USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=0 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= -0.0898 (180deg=-0.0898) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00956 (180deg=-0.00956) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.213 (180deg=-0.213) USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.0596 (180deg=-0.0596) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.12 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.160 3.034 -9.065 1.00 8.00 P ATOM 2 OP1 DC A 1 5.346 4.253 -9.281 1.00 8.00 O ATOM 3 OP2 DC A 1 5.712 1.779 -9.708 1.00 8.00 O ATOM 4 O5' DC A 1 7.713 3.293 -9.367 1.00 8.00 O ATOM 5 C5' DC A 1 8.553 2.237 -9.808 1.00 8.00 C ATOM 6 C4' DC A 1 9.772 1.965 -8.917 1.00 8.00 C ATOM 7 O4' DC A 1 10.843 2.820 -9.271 1.00 8.00 O ATOM 8 C3' DC A 1 9.598 2.045 -7.402 1.00 8.00 C ATOM 9 O3' DC A 1 10.074 0.867 -6.809 1.00 8.00 O ATOM 10 C2' DC A 1 10.527 3.156 -6.966 1.00 8.00 C ATOM 11 C1' DC A 1 11.544 3.187 -8.100 1.00 8.00 C ATOM 12 N1 DC A 1 12.020 4.570 -8.284 1.00 8.00 N ATOM 13 C2 DC A 1 13.327 4.886 -7.953 1.00 8.00 C ATOM 14 O2 DC A 1 14.087 4.034 -7.507 1.00 8.00 O ATOM 15 N3 DC A 1 13.760 6.159 -8.120 1.00 8.00 N ATOM 16 C4 DC A 1 12.930 7.071 -8.584 1.00 8.00 C ATOM 17 N4 DC A 1 13.419 8.284 -8.715 1.00 8.00 N ATOM 18 C5 DC A 1 11.574 6.798 -8.911 1.00 8.00 C ATOM 19 C6 DC A 1 11.158 5.523 -8.747 1.00 8.00 C ATOM 0 H5' DC A 1 8.901 2.466 -10.815 1.00 8.00 H new ATOM 0 H5'' DC A 1 7.960 1.325 -9.876 1.00 8.00 H new ATOM 0 H4' DC A 1 9.964 0.912 -9.121 1.00 8.00 H new ATOM 0 H3' DC A 1 8.554 2.199 -7.127 1.00 8.00 H new ATOM 0 H2' DC A 1 10.004 4.107 -6.862 1.00 8.00 H new ATOM 0 H2'' DC A 1 10.995 2.942 -6.005 1.00 8.00 H new ATOM 0 H1' DC A 1 12.386 2.528 -7.891 1.00 8.00 H new ATOM 0 H41 DC A 1 12.828 9.036 -9.069 1.00 8.00 H new ATOM 0 H42 DC A 1 14.389 8.473 -8.463 1.00 8.00 H new ATOM 0 H5 DC A 1 10.910 7.570 -9.272 1.00 8.00 H new ATOM 0 H6 DC A 1 10.139 5.256 -8.983 1.00 8.00 H new ATOM 31 P DA A 2 9.172 -0.447 -6.779 1.00 8.00 P ATOM 32 OP1 DA A 2 10.039 -1.637 -6.794 1.00 8.00 O ATOM 33 OP2 DA A 2 8.068 -0.302 -7.766 1.00 8.00 O ATOM 34 O5' DA A 2 8.506 -0.324 -5.343 1.00 8.00 O ATOM 35 C5' DA A 2 9.238 0.132 -4.233 1.00 8.00 C ATOM 36 C4' DA A 2 8.529 -0.300 -2.953 1.00 8.00 C ATOM 37 O4' DA A 2 7.192 0.156 -3.009 1.00 8.00 O ATOM 38 C3' DA A 2 8.515 -1.824 -2.780 1.00 8.00 C ATOM 39 O3' DA A 2 8.765 -2.106 -1.420 1.00 8.00 O ATOM 40 C2' DA A 2 7.122 -2.234 -3.261 1.00 8.00 C ATOM 41 C1' DA A 2 6.321 -0.945 -3.144 1.00 8.00 C ATOM 42 N9 DA A 2 5.407 -0.760 -4.288 1.00 8.00 N ATOM 43 C8 DA A 2 5.592 -0.935 -5.641 1.00 8.00 C ATOM 44 N7 DA A 2 4.553 -0.642 -6.381 1.00 8.00 N ATOM 45 C5 DA A 2 3.608 -0.247 -5.423 1.00 8.00 C ATOM 46 C6 DA A 2 2.293 0.247 -5.465 1.00 8.00 C ATOM 47 N6 DA A 2 1.576 0.402 -6.566 1.00 8.00 N ATOM 48 N1 DA A 2 1.689 0.630 -4.343 1.00 8.00 N ATOM 49 C2 DA A 2 2.338 0.525 -3.195 1.00 8.00 C ATOM 50 N3 DA A 2 3.553 0.065 -3.001 1.00 8.00 N ATOM 51 C4 DA A 2 4.139 -0.288 -4.164 1.00 8.00 C ATOM 0 H5' DA A 2 9.329 1.218 -4.264 1.00 8.00 H new ATOM 0 H5'' DA A 2 10.249 -0.274 -4.258 1.00 8.00 H new ATOM 0 H4' DA A 2 9.069 0.128 -2.109 1.00 8.00 H new ATOM 0 H3' DA A 2 9.272 -2.373 -3.340 1.00 8.00 H new ATOM 0 H2' DA A 2 7.143 -2.604 -4.286 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.700 -3.028 -2.644 1.00 8.00 H new ATOM 0 H1' DA A 2 5.701 -1.015 -2.250 1.00 8.00 H new ATOM 0 H8 DA A 2 6.523 -1.287 -6.060 1.00 