USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 200 hydrogens (52 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 4 MVA H : A 4 MVA N : A 3 NCY 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 5 DSN H : 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 NoAdj-H: A 8 MVA H : A 8 MVA N : A 7 NCY C :(H bumps) USER MOD Single : C 11 DG O5' : rot 180:sc= 0 USER MOD Single : C 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 16 DC O3' : rot 180:sc= 0 USER MOD Single : D 17 DG O5' : rot 180:sc= 0 USER MOD Single : D 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 22 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N DSN A 1 4.054 3.045 1.642 1.00 0.00 N HETATM 2 CA DSN A 1 3.697 4.019 2.754 1.00 0.00 C HETATM 3 C DSN A 1 2.204 4.119 3.154 1.00 0.00 C HETATM 4 O DSN A 1 1.896 4.474 4.274 1.00 0.00 O HETATM 5 CB DSN A 1 4.543 3.629 4.009 1.00 0.00 C HETATM 6 OG DSN A 1 4.259 2.263 4.266 1.00 0.00 O HETATM 0 HB3 DSN A 1 5.607 3.778 3.823 1.00 0.00 H new HETATM 0 HB2 DSN A 1 4.279 4.250 4.865 1.00 0.00 H new HETATM 0 HA DSN A 1 3.922 5.009 2.358 1.00 0.00 H new ATOM 11 N ALA A 2 1.308 3.817 2.254 1.00 0.00 N ATOM 12 CA ALA A 2 -0.156 3.897 2.596 1.00 0.00 C ATOM 13 C ALA A 2 -0.726 2.548 3.098 1.00 0.00 C ATOM 14 O ALA A 2 -0.158 1.520 2.776 1.00 0.00 O ATOM 15 CB ALA A 2 -0.890 4.363 1.340 1.00 0.00 C ATOM 0 H ALA A 2 1.516 3.519 1.301 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.296 4.599 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.958 4.434 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.513 5.341 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.724 3.647 0.535 1.00 0.00 H new HETATM 21 N NCY A 3 -1.821 2.640 3.841 1.00 0.00 N HETATM 22 CA NCY A 3 -2.468 1.379 4.400 1.00 0.00 C HETATM 23 CB NCY A 3 -2.223 1.493 5.944 1.00 0.00 C HETATM 24 SG NCY A 3 -2.743 0.180 7.078 1.00 0.00 S HETATM 25 CN NCY A 3 -2.874 3.734 3.866 1.00 0.00 C HETATM 26 C NCY A 3 -3.973 1.106 4.023 1.00 0.00 C HETATM 27 O NCY A 3 -4.870 1.109 4.854 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -3.724 3.435 3.252 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -3.206 3.896 4.891 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.449 4.657 3.472 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -1.151 1.630 6.087 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.709 2.411 6.276 1.00 0.00 H new HETATM 0 HA NCY A 3 -2.015 0.500 3.942 1.00 0.00 H new HETATM 34 N MVA A 4 -4.219 0.886 2.738 1.00 0.00 N HETATM 35 CN MVA A 4 -3.201 0.461 1.703 1.00 0.00 C HETATM 36 CA MVA A 4 -5.637 0.607 2.283 1.00 0.00 C HETATM 37 CB MVA A 4 -6.154 1.818 1.367 1.00 0.00 C HETATM 38 CG1 MVA A 4 -6.582 2.980 2.268 1.00 0.00 C HETATM 39 CG2 MVA A 4 -5.083 2.416 0.445 1.00 0.00 C HETATM 40 C MVA A 4 -5.753 -0.750 1.535 1.00 0.00 C HETATM 41 O MVA A 4 -6.225 -0.887 0.420 1.00 0.00 O HETATM 0 HG23 MVA A 4 -4.259 2.801 1.046 1.00 0.00 H new HETATM 0 HG22 MVA A 4 -4.711 1.644 -0.229 1.00 0.00 H new HETATM 0 HG21 MVA A 4 -5.517 3.228 -0.138 1.00 0.00 H new HETATM 0 HG13 MVA A 4 -7.384 2.652 2.929 1.00 0.00 H new HETATM 0 HG12 MVA A 4 -5.732 3.309 2.865 1.00 0.00 H new HETATM 0 HG11 MVA A 4 -6.935 3.807 1.652 1.00 0.00 H new HETATM 0 HN3 MVA A 4 -3.296 -0.609 1.518 1.00 0.00 H new HETATM 0 HN2 MVA A 4 -3.375 1.007 0.776 1.00 0.00 H new HETATM 0 HN1 MVA A 4 -2.198 0.679 2.069 1.00 0.00 H new HETATM 0 HB MVA A 4 -6.955 1.392 0.763 1.00 0.00 H new HETATM 0 HA MVA A 4 -6.270 0.530 3.167 1.00 0.00 H new HETATM 53 N DSN A 5 -4.223 -2.922 0.055 1.00 0.00 N HETATM 54 CA DSN