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DRAFT: docs for release, soft code hbplus (#699)

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* documentation for release draft start

* trajectory.png

* update readme to rf3-lab paths, annotate TODOs

* add input_pdbs, demo.json

* Update README.md example pngs

* tasks pngs

* Update README.md - restructure pngs and application links

* Update README.md mc

* Update README.md add ipynb kernel export instruction

* mpnn all.ipynb

* open and edit tutorial.zip

* Update run_inf_tutorial.sh

* remove outputs

* cleanup

* rename

* soft code hbplus executable

* rename modelforge to foundry (rfd3) README

* fix: enabled running rfd3, mpnn inline

* cleanup

* remove todos, one remaining

* clear outputs

---------

Co-authored-by: Raktim Mitra <raktim@digs>
Co-authored-by: Raktim Mitra <raktim@localhost>
Co-authored-by: Rohith Krishna <rohith@localhost>
Co-authored-by: Raktim Mitra <raktim@digs.ipd.uw.edu>
This commit is contained in:
Raktim Mitra
2025-12-01 18:23:02 -08:00
committed by GitHub
parent f3c01c2a2d
commit 152a0911f1
31 changed files with 13013 additions and 479 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
.env
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@@ -27,6 +27,10 @@ LOCAL_MSA_DIRS=
# --- External tools ---
# The HBPLUS_PATH is a path to the hbplus tool, which is used for hydrogen bond calculation
# during training and during metrics computation.
# Example: /path/to/hbplus
HBPLUS_PATH=
# The `X3DNA_PATH` is a path to the x3dna tool, which is used for DNA structure analysis.
# Example: /path/to/x3dna-v2.4

3
.gitmodules vendored
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@@ -1,3 +0,0 @@
[submodule "lib/atomworks"]
path = lib/atomworks
url = git@github.com:baker-laboratory/atomworks-dev.git

