USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 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 -21:sc= 0.0577 USER MOD Single : A 1 G O5' : rot 180:sc= -0.465 USER MOD Single : A 2 G O2' : rot -23:sc= 0.0449 USER MOD Single : A 3 U O2' : rot 180:sc= -0.304 USER MOD Single : A 4 A O2' : rot 180:sc= -1.34 USER MOD Single : A 5 U O2' : rot -80:sc= 0.314 USER MOD Single : A 6 C O2' : rot -87:sc= -2.06! USER MOD Single : A 7 A O2' : rot -126:sc= -0.307! USER MOD Single : A 8 C O2' : rot 165:sc= 1 USER MOD Single : A 9 G O2' : rot -17:sc= 0.0931 USER MOD Single : A 10 G O2' : rot -26:sc= 0.1 USER MOD Single : A 11 U O2' : rot 180:sc= -0.0181 USER MOD Single : A 12 A O2' : rot -16:sc= 0.0663 USER MOD Single : A 13 C O2' : rot 180:sc= -0.355 USER MOD Single : A 14 C O2' : rot -21:sc= 0.102 USER MOD Single : A 14 C O3' : rot 180:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.265 -5.503 -1.210 1.00 0.00 O ATOM 2 C5' G A 1 -10.785 -6.555 -2.026 1.00 0.00 C ATOM 3 C4' G A 1 -10.681 -6.197 -3.490 1.00 0.00 C ATOM 4 O4' G A 1 -11.446 -4.985 -3.737 1.00 0.00 O ATOM 5 C3' G A 1 -9.279 -5.861 -3.977 1.00 0.00 C ATOM 6 O3' G A 1 -8.548 -7.037 -4.313 1.00 0.00 O ATOM 7 C2' G A 1 -9.566 -4.971 -5.178 1.00 0.00 C ATOM 8 O2' G A 1 -9.994 -5.732 -6.292 1.00 0.00 O ATOM 9 C1' G A 1 -10.752 -4.162 -4.658 1.00 0.00 C ATOM 10 N9 G A 1 -10.362 -2.937 -3.967 1.00 0.00 N ATOM 11 C8 G A 1 -10.344 -2.731 -2.610 1.00 0.00 C ATOM 12 N7 G A 1 -9.947 -1.535 -2.275 1.00 0.00 N ATOM 13 C5 G A 1 -9.684 -0.910 -3.486 1.00 0.00 C ATOM 14 C6 G A 1 -9.221 0.402 -3.760 1.00 0.00 C ATOM 15 O6 G A 1 -8.942 1.303 -2.960 1.00 0.00 O ATOM 16 N1 G A 1 -9.089 0.624 -5.127 1.00 0.00 N ATOM 17 C2 G A 1 -9.369 -0.299 -6.106 1.00 0.00 C ATOM 18 N2 G A 1 -9.181 0.105 -7.371 1.00 0.00 N ATOM 19 N3 G A 1 -9.801 -1.527 -5.864 1.00 0.00 N ATOM 20 C4 G A 1 -9.935 -1.762 -4.542 1.00 0.00 C ATOM 0 H5' G A 1 -11.827 -6.743 -1.766 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.237 -7.477 -1.832 1.00 0.00 H new ATOM 0 H4' G A 1 -11.036 -7.086 -4.011 1.00 0.00 H new ATOM 0 H3' G A 1 -8.649 -5.374 -3.233 1.00 0.00 H new ATOM 0 H2' G A 1 -8.702 -4.396 -5.510 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.709 -6.663 -6.181 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.343 -5.753 -0.266 1.00 0.00 H new ATOM 0 H1' G A 1 -11.358 -3.865 -5.514 1.00 0.00 H new ATOM 0 H8 G A 1 -10.630 -3.485 -1.891 1.00 0.00 H new ATOM 0 H1 G A 1 -8.759 1.542 -5.425 1.00 0.00 H new ATOM 0 H21 G A 1 -9.371 -0.533 -8.144 1.00 0.00 H new ATOM 0 H22 G A 1 -8.848 1.050 -7.560 1.00 0.00 H new ATOM 32 P G A 2 -6.947 -7.057 -4.148 1.00 0.00 P ATOM 33 OP1 G A 2 -6.502 -8.456 -4.367 1.00 0.00 O ATOM 34 OP2 G A 2 -6.598 -6.368 -2.879 1.00 0.00 O ATOM 35 O5' G A 2 -6.413 -6.174 -5.361 1.00 0.00 O ATOM 36 C5' G A 2 -6.486 -6.657 -6.699 1.00 0.00 C ATOM 37 C4' G A 2 -5.978 -5.610 -7.662 1.00 0.00 C ATOM 38 O4' G A 2 -6.799 -4.417 -7.544 1.00 0.00 O ATOM 39 C3' G A 2 -4.560 -5.110 -7.416 1.00 0.00 C ATOM 40 O3' G A 2 -3.586 -5.975 -7.991 1.00 0.00 O ATOM 41 C2' G A 2 -4.592 -3.740 -8.077 1.00 0.00 C ATOM 42 O2' G A 2 -4.538 -3.850 -9.486 1.00 0.00 O ATOM 43 C1' G A 2 -5.986 -3.264 -7.676 1.00 0.00 C ATOM 44 N9 G A 2 -6.013 -2.535 -6.412 1.00 0.00 N ATOM 45 C8 G A 2 -6.417 -3.013 -5.189 1.00 0.00 C ATOM 46 N7 G A 2 -6.352 -2.121 -4.240 1.00 0.00 N ATOM 47 C5 G A 2 -5.861 -0.986 -4.872 1.00 0.00 C ATOM 48 C6 G A 2 -5.571 0.299 -4.351 1.00 0.00 C ATOM 49 O6 G A 2 -5.694 0.706 -3.190 1.00 0.00 O ATOM 50 N1 G A 2 -5.088 1.153 -5.337 1.00 0.00 N ATOM 51 C2 G A 2 -4.910 0.815 -6.657 1.00 0.00 C ATOM 52 N2 G A 2 -4.436 1.781 -7.456 1.00 0.00 N ATOM 53 N3 G A 2 -5.177 -0.381 -7.155 1.00 0.00 N ATOM 54 C4 G A 2 -5.645 -1.226 -6.213 1.00 0.00 C ATOM 0 H5' G A 2 -7.516 -6.917 -6.944 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.896 -7.568 -6.797 1.00 0.00 H new ATOM 0 H4' G A 2 -6.010 -6.111 -8.629 1.00 0.00 H new ATOM 0 H3' G A 2 -4.278 -5.073 -6.364 1.00 0.00 H new ATOM 0 H2' G A 2 -3.764 -3.094 -7.787 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.132 -4.707 -9.732 1.00 0.00 H new ATOM 0 H1' G A 2 -6.339 -2.575 -8.443 1.00 0.00 H new ATOM 0 H8 G A 2 -6.755 -4.026 -5.029 1.00 0.00 H new ATOM 0 H1 G A 2 -4.847 2.104 -5.059 1.00 0.00 H new ATOM 0 H21 G A 2 -4.282 1.593 -8.447 1.00 0.00 H new ATOM 0 H22 G A 2 -4.230 2.704 -7.073 1.00 0.00 H new ATOM 66 P U A 3 -2.130 -6.094 -7.320 1.00 0.00 P ATOM 67 OP1 U A 3 -1.363 -7.101 -8.095 1.00 0.00 O ATOM 68 OP2 U A 3 -2.304 -6.272 -5.856 1.00 0.00 O ATOM 69 O5' U A 3 -1.474 -4.666 -7.577 1.00 0.00 O ATOM 70 C5' U A 3 -1.158 -4.237 -8.897 1.00 0.00 C ATOM 71 C4' U A 3 -0.668 -2.809 -8.878 1.00 0.00 C ATOM 72 O4' U A 3 -1.710 -1.966 -8.321 1.00 0.00 O ATOM 73 C3' U A 3 0.539 -2.529 -7.994 1.00 0.00 C ATOM 74 O3' U A 3 1.761 -2.838 -8.655 1.00 0.00 O ATOM 75 C2' U A 3 0.396 -1.038 -7.716 1.00 0.00 C ATOM 76 O2' U A 3 0.833 -0.267 -8.819 1.00 0.00 O ATOM 77 C1' U A 3 -1.122 -0.900 -7.597 1.00 0.00 C ATOM 78 N1 U A 3 -1.607 -0.951 -6.211 1.00 0.00 N ATOM 79 C2 U A 3 -1.473 0.191 -5.443 1.00 0.00 C ATOM 80 O2 U A 3 -0.966 1.215 -5.866 1.00 0.00 O ATOM 81 N3 U A 3 -1.954 0.088 -4.162 1.00 0.00 N ATOM 82 C4 U A 3 -2.545 -1.015 -3.584 1.00 0.00 C ATOM 83 O4 U A 3 -2.927 -0.957 -2.415 1.00 0.00 O ATOM 84 C5 U A 3 -2.645 -2.152 -4.443 1.00 0.00 C ATOM 85 C6 U A 3 -2.178 -2.090 -5.694 1.00 0.00 C ATOM 0 H5' U A 3 -2.039 -4.319 -9.534 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.394 -4.886 -9.325 1.00 0.00 H new ATOM 0 H4' U A 3 -0.396 -2.612 -9.915 1.00 0.00 H new ATOM 0 H3' U A 3 0.569 -3.135 -7.089 1.00 0.00 H new ATOM 0 H2' U A 3 0.972 -0.703 -6.853 1.00 0.00 H new ATOM 0 HO2' U A 3 0.729 0.686 -8.614 1.00 0.00 H new ATOM 0 H1' U A 3 -1.398 0.078 -7.992 1.00 0.00 H new ATOM 0 H3 U A 3 -1.865 0.917 -3.574 1.00 0.00 H new ATOM 0 H5 U A 3 -3.099 -3.063 -4.081 1.00 0.00 H new ATOM 0 H6 U A 3 -2.252 -2.966 -6.321 1.00 0.00 H new ATOM 96 P A A 4 3.073 -3.177 -7.788 1.00 0.00 P ATOM 97 OP1 A A 4 4.131 -3.611 -8.736 1.00 0.00 O ATOM 98 