USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 164 hydrogens (24 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot -21:sc= 0.797 USER MOD Single : A 3 DT C7 :methyl 150:sc= -1.7 (180deg=-1.7) USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.3! (180deg=-3.8!) USER MOD Single : A 6 DT C7 :methyl -30:sc= -0.647 (180deg=-0.982) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0201 (180deg=-0.0201) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 1.228 4.963 14.371 1.00 0.00 O ATOM 2 C5' DT A 1 1.675 6.094 13.616 1.00 0.00 C ATOM 3 C4' DT A 1 0.587 6.591 12.694 1.00 0.00 C ATOM 4 O4' DT A 1 1.164 7.519 11.743 1.00 0.00 O ATOM 5 C3' DT A 1 -0.095 5.502 11.864 1.00 0.00 C ATOM 6 O3' DT A 1 -1.509 5.725 11.817 1.00 0.00 O ATOM 7 C2' DT A 1 0.514 5.662 10.482 1.00 0.00 C ATOM 8 C1' DT A 1 0.788 7.150 10.429 1.00 0.00 C ATOM 9 N1 DT A 1 1.878 7.544 9.516 1.00 0.00 N ATOM 10 C2 DT A 1 1.542 8.196 8.353 1.00 0.00 C ATOM 11 O2 DT A 1 0.396 8.462 8.043 1.00 0.00 O ATOM 12 N3 DT A 1 2.607 8.525 7.555 1.00 0.00 N ATOM 13 C4 DT A 1 3.938 8.276 7.799 1.00 0.00 C ATOM 14 O4 DT A 1 4.786 8.632 6.985 1.00 0.00 O ATOM 15 C5 DT A 1 4.222 7.590 9.042 1.00 0.00 C ATOM 16 C7 DT A 1 5.644 7.280 9.392 1.00 0.00 C ATOM 17 C6 DT A 1 3.190 7.261 9.832 1.00 0.00 C ATOM 0 H5' DT A 1 2.555 5.822 13.033 1.00 0.00 H new ATOM 0 H5'' DT A 1 1.976 6.893 14.294 1.00 0.00 H new ATOM 0 H4' DT A 1 -0.162 7.037 13.349 1.00 0.00 H new ATOM 0 H3' DT A 1 0.049 4.503 12.275 1.00 0.00 H new ATOM 0 H2' DT A 1 1.425 5.075 10.367 1.00 0.00 H new ATOM 0 H2'' DT A 1 -0.171 5.345 9.695 1.00 0.00 H new ATOM 0 HO5' DT A 1 0.248 4.950 14.391 1.00 0.00 H new ATOM 0 H1' DT A 1 -0.108 7.645 10.054 1.00 0.00 H new ATOM 0 H3 DT A 1 2.388 9.008 6.684 1.00 0.00 H new ATOM 0 H71 DT A 1 5.760 7.277 10.476 1.00 0.00 H new ATOM 0 H72 DT A 1 5.911 6.300 8.996 1.00 0.00 H new ATOM 0 H73 DT A 1 6.298 8.037 8.959 1.00 0.00 H new ATOM 0 H6 DT A 1 3.396 6.750 10.761 1.00 0.00 H new ATOM 31 P DA A 2 -2.451 5.132 12.975 1.00 0.00 P ATOM 32 OP1 DA A 2 -3.659 5.996 13.045 1.00 0.00 O ATOM 33 OP2 DA A 2 -1.626 4.928 14.194 1.00 0.00 O ATOM 34 O5' DA A 2 -2.897 3.704 12.429 1.00 0.00 O ATOM 35 C5' DA A 2 -2.358 3.172 11.215 1.00 0.00 C ATOM 36 C4' DA A 2 -3.049 3.787 10.023 1.00 0.00 C ATOM 37 O4' DA A 2 -2.045 4.233 9.079 1.00 0.00 O ATOM 38 C3' DA A 2 -3.967 2.839 9.248 1.00 0.00 C ATOM 39 O3' DA A 2 -5.140 3.536 8.811 1.00 0.00 O ATOM 40 C2' DA A 2 -3.120 2.415 8.062 1.00 0.00 C ATOM 41 C1' DA A 2 -2.274 3.648 7.809 1.00 0.00 C ATOM 42 N9 DA A 2 -0.974 3.379 7.198 1.00 0.00 N ATOM 43 C8 DA A 2 0.017 2.553 7.668 1.00 0.00 C ATOM 44 N7 DA A 2 1.078 2.512 6.898 1.00 0.00 N ATOM 45 C5 DA A 2 0.766 3.372 5.855 1.00 0.00 C ATOM 46 C6 DA A 2 1.480 3.766 4.710 1.00 0.00 C ATOM 47 N6 DA A 2 2.702 3.327 4.414 1.00 0.00 N ATOM 48 N1 DA A 2 0.886 4.640 3.869 1.00 0.00 N ATOM 49 C2 