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Added DNA Seq and Non-canonical nucleoside test

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This commit is contained in:
Jarrett Johnson
2018-06-26 14:49:50 -04:00
parent e6f057a5f6
commit f99d358286
3 changed files with 2033 additions and 5 deletions
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600
testing/data/1bna.cif Normal file
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# generated by PyMOL 2.2.0a0
#
data_1bna
_entry.id 1bna
#
_cell.entry_id 1bna
_cell.length_a 24.870
_cell.length_b 40.390
_cell.length_c 66.200
_cell.angle_alpha 90.00
_cell.angle_beta 90.00
_cell.angle_gamma 90.00
_symmetry.entry_id 1bna
_symmetry.space_group_name_H-M 'P 21 21 21'
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1 C C5' . DC A 1 1 ? 19.130 33.921 24.219 1.00 44.69 0 A 1
ATOM 2 O O5' . DC A 1 1 ? 18.935 34.195 25.617 1.00 64.35 0 A 1
ATOM 3 C C4' . DC A 1 1 ? 19.961 32.668 24.100 1.00 31.28 0 A 1
ATOM 4 O O4' . DC A 1 1 ? 19.360 31.583 24.852 1.00 37.45 0 A 1
ATOM 5 C C3' . DC A 1 1 ? 20.172 32.122 22.694 1.00 46.72 0 A 1
ATOM 6 O O3' . DC A 1 1 ? 21.350 31.325 22.681 1.00 48.89 0 A 1
ATOM 7 C C2' . DC A 1 1 ? 18.948 31.223 22.647 1.00 30.88 0 A 1
ATOM 8 C C1' . DC A 1 1 ? 19.231 30.482 23.944 1.00 36.58 0 A 1
ATOM 9 N N1 . DC A 1 1 ? 18.070 29.661 24.380 1.00 40.51 0 A 1
ATOM 10 C C2 . DC A 1 1 ? 18.224 28.454 25.015 1.00 16.62 0 A 1
ATOM 11 O O2 . DC A 1 1 ? 19.360 28.014 25.214 1.00 27.75 0 A 1
ATOM 12 N N3 . DC A 1 1 ? 17.143 27.761 25.377 1.00 20.55 0 A 1
ATOM 13 C C4 . DC A 1 1 ? 15.917 28.226 25.120 1.00 34.72 0 A 1
ATOM 14 N N4 . DC A 1 1 ? 14.828 27.477 25.444 1.00 40.31 0 A 1
ATOM 15 C C5 . DC A 1 1 ? 15.719 29.442 24.471 1.00 30.78 0 A 1
ATOM 16 C C6 . DC A 1 1 ? 16.843 30.171 24.101 1.00 25.90 0 A 1
ATOM 17 P P . DG A 1 2 ? 22.409 31.286 21.483 1.00 58.85 0 A 1
ATOM 18 C C5' . DG A 1 2 ? 23.543 29.175 22.594 1.00 47.19 0 A 1
ATOM 19 O O5' . DG A 1 2 ? 22.840 29.751 21.498 1.00 40.36 0 A 1
ATOM 20 C C4' . DG A 1 2 ? 23.494 27.709 22.279 1.00 47.81 0 A 1
ATOM 21 O O4' . DG A 1 2 ? 22.193 27.252 22.674 1.00 38.76 0 A 1
ATOM 22 C C3' . DG A 1 2 ? 23.693 27.325 20.807 1.00 28.58 0 A 1
ATOM 23 O O3' . DG A 1 2 ? 24.723 26.320 20.653 1.00 40.44 0 A 1
ATOM 24 C C2' . DG A 1 2 ? 22.273 26.885 20.416 1.00 21.14 0 A 1
ATOM 25 C C1' . DG A 1 2 ? 21.721 26.304 21.716 1.00 33.95 0 A 1
ATOM 26 N N1 . DG A 1 2 ? 17.197 24.279 23.037 1.00 15.44 0 A 1
ATOM 27 C C2 . DG A 1 2 ? 18.434 23.717 23.155 1.00 9.63 0 A 1
ATOM 28 N N2 . DG A 1 2 ? 18.508 22.456 23.668 1.00 16.69 0 A 1
ATOM 29 N N3 . DG A 1 2 ? 19.537 24.360 22.770 1.00 30.98 0 A 1
ATOM 30 C C4 . DG A 1 2 ? 19.290 25.594 22.274 1.00 18.56 0 A 1
ATOM 31 C C5 . DG A 1 2 ? 18.083 26.212 22.142 1.00 15.06 0 A 1
ATOM 32 C C6 . DG A 1 2 ? 16.904 25.525 22.545 1.00 11.88 0 A 1
ATOM 33 O O6 . DG A 1 2 ? 15.739 25.916 22.518 1.00 21.30 0 A 1
ATOM 34 N N7 . DG A 1 2 ? 18.207 27.455 21.636 1.00 32.37 0 A 1
ATOM 35 C C8 . DG A 1 2 ? 19.526 27.584 21.429 1.00 36.47 0 A 1
ATOM 36 N N9 . DG A 1 2 ? 20.237 26.470 21.780 1.00 34.00 0 A 1
ATOM 37 O OP1 . DG A 1 2 ? 23.536 32.157 21.851 1.00 57.82 0 A 1
ATOM 38 O OP2 . DG A 1 2 ? 21.822 31.459 20.139 1.00 78.33 -1 A 1
ATOM 39 P P . DC A 1 3 ? 25.064 25.621 19.252 1.00 44.67 0 A 1
ATOM 40 C C5' . DC A 1 3 ? 24.584 23.285 20.335 1.00 45.75 0 A 1
ATOM 41 O O5' . DC A 1 3 ? 24.260 24.246 19.327 1.00 35.42 0 A 1
ATOM 42 C C4' . DC A 1 3 ? 23.523 22.233 20.245 1.00 43.02 0 A 1
ATOM 43 O O4' . DC A 1 3 ? 22.256 22.844 20.453 1.00 36.85 0 A 1
ATOM 44 C C3' . DC A 1 3 ? 23.424 21.557 18.903 1.00 40.14 0 A 1
ATOM 45 O O3' . DC A 1 3 ? 24.121 20.309 18.928 1.00 49.62 0 A 1
ATOM 46 C C2' . DC A 1 3 ? 21.930 21.406 18.661 1.00 53.79 0 A 1
ATOM 47 C C1' . DC A 1 3 ? 21.278 21.966 19.909 1.00 22.18 0 A 1
ATOM 48 N N1 . DC A 1 3 ? 20.196 22.889 19.521 1.00 25.44 0 A 1
ATOM 49 C C2 . DC A 1 3 ? 18.909 22.584 19.816 1.00 19.81 0 A 1
ATOM 50 O O2 . DC A 1 3 ? 18.685 21.512 20.382 1.00 29.92 0 A 1
ATOM 51 N N3 . DC A 1 3 ? 17.935 23.447 19.502 1.00 21.59 0 A 1
ATOM 52 C C4 . DC A 1 3 ? 18.217 24.603 18.897 1.00 14.01 0 A 1
ATOM 53 N N4 . DC A 1 3 ? 17.221 25.499 18.629 1.00 26.88 0 A 1
ATOM 54 C C5 . DC A 1 3 ? 19.526 24.945 18.571 1.00 27.59 0 A 1
ATOM 55 C C6 . DC A 1 3 ? 20.537 24.048 18.899 1.00 27.05 0 A 1
ATOM 56 O OP1 . DC A 1 3 ? 26.506 25.316 19.220 1.00 53.89 0 A 1
ATOM 57 O OP2 . DC A 1 3 ? 24.559 26.412 18.115 1.00 57.79 -1 A 1
ATOM 58 P P . DG A 1 4 ? 24.249 19.412 17.617 1.00 44.54 0 A 1
ATOM 59 C C5' . DG A 1 4 ? 22.714 17.625 18.753 1.00 37.89 0 A 1
ATOM 60 O O5' . DG A 1 4 ? 22.931 18.537 17.670 1.00 32.01 0 A 1
ATOM 61 C C4' . DG A 1 4 ? 21.393 16.960 18.505 1.00 53.00 0 A 1
ATOM 62 O O4' . DG A 1 4 ? 20.353 17.952 18.496 1.00 38.79 0 A 1
ATOM 63 C C3' . DG A 1 4 ? 21.264 16.229 17.176 1.00 56.72 0 A 1
ATOM 64 O O3' . DG A 1 4 ? 20.284 15.214 17.238 1.00 64.12 0 A 1
ATOM 65 C C2' . DG A 1 4 ? 20.793 17.368 16.288 1.00 40.81 0 A 1