OP2 A A 4 2.677 -4.073 -6.672 1.00 0.00 O ATOM 99 O5' A A 4 3.508 -1.773 -7.173 1.00 0.00 O ATOM 100 C5' A A 4 3.953 -0.712 -8.013 1.00 0.00 C ATOM 101 C4' A A 4 4.192 0.536 -7.195 1.00 0.00 C ATOM 102 O4' A A 4 2.949 0.916 -6.546 1.00 0.00 O ATOM 103 C3' A A 4 5.183 0.394 -6.049 1.00 0.00 C ATOM 104 O3' A A 4 6.527 0.574 -6.480 1.00 0.00 O ATOM 105 C2' A A 4 4.742 1.498 -5.097 1.00 0.00 C ATOM 106 O2' A A 4 5.198 2.764 -5.534 1.00 0.00 O ATOM 107 C1' A A 4 3.225 1.444 -5.260 1.00 0.00 C ATOM 108 N9 A A 4 2.565 0.605 -4.261 1.00 0.00 N ATOM 109 C8 A A 4 2.162 -0.702 -4.381 1.00 0.00 C ATOM 110 N7 A A 4 1.581 -1.176 -3.306 1.00 0.00 N ATOM 111 C5 A A 4 1.613 -0.113 -2.414 1.00 0.00 C ATOM 112 C6 A A 4 1.158 0.027 -1.091 1.00 0.00 C ATOM 113 N6 A A 4 0.555 -0.949 -0.408 1.00 0.00 N ATOM 114 N1 A A 4 1.346 1.220 -0.486 1.00 0.00 N ATOM 115 C2 A A 4 1.952 2.199 -1.171 1.00 0.00 C ATOM 116 N3 A A 4 2.422 2.188 -2.416 1.00 0.00 N ATOM 117 C4 A A 4 2.218 0.989 -2.989 1.00 0.00 C ATOM 0 H5' A A 4 3.209 -0.513 -8.785 1.00 0.00 H new ATOM 0 H5'' A A 4 4.871 -1.003 -8.523 1.00 0.00 H new ATOM 0 H4' A A 4 4.588 1.254 -7.914 1.00 0.00 H new ATOM 0 H3' A A 4 5.179 -0.598 -5.597 1.00 0.00 H new ATOM 0 H2' A A 4 5.115 1.367 -4.081 1.00 0.00 H new ATOM 0 HO2' A A 4 4.900 3.454 -4.905 1.00 0.00 H new ATOM 0 H1' A A 4 2.839 2.455 -5.130 1.00 0.00 H new ATOM 0 H8 A A 4 2.310 -1.285 -5.278 1.00 0.00 H new ATOM 0 H61 A A 4 0.247 -0.786 0.551 1.00 0.00 H new ATOM 0 H62 A A 4 0.402 -1.858 -0.845 1.00 0.00 H new ATOM 0 H2 A A 4 2.077 3.129 -0.637 1.00 0.00 H new ATOM 129 P U A 5 7.718 -0.192 -5.720 1.00 0.00 P ATOM 130 OP1 U A 5 8.982 0.141 -6.423 1.00 0.00 O ATOM 131 OP2 U A 5 7.324 -1.615 -5.553 1.00 0.00 O ATOM 132 O5' U A 5 7.758 0.487 -4.279 1.00 0.00 O ATOM 133 C5' U A 5 7.901 1.898 -4.134 1.00 0.00 C ATOM 134 C4' U A 5 7.683 2.295 -2.692 1.00 0.00 C ATOM 135 O4' U A 5 6.275 2.138 -2.373 1.00 0.00 O ATOM 136 C3' U A 5 8.419 1.439 -1.671 1.00 0.00 C ATOM 137 O3' U A 5 9.720 1.954 -1.413 1.00 0.00 O ATOM 138 C2' U A 5 7.520 1.516 -0.442 1.00 0.00 C ATOM 139 O2' U A 5 7.739 2.715 0.275 1.00 0.00 O ATOM 140 C1' U A 5 6.132 1.580 -1.081 1.00 0.00 C ATOM 141 N1 U A 5 5.475 0.273 -1.218 1.00 0.00 N ATOM 142 C2 U A 5 4.590 -0.113 -0.226 1.00 0.00 C ATOM 143 O2 U A 5 4.348 0.577 0.752 1.00 0.00 O ATOM 144 N3 U A 5 3.999 -1.337 -0.422 1.00 0.00 N ATOM 145 C4 U A 5 4.200 -2.195 -1.482 1.00 0.00 C ATOM 146 O4 U A 5 3.593 -3.267 -1.518 1.00 0.00 O ATOM 147 C5 U A 5 5.130 -1.724 -2.460 1.00 0.00 C ATOM 148 C6 U A 5 5.725 -0.538 -2.301 1.00 0.00 C ATOM 0 H5' U A 5 7.183 2.412 -4.774 1.00 0.00 H new ATOM 0 H5'' U A 5 8.895 2.206 -4.458 1.00 0.00 H new ATOM 0 H4' U A 5 8.057 3.316 -2.622 1.00 0.00 H new ATOM 0 H3' U A 5 8.586 0.415 -2.004 1.00 0.00 H new ATOM 0 H2' U A 5 7.679 0.696 0.258 1.00 0.00 H new ATOM 0 HO2' U A 5 8.543 2.623 0.828 1.00 0.00 H new ATOM 0 H1' U A 5 5.504 2.180 -0.423 1.00 0.00 H new ATOM 0 H3 U A 5 3.340 -1.644 0.294 1.00 0.00 H new ATOM 0 H5 U A 5 5.352 -2.327 -3.328 