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 -20:sc= 0.0684 USER MOD Single : A 1 G O5' : rot 180:sc= -0.538 USER MOD Single : A 2 G O2' : rot 180:sc= -0.109 USER MOD Single : A 3 U O2' : rot 180:sc= -0.264 USER MOD Single : A 4 A O2' : rot -20:sc= 0.127 USER MOD Single : A 5 U O2' : rot -24:sc= 0.129 USER MOD Single : A 6 C O2' : rot -159:sc= -2.85! USER MOD Single : A 7 A O2' : rot -119:sc= 1.84 USER MOD Single : A 8 C O2' : rot 143:sc= 1.12 USER MOD Single : A 9 G O2' : rot -22:sc= 0.111 USER MOD Single : A 10 G O2' : rot -28:sc= 0.107 USER MOD Single : A 11 U O2' : rot -16:sc= 0.0563 USER MOD Single : A 12 A O2' : rot 180:sc= 0 USER MOD Single : A 13 C O2' : rot 180:sc= -0.251 USER MOD Single : A 14 C O2' : rot -27:sc= 0.1 USER MOD Single : A 14 C O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.209 -5.574 -1.269 1.00 0.00 O ATOM 2 C5' G A 1 -10.823 -6.561 -2.100 1.00 0.00 C ATOM 3 C4' G A 1 -10.697 -6.187 -3.558 1.00 0.00 C ATOM 4 O4' G A 1 -11.461 -4.973 -3.802 1.00 0.00 O ATOM 5 C3' G A 1 -9.288 -5.846 -4.022 1.00 0.00 C ATOM 6 O3' G A 1 -8.559 -7.019 -4.374 1.00 0.00 O ATOM 7 C2' G A 1 -9.554 -4.931 -5.209 1.00 0.00 C ATOM 8 O2' G A 1 -9.955 -5.671 -6.346 1.00 0.00 O ATOM 9 C1' G A 1 -10.753 -4.134 -4.697 1.00 0.00 C ATOM 10 N9 G A 1 -10.385 -2.916 -3.981 1.00 0.00 N ATOM 11 C8 G A 1 -10.301 -2.757 -2.620 1.00 0.00 C ATOM 12 N7 G A 1 -9.949 -1.553 -2.262 1.00 0.00 N ATOM 13 C5 G A 1 -9.788 -0.873 -3.462 1.00 0.00 C ATOM 14 C6 G A 1 -9.412 0.472 -3.711 1.00 0.00 C ATOM 15 O6 G A 1 -9.137 1.360 -2.894 1.00 0.00 O ATOM 16 N1 G A 1 -9.369 0.748 -5.074 1.00 0.00 N ATOM 17 C2 G A 1 -9.654 -0.154 -6.070 1.00 0.00 C ATOM 18 N2 G A 1 -9.557 0.304 -7.327 1.00 0.00 N ATOM 19 N3 G A 1 -10.007 -1.412 -5.852 1.00 0.00 N ATOM 20 C4 G A 1 -10.053 -1.700 -4.534 1.00 0.00 C ATOM 0 H5' G A 1 -11.876 -6.662 -1.835 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.356 -7.531 -1.927 1.00 0.00 H new ATOM 0 H4' G A 1 -11.043 -7.070 -4.095 1.00 0.00 H new ATOM 0 H3' G A 1 -8.667 -5.375 -3.260 1.00 0.00 H new ATOM 0 H2' G A 1 -8.686 -4.345 -5.511 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.671 -6.604 -6.246 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.303 -5.834 -0.329 1.00 0.00 H new ATOM 0 H1' G A 1 -11.342 -3.827 -5.561 1.00 0.00 H new ATOM 0 H8 G A 1 -10.506 -3.550 -1.916 1.00 0.00 H new ATOM 0 H1 G A 1 -9.106 1.692 -5.355 1.00 0.00 H new ATOM 0 H21 G A 1 -9.756 -0.316 -8.112 1.00 0.00 H new ATOM 0 H22 G A 1 -9.285 1.272 -7.497 1.00 0.00 H new ATOM 32 P G A 2 -6.961 -7.053 -4.193 1.00 0.00 P ATOM 33 OP1 G A 2 -6.519 -8.449 -4.437 1.00 0.00 O ATOM 34 OP2 G A 2 -6.620 -6.390 -2.908 1.00 0.00 O ATOM 35 O5' G A 2 -6.411 -6.148 -5.384 1.00 0.00 O ATOM 36 C5' G A 2 -6.475 -6.604 -6.733 1.00 0.00 C ATOM 37 C4' G A 2 -5.940 -5.546 -7.669 1.00 0.00 C ATOM 38 O4' G A 2 -6.746 -4.343 -7.532 1.00 0.00 O ATOM 39 C3' G A 2 -4.518 -5.075 -7.397 1.00 0.00 C ATOM 40 O3' G A 2 -3.553 -5.937 -7.990 1.00 0.00 O ATOM 41 C2' G A 2 -4.521 -3.683 -8.011 1.00 0.00 C ATOM 42 O2' G A 2 -4.452 -3.745 -9.423 1.00 0.00 O ATOM 43 C1' G A 2 -5.914 -3.199 -7.613 1.00 0.00 C ATOM 44 N9 G A 2 -5.951 -2.522 -6.321 1.00 0.00 N ATOM 45 C8 G A 2 -6.310 -3.069 -5.114 1.00 0.00 C ATOM 46 N7 G A 2 -6.268 -2.216 -4.129 1.00 0.00 N ATOM 47 C5 G A 2 -5.843 -1.034 -4.718 1.00 0.00 C ATOM 48 C6 G A 2 -5.605 0.241 -4.146 1.00 0.00 C ATOM 49 O6 G A 2 -5.725 0.591 -2.966 1.00 0.00 O ATOM 50 N1 G A 2 -5.184 1.159 -5.102 1.00 0.00 N ATOM 51 C2 G A 2 -5.016 0.887 -6.438 1.00 0.00 C ATOM 52 N2 G A 2 -4.607 1.910 -7.203 1.00 0.00 N ATOM 53 N3 G A 2 -5.232 -0.299 -6.984 1.00 0.00 N ATOM 54 C4 G A 2 -5.641 -1.206 -6.072 1.00 0.00 C ATOM 0 H5' G A 2 -7.506 -6.843 -6.995 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.897 -7.522 -6.842 1.00 0.00 H new ATOM 0 H4' G A 2 -5.968 -6.024 -8.648 1.00 0.00 H new ATOM 0 H3' G A 2 -4.245 -5.075 -6.342 1.00 0.00 H new ATOM 0 H2' G A 2 -3.686 -3.061 -7.688 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.457 -2.837 -9.791 1.00 0.00 H new ATOM 0 H1' G A 2 -6.242 -2.476 -8.360 1.00 0.00 H new ATOM 0 H8 G A 2 -6.598 -4.103 -4.993 1.00 0.00 H new ATOM 0 H1 G A 2 -4.984 2.108 -4.787 1.00 0.00 H new ATOM 0 H21 G A 2 -4.463 1.773 -8.204 1.00 0.00 H new ATOM 0 H22 G A 2 -4.440 2.825 -6.784 1.00 0.00 H new ATOM 66 P U A 3 -2.090 -6.065 -7.335 1.00 0.00 P ATOM 67 OP1 U A 3 -1.331 -7.067 -8.127 1.00 0.00 O ATOM 68 OP2 U A 3 -2.246 -6.252 -5.871 1.00 0.00 O ATOM 69 O5' U A 3 -1.442 -4.634 -7.592 1.00 0.00 O ATOM 70 C5' U A 3 -1.156 -4.193 -8.914 1.00 0.00 C ATOM 71 C4' U A 3 -0.670 -2.764 -8.892 1.00 0.00 C ATOM 72 O4' U A 3 -1.704 -1.933 -8.305 1.00 0.00 O ATOM 73 C3' U A 3 0.555 -2.478 -8.036 1.00 0.00 C ATOM 74 O3' U A 3 1.757 -2.788 -8.732 1.00 0.00 O ATOM 75 C2' U A 3 0.409 -0.989 -7.747 1.00 0.00 C ATOM 76 O2' U A 3 0.829 -0.211 -8.851 1.00 0.00 O ATOM 77 C1' U A 3 -1.108 -0.854 -7.608 1.00 0.00 C ATOM 78 N1 U A 3 -1.580 -0.880 -6.216 1.00 0.00 N ATOM 79 C2 U A 3 -1.513 0.298 -5.495 1.00 0.00 C ATOM 80 O2 U A 3 -1.067 1.333 -5.960 1.00 0.00 O ATOM 81 N3 U A 3 -1.988 0.219 -4.209 1.00 0.00 N ATOM 82 C4 U A 3 -2.512 -0.894 -3.587 1.00 0.00 C ATOM 83 O4 U A 3 -2.906 -0.810 -2.423 1.00 0.00 O ATOM 84 C5 U A 3 -2.540 -2.070 -4.397 1.00 0.00 C ATOM 85 C6 U A 3 -2.078 -2.031 -5.651 1.00 0.00 C ATOM 0 H5' U A 3 -2.050 -4.272 -9.533 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.399 -4.836 -9.364 1.00 0.00 H new ATOM 0 H4' U A 3 -0.419 -2.561 -9.933 1.00 0.00 H new ATOM 0 H3' U A 3 0.614 -3.079 -7.129 1.00 0.00 H new ATOM 0 H2' U A 3 0.994 -0.658 -6.889 1.00 0.00 H new ATOM 0 HO2' U A 3 0.724 0.740 -8.640 1.00 0.00 H new ATOM 0 H1' U A 3 -1.388 0.118 -8.015 1.00 0.00 H new ATOM 0 H3 U A 3 -1.949 1.075 -3.655 1.00 0.00 H new ATOM 0 H5 U A 3 -2.935 -2.992 -3.996 1.00 0.00 H new ATOM 0 H6 U A 3 -2.096 -2.935 -6.241 1.00 0.00 H new ATOM 96 P A A 4 3.097 -3.123 -7.908 1.00 0.00 P ATOM 97 OP1 A A 4 4.109 -3.604 -8.883 1.00 0.00 O ATOM 98 OP2 A A 4 2.733 -3.975 -6.747 1.00 0.00 O ATOM 99 O5' A