A 5 -4.385 -3.783 1.297 1.00 0.00 C HETATM 55 C DSN A 5 -3.149 -4.008 2.202 1.00 0.00 C HETATM 56 O DSN A 5 -3.249 -4.631 3.238 1.00 0.00 O HETATM 57 CB DSN A 5 -5.542 -3.161 2.141 1.00 0.00 C HETATM 58 OG DSN A 5 -5.268 -1.780 2.226 1.00 0.00 O HETATM 0 HB3 DSN A 5 -6.508 -3.338 1.668 1.00 0.00 H new HETATM 0 HB2 DSN A 5 -5.586 -3.611 3.133 1.00 0.00 H new HETATM 0 HA DSN A 5 -4.586 -4.786 0.920 1.00 0.00 H new ATOM 63 N ALA A 6 -2.023 -3.507 1.785 1.00 0.00 N ATOM 64 CA ALA A 6 -0.749 -3.652 2.570 1.00 0.00 C ATOM 65 C ALA A 6 -0.411 -2.331 3.301 1.00 0.00 C ATOM 66 O ALA A 6 -0.816 -1.293 2.809 1.00 0.00 O ATOM 67 CB ALA A 6 0.338 -4.022 1.581 1.00 0.00 C ATOM 0 H ALA A 6 -1.921 -2.989 0.912 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.845 -4.422 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.285 -4.138 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.079 -4.960 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.433 -3.235 0.833 1.00 0.00 H new HETATM 73 N NCY A 7 0.329 -2.431 4.396 1.00 0.00 N HETATM 74 CA NCY A 7 0.682 -1.169 5.174 1.00 0.00 C HETATM 75 CB NCY A 7 -0.149 -1.316 6.493 1.00 0.00 C HETATM 76 SG NCY A 7 -1.940 -1.497 6.292 1.00 0.00 S HETATM 77 CN NCY A 7 1.398 -3.458 4.701 1.00 0.00 C HETATM 78 C NCY A 7 2.189 -0.770 5.456 1.00 0.00 C HETATM 79 O NCY A 7 2.611 -0.667 6.600 1.00 0.00 O HETATM 0 HCN3 NCY A 7 2.370 -3.075 4.390 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 1.414 -3.660 5.772 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 1.181 -4.380 4.161 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.224 -2.183 7.038 1.00 0.00 H new HETATM 0 HB2 NCY A 7 0.039 -0.442 7.116 1.00 0.00 H new HETATM 0 HA NCY A 7 0.443 -0.323 4.530 1.00 0.00 H new HETATM 86 N MVA A 8 2.979 -0.555 4.414 1.00 0.00 N HETATM 87 CN MVA A 8 2.491 -0.177 3.043 1.00 0.00 C HETATM 88 CA MVA A 8 4.435 -0.159 4.620 1.00 0.00 C HETATM 89 CB MVA A 8 5.390 -1.360 4.189 1.00 0.00 C HETATM 90 CG1 MVA A 8 5.347 -2.474 5.242 1.00 0.00 C HETATM 91 CG2 MVA A 8 4.974 -2.003 2.869 1.00 0.00 C HETATM 92 C MVA A 8 4.859 1.145 3.851 1.00 0.00 C HETATM 93 O MVA A 8 5.663 1.164 2.935 1.00 0.00 O HETATM 0 HG23 MVA A 8 3.963 -2.399 2.960 1.00 0.00 H new HETATM 0 HG22 MVA A 8 5.001 -1.256 2.076 1.00 0.00 H new HETATM 0 HG21 MVA A 8 5.661 -2.814 2.627 1.00 0.00 H new HETATM 0 HG13 MVA A 8 5.680 -2.080 6.202 1.00 0.00 H new HETATM 0 HG12 MVA A 8 4.327 -2.846 5.337 1.00 0.00 H new HETATM 0 HG11 MVA A 8 6.003 -3.289 4.937 1.00 0.00 H new HETATM 0 HN3 MVA A 8 2.576 0.902 2.911 1.00 0.00 H new HETATM 0 HN2 MVA A 8 3.095 -0.683 2.290 1.00 0.00 H new HETATM 0 HN1 MVA A 8 1.448 -0.475 2.933 1.00 0.00 H new HETATM 0 HB MVA A 8 6.384 -0.924 4.087 1.00 0.00 H new HETATM 0 HA MVA A 8 4.539 0.060 5.683 1.00 0.00 H new TER 105 MVA A 8 ATOM 106 O5' DG C 11 -12.710 1.571 -11.945 1.00 0.00 O ATOM 107 C5' DG C 11 -13.491 2.438 -11.111 1.00 0.00 C ATOM 108 C4' DG C 11 -13.054 2.366 -9.647 1.00 0.00 C ATOM 109 O4' DG C 11 -13.183 1.032 -9.108 1.00 0.00 O ATOM 110 C3' DG C 11 -11.590 2.784 -9.427 1.00 0.00 C ATOM 111 O3' DG C 11 -11.534 4.011 -8.675 1.00 0.00 O ATOM 112 C2' DG C 11 -11.042 1.597 -8.665 1.00 0.00 C ATOM 113 C1' DG C 11 -12.251 0.981 -8.021 1.00 0.00 C ATOM 114 N9 DG C 11 -11.975 -0.389 -7.571 1.00 0.00 N ATOM 115 C8 DG C 11 -11.976 -1.555 -8.269 1.00 0.00 C ATOM 116 N7 DG C 11 -11.693 -2.629 -7.592 1.00 0.00 N ATOM 117 C5 DG C 11 -11.483 -2.116 -6.306 1.00 0.00 C ATOM 118 C6 DG C 11 -11.111 -2.773 -5.095 1.00 0.00 C ATOM 119 O6 DG C 11 -10.911 -3.964 -4.878 1.00 0.00 O ATOM 120 