USER MOD reduce.3.24.130724 H: found=0, std=0, add=197, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 198 hydrogens (30 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 NoAdj-H: A 1 DSN H2 : A 1 DSN N : A 0 QUI C :(H bumps) USER MOD NoAdj-H: A 1 DSN H : A 1 DSN N : A 0 QUI C :(H bumps) USER MOD NoAdj-H: A 3 NCY H : A 3 NCY N : A 2 ALA C :(H bumps) USER MOD NoAdj-H: A 5 DSN H2 : A 5 DSN N : A 9 QUI C :(H bumps) USER MOD NoAdj-H: A 7 NCY H : A 7 NCY N : A 6 ALA C :(H bumps) USER MOD Single : C 1 DG O5' : rot 180:sc= -2.41! USER MOD Single : C 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0127) USER MOD Single : C 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 6 DC O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot 180:sc= 0 USER MOD Single : D 3 DT C7 :methyl -30:sc= 0 (180deg=-0.00373) USER MOD Single : D 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 6 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N DSN A 1 -5.436 0.286 -0.555 1.00 0.00 N HETATM 2 CA DSN A 1 -6.086 0.345 -1.905 1.00 0.00 C HETATM 3 C DSN A 1 -5.152 0.488 -3.125 1.00 0.00 C HETATM 4 O DSN A 1 -5.509 0.060 -4.207 1.00 0.00 O HETATM 5 CB DSN A 1 -6.958 -0.940 -2.033 1.00 0.00 C HETATM 6 OG DSN A 1 -6.030 -2.005 -2.068 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.642 -1.039 -1.190 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.567 -0.916 -2.937 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.661 1.270 -1.938 1.00 0.00 H new ATOM 11 N ALA A 2 -3.996 1.073 -2.937 1.00 0.00 N ATOM 12 CA ALA A 2 -3.039 1.254 -4.096 1.00 0.00 C ATOM 13 C ALA A 2 -2.221 -0.026 -4.385 1.00 0.00 C ATOM 14 O ALA A 2 -2.108 -0.882 -3.522 1.00 0.00 O ATOM 15 CB ALA A 2 -2.124 2.510 -3.654 1.00 0.00 C ATOM 0 H ALA A 2 -3.666 1.434 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.552 1.442 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.393 2.721 -4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.756 3.385 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.604 2.273 -2.726 1.00 0.00 H new HETATM 21 N NCY A 3 -1.690 -0.112 -5.598 1.00 0.00 N HETATM 22 CA NCY A 3 -0.876 -1.326 -5.950 1.00 0.00 C HETATM 23 CB NCY A 3 -1.642 -2.187 -6.956 1.00 0.00 C HETATM 24 SG NCY A 3 -3.184 -2.950 -6.401 1.00 0.00 S HETATM 25 CN NCY A 3 -1.560 0.817 -6.780 1.00 0.00 C HETATM 26 C NCY A 3 0.532 -1.064 -6.474 1.00 0.00 C HETATM 27 O NCY A 3 0.781 -0.848 -7.644 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -0.511 1.071 -6.929 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -1.945 0.325 -7.673 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.130 1.727 -6.592 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -1.867 -1.569 -7.825 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -0.977 -2.981 -7.294 1.00 0.00 H new HETATM 0 HA NCY A 3 -0.729 -1.841 -5.001 1.00 0.00 H new ATOM 34 N VAL A 4 1.404 -1.109 -5.506 1.00 0.00 N ATOM 35 CA VAL A 4 2.862 -0.883 -5.736 1.00 0.00 C ATOM 36 C VAL A 4 3.498 -2.132 -5.075 1.00 0.00 C ATOM 37 O VAL A 4 2.991 -3.227 -5.227 1.00 0.00 O ATOM 38 CB VAL A 4 3.342 0.561 -5.019 1.00 0.00 C ATOM 39 CG1 VAL A 4 3.199 2.017 -5.849 1.00 0.00 C ATOM 40 CG2 VAL A 4 2.208 0.885 -3.857 1.00 0.00 C ATOM 0 H VAL A 4 1.160 -1.299 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 4 3.153 -0.780 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 4 4.391 0.359 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.560 2.831 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.791 1.974 -6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.153 2.190 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.462 