8.00 H new ATOM 0 H61 DA A 2 0.626 0.768 -6.508 1.00 8.00 H new ATOM 0 H62 DA A 2 1.973 0.155 -7.472 1.00 8.00 H new ATOM 0 H2 DA A 2 1.807 0.856 -2.315 1.00 8.00 H new ATOM 63 P DT A 3 8.618 -3.573 -0.826 1.00 8.00 P ATOM 64 OP1 DT A 3 9.369 -3.571 0.457 1.00 8.00 O ATOM 65 OP2 DT A 3 8.928 -4.592 -1.834 1.00 8.00 O ATOM 66 O5' DT A 3 7.090 -3.680 -0.418 1.00 8.00 O ATOM 67 C5' DT A 3 6.541 -2.816 0.559 1.00 8.00 C ATOM 68 C4' DT A 3 5.022 -2.972 0.612 1.00 8.00 C ATOM 69 O4' DT A 3 4.438 -2.349 -0.517 1.00 8.00 O ATOM 70 C3' DT A 3 4.553 -4.434 0.571 1.00 8.00 C ATOM 71 O3' DT A 3 4.168 -4.904 1.841 1.00 8.00 O ATOM 72 C2' DT A 3 3.345 -4.363 -0.357 1.00 8.00 C ATOM 73 C1' DT A 3 3.141 -2.878 -0.638 1.00 8.00 C ATOM 74 N1 DT A 3 2.647 -2.730 -2.016 1.00 8.00 N ATOM 75 C2 DT A 3 1.331 -2.362 -2.220 1.00 8.00 C ATOM 76 O2 DT A 3 0.576 -2.006 -1.328 1.00 8.00 O ATOM 77 N3 DT A 3 0.881 -2.427 -3.513 1.00 8.00 N ATOM 78 C4 DT A 3 1.576 -2.901 -4.595 1.00 8.00 C ATOM 79 O4 DT A 3 1.033 -2.907 -5.694 1.00 8.00 O ATOM 80 C5 DT A 3 2.920 -3.361 -4.288 1.00 8.00 C ATOM 81 C7 DT A 3 3.752 -4.160 -5.273 1.00 8.00 C ATOM 82 C6 DT A 3 3.399 -3.234 -3.036 1.00 8.00 C ATOM 0 H5' DT A 3 6.799 -1.783 0.327 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.971 -3.040 1.535 1.00 8.00 H new ATOM 0 H4' DT A 3 4.718 -2.521 1.557 1.00 8.00 H new ATOM 0 H3' DT A 3 5.335 -5.118 0.241 1.00 8.00 H new ATOM 0 H2' DT A 3 3.524 -4.917 -1.279 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.463 -4.800 0.111 1.00 8.00 H new ATOM 0 H1' DT A 3 2.427 -2.386 0.022 1.00 8.00 H new ATOM 0 H3 DT A 3 -0.065 -2.089 -3.687 1.00 8.00 H new ATOM 0 H71 DT A 3 4.809 -3.951 -5.110 1.00 8.00 H new ATOM 0 H72 DT A 3 3.566 -5.224 -5.128 1.00 8.00 H new ATOM 0 H73 DT A 3 3.480 -3.880 -6.291 1.00 8.00 H new ATOM 0 H6 DT A 3 4.414 -3.542 -2.832 1.00 8.00 H new ATOM 95 P DT A 4 5.167 -5.803 2.717 1.00 8.00 P ATOM 96 OP1 DT A 4 6.542 -5.702 2.175 1.00 8.00 O ATOM 97 OP2 DT A 4 4.517 -7.129 2.832 1.00 8.00 O ATOM 98 O5' DT A 4 5.161 -5.117 4.155 1.00 8.00 O ATOM 99 C5' DT A 4 5.987 -4.011 4.456 1.00 8.00 C ATOM 100 C4' DT A 4 5.543 -3.262 5.723 1.00 8.00 C ATOM 101 O4' DT A 4 4.229 -2.779 5.533 1.00 8.00 O ATOM 102 C3' DT A 4 5.487 -4.112 6.997 1.00 8.00 C ATOM 103 O3' DT A 4 5.642 -3.156 8.030 1.00 8.00 O ATOM 104 C2' DT A 4 4.069 -4.640 6.887 1.00 8.00 C ATOM 105 C1' DT A 4 3.377 -3.366 6.492 1.00 8.00 C ATOM 106 N1 DT A 4 2.085 -3.735 5.923 1.00 8.00 N ATOM 107 C2 DT A 4 1.009 -3.845 6.777 1.00 8.00 C ATOM 108 O2 DT A 4 1.107 -3.695 7.998 1.00 8.00 O ATOM 109 N3 DT A 4 -0.186 -4.183 6.196 1.00 8.00 N ATOM 110 C4 DT A 4 -0.378 -4.421 4.852 1.00 8.00 C ATOM 111 O4 DT A 4 -1.518 -4.634 4.459 1.00 8.00 O ATOM 112 C5 DT A 4 0.833 -4.408 4.039 1.00 8.00 C ATOM 113 C7 DT A 4 0.772 -4.642 2.536 1.00 8.00 C ATOM 114 C6 DT A 4 2.017 -4.078 4.609 1.00 8.00 C ATOM 0 H5' DT A 4 5.984 -3.321 3.612 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.014 -4.354 4.584 1.00 8.00 H new ATOM 0 H4' DT A 4 6.295 -2.486 5.864 1.00 8.00 H new ATOM 0 H3' DT A 4 6.206 -4.916 7.156 1.00 8.00 H new ATOM 0 H2' DT A 4 3.968 -5.424 6.137 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.697 -5.048 7.827 1.00 8.00 H new ATOM 0 H1' DT A 4 3.195 -2.671 7.311 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.998 -4.265 6.808 1.00 8.00 H new ATOM 0 H71 DT A 4 1.584 -4.101 2.050 1.00 8.00 H new ATOM 0 H72 DT A 4 0.871 -5.708 2.329 1.00 8.00 H new ATOM 0 H73 DT A 4 -0.183 -4.285 2.151 1.00 