USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 264 hydrogens (80 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 : X 1 DG O5' : rot 180:sc= 0 USER MOD Single : X 3 DT C7 :methyl -30:sc= -0.0848 (180deg=-0.304) USER MOD Single : X 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : X 8 DC O3' : rot 180:sc= 0 USER MOD Single : Y 9 DG O5' : rot 180:sc= 0 USER MOD Single : Y 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : Y 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : Y 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG X 1 37.567 28.180 15.189 1.00 0.00 O ATOM 2 C5' DG X 1 37.109 27.928 16.562 1.00 0.00 C ATOM 3 C4' DG X 1 35.627 28.377 16.701 1.00 0.00 C ATOM 4 O4' DG X 1 35.580 29.811 16.500 1.00 0.00 O ATOM 5 C3' DG X 1 34.570 27.709 15.713 1.00 0.00 C ATOM 6 O3' DG X 1 33.376 27.139 16.318 1.00 0.00 O ATOM 7 C2' DG X 1 34.165 28.854 14.868 1.00 0.00 C ATOM 8 C1' DG X 1 34.369 30.053 15.780 1.00 0.00 C ATOM 9 N9 DG X 1 34.466 31.416 15.165 1.00 0.00 N ATOM 10 C8 DG X 1 34.162 31.777 13.866 1.00 0.00 C ATOM 11 N7 DG X 1 34.270 33.109 13.686 1.00 0.00 N ATOM 12 C5 DG X 1 34.638 33.578 14.935 1.00 0.00 C ATOM 13 C6 DG X 1 34.836 34.946 15.485 1.00 0.00 C ATOM 14 O6 DG X 1 34.778 36.056 14.966 1.00 0.00 O ATOM 15 N1 DG X 1 35.184 34.964 16.797 1.00 0.00 N ATOM 16 C2 DG X 1 35.130 33.836 17.614 1.00 0.00 C ATOM 17 N2 DG X 1 35.625 33.981 18.768 1.00 0.00 N ATOM 18 N3 DG X 1 34.987 32.626 17.177 1.00 0.00 N ATOM 19 C4 DG X 1 34.629 32.553 15.851 1.00 0.00 C ATOM 0 H5' DG X 1 37.733 28.471 17.271 1.00 0.00 H new ATOM 0 H5'' DG X 1 37.204 26.869 16.800 1.00 0.00 H new ATOM 0 H4' DG X 1 35.325 28.047 17.695 1.00 0.00 H new ATOM 0 H3' DG X 1 35.030 26.854 15.217 1.00 0.00 H new ATOM 0 H2' DG X 1 34.776 28.925 13.968 1.00 0.00 H new ATOM 0 H2'' DG X 1 33.128 28.767 14.544 1.00 0.00 H new ATOM 0 HO5' DG X 1 38.502 27.899 15.099 1.00 0.00 H new ATOM 0 H1' DG X 1 33.457 30.110 16.374 1.00 0.00 H new ATOM 0 H8 DG X 1 33.874 31.080 13.093 1.00 0.00 H new ATOM 0 H1 DG X 1 35.500 35.844 17.204 1.00 0.00 H new ATOM 0 H21 DG X 1 35.623 33.201 19.425 1.00 0.00 H new ATOM 0 H22 DG X 1 36.026 34.878 19.042 1.00 0.00 H new ATOM 32 P DC X 2 33.566 25.745 17.170 1.00 0.00 P ATOM 33 OP1 DC X 2 34.756 25.049 16.688 1.00 0.00 O ATOM 34 OP2 DC X 2 32.168 25.163 17.185 1.00 0.00 O1- ATOM 35 O5' DC X 2 33.786 26.343 18.715 1.00 0.00 O ATOM 36 C5' DC X 2 35.038 26.223 19.387 1.00 0.00 C ATOM 37 C4' DC X 2 35.190 27.098 20.638 1.00 0.00 C ATOM 38 O4' DC X 2 35.111 28.473 20.165 1.00 0.00 O ATOM 39 C3' DC X 2 34.051 26.919 21.667 1.00 0.00 C ATOM 40 O3' DC X 2 34.455 26.960 23.001 1.00 0.00 O ATOM 41 C2' DC X 2 33.113 28.126 21.444 1.00 0.00 C ATOM 42 C1' DC X 2 34.108 29.182 20.858 1.00 0.00 C ATOM 43 N1 DC X 2 33.364 30.188 19.975 1.00 0.00 N ATOM 44 C2 DC X 2 33.498 31.595 20.156 1.00 0.00 C ATOM 45 O2 DC X 2 34.373 32.032 20.941 1.00 0.00 O ATOM 46 N3 DC X 2 32.720 32.461 19.566 1.00 0.00 N ATOM 47 C4 DC X 2 31.846 32.085 18.687 1.00 0.00 C ATOM 48 N4 DC X 2 31.203 32.930 17.918 1.00 0.00 N ATOM 49 C5 DC X 2 31.691 30.696 18.349 1.00 0.00 C ATOM 50 C6 DC X 2 32.504 29.792 18.966 1.00 0.00 C ATOM 0 H5' DC X 2 35.834 26.475 18.687 1.00 0.00 H new ATOM 0 H5'' DC X 2 35.182 25.181 19.672 1.00 0.00 H new ATOM 0 H4' DC X 2 36.122 26.828 21.135 1.00 0.00 H new ATOM 0 H3' DC X 2 33.606 25.936 21.512 1.00 0.00 H new ATOM 0 H2' DC X 2 32.303 27.895 20.752 1.00 0.00 H new ATOM 0 H2'' DC X 2 32.652 28.466 22.372 1.00 0.00 H new ATOM 0 H1' DC X 2 34.574 29.774 21.646 1.00 0.00 H new ATOM 0 H41 DC X 2 30.523 32.587 17.240 1.00 0.00 H new ATOM 0 H42 DC X 2 31.383 33.931 17.998 1.00 0.00 H new ATOM 0 H5 DC X 2 30.953 30.378 17.628 1.00 0.00 H new ATOM 0 H6 DC X 2 32.476 28.755 18.664 1.00 0.00 H new ATOM 62 P DT X 3 34.932 25.536 23.695 1.00 0.00 P ATOM 63 OP1 DT X 3 36.264 25.202 23.146 1.00 0.00 O ATOM 64 OP2 DT X 3 33.847 24.600 23.614 1.00 0.00 O1- ATOM 65 O5' DT X 3 35.100 26.113 25.191 1.00 0.00 O ATOM 66 C5' DT X 3 36.386 26.271 25.777 1.00 0.00 C ATOM 67 C4' DT X 3 36.386 26.918 27.112 1.00 0.00 C ATOM 68 O4' DT X 3 35.993 28.258 26.964 1.00 0.00 O ATOM 69 C3' DT X 3 35.444 26.218 28.069 1.00 0.00 C