1.816 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.227 0.981 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.187 0.071 -3.132 1.00 0.00 H new HETATM 50 N DSN A 5 4.803 -1.569 -1.617 1.00 0.00 N HETATM 51 CA DSN A 5 5.057 -2.901 -2.250 1.00 0.00 C HETATM 52 C DSN A 5 3.874 -3.867 -2.369 1.00 0.00 C HETATM 53 O DSN A 5 3.929 -4.711 -3.247 1.00 0.00 O HETATM 54 CB DSN A 5 5.643 -2.609 -3.661 1.00 0.00 C HETATM 55 OG DSN A 5 4.601 -1.950 -4.351 1.00 0.00 O HETATM 0 HB3 DSN A 5 6.534 -1.984 -3.599 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.934 -3.529 -4.168 1.00 0.00 H new HETATM 0 HA DSN A 5 5.731 -3.434 -1.580 1.00 0.00 H new HETATM 0 H DSN A 5 3.868 -1.333 -1.283 1.00 0.00 H new ATOM 60 N ALA A 6 2.853 -3.787 -1.547 1.00 0.00 N ATOM 61 CA ALA A 6 1.791 -4.812 -1.824 1.00 0.00 C ATOM 62 C ALA A 6 0.654 -4.138 -2.710 1.00 0.00 C ATOM 63 O ALA A 6 0.692 -2.943 -2.985 1.00 0.00 O ATOM 64 CB ALA A 6 1.948 -5.471 -0.047 1.00 0.00 C ATOM 0 H ALA A 6 2.710 -3.134 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 6 1.705 -5.685 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.251 -6.296 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.966 -5.822 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.717 -4.673 0.659 1.00 0.00 H new HETATM 70 N NCY A 7 -0.310 -4.935 -3.159 1.00 0.00 N HETATM 71 CA NCY A 7 -1.450 -4.443 -4.000 1.00 0.00 C HETATM 72 CB NCY A 7 -1.411 -5.163 -5.336 1.00 0.00 C HETATM 73 SG NCY A 7 -2.761 -4.922 -6.518 1.00 0.00 S HETATM 74 CN NCY A 7 -0.667 -6.169 -2.415 1.00 0.00 C HETATM 75 C NCY A 7 -2.752 -4.695 -3.265 1.00 0.00 C HETATM 76 O NCY A 7 -3.346 -5.752 -3.389 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -1.514 -5.966 -1.759 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 -0.935 -6.955 -3.121 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.185 -6.493 -1.818 1.00 0.00 H new HETATM 0 HB3 NCY A 7 -0.485 -4.876 -5.835 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -1.344 -6.231 -5.130 1.00 0.00 H new HETATM 0 HA NCY A 7 -1.369 -3.372 -4.183 1.00 0.00 H new ATOM 83 N VAL A 8 -3.151 -3.689 -2.527 1.00 0.00 N ATOM 84 CA VAL A 8 -4.411 -3.842 -1.736 1.00 0.00 C ATOM 85 C VAL A 8 -5.582 -3.177 -2.520 1.00 0.00 C ATOM 86 O VAL A 8 -6.052 -3.719 -3.501 1.00 0.00 O ATOM 87 CB VAL A 8 -4.172 -3.147 -0.261 1.00 0.00 C ATOM 88 CG1 VAL A 8 -5.422 -3.176 0.800 1.00 0.00 C ATOM 89 CG2 VAL A 8 -2.954 -3.744 0.749 1.00 0.00 C ATOM 0 H VAL A 8 -2.674 -2.792 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.671 -4.890 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.942 -2.172 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.124 -2.685 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.276 -2.653 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.697 -4.210 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.937 -3.171 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.149 -4.793 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.990 -3.653 0.249 1.00 0.00 H new TER 99 VAL A 8 ATOM 100 O5' DG C 1 10.780 9.491 0.550 1.00 0.00 O ATOM 101 C5' DG C 1 11.463 10.465 -0.244 1.00 0.00 C ATOM 102 C4' DG C 1 11.252 10.251 -1.748 1.00 0.00 C ATOM 103 O4' DG C 1 11.722 8.961 -2.200 1.00 0.00 O ATOM 104 C3' DG C 1 9.803 10.324 -2.177 1.00 0.00 C ATOM 105 O3' DG C 1 9.772 10.667 -3.571 1.00 0.00 O ATOM 106 C2' DG C 1 9.418 8.885 -1.832 1.00 0.00 C ATOM 107 C1' DG C 1 10.597 8.076 -2.412 1.00 0.00 C ATOM 108 N9 DG C 1 10.866 6.817 -1.682 1.00 0.00 N ATOM 109 C8 DG C 1 11.349 6.651 -0.418 1.00 0.00 C ATOM 110 N7 DG C 1 11.530 