8.00 H new ATOM 0 H6 DT A 4 2.917 -4.087 4.013 1.00 8.00 H new ATOM 127 P DC A 5 5.239 -3.370 9.553 1.00 8.00 P ATOM 128 OP1 DC A 5 4.629 -4.691 9.784 1.00 8.00 O ATOM 129 OP2 DC A 5 4.355 -2.219 9.850 1.00 8.00 O ATOM 130 O5' DC A 5 6.607 -3.208 10.335 1.00 8.00 O ATOM 131 C5' DC A 5 7.728 -4.003 10.004 1.00 8.00 C ATOM 132 C4' DC A 5 8.927 -3.101 9.673 1.00 8.00 C ATOM 133 O4' DC A 5 10.112 -3.735 10.141 1.00 8.00 O ATOM 134 C3' DC A 5 9.141 -2.827 8.184 1.00 8.00 C ATOM 135 O3' DC A 5 9.650 -1.535 7.981 1.00 8.00 O ATOM 136 C2' DC A 5 10.255 -3.768 7.794 1.00 8.00 C ATOM 137 C1' DC A 5 11.058 -3.807 9.089 1.00 8.00 C ATOM 138 N1 DC A 5 11.777 -5.095 9.174 1.00 8.00 N ATOM 139 C2 DC A 5 13.162 -5.105 9.142 1.00 8.00 C ATOM 140 O2 DC A 5 13.799 -4.061 9.079 1.00 8.00 O ATOM 141 N3 DC A 5 13.814 -6.294 9.168 1.00 8.00 N ATOM 142 C4 DC A 5 13.125 -7.415 9.220 1.00 8.00 C ATOM 143 N4 DC A 5 13.823 -8.528 9.218 1.00 8.00 N ATOM 144 C5 DC A 5 11.704 -7.453 9.234 1.00 8.00 C ATOM 145 C6 DC A 5 11.069 -6.262 9.214 1.00 8.00 C ATOM 0 H5' DC A 5 7.494 -4.640 9.151 1.00 8.00 H new ATOM 0 H5'' DC A 5 7.976 -4.662 10.836 1.00 8.00 H new ATOM 0 H4' DC A 5 8.712 -2.147 10.153 1.00 8.00 H new ATOM 0 H3' DC A 5 8.209 -2.941 7.630 1.00 8.00 H new ATOM 0 H2' DC A 5 9.884 -4.752 7.507 1.00 8.00 H new ATOM 0 H2'' DC A 5 10.840 -3.391 6.955 1.00 8.00 H new ATOM 0 H1' DC A 5 11.782 -2.994 9.140 1.00 8.00 H new ATOM 0 H41 DC A 5 13.346 -9.429 9.257 1.00 8.00 H new ATOM 0 H42 DC A 5 14.842 -8.491 9.178 1.00 8.00 H new ATOM 0 H5 DC A 5 11.161 -8.386 9.259 1.00 8.00 H new ATOM 0 H6 DC A 5 9.990 -6.232 9.230 1.00 8.00 H new ATOM 157 P DA A 6 8.675 -0.305 7.720 1.00 8.00 P ATOM 158 OP1 DA A 6 9.456 0.943 7.662 1.00 8.00 O ATOM 159 OP2 DA A 6 7.493 -0.403 8.613 1.00 8.00 O ATOM 160 O5' DA A 6 8.149 -0.622 6.244 1.00 8.00 O ATOM 161 C5' DA A 6 9.031 -0.876 5.178 1.00 8.00 C ATOM 162 C4' DA A 6 8.534 -0.242 3.875 1.00 8.00 C ATOM 163 O4' DA A 6 7.202 -0.666 3.655 1.00 8.00 O ATOM 164 C3' DA A 6 8.562 1.295 3.904 1.00 8.00 C ATOM 165 O3' DA A 6 9.225 1.964 2.841 1.00 8.00 O ATOM 166 C2' DA A 6 7.107 1.719 4.030 1.00 8.00 C ATOM 167 C1' DA A 6 6.321 0.435 3.765 1.00 8.00 C ATOM 168 N9 DA A 6 5.313 0.228 4.825 1.00 8.00 N ATOM 169 C8 DA A 6 5.402 0.408 6.185 1.00 8.00 C ATOM 170 N7 DA A 6 4.289 0.224 6.846 1.00 8.00 N ATOM 171 C5 DA A 6 3.396 -0.108 5.822 1.00 8.00 C ATOM 172 C6 DA A 6 2.042 -0.467 5.779 1.00 8.00 C ATOM 173 N6 DA A 6 1.262 -0.492 6.848 1.00 8.00 N ATOM 174 N1 DA A 6 1.477 -0.826 4.628 1.00 8.00 N ATOM 175 C2 DA A 6 2.218 -0.810 3.528 1.00 8.00 C ATOM 176 N3 DA A 6 3.485 -0.472 3.412 1.00 8.00 N ATOM 177 C4 DA A 6 4.022 -0.146 4.607 1.00 8.00 C ATOM 0 H5' DA A 6 9.139 -1.952 5.042 1.00 8.00 H new ATOM 0 H5'' DA A 6 10.019 -0.485 5.421 1.00 8.00 H new ATOM 0 H4' DA A 6 9.203 -0.562 3.077 1.00 8.00 H new ATOM 0 H3' DA A 6 9.186 1.602 4.744 1.00 8.00 H new ATOM 0 H2' DA A 6 6.893 2.120 5.021 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.855 2.497 3.310 1.00 8.00 H new ATOM 0 H1' DA A 6 5.791 0.527 2.817 1.00 8.00 H new ATOM 0 H8 DA A 6 6.326 0.682 6.673 1.00 8.00 H new ATOM 0 H61 DA A 6 0.282 -0.761 6.758 1.00 8.00 H new ATOM 0 H62 DA A 6 1.641 -0.242 7.761 1.00 8.00 H new ATOM 0 H2 DA A 6 1.722 -1.111 2.617 1.00 8.00 H new ATOM 189 P DT A 7 8.901 1.765 1.281 1.00 8.00 P ATOM 190 OP1 DT A 7 9.116 0.343 0.932 1.00 8.00 O ATOM 191 OP2 DT A 7 9.667 2.791 0.539 1.00 8.00 O ATOM 192 O5' DT A 7 7.361 2.134 1.057 1.00 8.00 O ATOM 193 C5' DT