DA A 2 -0.345 5.080 4.166 1.00 0.00 C ATOM 50 N3 DA A 2 -1.116 4.782 5.209 1.00 0.00 N ATOM 51 C4 DA A 2 -0.494 3.914 6.024 1.00 0.00 C ATOM 0 H5' DA A 2 -2.482 2.089 11.198 1.00 0.00 H new ATOM 0 H5'' DA A 2 -1.287 3.371 11.166 1.00 0.00 H new ATOM 0 H4' DA A 2 -3.663 4.588 10.433 1.00 0.00 H new ATOM 0 H3' DA A 2 -4.314 1.993 9.841 1.00 0.00 H new ATOM 0 H2' DA A 2 -2.508 1.542 8.291 1.00 0.00 H new ATOM 0 H2'' DA A 2 -3.732 2.157 7.197 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.812 4.285 7.106 1.00 0.00 H new ATOM 0 H8 DA A 2 -0.069 1.990 8.586 1.00 0.00 H new ATOM 0 H61 DA A 2 3.169 3.651 3.567 1.00 0.00 H new ATOM 0 H62 DA A 2 3.171 2.667 5.035 1.00 0.00 H new ATOM 0 H2 DA A 2 -0.772 5.775 3.458 1.00 0.00 H new ATOM 63 P DT A 3 -6.404 2.709 8.258 1.00 0.00 P ATOM 64 OP1 DT A 3 -7.616 3.273 8.905 1.00 0.00 O ATOM 65 OP2 DT A 3 -6.118 1.256 8.378 1.00 0.00 O ATOM 66 O5' DT A 3 -6.454 3.073 6.707 1.00 0.00 O ATOM 67 C5' DT A 3 -6.283 4.418 6.258 1.00 0.00 C ATOM 68 C4' DT A 3 -5.874 4.438 4.804 1.00 0.00 C ATOM 69 O4' DT A 3 -4.464 4.146 4.712 1.00 0.00 O ATOM 70 C3' DT A 3 -6.560 3.398 3.919 1.00 0.00 C ATOM 71 O3' DT A 3 -7.618 4.009 3.168 1.00 0.00 O ATOM 72 C2' DT A 3 -5.461 2.903 2.986 1.00 0.00 C ATOM 73 C1' DT A 3 -4.203 3.642 3.421 1.00 0.00 C ATOM 74 N1 DT A 3 -2.998 2.793 3.495 1.00 0.00 N ATOM 75 C2 DT A 3 -2.046 2.925 2.516 1.00 0.00 C ATOM 76 O2 DT A 3 -2.148 3.709 1.584 1.00 0.00 O ATOM 77 N3 DT A 3 -0.962 2.104 2.656 1.00 0.00 N ATOM 78 C4 DT A 3 -0.737 1.184 3.657 1.00 0.00 C ATOM 79 O4 DT A 3 0.289 0.509 3.646 1.00 0.00 O ATOM 80 C5 DT A 3 -1.780 1.098 4.659 1.00 0.00 C ATOM 81 C7 DT A 3 -1.621 0.129 5.789 1.00 0.00 C ATOM 82 C6 DT A 3 -2.847 1.896 4.531 1.00 0.00 C ATOM 0 H5' DT A 3 -5.526 4.917 6.863 1.00 0.00 H new ATOM 0 H5'' DT A 3 -7.212 4.973 6.389 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.159 5.429 4.450 1.00 0.00 H new ATOM 0 H3' DT A 3 -7.008 2.588 4.495 1.00 0.00 H new ATOM 0 H2' DT A 3 -5.332 1.824 3.068 1.00 0.00 H new ATOM 0 H2'' DT A 3 -5.703 3.117 1.945 1.00 0.00 H new ATOM 0 H1' DT A 3 -3.990 4.411 2.678 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.240 2.181 1.940 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.130 0.514 6.673 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.055 -0.831 5.509 1.00 0.00 H new ATOM 0 H73 DT A 3 -0.562 -0.003 6.009 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.627 1.834 5.275 1.00 0.00 H new ATOM 95 P DT A 4 -8.346 3.186 1.992 1.00 0.00 P ATOM 96 OP1 DT A 4 -9.616 3.877 1.660 1.00 0.00 O ATOM 97 OP2 DT A 4 -8.370 1.755 2.392 1.00 0.00 O ATOM 98 O5' DT A 4 -7.358 3.334 0.749 1.00 0.00 O ATOM 99 C5' DT A 4 -6.936 4.620 0.290 1.00 0.00 C ATOM 100 C4' DT A 4 -6.045 4.478 -0.920 1.00 0.00 C ATOM 101 O4' DT A 4 -4.812 3.830 -0.520 1.00 0.00 O ATOM 102 C3' DT A 4 -6.625 3.624 -2.052 1.00 0.00 C ATOM 103 O3' DT A 