5.430 -0.025 1.00 0.00 N ATOM 111 C5 DG C 1 11.127 4.698 -1.138 1.00 0.00 C ATOM 112 C6 DG C 1 11.191 3.301 -1.359 1.00 0.00 C ATOM 113 O6 DG C 1 11.534 2.416 -0.581 1.00 0.00 O ATOM 114 N1 DG C 1 10.807 2.965 -2.643 1.00 0.00 N ATOM 115 C2 DG C 1 10.403 3.858 -3.614 1.00 0.00 C ATOM 116 N2 DG C 1 10.067 3.332 -4.792 1.00 0.00 N ATOM 117 N3 DG C 1 10.341 5.180 -3.413 1.00 0.00 N ATOM 118 C4 DG C 1 10.717 5.529 -2.156 1.00 0.00 C ATOM 0 H5' DG C 1 12.529 10.427 -0.021 1.00 0.00 H new ATOM 0 H5'' DG C 1 11.115 11.461 0.030 1.00 0.00 H new ATOM 0 H4' DG C 1 11.824 11.065 -2.192 1.00 0.00 H new ATOM 0 H3' DG C 1 9.134 11.057 -1.726 1.00 0.00 H new ATOM 0 H2' DG C 1 9.316 8.739 -0.757 1.00 0.00 H new ATOM 0 H2'' DG C 1 8.468 8.599 -2.284 1.00 0.00 H new ATOM 0 HO5' DG C 1 10.946 9.668 1.499 1.00 0.00 H new ATOM 0 H1' DG C 1 10.399 7.786 -3.444 1.00 0.00 H new ATOM 0 H8 DG C 1 11.569 7.493 0.222 1.00 0.00 H new ATOM 0 H1 DG C 1 10.824 1.976 -2.893 1.00 0.00 H new ATOM 0 H21 DG C 1 9.760 3.939 -5.552 1.00 0.00 H new ATOM 0 H22 DG C 1 10.117 2.323 -4.933 1.00 0.00 H new ATOM 131 P DA C 2 8.483 10.490 -4.516 1.00 0.00 P ATOM 132 OP1 DA C 2 8.754 11.168 -5.803 1.00 0.00 O ATOM 133 OP2 DA C 2 7.276 10.843 -3.735 1.00 0.00 O ATOM 134 O5' DA C 2 8.484 8.893 -4.769 1.00 0.00 O ATOM 135 C5' DA C 2 7.575 8.263 -5.683 1.00 0.00 C ATOM 136 C4' DA C 2 6.453 7.507 -4.974 1.00 0.00 C ATOM 137 O4' DA C 2 6.967 6.441 -4.139 1.00 0.00 O ATOM 138 C3' DA C 2 5.627 8.407 -4.062 1.00 0.00 C ATOM 139 O3' DA C 2 4.389 8.822 -4.642 1.00 0.00 O ATOM 140 C2' DA C 2 5.512 7.585 -2.762 1.00 0.00 C ATOM 141 C1' DA C 2 6.035 6.181 -3.071 1.00 0.00 C ATOM 142 N9 DA C 2 6.724 5.504 -1.932 1.00 0.00 N ATOM 143 C8 DA C 2 7.051 5.954 -0.677 1.00 0.00 C ATOM 144 N7 DA C 2 7.647 5.109 0.104 1.00 0.00 N ATOM 145 C5 DA C 2 7.733 3.976 -0.695 1.00 0.00 C ATOM 146 C6 DA C 2 8.273 2.707 -0.462 1.00 0.00 C ATOM 147 N6 DA C 2 8.833 2.377 0.701 1.00 0.00 N ATOM 148 N1 DA C 2 8.209 1.814 -1.462 1.00 0.00 N ATOM 149 C2 DA C 2 7.644 2.160 -2.613 1.00 0.00 C ATOM 150 N3 DA C 2 7.101 3.320 -2.953 1.00 0.00 N ATOM 151 C4 DA C 2 7.179 4.200 -1.931 1.00 0.00 C ATOM 0 H5' DA C 2 8.127 7.572 -6.319 1.00 0.00 H new ATOM 0 H5'' DA C 2 7.141 9.020 -6.336 1.00 0.00 H new ATOM 0 H4' DA C 2 5.833 7.112 -5.779 1.00 0.00 H new ATOM 0 H3' DA C 2 6.091 9.375 -3.874 1.00 0.00 H new ATOM 0 H2' DA C 2 6.093 8.045 -1.962 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.477 7.545 -2.422 1.00 0.00 H new ATOM 0 H1' DA C 2 5.221 5.496 -3.308 1.00 0.00 H new ATOM 0 H8 DA C 2 6.823 6.960 -0.357 1.00 0.00 H new ATOM 0 H61 DA C 2 9.217 1.441 0.835 1.00 0.00 H new ATOM 0 H62 DA C 2 8.878 3.060 1.457 1.00 0.00 H new ATOM 0 H2 DA C 2 7.624 1.394 -3.374 1.00 0.00 H new ATOM 163 P DT C 3 3.263 9.637 -3.810 1.00 0.00 P ATOM 164 OP1 DT C 3 2.384 10.341 -4.772 1.00 0.00 O ATOM 165 OP2 DT C 3 3.917 10.388 -2.715 1.00 0.00 O ATOM 166 O5' DT C 3 2.447 8.405 -3.172 1.00 0.00 O ATOM 167 C5' DT C 3 2.044 7.401 -4.104 1.00 0.00 C ATOM 168 C4' DT C 3 1.123 6.351 -3.568 1.00 0.00 C ATOM 169 O4' DT C 3 1.625 5.580 -2.472 1.00 0.00 O ATOM 170 C3' DT C 3 -0.168 6.935 -3.054 1.00 0.00 C ATOM 171 O3' DT C 3 -0.961 7.294 -4.193 1.00 0.00 O ATOM 172 C2' DT C 3 -0.734 5.783 -2.187 1.00 0.00 C ATOM 173 C1' DT C 3 0.504 4.891 -1.877 1.00 0.00 C ATOM 174 N1 DT C 3 0.765 4.556 -0.447 1.00 0.00 N ATOM 175 C2 DT C 3 1.059 3.215 -0.172 1.00 0.00 C ATOM 176 O2 DT C 3 1.060 2.340 -1.037 1.00 0.00 O ATOM 177 N3 DT C 3 1.342 2.895 1.136 1.00 0.00 N ATOM 178 C4 DT C 3 1.355 3.793 2.190 1.00 0.00 C ATOM 179 O4 DT C 3 1.622 3.398 3.319 1.00 