ATOM 66 C C1' . DG A 1 4 ? 19.716 17.901 17.218 1.00 30.52 0 A 1
ATOM 67 N N1 . DG A 1 4 ? 15.933 21.214 17.352 1.00 27.94 0 A 1
ATOM 68 C C2 . DG A 1 4 ? 15.972 19.930 17.816 1.00 23.44 0 A 1
ATOM 69 N N2 . DG A 1 4 ? 14.831 19.416 18.353 1.00 42.64 0 A 1
ATOM 70 N N3 . DG A 1 4 ? 17.068 19.179 17.717 1.00 21.56 0 A 1
ATOM 71 C C4 . DG A 1 4 ? 18.084 19.825 17.121 1.00 23.44 0 A 1
ATOM 72 C C5 . DG A 1 4 ? 18.121 21.100 16.635 1.00 23.22 0 A 1
ATOM 73 C C6 . DG A 1 4 ? 16.952 21.904 16.749 1.00 29.21 0 A 1
ATOM 74 O O6 . DG A 1 4 ? 16.769 23.057 16.368 1.00 38.58 0 A 1
ATOM 75 N N7 . DG A 1 4 ? 19.313 21.394 16.077 1.00 28.01 0 A 1
ATOM 76 C C8 . DG A 1 4 ? 20.017 20.263 16.232 1.00 27.82 0 A 1
ATOM 77 N N9 . DG A 1 4 ? 19.305 19.281 16.869 1.00 28.53 0 A 1
ATOM 78 O OP1 . DG A 1 4 ? 25.420 18.535 17.765 1.00 61.90 0 A 1
ATOM 79 O OP2 . DG A 1 4 ? 24.208 20.296 16.440 1.00 37.36 -1 A 1
ATOM 80 P P . DA A 1 5 ? 20.356 13.969 16.245 1.00 57.01 0 A 1
ATOM 81 C C5' . DA A 1 5 ? 18.015 13.569 17.362 1.00 47.67 0 A 1
ATOM 82 O O5' . DA A 1 5 ? 18.810 13.581 16.161 1.00 47.12 0 A 1
ATOM 83 C C4' . DA A 1 5 ? 16.672 14.088 16.957 1.00 64.79 0 A 1
ATOM 84 O O4' . DA A 1 5 ? 16.842 15.447 16.561 1.00 47.60 0 A 1
ATOM 85 C C3' . DA A 1 5 ? 16.019 13.393 15.764 1.00 51.50 0 A 1
ATOM 86 O O3' . DA A 1 5 ? 14.762 12.796 16.120 1.00 52.18 0 A 1
ATOM 87 C C2' . DA A 1 5 ? 15.952 14.498 14.696 1.00 45.00 0 A 1
ATOM 88 C C1' . DA A 1 5 ? 15.851 15.732 15.569 1.00 26.88 0 A 1
ATOM 89 N N1 . DA A 1 5 ? 14.966 20.578 14.118 1.00 27.61 0 A 1
ATOM 90 C C2 . DA A 1 5 ? 14.178 19.652 14.669 1.00 18.53 0 A 1
ATOM 91 N N3 . DA A 1 5 ? 14.463 18.392 14.984 1.00 29.16 0 A 1
ATOM 92 C C4 . DA A 1 5 ? 15.750 18.110 14.661 1.00 15.08 0 A 1
ATOM 93 C C5 . DA A 1 5 ? 16.673 18.953 14.098 1.00 22.49 0 A 1
ATOM 94 C C6 . DA A 1 5 ? 16.230 20.279 13.819 1.00 18.12 0 A 1
ATOM 95 N N6 . DA A 1 5 ? 17.045 21.222 13.268 1.00 29.30 0 A 1
ATOM 96 N N7 . DA A 1 5 ? 17.863 18.346 13.913 1.00 34.85 0 A 1
ATOM 97 C C8 . DA A 1 5 ? 17.658 17.103 14.382 1.00 28.14 0 A 1
ATOM 98 N N9 . DA A 1 5 ? 16.391 16.916 14.867 1.00 16.69 0 A 1
ATOM 99 O OP1 . DA A 1 5 ? 21.116 12.891 16.892 1.00 58.59 0 A 1
ATOM 100 O OP2 . DA A 1 5 ? 20.837 14.423 14.910 1.00 51.96 -1 A 1
ATOM 101 P P . DA A 1 6 ? 13.866 12.006 15.063 1.00 43.68 0 A 1
ATOM 102 C C5' . DA A 1 6 ? 11.802 13.597 15.290 1.00 42.29 0 A 1
ATOM 103 O O5' . DA A 1 6 ? 12.879 13.111 14.480 1.00 28.20 0 A 1
ATOM 104 C C4' . DA A 1 6 ? 11.111 14.603 14.435 1.00 33.23 0 A 1
ATOM 105 O O4' . DA A 1 6 ? 12.152 15.460 13.962 1.00 41.48 0 A 1
ATOM 106 C C3' . DA A 1 6 ? 10.417 14.070 13.187 1.00 18.16 0 A 1
ATOM 107 O O3' . DA A 1 6 ? 9.007 14.369 13.181 1.00 30.42 0 A 1
ATOM 108 C C2' . DA A 1 6 ? 11.240 14.692 12.061 1.00 52.97 0 A 1
ATOM 109 C C1' . DA A 1 6 ? 11.699 15.974 12.719 1.00 38.93 0 A 1
ATOM 110 N N1 . DA A 1 6 ? 13.999 20.191 10.852 1.00 17.93 0 A 1
ATOM 111 C C2 . DA A 1 6 ? 12.753 19.962 11.272 1.00 23.00 0 A 1
ATOM 112 N N3 . DA A 1 6 ? 12.210 18.824 11.698 1.00 21.37 0 A 1
ATOM 113 C C4 . DA A 1 6 ? 13.116 17.823 11.657 1.00 15.93 0 A 1
ATOM 114 C C5 . DA A 1 6 ? 14.416 17.901 11.246 1.00 19.88 0 A 1
ATOM 115 C C6 . DA A 1 6 ? 14.873 19.187 10.815 1.00 17.26 0 A 1
ATOM 116 N N6 . DA A 1 6 ? 16.161 19.418 10.427 1.00 19.85 0 A 1
ATOM 117 N N7 . DA A 1 6 ? 15.049 16.714 11.356 1.00 29.55 0 A 1
ATOM 118 C C8 . DA A 1 6 ? 14.115 15.899 11.868 1.00 17.83 0 A 1
ATOM 119 N N9 . DA A 1 6 ? 12.918 16.526 12.078 1.00 19.06 0 A 1
ATOM 120 O OP1 . DA A 1 6 ? 13.028 11.039 15.800 1.00 42.55 0 A 1
ATOM 121 O OP2 . DA A 1 6 ? 14.715 11.499 13.968 1.00 54.20 -1 A 1
ATOM 122 P P . DT A 1 7 ? 8.081 14.050 11.915 1.00 40.72 0 A 1
ATOM 123 C C5' . DT A 1 7 ? 7.907 16.635 11.686 1.00 34.88 0 A 1
ATOM 124 O O5' . DT A 1 7 ? 8.239 15.387 11.076 1.00 35.21 0 A 1
ATOM 125 C C4' . DT A 1 7 ? 8.162 17.628 10.598 1.00 31.45 0 A 1
ATOM 126 O O4' . DT A 1 7 ? 9.543 17.580 10.279 1.00 46.82 0 A 1
ATOM 127 C C3' . DT A 1 7 ? 7.461 17.284 9.296 1.00 23.76 0 A 1
ATOM 128 O O3' . DT A 1 7 ? 6.251 18.034 9.162 1.00 44.27 0 A 1
ATOM 129 C C2' . DT A 1 7 ? 8.532 17.527 8.223 1.00 26.30 0 A 1
ATOM 130 C C1' . DT A 1 7 ? 9.644 18.209 9.019 1.00 28.96 0 A 1
ATOM 131 N N1 . DT A 1 7 ? 11.021 17.903 8.565 1.00 20.47 0 A 1
ATOM 132 C C2 . DT A 1 7 ? 11.822 18.923 8.176 1.00 28.01 0 A 1
ATOM 133 O O2 . DT A 1 7 ? 11.383 20.077 8.143 1.00 40.01 0 A 1
ATOM 134 N N3 . DT A 1 7 ? 13.119 18.641 7.852 1.00 27.94 0 A 1
ATOM 135 C C4 . DT A 1 7 ? 13.633 17.372 7.882 1.00 15.14 0 A 1
ATOM 136 O O4 . DT A 1 7 ? 14.830 17.222 7.619 1.00 32.54 0 A 1
ATOM 137 C C5 . DT A 1 7 ? 12.781 16.325 8.235 1.00 10.83 0 A 1
ATOM 138 C C6 . DT A 1 7 ? 11.465 16.616 8.594 1.00 12.19 0 A 1
ATOM 139 C C7 . DT A 1 7 ? 13.269 14.902 8.236 1.00 36.33 0 A 1
ATOM 140 O OP1 . DT A 1 7 ? 6.668 13.960 12.342 1.00 46.75 0 A 1
ATOM 141 O OP2 . DT A 1 7 ? 8.600 12.894 11.137 1.00 42.53 -1 A 1
ATOM 142 P P . DT A 1 8 ? 5.384 17.990 7.824 1.00 49.10 0 A 1