4 -6.344 4.216 -3.324 1.00 0.00 O ATOM 104 C2' DT A 4 -5.899 2.298 -1.917 1.00 0.00 C ATOM 105 C1' DT A 4 -4.556 2.715 -1.353 1.00 0.00 C ATOM 106 N1 DT A 4 -3.880 1.689 -0.540 1.00 0.00 N ATOM 107 C2 DT A 4 -2.584 1.351 -0.858 1.00 0.00 C ATOM 108 O2 DT A 4 -1.972 1.855 -1.783 1.00 0.00 O ATOM 109 N3 DT A 4 -2.027 0.397 -0.049 1.00 0.00 N ATOM 110 C4 DT A 4 -2.621 -0.236 1.021 1.00 0.00 C ATOM 111 O4 DT A 4 -1.985 -1.064 1.668 1.00 0.00 O ATOM 112 C5 DT A 4 -3.984 0.161 1.295 1.00 0.00 C ATOM 113 C7 DT A 4 -4.712 -0.484 2.433 1.00 0.00 C ATOM 114 C6 DT A 4 -4.542 1.092 0.512 1.00 0.00 C ATOM 0 H5' DT A 4 -6.401 5.140 1.085 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.806 5.228 0.040 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.913 5.492 -1.297 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.709 3.524 -1.989 1.00 0.00 H new ATOM 0 H2' DT A 4 -6.424 1.614 -1.250 1.00 0.00 H new ATOM 0 H2'' DT A 4 -5.797 1.792 -2.877 1.00 0.00 H new ATOM 0 H1' DT A 4 -3.891 2.916 -2.193 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.067 0.125 -0.262 1.00 0.00 H new ATOM 0 H71 DT A 4 -4.340 -1.499 2.574 1.00 0.00 H new ATOM 0 H72 DT A 4 -4.548 0.093 3.343 1.00 0.00 H new ATOM 0 H73 DT A 4 -5.779 -0.516 2.211 1.00 0.00 H new ATOM 0 H6 DT A 4 -5.560 1.390 0.714 1.00 0.00 H new ATOM 127 P DA A 5 -7.054 3.640 -4.651 1.00 0.00 P ATOM 128 OP1 DA A 5 -7.764 4.775 -5.295 1.00 0.00 O ATOM 129 OP2 DA A 5 -7.808 2.412 -4.291 1.00 0.00 O ATOM 130 O5' DA A 5 -5.844 3.216 -5.599 1.00 0.00 O ATOM 131 C5' DA A 5 -4.524 3.039 -5.082 1.00 0.00 C ATOM 132 C4' DA A 5 -3.789 1.970 -5.860 1.00 0.00 C ATOM 133 O4' DA A 5 -3.012 1.182 -4.923 1.00 0.00 O ATOM 134 C3' DA A 5 -4.674 0.977 -6.622 1.00 0.00 C ATOM 135 O3' DA A 5 -4.124 0.732 -7.923 1.00 0.00 O ATOM 136 C2' DA A 5 -4.632 -0.277 -5.768 1.00 0.00 C ATOM 137 C1' DA A 5 -3.262 -0.195 -5.128 1.00 0.00 C ATOM 138 N9 DA A 5 -3.155 -0.870 -3.835 1.00 0.00 N ATOM 139 C8 DA A 5 -4.094 -0.923 -2.835 1.00 0.00 C ATOM 140 N7 DA A 5 -3.712 -1.601 -1.783 1.00 0.00 N ATOM 141 C5 DA A 5 -2.434 -2.032 -2.112 1.00 0.00 C ATOM 142 C6 DA A 5 -1.490 -2.803 -1.420 1.00 0.00 C ATOM 143 N6 DA A 5 -1.696 -3.296 -0.195 1.00 0.00 N ATOM 144 N1 DA A 5 -0.312 -3.059 -2.029 1.00 0.00 N ATOM 145 C2 DA A 5 -0.106 -2.557 -3.255 1.00 0.00 C ATOM 146 N3 DA A 5 -0.914 -1.817 -4.008 1.00 0.00 N ATOM 147 C4 DA A 5 -2.077 -1.587 -3.372 1.00 0.00 C ATOM 0 H5' DA A 5 -4.574 2.761 -4.029 1.00 0.00 H new ATOM 0 H5'' DA A 5 -3.976 3.980 -5.138 1.00 0.00 H new ATOM 0 H4' DA A 5 -3.200 2.511 -6.601 1.00 0.00 H new ATOM 0 H3' DA A 5 -5.691 1.336 -6.779 1.00 0.00 H new ATOM 0 H2' DA A 5 -5.428 -0.287 -5.023 1.00 0.00 H new ATOM 0 H2'' DA A 5 -4.746 -1.180 -6.368 1.00 0.00 H new ATOM 0 H1' DA A 5 -2.550 -0.693 -5.787 1.00 0.00 H new ATOM 0 H8 DA A 5 -5.061 -0.448 -2.910 1.00 0.00 H new ATOM 0 H61 DA A 5 -0.971 -3.851 0.260 