USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 184 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.0017 (180deg=-0.0017) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0982) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.167 (180deg=-0.167) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.199 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.769 1.860 -8.828 1.00 8.00 P ATOM 2 OP1 DC A 1 6.747 2.005 -10.292 1.00 8.00 O ATOM 3 OP2 DC A 1 6.214 0.617 -8.246 1.00 8.00 O ATOM 4 O5' DC A 1 8.286 1.995 -8.347 1.00 8.00 O ATOM 5 C5' DC A 1 9.160 0.871 -8.272 1.00 8.00 C ATOM 6 C4' DC A 1 10.454 1.201 -7.491 1.00 8.00 C ATOM 7 O4' DC A 1 11.373 1.895 -8.318 1.00 8.00 O ATOM 8 C3' DC A 1 10.101 2.123 -6.332 1.00 8.00 C ATOM 9 O3' DC A 1 10.845 2.043 -5.119 1.00 8.00 O ATOM 10 C2' DC A 1 10.380 3.486 -6.872 1.00 8.00 C ATOM 11 C1' DC A 1 11.542 3.212 -7.825 1.00 8.00 C ATOM 12 N1 DC A 1 11.525 4.137 -8.979 1.00 8.00 N ATOM 13 C2 DC A 1 12.619 4.959 -9.206 1.00 8.00 C ATOM 14 O2 DC A 1 13.552 4.998 -8.411 1.00 8.00 O ATOM 15 N3 DC A 1 12.650 5.733 -10.317 1.00 8.00 N ATOM 16 C4 DC A 1 11.642 5.694 -11.165 1.00 8.00 C ATOM 17 N4 DC A 1 11.748 6.459 -12.228 1.00 8.00 N ATOM 18 C5 DC A 1 10.495 4.879 -10.971 1.00 8.00 C ATOM 19 C6 DC A 1 10.482 4.111 -9.861 1.00 8.00 C ATOM 0 H5' DC A 1 9.417 0.542 -9.279 1.00 8.00 H new ATOM 0 H5'' DC A 1 8.645 0.041 -7.788 1.00 8.00 H new ATOM 0 H4' DC A 1 10.899 0.268 -7.145 1.00 8.00 H new ATOM 0 H3' DC A 1 9.087 1.852 -6.039 1.00 8.00 H new ATOM 0 H2' DC A 1 9.517 3.906 -7.389 1.00 8.00 H new ATOM 0 H2'' DC A 1 10.653 4.189 -6.086 1.00 8.00 H new ATOM 0 H1' DC A 1 12.484 3.344 -7.292 1.00 8.00 H new ATOM 0 H41 DC A 1 11.001 6.474 -12.922 1.00 8.00 H new ATOM 0 H42 DC A 1 12.577 7.038 -12.359 1.00 8.00 H new ATOM 0 H5 DC A 1 9.676 4.874 -11.675 1.00 8.00 H new ATOM 0 H6 DC A 1 9.636 3.468 -9.668 1.00 8.00 H new ATOM 31 P DA A 2 10.056 2.397 -3.759 1.00 8.00 P ATOM 32 OP1 DA A 2 9.462 3.762 -3.790 1.00 8.00 O ATOM 33 OP2 DA A 2 10.702 1.955 -2.494 1.00 8.00 O ATOM 34 O5' DA A 2 8.952 1.316 -4.048 1.00 8.00 O ATOM 35 C5' DA A 2 9.389 -0.015 -4.190 1.00 8.00 C ATOM 36 C4' DA A 2 8.731 -0.784 -3.047 1.00 8.00 C ATOM 37 O4' DA A 2 7.414 -0.266 -2.889 1.00 8.00 O ATOM 38 C3' DA A 2 8.587 -2.307 -3.148 1.00 8.00 C ATOM 39 O3' DA A 2 9.135 -3.011 -2.039 1.00 8.00 O ATOM 40 C2' DA A 2 7.103 -2.598 -3.342 1.00 8.00 C ATOM 41 C1' DA A 2 6.427 -1.255 -3.067 1.00 8.00 C ATOM 42 N9 DA A 2 5.462 -0.903 -4.136 1.00 8.00 N ATOM 43 C8 DA A 2 5.501 -1.136 -5.492 1.00 8.00 C ATOM 44 N7 DA A 2 4.370 -0.941 -6.115 1.00 8.00 N ATOM 45 C5 DA A 2 3.553 -0.440 -5.100 1.00 8.00 C ATOM 46 C6 DA A 2 2.249 0.072 -5.061 1.00 8.00 C ATOM 47 N6 DA A 2 1.439 0.078 -6.107 1.00 8.00 N ATOM 48 N1 DA A 2 1.749 0.541 -3.921 1.00 8.00 N ATOM 49 C2 DA A 2 2.512 0.518 -2.839 1.00 8.00 C ATOM 50 N3 DA A 2 3.750 0.077 -2.731 1.00 8.00 N ATOM 51 C4 DA A 2 4.224 -0.370 -3.914 1.00 8.00 C ATOM 0 H5' DA A 2 10.476 -0.080 -4.132 1.00 8.00 H new ATOM 0 H5'' DA A 2 9.096 -0.423 -5.157 1.00 8.00 H new ATOM 0 H4' DA A 2 9.423 -0.636 -2.218 1.00 8.00 H new ATOM 0 H3' DA A 2 9.170 -2.670 -3.994 1.00 8.00 H new ATOM 0 H2' DA A 2 6.894 -2.951 -4.352 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.754 -3.369 -2.655 1.00 8.00 H new ATOM 0 H1' DA A 2 5.844 -1.327 -2.149 1.00 8.00 H new ATOM 0 H8 DA A 2 6.398 -1.456 -6.002 1.00 8.00 H new ATOM 0 H61 DA A 2 0.499 0.464 -6.022 1.00 8.00 H new ATOM 