0.00 O ATOM 180 C5 DT C 3 1.039 5.168 1.848 1.00 0.00 C ATOM 181 C7 DT C 3 1.049 6.188 3.019 1.00 0.00 C ATOM 182 C6 DT C 3 0.754 5.510 0.551 1.00 0.00 C ATOM 0 H5' DT C 3 2.937 6.911 -4.491 1.00 0.00 H new ATOM 0 H5'' DT C 3 1.557 7.889 -4.948 1.00 0.00 H new ATOM 0 H4' DT C 3 0.995 5.710 -4.440 1.00 0.00 H new ATOM 0 H3' DT C 3 -0.104 7.846 -2.459 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.191 6.161 -1.272 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.503 5.225 -2.720 1.00 0.00 H new ATOM 0 H1' DT C 3 0.317 3.901 -2.294 1.00 0.00 H new ATOM 0 H3 DT C 3 1.559 1.921 1.345 1.00 0.00 H new ATOM 0 H71 DT C 3 0.772 5.682 3.944 1.00 0.00 H new ATOM 0 H72 DT C 3 2.047 6.613 3.122 1.00 0.00 H new ATOM 0 H73 DT C 3 0.334 6.985 2.813 1.00 0.00 H new ATOM 0 H6 DT C 3 0.519 6.536 0.308 1.00 0.00 H new ATOM 195 P DA C 4 -2.413 7.970 -4.101 1.00 0.00 P ATOM 196 OP1 DA C 4 -2.489 9.095 -5.061 1.00 0.00 O ATOM 197 OP2 DA C 4 -2.765 8.187 -2.678 1.00 0.00 O ATOM 198 O5' DA C 4 -3.281 6.743 -4.673 1.00 0.00 O ATOM 199 C5' DA C 4 -4.645 6.612 -4.306 1.00 0.00 C ATOM 200 C4' DA C 4 -4.979 5.225 -3.742 1.00 0.00 C ATOM 201 O4' DA C 4 -4.142 4.910 -2.608 1.00 0.00 O ATOM 202 C3' DA C 4 -6.423 5.305 -3.218 1.00 0.00 C ATOM 203 O3' DA C 4 -7.274 4.183 -3.550 1.00 0.00 O ATOM 204 C2' DA C 4 -6.133 5.505 -1.727 1.00 0.00 C ATOM 205 C1' DA C 4 -4.972 4.560 -1.497 1.00 0.00 C ATOM 206 N9 DA C 4 -4.221 4.695 -0.222 1.00 0.00 N ATOM 207 C8 DA C 4 -4.216 5.692 0.714 1.00 0.00 C ATOM 208 N7 DA C 4 -3.426 5.513 1.733 1.00 0.00 N ATOM 209 C5 DA C 4 -2.845 4.275 1.453 1.00 0.00 C ATOM 210 C6 DA C 4 -2.014 3.427 2.207 1.00 0.00 C ATOM 211 N6 DA C 4 -1.478 3.795 3.371 1.00 0.00 N ATOM 212 N1 DA C 4 -1.761 2.204 1.712 1.00 0.00 N ATOM 213 C2 DA C 4 -2.290 1.841 0.552 1.00 0.00 C ATOM 214 N3 DA C 4 -3.079 2.545 -0.248 1.00 0.00 N ATOM 215 C4 DA C 4 -3.322 3.772 0.270 1.00 0.00 C ATOM 0 H5' DA C 4 -5.271 6.805 -5.177 1.00 0.00 H new ATOM 0 H5'' DA C 4 -4.891 7.370 -3.562 1.00 0.00 H new ATOM 0 H4' DA C 4 -4.835 4.471 -4.516 1.00 0.00 H new ATOM 0 H3' DA C 4 -7.030 6.089 -3.671 1.00 0.00 H new ATOM 0 H2' DA C 4 -5.869 6.538 -1.499 1.00 0.00 H new ATOM 0 H2'' DA C 4 -6.993 5.251 -1.107 1.00 0.00 H new ATOM 0 H1' DA C 4 -5.315 3.528 -1.421 1.00 0.00 H new ATOM 0 H8 DA C 4 -4.830 6.575 0.614 1.00 0.00 H new ATOM 0 H61 DA C 4 -0.881 3.147 3.885 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.665 4.724 3.748 1.00 0.00 H new ATOM 0 H2 DA C 4 -2.047 0.844 0.215 1.00 0.00 H new ATOM 227 P DT C 5 -8.857 4.437 -3.861 1.00 0.00 P ATOM 228 OP1 DT C 5 -8.987 5.787 -4.451 1.00 0.00 O ATOM 229 OP2 DT C 5 -9.635 4.113 -2.650 1.00 0.00 O ATOM 230 O5' DT C 5 -9.287 3.402 -5.025 1.00 0.00 O ATOM 231 C5' DT C 5 -8.896 2.030 -5.120 1.00 0.00 C ATOM 232 C4' DT C 5 -9.447 1.123 -4.022 1.00 0.00 C ATOM 233 O4' DT C 5 -8.944 1.442 -2.699 1.00 0.00 O ATOM 234 C3' DT C 5 -10.982 1.105 -3.921 1.00 0.00 C ATOM 235 O3' DT C 5 -11.505 -0.226 -4.043 1.00 0.00 O ATOM 236 C2' DT C 5 -11.217 1.624 -2.481 1.00 0.00 C ATOM 237 C1' DT C 5 -9.964 1.166 -1.723 1.00 0.00 C ATOM 238 N1 DT C 5 -9.643 1.744 -0.366 1.00 0.00 N ATOM 239 C2 DT C 5 -9.279 0.825 0.611 1.00 0.00 C ATOM 240 O2 DT C 5 -9.237 -0.388 0.415 1.00 0.00 O ATOM 241 N3 DT C 5 -8.957 1.338 1.849 1.00 0.00 N ATOM 242 C4 DT C 5 -8.956 2.660 2.220 1.00 0.00 C ATOM 243 O4 DT C 5 -8.636 2.949 3.373 1.00 0.00 O ATOM 244 C5 DT C 5 -9.343 3.582 1.171 1.00 0.00 C ATOM 245 C7 DT C 5 -9.340 5.099 1.538 1.00 0.00 C ATOM 246 C6 DT C 5 -9.672 3.097 -0.077 1.00 0.00 C ATOM 0 H5' DT C 5 -7.807 1.976 -5.102 1.00 0.00 H new ATOM 