A 7 6.698 1.763 -0.136 1.00 8.00 C ATOM 194 C4' DT A 7 5.236 2.230 -0.167 1.00 8.00 C ATOM 195 O4' DT A 7 4.538 1.697 0.945 1.00 8.00 O ATOM 196 C3' DT A 7 5.024 3.751 -0.092 1.00 8.00 C ATOM 197 O3' DT A 7 4.738 4.319 -1.349 1.00 8.00 O ATOM 198 C2' DT A 7 3.775 3.883 0.775 1.00 8.00 C ATOM 199 C1' DT A 7 3.357 2.448 1.084 1.00 8.00 C ATOM 200 N1 DT A 7 2.877 2.401 2.474 1.00 8.00 N ATOM 201 C2 DT A 7 1.544 2.132 2.703 1.00 8.00 C ATOM 202 O2 DT A 7 0.752 1.810 1.832 1.00 8.00 O ATOM 203 N3 DT A 7 1.127 2.249 4.000 1.00 8.00 N ATOM 204 C4 DT A 7 1.856 2.709 5.062 1.00 8.00 C ATOM 205 O4 DT A 7 1.324 2.767 6.166 1.00 8.00 O ATOM 206 C5 DT A 7 3.222 3.073 4.728 1.00 8.00 C ATOM 207 C7 DT A 7 4.117 3.836 5.687 1.00 8.00 C ATOM 208 C6 DT A 7 3.675 2.878 3.472 1.00 8.00 C ATOM 0 H5' DT A 7 6.732 0.679 -0.244 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.229 2.185 -0.989 1.00 8.00 H new ATOM 0 H4' DT A 7 4.872 1.880 -1.133 1.00 8.00 H new ATOM 0 H3' DT A 7 5.915 4.255 0.284 1.00 8.00 H new ATOM 0 H2' DT A 7 3.986 4.438 1.689 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.985 4.420 0.250 1.00 8.00 H new ATOM 0 H1' DT A 7 2.565 2.071 0.437 1.00 8.00 H new ATOM 0 H3 DT A 7 0.168 1.962 4.197 1.00 8.00 H new ATOM 0 H71 DT A 7 5.156 3.555 5.516 1.00 8.00 H new ATOM 0 H72 DT A 7 3.998 4.907 5.522 1.00 8.00 H new ATOM 0 H73 DT A 7 3.840 3.595 6.713 1.00 8.00 H new ATOM 0 H6 DT A 7 4.706 3.108 3.249 1.00 8.00 H new ATOM 221 P DT A 8 5.840 5.178 -2.139 1.00 8.00 P ATOM 222 OP1 DT A 8 7.175 4.913 -1.548 1.00 8.00 O ATOM 223 OP2 DT A 8 5.352 6.565 -2.245 1.00 8.00 O ATOM 224 O5' DT A 8 5.822 4.527 -3.598 1.00 8.00 O ATOM 225 C5' DT A 8 6.517 3.336 -3.893 1.00 8.00 C ATOM 226 C4' DT A 8 6.054 2.668 -5.202 1.00 8.00 C ATOM 227 O4' DT A 8 4.685 2.321 -5.097 1.00 8.00 O ATOM 228 C3' DT A 8 6.136 3.558 -6.446 1.00 8.00 C ATOM 229 O3' DT A 8 6.145 2.637 -7.523 1.00 8.00 O ATOM 230 C2' DT A 8 4.798 4.265 -6.353 1.00 8.00 C ATOM 231 C1' DT A 8 3.937 3.071 -6.035 1.00 8.00 C ATOM 232 N1 DT A 8 2.681 3.558 -5.472 1.00 8.00 N ATOM 233 C2 DT A 8 1.645 3.847 -6.335 1.00 8.00 C ATOM 234 O2 DT A 8 1.773 3.833 -7.561 1.00 8.00 O ATOM 235 N3 DT A 8 0.460 4.215 -5.754 1.00 8.00 N ATOM 236 C4 DT A 8 0.251 4.359 -4.400 1.00 8.00 C ATOM 237 O4 DT A 8 -0.879 4.636 -4.015 1.00 8.00 O ATOM 238 C5 DT A 8 1.434 4.178 -3.567 1.00 8.00 C ATOM 239 C7 DT A 8 1.350 4.306 -2.053 1.00 8.00 C ATOM 240 C6 DT A 8 2.605 3.804 -4.137 1.00 8.00 C ATOM 0 H5' DT A 8 6.387 2.634 -3.069 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.583 3.553 -3.961 1.00 8.00 H new ATOM 0 H4' DT A 8 6.729 1.821 -5.325 1.00 8.00 H new ATOM 0 H3' DT A 8 6.974 4.247 -6.548 1.00 8.00 H new ATOM 0 H2' DT A 8 4.774 5.024 -5.571 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.513 4.756 -7.283 1.00 8.00 H new ATOM 0 H1' DT A 8 3.689 2.455 -6.900 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.330 4.397 -6.373 1.00 8.00 H new ATOM 0 H71 DT A 8 2.098 3.661 -1.591 1.00 8.00 H new ATOM 0 H72 DT A 8 1.535 5.341 -1.765 1.00 8.00 H new ATOM 0 H73 DT A 8 0.357 4.008 -1.717 1.00 8.00 H new ATOM 0 H6 DT A 8 3.488 3.700 -3.524 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -5.856 -4.974 -8.386 1.00 8.00 P ATOM 255 OP1 DC B 1 -5.033 -6.203 -8.323 1.00 8.00 O ATOM 256 OP2 DC B 1 -5.374 -3.857 -9.227 1.00 8.00 O ATOM 257 O5' DC B 1 -7.386 -5.303 -8.728 1.00 8.00 O ATOM 258 C5' DC B 1 -8.203 -4.344 -9.380 1.00 8.00 C ATOM 259 C4' DC B 1 -9.481 -3.979 -8.615 1.00 8.00 C ATOM 260 