0 H62 DA A 2 1.755 -0.303 -6.999 1.00 8.00 H new ATOM 0 H2 DA A 2 2.066 0.908 -1.936 1.00 8.00 H new ATOM 63 P DT A 3 8.811 -2.694 -0.486 1.00 8.00 P ATOM 64 OP1 DT A 3 9.246 -1.309 -0.162 1.00 8.00 O ATOM 65 OP2 DT A 3 9.361 -3.816 0.312 1.00 8.00 O ATOM 66 O5' DT A 3 7.214 -2.826 -0.374 1.00 8.00 O ATOM 67 C5' DT A 3 6.526 -2.460 0.804 1.00 8.00 C ATOM 68 C4' DT A 3 5.031 -2.826 0.773 1.00 8.00 C ATOM 69 O4' DT A 3 4.393 -2.251 -0.358 1.00 8.00 O ATOM 70 C3' DT A 3 4.721 -4.329 0.691 1.00 8.00 C ATOM 71 O3' DT A 3 4.339 -4.875 1.942 1.00 8.00 O ATOM 72 C2' DT A 3 3.488 -4.374 -0.220 1.00 8.00 C ATOM 73 C1' DT A 3 3.159 -2.909 -0.514 1.00 8.00 C ATOM 74 N1 DT A 3 2.657 -2.795 -1.900 1.00 8.00 N ATOM 75 C2 DT A 3 1.345 -2.403 -2.108 1.00 8.00 C ATOM 76 O2 DT A 3 0.603 -2.015 -1.218 1.00 8.00 O ATOM 77 N3 DT A 3 0.885 -2.489 -3.396 1.00 8.00 N ATOM 78 C4 DT A 3 1.559 -3.005 -4.472 1.00 8.00 C ATOM 79 O4 DT A 3 1.013 -3.010 -5.570 1.00 8.00 O ATOM 80 C5 DT A 3 2.896 -3.481 -4.164 1.00 8.00 C ATOM 81 C7 DT A 3 3.708 -4.312 -5.141 1.00 8.00 C ATOM 82 C6 DT A 3 3.391 -3.330 -2.919 1.00 8.00 C ATOM 0 H5' DT A 3 6.627 -1.386 0.957 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.995 -2.949 1.658 1.00 8.00 H new ATOM 0 H4' DT A 3 4.664 -2.441 1.724 1.00 8.00 H new ATOM 0 H3' DT A 3 5.590 -4.891 0.350 1.00 8.00 H new ATOM 0 H2' DT A 3 3.695 -4.924 -1.138 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.653 -4.875 0.270 1.00 8.00 H new ATOM 0 H1' DT A 3 2.391 -2.487 0.134 1.00 8.00 H new ATOM 0 H3 DT A 3 -0.054 -2.133 -3.572 1.00 8.00 H new ATOM 0 H71 DT A 3 4.770 -4.118 -4.989 1.00 8.00 H new ATOM 0 H72 DT A 3 3.505 -5.370 -4.975 1.00 8.00 H new ATOM 0 H73 DT A 3 3.433 -4.045 -6.162 1.00 8.00 H new ATOM 0 H6 DT A 3 4.405 -3.644 -2.721 1.00 8.00 H new ATOM 95 P DT A 4 5.328 -5.816 2.792 1.00 8.00 P ATOM 96 OP1 DT A 4 6.701 -5.723 2.246 1.00 8.00 O ATOM 97 OP2 DT A 4 4.621 -7.116 2.817 1.00 8.00 O ATOM 98 O5' DT A 4 5.297 -5.206 4.271 1.00 8.00 O ATOM 99 C5' DT A 4 6.199 -4.191 4.663 1.00 8.00 C ATOM 100 C4' DT A 4 5.841 -3.467 5.981 1.00 8.00 C ATOM 101 O4' DT A 4 4.574 -2.836 5.830 1.00 8.00 O ATOM 102 C3' DT A 4 5.687 -4.368 7.211 1.00 8.00 C ATOM 103 O3' DT A 4 5.698 -3.557 8.369 1.00 8.00 O ATOM 104 C2' DT A 4 4.239 -4.776 7.070 1.00 8.00 C ATOM 105 C1' DT A 4 3.641 -3.430 6.724 1.00 8.00 C ATOM 106 N1 DT A 4 2.336 -3.683 6.100 1.00 8.00 N ATOM 107 C2 DT A 4 1.209 -3.692 6.902 1.00 8.00 C ATOM 108 O2 DT A 4 1.223 -3.464 8.104 1.00 8.00 O ATOM 109 N3 DT A 4 0.024 -3.979 6.280 1.00 8.00 N ATOM 110 C4 DT A 4 -0.137 -4.224 4.940 1.00 8.00 C ATOM 111 O4 DT A 4 -1.265 -4.431 4.510 1.00 8.00 O ATOM 112 C5 DT A 4 1.090 -4.219 4.158 1.00 8.00 C ATOM 113 C7 DT A 4 1.010 -4.354 2.645 1.00 8.00 C ATOM 114 C6 DT A 4 2.278 -3.967 4.770 1.00 8.00 C ATOM 0 H5' DT A 4 6.258 -3.451 3.865 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.192 -4.629 4.766 1.00 8.00 H new ATOM 0 H4' DT A 4 6.678 -2.791 6.153 1.00 8.00 H new ATOM 0 H3' DT A 4 6.438 -5.155 7.279 1.00 8.00 H new ATOM 0 H2' DT A 4 4.086 -5.518 6.286 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.829 -5.194 7.989 1.00 8.00 H new ATOM 0 H1' DT A 4 3.474 -2.767 7.573 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.812 -4.014 6.864 1.00 8.00 H new ATOM 0 H71 DT A 4 1.848 -3.827 2.188 1.00 8.00 H new ATOM 0 H72 DT A 4 1.051 -5.408 2.371 1.00 8.00 H new ATOM 0 H73 DT A 4 0.074 -3.923 2.290 1.00 8.00 H new ATOM 0 H6 DT A 4 3.190 -3.993 4.192 