ATOM 143 C C5' . DT A 1 8 ? 6.146 20.478 7.418 1.00 34.73 0 A 1
ATOM 144 O O5' . DT A 1 8 ? 6.086 19.118 6.927 1.00 48.80 0 A 1
ATOM 145 C C4' . DT A 1 8 ? 6.995 21.229 6.438 1.00 28.73 0 A 1
ATOM 146 O O4' . DT A 1 8 ? 8.188 20.458 6.284 1.00 39.07 0 A 1
ATOM 147 C C3' . DT A 1 8 ? 6.418 21.332 5.029 1.00 37.88 0 A 1
ATOM 148 O O3' . DT A 1 8 ? 5.967 22.667 4.696 1.00 52.04 0 A 1
ATOM 149 C C2' . DT A 1 8 ? 7.513 20.718 4.139 1.00 32.80 0 A 1
ATOM 150 C C1' . DT A 1 8 ? 8.736 20.855 5.034 1.00 36.58 0 A 1
ATOM 151 N N1 . DT A 1 8 ? 9.823 19.876 4.759 1.00 24.57 0 A 1
ATOM 152 C C2 . DT A 1 8 ? 11.086 20.316 4.494 1.00 19.41 0 A 1
ATOM 153 O O2 . DT A 1 8 ? 11.324 21.516 4.389 1.00 32.74 0 A 1
ATOM 154 N N3 . DT A 1 8 ? 12.094 19.403 4.412 1.00 25.12 0 A 1
ATOM 155 C C4 . DT A 1 8 ? 11.876 18.060 4.551 1.00 31.35 0 A 1
ATOM 156 O O4 . DT A 1 8 ? 12.858 17.317 4.503 1.00 28.53 0 A 1
ATOM 157 C C5 . DT A 1 8 ? 10.569 17.611 4.765 1.00 22.80 0 A 1
ATOM 158 C C6 . DT A 1 8 ? 9.545 18.548 4.904 1.00 20.28 0 A 1
ATOM 159 C C7 . DT A 1 8 ? 10.261 16.140 4.896 1.00 24.98 0 A 1
ATOM 160 O OP1 . DT A 1 8 ? 4.025 18.444 8.180 1.00 41.11 0 A 1
ATOM 161 O OP2 . DT A 1 8 ? 5.458 16.668 7.160 1.00 39.21 -1 A 1
ATOM 162 P P . DC A 1 9 ? 5.531 23.071 3.209 1.00 48.97 0 A 1
ATOM 163 C C5' . DC A 1 9 ? 7.636 24.627 3.249 1.00 50.86 0 A 1
ATOM 164 O O5' . DC A 1 9 ? 6.926 23.547 2.611 1.00 43.99 0 A 1
ATOM 165 C C4' . DC A 1 9 ? 8.897 24.853 2.457 1.00 46.66 0 A 1
ATOM 166 O O4' . DC A 1 9 ? 9.638 23.627 2.448 1.00 42.69 0 A 1
ATOM 167 C C3' . DC A 1 9 ? 8.717 25.240 0.998 1.00 56.96 0 A 1
ATOM 168 O O3' . DC A 1 9 ? 9.470 26.414 0.667 1.00 63.54 0 A 1
ATOM 169 C C2' . DC A 1 9 ? 9.126 23.965 0.253 1.00 50.41 0 A 1
ATOM 170 C C1' . DC A 1 9 ? 10.241 23.483 1.157 1.00 41.08 0 A 1
ATOM 171 N N1 . DC A 1 9 ? 10.524 22.022 1.015 1.00 37.23 0 A 1
ATOM 172 C C2 . DC A 1 9 ? 11.814 21.603 0.840 1.00 40.54 0 A 1
ATOM 173 O O2 . DC A 1 9 ? 12.691 22.447 0.670 1.00 43.89 0 A 1
ATOM 174 N N3 . DC A 1 9 ? 12.106 20.297 0.873 1.00 32.57 0 A 1
ATOM 175 C C4 . DC A 1 9 ? 11.141 19.395 1.046 1.00 24.65 0 A 1
ATOM 176 N N4 . DC A 1 9 ? 11.461 18.075 1.089 1.00 27.84 0 A 1
ATOM 177 C C5 . DC A 1 9 ? 9.803 19.775 1.177 1.00 17.61 0 A 1
ATOM 178 C C6 . DC A 1 9 ? 9.499 21.133 1.167 1.00 30.63 0 A 1
ATOM 179 O OP1 . DC A 1 9 ? 4.648 24.244 3.269 1.00 62.33 0 A 1
ATOM 180 O OP2 . DC A 1 9 ? 5.010 21.905 2.470 1.00 51.53 -1 A 1
ATOM 181 P P . DG A 1 10 ? 9.055 27.333 -0.581 1.00 65.48 0 A 1
ATOM 182 C C5' . DG A 1 10 ? 11.382 26.940 -1.720 1.00 71.73 0 A 1
ATOM 183 O O5' . DG A 1 10 ? 9.954 26.765 -1.771 1.00 70.30 0 A 1
ATOM 184 C C4' . DG A 1 10 ? 11.972 26.090 -2.802 1.00 58.69 0 A 1
ATOM 185 O O4' . DG A 1 10 ? 11.802 24.724 -2.404 1.00 41.03 0 A 1
ATOM 186 C C3' . DG A 1 10 ? 11.327 26.178 -4.188 1.00 45.61 0 A 1
ATOM 187 O O3' . DG A 1 10 ? 12.311 26.096 -5.214 1.00 52.70 0 A 1
ATOM 188 C C2' . DG A 1 10 ? 10.414 24.962 -4.186 1.00 36.02 0 A 1
ATOM 189 C C1' . DG A 1 10 ? 11.429 24.028 -3.587 1.00 50.90 0 A 1
ATOM 190 N N1 . DG A 1 10 ? 12.729 19.299 -2.720 1.00 23.54 0 A 1
ATOM 191 C C2 . DG A 1 10 ? 13.498 20.365 -3.082 1.00 8.73 0 A 1
ATOM 192 N N2 . DG A 1 10 ? 14.834 20.169 -3.237 1.00 23.15 0 A 1
ATOM 193 N N3 . DG A 1 10 ? 12.982 21.573 -3.267 1.00 24.68 0 A 1
ATOM 194 C C4 . DG A 1 10 ? 11.656 21.601 -3.061 1.00 31.53 0 A 1
ATOM 195 C C5 . DG A 1 10 ? 10.818 20.588 -2.718 1.00 38.99 0 A 1
ATOM 196 C C6 . DG A 1 10 ? 11.376 19.292 -2.511 1.00 35.78 0 A 1
ATOM 197 O O6 . DG A 1 10 ? 10.813 18.252 -2.179 1.00 34.90 0 A 1
ATOM 198 N N7 . DG A 1 10 ? 9.541 21.009 -2.613 1.00 39.96 0 A 1
ATOM 199 C C8 . DG A 1 10 ? 9.616 22.315 -2.910 1.00 44.49 0 A 1
ATOM 200 N N9 . DG A 1 10 ? 10.890 22.713 -3.200 1.00 45.86 0 A 1
ATOM 201 O OP1 . DG A 1 10 ? 9.496 28.717 -0.258 1.00 59.09 0 A 1
ATOM 202 O OP2 . DG A 1 10 ? 7.632 27.106 -0.947 1.00 45.71 -1 A 1
ATOM 203 P P . DC A 1 11 ? 12.763 27.421 -5.980 1.00 60.62 0 A 1
ATOM 204 C C5' . DC A 1 11 ? 15.275 27.108 -5.318 1.00 54.70 0 A 1
ATOM 205 O O5' . DC A 1 11 ? 14.272 27.086 -6.366 1.00 57.57 0 A 1
ATOM 206 C C4' . DC A 1 11 ? 16.222 25.946 -5.510 1.00 72.51 0 A 1
ATOM 207 O O4' . DC A 1 11 ? 15.443 24.754 -5.397 1.00 47.18 0 A 1
ATOM 208 C C3' . DC A 1 11 ? 16.942 25.827 -6.848 1.00 29.82 0 A 1
ATOM 209 O O3' . DC A 1 11 ? 18.340 25.511 -6.701 1.00 43.53 0 A 1
ATOM 210 C C2' . DC A 1 11 ? 16.118 24.767 -7.578 1.00 51.34 0 A 1
ATOM 211 C C1' . DC A 1 11 ? 15.856 23.836 -6.414 1.00 30.07 0 A 1
ATOM 212 N N1 . DC A 1 11 ? 14.672 22.975 -6.637 1.00 23.25 0 A 1
ATOM 213 C C2 . DC A 1 11 ? 14.802 21.628 -6.529 1.00 20.38 0 A 1
ATOM 214 O O2 . DC A 1 11 ? 15.924 21.178 -6.314 1.00 38.77 0 A 1
ATOM 215 N N3 . DC A 1 11 ? 13.723 20.842 -6.627 1.00 15.92 0 A 1
ATOM 216 C C4 . DC A 1 11 ? 12.515 21.373 -6.836 1.00 15.82 0 A 1
ATOM 217 N N4 . DC A 1 11 ? 11.410 20.574 -6.872 1.00 28.04 0 A 1
ATOM 218 C C5 . DC A 1 11 ? 12.348 22.744 -6.978 1.00 26.17 0 A 1