ATOM 70 O3' DT X 3 36.179 25.734 29.287 1.00 0.00 O ATOM 71 C2' DT X 3 34.448 27.303 28.411 1.00 0.00 C ATOM 72 C1' DT X 3 35.162 28.624 28.065 1.00 0.00 C ATOM 73 N1 DT X 3 34.439 29.858 27.635 1.00 0.00 N ATOM 74 C2 DT X 3 34.928 31.091 28.179 1.00 0.00 C ATOM 75 O2 DT X 3 35.889 31.180 28.904 1.00 0.00 O ATOM 76 N3 DT X 3 34.240 32.253 27.856 1.00 0.00 N ATOM 77 C4 DT X 3 33.250 32.277 26.917 1.00 0.00 C ATOM 78 O4 DT X 3 32.682 33.379 26.710 1.00 0.00 O ATOM 79 C5 DT X 3 32.963 31.003 26.228 1.00 0.00 C ATOM 80 C7 DT X 3 31.975 31.008 25.051 1.00 0.00 C ATOM 81 C6 DT X 3 33.587 29.853 26.609 1.00 0.00 C ATOM 0 H5' DT X 3 37.007 26.861 25.103 1.00 0.00 H new ATOM 0 H5'' DT X 3 36.853 25.290 25.864 1.00 0.00 H new ATOM 0 H4' DT X 3 37.391 26.856 27.528 1.00 0.00 H new ATOM 0 H3' DT X 3 34.975 25.328 27.649 1.00 0.00 H new ATOM 0 H2' DT X 3 33.528 27.190 27.837 1.00 0.00 H new ATOM 0 H2'' DT X 3 34.172 27.268 29.465 1.00 0.00 H new ATOM 0 H1' DT X 3 35.579 28.952 29.017 1.00 0.00 H new ATOM 0 H3 DT X 3 34.483 33.119 28.337 1.00 0.00 H new ATOM 0 H71 DT X 3 31.238 31.797 25.198 1.00 0.00 H new ATOM 0 H72 DT X 3 32.517 31.186 24.122 1.00 0.00 H new ATOM 0 H73 DT X 3 31.469 30.044 24.997 1.00 0.00 H new ATOM 0 H6 DT X 3 33.391 28.933 26.078 1.00 0.00 H new ATOM 94 P DA X 4 35.709 24.399 30.016 1.00 0.00 P ATOM 95 OP1 DA X 4 36.595 23.997 31.098 1.00 0.00 O ATOM 96 OP2 DA X 4 35.485 23.435 28.966 1.00 0.00 O1- ATOM 97 O5' DA X 4 34.266 24.825 30.615 1.00 0.00 O ATOM 98 C5' DA X 4 34.160 25.376 31.887 1.00 0.00 C ATOM 99 C4' DA X 4 32.739 25.839 32.207 1.00 0.00 C ATOM 100 O4' DA X 4 32.436 27.084 31.595 1.00 0.00 O ATOM 101 C3' DA X 4 31.558 24.926 31.749 1.00 0.00 C ATOM 102 O3' DA X 4 30.501 24.728 32.710 1.00 0.00 O ATOM 103 C2' DA X 4 30.921 25.702 30.614 1.00 0.00 C ATOM 104 C1' DA X 4 31.064 27.076 31.121 1.00 0.00 C ATOM 105 N9 DA X 4 30.746 28.041 29.982 1.00 0.00 N ATOM 106 C8 DA X 4 29.806 27.943 28.973 1.00 0.00 C ATOM 107 N7 DA X 4 29.505 29.007 28.256 1.00 0.00 N ATOM 108 C5 DA X 4 30.325 29.961 28.877 1.00 0.00 C ATOM 109 C6 DA X 4 30.516 31.396 28.757 1.00 0.00 C ATOM 110 N6 DA X 4 29.799 32.121 28.010 1.00 0.00 N ATOM 111 N1 DA X 4 31.482 31.987 29.458 1.00 0.00 N ATOM 112 C2 DA X 4 32.247 31.231 30.249 1.00 0.00 C ATOM 113 N3 DA X 4 32.145 29.925 30.544 1.00 0.00 N ATOM 114 C4 DA X 4 31.160 29.358 29.825 1.00 0.00 C ATOM 0 H5' DA X 4 34.842 26.222 31.971 1.00 0.00 H new ATOM 0 H5'' DA X 4 34.474 24.639 32.626 1.00 0.00 H new ATOM 0 H4' DA X 4 32.786 25.852 33.296 1.00 0.00 H new ATOM 0 H3' DA X 4 31.966 23.939 31.532 1.00 0.00 H new ATOM 0 H2' DA X 4 31.439 25.553 29.667 1.00 0.00 H new ATOM 0 H2'' DA X 4 29.879 25.424 30.455 1.00 0.00 H new ATOM 0 H1' DA X 4 30.393 27.386 31.922 1.00 0.00 H new ATOM 0 H8 DA X 4 29.321 26.999 28.773 1.00 0.00 H new ATOM 0 H61 DA X 4 29.970 33.125 27.958 1.00 0.00 H new ATOM 0 H62 DA X 4 29.049 31.702 27.460 1.00 0.00 H new ATOM 0 H2 DA X 4 33.070 31.746 30.722 1.00 0.00 H new ATOM 126 P DT X 5 30.461 23.549 33.730 1.00 0.00 P ATOM 127 OP1 DT X 5 29.727 23.981 34.948 1.00 0.00 O ATOM 128 OP2 DT X 5 31.875 23.047 33.895 1.00 0.00 O1- ATOM 129 O5' DT X 5 29.578 22.512 32.905 1.00 0.00 O ATOM 130 C5' DT X 5 28.148 22.675 32.791 1.00 0.00 C ATOM 131 C4' DT X 5 27.729 23.541 31.672 1.00 0.00 C ATOM 132 O4' DT X 5 28.495 23.010 30.587 1.00 0.00 O ATOM 133 C3' DT X 5 26.325 23.612 31.107 1.00 0.00 C ATOM 134 O3' DT X 5 25.687 24.836 31.500 1.00 0.00 O ATOM 135 C2' DT X 5 26.545 23.635 29.630 1.00 0.00 C ATOM 136 C1' DT X 5 27.999 23.593 29.398 1.00 0.00 C ATOM 137 N1 DT X 5 28.662 22.847 28.291 1.00 0.00 N ATOM 138 C2 DT X 5 29.669 23.472 27.571 1.00 0.00 C ATOM 139 O2 DT X 5 30.130 24.573 27.785 1.00 0.00 O ATOM 140 N3 DT X 5 30.174 22.714 26.547 1.00 0.00 N ATOM 141 C4 DT X 5 29.858 21.433 26.295 1.00 0.00 C ATOM 142 O4 DT X 5 30.579 20.831 25.502 1.00 0.00 O ATOM 143 C5 DT X 5 28.750 20.878 27.010 1.00 0.00 C ATOM 144 C7 DT X 5 28.292 19.479 26.781 1.00 0.00 C ATOM 145 C6 DT X 5 28.190 21.594 27.968 1.00 0.00 C ATOM 0 H5' DT X 5 27.765 23.092 33.722 1.00 0.00 H new ATOM 0 H5'' DT X 5 27.690 21.694 32.669 1.00 0.00 H new ATOM 0 H4' DT X 5 27.847 24.544 32.083 1.00 