1.00 8.00 H new ATOM 127 P DC A 5 6.757 -3.697 9.539 1.00 8.00 P ATOM 128 OP1 DC A 5 6.951 -5.109 9.908 1.00 8.00 O ATOM 129 OP2 DC A 5 6.431 -2.654 10.539 1.00 8.00 O ATOM 130 O5' DC A 5 8.071 -3.123 8.862 1.00 8.00 O ATOM 131 C5' DC A 5 9.338 -3.454 9.382 1.00 8.00 C ATOM 132 C4' DC A 5 10.374 -2.440 8.887 1.00 8.00 C ATOM 133 O4' DC A 5 11.693 -2.929 9.110 1.00 8.00 O ATOM 134 C3' DC A 5 10.272 -2.165 7.392 1.00 8.00 C ATOM 135 O3' DC A 5 10.482 -0.800 7.096 1.00 8.00 O ATOM 136 C2' DC A 5 11.422 -2.917 6.793 1.00 8.00 C ATOM 137 C1' DC A 5 12.441 -2.755 7.918 1.00 8.00 C ATOM 138 N1 DC A 5 13.477 -3.803 7.824 1.00 8.00 N ATOM 139 C2 DC A 5 14.810 -3.432 7.720 1.00 8.00 C ATOM 140 O2 DC A 5 15.137 -2.251 7.696 1.00 8.00 O ATOM 141 N3 DC A 5 15.759 -4.395 7.635 1.00 8.00 N ATOM 142 C4 DC A 5 15.405 -5.664 7.655 1.00 8.00 C ATOM 143 N4 DC A 5 16.378 -6.540 7.560 1.00 8.00 N ATOM 144 C5 DC A 5 14.053 -6.090 7.750 1.00 8.00 C ATOM 145 C6 DC A 5 13.119 -5.119 7.838 1.00 8.00 C ATOM 0 H5' DC A 5 9.620 -4.460 9.070 1.00 8.00 H new ATOM 0 H5'' DC A 5 9.307 -3.456 10.472 1.00 8.00 H new ATOM 0 H4' DC A 5 10.171 -1.525 9.443 1.00 8.00 H new ATOM 0 H3' DC A 5 9.288 -2.450 7.019 1.00 8.00 H new ATOM 0 H2' DC A 5 11.181 -3.961 6.593 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.763 -2.483 5.853 1.00 8.00 H new ATOM 0 H1' DC A 5 12.948 -1.791 7.877 1.00 8.00 H new ATOM 0 H41 DC A 5 16.168 -7.538 7.570 1.00 8.00 H new ATOM 0 H42 DC A 5 17.344 -6.222 7.477 1.00 8.00 H new ATOM 0 H5 DC A 5 13.786 -7.137 7.752 1.00 8.00 H new ATOM 0 H6 DC A 5 12.076 -5.388 7.920 1.00 8.00 H new ATOM 157 P DA A 6 9.238 0.170 6.920 1.00 8.00 P ATOM 158 OP1 DA A 6 9.659 1.456 6.299 1.00 8.00 O ATOM 159 OP2 DA A 6 8.436 0.164 8.169 1.00 8.00 O ATOM 160 O5' DA A 6 8.420 -0.655 5.826 1.00 8.00 O ATOM 161 C5' DA A 6 9.044 -1.245 4.698 1.00 8.00 C ATOM 162 C4' DA A 6 8.335 -0.776 3.437 1.00 8.00 C ATOM 163 O4' DA A 6 6.963 -1.078 3.571 1.00 8.00 O ATOM 164 C3' DA A 6 8.483 0.734 3.294 1.00 8.00 C ATOM 165 O3' DA A 6 8.799 1.055 1.970 1.00 8.00 O ATOM 166 C2' DA A 6 7.156 1.312 3.784 1.00 8.00 C ATOM 167 C1' DA A 6 6.225 0.118 3.663 1.00 8.00 C ATOM 168 N9 DA A 6 5.283 0.049 4.792 1.00 8.00 N ATOM 169 C8 DA A 6 5.455 0.203 6.148 1.00 8.00 C ATOM 170 N7 DA A 6 4.349 0.116 6.842 1.00 8.00 N ATOM 171 C5 DA A 6 3.393 -0.187 5.866 1.00 8.00 C ATOM 172 C6 DA A 6 2.024 -0.502 5.867 1.00 8.00 C ATOM 173 N6 DA A 6 1.244 -0.556 6.936 1.00 8.00 N ATOM 174 N1 DA A 6 1.436 -0.841 4.723 1.00 8.00 N ATOM 175 C2 DA A 6 2.137 -0.851 3.602 1.00 8.00 C ATOM 176 N3 DA A 6 3.407 -0.569 3.452 1.00 8.00 N ATOM 177 C4 DA A 6 3.975 -0.261 4.633 1.00 8.00 C ATOM 0 H5' DA A 6 9.003 -2.332 4.771 1.00 8.00 H new ATOM 0 H5'' DA A 6 10.098 -0.968 4.663 1.00 8.00 H new ATOM 0 H4' DA A 6 8.765 -1.268 2.565 1.00 8.00 H new ATOM 0 H3' DA A 6 9.299 1.156 3.881 1.00 8.00 H new ATOM 0 H2' DA A 6 7.223 1.674 4.810 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.825 2.150 3.171 1.00 8.00 H new ATOM 0 H1' DA A 6 5.644 0.247 2.750 1.00 8.00 H new ATOM 0 H8 DA A 6 6.419 0.380 6.601 1.00 8.00 H new ATOM 0 H61 DA A 6 0.257 -0.795 6.836 1.00 8.00 H new ATOM 0 H62 DA A 6 1.630 -0.359 7.859 1.00 8.00 H new ATOM 0 H2 DA A 6 1.600 -1.123 2.706 1.00 8.00 H new ATOM 189 P DT A 7 8.958 2.562 1.547 1.00 8.00 P ATOM 190 OP1 DT A 7 9.843 2.576 0.356 1.00 8.00 O ATOM 191 OP2 DT A 7 9.301 3.342 2.765 1.00 8.00 O ATOM 192 O5' DT A 7 7.485 2.889 1.041 1.00 8.00 O ATOM 193 C5' DT A 7 