N1 DG C 11 -10.977 -1.881 -4.060 1.00 0.00 N ATOM 121 C2 DG C 11 -11.170 -0.533 -4.152 1.00 0.00 C ATOM 122 N2 DG C 11 -10.987 0.164 -3.058 1.00 0.00 N ATOM 123 N3 DG C 11 -11.516 0.101 -5.262 1.00 0.00 N ATOM 124 C4 DG C 11 -11.655 -0.753 -6.296 1.00 0.00 C ATOM 0 H5' DG C 11 -14.544 2.166 -11.190 1.00 0.00 H new ATOM 0 H5'' DG C 11 -13.399 3.464 -11.467 1.00 0.00 H new ATOM 0 H4' DG C 11 -13.719 3.064 -9.138 1.00 0.00 H new ATOM 0 H3' DG C 11 -11.024 2.994 -10.334 1.00 0.00 H new ATOM 0 H2' DG C 11 -10.543 0.893 -9.331 1.00 0.00 H new ATOM 0 H2'' DG C 11 -10.308 1.906 -7.920 1.00 0.00 H new ATOM 0 HO5' DG C 11 -13.019 1.643 -12.872 1.00 0.00 H new ATOM 0 H1' DG C 11 -12.602 1.481 -7.118 1.00 0.00 H new ATOM 0 H8 DG C 11 -12.199 -1.588 -9.325 1.00 0.00 H new ATOM 0 H1 DG C 11 -10.712 -2.256 -3.149 1.00 0.00 H new ATOM 0 H21 DG C 11 -11.118 1.176 -3.070 1.00 0.00 H new ATOM 0 H22 DG C 11 -10.714 -0.305 -2.194 1.00 0.00 H new ATOM 137 P DA C 12 -10.202 4.590 -7.960 1.00 0.00 P ATOM 138 OP1 DA C 12 -10.415 6.030 -7.690 1.00 0.00 O ATOM 139 OP2 DA C 12 -9.020 4.155 -8.739 1.00 0.00 O ATOM 140 O5' DA C 12 -10.191 3.793 -6.550 1.00 0.00 O ATOM 141 C5' DA C 12 -11.089 4.080 -5.452 1.00 0.00 C ATOM 142 C4' DA C 12 -10.414 3.909 -4.079 1.00 0.00 C ATOM 143 O4' DA C 12 -10.028 2.543 -3.834 1.00 0.00 O ATOM 144 C3' DA C 12 -9.141 4.759 -3.964 1.00 0.00 C ATOM 145 O3' DA C 12 -8.840 5.162 -2.615 1.00 0.00 O ATOM 146 C2' DA C 12 -8.128 3.744 -4.436 1.00 0.00 C ATOM 147 C1' DA C 12 -8.596 2.471 -3.754 1.00 0.00 C ATOM 148 N9 DA C 12 -8.142 1.228 -4.404 1.00 0.00 N ATOM 149 C8 DA C 12 -7.901 0.954 -5.717 1.00 0.00 C ATOM 150 N7 DA C 12 -7.520 -0.262 -5.990 1.00 0.00 N ATOM 151 C5 DA C 12 -7.511 -0.852 -4.722 1.00 0.00 C ATOM 152 C6 DA C 12 -7.262 -2.161 -4.279 1.00 0.00 C ATOM 153 N6 DA C 12 -6.889 -3.159 -5.068 1.00 0.00 N ATOM 154 N1 DA C 12 -7.409 -2.414 -2.975 1.00 0.00 N ATOM 155 C2 DA C 12 -7.781 -1.440 -2.153 1.00 0.00 C ATOM 156 N3 DA C 12 -8.045 -0.177 -2.441 1.00 0.00 N ATOM 157 C4 DA C 12 -7.887 0.051 -3.762 1.00 0.00 C ATOM 0 H5' DA C 12 -11.954 3.420 -5.513 1.00 0.00 H new ATOM 0 H5'' DA C 12 -11.459 5.101 -5.547 1.00 0.00 H new ATOM 0 H4' DA C 12 -11.158 4.229 -3.349 1.00 0.00 H new ATOM 0 H3' DA C 12 -9.192 5.701 -4.511 1.00 0.00 H new ATOM 0 H2' DA C 12 -8.127 3.646 -5.522 1.00 0.00 H new ATOM 0 H2'' DA C 12 -7.114 4.014 -4.140 1.00 0.00 H new ATOM 0 H1' DA C 12 -8.189 2.422 -2.744 1.00 0.00 H new ATOM 0 H8 DA C 12 -8.019 1.702 -6.487 1.00 0.00 H new ATOM 0 H61 DA C 12 -6.726 -4.086 -4.675 1.00 0.00 H new ATOM 0 H62 DA C 12 -6.766 -3.000 -6.068 1.00 0.00 H new ATOM 0 H2 DA C 12 -7.881 -1.715 -1.113 1.00 0.00 H new ATOM 169 P DC C 13 -7.891 6.434 -2.293 1.00 0.00 P ATOM 170 OP1 DC C 13 -7.465 6.356 -0.878 1.00 0.00 O ATOM 171 OP2 DC C 13 -8.570 7.653 -2.791 1.00 0.00 O ATOM 172 O5' DC C 13 -6.611 6.139 -3.245 1.00 0.00 O ATOM 173 C5' DC C 13 -5.324 6.782 -3.158 1.00 0.00 C ATOM 174 C4' DC C 13 -4.509 6.302 -1.953 1.00 0.00 C ATOM 175 O4' DC C 13 -4.318 4.875 -1.988 1.00 0.00 O ATOM 176 C3' DC C 13 -3.109 6.914 -1.930 1.00 0.00 C ATOM 177 O3' DC C 13 -3.094 8.219 -1.333 1.00 0.00 O ATOM 178 C2' DC C 13 -2.453 5.907 -1.023 1.00 0.00 C ATOM 179 C1' DC C 13 -3.042 4.557 -1.409 1.00 0.00 C ATOM 180 N1 DC C 13 -2.234 3.760 -2.362 1.00 0.00 N ATOM 181 C2 DC C 13 -1.739 2.525 -1.953 1.00 0.00 C ATOM 182 O2 DC C 13 -1.923 2.084 -0.824 1.00 0.00 O ATOM 183 N3 DC C 13 -1.025 1.786 -2.832 1.00 0.00 N ATOM 184 C4 DC C 13 -0.802 2.233 -4.061 1.00 0.00 C ATOM 185 N4 DC C 13 -0.112 1.453 -4.870 1.00 