0.00 H new ATOM 0 H3' DT X 5 25.696 22.791 31.449 1.00 0.00 H new ATOM 0 H2' DT X 5 26.056 22.783 29.156 1.00 0.00 H new ATOM 0 H2'' DT X 5 26.113 24.535 29.192 1.00 0.00 H new ATOM 0 H1' DT X 5 28.221 24.618 29.102 1.00 0.00 H new ATOM 0 H3 DT X 5 30.847 23.160 25.924 1.00 0.00 H new ATOM 0 H71 DT X 5 27.859 19.083 27.699 1.00 0.00 H new ATOM 0 H72 DT X 5 27.541 19.467 25.991 1.00 0.00 H new ATOM 0 H73 DT X 5 29.141 18.862 26.485 1.00 0.00 H new ATOM 0 H6 DT X 5 27.347 21.190 28.508 1.00 0.00 H new ATOM 158 P DA X 6 24.977 24.950 32.952 1.00 0.00 P ATOM 159 OP1 DA X 6 25.960 25.627 33.837 1.00 0.00 O ATOM 160 OP2 DA X 6 24.582 23.579 33.270 1.00 0.00 O1- ATOM 161 O5' DA X 6 23.665 25.813 32.862 1.00 0.00 O ATOM 162 C5' DA X 6 23.675 27.194 33.043 1.00 0.00 C ATOM 163 C4' DA X 6 22.632 27.897 32.104 1.00 0.00 C ATOM 164 O4' DA X 6 22.713 27.727 30.673 1.00 0.00 O ATOM 165 C3' DA X 6 21.186 27.426 32.460 1.00 0.00 C ATOM 166 O3' DA X 6 20.389 28.556 32.617 1.00 0.00 O ATOM 167 C2' DA X 6 20.711 26.677 31.257 1.00 0.00 C ATOM 168 C1' DA X 6 21.567 27.078 30.091 1.00 0.00 C ATOM 169 N9 DA X 6 21.781 26.040 29.042 1.00 0.00 N ATOM 170 C8 DA X 6 22.861 25.213 28.960 1.00 0.00 C ATOM 171 N7 DA X 6 22.804 24.384 28.026 1.00 0.00 N ATOM 172 C5 DA X 6 21.629 24.760 27.342 1.00 0.00 C ATOM 173 C6 DA X 6 20.931 24.297 26.195 1.00 0.00 C ATOM 174 N6 DA X 6 21.368 23.271 25.449 1.00 0.00 N ATOM 175 N1 DA X 6 19.768 24.775 25.817 1.00 0.00 N ATOM 176 C2 DA X 6 19.321 25.789 26.552 1.00 0.00 C ATOM 177 N3 DA X 6 19.803 26.375 27.622 1.00 0.00 N ATOM 178 C4 DA X 6 20.970 25.763 27.942 1.00 0.00 C ATOM 0 H5' DA X 6 24.672 27.583 32.839 1.00 0.00 H new ATOM 0 H5'' DA X 6 23.448 27.429 34.083 1.00 0.00 H new ATOM 0 H4' DA X 6 22.879 28.940 32.303 1.00 0.00 H new ATOM 0 H3' DA X 6 21.151 26.822 33.367 1.00 0.00 H new ATOM 0 H2' DA X 6 20.778 25.602 31.427 1.00 0.00 H new ATOM 0 H2'' DA X 6 19.664 26.904 31.056 1.00 0.00 H new ATOM 0 H1' DA X 6 21.059 27.784 29.434 1.00 0.00 H new ATOM 0 H8 DA X 6 23.695 25.269 29.644 1.00 0.00 H new ATOM 0 H61 DA X 6 20.835 22.971 24.633 1.00 0.00 H new ATOM 0 H62 DA X 6 22.233 22.791 25.698 1.00 0.00 H new ATOM 0 H2 DA X 6 18.388 26.208 26.203 1.00 0.00 H new ATOM 190 P DG X 7 19.053 28.705 33.553 1.00 0.00 P ATOM 191 OP1 DG X 7 18.682 30.133 33.697 1.00 0.00 O ATOM 192 OP2 DG X 7 19.563 28.012 34.772 1.00 0.00 O1- ATOM 193 O5' DG X 7 17.828 27.832 32.870 1.00 0.00 O ATOM 194 C5' DG X 7 17.038 28.357 31.833 1.00 0.00 C ATOM 195 C4' DG X 7 16.192 27.254 31.173 1.00 0.00 C ATOM 196 O4' DG X 7 16.967 26.438 30.266 1.00 0.00 O ATOM 197 C3' DG X 7 15.449 26.265 32.113 1.00 0.00 C ATOM 198 O3' DG X 7 14.035 26.257 31.817 1.00 0.00 O ATOM 199 C2' DG X 7 16.087 24.880 31.760 1.00 0.00 C ATOM 200 C1' DG X 7 16.411 25.103 30.262 1.00 0.00 C ATOM 201 N9 DG X 7 17.429 24.119 29.717 1.00 0.00 N ATOM 202 C8 DG X 7 18.517 23.523 30.250 1.00 0.00 C ATOM 203 N7 DG X 7 19.134 22.664 29.422 1.00 0.00 N ATOM 204 C5 DG X 7 18.305 22.681 28.295 1.00 0.00 C ATOM 205 C6 DG X 7 18.530 22.038 27.004 1.00 0.00 C ATOM 206 O6 DG X 7 19.399 21.257 26.707 1.00 0.00 O ATOM 207 N1 DG X 7 17.535 22.260 26.098 1.00 0.00 N ATOM 208 C2 DG X 7 16.462 23.119 26.386 1.00 0.00 C ATOM 209 N2 DG X 7 15.563 23.223 25.459 1.00 0.00 N ATOM 210 N3 DG X 7 16.283 23.750 27.523 1.00 0.00 N ATOM 211 C4 DG X 7 17.288 23.551 28.468 1.00 0.00 C ATOM 0 H5' DG X 7 17.678 28.826 31.085 1.00 0.00 H new ATOM 0 H5'' DG X 7 16.384 29.135 32.227 1.00 0.00 H new ATOM 0 H4' DG X 7 15.437 27.856 30.668 1.00 0.00 H new ATOM 0 H3' DG X 7 15.544 26.524 33.168 1.00 0.00 H new ATOM 0 H2' DG X 7 16.978 24.669 32.352 1.00 0.00 H new ATOM 0 H2'' DG X 7 15.397 24.051 31.918 1.00 0.00 H new ATOM 0 H1' DG X 7 15.534 24.968 29.629 1.00 0.00 H new ATOM 0 H8 DG X 7 18.861 23.720 31.255 1.00 0.00 H new ATOM 0 H1 DG X 7 17.571 21.792 25.192 1.00 0.00 H new ATOM 0 H21 DG X 7 14.755 23.829 25.598 1.00 0.00 H new ATOM 0 H22 DG X 7 15.664 22.699 24.590 1.00 0.00 H new ATOM 223 P DC X 8 12.880 25.976 33.060 1.00 0.00 P ATOM 224 OP1 DC X 8 11.572 26.426 32.529 1.00 0.00 O ATOM 225 OP2 DC X 8 13.420 26.519 34.307 1.00 0.00 O ATOM 226 O5' DC X 8 13.147 24.441 33.005 1.00 