0 H5'' DT C 5 -9.219 1.642 -6.086 1.00 0.00 H new ATOM 0 H4' DT C 5 -9.092 0.142 -4.338 1.00 0.00 H new ATOM 0 H3' DT C 5 -11.466 1.688 -4.704 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.325 2.708 -2.458 1.00 0.00 H new ATOM 0 H2'' DT C 5 -12.124 1.204 -2.047 1.00 0.00 H new ATOM 0 H1' DT C 5 -10.088 0.133 -1.399 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.691 0.663 2.566 1.00 0.00 H new ATOM 0 H71 DT C 5 -9.116 5.688 0.649 1.00 0.00 H new ATOM 0 H72 DT C 5 -10.320 5.382 1.923 1.00 0.00 H new ATOM 0 H73 DT C 5 -8.583 5.288 2.299 1.00 0.00 H new ATOM 0 H6 DT C 5 -9.961 3.793 -0.851 1.00 0.00 H new ATOM 259 P DC C 6 -13.032 -0.456 -4.527 1.00 0.00 P ATOM 260 OP1 DC C 6 -13.302 -1.912 -4.533 1.00 0.00 O ATOM 261 OP2 DC C 6 -13.252 0.337 -5.758 1.00 0.00 O ATOM 262 O5' DC C 6 -13.886 0.230 -3.336 1.00 0.00 O ATOM 263 C5' DC C 6 -14.572 -0.483 -2.294 1.00 0.00 C ATOM 264 C4' DC C 6 -13.664 -1.406 -1.474 1.00 0.00 C ATOM 265 O4' DC C 6 -12.564 -0.689 -0.909 1.00 0.00 O ATOM 266 C3' DC C 6 -14.403 -2.031 -0.279 1.00 0.00 C ATOM 267 O3' DC C 6 -15.253 -3.120 -0.652 1.00 0.00 O ATOM 268 C2' DC C 6 -13.184 -2.515 0.486 1.00 0.00 C ATOM 269 C1' DC C 6 -12.188 -1.355 0.309 1.00 0.00 C ATOM 270 N1 DC C 6 -12.067 -0.421 1.466 1.00 0.00 N ATOM 271 C2 DC C 6 -11.383 -0.848 2.607 1.00 0.00 C ATOM 272 O2 DC C 6 -10.898 -1.976 2.701 1.00 0.00 O ATOM 273 N3 DC C 6 -11.262 0.018 3.643 1.00 0.00 N ATOM 274 C4 DC C 6 -11.781 1.249 3.588 1.00 0.00 C ATOM 275 N4 DC C 6 -11.628 2.064 4.631 1.00 0.00 N ATOM 276 C5 DC C 6 -12.490 1.709 2.436 1.00 0.00 C ATOM 277 C6 DC C 6 -12.607 0.838 1.398 1.00 0.00 C ATOM 0 H5' DC C 6 -15.371 -1.076 -2.738 1.00 0.00 H new ATOM 0 H5'' DC C 6 -15.043 0.236 -1.624 1.00 0.00 H new ATOM 0 H4' DC C 6 -13.331 -2.172 -2.174 1.00 0.00 H new ATOM 0 H3' DC C 6 -15.085 -1.365 0.249 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.411 -2.696 1.537 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.795 -3.448 0.079 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.695 -3.478 0.146 1.00 0.00 H new ATOM 0 H1' DC C 6 -11.179 -1.764 0.256 1.00 0.00 H new ATOM 0 H41 DC C 6 -12.018 3.006 4.604 1.00 0.00 H new ATOM 0 H42 DC C 6 -11.121 1.746 5.457 1.00 0.00 H new ATOM 0 H5 DC C 6 -12.913 2.702 2.392 1.00 0.00 H new ATOM 0 H6 DC C 6 -13.134 1.143 0.506 1.00 0.00 H new TER 290 DC C 6 ATOM 291 O5' DG D 1 -6.445 -3.645 14.264 1.00 0.00 O ATOM 292 C5' DG D 1 -7.433 -3.220 13.320 1.00 0.00 C ATOM 293 C4' DG D 1 -7.896 -4.359 12.405 1.00 0.00 C ATOM 294 O4' DG D 1 -8.908 -3.915 11.469 1.00 0.00 O ATOM 295 C3' DG D 1 -6.799 -4.950 11.549 1.00 0.00 C ATOM 296 O3' DG D 1 -7.157 -6.282 11.138 1.00 0.00 O ATOM 297 C2' DG D 1 -6.816 -3.915 10.454 1.00 0.00 C ATOM 298 C1' DG D 1 -8.313 -3.785 10.155 1.00 0.00 C ATOM 299 N9 DG D 1 -8.658 -2.487 9.538 1.00 0.00 N ATOM 300 C8 DG D 1 -8.646 -1.242 10.093 1.00 0.00 C ATOM 301 N7 DG D 1 -9.011 -0.265 9.325 1.00 0.00 N ATOM 302 C5 DG D 1 -9.300 -0.919 8.129 1.00 0.00 C ATOM 303 C6 DG D 1 -9.804 -0.391 6.919 1.00 0.00 C ATOM 304 O6 DG D 1 -10.056 0.776 6.637 1.00 0.00 O ATOM 305 N1 DG D 1 -10.021 -1.377 5.975 1.00 0.00 N ATOM 306 C2 DG D 1 -9.783 -2.722 6.160 1.00 0.00 C ATOM 307 N2 DG D 1 -10.051 -3.517 5.120 1.00 0.00 N ATOM 308 N3 DG D 1 -9.305 -3.231 7.304 1.00 0.00 N ATOM 309 C4 DG D 1 -9.087 -2.274 8.243 1.00 0.00 C ATOM 0 H5' DG D 1 -7.027 -2.412 12.712 1.00 0.00 H new ATOM 0 H5'' DG D 1 -8.292 -2.815 13.855 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.270 -5.107 13.104 1.00 0.00 H new ATOM 0 H3' DG D 1 -5.816 -5.102 11.994 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.382 -2.970 10.780 1.00 0.00 H new ATOM 0 H2'' DG D 1 -6.253 -4.239 9.579 1.00 0.00 H new ATOM 0 HO5' DG D 1 -6.179 -2.886 14.824 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.663 -4.525 9.435 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.348 -1.079 11.118 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.387 -1.086 5.068 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.896 -4.522 5.193 1.00 0.00 H new ATOM 0 H22 DG D 1 -10.410 -3.118 4.253 1.00 0.00 H new ATOM 322 P DA D 2 -6.531 -7.056 9.865 1.00 0.00 P ATOM 323 OP1 DA D 2 -6.850 -8.495 10.004 1.00 0.00 O ATOM 324 OP2 DA D 2 -5.125 -6.627 9.696 1.00 0.00 O ATOM 325 O5' DA D 2 -7.399 -6.454 8.639 1.00 0.00 O ATOM 326 C5' DA D 2 -7.596 -7.168 7.409 1.00 0.00 C ATOM 327 C4' DA D 2 -6.729 -6.645 6.258 1.00 0.00 C ATOM 328 O4' DA D 2 -7.042 -5.271 5.911 1.00 0.00 O ATOM 329 C3' DA D 2 -5.216 -6.697 6.567 1.00 0.00 C ATOM 330 O3' DA D 2 -4.447 -7.133 5.437 1.00 0.00 O ATOM 331 C2' DA D 2 -4.970 -5.237 6.866 1.00 0.00 C ATOM 332 C1' DA D 2 -5.812 -4.535 5.821 1.00 0.00 C ATOM 333 N9 DA D 2 -5.955 -3.071 6.001 1.00 0.00 N ATOM 334 C8 DA D 2 -5.418 -2.244 6.944 1.00 0.00 C ATOM 335 N7 DA D 2 -5.697 -0.980 6.830 1.00 0.00 N ATOM 336 C5 DA D 2 -6.505 -0.957 5.694 1.00 0.00 C ATOM 337 C6 DA D 2 -7.221 0.072 5.064 1.00 0.00 C ATOM 338 N6 DA D 2 -7.163 1.353 5.429 1.00 0.00 N ATOM 339 N1 DA D 2 -7.999 -0.269 4.030 1.00 0.00 N ATOM 340 C2 DA D 2 -8.071 -1.531 3.639 1.00 0.00 C ATOM 341 N3 DA D 2 -7.449 -2.584 4.143 1.00 0.00 N ATOM 342 C4 DA D 2 -6.669 -2.222 5.186 1.00 0.00 C ATOM 0 H5' DA D 2 -8.646 -7.102 7.123 1.00 0.00 H new ATOM 0 H5'' DA D 2 -7.375 -8.223 7.570 1.00 0.00 H new ATOM 0 H4' DA D 2 -6.960 -7.312 5.428 1.00 0.00 H new ATOM 0 H3' DA D 2 -4.936 -7.394 7.357 1.00 0.00 H new ATOM 0 H2' DA D 2 -5.278 -4.974 7.878 1.00 0.00 H new ATOM 0 H2'' DA D 2 -3.915 -4.978 6.777 1.00 0.00 H new ATOM 0 H1' DA D 2 -5.361 -4.549 4.829 1.00 0.00 H new ATOM 0 H8 DA D 2 -4.795 -2.620 7.742 1.00 0.00 H new ATOM 0 H61 DA D 2 -7.711 2.052 4.927 1.00 0.00 H new ATOM 0 H62 DA D 2 -6.571 1.634 6.211 1.00 0.00 H new ATOM 0 H2 DA D 2 -8.722 -1.727 2.800 1.00 0.00 H new ATOM 354 P DT D 3 -2.892 -7.561 5.564 1.00 0.00 P ATOM 355 OP1 DT D 3 -2.405 -7.911 4.210 1.00 0.00 O ATOM 356 OP2 DT D 3 -2.773 -8.548 6.660 1.00 0.00 O ATOM 357 O5' DT D 3 -2.156 -6.197 6.037 1.00 0.00 O ATOM 358 C5' DT D 3 -1.997 -5.055 5.184 1.00 0.00 C ATOM 359 C4' DT D 3 -0.972 -5.281 4.086 1.00 0.00 C ATOM 360 O4' DT D 3 -0.920 -4.190 3.164 1.00 0.00 O ATOM 361 C3' DT D 3 0.411 -5.548 4.649 1.00 0.00 C ATOM 362 O3' DT D 3 0.644 -6.955 4.447 1.00 0.00 O ATOM 363 C2' DT D 3 1.322 -4.644 3.807 1.00 0.00 C ATOM 364 C1' DT D 3 0.374 -3.582 3.168 1.00 0.00 C ATOM 365 N1 DT D 3 0.281 -2.181 3.677 1.00 0.00 N ATOM 366 C2 DT D 3 -0.374 -1.294 2.818 1.00 0.00 C ATOM 367 O2 DT D 3 -0.829 -1.630 1.726 1.00 0.00 O ATOM 368 N3 DT D 3 -0.491 0.008 3.240 1.00 0.00 N ATOM 369 C4 DT D 3 -0.019 0.507 4.436 1.00 0.00 C ATOM 370 O4 DT D 3 -0.186 1.694 4.696 1.00 0.00 O ATOM 371 C5 DT D 3 0.653 -0.455 5.290 1.00 0.00 C ATOM 372 C7 DT D 3 1.201 0.079 6.642 1.00 0.00 C ATOM 373 C6 DT D 3 0.783 -1.762 4.892 1.00 0.00 C ATOM 0 H5' DT D 3 -1.696 -4.197 5.785 1.00 0.00 H new ATOM 0 H5'' DT D 3 -2.958 -4.807 4.733 1.00 0.00 H new ATOM 0 H4' DT D 3 -1.301 -6.168 3.545 1.00 0.00 H new ATOM 0 H3' DT D 3 0.567 -5.337 5.707 1.00 0.00 H new ATOM 0 H2' DT D 3 2.084 -4.169 4.425 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.844 -5.217 3.040 1.00 0.00 H new ATOM 0 H1' DT D 3 0.837 -3.366 2.205 1.00 0.00 H new