6.854 2.036 0.094 1.00 8.00 C ATOM 194 C4' DT A 7 5.389 2.419 -0.138 1.00 8.00 C ATOM 195 O4' DT A 7 4.620 1.864 0.911 1.00 8.00 O ATOM 196 C3' DT A 7 5.081 3.928 -0.164 1.00 8.00 C ATOM 197 O3' DT A 7 4.806 4.414 -1.465 1.00 8.00 O ATOM 198 C2' DT A 7 3.841 4.020 0.728 1.00 8.00 C ATOM 199 C1' DT A 7 3.410 2.574 0.963 1.00 8.00 C ATOM 200 N1 DT A 7 2.854 2.444 2.320 1.00 8.00 N ATOM 201 C2 DT A 7 1.505 2.199 2.485 1.00 8.00 C ATOM 202 O2 DT A 7 0.737 1.963 1.565 1.00 8.00 O ATOM 203 N3 DT A 7 1.040 2.245 3.773 1.00 8.00 N ATOM 204 C4 DT A 7 1.756 2.611 4.885 1.00 8.00 C ATOM 205 O4 DT A 7 1.195 2.631 5.975 1.00 8.00 O ATOM 206 C5 DT A 7 3.147 2.932 4.624 1.00 8.00 C ATOM 207 C7 DT A 7 4.040 3.597 5.654 1.00 8.00 C ATOM 208 C6 DT A 7 3.636 2.807 3.376 1.00 8.00 C ATOM 0 H5' DT A 7 6.908 1.005 0.443 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.395 2.082 -0.851 1.00 8.00 H new ATOM 0 H4' DT A 7 5.148 2.037 -1.130 1.00 8.00 H new ATOM 0 H3' DT A 7 5.924 4.532 0.171 1.00 8.00 H new ATOM 0 H2' DT A 7 4.069 4.521 1.669 1.00 8.00 H new ATOM 0 H2'' DT A 7 3.050 4.593 0.245 1.00 8.00 H new ATOM 0 H1' DT A 7 2.662 2.229 0.249 1.00 8.00 H new ATOM 0 H3 DT A 7 0.066 1.981 3.920 1.00 8.00 H new ATOM 0 H71 DT A 7 5.071 3.279 5.501 1.00 8.00 H new ATOM 0 H72 DT A 7 3.975 4.680 5.547 1.00 8.00 H new ATOM 0 H73 DT A 7 3.717 3.311 6.655 1.00 8.00 H new ATOM 0 H6 DT A 7 4.685 3.001 3.205 1.00 8.00 H new ATOM 221 P DT A 8 6.001 4.716 -2.497 1.00 8.00 P ATOM 222 OP1 DT A 8 7.261 4.084 -2.059 1.00 8.00 O ATOM 223 OP2 DT A 8 6.141 6.148 -2.812 1.00 8.00 O ATOM 224 O5' DT A 8 5.639 4.078 -3.919 1.00 8.00 O ATOM 225 C5' DT A 8 6.065 2.798 -4.321 1.00 8.00 C ATOM 226 C4' DT A 8 5.672 2.425 -5.777 1.00 8.00 C ATOM 227 O4' DT A 8 4.281 2.153 -5.829 1.00 8.00 O ATOM 228 C3' DT A 8 5.930 3.510 -6.834 1.00 8.00 C ATOM 229 O3' DT A 8 5.936 3.101 -8.201 1.00 8.00 O ATOM 230 C2' DT A 8 4.628 4.293 -6.692 1.00 8.00 C ATOM 231 C1' DT A 8 3.623 3.157 -6.573 1.00 8.00 C ATOM 232 N1 DT A 8 2.406 3.603 -5.862 1.00 8.00 N ATOM 233 C2 DT A 8 1.269 3.893 -6.594 1.00 8.00 C ATOM 234 O2 DT A 8 1.198 3.773 -7.810 1.00 8.00 O ATOM 235 N3 DT A 8 0.188 4.355 -5.887 1.00 8.00 N ATOM 236 C4 DT A 8 0.127 4.518 -4.523 1.00 8.00 C ATOM 237 O4 DT A 8 -0.930 4.888 -4.028 1.00 8.00 O ATOM 238 C5 DT A 8 1.357 4.201 -3.813 1.00 8.00 C ATOM 239 C7 DT A 8 1.443 4.322 -2.294 1.00 8.00 C ATOM 240 C6 DT A 8 2.436 3.764 -4.507 1.00 8.00 C ATOM 0 H5' DT A 8 5.644 2.057 -3.642 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.149 2.741 -4.223 1.00 8.00 H new ATOM 0 H4' DT A 8 6.306 1.571 -6.018 1.00 8.00 H new ATOM 0 H3' DT A 8 6.904 3.969 -6.664 1.00 8.00 H new ATOM 0 H2' DT A 8 4.628 4.939 -5.814 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.432 4.929 -7.555 1.00 8.00 H new ATOM 0 H1' DT A 8 3.303 2.801 -7.553 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.646 4.600 -6.421 1.00 8.00 H new ATOM 0 H71 DT A 8 2.158 3.594 -1.911 1.00 8.00 H new ATOM 0 H72 DT A 8 1.770 5.327 -2.027 1.00 8.00 H new ATOM 0 H73 DT A 8 0.462 4.132 -1.858 1.00 8.00 H new ATOM 0 H6 DT A 8 3.346 3.536 -3.972 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -6.446 -5.847 -8.399 1.00 8.00 P ATOM 255 OP1 DC B 1 -7.567 -6.670 -7.881 1.00 8.00 O ATOM 256 OP2 DC B 1 -5.157 -6.463 -8.803 1.00 8.00 O ATOM 257 O5' DC B 1 -7.018 -4.907 -9.578 1.00 8.00 O ATOM 258 C5' DC B 1 -6.743 -3.507 -9.673 1.00 8.00 C ATOM 259 C4' DC B 1 -8.003 -2.639 -9.455 1.00 8.00 C ATOM 260 