1.00 0.00 H new ATOM 0 H62 DA A 5 -2.578 -3.117 0.285 1.00 0.00 H new ATOM 0 H2 DA A 5 0.854 -2.787 -3.694 1.00 0.00 H new ATOM 159 P DT A 6 -4.861 -0.286 -8.928 1.00 0.00 P ATOM 160 OP1 DT A 6 -5.021 0.419 -10.224 1.00 0.00 O ATOM 161 OP2 DT A 6 -6.052 -0.861 -8.254 1.00 0.00 O ATOM 162 O5' DT A 6 -3.794 -1.454 -9.133 1.00 0.00 O ATOM 163 C5' DT A 6 -2.456 -1.161 -9.538 1.00 0.00 C ATOM 164 C4' DT A 6 -1.563 -2.360 -9.305 1.00 0.00 C ATOM 165 O4' DT A 6 -1.497 -2.614 -7.881 1.00 0.00 O ATOM 166 C3' DT A 6 -2.045 -3.659 -9.959 1.00 0.00 C ATOM 167 O3' DT A 6 -0.971 -4.271 -10.681 1.00 0.00 O ATOM 168 C2' DT A 6 -2.472 -4.538 -8.793 1.00 0.00 C ATOM 169 C1' DT A 6 -1.682 -3.991 -7.623 1.00 0.00 C ATOM 170 N1 DT A 6 -2.362 -4.119 -6.323 1.00 0.00 N ATOM 171 C2 DT A 6 -1.661 -4.649 -5.265 1.00 0.00 C ATOM 172 O2 DT A 6 -0.501 -5.019 -5.349 1.00 0.00 O ATOM 173 N3 DT A 6 -2.370 -4.734 -4.097 1.00 0.00 N ATOM 174 C4 DT A 6 -3.676 -4.351 -3.883 1.00 0.00 C ATOM 175 O4 DT A 6 -4.177 -4.489 -2.770 1.00 0.00 O ATOM 176 C5 DT A 6 -4.354 -3.802 -5.035 1.00 0.00 C ATOM 177 C7 DT A 6 -5.789 -3.392 -4.905 1.00 0.00 C ATOM 178 C6 DT A 6 -3.674 -3.710 -6.187 1.00 0.00 C ATOM 0 H5' DT A 6 -2.079 -0.304 -8.980 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.440 -0.886 -10.593 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.604 -2.102 -9.754 1.00 0.00 H new ATOM 0 H3' DT A 6 -2.855 -3.496 -10.670 1.00 0.00 H new ATOM 0 H2' DT A 6 -3.546 -4.475 -8.616 1.00 0.00 H new ATOM 0 H2'' DT A 6 -2.241 -5.587 -8.977 1.00 0.00 H new ATOM 0 H1' DT A 6 -0.757 -4.562 -7.544 1.00 0.00 H new ATOM 0 H3 DT A 6 -1.876 -5.125 -3.295 1.00 0.00 H new ATOM 0 H71 DT A 6 -6.280 -4.016 -4.158 1.00 0.00 H new ATOM 0 H72 DT A 6 -5.843 -2.348 -4.597 1.00 0.00 H new ATOM 0 H73 DT A 6 -6.290 -3.513 -5.865 1.00 0.00 H new ATOM 0 H6 DT A 6 -4.176 -3.297 -7.049 1.00 0.00 H new HETATM 191 P K12 A 7 -1.232 -5.618 -11.519 1.00 0.00 P HETATM 192 C1 K12 A 7 0.143 -6.883 -9.668 1.00 0.00 C HETATM 193 C2 K12 A 7 -0.033 -7.902 -8.530 1.00 0.00 C HETATM 194 C3 K12 A 7 -1.063 -7.525 -7.454 1.00 0.00 C HETATM 195 C4 K12 A 7 -2.438 -8.199 -7.593 1.00 0.00 C HETATM 196 C5 K12 A 7 -3.515 -7.724 -6.599 1.00 0.00 C HETATM 197 C6 K12 A 7 -3.166 -7.886 -5.109 1.00 0.00 C HETATM 198 C7 K12 A 7 -3.035 -9.337 -4.609 1.00 0.00 C HETATM 199 C8 K12 A 7 -1.812 -9.619 -3.722 1.00 0.00 C HETATM 200 C9 K12 A 7 -1.939 -10.829 -2.784 1.00 0.00 C HETATM 201 C10 K12 A 7 -2.734 -10.582 -1.494 1.00 0.00 C HETATM 202 C11 K12 A 7 -3.054 -11.838 -0.664 1.00 0.00 C HETATM 203 C12 K12 A 7 -3.052 -11.640 0.858 1.00 0.00 C HETATM 204 O3' K12 A 7 -1.765 -11.223 1.313 1.00 0.00 O HETATM 205 O5' K12 A 7 -1.050 -6.781 -10.444 1.00 0.00 O HETATM 206 OP1 K12 A 7 -0.142 -5.737 -12.521 1.00 0.00 O HETATM 207 OP2 K12 A 7 -2.647 -5.626 -11.974 1.00 0.00 O HETATM 0 H12A K12 A 7 -3.799 -10.895 1.133 1.00 0.00 H new