A 4 3.575 -1.706 -7.358 1.00 0.00 O ATOM 100 C5' A A 4 3.991 -0.681 -8.256 1.00 0.00 C ATOM 101 C4' A A 4 4.304 0.587 -7.496 1.00 0.00 C ATOM 102 O4' A A 4 3.104 1.017 -6.799 1.00 0.00 O ATOM 103 C3' A A 4 5.362 0.461 -6.407 1.00 0.00 C ATOM 104 O3' A A 4 6.671 0.664 -6.928 1.00 0.00 O ATOM 105 C2' A A 4 4.967 1.553 -5.421 1.00 0.00 C ATOM 106 O2' A A 4 5.407 2.823 -5.862 1.00 0.00 O ATOM 107 C1' A A 4 3.443 1.509 -5.515 1.00 0.00 C ATOM 108 N9 A A 4 2.814 0.650 -4.513 1.00 0.00 N ATOM 109 C8 A A 4 2.457 -0.670 -4.635 1.00 0.00 C ATOM 110 N7 A A 4 1.889 -1.165 -3.561 1.00 0.00 N ATOM 111 C5 A A 4 1.881 -0.101 -2.669 1.00 0.00 C ATOM 112 C6 A A 4 1.416 0.022 -1.349 1.00 0.00 C ATOM 113 N6 A A 4 0.846 -0.975 -0.667 1.00 0.00 N ATOM 114 N1 A A 4 1.557 1.221 -0.743 1.00 0.00 N ATOM 115 C2 A A 4 2.130 2.221 -1.426 1.00 0.00 C ATOM 116 N3 A A 4 2.608 2.226 -2.668 1.00 0.00 N ATOM 117 C4 A A 4 2.450 1.021 -3.242 1.00 0.00 C ATOM 0 H5' A A 4 3.207 -0.490 -8.989 1.00 0.00 H new ATOM 0 H5'' A A 4 4.871 -1.008 -8.809 1.00 0.00 H new ATOM 0 H4' A A 4 4.676 1.274 -8.256 1.00 0.00 H new ATOM 0 H3' A A 4 5.398 -0.529 -5.952 1.00 0.00 H new ATOM 0 H2' A A 4 5.384 1.404 -4.425 1.00 0.00 H new ATOM 0 HO2' A A 4 6.133 2.711 -6.511 1.00 0.00 H new ATOM 0 H1' A A 4 3.077 2.520 -5.337 1.00 0.00 H new ATOM 0 H8 A A 4 2.628 -1.247 -5.532 1.00 0.00 H new ATOM 0 H61 A A 4 0.529 -0.822 0.290 1.00 0.00 H new ATOM 0 H62 A A 4 0.728 -1.889 -1.103 1.00 0.00 H new ATOM 0 H2 A A 4 2.216 3.156 -0.893 1.00 0.00 H new ATOM 129 P U A 5 7.940 0.041 -6.164 1.00 0.00 P ATOM 130 OP1 U A 5 9.124 0.241 -7.039 1.00 0.00 O ATOM 131 OP2 U A 5 7.591 -1.326 -5.704 1.00 0.00 O ATOM 132 O5' U A 5 8.110 0.974 -4.883 1.00 0.00 O ATOM 133 C5' U A 5 8.875 0.546 -3.761 1.00 0.00 C ATOM 134 C4' U A 5 8.403 1.253 -2.510 1.00 0.00 C ATOM 135 O4' U A 5 6.962 1.419 -2.588 1.00 0.00 O ATOM 136 C3' U A 5 8.641 0.500 -1.207 1.00 0.00 C ATOM 137 O3' U A 5 9.927 0.792 -0.670 1.00 0.00 O ATOM 138 C2' U A 5 7.515 1.007 -0.315 1.00 0.00 C ATOM 139 O2' U A 5 7.820 2.281 0.220 1.00 0.00 O ATOM 140 C1' U A 5 6.378 1.165 -1.323 1.00 0.00 C ATOM 141 N1 U A 5 5.523 -0.024 -1.445 1.00 0.00 N ATOM 142 C2 U A 5 4.634 -0.290 -0.419 1.00 0.00 C ATOM 143 O2 U A 5 4.536 0.413 0.576 1.00 0.00 O ATOM 144 N3 U A 5 3.864 -1.413 -0.600 1.00 0.00 N ATOM 145 C4 U A 5 3.892 -2.276 -1.674 1.00 0.00 C ATOM 146 O4 U A 5 3.134 -3.247 -1.692 1.00 0.00 O ATOM 147 C5 U A 5 4.837 -1.931 -2.689 1.00 0.00 C ATOM 148 C6 U A 5 5.603 -0.845 -2.548 1.00 0.00 C ATOM 0 H5' U A 5 9.931 0.756 -3.930 1.00 0.00 H new ATOM 0 H5'' U A 5 8.780 -0.533 -3.636 1.00 0.00 H new ATOM 0 H4' U A 5 8.976 2.180 -2.482 1.00 0.00 H new ATOM 0 H3' U A 5 8.633 -0.584 -1.320 1.00 0.00 H new ATOM 0 H2' U A 5 7.310 0.352 0.532 1.00 0.00 H new ATOM 0 HO2' U A 5 8.792 2.402 0.242 1.00 0.00 H new ATOM 0 H1' U A 5 5.741 1.977 -0.972 1.00 0.00 H new ATOM 0 H3 U A 5 3.199 -1.632 0.142 1.00 0.00 H new ATOM 0 H5 U A 5 4.932 -2.548 -3.570 1.00 0.00 H new ATOM 0 H6 U A 5 6.310 -0.602 -3.327 1.00 0.00 H new ATOM 159 P C A 6 10.823 -0.389 -0.048 1.00 0.00 P ATOM 160 OP1 C A 6 12.176 0.169 0.204 1.00 0.00 O ATOM 161 OP2 C A 6 10.675 -1.595 -0.902 1.00 0.00 O ATOM 162 O5' C A 6 10.142 -0.687 1.361 1.00 0.00 O ATOM 163 C5' C A 6 9.987 0.344 2.331 1.00 0.00 C ATOM 164 C4' C A 6 8.936 -0.048 3.342 1.00 0.00 C ATOM 165 O4' C A 6 7.645 -0.100 2.681 1.00 0.00 O ATOM 166 C3' C A 6 9.104 -1.432 3.951 1.00 0.00 C ATOM 167 O3' C A 6 9.993 -1.409 5.065 1.00 0.00 O ATOM 168 C2' C A 6 7.679 -1.789 4.358 1.00 0.00 C ATOM 169 O2' C A 6 7.325 -1.165 5.576 1.00 0.00 O ATOM 170 C1' C A 6 6.868 -1.148 3.231 1.00 0.00 C ATOM 171 N1 C A 6 6.522 -2.088 2.153 1.00 0.00 N ATOM 172 C2 C A 6 5.316 -2.788 2.229 1.00 0.00 C ATOM 173 O2 C A 6 4.573 -2.598 3.203 1.00 0.00 O ATOM 174 N3 C A 6 4.991 -3.653 1.241 1.00 0.00 N ATOM 175 C4 C A 6 5.820 -3.829 0.210 1.00 0.00 C ATOM 176 N4 C A 6 5.459 -4.693 -0.742 1.00 0.00 N ATOM 177 C5 C A 6 7.056 -3.128 0.108 1.00 0.00 C ATOM 178 C6 C A 6 7.364 -2.276 1.093 1.00 0.00 C ATOM 0 H5' C A 6 9.702 1.275 1.841 1.00 0.00 H new ATOM 0 H5'' C A 6 10.937 0.526 2.834 1.00 0.00 H new ATOM 0 H4' C A 6 9.026 0.699 4.131 1.00 0.00 H new ATOM 0 H3' C A 6 9.547 -2.159 3.270 1.00 0.00 H new ATOM 0 H2' C A 6 7.528 -2.860 4.497 1.00 0.00 H new ATOM 0 HO2' C A 6 6.572 -1.643 5.982 1.00 0.00 H new ATOM 0 H1' C A 6 5.929 -0.795 3.658 1.00 0.00 H new ATOM 0 H41 C A 6 6.069 -4.852 -1.544 1.00 0.00 H new ATOM 0 H42 C A 6 4.574 -5.194 -0.667 1.00 0.00 H new ATOM 0 H5 C A 6 7.719 -3.278 -0.731 1.00 0.00 H new ATOM 0 H6 C A 6 8.294 -1.728 1.050 1.00 0.00 H new ATOM 190 P A A 7 10.994 -2.644 5.321 1.00 0.00 P ATOM 191 OP1 A A 7 12.353 -2.076 5.509 1.00 0.00 O ATOM 192 OP2 A A 7 10.768 -3.673 4.274 1.00 0.00 O ATOM 193 O5' A A 7 10.517 -3.248 6.716 1.00 0.00 O ATOM 194 C5' A A 7 9.370 -4.088 6.793 1.00 0.00 C ATOM 195 C4' A A 7 9.043 -4.396 8.234 1.00 0.00 C ATOM 196 O4' A A 7 9.104 -3.155 8.989 1.00 0.00 O ATOM 197 C3' A A 7 7.640 -4.949 8.463 1.00 0.00 C ATOM 198 O3' A A 7 7.607 -5.859 9.558 1.00 0.00 O ATOM 199 C2' A A 7 6.817 -3.696 8.738 1.00 0.00 C ATOM 200 O2' A A 7 5.727 -3.976 9.594 1.00 0.00 O ATOM 201 C1' A A 7 7.824 -2.840 9.498 1.00 0.00 C ATOM 202 N9 A A 7 7.615 -1.401 9.341 1.00 0.00 N ATOM 203 C8 A A 7 7.449 -0.704 8.171 1.00 0.00 C ATOM 204 N7 A A 7 7.285 0.585 8.342 1.00 0.00 N ATOM 205 C5 A A 7 7.347 0.749 9.719 1.00 0.00 C ATOM 206 C6 A A 7 7.245 1.883 10.543 1.00 0.00 C ATOM 207 N6 A A 7 7.052 3.120 10.080 1.00 0.00 N ATOM 208 N1 A A 7 7.350 1.701 11.878 1.00 0.00 N ATOM 209 C2 A A 7 7.545 0.460 12.342 1.00 0.00 C ATOM 210 N3 A A 7 7.657 -0.683 11.669 1.00 0.00 N ATOM 211 C4 A A 7 7.548 -0.467 10.347 1.00 0.00 C ATOM 0 H5' A A 7 9.552 -5.014 6.248 1.00 0.00 H new ATOM 0 H5'' A A 7 8.520 -3.599 6.316 1.00 0.00 H new ATOM 0 H4' A A 7 9.763 -5.153 8.545 1.00 0.00 H new ATOM 0 H3' A A 7 7.263 -5.526 7.618 1.00 0.00 H new ATOM 0 H2' A A 7 6.398 -3.248 7.837 1.00 0.00 H new ATOM 0 HO2' A A 7 4.887 -3.779 9.129 1.00 0.00 H new ATOM 0 