0.00 N ATOM 186 C5 DC C 13 -1.292 3.496 -4.511 1.00 0.00 C ATOM 187 C6 DC C 13 -2.001 4.222 -3.627 1.00 0.00 C ATOM 0 H5' DC C 13 -5.464 7.861 -3.091 1.00 0.00 H new ATOM 0 H5'' DC C 13 -4.763 6.589 -4.072 1.00 0.00 H new ATOM 0 H4' DC C 13 -5.079 6.607 -1.075 1.00 0.00 H new ATOM 0 H3' DC C 13 -2.651 7.070 -2.907 1.00 0.00 H new ATOM 0 H2' DC C 13 -1.370 5.912 -1.151 1.00 0.00 H new ATOM 0 H2'' DC C 13 -2.652 6.136 0.024 1.00 0.00 H new ATOM 0 H1' DC C 13 -3.091 3.921 -0.525 1.00 0.00 H new ATOM 0 H41 DC C 13 0.084 1.754 -5.824 1.00 0.00 H new ATOM 0 H42 DC C 13 0.225 0.548 -4.541 1.00 0.00 H new ATOM 0 H5 DC C 13 -1.103 3.852 -5.513 1.00 0.00 H new ATOM 0 H6 DC C 13 -2.392 5.185 -3.922 1.00 0.00 H new ATOM 199 P DG C 14 -2.007 9.365 -1.697 1.00 0.00 P ATOM 200 OP1 DG C 14 -2.307 10.557 -0.871 1.00 0.00 O ATOM 201 OP2 DG C 14 -1.951 9.490 -3.172 1.00 0.00 O ATOM 202 O5' DG C 14 -0.598 8.740 -1.192 1.00 0.00 O ATOM 203 C5' DG C 14 -0.387 8.300 0.163 1.00 0.00 C ATOM 204 C4' DG C 14 0.778 7.314 0.308 1.00 0.00 C ATOM 205 O4' DG C 14 0.634 6.189 -0.589 1.00 0.00 O ATOM 206 C3' DG C 14 2.172 7.899 0.027 1.00 0.00 C ATOM 207 O3' DG C 14 2.943 8.036 1.231 1.00 0.00 O ATOM 208 C2' DG C 14 2.777 6.832 -0.858 1.00 0.00 C ATOM 209 C1' DG C 14 1.928 5.597 -0.628 1.00 0.00 C ATOM 210 N9 DG C 14 2.046 4.583 -1.695 1.00 0.00 N ATOM 211 C8 DG C 14 2.271 4.759 -3.028 1.00 0.00 C ATOM 212 N7 DG C 14 2.353 3.681 -3.746 1.00 0.00 N ATOM 213 C5 DG C 14 2.162 2.678 -2.793 1.00 0.00 C ATOM 214 C6 DG C 14 2.197 1.264 -2.937 1.00 0.00 C ATOM 215 O6 DG C 14 2.351 0.589 -3.946 1.00 0.00 O ATOM 216 N1 DG C 14 2.026 0.625 -1.740 1.00 0.00 N ATOM 217 C2 DG C 14 1.838 1.244 -0.542 1.00 0.00 C ATOM 218 N2 DG C 14 1.666 0.465 0.496 1.00 0.00 N ATOM 219 N3 DG C 14 1.802 2.564 -0.371 1.00 0.00 N ATOM 220 C4 DG C 14 1.972 3.221 -1.543 1.00 0.00 C ATOM 0 H5' DG C 14 -1.299 7.830 0.531 1.00 0.00 H new ATOM 0 H5'' DG C 14 -0.199 9.169 0.794 1.00 0.00 H new ATOM 0 H4' DG C 14 0.723 7.027 1.358 1.00 0.00 H new ATOM 0 H3' DG C 14 2.142 8.896 -0.412 1.00 0.00 H new ATOM 0 H2' DG C 14 2.759 7.133 -1.906 1.00 0.00 H new ATOM 0 H2'' DG C 14 3.819 6.648 -0.597 1.00 0.00 H new ATOM 0 H1' DG C 14 2.210 5.028 0.258 1.00 0.00 H new ATOM 0 H8 DG C 14 2.375 5.742 -3.463 1.00 0.00 H new ATOM 0 H1 DG C 14 2.040 -0.395 -1.745 1.00 0.00 H new ATOM 0 H21 DG C 14 1.521 0.871 1.420 1.00 0.00 H new ATOM 0 H22 DG C 14 1.677 -0.548 0.381 1.00 0.00 H new ATOM 232 P DT C 15 2.863 9.373 2.137 1.00 0.00 P ATOM 233 OP1 DT C 15 1.503 9.456 2.716 1.00 0.00 O ATOM 234 OP2 DT C 15 3.385 10.502 1.333 1.00 0.00 O ATOM 235 O5' DT C 15 3.916 9.092 3.335 1.00 0.00 O ATOM 236 C5' DT C 15 3.613 8.267 4.479 1.00 0.00 C ATOM 237 C4' DT C 15 4.798 7.394 4.911 1.00 0.00 C ATOM 238 O4' DT C 15 5.170 6.494 3.852 1.00 0.00 O ATOM 239 C3' DT C 15 6.048 8.177 5.345 1.00 0.00 C ATOM 240 O3' DT C 15 6.736 7.600 6.470 1.00 0.00 O ATOM 241 C2' DT C 15 6.898 8.022 4.121 1.00 0.00 C ATOM 242 C1' DT C 15 6.575 6.611 3.640 1.00 0.00 C ATOM 243 N1 DT C 15 6.833 6.408 2.200 1.00 0.00 N ATOM 244 C2 DT C 15 7.502 5.267 1.817 1.00 0.00 C ATOM 245 O2 DT C 15 7.879 4.400 2.597 1.00 0.00 O ATOM 246 N3 DT C 15 7.739 5.122 0.484 1.00 0.00 N ATOM 247 C4 DT C 15 7.376 5.993 -0.508 1.00 0.00 C ATOM 248 O4 DT C 15 7.665 5.726 -1.669 1.00 0.00 O ATOM 249 C5 DT C 15 6.673 7.169 -0.042 1.00 0.00 C ATOM 250 C7 DT C 15 6.208 8.237 -1.046 1.00 0.00 C ATOM 251 C6 DT C 15 6.428 7.332 1.275 1.00 0.00 C ATOM 0 H5' DT C 15 2.762 7.627 4.245 1.00 0.00 H new ATOM 0 H5'' DT C 15 3.314 8.904 5.312 1.00 