0.00 O ATOM 227 C5' DC X 8 12.203 23.490 32.431 1.00 0.00 C ATOM 228 C4' DC X 8 12.131 23.427 30.866 1.00 0.00 C ATOM 229 O4' DC X 8 13.405 23.038 30.447 1.00 0.00 O ATOM 230 C3' DC X 8 11.210 22.345 30.373 1.00 0.00 C ATOM 231 O3' DC X 8 10.389 22.860 29.343 1.00 0.00 O ATOM 232 C2' DC X 8 12.164 21.231 30.017 1.00 0.00 C ATOM 233 C1' DC X 8 13.338 22.042 29.510 1.00 0.00 C ATOM 234 N1 DC X 8 14.600 21.232 29.447 1.00 0.00 N ATOM 235 C2 DC X 8 15.072 20.799 28.295 1.00 0.00 C ATOM 236 O2 DC X 8 14.379 21.023 27.274 1.00 0.00 O ATOM 237 N3 DC X 8 16.187 20.026 28.104 1.00 0.00 N ATOM 238 C4 DC X 8 16.866 19.760 29.252 1.00 0.00 C ATOM 239 N4 DC X 8 17.998 19.127 29.033 1.00 0.00 N ATOM 240 C5 DC X 8 16.405 20.206 30.526 1.00 0.00 C ATOM 241 C6 DC X 8 15.260 20.942 30.617 1.00 0.00 C ATOM 0 H5' DC X 8 11.208 23.728 32.808 1.00 0.00 H new ATOM 0 H5'' DC X 8 12.454 22.496 32.800 1.00 0.00 H new ATOM 0 H4' DC X 8 11.783 24.390 30.494 1.00 0.00 H new ATOM 0 H3' DC X 8 10.473 21.962 31.079 1.00 0.00 H new ATOM 0 H2' DC X 8 12.424 20.614 30.877 1.00 0.00 H new ATOM 0 H2'' DC X 8 11.760 20.563 29.257 1.00 0.00 H new ATOM 0 HO3' DC X 8 9.789 22.156 29.020 1.00 0.00 H new ATOM 0 H1' DC X 8 13.218 22.405 28.489 1.00 0.00 H new ATOM 0 H41 DC X 8 18.599 18.871 29.816 1.00 0.00 H new ATOM 0 H42 DC X 8 18.275 18.892 28.080 1.00 0.00 H new ATOM 0 H5 DC X 8 16.962 19.961 31.418 1.00 0.00 H new ATOM 0 H6 DC X 8 14.887 21.283 31.571 1.00 0.00 H new TER 254 DC X 8 ATOM 255 O5' DG Y 9 12.301 17.636 20.056 1.00 0.00 O ATOM 256 C5' DG Y 9 13.185 16.731 19.353 1.00 0.00 C ATOM 257 C4' DG Y 9 14.707 17.132 19.385 1.00 0.00 C ATOM 258 O4' DG Y 9 15.175 17.134 20.674 1.00 0.00 O ATOM 259 C3' DG Y 9 15.728 16.110 18.716 1.00 0.00 C ATOM 260 O3' DG Y 9 16.389 16.628 17.594 1.00 0.00 O ATOM 261 C2' DG Y 9 16.902 15.930 19.721 1.00 0.00 C ATOM 262 C1' DG Y 9 16.557 17.141 20.629 1.00 0.00 C ATOM 263 N9 DG Y 9 17.050 17.080 22.047 1.00 0.00 N ATOM 264 C8 DG Y 9 18.156 16.359 22.459 1.00 0.00 C ATOM 265 N7 DG Y 9 18.523 16.647 23.677 1.00 0.00 N ATOM 266 C5 DG Y 9 17.706 17.644 24.074 1.00 0.00 C ATOM 267 C6 DG Y 9 17.540 18.257 25.366 1.00 0.00 C ATOM 268 O6 DG Y 9 18.189 18.189 26.417 1.00 0.00 O ATOM 269 N1 DG Y 9 16.514 19.149 25.356 1.00 0.00 N ATOM 270 C2 DG Y 9 15.746 19.469 24.286 1.00 0.00 C ATOM 271 N2 DG Y 9 14.760 20.297 24.454 1.00 0.00 N ATOM 272 N3 DG Y 9 15.788 18.820 23.155 1.00 0.00 N ATOM 273 C4 DG Y 9 16.793 17.943 23.081 1.00 0.00 C ATOM 0 H5' DG Y 9 12.863 16.666 18.314 1.00 0.00 H new ATOM 0 H5'' DG Y 9 13.078 15.735 19.782 1.00 0.00 H new ATOM 0 H4' DG Y 9 14.690 18.084 18.854 1.00 0.00 H new ATOM 0 H3' DG Y 9 15.150 15.224 18.453 1.00 0.00 H new ATOM 0 H2' DG Y 9 16.875 14.976 20.248 1.00 0.00 H new ATOM 0 H2'' DG Y 9 17.884 16.008 19.254 1.00 0.00 H new ATOM 0 HO5' DG Y 9 11.378 17.314 19.984 1.00 0.00 H new ATOM 0 H1' DG Y 9 17.038 18.025 20.210 1.00 0.00 H new ATOM 0 H8 DG Y 9 18.662 15.634 21.838 1.00 0.00 H new ATOM 0 H1 DG Y 9 16.303 19.621 26.235 1.00 0.00 H new ATOM 0 H21 DG Y 9 14.168 20.553 23.663 1.00 0.00 H new ATOM 0 H22 DG Y 9 14.577 20.692 25.377 1.00 0.00 H new ATOM 286 P DC Y 10 15.566 17.284 16.380 1.00 0.00 P ATOM 287 OP1 DC Y 10 14.349 16.477 16.230 1.00 0.00 O ATOM 288 OP2 DC Y 10 16.375 17.611 15.163 1.00 0.00 O1- ATOM 289 O5' DC Y 10 15.064 18.725 16.822 1.00 0.00 O ATOM 290 C5' DC Y 10 15.840 19.949 16.900 1.00 0.00 C ATOM 291 C4' DC Y 10 15.330 20.786 18.065 1.00 0.00 C ATOM 292 O4' DC Y 10 15.788 20.351 19.355 1.00 0.00 O ATOM 293 C3' DC Y 10 15.886 22.230 17.994 1.00 0.00 C ATOM 294 O3' DC Y 10 14.816 22.907 17.375 1.00 0.00 O ATOM 295 C2' DC Y 10 16.277 22.627 19.427 1.00 0.00 C ATOM 296 C1' DC Y 10 16.146 21.400 20.302 1.00 0.00 C ATOM 297 N1 DC Y 10 17.394 21.274 21.091 1.00 0.00 N ATOM 298 C2 DC Y 10 17.390 21.877 22.354 1.00 0.00 C ATOM 299 O2 DC Y 10 16.418 22.529 22.711 1.00 0.00 O ATOM 300 N3 DC Y 10 18.343 21.581 23.271 1.00 0.00 N ATOM 301 C4 DC Y 10 19.253 20.678 22.908 1.00 0.00 C ATOM 302 N4 DC Y 10 20.074 20.337 23.836 1.00 0.00 N ATOM 303 C5 DC Y 10 19.317 20.028 21.668 1.00 0.00 C ATOM 304 C6 DC Y 10 18.423 20.422 20.702 1.00 0.00 C ATOM 0 H5' DC Y 10 15.755 20.509 15.969 