O4' DC B 1 -8.924 -2.987 -10.479 1.00 8.00 O ATOM 261 C3' DC B 1 -8.731 -2.955 -8.128 1.00 8.00 C ATOM 262 O3' DC B 1 -8.753 -2.130 -7.001 1.00 8.00 O ATOM 263 C2' DC B 1 -10.189 -3.157 -8.498 1.00 8.00 C ATOM 264 C1' DC B 1 -10.251 -2.898 -9.998 1.00 8.00 C ATOM 265 N1 DC B 1 -11.068 -3.940 -10.648 1.00 8.00 N ATOM 266 C2 DC B 1 -12.293 -3.596 -11.200 1.00 8.00 C ATOM 267 O2 DC B 1 -12.696 -2.439 -11.164 1.00 8.00 O ATOM 268 N3 DC B 1 -13.051 -4.557 -11.780 1.00 8.00 N ATOM 269 C4 DC B 1 -12.617 -5.800 -11.806 1.00 8.00 C ATOM 270 N4 DC B 1 -13.410 -6.675 -12.379 1.00 8.00 N ATOM 271 C5 DC B 1 -11.379 -6.204 -11.235 1.00 8.00 C ATOM 272 C6 DC B 1 -10.630 -5.233 -10.668 1.00 8.00 C ATOM 0 H5' DC B 1 -6.321 -3.289 -10.654 1.00 8.00 H new ATOM 0 H5'' DC B 1 -5.988 -3.238 -8.934 1.00 8.00 H new ATOM 0 H4' DC B 1 -7.689 -1.595 -9.451 1.00 8.00 H new ATOM 0 H3' DC B 1 -8.107 -3.771 -7.764 1.00 8.00 H new ATOM 0 H2' DC B 1 -10.522 -4.167 -8.257 1.00 8.00 H new ATOM 0 H2'' DC B 1 -10.834 -2.470 -7.951 1.00 8.00 H new ATOM 0 H1' DC B 1 -10.692 -1.924 -10.209 1.00 8.00 H new ATOM 0 H41 DC B 1 -13.134 -7.655 -12.433 1.00 8.00 H new ATOM 0 H42 DC B 1 -14.303 -6.375 -12.770 1.00 8.00 H new ATOM 0 H5 DC B 1 -11.054 -7.234 -11.254 1.00 8.00 H new ATOM 0 H6 DC B 1 -9.676 -5.482 -10.227 1.00 8.00 H new ATOM 284 P DA B 2 -9.439 -2.762 -5.678 1.00 8.00 P ATOM 285 OP1 DA B 2 -8.947 -4.148 -5.494 1.00 8.00 O ATOM 286 OP2 DA B 2 -10.896 -2.548 -5.696 1.00 8.00 O ATOM 287 O5' DA B 2 -8.842 -1.820 -4.557 1.00 8.00 O ATOM 288 C5' DA B 2 -9.483 -0.575 -4.399 1.00 8.00 C ATOM 289 C4' DA B 2 -8.757 0.335 -3.386 1.00 8.00 C ATOM 290 O4' DA B 2 -7.521 -0.306 -3.047 1.00 8.00 O ATOM 291 C3' DA B 2 -8.389 1.747 -3.886 1.00 8.00 C ATOM 292 O3' DA B 2 -8.880 2.846 -3.134 1.00 8.00 O ATOM 293 C2' DA B 2 -6.883 1.772 -4.043 1.00 8.00 C ATOM 294 C1' DA B 2 -6.386 0.476 -3.405 1.00 8.00 C ATOM 295 N9 DA B 2 -5.448 -0.209 -4.336 1.00 8.00 N ATOM 296 C8 DA B 2 -5.550 -0.388 -5.695 1.00 8.00 C ATOM 297 N7 DA B 2 -4.456 -0.765 -6.292 1.00 8.00 N ATOM 298 C5 DA B 2 -3.573 -0.926 -5.231 1.00 8.00 C ATOM 299 C6 DA B 2 -2.260 -1.408 -5.124 1.00 8.00 C ATOM 300 N6 DA B 2 -1.525 -1.793 -6.155 1.00 8.00 N ATOM 301 N1 DA B 2 -1.685 -1.517 -3.930 1.00 8.00 N ATOM 302 C2 DA B 2 -2.378 -1.157 -2.864 1.00 8.00 C ATOM 303 N3 DA B 2 -3.613 -0.691 -2.814 1.00 8.00 N ATOM 304 C4 DA B 2 -4.173 -0.624 -4.040 1.00 8.00 C ATOM 0 H5' DA B 2 -10.509 -0.737 -4.068 1.00 8.00 H new ATOM 0 H5'' DA B 2 -9.535 -0.071 -5.364 1.00 8.00 H new ATOM 0 H4' DA B 2 -9.456 0.470 -2.561 1.00 8.00 H new ATOM 0 H3' DA B 2 -8.906 1.904 -4.833 1.00 8.00 H new ATOM 0 H2' DA B 2 -6.599 1.827 -5.094 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.451 2.643 -3.550 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.819 0.661 -2.493 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.474 -0.227 -6.231 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.575 -2.134 -6.005 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.908 -1.749 -7.099 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.871 -1.256 -1.915 1.00 8.00 H new ATOM 316 P DT B 3 -8.654 3.079 -1.559 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.253 1.948 -0.818 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.119 4.447 -1.240 1.00 8.00 O ATOM 319 O5' DT B 3 -7.078 3.068 -1.309 1.00 8.00 O ATOM 320 C5' DT B 3 -6.561 2.851 -0.011 1.00 8.00 C ATOM 321 C4' DT B 3 -5.040 3.041 0.034 1.00 8.00 C ATOM 