1.00 0.00 H new ATOM 0 H6 U A 5 6.428 -0.204 -3.050 1.00 0.00 H new ATOM 159 P C A 6 10.691 1.192 -0.384 1.00 0.00 P ATOM 160 OP1 C A 6 11.768 2.142 -0.007 1.00 0.00 O ATOM 161 OP2 C A 6 11.046 -0.127 -0.966 1.00 0.00 O ATOM 162 O5' C A 6 9.781 0.943 0.900 1.00 0.00 O ATOM 163 C5' C A 6 10.173 0.004 1.897 1.00 0.00 C ATOM 164 C4' C A 6 9.118 -0.085 2.976 1.00 0.00 C ATOM 165 O4' C A 6 7.803 -0.065 2.357 1.00 0.00 O ATOM 166 C3' C A 6 9.142 -1.369 3.792 1.00 0.00 C ATOM 167 O3' C A 6 10.036 -1.270 4.894 1.00 0.00 O ATOM 168 C2' C A 6 7.694 -1.514 4.242 1.00 0.00 C ATOM 169 O2' C A 6 7.409 -0.694 5.352 1.00 0.00 O ATOM 170 C1' C A 6 6.937 -0.954 3.040 1.00 0.00 C ATOM 171 N1 C A 6 6.500 -1.991 2.096 1.00 0.00 N ATOM 172 C2 C A 6 5.306 -2.675 2.340 1.00 0.00 C ATOM 173 O2 C A 6 4.645 -2.386 3.348 1.00 0.00 O ATOM 174 N3 C A 6 4.905 -3.631 1.471 1.00 0.00 N ATOM 175 C4 C A 6 5.647 -3.909 0.396 1.00 0.00 C ATOM 176 N4 C A 6 5.214 -4.861 -0.433 1.00 0.00 N ATOM 177 C5 C A 6 6.866 -3.223 0.124 1.00 0.00 C ATOM 178 C6 C A 6 7.251 -2.284 0.997 1.00 0.00 C ATOM 0 H5' C A 6 11.126 0.303 2.334 1.00 0.00 H new ATOM 0 H5'' C A 6 10.324 -0.976 1.444 1.00 0.00 H new ATOM 0 H4' C A 6 9.327 0.758 3.635 1.00 0.00 H new ATOM 0 H3' C A 6 9.498 -2.232 3.229 1.00 0.00 H new ATOM 0 H2' C A 6 7.447 -2.536 4.531 1.00 0.00 H new ATOM 0 HO2' C A 6 7.638 -1.170 6.178 1.00 0.00 H new ATOM 0 H1' C A 6 6.040 -0.461 3.414 1.00 0.00 H new ATOM 0 H41 C A 6 5.756 -5.099 -1.264 1.00 0.00 H new ATOM 0 H42 C A 6 4.341 -5.351 -0.236 1.00 0.00 H new ATOM 0 H5 C A 6 7.456 -3.451 -0.751 1.00 0.00 H new ATOM 0 H6 C A 6 8.174 -1.749 0.827 1.00 0.00 H new ATOM 190 P A A 7 10.534 -2.605 5.638 1.00 0.00 P ATOM 191 OP1 A A 7 11.362 -2.184 6.797 1.00 0.00 O ATOM 192 OP2 A A 7 11.109 -3.520 4.620 1.00 0.00 O ATOM 193 O5' A A 7 9.194 -3.259 6.199 1.00 0.00 O ATOM 194 C5' A A 7 9.134 -4.646 6.523 1.00 0.00 C ATOM 195 C4' A A 7 8.690 -4.827 7.957 1.00 0.00 C ATOM 196 O4' A A 7 9.036 -3.626 8.702 1.00 0.00 O ATOM 197 C3' A A 7 7.189 -5.013 8.164 1.00 0.00 C ATOM 198 O3' A A 7 6.918 -5.850 9.282 1.00 0.00 O ATOM 199 C2' A A 7 6.696 -3.591 8.391 1.00 0.00 C ATOM 200 O2' A A 7 5.545 -3.577 9.211 1.00 0.00 O ATOM 201 C1' A A 7 7.860 -3.002 9.179 1.00 0.00 C ATOM 202 N9 A A 7 8.016 -1.557 9.027 1.00 0.00 N ATOM 203 C8 A A 7 7.996 -0.831 7.863 1.00 0.00 C ATOM 204 N7 A A 7 8.172 0.456 8.039 1.00 0.00 N ATOM 205 C5 A A 7 8.316 0.588 9.413 1.00 0.00 C ATOM 206 C6 A A 7 8.531 1.704 10.240 1.00 0.00 C ATOM 207 N6 A A 7 8.647 2.953 9.783 1.00 0.00 N ATOM 208 N1 A A 7 8.626 1.491 11.570 1.00 0.00 N ATOM 209 C2 A A 7 8.513 0.238 12.029 1.00 0.00 C ATOM 210 N3 A A 7 8.311 -0.891 11.353 1.00 0.00 N ATOM 211 C4 A A 7 8.220 -0.644 10.035 1.00 0.00 C ATOM 0 H5' A A 7 10.112 -5.104 6.377 1.00 0.00 H new ATOM 0 H5'' A A 7 8.441 -5.154 5.853 1.00 0.00 H new ATOM 0 H4' A A 7 9.189 -5.737 8.289 1.00 0.00 H new ATOM 0 H3' A A 7 6.697 -5.504 7.325 1.00 0.00 H new ATOM 0 H2' A A 7 6.431 -3.069 7.471 1.00 0.00 H new ATOM 0 HO2' A A 7 4.826 -3.088 8.758 1.00 0.00 H new ATOM 0 H1' A A 7 7.667 -3.180 10.237 1.00 0.00 H new ATOM 0 H8 A A 7 7.849 -1.279 6.891 1.00 0.00 H new ATOM 0 H61 A A 7 8.803 3.722 10.435 1.00 0.00 H new ATOM 0 H62 A A 7 8.580 3.138 8.782 1.00 0.00 H new ATOM 0 H2 A A 7 8.598 0.128 13.100 1.00 0.00 H new ATOM 223 P C A 8 6.945 -7.447 9.109 1.00 0.00 P ATOM 224 OP1 C A 8 6.983 -8.041 10.470 1.00 0.00 O ATOM 225 OP2 C A 8 8.005 -7.794 8.128 1.00 0.00 O ATOM 226 O5' C A 8 5.531 -7.789 8.461 1.00 0.00 O ATOM 227 C5' C A 8 4.366 -7.046 8.809 1.00 0.00 C ATOM 228 C4' C A 8 3.250 -7.348 7.839 1.00 0.00 C ATOM 229 O4' C A 8 3.543 -6.681 6.578 1.00 0.00 O ATOM 230 C3' C A 8 3.083 -8.822 7.484 1.00 0.00 C ATOM 231 O3' C A 8 1.730 -9.143 7.179 1.00 0.00 O ATOM 232 C2' C A 8 3.977 -8.975 6.262 1.00 0.00 C ATOM 233 O2' C A 8 3.527 -10.024 5.427 1.00 0.00 O ATOM 234 C1' C A 8 3.728 -7.645 5.559 1.00 0.00 C ATOM 235 N1 C A 8 4.829 -7.201 4.690 1.00 0.00 N ATOM 236 C2 C A 8 5.255 -8.044 3.660 1.00 0.00 C ATOM 237 O2 C A 8 4.696 -9.141 3.514 1.00 0.00 O ATOM 238 N3 C A 8 6.263 -7.644 2.852 1.00 0.00 N ATOM 239 C4 C A 8 6.837 -6.455 3.043 1.00 0.00 C ATOM 240 N4 C A 8 7.826 -6.096 2.222 1.00 0.00 N ATOM 241 C5 C A 8 6.425 -5.577 4.086 1.00 0.00 C ATOM 242 C6 C A 8 5.427 -5.986 4.879 1.00 0.00 C ATOM 0 H5' C A 8 4.589 -5.979 8.798 1.00 0.00 H new ATOM 0 H5'' C A 8 4.055 -7.297 9.823 1.00 0.00 H new ATOM 0 H4' C A 8 2.341 -7.011 8.337 1.00 0.00 H new ATOM 0 H3' C A 8 3.348 -9.491 8.303 1.00 0.00 H new ATOM 0 H2' C A 8 5.016 -9.200 6.503 1.00 0.00 H new ATOM 0 HO2' C A 8 3.958 -9.952 4.550 1.00 0.00 H new ATOM 0 H1' C A 8 2.864 -7.768 4.906 1.00 0.00 H new ATOM 0 H41 C A 8 8.286 -5.193 2.341 1.00 0.00 H new ATOM 0 H42 C A 8 8.122 -6.724 1.475 1.00 0.00 H new ATOM 0 H5 C A 8 6.900 -4.618 4.232 1.00 0.00 H new ATOM 0 H6 C A 8 5.089 -5.346 5.681 1.00 0.00 H new ATOM 254 P G A 9 0.643 -9.236 8.359 1.00 0.00 P ATOM 255 OP1 G A 9 1.221 -8.587 9.563 1.00 0.00 O ATOM 256 OP2 G A 9 0.170 -10.641 8.440 1.00 0.00 O ATOM 257 O5' G A 9 -0.563 -8.336 7.836 1.00 0.00 O ATOM 258 C5' G A 9 -0.377 -6.952 7.552 1.00 0.00 C ATOM 259 C4' G A 9 -0.306 -6.165 8.840 1.00 0.00 C ATOM 260 O4' G A 9 1.080 -5.883 9.162 1.00 0.00 O ATOM 261 C3' G A 9 -0.955 -4.790 8.810 1.00 0.00 C ATOM 262 O3' G A 9 -2.362 -4.870 9.006 1.00 0.00 O ATOM 263 C2' G A 9 -0.252 -4.071 9.956 1.00 0.00 C ATOM 264 O2' G A 9 -0.808 -4.437 11.204 1.00 0.00 O ATOM 265 C1' G A 9 1.160 -4.655 9.864 1.00 0.00 C ATOM 266 N9 G A 9 2.111 -3.785 9.181 1.00 0.00 N ATOM 267 C8 G A 9 2.861 -2.790 9.753 1.00 0.00 C ATOM 268 N7 G A 9 3.629 -2.168 8.902 1.00 0.00 N ATOM 269 C5 G A 9 3.375 -2.795 7.691 1.00 0.00 C ATOM 270 C6 G A 9 3.917 -2.557 6.402 1.00 0.00 C ATOM 271 O6 G A 9 4.756 -1.714 6.062 1.00 0.00 O ATOM 272 N1 G A 9 3.383 -3.424 5.455 1.00 0.00 N ATOM 273 C2 G A 9 2.443 -4.392 5.712 1.00 0.00 C ATOM 274 N2 G A 9 2.046 -5.125 4.661 1.00 0.00 N ATOM 275 N3 G A 9 1.930 -4.625 6.909 1.00 0.00 N ATOM 276 C4 G A 9 2.437 -3.796 7.845 1.00 0.00 C ATOM 0 H5' G A 