ATOM 219 C C6 . DC A 1 11 ? 13.470 23.558 -6.869 1.00 35.50 0 A 1
ATOM 220 O OP1 . DC A 1 11 ? 12.796 28.572 -5.049 1.00 63.74 0 A 1
ATOM 221 O OP2 . DC A 1 11 ? 11.886 27.542 -7.164 1.00 52.44 -1 A 1
ATOM 222 P P . DG A 1 12 ? 19.331 25.774 -7.925 1.00 55.98 0 A 1
ATOM 223 C C5' . DG A 1 12 ? 20.109 23.284 -8.359 1.00 69.50 0 A 1
ATOM 224 O O5' . DG A 1 12 ? 19.302 24.412 -8.763 1.00 62.63 0 A 1
ATOM 225 C C4' . DG A 1 12 ? 19.748 22.167 -9.299 1.00 39.92 0 A 1
ATOM 226 O O4' . DG A 1 12 ? 18.350 21.969 -9.139 1.00 32.00 0 A 1
ATOM 227 C C3' . DG A 1 12 ? 19.921 22.404 -10.815 1.00 50.39 0 A 1
ATOM 228 O O3' . DG A 1 12 ? 20.985 21.635 -11.401 1.00 64.13 0 A 1
ATOM 229 C C2' . DG A 1 12 ? 18.535 22.062 -11.381 1.00 36.18 0 A 1
ATOM 230 C C1' . DG A 1 12 ? 17.965 21.200 -10.269 1.00 24.79 0 A 1
ATOM 231 N N1 . DG A 1 12 ? 13.750 18.466 -9.625 1.00 40.15 0 A 1
ATOM 232 C C2 . DG A 1 12 ? 15.042 18.043 -9.605 1.00 33.42 0 A 1
ATOM 233 N N2 . DG A 1 12 ? 15.259 16.717 -9.406 1.00 40.53 0 A 1
ATOM 234 N N3 . DG A 1 12 ? 16.061 18.885 -9.792 1.00 37.34 0 A 1
ATOM 235 C C4 . DG A 1 12 ? 15.660 20.156 -10.027 1.00 31.14 0 A 1
ATOM 236 C C5 . DG A 1 12 ? 14.388 20.640 -10.102 1.00 28.99 0 A 1
ATOM 237 C C6 . DG A 1 12 ? 13.301 19.742 -9.856 1.00 42.63 0 A 1
ATOM 238 O O6 . DG A 1 12 ? 12.091 19.967 -9.857 1.00 49.17 0 A 1
ATOM 239 N N7 . DG A 1 12 ? 14.368 21.958 -10.390 1.00 38.26 0 A 1
ATOM 240 C C8 . DG A 1 12 ? 15.663 22.289 -10.478 1.00 31.85 0 A 1
ATOM 241 N N9 . DG A 1 12 ? 16.493 21.220 -10.265 1.00 28.44 0 A 1
ATOM 242 O OP1 . DG A 1 12 ? 20.704 25.976 -7.408 1.00 45.83 0 A 1
ATOM 243 O OP2 . DG A 1 12 ? 18.763 26.851 -8.758 1.00 44.26 -1 A 1
ATOM 244 C C5' . DC B 1 13 ? 8.252 10.968 -9.854 1.00 71.49 0 B 1
ATOM 245 O O5' . DC B 1 13 ? 7.458 11.884 -9.070 1.00 66.23 0 B 1
ATOM 246 C C4' . DC B 1 13 ? 9.714 11.141 -9.512 1.00 56.82 0 B 1
ATOM 247 O O4' . DC B 1 13 ? 10.144 12.455 -9.908 1.00 57.92 0 B 1
ATOM 248 C C3' . DC B 1 13 ? 10.103 10.989 -8.055 1.00 34.34 0 B 1
ATOM 249 O O3' . DC B 1 13 ? 11.293 10.221 -7.904 1.00 42.11 0 B 1
ATOM 250 C C2' . DC B 1 13 ? 10.254 12.437 -7.607 1.00 29.08 0 B 1
ATOM 251 C C1' . DC B 1 13 ? 10.896 13.044 -8.837 1.00 38.40 0 B 1
ATOM 252 N N1 . DC B 1 13 ? 10.575 14.487 -8.944 1.00 34.33 0 B 1
ATOM 253 C C2 . DC B 1 13 ? 11.559 15.430 -9.006 1.00 22.98 0 B 1
ATOM 254 O O2 . DC B 1 13 ? 12.725 15.066 -8.932 1.00 50.83 0 B 1
ATOM 255 N N3 . DC B 1 13 ? 11.246 16.714 -9.193 1.00 37.14 0 B 1
ATOM 256 C C4 . DC B 1 13 ? 9.980 17.088 -9.334 1.00 42.60 0 B 1
ATOM 257 N N4 . DC B 1 13 ? 9.698 18.395 -9.589 1.00 54.91 0 B 1
ATOM 258 C C5 . DC B 1 13 ? 8.939 16.162 -9.274 1.00 56.67 0 B 1
ATOM 259 C C6 . DC B 1 13 ? 9.265 14.824 -9.080 1.00 49.21 0 B 1
ATOM 260 P P . DG B 1 14 ? 11.602 9.510 -6.502 1.00 60.42 0 B 1
ATOM 261 C C5' . DG B 1 14 ? 14.100 10.021 -7.156 1.00 34.84 0 B 1
ATOM 262 O O5' . DG B 1 14 ? 13.051 10.094 -6.177 1.00 50.94 0 B 1
ATOM 263 C C4' . DG B 1 14 ? 15.113 10.992 -6.657 1.00 48.06 0 B 1
ATOM 264 O O4' . DG B 1 14 ? 14.556 12.300 -6.755 1.00 37.01 0 B 1
ATOM 265 C C3' . DG B 1 14 ? 15.445 10.806 -5.189 1.00 50.58 0 B 1
ATOM 266 O O3' . DG B 1 14 ? 16.836 10.560 -5.013 1.00 51.98 0 B 1
ATOM 267 C C2' . DG B 1 14 ? 14.937 12.100 -4.529 1.00 40.32 0 B 1
ATOM 268 C C1' . DG B 1 14 ? 15.058 13.086 -5.671 1.00 46.69 0 B 1
ATOM 269 N N1 . DG B 1 14 ? 13.952 18.079 -5.973 1.00 19.52 0 B 1
ATOM 270 C C2 . DG B 1 14 ? 15.171 17.485 -6.107 1.00 18.48 0 B 1
ATOM 271 N N2 . DG B 1 14 ? 16.244 18.292 -6.325 1.00 36.58 0 B 1
ATOM 272 N N3 . DG B 1 14 ? 15.329 16.161 -5.986 1.00 46.96 0 B 1
ATOM 273 C C4 . DG B 1 14 ? 14.179 15.499 -5.721 1.00 35.70 0 B 1
ATOM 274 C C5 . DG B 1 14 ? 12.937 16.041 -5.558 1.00 26.27 0 B 1
ATOM 275 C C6 . DG B 1 14 ? 12.761 17.451 -5.710 1.00 40.82 0 B 1
ATOM 276 O O6 . DG B 1 14 ? 11.723 18.111 -5.630 1.00 44.39 0 B 1
ATOM 277 N N7 . DG B 1 14 ? 12.016 15.103 -5.269 1.00 37.54 0 B 1
ATOM 278 C C8 . DG B 1 14 ? 12.710 13.957 -5.259 1.00 23.48 0 B 1
ATOM 279 N N9 . DG B 1 14 ? 14.036 14.140 -5.536 1.00 29.17 0 B 1
ATOM 280 O OP1 . DG B 1 14 ? 11.666 8.032 -6.664 1.00 57.44 0 B 1
ATOM 281 O OP2 . DG B 1 14 ? 10.644 10.010 -5.494 1.00 46.07 -1 B 1
ATOM 282 P P . DC B 1 15 ? 17.478 10.380 -3.569 1.00 46.26 0 B 1
ATOM 283 C C5' . DC B 1 15 ? 18.963 12.531 -3.996 1.00 28.78 0 B 1
ATOM 284 O O5' . DC B 1 15 ? 17.957 11.865 -3.208 1.00 40.97 0 B 1
ATOM 285 C C4' . DC B 1 15 ? 18.936 13.958 -3.536 1.00 32.84 0 B 1
ATOM 286 O O4' . DC B 1 15 ? 17.592 14.409 -3.622 1.00 37.24 0 B 1
ATOM 287 C C3' . DC B 1 15 ? 19.253 14.139 -2.066 1.00 43.98 0 B 1
ATOM 288 O O3' . DC B 1 15 ? 20.659 14.219 -1.858 1.00 40.90 0 B 1
ATOM 289 C C2' . DC B 1 15 ? 18.520 15.417 -1.728 1.00 36.26 0 B 1
ATOM 290 C C1' . DC B 1 15 ? 17.545 15.602 -2.872 1.00 20.54 0 B 1
ATOM 291 N N1 . DC B 1 15 ? 16.145 15.696 -2.428 1.00 23.10 0 B 1
ATOM 292 C C2 . DC B 1 15 ? 15.507 16.886 -2.558 1.00 32.12 0 B 1
ATOM 293 O O2 . DC B 1 15 ? 16.162 17.846 -2.957 1.00 30.04 0 B 1