1.00 0.00 H new ATOM 0 H5'' DC Y 10 16.896 19.717 17.037 1.00 0.00 H new ATOM 0 H4' DC Y 10 14.247 20.701 17.972 1.00 0.00 H new ATOM 0 H3' DC Y 10 16.795 22.434 17.427 1.00 0.00 H new ATOM 0 H2' DC Y 10 17.299 23.006 19.452 1.00 0.00 H new ATOM 0 H2'' DC Y 10 15.631 23.426 19.791 1.00 0.00 H new ATOM 0 H1' DC Y 10 15.382 21.393 21.080 1.00 0.00 H new ATOM 0 H41 DC Y 10 20.804 19.650 23.644 1.00 0.00 H new ATOM 0 H42 DC Y 10 19.996 20.753 24.764 1.00 0.00 H new ATOM 0 H5 DC Y 10 20.040 19.248 21.479 1.00 0.00 H new ATOM 0 H6 DC Y 10 18.515 20.084 19.681 1.00 0.00 H new ATOM 316 P DT Y 11 15.114 24.265 16.526 1.00 0.00 P ATOM 317 OP1 DT Y 11 13.906 24.613 15.797 1.00 0.00 O ATOM 318 OP2 DT Y 11 16.382 23.999 15.754 1.00 0.00 O1- ATOM 319 O5' DT Y 11 15.341 25.145 17.688 1.00 0.00 O ATOM 320 C5' DT Y 11 14.251 25.551 18.534 1.00 0.00 C ATOM 321 C4' DT Y 11 14.715 26.394 19.774 1.00 0.00 C ATOM 322 O4' DT Y 11 15.610 25.614 20.531 1.00 0.00 O ATOM 323 C3' DT Y 11 15.489 27.604 19.393 1.00 0.00 C ATOM 324 O3' DT Y 11 14.794 28.637 20.200 1.00 0.00 O ATOM 325 C2' DT Y 11 16.971 27.389 19.738 1.00 0.00 C ATOM 326 C1' DT Y 11 16.763 26.427 20.867 1.00 0.00 C ATOM 327 N1 DT Y 11 18.006 25.681 21.239 1.00 0.00 N ATOM 328 C2 DT Y 11 18.334 25.587 22.588 1.00 0.00 C ATOM 329 O2 DT Y 11 17.750 26.227 23.446 1.00 0.00 O ATOM 330 N3 DT Y 11 19.390 24.758 22.878 1.00 0.00 N ATOM 331 C4 DT Y 11 20.102 24.084 21.945 1.00 0.00 C ATOM 332 O4 DT Y 11 21.036 23.427 22.376 1.00 0.00 O ATOM 333 C5 DT Y 11 19.717 24.198 20.555 1.00 0.00 C ATOM 334 C7 DT Y 11 20.547 23.491 19.516 1.00 0.00 C ATOM 335 C6 DT Y 11 18.739 25.059 20.280 1.00 0.00 C ATOM 0 H5' DT Y 11 13.720 24.665 18.883 1.00 0.00 H new ATOM 0 H5'' DT Y 11 13.543 26.137 17.948 1.00 0.00 H new ATOM 0 H4' DT Y 11 13.811 26.685 20.308 1.00 0.00 H new ATOM 0 H3' DT Y 11 15.515 27.870 18.336 1.00 0.00 H new ATOM 0 H2' DT Y 11 17.546 26.966 18.914 1.00 0.00 H new ATOM 0 H2'' DT Y 11 17.478 28.305 20.043 1.00 0.00 H new ATOM 0 H1' DT Y 11 16.543 26.953 21.796 1.00 0.00 H new ATOM 0 H3 DT Y 11 19.654 24.643 23.857 1.00 0.00 H new ATOM 0 H71 DT Y 11 19.914 23.211 18.674 1.00 0.00 H new ATOM 0 H72 DT Y 11 21.339 24.155 19.170 1.00 0.00 H new ATOM 0 H73 DT Y 11 20.989 22.595 19.952 1.00 0.00 H new ATOM 0 H6 DT Y 11 18.518 25.273 19.245 1.00 0.00 H new ATOM 348 P DA Y 12 14.450 30.037 19.654 1.00 0.00 P ATOM 349 OP1 DA Y 12 13.346 30.527 20.539 1.00 0.00 O ATOM 350 OP2 DA Y 12 14.127 29.915 18.215 1.00 0.00 O1- ATOM 351 O5' DA Y 12 15.849 30.872 19.859 1.00 0.00 O ATOM 352 C5' DA Y 12 16.076 31.483 21.135 1.00 0.00 C ATOM 353 C4' DA Y 12 17.547 31.332 21.589 1.00 0.00 C ATOM 354 O4' DA Y 12 18.015 30.016 21.990 1.00 0.00 O ATOM 355 C3' DA Y 12 18.555 31.674 20.492 1.00 0.00 C ATOM 356 O3' DA Y 12 18.426 33.034 20.270 1.00 0.00 O ATOM 357 C2' DA Y 12 19.835 31.186 21.268 1.00 0.00 C ATOM 358 C1' DA Y 12 19.364 30.153 22.265 1.00 0.00 C ATOM 359 N9 DA Y 12 20.098 28.827 22.203 1.00 0.00 N ATOM 360 C8 DA Y 12 20.675 28.224 21.172 1.00 0.00 C ATOM 361 N7 DA Y 12 21.522 27.259 21.527 1.00 0.00 N ATOM 362 C5 DA Y 12 21.686 27.433 22.909 1.00 0.00 C ATOM 363 C6 DA Y 12 22.472 26.906 23.939 1.00 0.00 C ATOM 364 N6 DA Y 12 23.296 25.905 23.805 1.00 0.00 N ATOM 365 N1 DA Y 12 22.434 27.366 25.167 1.00 0.00 N ATOM 366 C2 DA Y 12 21.562 28.296 25.386 1.00 0.00 C ATOM 367 N3 DA Y 12 20.786 28.909 24.543 1.00 0.00 N ATOM 368 C4 DA Y 12 20.829 28.411 23.331 1.00 0.00 C ATOM 0 H5' DA Y 12 15.418 31.031 21.877 1.00 0.00 H new ATOM 0 H5'' DA Y 12 15.818 32.541 21.083 1.00 0.00 H new ATOM 0 H4' DA Y 12 17.512 32.010 22.442 1.00 0.00 H new ATOM 0 H3' DA Y 12 18.497 31.246 19.491 1.00 0.00 H new ATOM 0 H2' DA Y 12 20.565 30.758 20.581 1.00 0.00 H new ATOM 0 H2'' DA Y 12 20.323 32.019 21.774 1.00 0.00 H new ATOM 0 H1' DA Y 12 19.567 30.481 23.284 1.00 0.00 H new ATOM 0 H8 DA Y 12 20.477 28.490 20.144 1.00 0.00 H new ATOM 0 H61 DA Y 12 23.836 25.578 24.606 1.00 0.00 H new ATOM 0 H62 DA Y 12 23.401 25.449 22.899 1.00 0.00 H new ATOM 0 H2 DA Y 12 21.465 28.607 26.416 1.00 0.00 H new ATOM 380 P DT Y 13 19.033 33.768 18.956 1.00 0.00 P ATOM 381 OP1 DT Y 13 18.315 35.033 18.821 1.00 0.00 O ATOM 382 OP2 