617
docs/releases/rfd3/examples/input_pdbs/1bna.pdb Executable file
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@@ -0,0 +1,617 @@
HEADER DNA 26-JAN-81 XXXX
TITLE STRUCTURE OF A B-DNA DODECAMER. CONFORMATION AND DYNAMICS
KEYWDS B-DNA, DOUBLE HELIX, DNA
EXPDTA X-RAY DIFFRACTION
AUTHOR H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,R.E.DICKERSON
JRNL AUTH H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
JRNL AUTH 2 R.E.DICKERSON
JRNL TITL STRUCTURE OF A B-DNA DODECAMER: CONFORMATION AND DYNAMICS.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 78 2179 1981
JRNL REFN ISSN 0027-8424
JRNL PMID 6941276
JRNL DOI 10.1073/PNAS.78.4.2179
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
REMARK 1 TITL KINEMATIC MODEL FOR B-DNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 78 7318 1981
REMARK 1 REFN ISSN 0027-8424
REMARK 1 REFERENCE 2
REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. II. INFLUENCE OF BASE
REMARK 1 TITL 2 SEQUENCE ON HELIX STRUCTURE
REMARK 1 REF J.MOL.BIOL. V. 149 761 1981
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH H.R.DREW,R.E.DICKERSON
REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. III. GEOMETRY OF HYDRATION
REMARK 1 REF J.MOL.BIOL. V. 151 535 1981
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 4
REMARK 1 AUTH R.WING,H.R.DREW,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
REMARK 1 AUTH 2 R.E.DICKERSON
REMARK 1 TITL CRYSTAL STRUCTURE ANALYSIS OF A COMPLETE TURN OF B-DNA
REMARK 1 REF NATURE V. 287 755 1980
REMARK 1 REFN ISSN 0028-0836
SEQRES 1 A 12 DC DG DC DG DA DA DT DT DC DG DC DG
SEQRES 1 B 12 DC DG DC DG DA DA DT DT DC DG DC DG
FORMUL 3 HOH *80(H2 O)
CRYST1 24.870 40.390 66.200 90.00 90.00 90.00 P 21 21 21 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.040209 0.000000 0.000000 0.00000
SCALE2 0.000000 0.024759 0.000000 0.00000
SCALE3 0.000000 0.000000 0.015106 0.00000
MODEL 1
ATOM 1 O5' DC A 1 18.935 34.195 25.617 1.00 64.35 O
ATOM 2 C5' DC A 1 19.130 33.921 24.219 1.00 44.69 C
ATOM 3 C4' DC A 1 19.961 32.668 24.100 1.00 31.28 C
ATOM 4 O4' DC A 1 19.360 31.583 24.852 1.00 37.45 O
ATOM 5 C3' DC A 1 20.172 32.122 22.694 1.00 46.72 C
ATOM 6 O3' DC A 1 21.350 31.325 22.681 1.00 48.89 O
ATOM 7 C2' DC A 1 18.948 31.223 22.647 1.00 30.88 C
ATOM 8 C1' DC A 1 19.231 30.482 23.944 1.00 36.58 C
ATOM 9 N1 DC A 1 18.070 29.661 24.380 1.00 40.51 N
ATOM 10 C2 DC A 1 18.224 28.454 25.015 1.00 16.62 C
ATOM 11 O2 DC A 1 19.360 28.014 25.214 1.00 27.75 O
ATOM 12 N3 DC A 1 17.143 27.761 25.377 1.00 20.55 N
ATOM 13 C4 DC A 1 15.917 28.226 25.120 1.00 34.72 C
ATOM 14 N4 DC A 1 14.828 27.477 25.444 1.00 40.31 N
ATOM 15 C5 DC A 1 15.719 29.442 24.471 1.00 30.78 C
ATOM 16 C6 DC A 1 16.843 30.171 24.101 1.00 25.90 C
ATOM 17 P DG A 2 22.409 31.286 21.483 1.00 58.85 P
ATOM 18 OP1 DG A 2 23.536 32.157 21.851 1.00 57.82 O
ATOM 19 OP2 DG A 2 21.822 31.459 20.139 1.00 78.33 O
ATOM 20 O5' DG A 2 22.840 29.751 21.498 1.00 40.36 O
ATOM 21 C5' DG A 2 23.543 29.175 22.594 1.00 47.19 C
ATOM 22 C4' DG A 2 23.494 27.709 22.279 1.00 47.81 C
ATOM 23 O4' DG A 2 22.193 27.252 22.674 1.00 38.76 O
ATOM 24 C3' DG A 2 23.693 27.325 20.807 1.00 28.58 C
ATOM 25 O3' DG A 2 24.723 26.320 20.653 1.00 40.44 O
ATOM 26 C2' DG A 2 22.273 26.885 20.416 1.00 21.14 C
ATOM 27 C1' DG A 2 21.721 26.304 21.716 1.00 33.95 C
ATOM 28 N9 DG A 2 20.237 26.470 21.780 1.00 34.00 N
ATOM 29 C8 DG A 2 19.526 27.584 21.429 1.00 36.47 C
ATOM 30 N7 DG A 2 18.207 27.455 21.636 1.00 32.37 N
ATOM 31 C5 DG A 2 18.083 26.212 22.142 1.00 15.06 C
ATOM 32 C6 DG A 2 16.904 25.525 22.545 1.00 11.88 C
ATOM 33 O6 DG A 2 15.739 25.916 22.518 1.00 21.30 O
ATOM 34 N1 DG A 2 17.197 24.279 23.037 1.00 15.44 N
ATOM 35 C2 DG A 2 18.434 23.717 23.155 1.00 9.63 C
ATOM 36 N2 DG A 2 18.508 22.456 23.668 1.00 16.69 N
ATOM 37 N3 DG A 2 19.537 24.360 22.770 1.00 30.98 N
ATOM 38 C4 DG A 2 19.290 25.594 22.274 1.00 18.56 C
ATOM 39 P DC A 3 25.064 25.621 19.252 1.00 44.67 P
ATOM 40 OP1 DC A 3 26.506 25.316 19.220 1.00 53.89 O
ATOM 41 OP2 DC A 3 24.559 26.412 18.115 1.00 57.79 O
ATOM 42 O5' DC A 3 24.260 24.246 19.327 1.00 35.42 O
ATOM 43 C5' DC A 3 24.584 23.285 20.335 1.00 45.75 C
ATOM 44 C4' DC A 3 23.523 22.233 20.245 1.00 43.02 C
ATOM 45 O4' DC A 3 22.256 22.844 20.453 1.00 36.85 O
ATOM 46 C3' DC A 3 23.424 21.557 18.903 1.00 40.14 C
ATOM 47 O3' DC A 3 24.121 20.309 18.928 1.00 49.62 O
ATOM 48 C2' DC A 3 21.930 21.406 18.661 1.00 53.79 C
ATOM 49 C1' DC A 3 21.278 21.966 19.909 1.00 22.18 C
ATOM 50 N1 DC A 3 20.196 22.889 19.521 1.00 25.44 N
ATOM 51 C2 DC A 3 18.909 22.584 19.816 1.00 19.81 C
ATOM 52 O2 DC A 3 18.685 21.512 20.382 1.00 29.92 O
ATOM 53 N3 DC A 3 17.935 23.447 19.502 1.00 21.59 N
ATOM 54 C4 DC A 3 18.217 24.603 18.897 1.00 14.01 C
ATOM 55 N4 DC A 3 17.221 25.499 18.629 1.00 26.88 N
ATOM 56 C5 DC A 3 19.526 24.945 18.571 1.00 27.59 C
ATOM 57 C6 DC A 3 20.537 24.048 18.899 1.00 27.05 C
ATOM 58 P DG A 4 24.249 19.412 17.617 1.00 44.54 P
ATOM 59 OP1 DG A 4 25.420 18.535 17.765 1.00 61.90 O
ATOM 60 OP2 DG A 4 24.208 20.296 16.440 1.00 37.36 O
ATOM 61 O5' DG A 4 22.931 18.537 17.670 1.00 32.01 O
ATOM 62 C5' DG A 4 22.714 17.625 18.753 1.00 37.89 C
ATOM 63 C4' DG A 4 21.393 16.960 18.505 1.00 53.00 C
ATOM 64 O4' DG A 4 20.353 17.952 18.496 1.00 38.79 O
ATOM 65 C3' DG A 4 21.264 16.229 17.176 1.00 56.72 C
ATOM 66 O3' DG A 4 20.284 15.214 17.238 1.00 64.12 O
ATOM 67 C2' DG A 4 20.793 17.368 16.288 1.00 40.81 C
ATOM 68 C1' DG A 4 19.716 17.901 17.218 1.00 30.52 C
ATOM 69 N9 DG A 4 19.305 19.281 16.869 1.00 28.53 N
ATOM 70 C8 DG A 4 20.017 20.263 16.232 1.00 27.82 C
ATOM 71 N7 DG A 4 19.313 21.394 16.077 1.00 28.01 N
ATOM 72 C5 DG A 4 18.121 21.100 16.635 1.00 23.22 C
ATOM 73 C6 DG A 4 16.952 21.904 16.749 1.00 29.21 C
ATOM 74 O6 DG A 4 16.769 23.057 16.368 1.00 38.58 O
ATOM 75 N1 DG A 4 15.933 21.214 17.352 1.00 27.94 N
ATOM 76 C2 DG A 4 15.972 19.930 17.816 1.00 23.44 C
ATOM 77 N2 DG A 4 14.831 19.416 18.353 1.00 42.64 N
ATOM 78 N3 DG A 4 17.068 19.179 17.717 1.00 21.56 N
ATOM 79 C4 DG A 4 18.084 19.825 17.121 1.00 23.44 C
ATOM 80 P DA A 5 20.356 13.969 16.245 1.00 57.01 P
ATOM 81 OP1 DA A 5 21.116 12.891 16.892 1.00 58.59 O
ATOM 82 OP2 DA A 5 20.837 14.423 14.910 1.00 51.96 O
ATOM 83 O5' DA A 5 18.810 13.581 16.161 1.00 47.12 O
ATOM 84 C5' DA A 5 18.015 13.569 17.362 1.00 47.67 C
ATOM 85 C4' DA A 5 16.672 14.088 16.957 1.00 64.79 C
ATOM 86 O4' DA A 5 16.842 15.447 16.561 1.00 47.60 O
ATOM 87 C3' DA A 5 16.019 13.393 15.764 1.00 51.50 C
ATOM 88 O3' DA A 5 14.762 12.796 16.120 1.00 52.18 O
ATOM 89 C2' DA A 5 15.952 14.498 14.696 1.00 45.00 C
ATOM 90 C1' DA A 5 15.851 15.732 15.569 1.00 26.88 C
ATOM 91 N9 DA A 5 16.391 16.916 14.867 1.00 16.69 N
ATOM 92 C8 DA A 5 17.658 17.103 14.382 1.00 28.14 C
ATOM 93 N7 DA A 5 17.863 18.346 13.913 1.00 34.85 N
ATOM 94 C5 DA A 5 16.673 18.953 14.098 1.00 22.49 C
ATOM 95 C6 DA A 5 16.230 20.279 13.819 1.00 18.12 C
ATOM 96 N6 DA A 5 17.045 21.222 13.268 1.00 29.30 N
ATOM 97 N1 DA A 5 14.966 20.578 14.118 1.00 27.61 N
ATOM 98 C2 DA A 5 14.178 19.652 14.669 1.00 18.53 C
ATOM 99 N3 DA A 5 14.463 18.392 14.984 1.00 29.16 N
ATOM 100 C4 DA A 5 15.750 18.110 14.661 1.00 15.08 C
ATOM 101 P DA A 6 13.866 12.006 15.063 1.00 43.68 P
ATOM 102 OP1 DA A 6 13.028 11.039 15.800 1.00 42.55 O
ATOM 103 OP2 DA A 6 14.715 11.499 13.968 1.00 54.20 O
ATOM 104 O5' DA A 6 12.879 13.111 14.480 1.00 28.20 O
ATOM 105 C5' DA A 6 11.802 13.597 15.290 1.00 42.29 C
ATOM 106 C4' DA A 6 11.111 14.603 14.435 1.00 33.23 C
ATOM 107 O4' DA A 6 12.152 15.460 13.962 1.00 41.48 O
ATOM 108 C3' DA A 6 10.417 14.070 13.187 1.00 18.16 C
ATOM 109 O3' DA A 6 9.007 14.369 13.181 1.00 30.42 O
ATOM 110 C2' DA A 6 11.240 14.692 12.061 1.00 52.97 C
ATOM 111 C1' DA A 6 11.699 15.974 12.719 1.00 38.93 C
ATOM 112 N9 DA A 6 12.918 16.526 12.078 1.00 19.06 N
ATOM 113 C8 DA A 6 14.115 15.899 11.868 1.00 17.83 C
ATOM 114 N7 DA A 6 15.049 16.714 11.356 1.00 29.55 N
ATOM 115 C5 DA A 6 14.416 17.901 11.246 1.00 19.88 C
ATOM 116 C6 DA A 6 14.873 19.187 10.815 1.00 17.26 C
ATOM 117 N6 DA A 6 16.161 19.418 10.427 1.00 19.85 N
ATOM 118 N1 DA A 6 13.999 20.191 10.852 1.00 17.93 N