HETATM 0 H11A K12 A 7 -4.034 -12.211 -0.963 1.00 0.00 H new HETATM 0 H10A K12 A 7 -2.173 -9.888 -0.869 1.00 0.00 H new HETATM 0 H9A K12 A 7 -2.412 -11.644 -3.332 1.00 0.00 H new HETATM 0 H9 K12 A 7 -0.938 -11.165 -2.515 1.00 0.00 H new HETATM 0 H8A K12 A 7 -0.945 -9.770 -4.366 1.00 0.00 H new HETATM 0 H8 K12 A 7 -1.611 -8.734 -3.119 1.00 0.00 H new HETATM 0 H7A K12 A 7 -3.935 -9.594 -4.050 1.00 0.00 H new HETATM 0 H7 K12 A 7 -2.996 -10.000 -5.474 1.00 0.00 H new HETATM 0 H6A K12 A 7 -2.226 -7.368 -4.916 1.00 0.00 H new HETATM 0 H6 K12 A 7 -3.933 -7.385 -4.518 1.00 0.00 H new HETATM 0 H5A K12 A 7 -3.723 -6.672 -6.792 1.00 0.00 H new HETATM 0 H5 K12 A 7 -4.435 -8.273 -6.799 1.00 0.00 H new HETATM 0 H4A K12 A 7 -2.804 -8.031 -8.606 1.00 0.00 H new HETATM 0 H4 K12 A 7 -2.309 -9.275 -7.475 1.00 0.00 H new HETATM 0 H3A K12 A 7 -0.651 -7.776 -6.477 1.00 0.00 H new HETATM 0 H3 K12 A 7 -1.203 -6.444 -7.472 1.00 0.00 H new HETATM 0 H2A K12 A 7 -0.322 -8.859 -8.965 1.00 0.00 H new HETATM 0 H2 K12 A 7 0.933 -8.050 -8.047 1.00 0.00 H new HETATM 0 H1A K12 A 7 0.397 -5.908 -9.253 1.00 0.00 H new HETATM 0 H12 K12 A 7 -3.333 -12.571 1.351 1.00 0.00 H new HETATM 0 H11 K12 A 7 -2.328 -12.612 -0.914 1.00 0.00 H new HETATM 0 H10 K12 A 7 -3.672 -10.090 -1.754 1.00 0.00 H new HETATM 0 H1 K12 A 7 0.973 -7.184 -10.307 1.00 0.00 H new ATOM 232 P DA A 8 -0.639 -12.286 1.697 1.00 0.00 P ATOM 233 OP1 DA A 8 -1.060 -13.617 1.189 1.00 0.00 O ATOM 234 OP2 DA A 8 -0.325 -12.121 3.137 1.00 0.00 O ATOM 235 O5' DA A 8 0.630 -11.816 0.857 1.00 0.00 O ATOM 236 C5' DA A 8 1.543 -12.769 0.306 1.00 0.00 C ATOM 237 C4' DA A 8 2.534 -12.082 -0.605 1.00 0.00 C ATOM 238 O4' DA A 8 1.861 -11.023 -1.327 1.00 0.00 O ATOM 239 C3' DA A 8 3.698 -11.399 0.105 1.00 0.00 C ATOM 240 O3' DA A 8 4.832 -11.325 -0.771 1.00 0.00 O ATOM 241 C2' DA A 8 3.142 -10.019 0.396 1.00 0.00 C ATOM 242 C1' DA A 8 2.265 -9.756 -0.822 1.00 0.00 C ATOM 243 N9 DA A 8 1.057 -8.989 -0.529 1.00 0.00 N ATOM 244 C8 DA A 8 0.282 -9.060 0.600 1.00 0.00 C ATOM 245 N7 DA A 8 -0.748 -8.246 0.588 1.00 0.00 N ATOM 246 C5 DA A 8 -0.641 -7.599 -0.636 1.00 0.00 C ATOM 247 C6 DA A 8 -1.429 -6.613 -1.257 1.00 0.00 C ATOM 248 N6 DA A 8 -2.523 -6.087 -0.710 1.00 0.00 N ATOM 249 N1 DA A 8 -1.044 -6.182 -2.477 1.00 0.00 N ATOM 250 C2 DA A 8 0.055 -6.716 -3.031 1.00 0.00 C ATOM 251 N3 DA A 8 0.875 -7.642 -2.546 1.00 0.00 N ATOM 252 C4 DA A 8 0.467 -8.047 -1.332 1.00 0.00 C ATOM 0 H5' DA A 8 0.994 -13.529 -0.250 1.00 0.00 H new ATOM 0 H5'' DA A 8 2.072 -13.282 1.109 1.00 0.00 H new ATOM 0 H4' DA A 8 2.928 -12.881 -1.233 1.00 0.00 H new ATOM 0 H3' DA A 8 4.042 -11.919 0.999 1.00 0.00 H new ATOM 0 H2' DA A 8 2.567 -10.000 1.322 1.00 0.00 H new ATOM 0 H2'' DA A 8 3.933 -9.275 0.496 1.00 0.00 H new ATOM 0 H1' DA A 8 2.851 -9.167 -1.528 1.00 0.00 H new ATOM 0 H8 DA A 8 0.499 -9.724 1.423 1.00 0.00 H new ATOM 0 H61 DA A 8 -3.052 -5.374 -1.212 1.00 0.00 H new ATOM 0 H62 DA A 8 -2.832 -6.397 0.211 1.00 0.00 H new ATOM 0 H2 DA A 8 0.309 -6.340 -4.011 1.00 0.00 H new ATOM 264 P DT A 9 6.240 -10.785 -0.214 1.00 0.00 P ATOM 265 OP1 DT A 9 7.290 -11.722 -0.688 1.00 0.00 O ATOM 266 OP2 DT A 9 6.107 -10.508 1.238 1.00 0.00 O ATOM 267 O5' DT A 9 6.443 -9.396 -0.971 1.00 0.00 O ATOM 268 C5' DT A 9 6.188 -9.276 -2.372 1.00 0.00 C ATOM 269 C4' DT A 9 5.965 -7.827 -2.740 1.00 0.00 C ATOM 270 O4' DT A 9 4.609 -7.468 -2.401 1.00 0.00 O ATOM 271 C3' DT A 9 6.865 -6.828 -2.006 1.00 0.00 C ATOM 272 O3' DT A 9 7.826 -6.285 -2.923 1.00 0.00 O ATOM 273 C2' DT A 9 5.911 -5.751 -1.500 1.00 0.00 C ATOM 274 C1' DT A 9 4.574 -6.086 -2.134 1.00 0.00 C ATOM 275 N1 DT A 9 3.418 -5.819 -1.267 1.00 0.00 N ATOM 276 C2 DT A 9 2.424 -4.984 -1.721 1.00 0.00 C ATOM 277 O2 DT A 9 2.447 -4.454 -2.819 1.00 0.00 O ATOM 278 N3 DT A 9 1.398 -4.786 -0.838 1.00 0.00 N ATOM 279 C4 DT A 9 1.265 -5.327 0.423 1.00 0.00 C ATOM 280 O4 DT A 9 0.284 -5.052 1.107 1.00 0.00 O ATOM 281 C5 DT A 9 2.346 -6.202 0.834 1.00 0.00 C ATOM 282 C7 DT A 9 2.306 -6.824 2.194 1.00 0.00 C ATOM 283 C6 DT A 9 3.355 -6.404 -0.021 1.00 0.00 C ATOM 0 H5' DT A 9 5.312 -9.866 -2.641 1.00 0.00 H new ATOM 0 H5'' DT A 9 7.029 -9.677 -2.938 1.00 0.00 H new ATOM 0 H4' DT A 9 6.192 -7.763 -3.804 1.00 0.00 H new ATOM 0 H3' DT A 9 7.430 -7.277 -1.189 1.00 0.00 H new ATOM 0 H2' DT A 9 5.846 -5.760 -0.412 1.00 0.00 H new ATOM 0 H2'' DT A 9 6.248 -4.756 -1.791 1.00 0.00 H new ATOM 0 H1' DT A 9 4.445 -5.461 -3.018 1.00 0.00 H new ATOM 0 H3 DT A 9 0.647 -4.169 -1.147 1.00 0.00 H new ATOM 0 H71 DT A 9 2.816 -7.787 2.169 1.00 0.00 H new ATOM 0 H72 DT A 9 2.803 -6.168 2.909 1.00 0.00 H new ATOM 0 H73 DT A 9 1.269 -6.971 2.497 1.00 0.00 H new ATOM 0 H6 DT A 9 4.160 -7.058 0.280 1.00 0.00 H new ATOM 296 P DA A 10 8.573 -4.900 -2.584 1.00 0.00 P ATOM 297 OP1 DA A 10 9.815 -4.858 -3.397 1.00 0.00 O ATOM 298 OP2 DA A 10 8.659 -4.752 -1.109 1.00 0.00 O ATOM 299 O5' DA A 10 7.584 -3.781 -3.144 1.00 0.00 O ATOM 300 C5' DA A 10 6.940 -3.936 -4.411 1.00 0.00 C ATOM 301 C4' DA A 10 6.265 -2.647 -4.821 1.00 0.00 C ATOM 302 O4' DA A 10 4.968 -2.572 -4.182 1.00 0.00 O ATOM 303 C3' DA A 10 7.005 -1.365 -4.433 1.00 0.00 C ATOM 304 O3' DA A 10 6.919 -0.406 -5.498 1.00 0.00 O ATOM 305 C2' DA A 10 6.253 -0.878 -3.207 1.00 0.00 C ATOM 306 C1' DA A 10 4.839 -1.336 -3.498 1.00 0.00 C ATOM 307 N9 DA A 10 4.015 -1.563 -2.310 1.00 0.00 N ATOM 308 C8 DA A 10 4.305 -2.377 -1.243 1.00 0.00 C ATOM 309 N7 DA A 10 3.373 -2.386 -0.318 1.00 0.00 N ATOM 310 C5 DA A 10 2.410 -1.518 -0.808 1.00 0.00 C ATOM 311 C6 DA A 10 1.170 -1.097 -0.296 1.00 0.00 C ATOM 312 N6 DA A 10 0.676 -1.506 0.873 1.00 0.00 N ATOM 313 N1 DA A 10 0.448 -0.225 -1.033 1.00 0.00 N ATOM 314 C2 DA A 10 0.949 0.190 -2.205 1.00 0.00 C ATOM 315 N3 DA A 10 2.099 -0.134 -2.791 1.00 0.00 N ATOM 316 C4 