DT Y 13 19.114 32.837 17.856 1.00 0.00 O1- ATOM 383 O5' DT Y 13 20.483 34.303 19.255 1.00 0.00 O ATOM 384 C5' DT Y 13 21.647 33.465 19.189 1.00 0.00 C ATOM 385 C4' DT Y 13 22.815 34.460 19.177 1.00 0.00 C ATOM 386 O4' DT Y 13 24.099 33.781 19.207 1.00 0.00 O ATOM 387 C3' DT Y 13 22.792 35.491 18.032 1.00 0.00 C ATOM 388 O3' DT Y 13 23.006 36.867 18.516 1.00 0.00 O ATOM 389 C2' DT Y 13 24.027 34.985 17.191 1.00 0.00 C ATOM 390 C1' DT Y 13 24.950 34.435 18.250 1.00 0.00 C ATOM 391 N1 DT Y 13 26.028 33.602 17.624 1.00 0.00 N ATOM 392 C2 DT Y 13 27.109 34.317 17.170 1.00 0.00 C ATOM 393 O2 DT Y 13 27.180 35.523 17.155 1.00 0.00 O ATOM 394 N3 DT Y 13 28.209 33.562 16.822 1.00 0.00 N ATOM 395 C4 DT Y 13 28.242 32.196 16.702 1.00 0.00 C ATOM 396 O4 DT Y 13 29.188 31.807 16.039 1.00 0.00 O ATOM 397 C5 DT Y 13 27.062 31.513 17.234 1.00 0.00 C ATOM 398 C7 DT Y 13 27.209 29.953 17.308 1.00 0.00 C ATOM 399 C6 DT Y 13 26.022 32.222 17.705 1.00 0.00 C ATOM 0 H5' DT Y 13 21.642 32.843 18.294 1.00 0.00 H new ATOM 0 H5'' DT Y 13 21.704 32.792 20.044 1.00 0.00 H new ATOM 0 H4' DT Y 13 22.677 35.033 20.094 1.00 0.00 H new ATOM 0 H3' DT Y 13 21.847 35.548 17.492 1.00 0.00 H new ATOM 0 H2' DT Y 13 23.739 34.221 16.469 1.00 0.00 H new ATOM 0 H2'' DT Y 13 24.493 35.795 16.629 1.00 0.00 H new ATOM 0 H1' DT Y 13 25.520 35.195 18.784 1.00 0.00 H new ATOM 0 H3 DT Y 13 29.077 34.065 16.637 1.00 0.00 H new ATOM 0 H71 DT Y 13 26.612 29.570 18.136 1.00 0.00 H new ATOM 0 H72 DT Y 13 26.862 29.510 16.375 1.00 0.00 H new ATOM 0 H73 DT Y 13 28.256 29.693 17.465 1.00 0.00 H new ATOM 0 H6 DT Y 13 25.179 31.712 18.148 1.00 0.00 H new ATOM 412 P DA Y 14 23.211 38.088 17.505 1.00 0.00 P ATOM 413 OP1 DA Y 14 22.738 39.283 18.198 1.00 0.00 O ATOM 414 OP2 DA Y 14 22.581 37.647 16.256 1.00 0.00 O1- ATOM 415 O5' DA Y 14 24.740 38.171 17.393 1.00 0.00 O ATOM 416 C5' DA Y 14 25.575 39.152 18.016 1.00 0.00 C ATOM 417 C4' DA Y 14 25.711 39.052 19.566 1.00 0.00 C ATOM 418 O4' DA Y 14 26.117 37.708 20.019 1.00 0.00 O ATOM 419 C3' DA Y 14 26.729 40.034 20.091 1.00 0.00 C ATOM 420 O3' DA Y 14 26.292 40.534 21.385 1.00 0.00 O ATOM 421 C2' DA Y 14 27.993 39.205 20.197 1.00 0.00 C ATOM 422 C1' DA Y 14 27.318 37.933 20.738 1.00 0.00 C ATOM 423 N9 DA Y 14 28.226 36.742 20.661 1.00 0.00 N ATOM 424 C8 DA Y 14 28.811 36.107 19.592 1.00 0.00 C ATOM 425 N7 DA Y 14 29.550 35.093 19.931 1.00 0.00 N ATOM 426 C5 DA Y 14 29.480 35.088 21.380 1.00 0.00 C ATOM 427 C6 DA Y 14 30.009 34.278 22.355 1.00 0.00 C ATOM 428 N6 DA Y 14 30.849 33.298 22.153 1.00 0.00 N ATOM 429 N1 DA Y 14 29.704 34.414 23.657 1.00 0.00 N ATOM 430 C2 DA Y 14 28.806 35.407 23.901 1.00 0.00 C ATOM 431 N3 DA Y 14 28.272 36.322 23.119 1.00 0.00 N ATOM 432 C4 DA Y 14 28.661 36.082 21.786 1.00 0.00 C ATOM 0 H5' DA Y 14 25.187 40.140 17.769 1.00 0.00 H new ATOM 0 H5'' DA Y 14 26.571 39.082 17.579 1.00 0.00 H new ATOM 0 H4' DA Y 14 24.718 39.278 19.956 1.00 0.00 H new ATOM 0 H3' DA Y 14 26.874 40.912 19.462 1.00 0.00 H new ATOM 0 H2' DA Y 14 28.493 39.055 19.240 1.00 0.00 H new ATOM 0 H2'' DA Y 14 28.731 39.627 20.880 1.00 0.00 H new ATOM 0 H1' DA Y 14 27.089 38.079 21.794 1.00 0.00 H new ATOM 0 H8 DA Y 14 28.670 36.420 18.568 1.00 0.00 H new ATOM 0 H61 DA Y 14 31.190 32.748 22.941 1.00 0.00 H new ATOM 0 H62 DA Y 14 31.164 33.083 21.207 1.00 0.00 H new ATOM 0 H2 DA Y 14 28.469 35.453 24.926 1.00 0.00 H new ATOM 444 P DG Y 15 26.895 41.857 22.001 1.00 0.00 P ATOM 445 OP1 DG Y 15 26.057 42.246 23.149 1.00 0.00 O ATOM 446 OP2 DG Y 15 26.886 42.831 20.843 1.00 0.00 O1- ATOM 447 O5' DG Y 15 28.439 41.527 22.422 1.00 0.00 O ATOM 448 C5' DG Y 15 28.821 40.876 23.662 1.00 0.00 C ATOM 449 C4' DG Y 15 30.273 40.405 23.685 1.00 0.00 C ATOM 450 O4' DG Y 15 30.458 39.359 22.772 1.00 0.00 O ATOM 451 C3' DG Y 15 31.232 41.586 23.363 1.00 0.00 C ATOM 452 O3' DG Y 15 32.391 41.499 24.139 1.00 0.00 O ATOM 453 C2' DG Y 15 31.586 41.146 21.965 1.00 0.00 C ATOM 454 C1' DG Y 15 31.664 39.600 21.969 1.00 0.00 C ATOM 455 N9 DG Y 15 31.689 38.960 20.632 1.00 0.00 N ATOM 456 C8 DG Y 15 31.040 39.322 19.469 1.00 0.00 C ATOM 457 N7 DG Y 15 31.100 38.372 18.507 1.00 0.00 N ATOM 458 C5 DG Y 15 31.934 37.453 19.085 1.00 0.00 C ATOM 459 