ATOM 294 N N3 . DC B 1 15 ? 14.209 16.983 -2.264 1.00 32.94 0 B 1
ATOM 295 C C4 . DC B 1 15 ? 13.536 15.919 -1.825 1.00 16.43 0 B 1
ATOM 296 N N4 . DC B 1 15 ? 12.205 16.017 -1.553 1.00 34.91 0 B 1
ATOM 297 C C5 . DC B 1 15 ? 14.164 14.689 -1.652 1.00 22.75 0 B 1
ATOM 298 C C6 . DC B 1 15 ? 15.509 14.584 -1.979 1.00 26.42 0 B 1
ATOM 299 O OP1 . DC B 1 15 ? 18.665 9.516 -3.729 1.00 46.07 0 B 1
ATOM 300 O OP2 . DC B 1 15 ? 16.427 9.940 -2.633 1.00 40.43 -1 B 1
ATOM 301 P P . DG B 1 16 ? 21.304 14.529 -0.436 1.00 42.39 0 B 1
ATOM 302 C C5' . DG B 1 16 ? 22.177 16.876 -1.212 1.00 33.20 0 B 1
ATOM 303 O O5' . DG B 1 16 ? 21.306 16.117 -0.363 1.00 45.08 0 B 1
ATOM 304 C C4' . DG B 1 16 ? 21.739 18.292 -1.021 1.00 24.95 0 B 1
ATOM 305 O O4' . DG B 1 16 ? 20.305 18.225 -1.048 1.00 32.83 0 B 1
ATOM 306 C C3' . DG B 1 16 ? 22.101 18.959 0.293 1.00 41.12 0 B 1
ATOM 307 O O3' . DG B 1 16 ? 22.592 20.293 0.097 1.00 53.45 0 B 1
ATOM 308 C C2' . DG B 1 16 ? 20.820 18.829 1.121 1.00 28.93 0 B 1
ATOM 309 C C1' . DG B 1 16 ? 19.765 18.985 0.046 1.00 37.44 0 B 1
ATOM 310 N N1 . DG B 1 16 ? 14.712 19.349 0.418 1.00 17.72 0 B 1
ATOM 311 C C2 . DG B 1 16 ? 15.606 20.268 -0.027 1.00 16.23 0 B 1
ATOM 312 N N2 . DG B 1 16 ? 15.134 21.493 -0.382 1.00 33.42 0 B 1
ATOM 313 N N3 . DG B 1 16 ? 16.912 20.017 -0.072 1.00 26.37 0 B 1
ATOM 314 C C4 . DG B 1 16 ? 17.236 18.794 0.384 1.00 31.72 0 B 1
ATOM 315 C C5 . DG B 1 16 ? 16.400 17.832 0.868 1.00 9.96 0 B 1
ATOM 316 C C6 . DG B 1 16 ? 14.996 18.090 0.882 1.00 18.10 0 B 1
ATOM 317 O O6 . DG B 1 16 ? 14.082 17.378 1.280 1.00 31.13 0 B 1
ATOM 318 N N7 . DG B 1 16 ? 17.080 16.744 1.281 1.00 24.14 0 B 1
ATOM 319 C C8 . DG B 1 16 ? 18.363 17.062 1.039 1.00 17.96 0 B 1
ATOM 320 N N9 . DG B 1 16 ? 18.513 18.299 0.468 1.00 17.75 0 B 1
ATOM 321 O OP1 . DG B 1 16 ? 22.696 14.087 -0.524 1.00 60.41 0 B 1
ATOM 322 O OP2 . DG B 1 16 ? 20.488 13.954 0.650 1.00 51.09 -1 B 1
ATOM 323 P P . DA B 1 17 ? 22.904 21.238 1.339 1.00 46.87 0 B 1
ATOM 324 C C5' . DA B 1 17 ? 21.216 22.833 0.200 1.00 30.37 0 B 1
ATOM 325 O O5' . DA B 1 17 ? 21.577 22.107 1.390 1.00 39.51 0 B 1
ATOM 326 C C4' . DA B 1 17 ? 20.101 23.788 0.484 1.00 35.43 0 B 1
ATOM 327 O O4' . DA B 1 17 ? 18.913 23.054 0.816 1.00 43.05 0 B 1
ATOM 328 C C3' . DA B 1 17 ? 20.347 24.743 1.633 1.00 44.50 0 B 1
ATOM 329 O O3' . DA B 1 17 ? 19.732 26.010 1.411 1.00 78.59 0 B 1
ATOM 330 C C2' . DA B 1 17 ? 19.752 23.945 2.791 1.00 44.42 0 B 1
ATOM 331 C C1' . DA B 1 17 ? 18.497 23.393 2.145 1.00 42.55 0 B 1
ATOM 332 N N1 . DA B 1 17 ? 14.482 20.557 3.593 1.00 35.01 0 B 1
ATOM 333 C C2 . DA B 1 17 ? 14.597 21.801 3.118 1.00 36.47 0 B 1
ATOM 334 N N3 . DA B 1 17 ? 15.700 22.472 2.783 1.00 38.96 0 B 1
ATOM 335 C C4 . DA B 1 17 ? 16.791 21.706 3.002 1.00 28.24 0 B 1
ATOM 336 C C5 . DA B 1 17 ? 16.842 20.424 3.488 1.00 18.80 0 B 1
ATOM 337 C C6 . DA B 1 17 ? 15.577 19.817 3.786 1.00 32.58 0 B 1
ATOM 338 N N6 . DA B 1 17 ? 15.448 18.537 4.242 1.00 29.54 0 B 1
ATOM 339 N N7 . DA B 1 17 ? 18.114 19.984 3.584 1.00 27.60 0 B 1
ATOM 340 C C8 . DA B 1 17 ? 18.847 21.020 3.133 1.00 20.07 0 B 1
ATOM 341 N N9 . DA B 1 17 ? 18.079 22.095 2.758 1.00 34.56 0 B 1
ATOM 342 O OP1 . DA B 1 17 ? 23.994 22.183 1.025 1.00 47.75 0 B 1
ATOM 343 O OP2 . DA B 1 17 ? 23.104 20.390 2.538 1.00 46.81 -1 B 1
ATOM 344 P P . DA B 1 18 ? 19.803 27.141 2.526 1.00 46.11 0 B 1
ATOM 345 C C5' . DA B 1 18 ? 17.203 27.028 2.452 1.00 40.72 0 B 1
ATOM 346 O O5' . DA B 1 18 ? 18.396 26.939 3.241 1.00 40.83 0 B 1
ATOM 347 C C4' . DA B 1 18 ? 16.035 26.958 3.388 1.00 66.52 0 B 1
ATOM 348 O O4' . DA B 1 18 ? 15.856 25.612 3.850 1.00 44.25 0 B 1
ATOM 349 C C3' . DA B 1 18 ? 16.101 27.861 4.615 1.00 63.34 0 B 1
ATOM 350 O O3' . DA B 1 18 ? 14.890 28.608 4.757 1.00 55.65 0 B 1
ATOM 351 C C2' . DA B 1 18 ? 16.368 26.844 5.724 1.00 34.49 0 B 1
ATOM 352 C C1' . DA B 1 18 ? 15.561 25.655 5.243 1.00 29.45 0 B 1
ATOM 353 N N1 . DA B 1 18 ? 14.389 20.994 7.036 1.00 20.81 0 B 1
ATOM 354 C C2 . DA B 1 18 ? 13.636 22.041 6.708 1.00 26.77 0 B 1
ATOM 355 N N3 . DA B 1 18 ? 14.019 23.234 6.265 1.00 26.83 0 B 1
ATOM 356 C C4 . DA B 1 18 ? 15.367 23.291 6.174 1.00 27.48 0 B 1
ATOM 357 C C5 . DA B 1 18 ? 16.266 22.309 6.480 1.00 21.66 0 B 1
ATOM 358 C C6 . DA B 1 18 ? 15.715 21.073 6.933 1.00 17.93 0 B 1
ATOM 359 N N6 . DA B 1 18 ? 16.483 19.994 7.243 1.00 20.37 0 B 1
ATOM 360 N N7 . DA B 1 18 ? 17.539 22.706 6.276 1.00 20.58 0 B 1
ATOM 361 C C8 . DA B 1 18 ? 17.411 23.967 5.830 1.00 16.51 0 B 1
ATOM 362 N N9 . DA B 1 18 ? 16.104 24.373 5.755 1.00 20.03 0 B 1
ATOM 363 O OP1 . DA B 1 18 ? 19.796 28.478 1.888 1.00 49.20 0 B 1
ATOM 364 O OP2 . DA B 1 18 ? 20.953 26.858 3.426 1.00 43.48 -1 B 1
ATOM 365 P P . DT B 1 19 ? 14.604 29.545 6.020 1.00 48.40 0 B 1
ATOM 366 C C5' . DT B 1 19 ? 12.398 28.171 6.303 1.00 55.04 0 B 1
ATOM 367 O O5' . DT B 1 19 ? 13.633 28.628 6.885 1.00 53.86 0 B 1
ATOM 368 C C4' . DT B 1 19 ? 11.809 27.217 7.302 1.00 44.86 0 B 1
ATOM 369 O O4' . DT B 1 19 ? 12.767 26.184 7.534 1.00 48.52 0 B 1