DA A 10 2.790 -1.003 -2.032 1.00 0.00 C ATOM 0 H5' DA A 10 6.204 -4.738 -4.356 1.00 0.00 H new ATOM 0 H5'' DA A 10 7.672 -4.226 -5.165 1.00 0.00 H new ATOM 0 H4' DA A 10 6.226 -2.689 -5.910 1.00 0.00 H new ATOM 0 H3' DA A 10 8.067 -1.519 -4.241 1.00 0.00 H new ATOM 0 H2' DA A 10 6.643 -1.317 -2.289 1.00 0.00 H new ATOM 0 H2'' DA A 10 6.316 0.204 -3.094 1.00 0.00 H new ATOM 0 H1' DA A 10 4.338 -0.550 -4.064 1.00 0.00 H new ATOM 0 H8 DA A 10 5.214 -2.955 -1.171 1.00 0.00 H new ATOM 0 H61 DA A 10 -0.231 -1.164 1.191 1.00 0.00 H new ATOM 0 H62 DA A 10 1.205 -2.161 1.449 1.00 0.00 H new ATOM 0 H2 DA A 10 0.331 0.887 -2.752 1.00 0.00 H new ATOM 328 P DA A 11 7.567 1.055 -5.318 1.00 0.00 P ATOM 329 OP1 DA A 11 8.241 1.394 -6.600 1.00 0.00 O ATOM 330 OP2 DA A 11 8.345 1.085 -4.054 1.00 0.00 O ATOM 331 O5' DA A 11 6.310 2.015 -5.152 1.00 0.00 O ATOM 332 C5' DA A 11 5.214 1.961 -6.070 1.00 0.00 C ATOM 333 C4' DA A 11 4.217 3.056 -5.767 1.00 0.00 C ATOM 334 O4' DA A 11 3.398 2.639 -4.647 1.00 0.00 O ATOM 335 C3' DA A 11 4.824 4.406 -5.378 1.00 0.00 C ATOM 336 O3' DA A 11 4.086 5.470 -5.988 1.00 0.00 O ATOM 337 C2' DA A 11 4.677 4.448 -3.864 1.00 0.00 C ATOM 338 C1' DA A 11 3.442 3.605 -3.612 1.00 0.00 C ATOM 339 N9 DA A 11 3.443 2.889 -2.339 1.00 0.00 N ATOM 340 C8 DA A 11 4.426 2.069 -1.844 1.00 0.00 C ATOM 341 N7 DA A 11 4.142 1.547 -0.674 1.00 0.00 N ATOM 342 C5 DA A 11 2.890 2.062 -0.376 1.00 0.00 C ATOM 343 C6 DA A 11 2.038 1.891 0.727 1.00 0.00 C ATOM 344 N6 DA A 11 2.331 1.120 1.774 1.00 0.00 N ATOM 345 N1 DA A 11 0.856 2.548 0.717 1.00 0.00 N ATOM 346 C2 DA A 11 0.562 3.320 -0.338 1.00 0.00 C ATOM 347 N3 DA A 11 1.282 3.562 -1.434 1.00 0.00 N ATOM 348 C4 DA A 11 2.448 2.893 -1.389 1.00 0.00 C ATOM 0 H5' DA A 11 4.726 0.988 -6.006 1.00 0.00 H new ATOM 0 H5'' DA A 11 5.581 2.067 -7.091 1.00 0.00 H new ATOM 0 H4' DA A 11 3.666 3.202 -6.696 1.00 0.00 H new ATOM 0 H3' DA A 11 5.859 4.520 -5.701 1.00 0.00 H new ATOM 0 H2' DA A 11 5.554 4.038 -3.363 1.00 0.00 H new ATOM 0 H2'' DA A 11 4.550 5.467 -3.500 1.00 0.00 H new ATOM 0 H1' DA A 11 2.585 4.278 -3.584 1.00 0.00 H new ATOM 0 H8 DA A 11 5.349 1.871 -2.369 1.00 0.00 H new ATOM 0 H61 DA A 11 1.670 1.036 2.546 1.00 0.00 H new ATOM 0 H62 DA A 11 3.216 0.614 1.803 1.00 0.00 H new ATOM 0 H2 DA A 11 -0.396 3.818 -0.294 1.00 0.00 H new ATOM 360 P DT A 12 4.640 6.979 -5.904 1.00 0.00 P ATOM 361 OP1 DT A 12 4.342 7.652 -7.195 1.00 0.00 O ATOM 362 OP2 DT A 12 6.040 6.928 -5.410 1.00 0.00 O ATOM 363 O5' DT A 12 3.743 7.650 -4.772 1.00 0.00 O ATOM 364 C5' DT A 12 2.326 7.766 -4.923 1.00 0.00 C ATOM 365 C4' DT A 12 1.717 8.394 -3.691 1.00 0.00 C ATOM 366 O4' DT A 12 1.552 7.372 -2.687 1.00 0.00 O ATOM 367 C3' DT A 12 2.572 9.477 -3.034 1.00 0.00 C ATOM 368 O3' DT A 12 2.147 10.783 -3.465 1.00 0.00 O ATOM 369 C2' DT A 12 2.354 9.282 -1.538 1.00 0.00 C ATOM 370 C1' DT A 12 1.586 7.970 -1.404 