ATOM 119 C2 DA A 6 12.753 19.962 11.272 1.00 23.00 C
ATOM 120 N3 DA A 6 12.210 18.824 11.698 1.00 21.37 N
ATOM 121 C4 DA A 6 13.116 17.823 11.657 1.00 15.93 C
ATOM 122 P DT A 7 8.081 14.050 11.915 1.00 40.72 P
ATOM 123 OP1 DT A 7 6.668 13.960 12.342 1.00 46.75 O
ATOM 124 OP2 DT A 7 8.600 12.894 11.137 1.00 42.53 O
ATOM 125 O5' DT A 7 8.239 15.387 11.076 1.00 35.21 O
ATOM 126 C5' DT A 7 7.907 16.635 11.686 1.00 34.88 C
ATOM 127 C4' DT A 7 8.162 17.628 10.598 1.00 31.45 C
ATOM 128 O4' DT A 7 9.543 17.580 10.279 1.00 46.82 O
ATOM 129 C3' DT A 7 7.461 17.284 9.296 1.00 23.76 C
ATOM 130 O3' DT A 7 6.251 18.034 9.162 1.00 44.27 O
ATOM 131 C2' DT A 7 8.532 17.527 8.223 1.00 26.30 C
ATOM 132 C1' DT A 7 9.644 18.209 9.019 1.00 28.96 C
ATOM 133 N1 DT A 7 11.021 17.903 8.565 1.00 20.47 N
ATOM 134 C2 DT A 7 11.822 18.923 8.176 1.00 28.01 C
ATOM 135 O2 DT A 7 11.383 20.077 8.143 1.00 40.01 O
ATOM 136 N3 DT A 7 13.119 18.641 7.852 1.00 27.94 N
ATOM 137 C4 DT A 7 13.633 17.372 7.882 1.00 15.14 C
ATOM 138 O4 DT A 7 14.830 17.222 7.619 1.00 32.54 O
ATOM 139 C5 DT A 7 12.781 16.325 8.235 1.00 10.83 C
ATOM 140 C7 DT A 7 13.269 14.902 8.236 1.00 36.33 C
ATOM 141 C6 DT A 7 11.465 16.616 8.594 1.00 12.19 C
ATOM 142 P DT A 8 5.384 17.990 7.824 1.00 49.10 P
ATOM 143 OP1 DT A 8 4.025 18.444 8.180 1.00 41.11 O
ATOM 144 OP2 DT A 8 5.458 16.668 7.160 1.00 39.21 O
ATOM 145 O5' DT A 8 6.086 19.118 6.927 1.00 48.80 O
ATOM 146 C5' DT A 8 6.146 20.478 7.418 1.00 34.73 C
ATOM 147 C4' DT A 8 6.995 21.229 6.438 1.00 28.73 C
ATOM 148 O4' DT A 8 8.188 20.458 6.284 1.00 39.07 O
ATOM 149 C3' DT A 8 6.418 21.332 5.029 1.00 37.88 C
ATOM 150 O3' DT A 8 5.967 22.667 4.696 1.00 52.04 O
ATOM 151 C2' DT A 8 7.513 20.718 4.139 1.00 32.80 C
ATOM 152 C1' DT A 8 8.736 20.855 5.034 1.00 36.58 C
ATOM 153 N1 DT A 8 9.823 19.876 4.759 1.00 24.57 N
ATOM 154 C2 DT A 8 11.086 20.316 4.494 1.00 19.41 C
ATOM 155 O2 DT A 8 11.324 21.516 4.389 1.00 32.74 O
ATOM 156 N3 DT A 8 12.094 19.403 4.412 1.00 25.12 N
ATOM 157 C4 DT A 8 11.876 18.060 4.551 1.00 31.35 C
ATOM 158 O4 DT A 8 12.858 17.317 4.503 1.00 28.53 O
ATOM 159 C5 DT A 8 10.569 17.611 4.765 1.00 22.80 C
ATOM 160 C7 DT A 8 10.261 16.140 4.896 1.00 24.98 C
ATOM 161 C6 DT A 8 9.545 18.548 4.904 1.00 20.28 C
ATOM 162 P DC A 9 5.531 23.071 3.209 1.00 48.97 P
ATOM 163 OP1 DC A 9 4.648 24.244 3.269 1.00 62.33 O
ATOM 164 OP2 DC A 9 5.010 21.905 2.470 1.00 51.53 O
ATOM 165 O5' DC A 9 6.926 23.547 2.611 1.00 43.99 O
ATOM 166 C5' DC A 9 7.636 24.627 3.249 1.00 50.86 C
ATOM 167 C4' DC A 9 8.897 24.853 2.457 1.00 46.66 C
ATOM 168 O4' DC A 9 9.638 23.627 2.448 1.00 42.69 O
ATOM 169 C3' DC A 9 8.717 25.240 0.998 1.00 56.96 C
ATOM 170 O3' DC A 9 9.470 26.414 0.667 1.00 63.54 O
ATOM 171 C2' DC A 9 9.126 23.965 0.253 1.00 50.41 C
ATOM 172 C1' DC A 9 10.241 23.483 1.157 1.00 41.08 C
ATOM 173 N1 DC A 9 10.524 22.022 1.015 1.00 37.23 N
ATOM 174 C2 DC A 9 11.814 21.603 0.840 1.00 40.54 C
ATOM 175 O2 DC A 9 12.691 22.447 0.670 1.00 43.89 O
ATOM 176 N3 DC A 9 12.106 20.297 0.873 1.00 32.57 N
ATOM 177 C4 DC A 9 11.141 19.395 1.046 1.00 24.65 C
ATOM 178 N4 DC A 9 11.461 18.075 1.089 1.00 27.84 N
ATOM 179 C5 DC A 9 9.803 19.775 1.177 1.00 17.61 C
ATOM 180 C6 DC A 9 9.499 21.133 1.167 1.00 30.63 C
ATOM 181 P DG A 10 9.055 27.333 -0.581 1.00 65.48 P
ATOM 182 OP1 DG A 10 9.496 28.717 -0.258 1.00 59.09 O
ATOM 183 OP2 DG A 10 7.632 27.106 -0.947 1.00 45.71 O
ATOM 184 O5' DG A 10 9.954 26.765 -1.771 1.00 70.30 O
ATOM 185 C5' DG A 10 11.382 26.940 -1.720 1.00 71.73 C
ATOM 186 C4' DG A 10 11.972 26.090 -2.802 1.00 58.69 C
ATOM 187 O4' DG A 10 11.802 24.724 -2.404 1.00 41.03 O
ATOM 188 C3' DG A 10 11.327 26.178 -4.188 1.00 45.61 C
ATOM 189 O3' DG A 10 12.311 26.096 -5.214 1.00 52.70 O
ATOM 190 C2' DG A 10 10.414 24.962 -4.186 1.00 36.02 C
ATOM 191 C1' DG A 10 11.429 24.028 -3.587 1.00 50.90 C
ATOM 192 N9 DG A 10 10.890 22.713 -3.200 1.00 45.86 N
ATOM 193 C8 DG A 10 9.616 22.315 -2.910 1.00 44.49 C
ATOM 194 N7 DG A 10 9.541 21.009 -2.613 1.00 39.96 N
ATOM 195 C5 DG A 10 10.818 20.588 -2.718 1.00 38.99 C
ATOM 196 C6 DG A 10 11.376 19.292 -2.511 1.00 35.78 C
ATOM 197 O6 DG A 10 10.813 18.252 -2.179 1.00 34.90 O
ATOM 198 N1 DG A 10 12.729 19.299 -2.720 1.00 23.54 N
ATOM 199 C2 DG A 10 13.498 20.365 -3.082 1.00 8.73 C
ATOM 200 N2 DG A 10 14.834 20.169 -3.237 1.00 23.15 N
ATOM 201 N3 DG A 10 12.982 21.573 -3.267 1.00 24.68 N
ATOM 202 C4 DG A 10 11.656 21.601 -3.061 1.00 31.53 C
ATOM 203 P DC A 11 12.763 27.421 -5.980 1.00 60.62 P
ATOM 204 OP1 DC A 11 12.796 28.572 -5.049 1.00 63.74 O
ATOM 205 OP2 DC A 11 11.886 27.542 -7.164 1.00 52.44 O
ATOM 206 O5' DC A 11 14.272 27.086 -6.366 1.00 57.57 O
ATOM 207 C5' DC A 11 15.275 27.108 -5.318 1.00 54.70 C
ATOM 208 C4' DC A 11 16.222 25.946 -5.510 1.00 72.51 C
ATOM 209 O4' DC A 11 15.443 24.754 -5.397 1.00 47.18 O
ATOM 210 C3' DC A 11 16.942 25.827 -6.848 1.00 29.82 C
ATOM 211 O3' DC A 11 18.340 25.511 -6.701 1.00 43.53 O
ATOM 212 C2' DC A 11 16.118 24.767 -7.578 1.00 51.34 C
ATOM 213 C1' DC A 11 15.856 23.836 -6.414 1.00 30.07 C
ATOM 214 N1 DC A 11 14.672 22.975 -6.637 1.00 23.25 N
ATOM 215 C2 DC A 11 14.802 21.628 -6.529 1.00 20.38 C
ATOM 216 O2 DC A 11 15.924 21.178 -6.314 1.00 38.77 O
ATOM 217 N3 DC A 11 13.723 20.842 -6.627 1.00 15.92 N
ATOM 218 C4 DC A 11 12.515 21.373 -6.836 1.00 15.82 C
ATOM 219 N4 DC A 11 11.410 20.574 -6.872 1.00 28.04 N
ATOM 220 C5 DC A 11 12.348 22.744 -6.978 1.00 26.17 C
ATOM 221 C6 DC A 11 13.470 23.558 -6.869 1.00 35.50 C
ATOM 222 P DG A 12 19.331 25.774 -7.925 1.00 55.98 P
ATOM 223 OP1 DG A 12 20.704 25.976 -7.408 1.00 45.83 O
ATOM 224 OP2 DG A 12 18.763 26.851 -8.758 1.00 44.26 O
ATOM 225 O5' DG A 12 19.302 24.412 -8.763 1.00 62.63 O
ATOM 226 C5' DG A 12 20.109 23.284 -8.359 1.00 69.50 C
ATOM 227 C4' DG A 12 19.748 22.167 -9.299 1.00 39.92 C
ATOM 228 O4' DG A 12 18.350 21.969 -9.139 1.00 32.00 O
ATOM 229 C3' DG A 12 19.921 22.404 -10.815 1.00 50.39 C
ATOM 230 O3' DG A 12 20.985 21.635 -11.401 1.00 64.13 O
ATOM 231 C2' DG A 12 18.535 22.062 -11.381 1.00 36.18 C
ATOM 232 C1' DG A 12 17.965 21.200 -10.269 1.00 24.79 C
ATOM 233 N9 DG A 12 16.493 21.220 -10.265 1.00 28.44 N
ATOM 234 C8 DG A 12 15.663 22.289 -10.478 1.00 31.85 C
ATOM 235 N7 DG A 12 14.368 21.958 -10.390 1.00 38.26 N
ATOM 236 C5 DG A 12 14.388 20.640 -10.102 1.00 28.99 C
ATOM 237 C6 DG A 12 13.301 19.742 -9.856 1.00 42.63 C
ATOM 238 O6 DG A 12 12.091 19.967 -9.857 1.00 49.17 O
ATOM 239 N1 DG A 12 13.750 18.466 -9.625 1.00 40.15 N
ATOM 240 C2 DG A 12 15.042 18.043 -9.605 1.00 33.42 C
ATOM 241 N2 DG A 12 15.259 16.717 -9.406 1.00 40.53 N
ATOM 242 N3 DG A 12 16.061 18.885 -9.792 1.00 37.34 N
ATOM 243 C4 DG A 12 15.660 20.156 -10.027 1.00 31.14 C
TER 244 DG A 12
ATOM 245 O5' DC B 13 7.458 11.884 -9.070 1.00 66.23 O
ATOM 246 C5' DC B 13 8.252 10.968 -9.854 1.00 71.49 C
ATOM 247 C4' DC B 13 9.714 11.141 -9.512 1.00 56.82 C
ATOM 248 O4' DC B 13 10.144 12.455 -9.908 1.00 57.92 O
ATOM 249 C3' DC B 13 10.103 10.989 -8.055 1.00 34.34 C
ATOM 250 O3' DC B 13 11.293 10.221 -7.904 1.00 42.11 O
ATOM 251 C2' DC B 13 10.254 12.437 -7.607 1.00 29.08 C
ATOM 252 C1' DC B 13 10.896 13.044 -8.837 1.00 38.40 C
ATOM 253 N1 DC B 13 10.575 14.487 -8.944 1.00 34.33 N
ATOM 254 C2 DC B 13 11.559 15.430 -9.006 1.00 22.98 C
ATOM 255 O2 DC B 13 12.725 15.066 -8.932 1.00 50.83 O
ATOM 256 N3 DC B 13 11.246 16.714 -9.193 1.00 37.14 N
ATOM 257 C4 DC B 13 9.980 17.088 -9.334 1.00 42.60 C
ATOM 258 N4 DC B 13 9.698 18.395 -9.589 1.00 54.91 N
ATOM 259 C5 DC B 13 8.939 16.162 -9.274 1.00 56.67 C
ATOM 260 C6 DC B 13 9.265 14.824 -9.080 1.00 49.21 C
ATOM 261 P DG B 14 11.602 9.510 -6.502 1.00 60.42 P
ATOM 262 OP1 DG B 14 11.666 8.032 -6.664 1.00 57.44 O
ATOM 263 OP2 DG B 14 10.644 10.010 -5.494 1.00 46.07 O
ATOM 264 O5' DG B 14 13.051 10.094 -6.177 1.00 50.94 O
ATOM 265 C5' DG B 14 14.100 10.021 -7.156 1.00 34.84 C
ATOM 266 C4' DG B 14 15.113 10.992 -6.657 1.00 48.06 C
ATOM 267 O4' DG B 14 14.556 12.300 -6.755 1.00 37.01 O
ATOM 268 C3' DG B 14 15.445 10.806 -5.189 1.00 50.58 C
ATOM 269 O3' DG B 14 16.836 10.560 -5.013 1.00 51.98 O
ATOM 270 C2' DG B 14 14.937 12.100 -4.529 1.00 40.32 C