O4' DC B 1 -10.484 -4.952 -8.850 1.00 8.00 O ATOM 261 C3' DC B 1 -9.380 -3.768 -7.107 1.00 8.00 C ATOM 262 O3' DC B 1 -9.912 -2.517 -6.762 1.00 8.00 O ATOM 263 C2' DC B 1 -10.280 -4.827 -6.507 1.00 8.00 C ATOM 264 C1' DC B 1 -11.219 -5.159 -7.661 1.00 8.00 C ATOM 265 N1 DC B 1 -11.578 -6.589 -7.599 1.00 8.00 N ATOM 266 C2 DC B 1 -12.878 -6.947 -7.278 1.00 8.00 C ATOM 267 O2 DC B 1 -13.725 -6.095 -7.042 1.00 8.00 O ATOM 268 N3 DC B 1 -13.204 -8.261 -7.218 1.00 8.00 N ATOM 269 C4 DC B 1 -12.282 -9.173 -7.457 1.00 8.00 C ATOM 270 N4 DC B 1 -12.670 -10.425 -7.376 1.00 8.00 N ATOM 271 C5 DC B 1 -10.932 -8.852 -7.763 1.00 8.00 C ATOM 272 C6 DC B 1 -10.622 -7.539 -7.826 1.00 8.00 C ATOM 0 H5' DC B 1 -8.479 -4.727 -10.363 1.00 8.00 H new ATOM 0 H5'' DC B 1 -7.620 -3.438 -9.543 1.00 8.00 H new ATOM 0 H4' DC B 1 -9.721 -2.996 -9.020 1.00 8.00 H new ATOM 0 H3' DC B 1 -8.347 -3.822 -6.763 1.00 8.00 H new ATOM 0 H2' DC B 1 -9.716 -5.700 -6.180 1.00 8.00 H new ATOM 0 H2'' DC B 1 -10.822 -4.453 -5.638 1.00 8.00 H new ATOM 0 H1' DC B 1 -12.121 -4.548 -7.618 1.00 8.00 H new ATOM 0 H41 DC B 1 -12.004 -11.178 -7.550 1.00 8.00 H new ATOM 0 H42 DC B 1 -13.638 -10.645 -7.139 1.00 8.00 H new ATOM 0 H5 DC B 1 -10.192 -9.619 -7.936 1.00 8.00 H new ATOM 0 H6 DC B 1 -9.611 -7.237 -8.057 1.00 8.00 H new ATOM 284 P DA B 2 -9.021 -1.204 -6.916 1.00 8.00 P ATOM 285 OP1 DA B 2 -9.891 -0.036 -7.139 1.00 8.00 O ATOM 286 OP2 DA B 2 -7.887 -1.487 -7.834 1.00 8.00 O ATOM 287 O5' DA B 2 -8.395 -1.094 -5.458 1.00 8.00 O ATOM 288 C5' DA B 2 -9.202 -1.169 -4.312 1.00 8.00 C ATOM 289 C4' DA B 2 -8.640 -0.270 -3.209 1.00 8.00 C ATOM 290 O4' DA B 2 -7.324 -0.711 -2.937 1.00 8.00 O ATOM 291 C3' DA B 2 -8.582 1.214 -3.614 1.00 8.00 C ATOM 292 O3' DA B 2 -9.138 2.167 -2.722 1.00 8.00 O ATOM 293 C2' DA B 2 -7.112 1.498 -3.904 1.00 8.00 C ATOM 294 C1' DA B 2 -6.391 0.253 -3.385 1.00 8.00 C ATOM 295 N9 DA B 2 -5.465 -0.279 -4.408 1.00 8.00 N ATOM 296 C8 DA B 2 -5.584 -0.374 -5.776 1.00 8.00 C ATOM 297 N7 DA B 2 -4.519 -0.811 -6.396 1.00 8.00 N ATOM 298 C5 DA B 2 -3.626 -1.015 -5.338 1.00 8.00 C ATOM 299 C6 DA B 2 -2.312 -1.501 -5.232 1.00 8.00 C ATOM 300 N6 DA B 2 -1.566 -1.848 -6.267 1.00 8.00 N ATOM 301 N1 DA B 2 -1.750 -1.660 -4.035 1.00 8.00 N ATOM 302 C2 DA B 2 -2.449 -1.341 -2.956 1.00 8.00 C ATOM 303 N3 DA B 2 -3.670 -0.856 -2.903 1.00 8.00 N ATOM 304 C4 DA B 2 -4.211 -0.734 -4.134 1.00 8.00 C ATOM 0 H5' DA B 2 -9.252 -2.200 -3.961 1.00 8.00 H new ATOM 0 H5'' DA B 2 -10.220 -0.865 -4.555 1.00 8.00 H new ATOM 0 H4' DA B 2 -9.298 -0.341 -2.343 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.238 1.344 -4.475 1.00 8.00 H new ATOM 0 H2' DA B 2 -6.936 1.647 -4.969 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.771 2.399 -3.395 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.782 0.527 -2.523 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.491 -0.107 -6.299 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.618 -2.194 -6.119 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.939 -1.770 -7.213 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.958 -1.498 -2.007 1.00 8.00 H new ATOM 316 P DT B 3 -8.767 2.293 -1.168 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.187 1.047 -0.490 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.320 3.580 -0.685 1.00 8.00 O ATOM 319 O5' DT B 3 -7.178 2.436 -1.077 1.00 8.00 O ATOM 320 C5' DT B 3 -6.510 2.240 0.150 1.00 8.00 C ATOM 321 C4' DT B 3 -5.020 2.593 0.070 1.00 8.00 C ATOM 322 O4' DT B 3 -4.371 1.820 -0.924 1.00 8.00 O ATOM 323 C3' DT B 3 -4.736 4.054 -0.304 1.00 8.00 C ATOM 324 O3' DT B 3 -4.394 4.819 0.831 1.00 8.00 O ATOM 325 C2' DT B 3 -3.505 3.953 -1.202 1.00 8.00 C ATOM 326 C1' DT B 3 -3.155 2.466 -1.211 1.00 8.00 C ATOM 327 N1 DT B 3 -2.671 2.095 -2.554 1.00 8.00 N ATOM 328 C2 DT B 3 -1.368 1.660 -2.691 1.00 8.00 C ATOM 329 O2 DT B 3 -0.616 1.450 -1.751 1.00 8.00 O ATOM 330 N3 DT B 3 -0.925 1.479 -3.974 1.00 8.00 N ATOM 331 C4 DT B 3 -1.610 1.758 -5.126 1.00 8.00 C ATOM 332 O4 DT B 3 -1.064 1.549 -6.205 1.00 8.00 O ATOM 333 C5 DT B 3 -2.945 2.286 -4.908 1.00 8.00 C ATOM 334 C7 DT B 3 -3.774 2.887 -6.027 1.00 8.00 C ATOM 335 C6 DT B 3 -3.422 2.407 -3.652 1.00 8.00 C ATOM 0 H5' DT B 3 -6.618 1.200 0.456 1.00 8.00 H new ATOM 0 H5'' DT B 3 -6.984 2.850 0.919 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.650 2.395 1.076 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.601 4.531 -0.765 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.717 4.316 -2.208 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.681 4.552 -0.814 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.375 2.199 -0.498 1.00 8.00 H new ATOM 0 H3 DT B 3 0.014 1.096 -4.083 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.833 2.728 -5.821 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.574 3.956 -6.094 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.512 2.409 -6.971 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.432 2.763 -3.509 1.00 8.00 H new ATOM 348 P DT B 4 -5.312 6.036 1.323 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.672 5.895 0.753 1.00 8.00 O ATOM 350 OP2 DT B 4 -4.539 7.277 1.076 1.00 8.00 O ATOM 351 O5' DT B 4 -5.412 5.811 2.901 1.00 8.00 O ATOM 352 C5' DT B 4 -6.312 4.872 3.456 1.00 8.00 C ATOM 353 C4' DT B 4 -5.960 4.453 4.893 1.00 8.00 C ATOM 354 O4' DT B 4 -4.664 3.877 4.960 1.00 8.00 O ATOM 355 C3' DT B 4 -5.932 5.623 5.862 1.00 8.00 C ATOM 356 O3' DT B 4 -6.150 4.998 7.100 1.00 8.00 O ATOM 357 C2' DT B 4 -4.484 6.061 5.741 1.00 8.00 C ATOM 358 C1' DT B 4 -3.804 4.714 5.718 1.00 8.00 C ATOM 359 N1 DT B 4 -2.485 4.853 5.087 1.00 8.00 N ATOM 360 C2 DT B 4 -1.375 5.037 5.891 1.00 8.00 C ATOM 361 O2 DT B 4 -1.422 5.063 7.113 1.00 8.00 O ATOM 362 N3 DT B 4 -0.178 5.195 5.245 1.00 8.00 N ATOM 363 C4 DT B 4 0.013 5.141 3.885 1.00 8.00 C ATOM 364 O4 DT B 4 1.150 5.278 3.451 1.00 8.00 O ATOM 365 C5 DT B 4 -1.196 4.929 3.100 1.00 8.00 C ATOM 366 C7 DT B 4 -1.116 4.728 1.593 1.00 8.00 C ATOM 367 C6 DT B 4 -2.392 4.814 3.730 1.00 8.00 C ATOM 0 H5' DT B 4 -6.333 3.985 2.823 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.317 5.295 3.446 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.741 3.745 5.171 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.628 6.449 5.715 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.297 6.638 4.835 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.163 6.676 6.582 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.638 4.298 6.712 1.00 8.00 H new ATOM 0 H3 DT B 4 0.644 5.368 5.824 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.939 4.092 1.267 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.184 5.694 1.093 1.00 8.00 H new ATOM 0 H73 DT B 4 -0.168 4.254 1.339 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.289 4.689 3.142 1.00 8.00 H new ATOM 380 P DC B 5 -6.465 5.797 8.426 1.00 8.00 P ATOM 381 OP1 DC B 5 -6.302 7.243 8.192 1.00 8.00 O ATOM 382 OP2 DC B 5 -5.654 5.045 9.415 1.00 8.00 O ATOM 383 O5' DC B 5 -7.999 