ATOM 0 H3 DT D 3 -0.967 0.660 2.617 1.00 0.00 H new ATOM 0 H71 DT D 3 1.473 1.129 6.535 1.00 0.00 H new ATOM 0 H72 DT D 3 0.434 -0.021 7.410 1.00 0.00 H new ATOM 0 H73 DT D 3 2.081 -0.496 6.931 1.00 0.00 H new ATOM 0 H6 DT D 3 1.283 -2.470 5.536 1.00 0.00 H new ATOM 386 P DA D 4 2.071 -7.673 4.635 1.00 0.00 P ATOM 387 OP1 DA D 4 1.874 -9.140 4.629 1.00 0.00 O ATOM 388 OP2 DA D 4 2.783 -7.022 5.759 1.00 0.00 O ATOM 389 O5' DA D 4 2.770 -7.244 3.251 1.00 0.00 O ATOM 390 C5' DA D 4 4.180 -7.084 3.125 1.00 0.00 C ATOM 391 C4' DA D 4 4.533 -6.318 1.863 1.00 0.00 C ATOM 392 O4' DA D 4 4.023 -4.977 1.993 1.00 0.00 O ATOM 393 C3' DA D 4 6.034 -6.214 1.649 1.00 0.00 C ATOM 394 O3' DA D 4 6.403 -6.273 0.261 1.00 0.00 O ATOM 395 C2' DA D 4 6.305 -4.858 2.242 1.00 0.00 C ATOM 396 C1' DA D 4 5.090 -4.045 1.805 1.00 0.00 C ATOM 397 N9 DA D 4 4.810 -2.825 2.595 1.00 0.00 N ATOM 398 C8 DA D 4 5.381 -2.343 3.746 1.00 0.00 C ATOM 399 N7 DA D 4 4.910 -1.220 4.188 1.00 0.00 N ATOM 400 C5 DA D 4 3.928 -0.920 3.250 1.00 0.00 C ATOM 401 C6 DA D 4 3.057 0.161 3.132 1.00 0.00 C ATOM 402 N6 DA D 4 3.053 1.149 4.024 1.00 0.00 N ATOM 403 N1 DA D 4 2.220 0.173 2.082 1.00 0.00 N ATOM 404 C2 DA D 4 2.252 -0.831 1.212 1.00 0.00 C ATOM 405 N3 DA D 4 3.025 -1.907 1.209 1.00 0.00 N ATOM 406 C4 DA D 4 3.857 -1.885 2.279 1.00 0.00 C ATOM 0 H5' DA D 4 4.660 -8.063 3.106 1.00 0.00 H new ATOM 0 H5'' DA D 4 4.568 -6.555 3.996 1.00 0.00 H new ATOM 0 H4' DA D 4 4.099 -6.853 1.018 1.00 0.00 H new ATOM 0 H3' DA D 4 6.602 -7.031 2.093 1.00 0.00 H new ATOM 0 H2' DA D 4 6.392 -4.902 3.328 1.00 0.00 H new ATOM 0 H2'' DA D 4 7.234 -4.431 1.865 1.00 0.00 H new ATOM 0 H1' DA D 4 5.238 -3.662 0.795 1.00 0.00 H new ATOM 0 H8 DA D 4 6.176 -2.869 4.253 1.00 0.00 H new ATOM 0 H61 DA D 4 2.406 1.930 3.917 1.00 0.00 H new ATOM 0 H62 DA D 4 3.697 1.125 4.815 1.00 0.00 H new ATOM 0 H2 DA D 4 1.551 -0.760 0.394 1.00 0.00 H new ATOM 418 P DT D 5 7.725 -7.082 -0.210 1.00 0.00 P ATOM 419 OP1 DT D 5 7.956 -8.184 0.750 1.00 0.00 O ATOM 420 OP2 DT D 5 8.814 -6.120 -0.474 1.00 0.00 O ATOM 421 O5' DT D 5 7.294 -7.758 -1.608 1.00 0.00 O ATOM 422 C5' DT D 5 6.757 -7.105 -2.769 1.00 0.00 C ATOM 423 C4' DT D 5 7.644 -6.030 -3.408 1.00 0.00 C ATOM 424 O4' DT D 5 7.756 -4.816 -2.640 1.00 0.00 O ATOM 425 C3' DT D 5 9.065 -6.493 -3.694 1.00 0.00 C ATOM 426 O3' DT D 5 9.142 -6.894 -5.069 1.00 0.00 O ATOM 427 C2' DT D 5 9.934 -5.229 -3.381 1.00 0.00 C ATOM 428 C1' DT D 5 8.933 -4.091 -3.052 1.00 0.00 C ATOM 429 N1 DT D 5 9.258 -3.114 -1.960 1.00 0.00 N ATOM 430 C2 DT D 5 9.074 -1.768 -2.256 1.00 0.00 C ATOM 431 O2 DT D 5 8.708 -1.365 -3.358 1.00 0.00 O ATOM 432 N3 DT D 5 9.329 -0.876 -1.239 1.00 0.00 N ATOM 433 C4 DT D 5 9.752 -1.188 0.035 1.00 0.00 C ATOM 434 O4 DT D 5 9.937 -0.280 0.840 1.00 0.00 O ATOM 435 C5 DT D 5 9.931 -2.602 0.290 1.00 0.00 C ATOM 436 C7 DT D 5 10.396 -3.003 1.725 1.00 0.00 C ATOM 437 C6 DT D 5 9.680 -3.509 -0.708 1.00 0.00 C ATOM 0 H5' DT D 5 5.806 -6.648 -2.496 1.00 0.00 H new ATOM 0 H5'' DT D 5 6.542 -7.864 -3.521 1.00 0.00 H new ATOM 0 H4' DT D 5 7.114 -5.831 -4.340 1.00 0.00 H new ATOM 0 H3' DT D 5 9.399 -7.349 -3.107 1.00 0.00 H new ATOM 0 H2' DT D 5 10.603 -5.414 -2.541 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.559 -4.964 -4.234 1.00 0.00 H new ATOM 0 H1' DT D 5 8.883 -3.449 -3.931 1.00 0.00 H new ATOM 0 H3 DT D 5 9.191 0.113 -1.449 1.00 0.00 H new ATOM 0 H71 DT D 5 10.004 -3.989 1.972 1.00 0.00 H new ATOM 0 H72 DT D 5 11.485 -3.026 1.761 1.00 0.00 H new ATOM 0 H73 DT D 5 10.024 -2.274 2.445 1.00 0.00 H new ATOM 0 H6 DT D 5 9.817 -4.561 -0.508 1.00 0.00 H new