ATOM 271 C1' DG B 14 15.058 13.086 -5.671 1.00 46.69 C
ATOM 272 N9 DG B 14 14.036 14.140 -5.536 1.00 29.17 N
ATOM 273 C8 DG B 14 12.710 13.957 -5.259 1.00 23.48 C
ATOM 274 N7 DG B 14 12.016 15.103 -5.269 1.00 37.54 N
ATOM 275 C5 DG B 14 12.937 16.041 -5.558 1.00 26.27 C
ATOM 276 C6 DG B 14 12.761 17.451 -5.710 1.00 40.82 C
ATOM 277 O6 DG B 14 11.723 18.111 -5.630 1.00 44.39 O
ATOM 278 N1 DG B 14 13.952 18.079 -5.973 1.00 19.52 N
ATOM 279 C2 DG B 14 15.171 17.485 -6.107 1.00 18.48 C
ATOM 280 N2 DG B 14 16.244 18.292 -6.325 1.00 36.58 N
ATOM 281 N3 DG B 14 15.329 16.161 -5.986 1.00 46.96 N
ATOM 282 C4 DG B 14 14.179 15.499 -5.721 1.00 35.70 C
ATOM 283 P DC B 15 17.478 10.380 -3.569 1.00 46.26 P
ATOM 284 OP1 DC B 15 18.665 9.516 -3.729 1.00 46.07 O
ATOM 285 OP2 DC B 15 16.427 9.940 -2.633 1.00 40.43 O
ATOM 286 O5' DC B 15 17.957 11.865 -3.208 1.00 40.97 O
ATOM 287 C5' DC B 15 18.963 12.531 -3.996 1.00 28.78 C
ATOM 288 C4' DC B 15 18.936 13.958 -3.536 1.00 32.84 C
ATOM 289 O4' DC B 15 17.592 14.409 -3.622 1.00 37.24 O
ATOM 290 C3' DC B 15 19.253 14.139 -2.066 1.00 43.98 C
ATOM 291 O3' DC B 15 20.659 14.219 -1.858 1.00 40.90 O
ATOM 292 C2' DC B 15 18.520 15.417 -1.728 1.00 36.26 C
ATOM 293 C1' DC B 15 17.545 15.602 -2.872 1.00 20.54 C
ATOM 294 N1 DC B 15 16.145 15.696 -2.428 1.00 23.10 N
ATOM 295 C2 DC B 15 15.507 16.886 -2.558 1.00 32.12 C
ATOM 296 O2 DC B 15 16.162 17.846 -2.957 1.00 30.04 O
ATOM 297 N3 DC B 15 14.209 16.983 -2.264 1.00 32.94 N
ATOM 298 C4 DC B 15 13.536 15.919 -1.825 1.00 16.43 C
ATOM 299 N4 DC B 15 12.205 16.017 -1.553 1.00 34.91 N
ATOM 300 C5 DC B 15 14.164 14.689 -1.652 1.00 22.75 C
ATOM 301 C6 DC B 15 15.509 14.584 -1.979 1.00 26.42 C
ATOM 302 P DG B 16 21.304 14.529 -0.436 1.00 42.39 P
ATOM 303 OP1 DG B 16 22.696 14.087 -0.524 1.00 60.41 O
ATOM 304 OP2 DG B 16 20.488 13.954 0.650 1.00 51.09 O
ATOM 305 O5' DG B 16 21.306 16.117 -0.363 1.00 45.08 O
ATOM 306 C5' DG B 16 22.177 16.876 -1.212 1.00 33.20 C
ATOM 307 C4' DG B 16 21.739 18.292 -1.021 1.00 24.95 C
ATOM 308 O4' DG B 16 20.305 18.225 -1.048 1.00 32.83 O
ATOM 309 C3' DG B 16 22.101 18.959 0.293 1.00 41.12 C
ATOM 310 O3' DG B 16 22.592 20.293 0.097 1.00 53.45 O
ATOM 311 C2' DG B 16 20.820 18.829 1.121 1.00 28.93 C
ATOM 312 C1' DG B 16 19.765 18.985 0.046 1.00 37.44 C
ATOM 313 N9 DG B 16 18.513 18.299 0.468 1.00 17.75 N
ATOM 314 C8 DG B 16 18.363 17.062 1.039 1.00 17.96 C
ATOM 315 N7 DG B 16 17.080 16.744 1.281 1.00 24.14 N
ATOM 316 C5 DG B 16 16.400 17.832 0.868 1.00 9.96 C
ATOM 317 C6 DG B 16 14.996 18.090 0.882 1.00 18.10 C
ATOM 318 O6 DG B 16 14.082 17.378 1.280 1.00 31.13 O
ATOM 319 N1 DG B 16 14.712 19.349 0.418 1.00 17.72 N
ATOM 320 C2 DG B 16 15.606 20.268 -0.027 1.00 16.23 C
ATOM 321 N2 DG B 16 15.134 21.493 -0.382 1.00 33.42 N
ATOM 322 N3 DG B 16 16.912 20.017 -0.072 1.00 26.37 N
ATOM 323 C4 DG B 16 17.236 18.794 0.384 1.00 31.72 C
ATOM 324 P DA B 17 22.904 21.238 1.339 1.00 46.87 P
ATOM 325 OP1 DA B 17 23.994 22.183 1.025 1.00 47.75 O
ATOM 326 OP2 DA B 17 23.104 20.390 2.538 1.00 46.81 O
ATOM 327 O5' DA B 17 21.577 22.107 1.390 1.00 39.51 O
ATOM 328 C5' DA B 17 21.216 22.833 0.200 1.00 30.37 C
ATOM 329 C4' DA B 17 20.101 23.788 0.484 1.00 35.43 C
ATOM 330 O4' DA B 17 18.913 23.054 0.816 1.00 43.05 O
ATOM 331 C3' DA B 17 20.347 24.743 1.633 1.00 44.50 C
ATOM 332 O3' DA B 17 19.732 26.010 1.411 1.00 78.59 O
ATOM 333 C2' DA B 17 19.752 23.945 2.791 1.00 44.42 C
ATOM 334 C1' DA B 17 18.497 23.393 2.145 1.00 42.55 C
ATOM 335 N9 DA B 17 18.079 22.095 2.758 1.00 34.56 N
ATOM 336 C8 DA B 17 18.847 21.020 3.133 1.00 20.07 C
ATOM 337 N7 DA B 17 18.114 19.984 3.584 1.00 27.60 N
ATOM 338 C5 DA B 17 16.842 20.424 3.488 1.00 18.80 C
ATOM 339 C6 DA B 17 15.577 19.817 3.786 1.00 32.58 C
ATOM 340 N6 DA B 17 15.448 18.537 4.242 1.00 29.54 N
ATOM 341 N1 DA B 17 14.482 20.557 3.593 1.00 35.01 N
ATOM 342 C2 DA B 17 14.597 21.801 3.118 1.00 36.47 C
ATOM 343 N3 DA B 17 15.700 22.472 2.783 1.00 38.96 N
ATOM 344 C4 DA B 17 16.791 21.706 3.002 1.00 28.24 C
ATOM 345 P DA B 18 19.803 27.141 2.526 1.00 46.11 P
ATOM 346 OP1 DA B 18 19.796 28.478 1.888 1.00 49.20 O
ATOM 347 OP2 DA B 18 20.953 26.858 3.426 1.00 43.48 O
ATOM 348 O5' DA B 18 18.396 26.939 3.241 1.00 40.83 O
ATOM 349 C5' DA B 18 17.203 27.028 2.452 1.00 40.72 C
ATOM 350 C4' DA B 18 16.035 26.958 3.388 1.00 66.52 C
ATOM 351 O4' DA B 18 15.856 25.612 3.850 1.00 44.25 O
ATOM 352 C3' DA B 18 16.101 27.861 4.615 1.00 63.34 C
ATOM 353 O3' DA B 18 14.890 28.608 4.757 1.00 55.65 O
ATOM 354 C2' DA B 18 16.368 26.844 5.724 1.00 34.49 C
ATOM 355 C1' DA B 18 15.561 25.655 5.243 1.00 29.45 C
ATOM 356 N9 DA B 18 16.104 24.373 5.755 1.00 20.03 N
ATOM 357 C8 DA B 18 17.411 23.967 5.830 1.00 16.51 C
ATOM 358 N7 DA B 18 17.539 22.706 6.276 1.00 20.58 N
ATOM 359 C5 DA B 18 16.266 22.309 6.480 1.00 21.66 C
ATOM 360 C6 DA B 18 15.715 21.073 6.933 1.00 17.93 C
ATOM 361 N6 DA B 18 16.483 19.994 7.243 1.00 20.37 N
ATOM 362 N1 DA B 18 14.389 20.994 7.036 1.00 20.81 N
ATOM 363 C2 DA B 18 13.636 22.041 6.708 1.00 26.77 C
ATOM 364 N3 DA B 18 14.019 23.234 6.265 1.00 26.83 N
ATOM 365 C4 DA B 18 15.367 23.291 6.174 1.00 27.48 C
ATOM 366 P DT B 19 14.604 29.545 6.020 1.00 48.40 P
ATOM 367 OP1 DT B 19 13.792 30.696 5.582 1.00 50.18 O
ATOM 368 OP2 DT B 19 15.852 29.836 6.749 1.00 44.42 O
ATOM 369 O5' DT B 19 13.633 28.628 6.885 1.00 53.86 O
ATOM 370 C5' DT B 19 12.398 28.171 6.303 1.00 55.04 C
ATOM 371 C4' DT B 19 11.809 27.217 7.302 1.00 44.86 C
ATOM 372 O4' DT B 19 12.767 26.184 7.534 1.00 48.52 O
ATOM 373 C3' DT B 19 11.515 27.822 8.669 1.00 41.77 C
ATOM 374 O3' DT B 19 10.103 27.952 8.891 1.00 57.02 O
ATOM 375 C2' DT B 19 12.267 26.906 9.630 1.00 39.28 C
ATOM 376 C1' DT B 19 12.426 25.645 8.799 1.00 27.68 C
ATOM 377 N1 DT B 19 13.609 24.850 9.205 1.00 21.67 N
ATOM 378 C2 DT B 19 13.442 23.575 9.656 1.00 31.71 C
ATOM 379 O2 DT B 19 12.311 23.101 9.802 1.00 36.00 O
ATOM 380 N3 DT B 19 14.551 22.825 9.913 1.00 24.66 N
ATOM 381 C4 DT B 19 15.815 23.321 9.777 1.00 40.64 C
ATOM 382 O4 DT B 19 16.755 22.570 10.029 1.00 31.47 O
ATOM 383 C5 DT B 19 15.972 24.647 9.362 1.00 31.79 C
ATOM 384 C7 DT B 19 17.345 25.239 9.234 1.00 30.05 C
ATOM 385 C6 DT B 19 14.844 25.405 9.048 1.00 14.35 C
ATOM 386 P DT B 20 9.513 28.533 10.260 1.00 48.24 P
ATOM 387 OP1 DT B 20 8.145 29.007 9.998 1.00 41.28 O
ATOM 388 OP2 DT B 20 10.455 29.513 10.841 1.00 53.39 O
ATOM 389 O5' DT B 20 9.395 27.223 11.153 1.00 36.57 O
ATOM 390 C5' DT B 20 8.576 26.148 10.664 1.00 50.41 C
ATOM 391 C4' DT B 20 8.655 25.060 11.678 1.00 32.08 C
ATOM 392 O4' DT B 20 10.003 24.615 11.764 1.00 48.38 O
ATOM 393 C3' DT B 20 8.272 25.471 13.087 1.00 29.99 C
ATOM 394 O3' DT B 20 7.199 24.657 13.553 1.00 45.14 O
ATOM 395 C2' DT B 20 9.586 25.307 13.860 1.00 32.42 C
ATOM 396 C1' DT B 20 10.190 24.148 13.089 1.00 39.56 C
ATOM 397 N1 DT B 20 11.660 24.070 13.205 1.00 20.36 N
ATOM 398 C2 DT B 20 12.257 22.880 13.486 1.00 27.55 C
ATOM 399 O2 DT B 20 11.583 21.866 13.691 1.00 38.33 O
ATOM 400 N3 DT B 20 13.620 22.829 13.497 1.00 29.60 N
ATOM 401 C4 DT B 20 14.402 23.914 13.225 1.00 30.11 C
ATOM 402 O4 DT B 20 15.625 23.764 13.252 1.00 32.92 O
ATOM 403 C5 DT B 20 13.774 25.126 12.933 1.00 24.11 C
ATOM 404 C7 DT B 20 14.563 26.358 12.612 1.00 23.96 C
ATOM 405 C6 DT B 20 12.385 25.187 12.926 1.00 19.78 C
ATOM 406 P DC B 21 6.594 24.823 15.016 1.00 54.73 P
ATOM 407 OP1 DC B 21 5.169 24.424 14.987 1.00 53.98 O
ATOM 408 OP2 DC B 21 6.870 26.189 15.511 1.00 65.53 O
ATOM 409 O5' DC B 21 7.409 23.731 15.839 1.00 50.67 O
ATOM 410 C5' DC B 21 7.331 22.352 15.433 1.00 60.86 C
ATOM 411 C4' DC B 21 8.100 21.598 16.461 1.00 40.86 C
ATOM 412 O4' DC B 21 9.478 21.902 16.263 1.00 36.88 O
ATOM 413 C3' DC B 21 7.766 22.045 17.879 1.00 53.80 C
ATOM 414 O3' DC B 21 7.036 21.041 18.611 1.00 79.04 O
ATOM 415 C2' DC B 21 9.123 22.414 18.469 1.00 48.43 C
ATOM 416 C1' DC B 21 10.107 21.743 17.523 1.00 36.51 C
ATOM 417 N1 DC B 21 11.328 22.556 17.331 1.00 24.72 N
ATOM 418 C2 DC B 21 12.534 21.939 17.329 1.00 30.96 C
ATOM 419 O2 DC B 21 12.560 20.731 17.579 1.00 34.53 O
ATOM 420 N3 DC B 21 13.639 22.639 17.035 1.00 31.69 N
ATOM 421 C4 DC B 21 13.560 23.938 16.739 1.00 21.53 C