0.00 H new ATOM 0 H4' DT C 15 4.441 6.854 5.788 1.00 0.00 H new ATOM 0 H3' DT C 15 5.815 9.193 5.663 1.00 0.00 H new ATOM 0 H2' DT C 15 6.654 8.769 3.366 1.00 0.00 H new ATOM 0 H2'' DT C 15 7.957 8.135 4.351 1.00 0.00 H new ATOM 0 H1' DT C 15 7.193 5.884 4.167 1.00 0.00 H new ATOM 0 H3 DT C 15 8.237 4.280 0.196 1.00 0.00 H new ATOM 0 H71 DT C 15 5.307 8.721 -0.671 1.00 0.00 H new ATOM 0 H72 DT C 15 6.993 8.982 -1.175 1.00 0.00 H new ATOM 0 H73 DT C 15 5.994 7.766 -2.005 1.00 0.00 H new ATOM 0 H6 DT C 15 5.899 8.213 1.607 1.00 0.00 H new ATOM 264 P DC C 16 7.648 8.488 7.473 1.00 0.00 P ATOM 265 OP1 DC C 16 8.346 7.568 8.400 1.00 0.00 O ATOM 266 OP2 DC C 16 6.796 9.565 8.026 1.00 0.00 O ATOM 267 O5' DC C 16 8.750 9.183 6.494 1.00 0.00 O ATOM 268 C5' DC C 16 10.087 8.735 6.184 1.00 0.00 C ATOM 269 C4' DC C 16 10.267 7.215 6.098 1.00 0.00 C ATOM 270 O4' DC C 16 9.384 6.594 5.144 1.00 0.00 O ATOM 271 C3' DC C 16 11.683 6.831 5.656 1.00 0.00 C ATOM 272 O3' DC C 16 12.701 6.942 6.655 1.00 0.00 O ATOM 273 C2' DC C 16 11.406 5.417 5.239 1.00 0.00 C ATOM 274 C1' DC C 16 10.107 5.553 4.460 1.00 0.00 C ATOM 275 N1 DC C 16 10.320 5.883 3.032 1.00 0.00 N ATOM 276 C2 DC C 16 10.713 4.863 2.178 1.00 0.00 C ATOM 277 O2 DC C 16 10.903 3.712 2.567 1.00 0.00 O ATOM 278 N3 DC C 16 10.892 5.150 0.869 1.00 0.00 N ATOM 279 C4 DC C 16 10.697 6.383 0.407 1.00 0.00 C ATOM 280 N4 DC C 16 10.883 6.595 -0.885 1.00 0.00 N ATOM 281 C5 DC C 16 10.296 7.450 1.263 1.00 0.00 C ATOM 282 C6 DC C 16 10.119 7.153 2.565 1.00 0.00 C ATOM 0 H5' DC C 16 10.767 9.122 6.943 1.00 0.00 H new ATOM 0 H5'' DC C 16 10.388 9.174 5.233 1.00 0.00 H new ATOM 0 H4' DC C 16 10.048 6.866 7.107 1.00 0.00 H new ATOM 0 H3' DC C 16 12.108 7.488 4.898 1.00 0.00 H new ATOM 0 H2' DC C 16 12.208 5.011 4.623 1.00 0.00 H new ATOM 0 H2'' DC C 16 11.297 4.754 6.098 1.00 0.00 H new ATOM 0 HO3' DC C 16 13.563 6.674 6.275 1.00 0.00 H new ATOM 0 H1' DC C 16 9.561 4.610 4.435 1.00 0.00 H new ATOM 0 H41 DC C 16 10.743 7.527 -1.274 1.00 0.00 H new ATOM 0 H42 DC C 16 11.167 5.826 -1.492 1.00 0.00 H new ATOM 0 H5 DC C 16 10.141 8.450 0.885 1.00 0.00 H new ATOM 0 H6 DC C 16 9.814 7.930 3.251 1.00 0.00 H new TER 295 DC C 16 ATOM 296 O5' DG D 17 15.426 -4.636 -5.323 1.00 0.00 O ATOM 297 C5' DG D 17 15.309 -3.212 -5.184 1.00 0.00 C ATOM 298 C4' DG D 17 14.799 -2.830 -3.793 1.00 0.00 C ATOM 299 O4' DG D 17 14.600 -1.414 -3.688 1.00 0.00 O ATOM 300 C3' DG D 17 13.421 -3.434 -3.527 1.00 0.00 C ATOM 301 O3' DG D 17 13.517 -4.720 -2.898 1.00 0.00 O ATOM 302 C2' DG D 17 12.762 -2.375 -2.655 1.00 0.00 C ATOM 303 C1' DG D 17 13.764 -1.232 -2.538 1.00 0.00 C ATOM 304 N9 DG D 17 13.085 0.070 -2.663 1.00 0.00 N ATOM 305 C8 DG D 17 12.873 0.813 -3.783 1.00 0.00 C ATOM 306 N7 DG D 17 12.243 1.935 -3.624 1.00 0.00 N ATOM 307 C5 DG D 17 12.009 1.944 -2.248 1.00 0.00 C ATOM 308 C6 DG D 17 11.368 2.916 -1.434 1.00 0.00 C ATOM 309 O6 DG D 17 10.852 3.985 -1.746 1.00 0.00 O ATOM 310 N1 DG D 17 11.364 2.541 -0.115 1.00 0.00 N ATOM 311 C2 DG D 17 11.900 1.387 0.377 1.00 0.00 C ATOM 312 N2 DG D 17 11.804 1.194 1.672 1.00 0.00 N ATOM 313 N3 DG D 17 12.503 0.463 -0.351 1.00 0.00 N ATOM 314 C4 DG D 17 12.522 0.808 -1.659 1.00 0.00 C ATOM 0 H5' DG D 17 14.628 -2.825 -5.942 1.00 0.00 H new ATOM 0 H5'' DG D 17 16.279 -2.746 -5.359 1.00 0.00 H new ATOM 0 H4' DG D 17 15.549 -3.193 -3.091 1.00 0.00 H new ATOM 0 H3' DG D 17 12.844 -3.644 -4.428 1.00 0.00 H new ATOM 0 H2' DG D 17 11.829 -2.030 -3.101 1.00 0.00 H new ATOM 0 H2'' DG D 17 12.516 -2.778 -1.673 1.00 0.00 H new ATOM 0 HO5' DG D 17 15.752 -4.851 -6.222 1.00 0.00 H new ATOM 0 H1' DG D 17 14.293 -1.239 -1.585 1.00 0.00 H new ATOM 0 H8 DG D 17 13.212 0.485 -4.755 1.00 0.00 H new ATOM 0 H1 DG D 17 10.925 3.176 0.552 1.00 0.00 H new ATOM 0 H21 DG D 17 12.188 0.347 2.091 1.00 0.00 H new ATOM 0 H22 DG D 17 11.345 1.891 2.259 1.00 0.00 H new ATOM 327 P DA D 18 12.297 -5.780 -2.924 1.00 0.00 P ATOM 328 OP1 DA D 18 12.814 -7.085 -2.452 1.00 0.00 O ATOM 329 OP2 DA D 18 11.648 -5.687 -4.252 1.00 0.00 O ATOM 330 O5' DA D 18 11.273 -5.199 -1.818 1.00 0.00 O ATOM 331 C5' DA D 18 11.554 -5.209 -0.404 1.00 0.00 C ATOM 332 C4' DA D 18 10.585 -4.333 0.398 1.00 0.00 C ATOM 333 O4' DA D 18 10.660 -2.968 -0.063 1.00 0.00 O ATOM 334 C3' DA D 18 9.114 -4.770 0.252 1.00 0.00 C ATOM 335 O3' DA D 18 8.515 -5.254 1.465 1.00 0.00 O ATOM 336 C2' DA D 18 8.438 -3.494 -0.182 1.00 0.00 C ATOM 337 C1' DA D 18 9.387 -2.375 0.197 1.00 0.00 C ATOM 338 N9 DA D 18 9.184 -1.212 -0.682 1.00 0.00 N ATOM 339 C8 DA D 18 9.347 -1.119 -2.031 1.00 0.00 C ATOM 340 N7 DA D 18 9.083 0.037 -2.566 1.00 0.00 N ATOM 341 C5 DA D 18 8.706 0.788 -1.450 1.00 0.00 C ATOM 342 C6 DA D 18 8.294 2.118 -1.299 1.00 0.00 C ATOM 343 N6 DA D 18 8.175 2.972 -2.304 1.00 0.00 N ATOM 344 N1 DA D 18 7.998 2.547 -0.068 1.00 0.00 N ATOM 345 C2 DA D 18 8.100 1.711 0.961 1.00 0.00 C ATOM 346 N3 DA D 18 8.475 0.440 0.951 1.00 0.00 N ATOM 347 C4 DA D 18 8.768 0.037 -0.306 1.00 0.00 C ATOM 0 H5' DA D 18 12.574 -4.862 -0.238 1.00 0.00 H new ATOM 0 H5'' DA D 18 11.502 -6.233 -0.035 1.00 0.00 H new ATOM 0 H4' DA D 18 10.885 -4.434 1.441 1.00 0.00 H new ATOM 0 H3' DA D 18 9.020 -5.609 -0.437 1.00 0.00 H new ATOM 0 H2' DA D 18 8.247 -3.498 -1.255 1.00 0.00 H new ATOM 0 H2'' DA D 18 7.474 -3.374 0.313 1.00 0.00 H new ATOM 0 H1' DA D 18 9.261 -2.015 1.218 1.00 0.00 H new ATOM 0 H8 DA D 18 9.677 -1.959 -2.624 1.00 0.00 H new ATOM 0 H61 DA D 18 7.869 3.929 -2.127 1.00 0.00 H new ATOM 0 H62 DA D 18 8.389 2.673 -3.255 1.00 0.00 H new ATOM 0 H2 DA D 18 7.845 2.120 1.928 1.00 0.00 H new ATOM 359 P DC D 19 8.263 -6.828 1.724 1.00 0.00 P ATOM 360 OP1 DC D 19 7.431 -6.958 2.942 1.00 0.00 O ATOM 361 OP2 DC D 19 9.569 -7.524 1.651 1.00 0.00 O ATOM 362 O5' DC D 19 7.378 -7.270 0.437 1.00 0.00 O ATOM 363 C5' DC D 19 6.005 -7.712 0.448 1.00 0.00 C ATOM 364 C4' DC D 19 5.003 -6.694 1.020 1.00 0.00 C ATOM 365 O4' DC D 19 4.970 -5.468 0.272 1.00 0.00 O ATOM 366 C3' DC D 19 3.590 -7.242 0.909 1.00 0.00 C ATOM 367 O3' DC D 19 3.241 -8.085 2.019 1.00 0.00 O ATOM 368 C2' DC D 19 2.779 -5.967 0.944 1.00 0.00 C ATOM 369 C1' DC D 19 3.719 -4.820 0.568 1.00 0.00 C ATOM 370 N1 DC D 19 3.266 -4.099 -0.647 1.00 0.00 N ATOM 371 C2 DC D 19 2.785 -2.796 -0.540 1.00 0.00 C ATOM 372 O2 DC D 19 2.696 -2.216 0.536 1.00 0.00 O ATOM 373 N3 DC D 19 2.400 -2.150 -1.668 1.00 0.00 N ATOM 374 C4 DC D 19 2.482 -2.754 -2.849 1.00 0.00 C ATOM 375 N4 DC D 19 2.100 -2.070 -3.909 1.00 0.00 N ATOM 376 C5 DC D 19 2.966 -4.087 -2.989 1.00 0.00 C ATOM 377 C6 DC D 19 3.345 -4.718 -1.862 1.00 0.00 C ATOM 0 H5' DC D 19 5.939 -8.632 1.030 1.00 0.00 H new ATOM 0 H5'' DC D 19 5.709 -7.958 -0.572 1.00 0.00 H new ATOM 0 H4' DC D 19 5.324 -6.515 2.046 1.00 0.00 H new ATOM 0 H3' DC D 19 3.438 -7.867 0.029 1.00 0.00 H new ATOM 0 H2' DC D 19 1.944 -6.024 0.246 1.00 0.00 H new ATOM 0 H2'' DC D 19 2.356 -5.808 1.936 1.00 0.00 H new ATOM 0 H1' DC D 19 3.771 -4.084 1.371 1.00 0.00 H new ATOM 0 H41 DC D 19 2.147 -2.496 -4.835 1.00 0.00 H new ATOM 0 H42 DC D 19 1.758 -1.115 -3.803 1.00 0.00 H new ATOM 0 H5 DC D 19 3.026 -4.568 -3.954 1.00 0.00 H new ATOM 0 H6 DC D 19 