322 O4' DT B 3 -4.400 2.185 -0.899 1.00 8.00 O ATOM 323 C3' DT B 3 -4.594 4.468 -0.317 1.00 8.00 C ATOM 324 O3' DT B 3 -4.237 5.208 0.832 1.00 8.00 O ATOM 325 C2' DT B 3 -3.356 4.232 -1.182 1.00 8.00 C ATOM 326 C1' DT B 3 -3.119 2.723 -1.133 1.00 8.00 C ATOM 327 N1 DT B 3 -2.607 2.280 -2.442 1.00 8.00 N ATOM 328 C2 DT B 3 -1.308 1.818 -2.540 1.00 8.00 C ATOM 329 O2 DT B 3 -0.578 1.618 -1.582 1.00 8.00 O ATOM 330 N3 DT B 3 -0.850 1.573 -3.809 1.00 8.00 N ATOM 331 C4 DT B 3 -1.531 1.801 -4.978 1.00 8.00 C ATOM 332 O4 DT B 3 -1.005 1.508 -6.043 1.00 8.00 O ATOM 333 C5 DT B 3 -2.849 2.376 -4.802 1.00 8.00 C ATOM 334 C7 DT B 3 -3.649 2.945 -5.957 1.00 8.00 C ATOM 335 C6 DT B 3 -3.333 2.564 -3.560 1.00 8.00 C ATOM 0 H5' DT B 3 -6.811 1.842 0.316 1.00 8.00 H new ATOM 0 H5'' DT B 3 -7.034 3.540 0.689 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.759 2.814 1.062 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.384 5.040 -0.804 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.519 4.573 -2.205 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.496 4.779 -0.797 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.398 2.416 -0.375 1.00 8.00 H new ATOM 0 H3 DT B 3 0.089 1.183 -3.892 1.00 8.00 H new ATOM 0 H71 DT B 3 -2.968 3.336 -6.713 1.00 8.00 H new ATOM 0 H72 DT B 3 -4.265 2.159 -6.395 1.00 8.00 H new ATOM 0 H73 DT B 3 -4.290 3.749 -5.595 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.333 2.954 -3.445 1.00 8.00 H new ATOM 348 P DT B 4 -5.263 6.257 1.503 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.603 6.075 0.897 1.00 8.00 O ATOM 350 OP2 DT B 4 -4.637 7.591 1.462 1.00 8.00 O ATOM 351 O5' DT B 4 -5.372 5.810 3.038 1.00 8.00 O ATOM 352 C5' DT B 4 -6.266 4.811 3.482 1.00 8.00 C ATOM 353 C4' DT B 4 -5.879 4.249 4.861 1.00 8.00 C ATOM 354 O4' DT B 4 -4.559 3.737 4.803 1.00 8.00 O ATOM 355 C3' DT B 4 -5.872 5.275 5.997 1.00 8.00 C ATOM 356 O3' DT B 4 -6.102 4.481 7.148 1.00 8.00 O ATOM 357 C2' DT B 4 -4.446 5.782 5.875 1.00 8.00 C ATOM 358 C1' DT B 4 -3.737 4.470 5.685 1.00 8.00 C ATOM 359 N1 DT B 4 -2.423 4.766 5.117 1.00 8.00 N ATOM 360 C2 DT B 4 -1.377 5.000 5.984 1.00 8.00 C ATOM 361 O2 DT B 4 -1.521 5.045 7.208 1.00 8.00 O ATOM 362 N3 DT B 4 -0.156 5.225 5.405 1.00 8.00 N ATOM 363 C4 DT B 4 0.092 5.252 4.050 1.00 8.00 C ATOM 364 O4 DT B 4 1.250 5.391 3.677 1.00 8.00 O ATOM 365 C5 DT B 4 -1.087 5.119 3.201 1.00 8.00 C ATOM 366 C7 DT B 4 -0.963 5.119 1.683 1.00 8.00 C ATOM 367 C6 DT B 4 -2.298 4.901 3.771 1.00 8.00 C ATOM 0 H5' DT B 4 -6.289 3.999 2.755 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.273 5.224 3.531 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.640 3.499 5.078 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.583 6.101 6.006 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.312 6.458 5.030 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.112 6.314 6.766 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.577 3.898 6.599 1.00 8.00 H new ATOM 0 H3 DT B 4 0.635 5.386 6.029 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.761 4.514 1.253 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.042 6.141 1.311 1.00 8.00 H new ATOM 0 H73 DT B 4 0.003 4.703 1.397 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.176 4.834 3.146 1.00 8.00 H new ATOM 380 P DC B 5 -5.678 4.861 8.631 1.00 8.00 P ATOM 381 OP1 DC B 5 -5.158 6.237 8.723 1.00 8.00 O ATOM 382 OP2 DC B 5 -4.717 3.806 9.025 1.00 8.00 O ATOM 383 O5' DC B 5 -7.015 4.682 9.461 