ATOM 422 N4 DC B 21 14.685 24.628 16.404 1.00 23.72 N
ATOM 423 C5 DC B 21 12.338 24.609 16.736 1.00 30.74 C
ATOM 424 C6 DC B 21 11.193 23.878 17.035 1.00 27.58 C
ATOM 425 P DG B 22 6.509 21.324 20.099 1.00 56.50 P
ATOM 426 OP1 DG B 22 5.387 20.397 20.396 1.00 50.81 O
ATOM 427 OP2 DG B 22 6.235 22.774 20.306 1.00 53.84 O
ATOM 428 O5' DG B 22 7.767 20.924 20.993 1.00 66.30 O
ATOM 429 C5' DG B 22 8.216 19.559 21.073 1.00 73.42 C
ATOM 430 C4' DG B 22 9.422 19.557 21.977 1.00 42.96 C
ATOM 431 O4' DG B 22 10.493 20.260 21.319 1.00 52.87 O
ATOM 432 C3' DG B 22 9.267 20.267 23.325 1.00 38.51 C
ATOM 433 O3' DG B 22 10.088 19.657 24.293 1.00 60.28 O
ATOM 434 C2' DG B 22 9.751 21.670 22.990 1.00 22.00 C
ATOM 435 C1' DG B 22 10.988 21.226 22.256 1.00 24.85 C
ATOM 436 N9 DG B 22 11.599 22.357 21.543 1.00 25.91 N
ATOM 437 C8 DG B 22 11.037 23.545 21.159 1.00 23.91 C
ATOM 438 N7 DG B 22 11.921 24.362 20.566 1.00 39.18 N
ATOM 439 C5 DG B 22 13.072 23.653 20.580 1.00 25.66 C
ATOM 440 C6 DG B 22 14.370 24.003 20.102 1.00 28.34 C
ATOM 441 O6 DG B 22 14.747 25.057 19.585 1.00 31.85 O
ATOM 442 N1 DG B 22 15.268 22.983 20.308 1.00 25.22 N
ATOM 443 C2 DG B 22 15.023 21.776 20.891 1.00 11.07 C
ATOM 444 N2 DG B 22 16.066 20.914 21.038 1.00 25.92 N
ATOM 445 N3 DG B 22 13.815 21.452 21.350 1.00 19.05 N
ATOM 446 C4 DG B 22 12.902 22.429 21.151 1.00 23.69 C
ATOM 447 P DC B 23 9.477 18.627 25.340 1.00 55.93 P
ATOM 448 OP1 DC B 23 8.767 17.534 24.627 1.00 45.14 O
ATOM 449 OP2 DC B 23 8.670 19.409 26.312 1.00 41.61 O
ATOM 450 O5' DC B 23 10.807 18.067 26.034 1.00 59.70 O
ATOM 451 C5' DC B 23 11.688 17.170 25.310 1.00 63.13 C
ATOM 452 C4' DC B 23 13.115 17.573 25.593 1.00 27.86 C
ATOM 453 O4' DC B 23 13.284 18.804 24.893 1.00 50.51 O
ATOM 454 C3' DC B 23 13.441 17.879 27.059 1.00 46.45 C
ATOM 455 O3' DC B 23 14.341 16.938 27.677 1.00 57.21 O
ATOM 456 C2' DC B 23 13.928 19.322 27.025 1.00 68.01 C
ATOM 457 C1' DC B 23 14.312 19.508 25.568 1.00 32.05 C
ATOM 458 N1 DC B 23 14.144 20.932 25.170 1.00 23.28 N
ATOM 459 C2 DC B 23 15.199 21.595 24.630 1.00 20.62 C
ATOM 460 O2 DC B 23 16.257 20.984 24.504 1.00 29.62 O
ATOM 461 N3 DC B 23 15.067 22.877 24.257 1.00 39.00 N
ATOM 462 C4 DC B 23 13.898 23.510 24.404 1.00 30.44 C
ATOM 463 N4 DC B 23 13.771 24.813 24.018 1.00 34.66 N
ATOM 464 C5 DC B 23 12.795 22.866 24.967 1.00 27.74 C
ATOM 465 C6 DC B 23 12.935 21.540 25.359 1.00 24.58 C
ATOM 466 P DG B 24 14.658 17.064 29.247 1.00 53.70 P
ATOM 467 OP1 DG B 24 14.863 15.717 29.825 1.00 61.79 O
ATOM 468 OP2 DG B 24 13.633 17.912 29.920 1.00 36.06 O
ATOM 469 O5' DG B 24 16.033 17.880 29.284 1.00 34.06 O
ATOM 470 C5' DG B 24 17.243 17.320 28.742 1.00 46.57 C
ATOM 471 C4' DG B 24 18.208 18.464 28.758 1.00 50.89 C
ATOM 472 O4' DG B 24 17.716 19.428 27.829 1.00 32.02 O
ATOM 473 C3' DG B 24 18.230 19.236 30.058 1.00 30.38 C
ATOM 474 O3' DG B 24 18.978 18.583 31.084 1.00 61.06 O
ATOM 475 C2' DG B 24 18.885 20.519 29.578 1.00 53.33 C
ATOM 476 C1' DG B 24 18.276 20.693 28.188 1.00 35.03 C
ATOM 477 N9 DG B 24 17.164 21.659 28.139 1.00 30.25 N
ATOM 478 C8 DG B 24 15.874 21.536 28.580 1.00 30.86 C
ATOM 479 N7 DG B 24 15.129 22.614 28.308 1.00 44.08 N
ATOM 480 C5 DG B 24 15.990 23.436 27.673 1.00 16.87 C
ATOM 481 C6 DG B 24 15.765 24.729 27.117 1.00 19.36 C
ATOM 482 O6 DG B 24 14.719 25.373 27.067 1.00 33.30 O
ATOM 483 N1 DG B 24 16.926 25.257 26.604 1.00 15.78 N
ATOM 484 C2 DG B 24 18.157 24.666 26.579 1.00 11.92 C
ATOM 485 N2 DG B 24 19.208 25.386 26.096 1.00 29.76 N
ATOM 486 N3 DG B 24 18.350 23.438 27.053 1.00 21.95 N
ATOM 487 C4 DG B 24 17.231 22.893 27.570 1.00 13.89 C
TER 488 DG B 24
HETATM 489 O HOH A 25 19.736 30.706 18.656 1.00 51.86 O
HETATM 490 O HOH A 31 10.879 26.039 -8.906 1.00 47.07 O
HETATM 491 O HOH A 32 18.320 24.816 14.948 1.00 47.72 O
HETATM 492 O HOH A 36 9.821 13.442 8.572 1.00 45.76 O
HETATM 493 O HOH A 38 8.915 15.602 -3.388 1.00 50.97 O
HETATM 494 O HOH A 39 17.505 26.340 -10.581 1.00 51.90 O
HETATM 495 O HOH A 40 28.496 23.515 18.349 1.00 45.37 O
HETATM 496 O HOH A 41 11.346 24.175 4.920 1.00 45.03 O
HETATM 497 O HOH A 50 9.098 16.119 1.277 1.00 51.80 O
HETATM 498 O HOH A 54 16.488 29.195 19.861 1.00 54.92 O
HETATM 499 O HOH A 55 22.078 25.894 15.396 1.00 62.20 O
HETATM 500 O HOH A 58 7.133 14.448 4.647 1.00 57.15 O
HETATM 501 O HOH A 62 14.095 28.151 21.614 1.00 53.85 O
HETATM 502 O HOH A 64 27.164 31.710 20.331 1.00 56.84 O
HETATM 503 O HOH A 65 15.295 11.873 12.209 1.00 57.34 O
HETATM 504 O HOH A 66 18.180 16.604 9.966 1.00 61.52 O
HETATM 505 O HOH A 67 6.216 17.035 1.672 1.00 62.91 O
HETATM 506 O HOH A 70 7.055 25.519 -2.053 1.00 55.96 O
HETATM 507 O HOH A 74 12.454 11.354 9.415 1.00 68.40 O
HETATM 508 O HOH A 76 11.492 29.103 20.090 1.00 67.46 O
HETATM 509 O HOH A 77 14.220 29.189 20.392 1.00 48.22 O
HETATM 510 O HOH A 78 6.138 19.149 13.844 1.00 62.26 O
HETATM 511 O HOH A 79 17.315 9.638 13.392 1.00 65.70 O
HETATM 512 O HOH A 80 18.951 25.757 12.989 1.00 66.47 O
HETATM 513 O HOH A 81 20.460 18.861 12.664 1.00 63.00 O
HETATM 514 O HOH A 82 3.529 19.338 12.599 1.00 65.32 O
HETATM 515 O HOH A 84 16.223 12.351 9.406 1.00 63.59 O
HETATM 516 O HOH A 85 12.989 29.901 -9.282 1.00 64.97 O
HETATM 517 O HOH A 86 17.510 30.569 18.702 1.00 61.79 O
HETATM 518 O HOH A 87 25.377 12.891 19.011 1.00 73.80 O
HETATM 519 O HOH A 88 13.610 15.742 18.593 1.00 69.48 O
HETATM 520 O HOH A 89 18.012 32.598 15.262 1.00 67.52 O
HETATM 521 O HOH A 92 8.723 13.216 6.359 1.00 70.66 O
HETATM 522 O HOH A 97 18.779 13.814 11.704 1.00 71.14 O
HETATM 523 O HOH A 99 12.227 25.192 -10.299 1.00 70.46 O
HETATM 524 O HOH A 100 12.292 30.291 27.102 1.00 73.04 O
HETATM 525 O HOH A 102 20.170 23.000 12.999 1.00 73.63 O
HETATM 526 O HOH B 26 14.354 27.683 16.369 1.00 40.92 O
HETATM 527 O HOH B 27 9.864 22.509 9.123 1.00 39.67 O
HETATM 528 O HOH B 28 19.526 19.144 7.481 1.00 51.15 O
HETATM 529 O HOH B 29 25.754 12.744 -1.835 1.00 51.80 O
HETATM 530 O HOH B 30 7.478 20.604 -9.000 1.00 44.82 O
HETATM 531 O HOH B 33 9.012 24.586 7.009 1.00 43.42 O
HETATM 532 O HOH B 34 10.152 19.917 13.381 1.00 48.04 O
HETATM 533 O HOH B 35 7.764 21.397 11.075 1.00 41.41 O
HETATM 534 O HOH B 37 13.239 14.428 2.049 1.00 55.54 O
HETATM 535 O HOH B 42 12.601 23.000 29.167 1.00 51.36 O
HETATM 536 O HOH B 43 10.440 25.542 24.443 1.00 56.79 O
HETATM 537 O HOH B 44 16.979 28.689 16.284 1.00 50.41 O
HETATM 538 O HOH B 45 4.794 22.966 13.368 1.00 45.95 O
HETATM 539 O HOH B 46 4.208 25.591 10.828 1.00 51.06 O
HETATM 540 O HOH B 47 6.362 24.374 9.188 1.00 51.85 O
HETATM 541 O HOH B 48 7.688 28.411 7.883 1.00 49.33 O
HETATM 542 O HOH B 49 18.379 17.074 4.809 1.00 50.72 O
HETATM 543 O HOH B 51 26.464 23.826 1.396 1.00 53.21 O
HETATM 544 O HOH B 52 11.014 11.318 -2.909 1.00 51.36 O
HETATM 545 O HOH B 53 9.476 27.782 26.498 1.00 60.04 O
HETATM 546 O HOH B 56 5.522 27.411 9.017 1.00 62.36 O
HETATM 547 O HOH B 57 18.456 28.409 8.821 1.00 59.63 O
HETATM 548 O HOH B 59 22.610 15.544 3.846 1.00 57.52 O
HETATM 549 O HOH B 60 24.407 13.162 2.229 1.00 52.30 O
HETATM 550 O HOH B 61 7.988 11.556 -2.976 1.00 59.14 O
HETATM 551 O HOH B 63 14.213 27.722 18.905 1.00 57.29 O
HETATM 552 O HOH B 68 19.101 11.433 1.080 1.00 59.79 O
HETATM 553 O HOH B 69 12.607 10.967 0.261 1.00 60.87 O
HETATM 554 O HOH B 71 15.062 26.024 -0.766 1.00 56.35 O
HETATM 555 O HOH B 72 16.380 6.413 -4.784 1.00 59.07 O
HETATM 556 O HOH B 73 14.059 5.751 -6.198 1.00 56.68 O
HETATM 557 O HOH B 75 9.613 17.039 29.793 1.00 63.48 O
HETATM 558 O HOH B 83 25.276 15.890 -1.301 1.00 64.53 O
HETATM 559 O HOH B 90 2.622 23.030 10.332 1.00 68.01 O
HETATM 560 O HOH B 91 19.701 22.518 9.511 1.00 70.25 O
HETATM 561 O HOH B 93 19.727 29.488 6.155 1.00 69.43 O
HETATM 562 O HOH B 94 17.241 11.563 4.511 1.00 72.18 O
HETATM 563 O HOH B 95 26.545 19.404 -1.091 1.00 70.14 O
HETATM 564 O HOH B 96 9.697 18.315 14.885 1.00 69.10 O
HETATM 565 O HOH B 98 14.292 25.159 2.287 1.00 68.44 O
HETATM 566 O HOH B 101 9.396 27.092 16.993 1.00 72.98 O
HETATM 567 O HOH B 103 19.987 21.691 6.802 1.00 72.66 O
HETATM 568 O HOH B 104 18.692 31.584 4.596 1.00 72.98 O
ENDMDL
MASTER 23 0 0 0 0 0 0 6 566 2 0 2
END