ATOM 370 C C3' . DT B 1 19 ? 11.515 27.822 8.669 1.00 41.77 0 B 1
ATOM 371 O O3' . DT B 1 19 ? 10.103 27.952 8.891 1.00 57.02 0 B 1
ATOM 372 C C2' . DT B 1 19 ? 12.267 26.906 9.630 1.00 39.28 0 B 1
ATOM 373 C C1' . DT B 1 19 ? 12.426 25.645 8.799 1.00 27.68 0 B 1
ATOM 374 N N1 . DT B 1 19 ? 13.609 24.850 9.205 1.00 21.67 0 B 1
ATOM 375 C C2 . DT B 1 19 ? 13.442 23.575 9.656 1.00 31.71 0 B 1
ATOM 376 O O2 . DT B 1 19 ? 12.311 23.101 9.802 1.00 36.00 0 B 1
ATOM 377 N N3 . DT B 1 19 ? 14.551 22.825 9.913 1.00 24.66 0 B 1
ATOM 378 C C4 . DT B 1 19 ? 15.815 23.321 9.777 1.00 40.64 0 B 1
ATOM 379 O O4 . DT B 1 19 ? 16.755 22.570 10.029 1.00 31.47 0 B 1
ATOM 380 C C5 . DT B 1 19 ? 15.972 24.647 9.362 1.00 31.79 0 B 1
ATOM 381 C C6 . DT B 1 19 ? 14.844 25.405 9.048 1.00 14.35 0 B 1
ATOM 382 C C7 . DT B 1 19 ? 17.345 25.239 9.234 1.00 30.05 0 B 1
ATOM 383 O OP1 . DT B 1 19 ? 13.792 30.696 5.582 1.00 50.18 0 B 1
ATOM 384 O OP2 . DT B 1 19 ? 15.852 29.836 6.749 1.00 44.42 -1 B 1
ATOM 385 P P . DT B 1 20 ? 9.513 28.533 10.260 1.00 48.24 0 B 1
ATOM 386 C C5' . DT B 1 20 ? 8.576 26.148 10.664 1.00 50.41 0 B 1
ATOM 387 O O5' . DT B 1 20 ? 9.395 27.223 11.153 1.00 36.57 0 B 1
ATOM 388 C C4' . DT B 1 20 ? 8.655 25.060 11.678 1.00 32.08 0 B 1
ATOM 389 O O4' . DT B 1 20 ? 10.003 24.615 11.764 1.00 48.38 0 B 1
ATOM 390 C C3' . DT B 1 20 ? 8.272 25.471 13.087 1.00 29.99 0 B 1
ATOM 391 O O3' . DT B 1 20 ? 7.199 24.657 13.553 1.00 45.14 0 B 1
ATOM 392 C C2' . DT B 1 20 ? 9.586 25.307 13.860 1.00 32.42 0 B 1
ATOM 393 C C1' . DT B 1 20 ? 10.190 24.148 13.089 1.00 39.56 0 B 1
ATOM 394 N N1 . DT B 1 20 ? 11.660 24.070 13.205 1.00 20.36 0 B 1
ATOM 395 C C2 . DT B 1 20 ? 12.257 22.880 13.486 1.00 27.55 0 B 1
ATOM 396 O O2 . DT B 1 20 ? 11.583 21.866 13.691 1.00 38.33 0 B 1
ATOM 397 N N3 . DT B 1 20 ? 13.620 22.829 13.497 1.00 29.60 0 B 1
ATOM 398 C C4 . DT B 1 20 ? 14.402 23.914 13.225 1.00 30.11 0 B 1
ATOM 399 O O4 . DT B 1 20 ? 15.625 23.764 13.252 1.00 32.92 0 B 1
ATOM 400 C C5 . DT B 1 20 ? 13.774 25.126 12.933 1.00 24.11 0 B 1
ATOM 401 C C6 . DT B 1 20 ? 12.385 25.187 12.926 1.00 19.78 0 B 1
ATOM 402 C C7 . DT B 1 20 ? 14.563 26.358 12.612 1.00 23.96 0 B 1
ATOM 403 O OP1 . DT B 1 20 ? 8.145 29.007 9.998 1.00 41.28 0 B 1
ATOM 404 O OP2 . DT B 1 20 ? 10.455 29.513 10.841 1.00 53.39 -1 B 1
ATOM 405 P P . DC B 1 21 ? 6.594 24.823 15.016 1.00 54.73 0 B 1
ATOM 406 C C5' . DC B 1 21 ? 7.331 22.352 15.433 1.00 60.86 0 B 1
ATOM 407 O O5' . DC B 1 21 ? 7.409 23.731 15.839 1.00 50.67 0 B 1
ATOM 408 C C4' . DC B 1 21 ? 8.100 21.598 16.461 1.00 40.86 0 B 1
ATOM 409 O O4' . DC B 1 21 ? 9.478 21.902 16.263 1.00 36.88 0 B 1
ATOM 410 C C3' . DC B 1 21 ? 7.766 22.045 17.879 1.00 53.80 0 B 1
ATOM 411 O O3' . DC B 1 21 ? 7.036 21.041 18.611 1.00 79.04 0 B 1
ATOM 412 C C2' . DC B 1 21 ? 9.123 22.414 18.469 1.00 48.43 0 B 1
ATOM 413 C C1' . DC B 1 21 ? 10.107 21.743 17.523 1.00 36.51 0 B 1
ATOM 414 N N1 . DC B 1 21 ? 11.328 22.556 17.331 1.00 24.72 0 B 1
ATOM 415 C C2 . DC B 1 21 ? 12.534 21.939 17.329 1.00 30.96 0 B 1
ATOM 416 O O2 . DC B 1 21 ? 12.560 20.731 17.579 1.00 34.53 0 B 1
ATOM 417 N N3 . DC B 1 21 ? 13.639 22.639 17.035 1.00 31.69 0 B 1
ATOM 418 C C4 . DC B 1 21 ? 13.560 23.938 16.739 1.00 21.53 0 B 1
ATOM 419 N N4 . DC B 1 21 ? 14.685 24.628 16.404 1.00 23.72 0 B 1
ATOM 420 C C5 . DC B 1 21 ? 12.338 24.609 16.736 1.00 30.74 0 B 1
ATOM 421 C C6 . DC B 1 21 ? 11.193 23.878 17.035 1.00 27.58 0 B 1
ATOM 422 O OP1 . DC B 1 21 ? 5.169 24.424 14.987 1.00 53.98 0 B 1
ATOM 423 O OP2 . DC B 1 21 ? 6.870 26.189 15.511 1.00 65.53 -1 B 1
ATOM 424 P P . DG B 1 22 ? 6.509 21.324 20.099 1.00 56.50 0 B 1
ATOM 425 C C5' . DG B 1 22 ? 8.216 19.559 21.073 1.00 73.42 0 B 1
ATOM 426 O O5' . DG B 1 22 ? 7.767 20.924 20.993 1.00 66.30 0 B 1
ATOM 427 C C4' . DG B 1 22 ? 9.422 19.557 21.977 1.00 42.96 0 B 1
ATOM 428 O O4' . DG B 1 22 ? 10.493 20.260 21.319 1.00 52.87 0 B 1
ATOM 429 C C3' . DG B 1 22 ? 9.267 20.267 23.325 1.00 38.51 0 B 1
ATOM 430 O O3' . DG B 1 22 ? 10.088 19.657 24.293 1.00 60.28 0 B 1
ATOM 431 C C2' . DG B 1 22 ? 9.751 21.670 22.990 1.00 22.00 0 B 1
ATOM 432 C C1' . DG B 1 22 ? 10.988 21.226 22.256 1.00 24.85 0 B 1
ATOM 433 N N1 . DG B 1 22 ? 15.268 22.983 20.308 1.00 25.22 0 B 1
ATOM 434 C C2 . DG B 1 22 ? 15.023 21.776 20.891 1.00 11.07 0 B 1
ATOM 435 N N2 . DG B 1 22 ? 16.066 20.914 21.038 1.00 25.92 0 B 1
ATOM 436 N N3 . DG B 1 22 ? 13.815 21.452 21.350 1.00 19.05 0 B 1
ATOM 437 C C4 . DG B 1 22 ? 12.902 22.429 21.151 1.00 23.69 0 B 1
ATOM 438 C C5 . DG B 1 22 ? 13.072 23.653 20.580 1.00 25.66 0 B 1
ATOM 439 C C6 . DG B 1 22 ? 14.370 24.003 20.102 1.00 28.34 0 B 1
ATOM 440 O O6 . DG B 1 22 ? 14.747 25.057 19.585 1.00 31.85 0 B 1
ATOM 441 N N7 . DG B 1 22 ? 11.921 24.362 20.566 1.00 39.18 0 B 1
ATOM 442 C C8 . DG B 1 22 ? 11.037 23.545 21.159 1.00 23.91 0 B 1
ATOM 443 N N9 . DG B 1 22 ? 11.599 22.357 21.543 1.00 25.91 0 B 1
ATOM 444 O OP1 . DG B 1 22 ? 5.387 20.397 20.396 1.00 50.81 0 B 1