H1' A A 7 7.711 -3.059 10.560 1.00 0.00 H new ATOM 0 H8 A A 7 7.453 -1.174 7.199 1.00 0.00 H new ATOM 0 H61 A A 7 6.986 3.903 10.730 1.00 0.00 H new ATOM 0 H62 A A 7 6.970 3.282 9.076 1.00 0.00 H new ATOM 0 H2 A A 7 7.622 0.374 13.416 1.00 0.00 H new ATOM 223 P C A 8 6.754 -7.218 9.445 1.00 0.00 P ATOM 224 OP1 C A 8 6.285 -7.557 10.812 1.00 0.00 O ATOM 225 OP2 C A 8 7.555 -8.207 8.679 1.00 0.00 O ATOM 226 O5' C A 8 5.488 -6.814 8.564 1.00 0.00 O ATOM 227 C5' C A 8 4.172 -6.831 9.115 1.00 0.00 C ATOM 228 C4' C A 8 3.176 -7.292 8.076 1.00 0.00 C ATOM 229 O4' C A 8 3.539 -6.715 6.790 1.00 0.00 O ATOM 230 C3' C A 8 3.131 -8.799 7.839 1.00 0.00 C ATOM 231 O3' C A 8 1.836 -9.235 7.443 1.00 0.00 O ATOM 232 C2' C A 8 4.145 -8.989 6.719 1.00 0.00 C ATOM 233 O2' C A 8 3.848 -10.136 5.946 1.00 0.00 O ATOM 234 C1' C A 8 3.871 -7.747 5.880 1.00 0.00 C ATOM 235 N1 C A 8 5.012 -7.301 5.067 1.00 0.00 N ATOM 236 C2 C A 8 5.335 -8.008 3.907 1.00 0.00 C ATOM 237 O2 C A 8 4.650 -8.994 3.596 1.00 0.00 O ATOM 238 N3 C A 8 6.383 -7.600 3.154 1.00 0.00 N ATOM 239 C4 C A 8 7.095 -6.534 3.528 1.00 0.00 C ATOM 240 N4 C A 8 8.118 -6.159 2.756 1.00 0.00 N ATOM 241 C5 C A 8 6.791 -5.801 4.710 1.00 0.00 C ATOM 242 C6 C A 8 5.748 -6.212 5.439 1.00 0.00 C ATOM 0 H5' C A 8 3.905 -5.835 9.468 1.00 0.00 H new ATOM 0 H5'' C A 8 4.140 -7.495 9.979 1.00 0.00 H new ATOM 0 H4' C A 8 2.207 -6.977 8.463 1.00 0.00 H new ATOM 0 H3' C A 8 3.355 -9.379 8.734 1.00 0.00 H new ATOM 0 H2' C A 8 5.169 -9.114 7.070 1.00 0.00 H new ATOM 0 HO2' C A 8 4.048 -9.956 5.004 1.00 0.00 H new ATOM 0 H1' C A 8 3.076 -7.987 5.174 1.00 0.00 H new ATOM 0 H41 C A 8 8.681 -5.349 3.014 1.00 0.00 H new ATOM 0 H42 C A 8 8.336 -6.683 1.908 1.00 0.00 H new ATOM 0 H5 C A 8 7.380 -4.946 5.007 1.00 0.00 H new ATOM 0 H6 C A 8 5.483 -5.674 6.337 1.00 0.00 H new ATOM 254 P G A 9 0.643 -9.282 8.518 1.00 0.00 P ATOM 255 OP1 G A 9 1.055 -8.476 9.695 1.00 0.00 O ATOM 256 OP2 G A 9 0.247 -10.701 8.706 1.00 0.00 O ATOM 257 O5' G A 9 -0.555 -8.526 7.789 1.00 0.00 O ATOM 258 C5' G A 9 -0.438 -7.156 7.412 1.00 0.00 C ATOM 259 C4' G A 9 -0.580 -6.271 8.628 1.00 0.00 C ATOM 260 O4' G A 9 0.730 -6.012 9.194 1.00 0.00 O ATOM 261 C3' G A 9 -1.145 -4.882 8.374 1.00 0.00 C ATOM 262 O3' G A 9 -2.566 -4.898 8.305 1.00 0.00 O ATOM 263 C2' G A 9 -0.635 -4.094 9.576 1.00 0.00 C ATOM 264 O2' G A 9 -1.435 -4.331 10.718 1.00 0.00 O ATOM 265 C1' G A 9 0.736 -4.734 9.804 1.00 0.00 C ATOM 266 N9 G A 9 1.843 -3.959 9.253 1.00 0.00 N ATOM 267 C8 G A 9 2.649 -3.080 9.933 1.00 0.00 C ATOM 268 N7 G A 9 3.557 -2.523 9.180 1.00 0.00 N ATOM 269 C5 G A 9 3.340 -3.069 7.923 1.00 0.00 C ATOM 270 C6 G A 9 4.016 -2.846 6.696 1.00 0.00 C ATOM 271 O6 G A 9 4.969 -2.094 6.467 1.00 0.00 O ATOM 272 N1 G A 9 3.474 -3.609 5.667 1.00 0.00 N ATOM 273 C2 G A 9 2.413 -4.472 5.799 1.00 0.00 C ATOM 274 N2 G A 9 2.031 -5.117 4.687 1.00 0.00 N ATOM 275 N3 G A 9 1.772 -4.689 6.937 1.00 0.00 N ATOM 276 C4 G A 9 2.286 -3.960 7.951 1.00 0.00 C ATOM 0 H5' G A 9 -1.204 -6.906 6.678 1.00 0.00 