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HEADER RNA 15-AUG-03 XXXX
TITLE SOLUTION STRUCTURE OF THE DYSKERATOSIS CONGENITA MUTANT P2B HAIRPIN
TITLE 2 FROM HUMAN TELOMERASE RNA
KEYWDS TETRALOOP, PENTALOOP, UUCG, YNMG, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL AUTH C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL TITL YNMG TETRALOOP FORMATION BY A DYSKERATOSIS CONGENITA
JRNL TITL 2 MUTATION IN HUMAN TELOMERASE RNA.
JRNL REF RNA V. 9 1446 2003
JRNL REFN ISSN 1355-8382
JRNL PMID 14624001
JRNL DOI 10.1261/RNA.5152303
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
REMARK 1 TITL MUTATIONS LINKED TO DYSKERATOSIS CONGENITA CAUSE CHANGES IN
REMARK 1 TITL 2 THE STRUCTURAL EQUILIBRIUM IN TELOMERASE RNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 100 449 2003
REMARK 1 REFN ISSN 0027-8424
REMARK 1 DOI 10.1073/PNAS.242720799
SEQRES 1 A 15 G G C U C U C A G U G A G
SEQRES 2 A 15 C C
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 O5' G A 1 -9.383 3.564 6.205 1.00 0.00 O
ATOM 2 C5' G A 1 -10.723 3.323 6.644 1.00 0.00 C
ATOM 3 C4' G A 1 -11.741 4.029 5.754 1.00 0.00 C
ATOM 4 O4' G A 1 -11.853 5.419 6.093 1.00 0.00 O
ATOM 5 C3' G A 1 -11.309 3.989 4.295 1.00 0.00 C
ATOM 6 O3' G A 1 -11.974 2.893 3.663 1.00 0.00 O
ATOM 7 C2' G A 1 -11.879 5.286 3.739 1.00 0.00 C
ATOM 8 O2' G A 1 -13.256 5.139 3.373 1.00 0.00 O
ATOM 9 C1' G A 1 -11.717 6.225 4.913 1.00 0.00 C
ATOM 10 N9 G A 1 -10.407 6.907 4.872 1.00 0.00 N
ATOM 11 C8 G A 1 -9.448 7.007 5.827 1.00 0.00 C
ATOM 12 N7 G A 1 -8.383 7.675 5.538 1.00 0.00 N
ATOM 13 C5 G A 1 -8.647 8.080 4.227 1.00 0.00 C
ATOM 14 C6 G A 1 -7.855 8.856 3.338 1.00 0.00 C
ATOM 15 O6 G A 1 -6.746 9.346 3.535 1.00 0.00 O
ATOM 16 N1 G A 1 -8.489 9.035 2.115 1.00 0.00 N
ATOM 17 C2 G A 1 -9.731 8.532 1.782 1.00 0.00 C
ATOM 18 N2 G A 1 -10.171 8.812 0.556 1.00 0.00 N
ATOM 19 N3 G A 1 -10.483 7.801 2.613 1.00 0.00 N
ATOM 20 C4 G A 1 -9.885 7.614 3.811 1.00 0.00 C
ATOM 21 H5' G A 1 -10.832 3.685 7.667 1.00 0.00 H
ATOM 22 H5'' G A 1 -10.916 2.250 6.625 1.00 0.00 H
ATOM 23 H4' G A 1 -12.716 3.550 5.860 1.00 0.00 H
ATOM 24 H3' G A 1 -10.223 3.931 4.193 1.00 0.00 H
ATOM 25 H2' G A 1 -11.288 5.649 2.897 1.00 0.00 H
ATOM 26 HO2' G A 1 -13.543 5.978 3.004 1.00 0.00 H
ATOM 27 H1' G A 1 -12.507 6.963 4.879 1.00 0.00 H
ATOM 28 H8 G A 1 -9.569 6.536 6.801 1.00 0.00 H
ATOM 29 H1 G A 1 -7.984 9.578 1.429 1.00 0.00 H
ATOM 30 H21 G A 1 -9.602 9.364 -0.071 1.00 0.00 H
ATOM 31 H22 G A 1 -11.073 8.473 0.253 1.00 0.00 H
ATOM 32 HO5' G A 1 -8.994 4.198 6.811 1.00 0.00 H
ATOM 33 P G A 2 -11.123 1.737 2.936 1.00 0.00 P
ATOM 34 OP1 G A 2 -11.895 0.477 3.010 1.00 0.00 O
ATOM 35 OP2 G A 2 -9.738 1.787 3.454 1.00 0.00 O
ATOM 36 O5' G A 2 -11.106 2.229 1.404 1.00 0.00 O
ATOM 37 C5' G A 2 -12.319 2.299 0.651 1.00 0.00 C
ATOM 38 C4' G A 2 -12.144 3.138 -0.610 1.00 0.00 C
ATOM 39 O4' G A 2 -11.824 4.498 -0.290 1.00 0.00 O
ATOM 40 C3' G A 2 -10.990 2.613 -1.452 1.00 0.00 C
ATOM 41 O3' G A 2 -11.530 1.788 -2.488 1.00 0.00 O
ATOM 42 C2' G A 2 -10.417 3.864 -2.092 1.00 0.00 C
ATOM 43 O2' G A 2 -11.073 4.164 -3.330 1.00 0.00 O
ATOM 44 C1' G A 2 -10.687 4.938 -1.048 1.00 0.00 C
ATOM 45 N9 G A 2 -9.513 5.155 -0.174 1.00 0.00 N
ATOM 46 C8 G A 2 -9.332 4.852 1.140 1.00 0.00 C
ATOM 47 N7 G A 2 -8.195 5.153 1.671 1.00 0.00 N
ATOM 48 C5 G A 2 -7.519 5.733 0.594 1.00 0.00 C
ATOM 49 C6 G A 2 -6.208 6.277 0.529 1.00 0.00 C
ATOM 50 O6 G A 2 -5.369 6.351 1.424 1.00 0.00 O
ATOM 51 N1 G A 2 -5.918 6.760 -0.741 1.00 0.00 N
ATOM 52 C2 G A 2 -6.778 6.726 -1.820 1.00 0.00 C
ATOM 53 N2 G A 2 -6.316 7.241 -2.959 1.00 0.00 N
ATOM 54 N3 G A 2 -8.013 6.217 -1.768 1.00 0.00 N
ATOM 55 C4 G A 2 -8.319 5.740 -0.540 1.00 0.00 C
ATOM 56 H5' G A 2 -13.098 2.743 1.270 1.00 0.00 H
ATOM 57 H5'' G A 2 -12.620 1.290 0.368 1.00 0.00 H
ATOM 58 H4' G A 2 -13.063 3.112 -1.195 1.00 0.00 H
ATOM 59 H3' G A 2 -10.249 2.084 -0.852 1.00 0.00 H
ATOM 60 H2' G A 2 -9.346 3.755 -2.240 1.00 0.00 H
ATOM 61 HO2' G A 2 -10.493 4.746 -3.827 1.00 0.00 H
ATOM 62 H1' G A 2 -10.925 5.865 -1.561 1.00 0.00 H
ATOM 63 H8 G A 2 -10.120 4.379 1.731 1.00 0.00 H
ATOM 64 H1 G A 2 -5.000 7.164 -0.863 1.00 0.00 H
ATOM 65 H21 G A 2 -5.383 7.625 -2.998 1.00 0.00 H
ATOM 66 H22 G A 2 -6.899 7.247 -3.784 1.00 0.00 H
ATOM 67 P C A 3 -10.602 0.706 -3.235 1.00 0.00 P
ATOM 68 OP1 C A 3 -11.427 0.006 -4.245 1.00 0.00 O
ATOM 69 OP2 C A 3 -9.876 -0.071 -2.206 1.00 0.00 O
ATOM 70 O5' C A 3 -9.538 1.633 -4.010 1.00 0.00 O
ATOM 71 C5' C A 3 -9.959 2.479 -5.082 1.00 0.00 C
ATOM 72 C4' C A 3 -8.777 3.191 -5.733 1.00 0.00 C
ATOM 73 O4' C A 3 -8.128 4.072 -4.819 1.00 0.00 O
ATOM 74 C3' C A 3 -7.709 2.203 -6.153 1.00 0.00 C
ATOM 75 O3' C A 3 -7.980 1.775 -7.489 1.00 0.00 O
ATOM 76 C2' C A 3 -6.444 3.047 -6.167 1.00 0.00 C
ATOM 77 O2' C A 3 -6.235 3.655 -7.447 1.00 0.00 O
ATOM 78 C1' C A 3 -6.716 4.098 -5.087 1.00 0.00 C
ATOM 79 N1 C A 3 -5.941 3.806 -3.868 1.00 0.00 N
ATOM 80 C2 C A 3 -4.611 4.192 -3.848 1.00 0.00 C
ATOM 81 O2 C A 3 -4.124 4.773 -4.815 1.00 0.00 O
ATOM 82 N3 C A 3 -3.875 3.911 -2.737 1.00 0.00 N
ATOM 83 C4 C A 3 -4.423 3.278 -1.691 1.00 0.00 C
ATOM 84 N4 C A 3 -3.673 3.015 -0.620 1.00 0.00 N
ATOM 85 C5 C A 3 -5.798 2.880 -1.712 1.00 0.00 C
ATOM 86 C6 C A 3 -6.514 3.164 -2.814 1.00 0.00 C
ATOM 87 H5' C A 3 -10.656 3.222 -4.696 1.00 0.00 H
ATOM 88 H5'' C A 3 -10.467 1.873 -5.833 1.00 0.00 H
ATOM 89 H4' C A 3 -9.117 3.755 -6.596 1.00 0.00 H
ATOM 90 H3' C A 3 -7.637 1.367 -5.460 1.00 0.00 H
ATOM 91 H2' C A 3 -5.585 2.434 -5.883 1.00 0.00 H
ATOM 92 HO2' C A 3 -5.361 3.394 -7.748 1.00 0.00 H
ATOM 93 H1' C A 3 -6.440 5.082 -5.462 1.00 0.00 H
ATOM 94 H41 C A 3 -2.699 3.294 -0.602 1.00 0.00 H
ATOM 95 H42 C A 3 -4.077 2.535 0.176 1.00 0.00 H
ATOM 96 H5 C A 3 -6.250 2.364 -0.867 1.00 0.00 H
ATOM 97 H6 C A 3 -7.564 2.880 -2.863 1.00 0.00 H
ATOM 98 P U A 4 -7.339 0.407 -8.048 1.00 0.00 P
ATOM 99 OP1 U A 4 -7.766 0.237 -9.454 1.00 0.00 O
ATOM 100 OP2 U A 4 -7.602 -0.664 -7.062 1.00 0.00 O
ATOM 101 O5' U A 4 -5.760 0.728 -8.034 1.00 0.00 O
ATOM 102 C5' U A 4 -5.176 1.520 -9.071 1.00 0.00 C
ATOM 103 C4' U A 4 -3.740 1.919 -8.743 1.00 0.00 C
ATOM 104 O4' U A 4 -3.600 2.304 -7.382 1.00 0.00 O
ATOM 105 C3' U A 4 -2.786 0.751 -8.913 1.00 0.00 C
ATOM 106 O3' U A 4 -2.302 0.755 -10.259 1.00 0.00 O
ATOM 107 C2' U A 4 -1.627 1.102 -7.988 1.00 0.00 C
ATOM 108 O2' U A 4 -0.565 1.744 -8.703 1.00 0.00 O
ATOM 109 C1' U A 4 -2.254 2.051 -6.959 1.00 0.00 C
ATOM 110 N1 U A 4 -2.223 1.453 -5.613 1.00 0.00 N
ATOM 111 C2 U A 4 -1.101 1.686 -4.845 1.00 0.00 C
ATOM 112 O2 U A 4 -0.165 2.373 -5.247 1.00 0.00 O
ATOM 113 N3 U A 4 -1.089 1.101 -3.594 1.00 0.00 N
ATOM 114 C4 U A 4 -2.092 0.311 -3.053 1.00 0.00 C
ATOM 115 O4 U A 4 -1.980 -0.164 -1.925 1.00 0.00 O
ATOM 116 C5 U A 4 -3.227 0.123 -3.926 1.00 0.00 C
ATOM 117 C6 U A 4 -3.260 0.688 -5.156 1.00 0.00 C
ATOM 118 H5' U A 4 -5.772 2.423 -9.203 1.00 0.00 H
ATOM 119 H5'' U A 4 -5.184 0.950 -10.000 1.00 0.00 H
ATOM 120 H4' U A 4 -3.431 2.742 -9.385 1.00 0.00 H
ATOM 121 H3' U A 4 -3.250 -0.198 -8.645 1.00 0.00 H
ATOM 122 H2' U A 4 -1.265 0.199 -7.488 1.00 0.00 H
ATOM 123 HO2' U A 4 0.087 2.022 -8.055 1.00 0.00 H
ATOM 124 H1' U A 4 -1.697 2.988 -6.948 1.00 0.00 H
ATOM 125 H3 U A 4 -0.273 1.265 -3.022 1.00 0.00 H
ATOM 126 H5 U A 4 -4.065 -0.484 -3.591 1.00 0.00 H
ATOM 127 H6 U A 4 -4.131 0.532 -5.793 1.00 0.00 H
ATOM 128 P C A 5 -1.450 -0.490 -10.820 1.00 0.00 P
ATOM 129 OP1 C A 5 -0.828 -0.087 -12.101 1.00 0.00 O
ATOM 130 OP2 C A 5 -2.302 -1.699 -10.760 1.00 0.00 O
ATOM 131 O5' C A 5 -0.285 -0.641 -9.720 1.00 0.00 O
ATOM 132 C5' C A 5 0.912 0.133 -9.823 1.00 0.00 C
ATOM 133 C4' C A 5 2.041 -0.467 -8.990 1.00 0.00 C
ATOM 134 O4' C A 5 1.897 -0.160 -7.607 1.00 0.00 O
ATOM 135 C3' C A 5 2.021 -1.981 -9.045 1.00 0.00 C
ATOM 136 O3' C A 5 2.779 -2.412 -10.178 1.00 0.00 O
ATOM 137 C2' C A 5 2.776 -2.372 -7.783 1.00 0.00 C
ATOM 138 O2' C A 5 4.179 -2.498 -8.034 1.00 0.00 O
ATOM 139 C1' C A 5 2.490 -1.211 -6.826 1.00 0.00 C
ATOM 140 N1 C A 5 1.595 -1.643 -5.736 1.00 0.00 N
ATOM 141 C2 C A 5 2.167 -1.845 -4.491 1.00 0.00 C
ATOM 142 O2 C A 5 3.369 -1.645 -4.327 1.00 0.00 O
ATOM 143 N3 C A 5 1.368 -2.267 -3.474 1.00 0.00 N
ATOM 144 C4 C A 5 0.061 -2.481 -3.670 1.00 0.00 C
ATOM 145 N4 C A 5 -0.692 -2.894 -2.650 1.00 0.00 N
ATOM 146 C5 C A 5 -0.536 -2.272 -4.955 1.00 0.00 C
ATOM 147 C6 C A 5 0.265 -1.854 -5.955 1.00 0.00 C
ATOM 148 H5' C A 5 0.713 1.147 -9.474 1.00 0.00 H