C6 DG Y 15 32.286 36.134 18.657 1.00 0.00 C ATOM 460 O6 DG Y 15 32.047 35.553 17.627 1.00 0.00 O ATOM 461 N1 DG Y 15 32.903 35.340 19.569 1.00 0.00 N ATOM 462 C2 DG Y 15 33.065 35.717 20.850 1.00 0.00 C ATOM 463 N2 DG Y 15 33.464 34.760 21.638 1.00 0.00 N ATOM 464 N3 DG Y 15 32.794 36.901 21.314 1.00 0.00 N ATOM 465 C4 DG Y 15 32.170 37.698 20.418 1.00 0.00 C ATOM 0 H5' DG Y 15 28.168 40.020 23.829 1.00 0.00 H new ATOM 0 H5'' DG Y 15 28.659 41.567 24.490 1.00 0.00 H new ATOM 0 H4' DG Y 15 30.504 40.038 24.685 1.00 0.00 H new ATOM 0 H3' DG Y 15 30.829 42.588 23.511 1.00 0.00 H new ATOM 0 H2' DG Y 15 30.836 41.490 21.253 1.00 0.00 H new ATOM 0 H2'' DG Y 15 32.539 41.577 21.657 1.00 0.00 H new ATOM 0 H1' DG Y 15 32.586 39.165 22.355 1.00 0.00 H new ATOM 0 H8 DG Y 15 30.535 40.268 19.340 1.00 0.00 H new ATOM 0 H1 DG Y 15 33.255 34.429 19.274 1.00 0.00 H new ATOM 0 H21 DG Y 15 33.616 34.946 22.629 1.00 0.00 H new ATOM 0 H22 DG Y 15 33.624 33.825 21.264 1.00 0.00 H new ATOM 477 P DC Y 16 33.379 42.714 24.445 1.00 0.00 P ATOM 478 OP1 DC Y 16 33.986 42.421 25.814 1.00 0.00 O ATOM 479 OP2 DC Y 16 32.582 43.941 24.380 1.00 0.00 O ATOM 480 O5' DC Y 16 34.477 42.694 23.255 1.00 0.00 O ATOM 481 C5' DC Y 16 35.693 41.925 23.258 1.00 0.00 C ATOM 482 C4' DC Y 16 35.628 40.374 23.419 1.00 0.00 C ATOM 483 O4' DC Y 16 34.961 39.872 22.308 1.00 0.00 O ATOM 484 C3' DC Y 16 37.042 39.780 23.430 1.00 0.00 C ATOM 485 O3' DC Y 16 37.269 38.829 24.405 1.00 0.00 O ATOM 486 C2' DC Y 16 37.157 39.098 22.067 1.00 0.00 C ATOM 487 C1' DC Y 16 35.714 38.790 21.744 1.00 0.00 C ATOM 488 N1 DC Y 16 35.460 38.700 20.284 1.00 0.00 N ATOM 489 C2 DC Y 16 35.842 37.544 19.572 1.00 0.00 C ATOM 490 O2 DC Y 16 36.345 36.467 20.119 1.00 0.00 O ATOM 491 N3 DC Y 16 35.702 37.487 18.219 1.00 0.00 N ATOM 492 C4 DC Y 16 35.425 38.624 17.572 1.00 0.00 C ATOM 493 N4 DC Y 16 35.251 38.609 16.247 1.00 0.00 N ATOM 494 C5 DC Y 16 35.022 39.789 18.258 1.00 0.00 C ATOM 495 C6 DC Y 16 35.057 39.799 19.612 1.00 0.00 C ATOM 0 H5' DC Y 16 36.319 42.310 24.063 1.00 0.00 H new ATOM 0 H5'' DC Y 16 36.212 42.134 22.323 1.00 0.00 H new ATOM 0 H4' DC Y 16 35.124 40.119 24.351 1.00 0.00 H new ATOM 0 H3' DC Y 16 37.764 40.571 23.634 1.00 0.00 H new ATOM 0 H2' DC Y 16 37.611 39.751 21.322 1.00 0.00 H new ATOM 0 H2'' DC Y 16 37.766 38.195 22.113 1.00 0.00 H new ATOM 0 HO3' DC Y 16 38.191 38.505 24.337 1.00 0.00 H new ATOM 0 H1' DC Y 16 35.434 37.818 22.151 1.00 0.00 H new ATOM 0 H41 DC Y 16 35.040 39.475 15.751 1.00 0.00 H new ATOM 0 H42 DC Y 16 35.330 37.732 15.732 1.00 0.00 H new ATOM 0 H5 DC Y 16 34.691 40.660 17.712 1.00 0.00 H new ATOM 0 H6 DC Y 16 34.763 40.686 20.154 1.00 0.00 H new TER 508 DC Y 16 HETATM 509 C1 4JF Y 101 27.189 26.349 23.454 1.00 0.00 C HETATM 510 C2 4JF Y 101 27.083 26.470 24.848 1.00 0.00 C HETATM 511 C3 4JF Y 101 26.335 27.466 25.450 1.00 0.00 C HETATM 512 C4 4JF Y 101 25.639 28.424 24.651 1.00 0.00 C HETATM 513 C5 4JF Y 101 25.874 28.253 23.243 1.00 0.00 C HETATM 514 C6 4JF Y 101 26.712 27.323 22.666 1.00 0.00 C HETATM 515 C9 4JF Y 101 24.742 29.497 25.232 1.00 0.00 C HETATM 516 C10 4JF Y 101 26.280 27.640 26.957 1.00 0.00 C HETATM 517 C11 4JF Y 101 24.821 29.735 26.584 1.00 0.00 C HETATM 518 C12 4JF Y 101 25.547 28.849 27.412 1.00 0.00 C HETATM 519 O13 4JF Y 101 23.982 30.110 24.423 1.00 0.00 O HETATM 520 O14 4JF Y 101 26.796 26.895 27.727 1.00 0.00 O HETATM 521 O15 4JF Y 101 25.299 29.188 22.435 1.00 0.00 O HETATM 522 O17 4JF Y 101 27.684 25.554 25.675 1.00 0.00 O HETATM 523 C19 4JF Y 101 24.326 30.781 27.406 1.00 0.00 C HETATM 524 C20 4JF Y 101 24.709 30.489 28.665 1.00 0.00 C HETATM 525 C21 4JF Y 101 25.469 29.232 28.752 1.00 0.00 C HETATM 526 C22 4JF Y 101 23.544 31.971 27.076 1.00 0.00 C HETATM 527 N23 4JF Y 101 25.878 28.620 29.844 1.00 0.00 N HETATM 528 N24 4JF Y 101 26.263 28.113 30.797 1.00 0.00 N HETATM 529 O25 4JF Y 101 25.637 32.002 30.096 1.00 0.00 O HETATM 530 C26 4JF Y 101 23.608 33.103 28.076 1.00 0.00 C HETATM 531 C28 4JF Y 101 23.301 32.517 29.502 1.00 0.00 C HETATM 532 C29 4JF Y 101 24.342 31.371 29.862 1.00 0.00 C HETATM 533 C31 4JF Y 101 21.806 31.874 29.389 1.00 0.00 C HETATM 534 C34 4JF Y 101 21.500 30.705 30.318 1.00 