H new ATOM 0 H5'' G A 9 0.527 -6.982 6.937 1.00 0.00 H new ATOM 0 H4' G A 9 -1.267 -6.826 9.267 1.00 0.00 H new ATOM 0 H3' G A 9 -0.837 -4.453 7.420 1.00 0.00 H new ATOM 0 H2' G A 9 -0.631 -3.016 9.412 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.320 -4.646 10.438 1.00 0.00 H new ATOM 0 H1' G A 9 0.895 -4.787 10.881 1.00 0.00 H new ATOM 0 H8 G A 9 2.542 -2.870 10.987 1.00 0.00 H new ATOM 0 H1 G A 9 3.897 -3.521 4.743 1.00 0.00 H new ATOM 0 H21 G A 9 1.249 -5.771 4.720 1.00 0.00 H new ATOM 0 H22 G A 9 2.522 -4.953 3.808 1.00 0.00 H new ATOM 288 P G A 10 -3.359 -3.559 7.904 1.00 0.00 P ATOM 289 OP1 G A 10 -4.656 -3.577 8.629 1.00 0.00 O ATOM 290 OP2 G A 10 -3.348 -3.434 6.425 1.00 0.00 O ATOM 291 O5' G A 10 -2.469 -2.386 8.513 1.00 0.00 O ATOM 292 C5' G A 10 -2.594 -1.048 8.037 1.00 0.00 C ATOM 293 C4' G A 10 -1.404 -0.229 8.474 1.00 0.00 C ATOM 294 O4' G A 10 -0.202 -1.021 8.286 1.00 0.00 O ATOM 295 C3' G A 10 -1.171 1.041 7.667 1.00 0.00 C ATOM 296 O3' G A 10 -1.898 2.136 8.215 1.00 0.00 O ATOM 297 C2' G A 10 0.337 1.235 7.772 1.00 0.00 C ATOM 298 O2' G A 10 0.690 1.817 9.012 1.00 0.00 O ATOM 299 C1' G A 10 0.831 -0.211 7.757 1.00 0.00 C ATOM 300 N9 G A 10 1.159 -0.715 6.428 1.00 0.00 N ATOM 301 C8 G A 10 0.745 -1.901 5.875 1.00 0.00 C ATOM 302 N7 G A 10 1.197 -2.093 4.667 1.00 0.00 N ATOM 303 C5 G A 10 1.958 -0.962 4.403 1.00 0.00 C ATOM 304 C6 G A 10 2.696 -0.605 3.247 1.00 0.00 C ATOM 305 O6 G A 10 2.829 -1.237 2.196 1.00 0.00 O ATOM 306 N1 G A 10 3.321 0.628 3.398 1.00 0.00 N ATOM 307 C2 G A 10 3.245 1.417 4.521 1.00 0.00 C ATOM 308 N2 G A 10 3.919 2.576 4.476 1.00 0.00 N ATOM 309 N3 G A 10 2.560 1.095 5.607 1.00 0.00 N ATOM 310 C4 G A 10 1.945 -0.100 5.479 1.00 0.00 C ATOM 0 H5' G A 10 -3.512 -0.602 8.419 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.667 -1.046 6.949 1.00 0.00 H new ATOM 0 H4' G A 10 -1.614 0.048 9.507 1.00 0.00 H new ATOM 0 H3' G A 10 -1.513 0.976 6.634 1.00 0.00 H new ATOM 0 H2' G A 10 0.743 1.881 6.994 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.052 2.368 9.338 1.00 0.00 H new ATOM 0 H1' G A 10 1.750 -0.243 8.342 1.00 0.00 H new ATOM 0 H8 G A 10 0.108 -2.605 6.389 1.00 0.00 H new ATOM 0 H1 G A 10 3.878 0.973 2.616 1.00 0.00 H new ATOM 0 H21 G A 10 3.903 3.207 5.277 1.00 0.00 H new ATOM 0 H22 G A 10 4.448 2.826 3.640 1.00 0.00 H new ATOM 322 P U A 11 -2.962 2.928 7.306 1.00 0.00 P ATOM 323 OP1 U A 11 -3.844 3.693 8.224 1.00 0.00 O ATOM 324 OP2 U A 11 -3.564 1.977 6.337 1.00 0.00 O ATOM 325 O5' U A 11 -2.069 3.969 6.499 1.00 0.00 O ATOM 326 C5' U A 11 -1.476 5.085 7.156 1.00 0.00 C ATOM 327 C4' U A 11 -0.586 5.838 6.197 1.00 0.00 C ATOM 328 O4' U A 11 0.533 4.984 5.837 1.00 0.00 O ATOM 329 C3' U A 11 -1.229 6.212 4.869 1.00 0.00 C ATOM 330 O3' U A 11 -1.925 7.451 4.955 1.00 0.00 O ATOM 331 C2' U A 11 -0.029 6.285 3.934 1.00 0.00 C ATOM 332 O2' U A 11 0.685 7.493 4.112 1.00 0.00 O ATOM 333 C1' U A 11 0.825 5.133 4.459 1.00 0.00 C ATOM 334 N1 U A 11 0.563 3.851 3.789 1.00 0.00 N ATOM 335 C2 U A 11 