ATOM 149 H5'' C A 5 1.223 0.170 -10.867 1.00 0.00 H
ATOM 150 H4' C A 5 3.000 -0.097 -9.345 1.00 0.00 H
ATOM 151 H3' C A 5 1.004 -2.374 -9.053 1.00 0.00 H
ATOM 152 H2' C A 5 2.368 -3.301 -7.376 1.00 0.00 H
ATOM 153 HO2' C A 5 4.546 -1.612 -8.054 1.00 0.00 H
ATOM 154 H1' C A 5 3.429 -0.857 -6.401 1.00 0.00 H
ATOM 155 H41 C A 5 -0.273 -3.044 -1.740 1.00 0.00 H
ATOM 156 H42 C A 5 -1.682 -3.058 -2.785 1.00 0.00 H
ATOM 157 H5 C A 5 -1.600 -2.447 -5.119 1.00 0.00 H
ATOM 158 H6 C A 5 -0.154 -1.683 -6.947 1.00 0.00 H
ATOM 159 P U A 6 2.600 -3.905 -10.758 1.00 0.00 P
ATOM 160 OP1 U A 6 3.615 -4.117 -11.814 1.00 0.00 O
ATOM 161 OP2 U A 6 1.166 -4.117 -11.059 1.00 0.00 O
ATOM 162 O5' U A 6 2.990 -4.823 -9.494 1.00 0.00 O
ATOM 163 C5' U A 6 4.302 -4.753 -8.933 1.00 0.00 C
ATOM 164 C4' U A 6 4.360 -5.381 -7.544 1.00 0.00 C
ATOM 165 O4' U A 6 3.196 -5.087 -6.781 1.00 0.00 O
ATOM 166 C3' U A 6 4.391 -6.892 -7.629 1.00 0.00 C
ATOM 167 O3' U A 6 5.755 -7.310 -7.723 1.00 0.00 O
ATOM 168 C2' U A 6 3.843 -7.331 -6.277 1.00 0.00 C
ATOM 169 O2' U A 6 4.901 -7.570 -5.342 1.00 0.00 O
ATOM 170 C1' U A 6 2.968 -6.148 -5.841 1.00 0.00 C
ATOM 171 N1 U A 6 1.544 -6.535 -5.810 1.00 0.00 N
ATOM 172 C2 U A 6 1.116 -7.307 -4.746 1.00 0.00 C
ATOM 173 O2 U A 6 1.875 -7.655 -3.845 1.00 0.00 O
ATOM 174 N3 U A 6 -0.220 -7.666 -4.753 1.00 0.00 N
ATOM 175 C4 U A 6 -1.152 -7.324 -5.718 1.00 0.00 C
ATOM 176 O4 U A 6 -2.318 -7.701 -5.625 1.00 0.00 O
ATOM 177 C5 U A 6 -0.618 -6.516 -6.791 1.00 0.00 C
ATOM 178 C6 U A 6 0.688 -6.153 -6.806 1.00 0.00 C
ATOM 179 H5' U A 6 4.604 -3.708 -8.863 1.00 0.00 H
ATOM 180 H5'' U A 6 4.995 -5.280 -9.589 1.00 0.00 H
ATOM 181 H4' U A 6 5.240 -5.023 -7.014 1.00 0.00 H
ATOM 182 H3' U A 6 3.787 -7.267 -8.456 1.00 0.00 H
ATOM 183 H2' U A 6 3.227 -8.224 -6.399 1.00 0.00 H
ATOM 184 HO2' U A 6 5.052 -6.751 -4.864 1.00 0.00 H
ATOM 185 H1' U A 6 3.273 -5.821 -4.847 1.00 0.00 H
ATOM 186 H3 U A 6 -0.546 -8.231 -3.982 1.00 0.00 H
ATOM 187 H5 U A 6 -1.273 -6.196 -7.601 1.00 0.00 H
ATOM 188 H6 U A 6 1.063 -5.544 -7.627 1.00 0.00 H
ATOM 189 P C A 7 6.278 -8.099 -9.024 1.00 0.00 P
ATOM 190 OP1 C A 7 6.697 -7.101 -10.035 1.00 0.00 O
ATOM 191 OP2 C A 7 5.275 -9.128 -9.376 1.00 0.00 O
ATOM 192 O5' C A 7 7.595 -8.845 -8.477 1.00 0.00 O
ATOM 193 C5' C A 7 8.809 -8.117 -8.273 1.00 0.00 C
ATOM 194 C4' C A 7 9.449 -8.460 -6.931 1.00 0.00 C
ATOM 195 O4' C A 7 10.257 -7.380 -6.457 1.00 0.00 O
ATOM 196 C3' C A 7 8.380 -8.712 -5.864 1.00 0.00 C
ATOM 197 O3' C A 7 8.646 -9.981 -5.259 1.00 0.00 O
ATOM 198 C2' C A 7 8.606 -7.628 -4.812 1.00 0.00 C
ATOM 199 O2' C A 7 8.433 -8.142 -3.487 1.00 0.00 O
ATOM 200 C1' C A 7 10.044 -7.206 -5.059 1.00 0.00 C
ATOM 201 N1 C A 7 10.266 -5.803 -4.657 1.00 0.00 N
ATOM 202 C2 C A 7 10.414 -5.539 -3.304 1.00 0.00 C
ATOM 203 O2 C A 7 10.350 -6.455 -2.487 1.00 0.00 O
ATOM 204 N3 C A 7 10.628 -4.250 -2.918 1.00 0.00 N
ATOM 205 C4 C A 7 10.694 -3.263 -3.822 1.00 0.00 C
ATOM 206 N4 C A 7 10.906 -2.011 -3.413 1.00 0.00 N
ATOM 207 C5 C A 7 10.541 -3.533 -5.219 1.00 0.00 C
ATOM 208 C6 C A 7 10.330 -4.809 -5.590 1.00 0.00 C
ATOM 209 H5' C A 7 8.592 -7.049 -8.302 1.00 0.00 H
ATOM 210 H5'' C A 7 9.508 -8.360 -9.073 1.00 0.00 H
ATOM 211 H4' C A 7 10.067 -9.350 -7.042 1.00 0.00 H
ATOM 212 H3' C A 7 7.374 -8.665 -6.281 1.00 0.00 H
ATOM 213 H2' C A 7 7.933 -6.785 -4.993 1.00 0.00 H
ATOM 214 HO2' C A 7 7.566 -7.865 -3.183 1.00 0.00 H
ATOM 215 H1' C A 7 10.717 -7.858 -4.502 1.00 0.00 H
ATOM 216 H41 C A 7 11.015 -1.813 -2.429 1.00 0.00 H
ATOM 217 H42 C A 7 10.959 -1.262 -4.088 1.00 0.00 H
ATOM 218 H5 C A 7 10.594 -2.733 -5.957 1.00 0.00 H
ATOM 219 H6 C A 7 10.209 -5.051 -6.645 1.00 0.00 H
ATOM 220 P A A 8 7.980 -11.324 -5.847 1.00 0.00 P
ATOM 221 OP1 A A 8 8.858 -12.464 -5.503 1.00 0.00 O
ATOM 222 OP2 A A 8 7.612 -11.078 -7.259 1.00 0.00 O
ATOM 223 O5' A A 8 6.624 -11.453 -4.987 1.00 0.00 O
ATOM 224 C5' A A 8 6.459 -10.706 -3.778 1.00 0.00 C
ATOM 225 C4' A A 8 5.029 -10.794 -3.250 1.00 0.00 C
ATOM 226 O4' A A 8 4.087 -10.305 -4.216 1.00 0.00 O
ATOM 227 C3' A A 8 4.635 -12.242 -2.975 1.00 0.00 C
ATOM 228 O3' A A 8 3.666 -12.253 -1.924 1.00 0.00 O
ATOM 229 C2' A A 8 3.942 -12.660 -4.259 1.00 0.00 C
ATOM 230 O2' A A 8 3.009 -13.725 -4.035 1.00 0.00 O
ATOM 231 C1' A A 8 3.240 -11.374 -4.666 1.00 0.00 C
ATOM 232 N9 A A 8 3.038 -11.319 -6.126 1.00 0.00 N
ATOM 233 C8 A A 8 3.947 -11.224 -7.128 1.00 0.00 C
ATOM 234 N7 A A 8 3.499 -11.208 -8.340 1.00 0.00 N
ATOM 235 C5 A A 8 2.119 -11.304 -8.131 1.00 0.00 C
ATOM 236 C6 A A 8 1.027 -11.341 -9.006 1.00 0.00 C
ATOM 237 N6 A A 8 1.153 -11.285 -10.333 1.00 0.00 N
ATOM 238 N1 A A 8 -0.200 -11.439 -8.462 1.00 0.00 N
ATOM 239 C2 A A 8 -0.348 -11.497 -7.137 1.00 0.00 C
ATOM 240 N3 A A 8 0.613 -11.470 -6.219 1.00 0.00 N
ATOM 241 C4 A A 8 1.832 -11.372 -6.787 1.00 0.00 C
ATOM 242 H5' A A 8 6.703 -9.661 -3.971 1.00 0.00 H
ATOM 243 H5'' A A 8 7.141 -11.097 -3.023 1.00 0.00 H
ATOM 244 H4' A A 8 4.946 -10.210 -2.332 1.00 0.00 H
ATOM 245 H3' A A 8 5.499 -12.868 -2.751 1.00 0.00 H
ATOM 246 H2' A A 8 4.684 -12.939 -5.012 1.00 0.00 H
ATOM 247 HO2' A A 8 2.663 -13.620 -3.146 1.00 0.00 H
ATOM 248 H1' A A 8 2.272 -11.313 -4.165 1.00 0.00 H
ATOM 249 H8 A A 8 5.015 -11.164 -6.919 1.00 0.00 H
ATOM 250 H61 A A 8 0.331 -11.316 -10.919 1.00 0.00 H
ATOM 251 H62 A A 8 2.069 -11.212 -10.750 1.00 0.00 H
ATOM 252 H2 A A 8 -1.370 -11.575 -6.766 1.00 0.00 H
ATOM 253 P G A 9 4.106 -12.538 -0.401 1.00 0.00 P
ATOM 254 OP1 G A 9 5.256 -13.471 -0.417 1.00 0.00 O
ATOM 255 OP2 G A 9 2.893 -12.874 0.376 1.00 0.00 O
ATOM 256 O5' G A 9 4.632 -11.097 0.086 1.00 0.00 O
ATOM 257 C5' G A 9 3.981 -10.411 1.159 1.00 0.00 C
ATOM 258 C4' G A 9 4.964 -10.083 2.287 1.00 0.00 C
ATOM 259 O4' G A 9 6.294 -10.003 1.766 1.00 0.00 O
ATOM 260 C3' G A 9 4.655 -8.732 2.946 1.00 0.00 C
ATOM 261 O3' G A 9 4.248 -8.989 4.294 1.00 0.00 O
ATOM 262 C2' G A 9 6.005 -8.008 3.023 1.00 0.00 C
ATOM 263 O2' G A 9 6.585 -8.136 4.326 1.00 0.00 O
ATOM 264 C1' G A 9 6.858 -8.706 1.979 1.00 0.00 C
ATOM 265 N9 G A 9 6.912 -7.918 0.730 1.00 0.00 N
ATOM 266 C8 G A 9 7.921 -7.158 0.244 1.00 0.00 C
ATOM 267 N7 G A 9 7.730 -6.550 -0.877 1.00 0.00 N
ATOM 268 C5 G A 9 6.428 -6.942 -1.195 1.00 0.00 C
ATOM 269 C6 G A 9 5.627 -6.607 -2.320 1.00 0.00 C
ATOM 270 O6 G A 9 5.915 -5.887 -3.273 1.00 0.00 O
ATOM 271 N1 G A 9 4.379 -7.213 -2.256 1.00 0.00 N
ATOM 272 C2 G A 9 3.949 -8.039 -1.238 1.00 0.00 C
ATOM 273 N2 G A 9 2.713 -8.527 -1.356 1.00 0.00 N
ATOM 274 N3 G A 9 4.696 -8.359 -0.176 1.00 0.00 N
ATOM 275 C4 G A 9 5.917 -7.782 -0.216 1.00 0.00 C
ATOM 276 H5' G A 9 3.184 -11.042 1.552 1.00 0.00 H
ATOM 277 H5'' G A 9 3.547 -9.490 0.772 1.00 0.00 H
ATOM 278 H4' G A 9 4.923 -10.870 3.039 1.00 0.00 H
ATOM 279 H3' G A 9 3.903 -8.162 2.397 1.00 0.00 H
ATOM 280 H2' G A 9 5.894 -6.949 2.758 1.00 0.00 H
ATOM 281 HO2' G A 9 5.901 -8.464 4.913 1.00 0.00 H
ATOM 282 H1' G A 9 7.870 -8.819 2.368 1.00 0.00 H
ATOM 283 H8 G A 9 8.860 -7.062 0.787 1.00 0.00 H
ATOM 284 H1 G A 9 3.753 -7.021 -3.025 1.00 0.00 H
ATOM 285 H21 G A 9 2.149 -8.285 -2.158 1.00 0.00 H
ATOM 286 H22 G A 9 2.341 -9.139 -0.643 1.00 0.00 H
ATOM 287 P U A 10 2.707 -8.813 4.728 1.00 0.00 P
ATOM 288 OP1 U A 10 2.233 -10.100 5.285 1.00 0.00 O
ATOM 289 OP2 U A 10 1.978 -8.183 3.604 1.00 0.00 O
ATOM 290 O5' U A 10 2.796 -7.747 5.931 1.00 0.00 O
ATOM 291 C5' U A 10 1.605 -7.195 6.501 1.00 0.00 C
ATOM 292 C4' U A 10 1.691 -5.677 6.617 1.00 0.00 C
ATOM 293 O4' U A 10 0.387 -5.084 6.637 1.00 0.00 O
ATOM 294 C3' U A 10 2.364 -5.264 7.919 1.00 0.00 C
ATOM 295 O3' U A 10 3.013 -4.008 7.706 1.00 0.00 O
ATOM 296 C2' U A 10 1.195 -5.040 8.865 1.00 0.00 C
ATOM 297 O2' U A 10 1.518 -4.081 9.878 1.00 0.00 O
ATOM 298 C1' U A 10 0.115 -4.517 7.927 1.00 0.00 C
ATOM 299 N1 U A 10 -1.226 -4.908 8.395 1.00 0.00 N
ATOM 300 C2 U A 10 -1.991 -3.941 9.019 1.00 0.00 C
ATOM 301 O2 U A 10 -1.582 -2.796 9.193 1.00 0.00 O
ATOM 302 N3 U A 10 -3.248 -4.339 9.436 1.00 0.00 N
ATOM 303 C4 U A 10 -3.796 -5.602 9.286 1.00 0.00 C
ATOM 304 O4 U A 10 -4.929 -5.845 9.697 1.00 0.00 O
ATOM 305 C5 U A 10 -2.925 -6.546 8.625 1.00 0.00 C
ATOM 306 C6 U A 10 -1.691 -6.180 8.208 1.00 0.00 C
ATOM 307 H5' U A 10 1.457 -7.621 7.494 1.00 0.00 H
ATOM 308 H5'' U A 10 0.755 -7.457 5.871 1.00 0.00 H
ATOM 309 H4' U A 10 2.252 -5.279 5.776 1.00 0.00 H
ATOM 310 H3' U A 10 3.055 -6.027 8.284 1.00 0.00 H
ATOM 311 H2' U A 10 0.874 -5.988 9.310 1.00 0.00 H
ATOM 312 HO2' U A 10 0.691 -3.710 10.194 1.00 0.00 H