1.00 0.00 C ATOM 371 N1 DT A 12 2.201 7.002 -0.477 1.00 0.00 N ATOM 372 C2 DT A 12 1.468 6.574 0.607 1.00 0.00 C ATOM 373 O2 DT A 12 0.335 6.960 0.840 1.00 0.00 O ATOM 374 N3 DT A 12 2.112 5.674 1.415 1.00 0.00 N ATOM 375 C4 DT A 12 3.384 5.168 1.248 1.00 0.00 C ATOM 376 O4 DT A 12 3.827 4.358 2.059 1.00 0.00 O ATOM 377 C5 DT A 12 4.099 5.659 0.092 1.00 0.00 C ATOM 378 C7 DT A 12 5.485 5.160 -0.168 1.00 0.00 C ATOM 379 C6 DT A 12 3.482 6.542 -0.704 1.00 0.00 C ATOM 0 H5' DT A 12 1.890 6.781 -5.091 1.00 0.00 H new ATOM 0 H5'' DT A 12 2.095 8.371 -5.800 1.00 0.00 H new ATOM 0 H4' DT A 12 0.787 8.850 -4.032 1.00 0.00 H new ATOM 0 H3' DT A 12 3.626 9.402 -3.300 1.00 0.00 H new ATOM 0 H2' DT A 12 3.304 9.236 -1.006 1.00 0.00 H new ATOM 0 H2'' DT A 12 1.790 10.112 -1.112 1.00 0.00 H new ATOM 0 H1' DT A 12 0.602 8.211 -1.003 1.00 0.00 H new ATOM 0 H3 DT A 12 1.594 5.342 2.229 1.00 0.00 H new ATOM 0 H71 DT A 12 5.678 5.164 -1.241 1.00 0.00 H new ATOM 0 H72 DT A 12 6.205 5.808 0.332 1.00 0.00 H new ATOM 0 H73 DT A 12 5.584 4.144 0.215 1.00 0.00 H new ATOM 0 H6 DT A 12 4.014 6.913 -1.567 1.00 0.00 H new ATOM 392 P DA A 13 0.686 11.339 -3.068 1.00 0.00 P ATOM 393 OP1 DA A 13 -0.115 10.227 -2.492 1.00 0.00 O ATOM 394 OP2 DA A 13 0.157 12.087 -4.239 1.00 0.00 O ATOM 395 O5' DA A 13 0.983 12.385 -1.903 1.00 0.00 O ATOM 396 C5' DA A 13 0.056 13.428 -1.592 1.00 0.00 C ATOM 397 C4' DA A 13 -1.083 12.887 -0.758 1.00 0.00 C ATOM 398 O4' DA A 13 -0.605 11.779 0.039 1.00 0.00 O ATOM 399 C3' DA A 13 -1.673 13.881 0.241 1.00 0.00 C ATOM 400 O3' DA A 13 -3.059 13.610 0.466 1.00 0.00 O ATOM 401 C2' DA A 13 -0.864 13.622 1.498 1.00 0.00 C ATOM 402 C1' DA A 13 -0.587 12.126 1.419 1.00 0.00 C ATOM 403 N9 DA A 13 0.708 11.724 1.964 1.00 0.00 N ATOM 404 C8 DA A 13 1.954 11.956 1.435 1.00 0.00 C ATOM 405 N7 DA A 13 2.934 11.472 2.158 1.00 0.00 N ATOM 406 C5 DA A 13 2.291 10.879 3.237 1.00 0.00 C ATOM 407 C6 DA A 13 2.774 10.189 4.363 1.00 0.00 C ATOM 408 N6 DA A 13 4.068 9.972 4.601 1.00 0.00 N ATOM 409 N1 DA A 13 1.867 9.726 5.250 1.00 0.00 N ATOM 410 C2 DA A 13 0.564 9.943 5.011 1.00 0.00 C ATOM 411 N3 DA A 13 -0.008 10.578 3.992 1.00 0.00 N ATOM 412 C4 DA A 13 0.920 11.026 3.129 1.00 0.00 C ATOM 0 H5' DA A 13 -0.333 13.864 -2.512 1.00 0.00 H new ATOM 0 H5'' DA A 13 0.564 14.226 -1.051 1.00 0.00 H new ATOM 0 H4' DA A 13 -1.854 12.619 -1.480 1.00 0.00 H new ATOM 0 H3' DA A 13 -1.622 14.915 -0.099 1.00 0.00 H new ATOM 0 H2' DA A 13 0.058 14.204 1.513 1.00 0.00 H new ATOM 0 H2'' DA A 13 -1.420 13.883 2.398 1.00 0.00 H new ATOM 0 HO3' DA A 13 -3.418 14.256 1.110 1.00 0.00 H new ATOM 0 H1' DA A 13 -1.345 11.619 2.016 1.00 0.00 H new ATOM 0 H8 DA A 13 2.112 12.488 0.509 1.00 0.00 H new ATOM 0 H61 DA A 13 4.354 9.464 5.438 1.00 0.00 H new ATOM 0 H62 DA A 13 4.771 10.314 3.946 1.00 0.00 H new ATOM 0 H2 DA A 13 -0.116 9.546 5.750 1.00 0.00 H new TER 425 DA A 13