1.00 8.00 O ATOM 384 C5' DC B 5 -8.218 5.299 9.048 1.00 8.00 C ATOM 385 C4' DC B 5 -9.306 4.227 8.876 1.00 8.00 C ATOM 386 O4' DC B 5 -10.546 4.758 9.324 1.00 8.00 O ATOM 387 C3' DC B 5 -9.531 3.756 7.438 1.00 8.00 C ATOM 388 O3' DC B 5 -9.952 2.416 7.413 1.00 8.00 O ATOM 389 C2' DC B 5 -10.735 4.546 6.990 1.00 8.00 C ATOM 390 C1' DC B 5 -11.514 4.617 8.300 1.00 8.00 C ATOM 391 N1 DC B 5 -12.377 5.814 8.308 1.00 8.00 N ATOM 392 C2 DC B 5 -13.748 5.665 8.444 1.00 8.00 C ATOM 393 O2 DC B 5 -14.259 4.555 8.527 1.00 8.00 O ATOM 394 N3 DC B 5 -14.530 6.771 8.477 1.00 8.00 N ATOM 395 C4 DC B 5 -13.977 7.963 8.379 1.00 8.00 C ATOM 396 N4 DC B 5 -14.800 8.987 8.417 1.00 8.00 N ATOM 397 C5 DC B 5 -12.578 8.161 8.227 1.00 8.00 C ATOM 398 C6 DC B 5 -11.812 7.050 8.201 1.00 8.00 C ATOM 0 H5' DC B 5 -8.064 5.831 8.109 1.00 8.00 H new ATOM 0 H5'' DC B 5 -8.533 6.038 9.785 1.00 8.00 H new ATOM 0 H4' DC B 5 -8.956 3.370 9.452 1.00 8.00 H new ATOM 0 H3' DC B 5 -8.625 3.872 6.843 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.468 5.532 6.611 1.00 8.00 H new ATOM 0 H2'' DC B 5 -11.293 4.042 6.201 1.00 8.00 H new ATOM 0 H1' DC B 5 -12.137 3.733 8.433 1.00 8.00 H new ATOM 0 H41 DC B 5 -14.436 9.937 8.346 1.00 8.00 H new ATOM 0 H42 DC B 5 -15.803 8.832 8.517 1.00 8.00 H new ATOM 0 H5 DC B 5 -12.150 9.149 8.137 1.00 8.00 H new ATOM 0 H6 DC B 5 -10.741 7.141 8.094 1.00 8.00 H new ATOM 410 P DA B 6 -8.901 1.232 7.296 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.600 -0.061 7.380 1.00 8.00 O ATOM 412 OP2 DA B 6 -7.734 1.511 8.171 1.00 8.00 O ATOM 413 O5' DA B 6 -8.380 1.406 5.797 1.00 8.00 O ATOM 414 C5' DA B 6 -9.253 1.656 4.726 1.00 8.00 C ATOM 415 C4' DA B 6 -8.668 1.131 3.413 1.00 8.00 C ATOM 416 O4' DA B 6 -7.311 1.516 3.287 1.00 8.00 O ATOM 417 C3' DA B 6 -8.745 -0.394 3.251 1.00 8.00 C ATOM 418 O3' DA B 6 -9.063 -0.581 1.880 1.00 8.00 O ATOM 419 C2' DA B 6 -7.357 -0.838 3.719 1.00 8.00 C ATOM 420 C1' DA B 6 -6.481 0.380 3.440 1.00 8.00 C ATOM 421 N9 DA B 6 -5.473 0.615 4.491 1.00 8.00 N ATOM 422 C8 DA B 6 -5.578 0.566 5.858 1.00 8.00 C ATOM 423 N7 DA B 6 -4.492 0.889 6.511 1.00 8.00 N ATOM 424 C5 DA B 6 -3.594 1.158 5.472 1.00 8.00 C ATOM 425 C6 DA B 6 -2.252 1.568 5.408 1.00 8.00 C ATOM 426 N6 DA B 6 -1.486 1.754 6.470 1.00 8.00 N ATOM 427 N1 DA B 6 -1.672 1.771 4.227 1.00 8.00 N ATOM 428 C2 DA B 6 -2.384 1.580 3.127 1.00 8.00 C ATOM 429 N3 DA B 6 -3.637 1.190 3.035 1.00 8.00 N ATOM 430 C4 DA B 6 -4.192 1.012 4.252 1.00 8.00 C ATOM 0 H5' DA B 6 -9.438 2.727 4.644 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.215 1.180 4.917 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.286 1.576 2.633 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.483 -0.969 3.809 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.355 -1.100 4.777 1.00 8.00 H new ATOM 0 H2'' DA B 6 -7.011 -1.715 3.173 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.925 0.189 2.522 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.492 0.281 6.359 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.518 2.053 6.354 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.864 1.599 7.405 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.875 1.767 2.193 1.00 8.00 H new ATOM 442 P DT B 7 -8.844 -1.925 1.045 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.344 -1.608 -0.320 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.349 -3.137 1.721 1.00 8.00 O ATOM 445 O5' DT B 7 -7.292 -2.127 0.963 1.00 8.00 O ATOM 446 