9 -1.199 -6.585 6.937 1.00 0.00 H new ATOM 0 H5'' G A 9 0.539 -6.810 6.978 1.00 0.00 H new ATOM 0 H4' G A 9 -0.834 -6.798 9.553 1.00 0.00 H new ATOM 0 H3' G A 9 -0.849 -4.276 7.855 1.00 0.00 H new ATOM 0 H2' G A 9 -0.319 -2.985 9.887 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.687 -4.847 11.063 1.00 0.00 H new ATOM 0 H1' G A 9 1.528 -4.780 10.882 1.00 0.00 H new ATOM 0 H8 G A 9 2.820 -2.546 10.804 1.00 0.00 H new ATOM 0 H1 G A 9 3.715 -3.334 4.495 1.00 0.00 H new ATOM 0 H21 G A 9 1.350 -5.860 4.786 1.00 0.00 H new ATOM 0 H22 G A 9 2.440 -4.947 3.737 1.00 0.00 H new ATOM 288 P G A 10 -3.301 -3.646 8.553 1.00 0.00 P ATOM 289 OP1 G A 10 -4.574 -3.759 9.307 1.00 0.00 O ATOM 290 OP2 G A 10 -3.329 -3.603 7.068 1.00 0.00 O ATOM 291 O5' G A 10 -2.529 -2.354 9.076 1.00 0.00 O ATOM 292 C5' G A 10 -2.557 -1.136 8.337 1.00 0.00 C ATOM 293 C4' G A 10 -1.384 -0.267 8.722 1.00 0.00 C ATOM 294 O4' G A 10 -0.158 -1.015 8.501 1.00 0.00 O ATOM 295 C3' G A 10 -1.223 1.000 7.895 1.00 0.00 C ATOM 296 O3' G A 10 -1.981 2.075 8.444 1.00 0.00 O ATOM 297 C2' G A 10 0.278 1.256 7.960 1.00 0.00 C ATOM 298 O2' G A 10 0.641 1.855 9.188 1.00 0.00 O ATOM 299 C1' G A 10 0.827 -0.170 7.935 1.00 0.00 C ATOM 300 N9 G A 10 1.132 -0.664 6.596 1.00 0.00 N ATOM 301 C8 G A 10 0.828 -1.903 6.089 1.00 0.00 C ATOM 302 N7 G A 10 1.225 -2.070 4.858 1.00 0.00 N ATOM 303 C5 G A 10 1.830 -0.864 4.528 1.00 0.00 C ATOM 304 C6 G A 10 2.450 -0.448 3.322 1.00 0.00 C ATOM 305 O6 G A 10 2.591 -1.082 2.269 1.00 0.00 O ATOM 306 N1 G A 10 2.933 0.853 3.417 1.00 0.00 N ATOM 307 C2 G A 10 2.833 1.652 4.529 1.00 0.00 C ATOM 308 N2 G A 10 3.364 2.880 4.424 1.00 0.00 N ATOM 309 N3 G A 10 2.257 1.277 5.661 1.00 0.00 N ATOM 310 C4 G A 10 1.781 0.015 5.590 1.00 0.00 C ATOM 0 H5' G A 10 -3.490 -0.607 8.529 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.526 -1.349 7.269 1.00 0.00 H new ATOM 0 H4' G A 10 -1.572 0.014 9.758 1.00 0.00 H new ATOM 0 H3' G A 10 -1.589 0.906 6.872 1.00 0.00 H new ATOM 0 H2' G A 10 0.638 1.916 7.171 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.127 2.342 9.554 1.00 0.00 H new ATOM 0 H1' G A 10 1.765 -0.168 8.491 1.00 0.00 H new ATOM 0 H8 G A 10 0.311 -2.665 6.654 1.00 0.00 H new ATOM 0 H1 G A 10 3.397 1.244 2.597 1.00 0.00 H new ATOM 0 H21 G A 10 3.323 3.523 5.215 1.00 0.00 H new ATOM 0 H22 G A 10 3.809 3.170 3.553 1.00 0.00 H new ATOM 322 P U A 11 -3.035 2.867 7.521 1.00 0.00 P ATOM 323 OP1 U A 11 -3.889 3.681 8.423 1.00 0.00 O ATOM 324 OP2 U A 11 -3.667 1.900 6.588 1.00 0.00 O ATOM 325 O5' U A 11 -2.125 3.861 6.672 1.00 0.00 O ATOM 326 C5' U A 11 -1.499 4.984 7.287 1.00 0.00 C ATOM 327 C4' U A 11 -0.601 5.683 6.296 1.00 0.00 C ATOM 328 O4' U A 11 0.476 4.776 5.935 1.00 0.00 O ATOM 329 C3' U A 11 -1.251 6.053 4.969 1.00 0.00 C ATOM 330 O3' U A 11 -1.899 7.319 5.033 1.00 0.00 O ATOM 331 C2' U A 11 -0.064 6.062 4.016 1.00 0.00 C ATOM 332 O2' U A 11 0.704 7.241 4.164 1.00 0.00 O ATOM 333 C1' U A 11 0.750 4.885 4.550 1.00 0.00 C ATOM 334 N1 U A 11 0.417 3.603 3.912 1.00 0.00 N