1.048 3.690 2.505 1.00 0.00 C ATOM 336 O2 U A 11 1.660 4.565 1.916 1.00 0.00 O ATOM 337 N3 U A 11 0.788 2.469 1.935 1.00 0.00 N ATOM 338 C4 U A 11 0.107 1.415 2.505 1.00 0.00 C ATOM 339 O4 U A 11 -0.043 0.372 1.866 1.00 0.00 O ATOM 340 C5 U A 11 -0.367 1.662 3.831 1.00 0.00 C ATOM 341 C6 U A 11 -0.135 2.842 4.416 1.00 0.00 C ATOM 0 H5' U A 11 -0.895 4.746 8.013 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.253 5.746 7.539 1.00 0.00 H new ATOM 0 H4' U A 11 -0.322 6.754 6.725 1.00 0.00 H new ATOM 0 H3' U A 11 -1.988 5.505 4.534 1.00 0.00 H new ATOM 0 H2' U A 11 -0.298 6.235 2.879 1.00 0.00 H new ATOM 0 HO2' U A 11 0.127 8.133 4.601 1.00 0.00 H new ATOM 0 H1' U A 11 1.869 5.380 4.267 1.00 0.00 H new ATOM 0 H3 U A 11 1.136 2.326 0.987 1.00 0.00 H new ATOM 0 H5 U A 11 -0.913 0.895 4.361 1.00 0.00 H new ATOM 0 H6 U A 11 -0.508 3.010 5.415 1.00 0.00 H new ATOM 352 P A A 12 -3.194 7.721 4.006 1.00 0.00 P ATOM 353 OP1 A A 12 -3.782 9.023 4.411 1.00 0.00 O ATOM 354 OP2 A A 12 -4.043 6.502 4.002 1.00 0.00 O ATOM 355 O5' A A 12 -2.561 7.895 2.555 1.00 0.00 O ATOM 356 C5' A A 12 -1.747 9.022 2.243 1.00 0.00 C ATOM 357 C4' A A 12 -1.269 8.939 0.813 1.00 0.00 C ATOM 358 O4' A A 12 -0.485 7.726 0.648 1.00 0.00 O ATOM 359 C3' A A 12 -2.366 8.831 -0.238 1.00 0.00 C ATOM 360 O3' A A 12 -2.854 10.114 -0.616 1.00 0.00 O ATOM 361 C2' A A 12 -1.656 8.118 -1.381 1.00 0.00 C ATOM 362 O2' A A 12 -0.832 9.009 -2.108 1.00 0.00 O ATOM 363 C1' A A 12 -0.763 7.145 -0.614 1.00 0.00 C ATOM 364 N9 A A 12 -1.373 5.835 -0.393 1.00 0.00 N ATOM 365 C8 A A 12 -1.982 5.364 0.746 1.00 0.00 C ATOM 366 N7 A A 12 -2.426 4.136 0.639 1.00 0.00 N ATOM 367 C5 A A 12 -2.093 3.774 -0.659 1.00 0.00 C ATOM 368 C6 A A 12 -2.294 2.591 -1.390 1.00 0.00 C ATOM 369 N6 A A 12 -2.904 1.512 -0.897 1.00 0.00 N ATOM 370 N1 A A 12 -1.840 2.555 -2.662 1.00 0.00 N ATOM 371 C2 A A 12 -1.229 3.639 -3.156 1.00 0.00 C ATOM 372 N3 A A 12 -0.984 4.809 -2.568 1.00 0.00 N ATOM 373 C4 A A 12 -1.446 4.810 -1.306 1.00 0.00 C ATOM 0 H5' A A 12 -0.892 9.061 2.918 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.313 9.941 2.392 1.00 0.00 H new ATOM 0 H4' A A 12 -0.724 9.870 0.656 1.00 0.00 H new ATOM 0 H3' A A 12 -3.254 8.301 0.105 1.00 0.00 H new ATOM 0 H2' A A 12 -2.339 7.669 -2.101 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.387 8.524 -2.835 1.00 0.00 H new ATOM 0 H1' A A 12 0.132 6.977 -1.213 1.00 0.00 H new ATOM 0 H8 A A 12 -2.085 5.952 1.646 1.00 0.00 H new ATOM 0 H61 A A 12 -3.020 0.682 -1.478 1.00 0.00 H new ATOM 0 H62 A A 12 -3.254 1.517 0.061 1.00 0.00 H new ATOM 0 H2 A A 12 -0.886 3.553 -4.176 1.00 0.00 H new ATOM 385 P C A 13 -4.334 10.256 -1.230 1.00 0.00 P ATOM 386 OP1 C A 13 -4.634 11.707 -1.328 1.00 0.00 O ATOM 387 OP2 C A 13 -5.246 9.369 -0.464 1.00 0.00 O ATOM 388 O5' C A 13 -4.203 9.679 -2.709 1.00 0.00 O ATOM 389 C5' C A 13 -3.494 10.400 -3.713 1.00 0.00 C ATOM 390 C4' C A 13 -3.541 9.652 -5.026 1.00 0.00 C ATOM 391 O4' C A 13 -2.906 8.357 -4.860 1.00 0.00 O ATOM 392 C3' C A 13 -4.933 