C5' DT B 7 -6.481 -1.390 0.091 1.00 8.00 C ATOM 447 C4' DT B 7 -5.078 -1.979 0.133 1.00 8.00 C ATOM 448 O4' DT B 7 -4.345 -1.314 1.131 1.00 8.00 O ATOM 449 C3' DT B 7 -4.982 -3.472 0.483 1.00 8.00 C ATOM 450 O3' DT B 7 -4.875 -4.257 -0.674 1.00 8.00 O ATOM 451 C2' DT B 7 -3.715 -3.551 1.325 1.00 8.00 C ATOM 452 C1' DT B 7 -3.225 -2.107 1.416 1.00 8.00 C ATOM 453 N1 DT B 7 -2.849 -1.825 2.806 1.00 8.00 N ATOM 454 C2 DT B 7 -1.563 -1.423 3.069 1.00 8.00 C ATOM 455 O2 DT B 7 -0.742 -1.173 2.204 1.00 8.00 O ATOM 456 N3 DT B 7 -1.238 -1.310 4.390 1.00 8.00 N ATOM 457 C4 DT B 7 -2.012 -1.637 5.466 1.00 8.00 C ATOM 458 O4 DT B 7 -1.537 -1.518 6.591 1.00 8.00 O ATOM 459 C5 DT B 7 -3.352 -2.073 5.112 1.00 8.00 C ATOM 460 C7 DT B 7 -4.299 -2.675 6.126 1.00 8.00 C ATOM 461 C6 DT B 7 -3.720 -2.119 3.815 1.00 8.00 C ATOM 0 H5' DT B 7 -6.462 -0.341 0.386 1.00 8.00 H new ATOM 0 H5'' DT B 7 -6.879 -1.429 -0.923 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.701 -1.854 -0.882 1.00 8.00 H new ATOM 0 H3' DT B 7 -5.863 -3.847 1.004 1.00 8.00 H new ATOM 0 H2' DT B 7 -3.920 -3.963 2.313 1.00 8.00 H new ATOM 0 H2'' DT B 7 -2.969 -4.195 0.860 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.383 -1.924 0.749 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.311 -0.939 4.597 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.327 -2.444 5.846 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.165 -3.756 6.152 1.00 8.00 H new ATOM 0 H73 DT B 7 -4.089 -2.259 7.112 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.734 -2.397 3.568 1.00 8.00 H new ATOM 474 P DT B 8 -6.199 -4.879 -1.325 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.337 -3.938 -1.140 1.00 8.00 O ATOM 476 OP2 DT B 8 -6.404 -6.220 -0.759 1.00 8.00 O ATOM 477 O5' DT B 8 -5.875 -4.921 -2.884 1.00 8.00 O ATOM 478 C5' DT B 8 -6.472 -3.954 -3.720 1.00 8.00 C ATOM 479 C4' DT B 8 -5.936 -3.870 -5.145 1.00 8.00 C ATOM 480 O4' DT B 8 -4.570 -3.518 -5.108 1.00 8.00 O ATOM 481 C3' DT B 8 -6.027 -5.188 -5.895 1.00 8.00 C ATOM 482 O3' DT B 8 -6.109 -4.819 -7.249 1.00 8.00 O ATOM 483 C2' DT B 8 -4.676 -5.784 -5.577 1.00 8.00 C ATOM 484 C1' DT B 8 -3.820 -4.545 -5.710 1.00 8.00 C ATOM 485 N1 DT B 8 -2.578 -4.794 -4.975 1.00 8.00 N ATOM 486 C2 DT B 8 -1.541 -5.393 -5.659 1.00 8.00 C ATOM 487 O2 DT B 8 -1.623 -5.716 -6.847 1.00 8.00 O ATOM 488 N3 DT B 8 -0.416 -5.675 -4.931 1.00 8.00 N ATOM 489 C4 DT B 8 -0.265 -5.456 -3.581 1.00 8.00 C ATOM 490 O4 DT B 8 0.817 -5.717 -3.068 1.00 8.00 O ATOM 491 C5 DT B 8 -1.445 -4.935 -2.901 1.00 8.00 C ATOM 492 C7 DT B 8 -1.426 -4.694 -1.397 1.00 8.00 C ATOM 493 C6 DT B 8 -2.558 -4.634 -3.619 1.00 8.00 C ATOM 0 H5' DT B 8 -6.354 -2.977 -3.252 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.542 -4.157 -3.768 1.00 8.00 H new ATOM 0 H4' DT B 8 -6.548 -3.129 -5.659 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.849 -5.863 -5.657 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.634 -6.217 -4.578 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.389 -6.569 -6.277 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.566 -4.283 -6.737 1.00 8.00 H new ATOM 0 H3 DT B 8 0.375 -6.081 -5.431 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.097 -3.871 -1.152 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.754 -5.596 -0.880 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.413 -4.443 -1.082 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.437 -4.264 -3.112 1.00 8.00 H new TER 506 DT B 8