3.718 -5.730 -1.919 1.00 0.00 H new ATOM 389 P DG D 20 2.006 -9.128 1.950 1.00 0.00 P ATOM 390 OP1 DG D 20 1.807 -9.703 3.301 1.00 0.00 O ATOM 391 OP2 DG D 20 2.223 -10.027 0.795 1.00 0.00 O ATOM 392 O5' DG D 20 0.755 -8.158 1.628 1.00 0.00 O ATOM 393 C5' DG D 20 -0.453 -8.599 0.985 1.00 0.00 C ATOM 394 C4' DG D 20 -1.353 -7.419 0.625 1.00 0.00 C ATOM 395 O4' DG D 20 -0.736 -6.515 -0.322 1.00 0.00 O ATOM 396 C3' DG D 20 -2.674 -7.853 -0.037 1.00 0.00 C ATOM 397 O3' DG D 20 -3.808 -7.800 0.847 1.00 0.00 O ATOM 398 C2' DG D 20 -2.797 -6.837 -1.155 1.00 0.00 C ATOM 399 C1' DG D 20 -1.824 -5.722 -0.799 1.00 0.00 C ATOM 400 N9 DG D 20 -1.445 -4.862 -1.942 1.00 0.00 N ATOM 401 C8 DG D 20 -1.216 -5.221 -3.235 1.00 0.00 C ATOM 402 N7 DG D 20 -0.912 -4.262 -4.054 1.00 0.00 N ATOM 403 C5 DG D 20 -0.937 -3.140 -3.224 1.00 0.00 C ATOM 404 C6 DG D 20 -0.758 -1.761 -3.542 1.00 0.00 C ATOM 405 O6 DG D 20 -0.468 -1.237 -4.611 1.00 0.00 O ATOM 406 N1 DG D 20 -0.944 -0.953 -2.453 1.00 0.00 N ATOM 407 C2 DG D 20 -1.260 -1.392 -1.199 1.00 0.00 C ATOM 408 N2 DG D 20 -1.376 -0.489 -0.254 1.00 0.00 N ATOM 409 N3 DG D 20 -1.435 -2.670 -0.875 1.00 0.00 N ATOM 410 C4 DG D 20 -1.259 -3.495 -1.935 1.00 0.00 C ATOM 0 H5' DG D 20 -0.990 -9.281 1.644 1.00 0.00 H new ATOM 0 H5'' DG D 20 -0.204 -9.158 0.083 1.00 0.00 H new ATOM 0 H4' DG D 20 -1.531 -6.933 1.584 1.00 0.00 H new ATOM 0 H3' DG D 20 -2.662 -8.894 -0.360 1.00 0.00 H new ATOM 0 H2' DG D 20 -2.549 -7.282 -2.119 1.00 0.00 H new ATOM 0 H2'' DG D 20 -3.816 -6.459 -1.231 1.00 0.00 H new ATOM 0 H1' DG D 20 -2.218 -4.986 -0.099 1.00 0.00 H new ATOM 0 H8 DG D 20 -1.284 -6.248 -3.561 1.00 0.00 H new ATOM 0 H1 DG D 20 -0.839 0.053 -2.588 1.00 0.00 H new ATOM 0 H21 DG D 20 -1.611 -0.773 0.697 1.00 0.00 H new ATOM 0 H22 DG D 20 -1.231 0.497 -0.471 1.00 0.00 H new ATOM 422 P DT D 21 -4.191 -9.042 1.812 1.00 0.00 P ATOM 423 OP1 DT D 21 -3.061 -9.299 2.734 1.00 0.00 O ATOM 424 OP2 DT D 21 -4.686 -10.136 0.942 1.00 0.00 O ATOM 425 O5' DT D 21 -5.449 -8.510 2.680 1.00 0.00 O ATOM 426 C5' DT D 21 -5.340 -7.486 3.690 1.00 0.00 C ATOM 427 C4' DT D 21 -6.429 -6.424 3.546 1.00 0.00 C ATOM 428 O4' DT D 21 -6.328 -5.814 2.253 1.00 0.00 O ATOM 429 C3' DT D 21 -7.866 -6.932 3.716 1.00 0.00 C ATOM 430 O3' DT D 21 -8.603 -6.075 4.607 1.00 0.00 O ATOM 431 C2' DT D 21 -8.364 -6.872 2.294 1.00 0.00 C ATOM 432 C1' DT D 21 -7.628 -5.690 1.691 1.00 0.00 C ATOM 433 N1 DT D 21 -7.447 -5.768 0.225 1.00 0.00 N ATOM 434 C2 DT D 21 -7.848 -4.699 -0.541 1.00 0.00 C ATOM 435 O2 DT D 21 -8.330 -3.678 -0.076 1.00 0.00 O ATOM 436 N3 DT D 21 -7.670 -4.808 -1.886 1.00 0.00 N ATOM 437 C4 DT D 21 -7.133 -5.867 -2.554 1.00 0.00 C ATOM 438 O4 DT D 21 -7.038 -5.813 -3.777 1.00 0.00 O ATOM 439 C5 DT D 21 -6.727 -6.960 -1.694 1.00 0.00 C ATOM 440 C7 DT D 21 -6.102 -8.218 -2.303 1.00 0.00 C ATOM 441 C6 DT D 21 -6.895 -6.875 -0.356 1.00 0.00 C ATOM 0 H5' DT D 21 -4.360 -7.013 3.623 1.00 0.00 H new ATOM 0 H5'' DT D 21 -5.406 -7.942 4.678 1.00 0.00 H new ATOM 0 H4' DT D 21 -6.249 -5.722 4.360 1.00 0.00 H new ATOM 0 H3' DT D 21 -7.963 -7.922 4.161 1.00 0.00 H new ATOM 0 H2' DT D 21 -8.145 -7.794 1.756 1.00 0.00 H new ATOM 0 H2'' DT D 21 -9.444 -6.730 2.256 1.00 0.00 H new ATOM 0 H1' DT D 21 -8.180 -4.771 1.889 1.00 0.00 H new ATOM 0 H3 DT D 21 -7.970 -4.015 -2.453 1.00 0.00 H new ATOM 0 H71 DT D 21 -5.408 -8.661 -1.589 1.00 0.00 H new ATOM 0 H72 DT D 21 -6.887 -8.936 -2.540 1.00 0.00 H new ATOM 0 H73 DT D 21 -5.566 -7.953 -3.214 1.00 0.00 H new ATOM 0 H6 DT D 21 -6.586 -7.700 0.268 1.00 0.00 H new ATOM 454 P DC D 