5.386 8.584 1.00 8.00 O ATOM 384 C5' DC B 5 -8.313 4.127 9.146 1.00 8.00 C ATOM 385 C4' DC B 5 -9.702 3.627 8.764 1.00 8.00 C ATOM 386 O4' DC B 5 -10.725 4.432 9.319 1.00 8.00 O ATOM 387 C3' DC B 5 -9.934 3.529 7.257 1.00 8.00 C ATOM 388 O3' DC B 5 -10.448 2.258 6.910 1.00 8.00 O ATOM 389 C2' DC B 5 -10.984 4.582 6.989 1.00 8.00 C ATOM 390 C1' DC B 5 -11.707 4.664 8.330 1.00 8.00 C ATOM 391 N1 DC B 5 -12.218 6.030 8.552 1.00 8.00 N ATOM 392 C2 DC B 5 -13.585 6.231 8.669 1.00 8.00 C ATOM 393 O2 DC B 5 -14.373 5.306 8.511 1.00 8.00 O ATOM 394 N3 DC B 5 -14.046 7.473 8.953 1.00 8.00 N ATOM 395 C4 DC B 5 -13.194 8.464 9.112 1.00 8.00 C ATOM 396 N4 DC B 5 -13.715 9.636 9.397 1.00 8.00 N ATOM 397 C5 DC B 5 -11.786 8.308 8.987 1.00 8.00 C ATOM 398 C6 DC B 5 -11.339 7.065 8.710 1.00 8.00 C ATOM 0 H5' DC B 5 -8.244 4.194 10.232 1.00 8.00 H new ATOM 0 H5'' DC B 5 -7.570 3.397 8.824 1.00 8.00 H new ATOM 0 H4' DC B 5 -9.746 2.620 9.179 1.00 8.00 H new ATOM 0 H3' DC B 5 -9.016 3.668 6.686 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.540 5.537 6.706 1.00 8.00 H new ATOM 0 H2'' DC B 5 -11.656 4.291 6.181 1.00 8.00 H new ATOM 0 H1' DC B 5 -12.533 3.953 8.359 1.00 8.00 H new ATOM 0 H41 DC B 5 -13.108 10.445 9.532 1.00 8.00 H new ATOM 0 H42 DC B 5 -14.726 9.737 9.483 1.00 8.00 H new ATOM 0 H5 DC B 5 -11.109 9.141 9.107 1.00 8.00 H new ATOM 0 H6 DC B 5 -10.278 6.887 8.612 1.00 8.00 H new ATOM 410 P DA B 6 -9.447 1.023 6.744 1.00 8.00 P ATOM 411 OP1 DA B 6 -10.157 -0.195 6.266 1.00 8.00 O ATOM 412 OP2 DA B 6 -8.546 0.939 7.911 1.00 8.00 O ATOM 413 O5' DA B 6 -8.577 1.578 5.531 1.00 8.00 O ATOM 414 C5' DA B 6 -9.170 2.009 4.323 1.00 8.00 C ATOM 415 C4' DA B 6 -8.442 1.316 3.175 1.00 8.00 C ATOM 416 O4' DA B 6 -7.070 1.643 3.264 1.00 8.00 O ATOM 417 C3' DA B 6 -8.579 -0.198 3.322 1.00 8.00 C ATOM 418 O3' DA B 6 -8.908 -0.813 2.102 1.00 8.00 O ATOM 419 C2' DA B 6 -7.253 -0.655 3.930 1.00 8.00 C ATOM 420 C1' DA B 6 -6.320 0.499 3.603 1.00 8.00 C ATOM 421 N9 DA B 6 -5.386 0.804 4.705 1.00 8.00 N ATOM 422 C8 DA B 6 -5.571 0.922 6.063 1.00 8.00 C ATOM 423 N7 DA B 6 -4.503 1.280 6.737 1.00 8.00 N ATOM 424 C5 DA B 6 -3.533 1.366 5.728 1.00 8.00 C ATOM 425 C6 DA B 6 -2.163 1.676 5.678 1.00 8.00 C ATOM 426 N6 DA B 6 -1.403 1.936 6.731 1.00 8.00 N ATOM 427 N1 DA B 6 -1.543 1.742 4.503 1.00 8.00 N ATOM 428 C2 DA B 6 -2.222 1.484 3.398 1.00 8.00 C ATOM 429 N3 DA B 6 -3.485 1.148 3.296 1.00 8.00 N ATOM 430 C4 DA B 6 -4.083 1.118 4.501 1.00 8.00 C ATOM 0 H5' DA B 6 -9.095 3.092 4.225 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.231 1.761 4.308 1.00 8.00 H new ATOM 0 H4' DA B 6 -8.864 1.636 2.222 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.406 -0.489 3.970 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.335 -0.817 5.005 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.908 -1.591 3.492 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.713 0.193 2.751 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.522 0.734 6.538 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.414 2.152 6.605 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.807 1.920 7.668 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.672 1.559 2.472 1.00 8.00 H new ATOM 442 P DT B 7 -9.044 -2.389 2.032 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.907 -2.678 0.856 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.421 -2.877 3.380 1.00 8.00 O ATOM 445 O5' DT B 7 -7.578 -2.839 1.620 1.00 8.00 O ATOM 446 C5' DT B 7 -6.977 -2.299 0.447 