ATOM 335 C2 U A 11 0.867 3.390 2.624 1.00 0.00 C ATOM 336 O2 U A 11 1.512 4.218 2.004 1.00 0.00 O ATOM 337 N3 U A 11 0.536 2.170 2.088 1.00 0.00 N ATOM 338 C4 U A 11 -0.185 1.164 2.697 1.00 0.00 C ATOM 339 O4 U A 11 -0.400 0.116 2.085 1.00 0.00 O ATOM 340 C5 U A 11 -0.618 1.465 4.024 1.00 0.00 C ATOM 341 C6 U A 11 -0.316 2.644 4.576 1.00 0.00 C ATOM 0 H5' U A 11 -0.918 4.659 8.150 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.256 5.676 7.655 1.00 0.00 H new ATOM 0 H4' U A 11 -0.296 6.601 6.799 1.00 0.00 H new ATOM 0 H3' U A 11 -2.041 5.367 4.664 1.00 0.00 H new ATOM 0 H2' U A 11 -0.352 6.007 2.966 1.00 0.00 H new ATOM 0 HO2' U A 11 1.460 7.219 3.541 1.00 0.00 H new ATOM 0 H1' U A 11 1.800 5.082 4.336 1.00 0.00 H new ATOM 0 H3 U A 11 0.858 1.988 1.137 1.00 0.00 H new ATOM 0 H5 U A 11 -1.190 0.739 4.582 1.00 0.00 H new ATOM 0 H6 U A 11 -0.659 2.852 5.579 1.00 0.00 H new ATOM 352 P A A 12 -3.168 7.617 4.089 1.00 0.00 P ATOM 353 OP1 A A 12 -3.727 8.929 4.501 1.00 0.00 O ATOM 354 OP2 A A 12 -4.042 6.416 4.086 1.00 0.00 O ATOM 355 O5' A A 12 -2.541 7.783 2.633 1.00 0.00 O ATOM 356 C5' A A 12 -1.673 8.872 2.331 1.00 0.00 C ATOM 357 C4' A A 12 -1.141 8.741 0.923 1.00 0.00 C ATOM 358 O4' A A 12 -0.406 7.491 0.813 1.00 0.00 O ATOM 359 C3' A A 12 -2.192 8.657 -0.175 1.00 0.00 C ATOM 360 O3' A A 12 -2.622 9.947 -0.597 1.00 0.00 O ATOM 361 C2' A A 12 -1.452 7.912 -1.278 1.00 0.00 C ATOM 362 O2' A A 12 -0.564 8.769 -1.969 1.00 0.00 O ATOM 363 C1' A A 12 -0.631 6.915 -0.461 1.00 0.00 C ATOM 364 N9 A A 12 -1.296 5.626 -0.277 1.00 0.00 N ATOM 365 C8 A A 12 -1.969 5.169 0.831 1.00 0.00 C ATOM 366 N7 A A 12 -2.452 3.959 0.693 1.00 0.00 N ATOM 367 C5 A A 12 -2.078 3.595 -0.593 1.00 0.00 C ATOM 368 C6 A A 12 -2.290 2.427 -1.343 1.00 0.00 C ATOM 369 N6 A A 12 -2.956 1.365 -0.886 1.00 0.00 N ATOM 370 N1 A A 12 -1.787 2.386 -2.596 1.00 0.00 N ATOM 371 C2 A A 12 -1.119 3.452 -3.054 1.00 0.00 C ATOM 372 N3 A A 12 -0.855 4.606 -2.445 1.00 0.00 N ATOM 373 C4 A A 12 -1.368 4.613 -1.202 1.00 0.00 C ATOM 0 H5' A A 12 -0.845 8.894 3.040 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.210 9.815 2.438 1.00 0.00 H new ATOM 0 H4' A A 12 -0.553 9.647 0.775 1.00 0.00 H new ATOM 0 H3' A A 12 -3.110 8.161 0.139 1.00 0.00 H new ATOM 0 H2' A A 12 -2.114 7.480 -2.029 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.794 9.702 -1.777 1.00 0.00 H new ATOM 0 H1' A A 12 0.293 6.718 -1.005 1.00 0.00 H new ATOM 0 H8 A A 12 -2.089 5.753 1.732 1.00 0.00 H new ATOM 0 H61 A A 12 -3.077 0.545 -1.480 1.00 0.00 H new ATOM 0 H62 A A 12 -3.344 1.374 0.057 1.00 0.00 H new ATOM 0 H2 A A 12 -0.740 3.363 -4.061 1.00 0.00 H new ATOM 385 P C A 13 -4.071 10.124 -1.272 1.00 0.00 P ATOM 386 OP1 C A 13 -4.318 11.581 -1.412 1.00 0.00 O ATOM 387 OP2 C A 13 -5.041 9.285 -0.524 1.00 0.00 O ATOM 388 O5' C A 13 -3.903 9.511 -2.734 1.00 0.00 O ATOM 389 C5' C A 13 -3.133 10.184 -3.726 1.00 0.00 C ATOM 390 C4' C A 13 -3.158 9.407 -5.023 1.00 0.00 C ATOM 391 O4' C A 13 -2.586 8.090 -4.797 1.00 0.00 O ATOM 392 C3' C A 13 -4.540 9.122 -5.592 1.00 0.00 C ATOM 393 O3' C A 13 -5.028 10.202 -6.379 1.00 0.00 O ATOM 394 C2' C A 13 -4.296 7.876 -6.433 1.00 0.00 C ATOM 395 O2' C A 13 -3.681 8.202 -7.665 1.00 0.00 O ATOM 396 C1' C A 13 -3.284 7.127 -5.568 1.00 0.00 C ATOM 397 N1 C A 13 -3.899 6.154 -4.652 1.00 0.00 N ATOM 398 C2 C A 13 -4.151 4.860 -5.113 1.00 0.00 C ATOM 399 O2 C A 13 -3.865 4.575 -6.285 1.00 0.00 O ATOM 400 N3 C A 13 -4.698 3.953 -4.271 1.00 0.00 N ATOM 401 C4 C A 13 -4.994 4.302 -3.017 1.00 0.00 C ATOM 402 N4 C A 13 -5.531 3.375 -2.221 1.00 0.00 N ATOM 403 C5 C A 13 -4.756 5.617 -2.523 1.00 0.00 C ATOM 404 C6 C A 13 -4.215 6.504 -3.369 1.00 0.00 C ATOM 0 H5' C A 13 -2.105 10.299 -3.382 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.530 11.186 -3.887 1.00 0.00 H new ATOM 0 H4' C A 13 -2.613 10.041 -5.722 1.00 0.00 H new ATOM 0 H3' C A 13 -5.302 8.987 -4.824 1.00 0.00 H new ATOM 0 H2' C A 13 -5.209 7.332 -6.675 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.535 7.384 -8.184 1.00 0.00 H new ATOM 0 H1' C A 13 -2.631 6.563 -6.234 1.00 0.00 H new ATOM 0 H41 C A 13 -5.770 3.607 -1.257 1.00 0.00 H new ATOM 0 H42 C A 13 -5.703 2.435 -2.577 1.00 0.00 H new ATOM 0 H5 C A 13 -5.002 5.888 -1.507 1.00 0.00 H new ATOM 0 H6 C A 13 -4.025 7.512 -3.032 1.00 0.00 H new ATOM 416 P C A 14 -6.613 10.449 -6.495 1.00 0.00 P ATOM 417 OP1 C A 14 -6.813 11.664 -7.325 1.00 0.00 O ATOM 418 OP2 C A 14 -7.197 10.387 -5.132 1.00 0.00 O ATOM 419 O5' C A 14 -7.138 9.193 -7.323 1.00 0.00 O ATOM 420 C5' C A 14 -6.740 8.989 -8.675 1.00 0.00 C ATOM 421 C4' C A 14 -7.318 7.694 -9.198 1.00 0.00 C ATOM 422 O4' C A 14 -6.737 6.583 -8.469 1.00 0.00 O ATOM 423 C3' C A 14 -8.815 7.517 -9.000 1.00 0.00 C ATOM 424 O3' C A 14 -9.578 8.174 -10.014 1.00 0.00 O ATOM 425 C2' C A 14 -8.976 6.001 -9.045 1.00 0.00 C ATOM 426 O2' C A 14 -8.985 5.529 -10.379 1.00 0.00 O ATOM 427 C1' C A 14 -7.682 5.532 -8.375 1.00 0.00 C ATOM 428 N1 C A 14 -7.847 5.183 -6.955 1.00 0.00 N ATOM 429 C2 C A 14 -8.153 3.861 -6.615 1.00 0.00 C ATOM 430 O2 C A 14 -8.281 3.024 -7.520 1.00 0.00 O ATOM 431 N3 C A 14 -8.300 3.531 -5.311 1.00 0.00 N ATOM 432 C4 C A 14 -8.154 4.464 -4.366 1.00 0.00 C ATOM 433 N4 C A 14 -8.306 4.095 -3.093 1.00 0.00 N ATOM 434 C5 C A 14 -7.844 5.818 -4.685 1.00 0.00 C ATOM 435 C6 C A 14 -7.702 6.130 -5.980 1.00 0.00 C ATOM 0 H5' C A 14 -5.652 8.964 -8.742 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.078 9.822 -9.291 1.00 0.00 H new ATOM 0 H4' C A 14 -7.098 7.722 -10.265 1.00 0.00 H new ATOM 0 H3' C A 14 -9.182 7.962 -8.075 1.00 0.00 H new ATOM 0 H2' C A 14 -9.899 5.655 -8.580 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.215 6.264 -10.985 1.00 0.00 H new ATOM 0 HO3' C A 14 -10.533 8.032 -9.848 1.00 0.00 H new ATOM 0 H1' C A 14 -7.358 4.627 -8.889 1.00 0.00 H new ATOM 0 H41 C A 14 -8.201 4.782 -2.347 1.00 0.00 H new ATOM 0 H42 C A 14 -8.527 3.125 -2.866 1.00 0.00 H new ATOM 0 H5 C A 14 -7.728 6.564 -3.912 1.00 0.00 H new ATOM 0 H6 C A 14 -7.469 7.147 -6.258 1.00 0.00 H new TER 448 C A 14