0.00 C HETATM 535 O38 4JF Y 101 22.883 31.951 26.072 1.00 0.00 O HETATM 536 C39 4JF Y 101 24.915 33.997 27.789 1.00 0.00 C HETATM 537 C41 4JF Y 101 26.023 33.277 27.072 1.00 0.00 C HETATM 538 C42 4JF Y 101 24.643 35.369 26.969 1.00 0.00 C HETATM 539 O43 4JF Y 101 26.847 32.718 27.709 1.00 0.00 O HETATM 540 C44 4JF Y 101 26.055 33.257 25.656 1.00 0.00 C HETATM 541 C45 4JF Y 101 25.236 34.092 24.814 1.00 0.00 C HETATM 542 C46 4JF Y 101 24.269 35.073 25.401 1.00 0.00 C HETATM 543 C48 4JF Y 101 25.901 36.256 26.941 1.00 0.00 C HETATM 544 C51 4JF Y 101 26.039 37.369 25.753 1.00 0.00 C HETATM 545 O55 4JF Y 101 22.918 34.597 25.219 1.00 0.00 O HETATM 546 C56 4JF Y 101 25.638 34.069 23.511 1.00 0.00 C HETATM 547 C57 4JF Y 101 26.642 33.070 23.390 1.00 0.00 C HETATM 548 C58 4JF Y 101 26.868 32.582 24.682 1.00 0.00 C HETATM 549 C59 4JF Y 101 27.333 32.537 22.221 1.00 0.00 C HETATM 550 C60 4JF Y 101 27.626 31.374 24.945 1.00 0.00 C HETATM 551 O61 4JF Y 101 27.112 33.090 21.104 1.00 0.00 O HETATM 552 O62 4JF Y 101 27.680 30.784 26.013 1.00 0.00 O HETATM 553 C63 4JF Y 101 29.446 29.556 21.461 1.00 0.00 C HETATM 554 C64 4JF Y 101 29.487 28.904 22.701 1.00 0.00 C HETATM 555 C65 4JF Y 101 29.001 29.531 23.825 1.00 0.00 C HETATM 556 C66 4JF Y 101 28.340 30.763 23.705 1.00 0.00 C HETATM 557 C67 4JF Y 101 28.248 31.381 22.414 1.00 0.00 C HETATM 558 C68 4JF Y 101 28.886 30.786 21.338 1.00 0.00 C HETATM 559 O71 4JF Y 101 29.174 28.923 24.988 1.00 0.00 O HETATM 560 O73 4JF Y 101 28.703 31.382 20.134 1.00 0.00 O HETATM 561 N75 4JF Y 101 25.132 34.873 22.569 1.00 0.00 N HETATM 562 N76 4JF Y 101 24.878 35.691 21.855 1.00 0.00 N HETATM 563 C77 4JF Y 101 26.215 31.155 33.759 1.00 0.00 C HETATM 564 C78 4JF Y 101 26.201 31.933 31.407 1.00 0.00 C HETATM 565 C79 4JF Y 101 27.733 31.597 31.295 1.00 0.00 C HETATM 566 C80 4JF Y 101 28.462 31.803 32.661 1.00 0.00 C HETATM 567 C81 4JF Y 101 27.791 30.862 33.700 1.00 0.00 C HETATM 568 O88 4JF Y 101 25.637 31.015 32.401 1.00 0.00 O HETATM 569 C89 4JF Y 101 25.508 30.151 34.644 1.00 0.00 C HETATM 570 N93 4JF Y 101 28.435 31.084 34.990 1.00 0.00 N HETATM 571 O94 4JF Y 101 29.828 31.491 32.419 1.00 0.00 O HETATM 572 C96 4JF Y 101 28.412 32.450 35.482 1.00 0.00 C HETATM 573 C0A 4JF Y 101 29.769 30.395 35.189 1.00 0.00 C HETATM 574 C4A 4JF Y 101 21.941 35.420 24.512 1.00 0.00 C HETATM 575 C5A 4JF Y 101 20.920 34.638 23.837 1.00 0.00 C HETATM 576 C6A 4JF Y 101 19.870 35.525 23.093 1.00 0.00 C HETATM 577 C7A 4JF Y 101 20.660 36.510 22.135 1.00 0.00 C HETATM 578 C8A 4JF Y 101 21.715 37.234 22.937 1.00 0.00 C HETATM 579 O5B 4JF Y 101 22.618 36.240 23.450 1.00 0.00 O HETATM 580 O6B 4JF Y 101 18.921 34.730 22.554 1.00 0.00 O HETATM 581 N8B 4JF Y 101 19.717 37.354 21.287 1.00 0.00 N HETATM 582 C9B 4JF Y 101 19.141 38.545 22.061 1.00 0.00 C HETATM 583 C3C 4JF Y 101 20.099 37.703 19.933 1.00 0.00 C HETATM 584 C7C 4JF Y 101 22.569 38.048 22.033 1.00 0.00 C HETATM 585 O1D 4JF Y 101 23.575 36.032 27.645 1.00 0.00 O HETATM 586 O2D 4JF Y 101 23.408 33.679 30.388 1.00 0.00 O HETATM 587 C3D 4JF Y 101 23.176 33.415 31.765 1.00 0.00 C HETATM 588 C4D 4JF Y 101 23.994 34.400 32.577 1.00 0.00 C HETATM 589 C6D 4JF Y 101 23.405 35.780 32.428 1.00 0.00 C HETATM 590 C9D 4JF Y 101 21.154 34.735 31.913 1.00 0.00 C HETATM 591 C0E 4JF Y 101 21.915 35.804 32.768 1.00 0.00 C HETATM 592 O4E 4JF Y 101 21.796 33.449 32.192 1.00 0.00 O HETATM 593 C5E 4JF Y 101 19.695 34.535 32.376 1.00 0.00 C HETATM 594 O9E 4JF Y 101 21.411 37.153 32.608 1.00 0.00 O HETATM 595 O1F 4JF Y 101 23.946 36.579 33.477 1.00 0.00 O HETATM 596 C2F 4JF Y 101 25.401 36.832 33.284 1.00 0.00 C HETATM 597 C6F 4JF Y 101 22.953 37.239 27.196 1.00 0.00 C HETATM 598 C7F 4JF Y 101 21.532 37.402 27.846 1.00 0.00 C HETATM 599 C9F 4JF Y 101 21.515 37.787 29.301 1.00 0.00 C HETATM 600 C2G 4JF Y 101 23.787 38.903 28.757 1.00 0.00 C HETATM 601 C3G 4JF Y 101 22.475 39.012 29.563 1.00 0.00 C HETATM 602 O7G 4JF Y 101 23.609 38.531 27.403 1.00 0.00 O HETATM 603 O8G 4JF Y 101 22.747 39.067 30.944 1.00 0.00 O HETATM 604 O0H 4JF Y 101 20.110 38.164 29.661 1.00 0.00 O HETATM 605 C1H 4JF Y 101 19.098 37.153 29.606 1.00 0.00 C HETATM 606 C5H 4JF Y 101 24.656 40.143 28.661 1.00 0.00 C