ATOM 450 P DC D 6 10.490 -7.429 -5.784 1.00 0.00 P ATOM 451 OP1 DC D 6 10.100 -8.222 -6.971 1.00 0.00 O ATOM 452 OP2 DC D 6 11.369 -8.027 -4.754 1.00 0.00 O ATOM 453 O5' DC D 6 11.160 -6.050 -6.284 1.00 0.00 O ATOM 454 C5' DC D 6 10.541 -5.270 -7.318 1.00 0.00 C ATOM 455 C4' DC D 6 10.924 -3.794 -7.241 1.00 0.00 C ATOM 456 O4' DC D 6 10.584 -3.209 -5.969 1.00 0.00 O ATOM 457 C3' DC D 6 12.414 -3.520 -7.412 1.00 0.00 C ATOM 458 O3' DC D 6 12.871 -3.684 -8.756 1.00 0.00 O ATOM 459 C2' DC D 6 12.398 -2.060 -6.969 1.00 0.00 C ATOM 460 C1' DC D 6 11.308 -1.968 -5.865 1.00 0.00 C ATOM 461 N1 DC D 6 11.715 -1.552 -4.482 1.00 0.00 N ATOM 462 C2 DC D 6 11.334 -0.273 -4.063 1.00 0.00 C ATOM 463 O2 DC D 6 10.699 0.491 -4.791 1.00 0.00 O ATOM 464 N3 DC D 6 11.675 0.131 -2.818 1.00 0.00 N ATOM 465 C4 DC D 6 12.363 -0.662 -1.992 1.00 0.00 C ATOM 466 N4 DC D 6 12.664 -0.212 -0.774 1.00 0.00 N ATOM 467 C5 DC D 6 12.770 -1.973 -2.388 1.00 0.00 C ATOM 468 C6 DC D 6 12.422 -2.377 -3.643 1.00 0.00 C ATOM 0 H5' DC D 6 9.458 -5.366 -7.243 1.00 0.00 H new ATOM 0 H5'' DC D 6 10.829 -5.667 -8.291 1.00 0.00 H new ATOM 0 H4' DC D 6 10.362 -3.357 -8.067 1.00 0.00 H new ATOM 0 H3' DC D 6 13.086 -4.186 -6.871 1.00 0.00 H new ATOM 0 H2' DC D 6 13.372 -1.757 -6.584 1.00 0.00 H new ATOM 0 H2'' DC D 6 12.166 -1.400 -7.805 1.00 0.00 H new ATOM 0 HO3' DC D 6 13.831 -3.493 -8.801 1.00 0.00 H new ATOM 0 H1' DC D 6 10.675 -1.101 -6.053 1.00 0.00 H new ATOM 0 H41 DC D 6 13.189 -0.802 -0.128 1.00 0.00 H new ATOM 0 H42 DC D 6 12.370 0.722 -0.488 1.00 0.00 H new ATOM 0 H5 DC D 6 13.328 -2.615 -1.723 1.00 0.00 H new ATOM 0 H6 DC D 6 12.707 -3.362 -3.982 1.00 0.00 H new TER 481 DC D 6 HETATM 482 N1 QUI A 0 -4.620 -0.176 2.087 1.00 0.00 N HETATM 483 C2 QUI A 0 -5.097 1.027 1.720 1.00 0.00 C HETATM 484 C3 QUI A 0 -4.946 2.134 2.565 1.00 0.00 C HETATM 485 N4 QUI A 0 -4.329 2.032 3.752 1.00 0.00 N HETATM 486 C5 QUI A 0 -3.210 0.721 5.342 1.00 0.00 C HETATM 487 C6 QUI A 0 -2.705 -0.510 5.746 1.00 0.00 C HETATM 488 C7 QUI A 0 -2.842 -1.644 4.924 1.00 0.00 C HETATM 489 C8 QUI A 0 -3.495 -1.513 3.687 1.00 0.00 C HETATM 490 C9 QUI A 0 -4.000 -0.279 3.279 1.00 0.00 C HETATM 491 C10 QUI A 0 -3.854 0.828 4.111 1.00 0.00 C HETATM 492 C QUI A 0 -5.778 1.150 0.409 1.00 0.00 C HETATM 493 O1 QUI A 0 -6.633 2.036 0.253 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.608 -2.383 3.041 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.448 -2.609 5.242 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.199 -0.597 6.707 1.00 0.00 H new HETATM 0 H5 QUI A 0 -3.103 1.596 5.983 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.339 3.101 2.251 1.00 0.00 H new HETATM 499 N1 QUI A 9 4.883 1.232 -0.988 1.00 0.00 N HETATM 500 C2 QUI A 9 5.411 0.282 -0.194 1.00 0.00 C HETATM 501 C3 QUI A 9 5.680 0.548 1.151 1.00 0.00 C HETATM 502 N4 QUI A 9 5.425 1.749 1.690 1.00 0.00 N HETATM 503 C5 QUI A 9 4.642 3.939 1.455 1.00 0.00 C HETATM 504 C6 QUI A 9 4.108 4.946 0.663 1.00 0.00 C HETATM 505 C7 QUI A 9 3.825 4.716 -0.697 1.00 0.00 C HETATM 506 C8 QUI A 9 4.090 3.449 -1.246 1.00 0.00 C HETATM 507 C9 QUI A 9 4.629 2.438 -0.448 1.00 0.00 C HETATM 508 C10 QUI A 9 4.900 2.693 0.894 1.00 0.00 C HETATM 509 C QUI A 9 5.705 -1.039 -0.787 1.00 0.00 C HETATM 510 O1 QUI A 9 6.770 -1.603 -0.497 1.00 0.00 O HETATM 0 H8 QUI A 9 3.874 3.256 -2.297 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.406 5.509 -1.316 1.00 0.00 H new HETATM 0 H6 QUI A 9 3.906 5.925 1.098 1.00 0.00 H new HETATM 0 H5 QUI A 9 4.857 4.123 2.508 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.106 -0.237 1.775 1.00 0.00 H new