1.00 8.00 C ATOM 447 C4' DT B 7 -5.476 -2.584 0.386 1.00 8.00 C ATOM 448 O4' DT B 7 -4.803 -1.765 1.327 1.00 8.00 O ATOM 449 C3' DT B 7 -5.104 -4.031 0.731 1.00 8.00 C ATOM 450 O3' DT B 7 -4.796 -4.782 -0.421 1.00 8.00 O ATOM 451 C2' DT B 7 -3.870 -3.846 1.608 1.00 8.00 C ATOM 452 C1' DT B 7 -3.545 -2.355 1.548 1.00 8.00 C ATOM 453 N1 DT B 7 -3.016 -1.939 2.857 1.00 8.00 N ATOM 454 C2 DT B 7 -1.670 -1.659 2.988 1.00 8.00 C ATOM 455 O2 DT B 7 -0.891 -1.591 2.050 1.00 8.00 O ATOM 456 N3 DT B 7 -1.217 -1.471 4.269 1.00 8.00 N ATOM 457 C4 DT B 7 -1.945 -1.625 5.422 1.00 8.00 C ATOM 458 O4 DT B 7 -1.404 -1.428 6.503 1.00 8.00 O ATOM 459 C5 DT B 7 -3.325 -2.018 5.210 1.00 8.00 C ATOM 460 C7 DT B 7 -4.219 -2.500 6.336 1.00 8.00 C ATOM 461 C6 DT B 7 -3.800 -2.128 3.954 1.00 8.00 C ATOM 0 H5' DT B 7 -7.142 -1.222 0.418 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.461 -2.719 -0.434 1.00 8.00 H new ATOM 0 H4' DT B 7 -5.183 -2.385 -0.645 1.00 8.00 H new ATOM 0 H3' DT B 7 -5.913 -4.580 1.213 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.065 -4.164 2.632 1.00 8.00 H new ATOM 0 H2'' DT B 7 -3.036 -4.444 1.242 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.810 -2.085 0.789 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.243 -1.189 4.375 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.254 -2.238 6.117 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.131 -3.582 6.432 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.915 -2.027 7.270 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.842 -2.375 3.812 1.00 8.00 H new ATOM 474 P DT B 8 -5.925 -5.687 -1.129 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.265 -5.222 -0.687 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.555 -7.103 -0.946 1.00 8.00 O ATOM 477 O5' DT B 8 -5.792 -5.334 -2.684 1.00 8.00 O ATOM 478 C5' DT B 8 -6.491 -4.258 -3.272 1.00 8.00 C ATOM 479 C4' DT B 8 -5.956 -3.873 -4.665 1.00 8.00 C ATOM 480 O4' DT B 8 -4.588 -3.517 -4.564 1.00 8.00 O ATOM 481 C3' DT B 8 -5.989 -4.990 -5.712 1.00 8.00 C ATOM 482 O3' DT B 8 -5.937 -4.294 -6.947 1.00 8.00 O ATOM 483 C2' DT B 8 -4.665 -5.667 -5.415 1.00 8.00 C ATOM 484 C1' DT B 8 -3.808 -4.434 -5.309 1.00 8.00 C ATOM 485 N1 DT B 8 -2.575 -4.799 -4.616 1.00 8.00 N ATOM 486 C2 DT B 8 -1.505 -5.236 -5.366 1.00 8.00 C ATOM 487 O2 DT B 8 -1.580 -5.453 -6.578 1.00 8.00 O ATOM 488 N3 DT B 8 -0.345 -5.482 -4.679 1.00 8.00 N ATOM 489 C4 DT B 8 -0.189 -5.359 -3.317 1.00 8.00 C ATOM 490 O4 DT B 8 0.925 -5.542 -2.842 1.00 8.00 O ATOM 491 C5 DT B 8 -1.405 -5.035 -2.581 1.00 8.00 C ATOM 492 C7 DT B 8 -1.383 -4.868 -1.069 1.00 8.00 C ATOM 493 C6 DT B 8 -2.554 -4.785 -3.258 1.00 8.00 C ATOM 0 H5' DT B 8 -6.429 -3.391 -2.614 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.546 -4.521 -3.355 1.00 8.00 H new ATOM 0 H4' DT B 8 -6.616 -3.068 -4.987 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.827 -5.686 -5.720 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.684 -6.250 -4.494 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.344 -6.339 -6.211 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.523 -4.000 -6.267 1.00 8.00 H new ATOM 0 H3 DT B 8 0.467 -5.780 -5.220 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.152 -4.155 -0.770 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.576 -5.830 -0.594 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.406 -4.499 -0.758 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.461 -4.573 -2.712 1.00 8.00 H new TER 506 DT B 8