9.319 -5.541 1.00 0.00 C ATOM 393 O3' C A 13 -5.507 10.404 -6.261 1.00 0.00 O ATOM 394 C2' C A 13 -4.670 8.115 -6.436 1.00 0.00 C ATOM 395 O2' C A 13 -4.137 8.513 -7.684 1.00 0.00 O ATOM 396 C1' C A 13 -3.579 7.391 -5.649 1.00 0.00 C ATOM 397 N1 C A 13 -4.095 6.342 -4.757 1.00 0.00 N ATOM 398 C2 C A 13 -4.260 5.049 -5.260 1.00 0.00 C ATOM 399 O2 C A 13 -3.977 4.828 -6.447 1.00 0.00 O ATOM 400 N3 C A 13 -4.720 4.075 -4.443 1.00 0.00 N ATOM 401 C4 C A 13 -5.014 4.356 -3.171 1.00 0.00 C ATOM 402 N4 C A 13 -5.464 3.364 -2.400 1.00 0.00 N ATOM 403 C5 C A 13 -4.861 5.667 -2.633 1.00 0.00 C ATOM 404 C6 C A 13 -4.407 6.621 -3.456 1.00 0.00 C ATOM 0 H5' C A 13 -2.458 10.543 -3.405 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.930 11.391 -3.835 1.00 0.00 H new ATOM 0 H4' C A 13 -3.053 10.326 -5.730 1.00 0.00 H new ATOM 0 H3' C A 13 -5.653 9.118 -4.747 1.00 0.00 H new ATOM 0 H2' C A 13 -5.566 7.532 -6.651 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.976 7.721 -8.238 1.00 0.00 H new ATOM 0 H1' C A 13 -2.924 6.900 -6.369 1.00 0.00 H new ATOM 0 H41 C A 13 -5.698 3.543 -1.424 1.00 0.00 H new ATOM 0 H42 C A 13 -5.574 2.427 -2.787 1.00 0.00 H new ATOM 0 H5 C A 13 -5.102 5.883 -1.602 1.00 0.00 H new ATOM 0 H6 C A 13 -4.285 7.628 -3.085 1.00 0.00 H new ATOM 416 P C A 14 -7.103 10.590 -6.283 1.00 0.00 P ATOM 417 OP1 C A 14 -7.395 11.824 -7.056 1.00 0.00 O ATOM 418 OP2 C A 14 -7.610 10.458 -4.893 1.00 0.00 O ATOM 419 O5' C A 14 -7.625 9.343 -7.126 1.00 0.00 O ATOM 420 C5' C A 14 -7.310 9.212 -8.509 1.00 0.00 C ATOM 421 C4' C A 14 -7.901 7.935 -9.059 1.00 0.00 C ATOM 422 O4' C A 14 -7.253 6.800 -8.429 1.00 0.00 O ATOM 423 C3' C A 14 -9.379 7.722 -8.772 1.00 0.00 C ATOM 424 O3' C A 14 -10.218 8.408 -9.704 1.00 0.00 O ATOM 425 C2' C A 14 -9.517 6.207 -8.873 1.00 0.00 C ATOM 426 O2' C A 14 -9.597 5.790 -10.222 1.00 0.00 O ATOM 427 C1' C A 14 -8.179 5.736 -8.300 1.00 0.00 C ATOM 428 N1 C A 14 -8.245 5.350 -6.882 1.00 0.00 N ATOM 429 C2 C A 14 -8.527 4.019 -6.557 1.00 0.00 C ATOM 430 O2 C A 14 -8.714 3.206 -7.474 1.00 0.00 O ATOM 431 N3 C A 14 -8.587 3.655 -5.256 1.00 0.00 N ATOM 432 C4 C A 14 -8.379 4.562 -4.299 1.00 0.00 C ATOM 433 N4 C A 14 -8.447 4.160 -3.028 1.00 0.00 N ATOM 434 C5 C A 14 -8.090 5.925 -4.601 1.00 0.00 C ATOM 435 C6 C A 14 -8.036 6.271 -5.894 1.00 0.00 C ATOM 0 H5' C A 14 -6.228 9.209 -8.645 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.698 10.068 -9.061 1.00 0.00 H new ATOM 0 H4' C A 14 -7.755 8.019 -10.136 1.00 0.00 H new ATOM 0 H3' C A 14 -9.692 8.120 -7.807 1.00 0.00 H new ATOM 0 H2' C A 14 -10.406 5.825 -8.371 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.969 6.515 -10.767 1.00 0.00 H new ATOM 0 HO3' C A 14 -11.158 8.241 -9.482 1.00 0.00 H new ATOM 0 H1' C A 14 -7.882 4.847 -8.856 1.00 0.00 H new ATOM 0 H41 C A 14 -8.293 4.828 -2.273 1.00 0.00 H new ATOM 0 H42 C A 14 -8.653 3.185 -2.812 1.00 0.00 H new ATOM 0 H5 C A 14 -7.921 6.650 -3.818 1.00 0.00 H new ATOM 0 H6 C A 14 -7.824 7.296 -6.160 1.00 0.00 H new TER 448 C A 14