ATOM 445 O OP2 . DG B 1 22 ? 6.235 22.774 20.306 1.00 53.84 -1 B 1
ATOM 446 P P . DC B 1 23 ? 9.477 18.627 25.340 1.00 55.93 0 B 1
ATOM 447 C C5' . DC B 1 23 ? 11.688 17.170 25.310 1.00 63.13 0 B 1
ATOM 448 O O5' . DC B 1 23 ? 10.807 18.067 26.034 1.00 59.70 0 B 1
ATOM 449 C C4' . DC B 1 23 ? 13.115 17.573 25.593 1.00 27.86 0 B 1
ATOM 450 O O4' . DC B 1 23 ? 13.284 18.804 24.893 1.00 50.51 0 B 1
ATOM 451 C C3' . DC B 1 23 ? 13.441 17.879 27.059 1.00 46.45 0 B 1
ATOM 452 O O3' . DC B 1 23 ? 14.341 16.938 27.677 1.00 57.21 0 B 1
ATOM 453 C C2' . DC B 1 23 ? 13.928 19.322 27.025 1.00 68.01 0 B 1
ATOM 454 C C1' . DC B 1 23 ? 14.312 19.508 25.568 1.00 32.05 0 B 1
ATOM 455 N N1 . DC B 1 23 ? 14.144 20.932 25.170 1.00 23.28 0 B 1
ATOM 456 C C2 . DC B 1 23 ? 15.199 21.595 24.630 1.00 20.62 0 B 1
ATOM 457 O O2 . DC B 1 23 ? 16.257 20.984 24.504 1.00 29.62 0 B 1
ATOM 458 N N3 . DC B 1 23 ? 15.067 22.877 24.257 1.00 39.00 0 B 1
ATOM 459 C C4 . DC B 1 23 ? 13.898 23.510 24.404 1.00 30.44 0 B 1
ATOM 460 N N4 . DC B 1 23 ? 13.771 24.813 24.018 1.00 34.66 0 B 1
ATOM 461 C C5 . DC B 1 23 ? 12.795 22.866 24.967 1.00 27.74 0 B 1
ATOM 462 C C6 . DC B 1 23 ? 12.935 21.540 25.359 1.00 24.58 0 B 1
ATOM 463 O OP1 . DC B 1 23 ? 8.767 17.534 24.627 1.00 45.14 0 B 1
ATOM 464 O OP2 . DC B 1 23 ? 8.670 19.409 26.312 1.00 41.61 -1 B 1
ATOM 465 P P . DG B 1 24 ? 14.658 17.064 29.247 1.00 53.70 0 B 1
ATOM 466 C C5' . DG B 1 24 ? 17.243 17.320 28.742 1.00 46.57 0 B 1
ATOM 467 O O5' . DG B 1 24 ? 16.033 17.880 29.284 1.00 34.06 0 B 1
ATOM 468 C C4' . DG B 1 24 ? 18.208 18.464 28.758 1.00 50.89 0 B 1
ATOM 469 O O4' . DG B 1 24 ? 17.716 19.428 27.829 1.00 32.02 0 B 1
ATOM 470 C C3' . DG B 1 24 ? 18.230 19.236 30.058 1.00 30.38 0 B 1
ATOM 471 O O3' . DG B 1 24 ? 18.978 18.583 31.084 1.00 61.06 0 B 1
ATOM 472 C C2' . DG B 1 24 ? 18.885 20.519 29.578 1.00 53.33 0 B 1
ATOM 473 C C1' . DG B 1 24 ? 18.276 20.693 28.188 1.00 35.03 0 B 1
ATOM 474 N N1 . DG B 1 24 ? 16.926 25.257 26.604 1.00 15.78 0 B 1
ATOM 475 C C2 . DG B 1 24 ? 18.157 24.666 26.579 1.00 11.92 0 B 1
ATOM 476 N N2 . DG B 1 24 ? 19.208 25.386 26.096 1.00 29.76 0 B 1
ATOM 477 N N3 . DG B 1 24 ? 18.350 23.438 27.053 1.00 21.95 0 B 1
ATOM 478 C C4 . DG B 1 24 ? 17.231 22.893 27.570 1.00 13.89 0 B 1
ATOM 479 C C5 . DG B 1 24 ? 15.990 23.436 27.673 1.00 16.87 0 B 1
ATOM 480 C C6 . DG B 1 24 ? 15.765 24.729 27.117 1.00 19.36 0 B 1
ATOM 481 O O6 . DG B 1 24 ? 14.719 25.373 27.067 1.00 33.30 0 B 1
ATOM 482 N N7 . DG B 1 24 ? 15.129 22.614 28.308 1.00 44.08 0 B 1
ATOM 483 C C8 . DG B 1 24 ? 15.874 21.536 28.580 1.00 30.86 0 B 1
ATOM 484 N N9 . DG B 1 24 ? 17.164 21.659 28.139 1.00 30.25 0 B 1
ATOM 485 O OP1 . DG B 1 24 ? 14.863 15.717 29.825 1.00 61.79 0 B 1
ATOM 486 O OP2 . DG B 1 24 ? 13.633 17.912 29.920 1.00 36.06 -1 B 1
HETATM 487 O O . HOH C 2 25 ? 19.736 30.706 18.656 1.00 51.86 0 A 1
HETATM 488 O O . HOH C 2 31 ? 10.879 26.039 -8.906 1.00 47.07 0 A 1
HETATM 489 O O . HOH C 2 32 ? 18.320 24.816 14.948 1.00 47.72 0 A 1
HETATM 490 O O . HOH C 2 36 ? 9.821 13.442 8.572 1.00 45.76 0 A 1
HETATM 491 O O . HOH C 2 38 ? 8.915 15.602 -3.388 1.00 50.97 0 A 1
HETATM 492 O O . HOH C 2 39 ? 17.505 26.340 -10.581 1.00 51.90 0 A 1
HETATM 493 O O . HOH C 2 40 ? 28.496 23.515 18.349 1.00 45.37 0 A 1
HETATM 494 O O . HOH C 2 41 ? 11.346 24.175 4.920 1.00 45.03 0 A 1
HETATM 495 O O . HOH C 2 50 ? 9.098 16.119 1.277 1.00 51.80 0 A 1
HETATM 496 O O . HOH C 2 54 ? 16.488 29.195 19.861 1.00 54.92 0 A 1
HETATM 497 O O . HOH C 2 55 ? 22.078 25.894 15.396 1.00 62.20 0 A 1
HETATM 498 O O . HOH C 2 58 ? 7.133 14.448 4.647 1.00 57.15 0 A 1
HETATM 499 O O . HOH C 2 62 ? 14.095 28.151 21.614 1.00 53.85 0 A 1
HETATM 500 O O . HOH C 2 64 ? 27.164 31.710 20.331 1.00 56.84 0 A 1
HETATM 501 O O . HOH C 2 65 ? 15.295 11.873 12.209 1.00 57.34 0 A 1
HETATM 502 O O . HOH C 2 66 ? 18.180 16.604 9.966 1.00 61.52 0 A 1
HETATM 503 O O . HOH C 2 67 ? 6.216 17.035 1.672 1.00 62.91 0 A 1
HETATM 504 O O . HOH C 2 70 ? 7.055 25.519 -2.053 1.00 55.96 0 A 1
HETATM 505 O O . HOH C 2 74 ? 12.454 11.354 9.415 1.00 68.40 0 A 1
HETATM 506 O O . HOH C 2 76 ? 11.492 29.103 20.090 1.00 67.46 0 A 1
HETATM 507 O O . HOH C 2 77 ? 14.220 29.189 20.392 1.00 48.22 0 A 1
HETATM 508 O O . HOH C 2 78 ? 6.138 19.149 13.844 1.00 62.26 0 A 1
HETATM 509 O O . HOH C 2 79 ? 17.315 9.638 13.392 1.00 65.70 0 A 1
HETATM 510 O O . HOH C 2 80 ? 18.951 25.757 12.989 1.00 66.47 0 A 1
HETATM 511 O O . HOH C 2 81 ? 20.460 18.861 12.664 1.00 63.00 0 A 1
HETATM 512 O O . HOH C 2 82 ? 3.529 19.338 12.599 1.00 65.32 0 A 1
HETATM 513 O O . HOH C 2 84 ? 16.223 12.351 9.406 1.00 63.59 0 A 1
HETATM 514 O O . HOH C 2 85 ? 12.989 29.901 -9.282 1.00 64.97 0 A 1
HETATM 515 O O . HOH C 2 86 ? 17.510 30.569 18.702 1.00 61.79 0 A 1
HETATM 516 O O . HOH C 2 87 ? 25.377 12.891 19.011 1.00 73.80 0 A 1
HETATM 517 O O . HOH C 2 88 ? 13.610 15.742 18.593 1.00 69.48 0 A 1
HETATM 518 O O . HOH C 2 89 ? 18.012 32.598 15.262 1.00 67.52 0 A 1