22 -10.036 -6.471 5.239 1.00 0.00 P ATOM 455 OP1 DC D 22 -10.219 -5.701 6.492 1.00 0.00 O ATOM 456 OP2 DC D 22 -10.151 -7.947 5.264 1.00 0.00 O ATOM 457 O5' DC D 22 -11.096 -5.912 4.144 1.00 0.00 O ATOM 458 C5' DC D 22 -11.656 -4.582 4.146 1.00 0.00 C ATOM 459 C4' DC D 22 -10.624 -3.460 3.895 1.00 0.00 C ATOM 460 O4' DC D 22 -9.955 -3.626 2.627 1.00 0.00 O ATOM 461 C3' DC D 22 -11.275 -2.073 3.804 1.00 0.00 C ATOM 462 O3' DC D 22 -10.298 -1.043 3.989 1.00 0.00 O ATOM 463 C2' DC D 22 -11.717 -2.107 2.361 1.00 0.00 C ATOM 464 C1' DC D 22 -10.525 -2.722 1.652 1.00 0.00 C ATOM 465 N1 DC D 22 -10.938 -3.495 0.457 1.00 0.00 N ATOM 466 C2 DC D 22 -10.985 -2.857 -0.775 1.00 0.00 C ATOM 467 O2 DC D 22 -10.715 -1.667 -0.910 1.00 0.00 O ATOM 468 N3 DC D 22 -11.344 -3.581 -1.864 1.00 0.00 N ATOM 469 C4 DC D 22 -11.645 -4.873 -1.754 1.00 0.00 C ATOM 470 N4 DC D 22 -11.988 -5.523 -2.855 1.00 0.00 N ATOM 471 C5 DC D 22 -11.604 -5.550 -0.498 1.00 0.00 C ATOM 472 C6 DC D 22 -11.246 -4.821 0.575 1.00 0.00 C ATOM 0 H5' DC D 22 -12.141 -4.406 5.106 1.00 0.00 H new ATOM 0 H5'' DC D 22 -12.431 -4.525 3.382 1.00 0.00 H new ATOM 0 H4' DC D 22 -9.939 -3.528 4.740 1.00 0.00 H new ATOM 0 H3' DC D 22 -12.055 -1.875 4.539 1.00 0.00 H new ATOM 0 H2' DC D 22 -12.618 -2.706 2.229 1.00 0.00 H new ATOM 0 H2'' DC D 22 -11.940 -1.109 1.984 1.00 0.00 H new ATOM 0 HO3' DC D 22 -10.731 -0.166 3.926 1.00 0.00 H new ATOM 0 H1' DC D 22 -9.832 -1.956 1.306 1.00 0.00 H new ATOM 0 H41 DC D 22 -12.225 -6.514 -2.809 1.00 0.00 H new ATOM 0 H42 DC D 22 -12.015 -5.033 -3.749 1.00 0.00 H new ATOM 0 H5 DC D 22 -11.849 -6.598 -0.413 1.00 0.00 H new ATOM 0 H6 DC D 22 -11.201 -5.292 1.546 1.00 0.00 H new TER 485 DC D 22 HETATM 486 N1 QUI A 0 5.046 1.085 -0.136 1.00 0.00 N HETATM 487 C2 QUI A 0 4.942 2.393 -0.509 1.00 0.00 C HETATM 488 C3 QUI A 0 5.125 2.765 -1.856 1.00 0.00 C HETATM 489 N4 QUI A 0 5.407 1.832 -2.803 1.00 0.00 N HETATM 490 C5 QUI A 0 5.803 -0.425 -3.414 1.00 0.00 C HETATM 491 C6 QUI A 0 5.917 -1.775 -3.046 1.00 0.00 C HETATM 492 C7 QUI A 0 5.738 -2.174 -1.697 1.00 0.00 C HETATM 493 C8 QUI A 0 5.442 -1.196 -0.718 1.00 0.00 C HETATM 494 C9 QUI A 0 5.327 0.153 -1.081 1.00 0.00 C HETATM 495 C10 QUI A 0 5.509 0.531 -2.430 1.00 0.00 C HETATM 496 C QUI A 0 4.636 3.424 0.509 1.00 0.00 C HETATM 497 O1 QUI A 0 4.923 4.610 0.293 1.00 0.00 O HETATM 0 H8 QUI A 0 5.303 -1.493 0.322 1.00 0.00 H new HETATM 0 H7 QUI A 0 5.828 -3.224 -1.417 1.00 0.00 H new HETATM 0 H6 QUI A 0 6.145 -2.524 -3.805 1.00 0.00 H new HETATM 0 H5 QUI A 0 5.941 -0.123 -4.452 1.00 0.00 H new HETATM 0 H3 QUI A 0 5.039 3.813 -2.142 1.00 0.00 H new HETATM 503 N1 QUI A 9 -4.434 -1.103 -2.144 1.00 0.00 N HETATM 504 C2 QUI A 9 -4.325 -2.452 -2.314 1.00 0.00 C HETATM 505 C3 QUI A 9 -4.033 -2.988 -3.585 1.00 0.00 C HETATM 506 N4 QUI A 9 -3.855 -2.178 -4.659 1.00 0.00 N HETATM 507 C5 QUI A 9 -3.780 -0.010 -5.603 1.00 0.00 C HETATM 508 C6 QUI A 9 -3.891 1.380 -5.450 1.00 0.00 C HETATM 509 C7 QUI A 9 -4.187 1.948 -4.183 1.00 0.00 C HETATM 510 C8 QUI A 9 -4.369 1.095 -3.068 1.00 0.00 C HETATM 511 C9 QUI A 9 -4.258 -0.293 -3.219 1.00 0.00 C HETATM 512 C10 QUI A 9 -3.964 -0.837 -4.488 1.00 0.00 C HETATM 513 C QUI A 9 -4.512 -3.361 -1.164 1.00 0.00 C HETATM 514 O1 QUI A 9 -4.932 -4.509 -1.358 1.00 0.00 O HETATM 0 H8 QUI A 9 -4.596 1.519 -2.090 1.00 0.00 H new HETATM 0 H7 QUI A 9 -4.273 3.029 -4.070 1.00 0.00 H new HETATM 0 H6 QUI A 9 -3.749 2.031 -6.313 1.00 0.00 H new HETATM 0 H5 QUI A 9 -3.553 -0.441 -6.578 1.00 0.00 H new HETATM 0 H3 QUI A 9 -3.949 -4.068 -3.707 1.00 0.00 H new