HETATM 519 O O . HOH C 2 92 ? 8.723 13.216 6.359 1.00 70.66 0 A 1
HETATM 520 O O . HOH C 2 97 ? 18.779 13.814 11.704 1.00 71.14 0 A 1
HETATM 521 O O . HOH C 2 99 ? 12.227 25.192 -10.299 1.00 70.46 0 A 1
HETATM 522 O O . HOH C 2 100 ? 12.292 30.291 27.102 1.00 73.04 0 A 1
HETATM 523 O O . HOH C 2 102 ? 20.170 23.000 12.999 1.00 73.63 0 A 1
HETATM 524 O O . HOH D 2 26 ? 14.354 27.683 16.369 1.00 40.92 0 B 1
HETATM 525 O O . HOH D 2 27 ? 9.864 22.509 9.123 1.00 39.67 0 B 1
HETATM 526 O O . HOH D 2 28 ? 19.526 19.144 7.481 1.00 51.15 0 B 1
HETATM 527 O O . HOH D 2 29 ? 25.754 12.744 -1.835 1.00 51.80 0 B 1
HETATM 528 O O . HOH D 2 30 ? 7.478 20.604 -9.000 1.00 44.82 0 B 1
HETATM 529 O O . HOH D 2 33 ? 9.012 24.586 7.009 1.00 43.42 0 B 1
HETATM 530 O O . HOH D 2 34 ? 10.152 19.917 13.381 1.00 48.04 0 B 1
HETATM 531 O O . HOH D 2 35 ? 7.764 21.397 11.075 1.00 41.41 0 B 1
HETATM 532 O O . HOH D 2 37 ? 13.239 14.428 2.049 1.00 55.54 0 B 1
HETATM 533 O O . HOH D 2 42 ? 12.601 23.000 29.167 1.00 51.36 0 B 1
HETATM 534 O O . HOH D 2 43 ? 10.440 25.542 24.443 1.00 56.79 0 B 1
HETATM 535 O O . HOH D 2 44 ? 16.979 28.689 16.284 1.00 50.41 0 B 1
HETATM 536 O O . HOH D 2 45 ? 4.794 22.966 13.368 1.00 45.95 0 B 1
HETATM 537 O O . HOH D 2 46 ? 4.208 25.591 10.828 1.00 51.06 0 B 1
HETATM 538 O O . HOH D 2 47 ? 6.362 24.374 9.188 1.00 51.85 0 B 1
HETATM 539 O O . HOH D 2 48 ? 7.688 28.411 7.883 1.00 49.33 0 B 1
HETATM 540 O O . HOH D 2 49 ? 18.379 17.074 4.809 1.00 50.72 0 B 1
HETATM 541 O O . HOH D 2 51 ? 26.464 23.826 1.396 1.00 53.21 0 B 1
HETATM 542 O O . HOH D 2 52 ? 11.014 11.318 -2.909 1.00 51.36 0 B 1
HETATM 543 O O . HOH D 2 53 ? 9.476 27.782 26.498 1.00 60.04 0 B 1
HETATM 544 O O . HOH D 2 56 ? 5.522 27.411 9.017 1.00 62.36 0 B 1
HETATM 545 O O . HOH D 2 57 ? 18.456 28.409 8.821 1.00 59.63 0 B 1
HETATM 546 O O . HOH D 2 59 ? 22.610 15.544 3.846 1.00 57.52 0 B 1
HETATM 547 O O . HOH D 2 60 ? 24.407 13.162 2.229 1.00 52.30 0 B 1
HETATM 548 O O . HOH D 2 61 ? 7.988 11.556 -2.976 1.00 59.14 0 B 1
HETATM 549 O O . HOH D 2 63 ? 14.213 27.722 18.905 1.00 57.29 0 B 1
HETATM 550 O O . HOH D 2 68 ? 19.101 11.433 1.080 1.00 59.79 0 B 1
HETATM 551 O O . HOH D 2 69 ? 12.607 10.967 0.261 1.00 60.87 0 B 1
HETATM 552 O O . HOH D 2 71 ? 15.062 26.024 -0.766 1.00 56.35 0 B 1
HETATM 553 O O . HOH D 2 72 ? 16.380 6.413 -4.784 1.00 59.07 0 B 1
HETATM 554 O O . HOH D 2 73 ? 14.059 5.751 -6.198 1.00 56.68 0 B 1
HETATM 555 O O . HOH D 2 75 ? 9.613 17.039 29.793 1.00 63.48 0 B 1
HETATM 556 O O . HOH D 2 83 ? 25.276 15.890 -1.301 1.00 64.53 0 B 1
HETATM 557 O O . HOH D 2 90 ? 2.622 23.030 10.332 1.00 68.01 0 B 1
HETATM 558 O O . HOH D 2 91 ? 19.701 22.518 9.511 1.00 70.25 0 B 1
HETATM 559 O O . HOH D 2 93 ? 19.727 29.488 6.155 1.00 69.43 0 B 1
HETATM 560 O O . HOH D 2 94 ? 17.241 11.563 4.511 1.00 72.18 0 B 1
HETATM 561 O O . HOH D 2 95 ? 26.545 19.404 -1.091 1.00 70.14 0 B 1
HETATM 562 O O . HOH D 2 96 ? 9.697 18.315 14.885 1.00 69.10 0 B 1
HETATM 563 O O . HOH D 2 98 ? 14.292 25.159 2.287 1.00 68.44 0 B 1
HETATM 564 O O . HOH D 2 101 ? 9.396 27.092 16.993 1.00 72.98 0 B 1
HETATM 565 O O . HOH D 2 103 ? 19.987 21.691 6.802 1.00 72.66 0 B 1
HETATM 566 O O . HOH D 2 104 ? 18.692 31.584 4.596 1.00 72.98 0 B 1

1408
testing/data/1k5e.cif Normal file
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30
testing/tests/api/wizard/nucmutagenesis.py
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@@ -33,21 +33,41 @@ class TestNucMutagenesis(testing.PyMOLTestCase):
"/1rna/A/A/14 & name C4'")
cmd.wizard("nucmutagenesis")
cmd.select("/1rna/A/A/14")
cmd.get_wizard().mode = "GTP"
cmd.get_wizard().mode = "(d)G"
cmd.get_wizard().do_select("sele")
cmd.get_wizard().apply()
des_dihedral = cmd.get_dihedral("/1rna/A/A/14 & name O4'",
"/1rna/A/A/14 & name C1'",
"/1rna/A/A/14 & name N9",
"/1rna/A/A/14 & name C4'")
self.assertAlmostEqual(src_dihedral, des_dihedral, delta=2.0)
self.assertAlmostEqual(src_dihedral, des_dihedral, delta = 2.0)
def test_canGetNewSequence(self):
def test_CanGetNewRNASequence(self):
cmd.load(self.datafile("1rna.cif"))
cmd.wizard("nucmutagenesis")
cmd.select("/1rna/A/A/14")
cmd.get_wizard().mode = "GTP"
cmd.get_wizard().mode = "(d)G"
cmd.get_wizard().do_select("sele")
cmd.get_wizard().apply()
seq = cmd.get_fastastr("/1rna/A/A").splitlines()[1]
self.assertEqual(seq, "UUAUAUAUAUAUAG")
self.assertEqual(seq, "UUAUAUAUAUAUAG")
def test_CanGetNewDNASequence(self):
cmd.load(self.datafile("1bna.cif"))
cmd.wizard("nucmutagenesis")
cmd.select("/1bna/A/A/1")
cmd.get_wizard().mode = "(d)A"
cmd.get_wizard().do_select("sele")
cmd.get_wizard().apply()
seq = cmd.get_fastastr("/1bna/A/A").splitlines()[1]
self.assertEqual(seq, "AGCGAATTCGCG")
def test_CanMutateNonCanonicalNucleo(self):
cmd.load(self.datafile("1k5e.cif"))
cmd.wizard("nucmutagenesis")
cmd.select("/1k5e/A/A/6")
cmd.get_wizard().mode = "(d)A"
cmd.get_wizard().do_select("sele")
cmd.get_wizard().apply()
seq = cmd.get_fastastr("/1k5e/A/A").splitlines()[1]
self.assertEqual(seq, "CGGACAAGAAG")