ATOM 313 H1' U A 10 0.177 -3.431 7.869 1.00 0.00 H
ATOM 314 H3 U A 10 -3.820 -3.643 9.893 1.00 0.00 H
ATOM 315 H5 U A 10 -3.265 -7.567 8.458 1.00 0.00 H
ATOM 316 H6 U A 10 -1.055 -6.913 7.712 1.00 0.00 H
ATOM 317 P G A 11 4.336 -3.622 8.538 1.00 0.00 P
ATOM 318 OP1 G A 11 4.841 -4.846 9.200 1.00 0.00 O
ATOM 319 OP2 G A 11 4.043 -2.415 9.343 1.00 0.00 O
ATOM 320 O5' G A 11 5.374 -3.212 7.377 1.00 0.00 O
ATOM 321 C5' G A 11 4.906 -2.701 6.125 1.00 0.00 C
ATOM 322 C4' G A 11 6.027 -2.643 5.093 1.00 0.00 C
ATOM 323 O4' G A 11 6.074 -3.843 4.304 1.00 0.00 O
ATOM 324 C3' G A 11 5.810 -1.507 4.102 1.00 0.00 C
ATOM 325 O3' G A 11 6.540 -0.362 4.550 1.00 0.00 O
ATOM 326 C2' G A 11 6.467 -2.042 2.846 1.00 0.00 C
ATOM 327 O2' G A 11 7.890 -1.883 2.885 1.00 0.00 O
ATOM 328 C1' G A 11 6.064 -3.503 2.909 1.00 0.00 C
ATOM 329 N9 G A 11 4.723 -3.698 2.326 1.00 0.00 N
ATOM 330 C8 G A 11 3.594 -4.183 2.898 1.00 0.00 C
ATOM 331 N7 G A 11 2.523 -4.213 2.178 1.00 0.00 N
ATOM 332 C5 G A 11 2.979 -3.684 0.967 1.00 0.00 C
ATOM 333 C6 G A 11 2.276 -3.450 -0.245 1.00 0.00 C
ATOM 334 O6 G A 11 1.092 -3.666 -0.493 1.00 0.00 O
ATOM 335 N1 G A 11 3.104 -2.907 -1.218 1.00 0.00 N
ATOM 336 C2 G A 11 4.445 -2.621 -1.052 1.00 0.00 C
ATOM 337 N2 G A 11 5.072 -2.103 -2.108 1.00 0.00 N
ATOM 338 N3 G A 11 5.114 -2.837 0.085 1.00 0.00 N
ATOM 339 C4 G A 11 4.327 -3.367 1.049 1.00 0.00 C
ATOM 340 H5' G A 11 4.509 -1.697 6.277 1.00 0.00 H
ATOM 341 H5'' G A 11 4.111 -3.346 5.752 1.00 0.00 H
ATOM 342 H4' G A 11 6.982 -2.509 5.599 1.00 0.00 H
ATOM 343 H3' G A 11 4.752 -1.292 3.950 1.00 0.00 H
ATOM 344 H2' G A 11 6.040 -1.570 1.958 1.00 0.00 H
ATOM 345 HO2' G A 11 8.197 -2.272 3.707 1.00 0.00 H
ATOM 346 H1' G A 11 6.792 -4.111 2.374 1.00 0.00 H
ATOM 347 H8 G A 11 3.590 -4.535 3.929 1.00 0.00 H
ATOM 348 H1 G A 11 2.672 -2.713 -2.110 1.00 0.00 H
ATOM 349 H21 G A 11 4.565 -1.940 -2.967 1.00 0.00 H
ATOM 350 H22 G A 11 6.053 -1.874 -2.050 1.00 0.00 H
ATOM 351 P A A 12 5.757 0.971 5.002 1.00 0.00 P
ATOM 352 OP1 A A 12 6.560 1.648 6.044 1.00 0.00 O
ATOM 353 OP2 A A 12 4.348 0.609 5.275 1.00 0.00 O
ATOM 354 O5' A A 12 5.796 1.874 3.669 1.00 0.00 O
ATOM 355 C5' A A 12 6.936 2.689 3.382 1.00 0.00 C
ATOM 356 C4' A A 12 7.142 2.863 1.880 1.00 0.00 C
ATOM 357 O4' A A 12 6.874 1.647 1.176 1.00 0.00 O
ATOM 358 C3' A A 12 6.177 3.883 1.299 1.00 0.00 C
ATOM 359 O3' A A 12 6.795 5.173 1.341 1.00 0.00 O
ATOM 360 C2' A A 12 6.079 3.446 -0.155 1.00 0.00 C
ATOM 361 O2' A A 12 7.161 3.970 -0.933 1.00 0.00 O
ATOM 362 C1' A A 12 6.161 1.931 -0.041 1.00 0.00 C
ATOM 363 N9 A A 12 4.811 1.338 -0.022 1.00 0.00 N
ATOM 364 C8 A A 12 4.245 0.495 0.875 1.00 0.00 C
ATOM 365 N7 A A 12 3.042 0.091 0.637 1.00 0.00 N
ATOM 366 C5 A A 12 2.760 0.742 -0.568 1.00 0.00 C
ATOM 367 C6 A A 12 1.634 0.755 -1.396 1.00 0.00 C
ATOM 368 N6 A A 12 0.528 0.060 -1.132 1.00 0.00 N
ATOM 369 N1 A A 12 1.693 1.507 -2.510 1.00 0.00 N
ATOM 370 C2 A A 12 2.794 2.206 -2.795 1.00 0.00 C
ATOM 371 N3 A A 12 3.914 2.264 -2.083 1.00 0.00 N
ATOM 372 C4 A A 12 3.831 1.503 -0.974 1.00 0.00 C
ATOM 373 H5' A A 12 7.824 2.222 3.811 1.00 0.00 H
ATOM 374 H5'' A A 12 6.796 3.669 3.838 1.00 0.00 H
ATOM 375 H4' A A 12 8.167 3.174 1.683 1.00 0.00 H
ATOM 376 H3' A A 12 5.210 3.865 1.809 1.00 0.00 H
ATOM 377 H2' A A 12 5.115 3.736 -0.581 1.00 0.00 H
ATOM 378 HO2' A A 12 7.174 3.489 -1.764 1.00 0.00 H
ATOM 379 H1' A A 12 6.719 1.532 -0.888 1.00 0.00 H
ATOM 380 H8 A A 12 4.782 0.174 1.766 1.00 0.00 H
ATOM 381 H61 A A 12 -0.255 0.100 -1.764 1.00 0.00 H
ATOM 382 H62 A A 12 0.475 -0.507 -0.299 1.00 0.00 H
ATOM 383 H2 A A 12 2.771 2.795 -3.712 1.00 0.00 H
ATOM 384 P G A 13 5.933 6.480 1.722 1.00 0.00 P
ATOM 385 OP1 G A 13 6.873 7.561 2.095 1.00 0.00 O
ATOM 386 OP2 G A 13 4.864 6.074 2.662 1.00 0.00 O
ATOM 387 O5' G A 13 5.246 6.876 0.319 1.00 0.00 O
ATOM 388 C5' G A 13 5.879 7.807 -0.562 1.00 0.00 C
ATOM 389 C4' G A 13 5.138 7.921 -1.892 1.00 0.00 C
ATOM 390 O4' G A 13 4.782 6.632 -2.405 1.00 0.00 O
ATOM 391 C3' G A 13 3.826 8.675 -1.729 1.00 0.00 C
ATOM 392 O3' G A 13 4.053 10.055 -2.027 1.00 0.00 O
ATOM 393 C2' G A 13 2.958 8.084 -2.823 1.00 0.00 C
ATOM 394 O2' G A 13 3.194 8.715 -4.087 1.00 0.00 O
ATOM 395 C1' G A 13 3.409 6.632 -2.832 1.00 0.00 C
ATOM 396 N9 G A 13 2.573 5.826 -1.925 1.00 0.00 N
ATOM 397 C8 G A 13 2.868 5.310 -0.708 1.00 0.00 C
ATOM 398 N7 G A 13 1.946 4.642 -0.101 1.00 0.00 N
ATOM 399 C5 G A 13 0.893 4.712 -1.018 1.00 0.00 C
ATOM 400 C6 G A 13 -0.417 4.170 -0.942 1.00 0.00 C
ATOM 401 O6 G A 13 -0.917 3.509 -0.035 1.00 0.00 O
ATOM 402 N1 G A 13 -1.160 4.472 -2.076 1.00 0.00 N
ATOM 403 C2 G A 13 -0.703 5.204 -3.154 1.00 0.00 C
ATOM 404 N2 G A 13 -1.568 5.388 -4.150 1.00 0.00 N
ATOM 405 N3 G A 13 0.528 5.718 -3.234 1.00 0.00 N
ATOM 406 C4 G A 13 1.270 5.437 -2.139 1.00 0.00 C
ATOM 407 H5' G A 13 6.901 7.479 -0.752 1.00 0.00 H
ATOM 408 H5'' G A 13 5.904 8.787 -0.084 1.00 0.00 H
ATOM 409 H4' G A 13 5.766 8.436 -2.618 1.00 0.00 H
ATOM 410 H3' G A 13 3.392 8.531 -0.740 1.00 0.00 H
ATOM 411 H2' G A 13 1.903 8.145 -2.543 1.00 0.00 H
ATOM 412 HO2' G A 13 3.781 9.458 -3.930 1.00 0.00 H
ATOM 413 H1' G A 13 3.339 6.235 -3.844 1.00 0.00 H
ATOM 414 H8 G A 13 3.845 5.462 -0.253 1.00 0.00 H
ATOM 415 H1 G A 13 -2.105 4.119 -2.093 1.00 0.00 H
ATOM 416 H21 G A 13 -2.498 5.000 -4.089 1.00 0.00 H
ATOM 417 H22 G A 13 -1.294 5.915 -4.966 1.00 0.00 H
ATOM 418 P C A 14 3.280 11.204 -1.204 1.00 0.00 P
ATOM 419 OP1 C A 14 3.951 12.496 -1.470 1.00 0.00 O
ATOM 420 OP2 C A 14 3.104 10.737 0.189 1.00 0.00 O
ATOM 421 O5' C A 14 1.834 11.231 -1.912 1.00 0.00 O
ATOM 422 C5' C A 14 1.667 11.844 -3.194 1.00 0.00 C
ATOM 423 C4' C A 14 0.401 11.356 -3.892 1.00 0.00 C
ATOM 424 O4' C A 14 0.203 9.955 -3.697 1.00 0.00 O
ATOM 425 C3' C A 14 -0.834 12.022 -3.316 1.00 0.00 C
ATOM 426 O3' C A 14 -1.102 13.205 -4.074 1.00 0.00 O
ATOM 427 C2' C A 14 -1.933 11.012 -3.598 1.00 0.00 C
ATOM 428 O2' C A 14 -2.514 11.221 -4.891 1.00 0.00 O
ATOM 429 C1' C A 14 -1.196 9.674 -3.525 1.00 0.00 C
ATOM 430 N1 C A 14 -1.444 9.008 -2.232 1.00 0.00 N
ATOM 431 C2 C A 14 -2.687 8.423 -2.044 1.00 0.00 C
ATOM 432 O2 C A 14 -3.527 8.464 -2.939 1.00 0.00 O
ATOM 433 N3 C A 14 -2.941 7.814 -0.854 1.00 0.00 N
ATOM 434 C4 C A 14 -2.014 7.779 0.113 1.00 0.00 C
ATOM 435 N4 C A 14 -2.297 7.177 1.268 1.00 0.00 N
ATOM 436 C5 C A 14 -0.730 8.380 -0.076 1.00 0.00 C
ATOM 437 C6 C A 14 -0.488 8.981 -1.258 1.00 0.00 C
ATOM 438 H5' C A 14 2.530 11.607 -3.816 1.00 0.00 H
ATOM 439 H5'' C A 14 1.608 12.925 -3.065 1.00 0.00 H
ATOM 440 H4' C A 14 0.467 11.566 -4.959 1.00 0.00 H
ATOM 441 H3' C A 14 -0.730 12.228 -2.250 1.00 0.00 H
ATOM 442 H2' C A 14 -2.696 11.062 -2.817 1.00 0.00 H
ATOM 443 HO2' C A 14 -2.802 10.365 -5.216 1.00 0.00 H
ATOM 444 H1' C A 14 -1.537 9.029 -4.334 1.00 0.00 H
ATOM 445 H41 C A 14 -3.204 6.749 1.406 1.00 0.00 H
ATOM 446 H42 C A 14 -1.605 7.147 2.006 1.00 0.00 H
ATOM 447 H5 C A 14 0.025 8.354 0.708 1.00 0.00 H
ATOM 448 H6 C A 14 0.481 9.448 -1.438 1.00 0.00 H
ATOM 449 P C A 15 -1.995 14.390 -3.450 1.00 0.00 P
ATOM 450 OP1 C A 15 -1.939 15.547 -4.371 1.00 0.00 O
ATOM 451 OP2 C A 15 -1.615 14.559 -2.030 1.00 0.00 O
ATOM 452 O5' C A 15 -3.481 13.774 -3.505 1.00 0.00 O
ATOM 453 C5' C A 15 -4.037 13.330 -4.745 1.00 0.00 C
ATOM 454 C4' C A 15 -5.523 13.013 -4.610 1.00 0.00 C
ATOM 455 O4' C A 15 -5.725 11.735 -4.000 1.00 0.00 O
ATOM 456 C3' C A 15 -6.215 14.027 -3.710 1.00 0.00 C
ATOM 457 O3' C A 15 -6.712 15.141 -4.460 1.00 0.00 O
ATOM 458 C2' C A 15 -7.345 13.213 -3.109 1.00 0.00 C
ATOM 459 O2' C A 15 -8.492 13.194 -3.967 1.00 0.00 O
ATOM 460 C1' C A 15 -6.724 11.828 -2.976 1.00 0.00 C
ATOM 461 N1 C A 15 -6.131 11.640 -1.639 1.00 0.00 N
ATOM 462 C2 C A 15 -6.877 10.939 -0.706 1.00 0.00 C
ATOM 463 O2 C A 15 -7.986 10.504 -1.005 1.00 0.00 O
ATOM 464 N3 C A 15 -6.349 10.752 0.534 1.00 0.00 N
ATOM 465 C4 C A 15 -5.139 11.234 0.846 1.00 0.00 C
ATOM 466 N4 C A 15 -4.652 11.033 2.069 1.00 0.00 N
ATOM 467 C5 C A 15 -4.365 11.959 -0.115 1.00 0.00 C
ATOM 468 C6 C A 15 -4.897 12.138 -1.340 1.00 0.00 C
ATOM 469 H5' C A 15 -3.511 12.432 -5.070 1.00 0.00 H
ATOM 470 H5'' C A 15 -3.907 14.111 -5.494 1.00 0.00 H
ATOM 471 H4' C A 15 -5.990 13.020 -5.594 1.00 0.00 H
ATOM 472 H3' C A 15 -5.532 14.359 -2.924 1.00 0.00 H
ATOM 473 HO3' C A 15 -5.998 15.447 -5.024 1.00 0.00 H
ATOM 474 H2' C A 15 -7.604 13.603 -2.121 1.00 0.00 H
ATOM 475 HO2' C A 15 -8.269 13.700 -4.751 1.00 0.00 H
ATOM 476 H1' C A 15 -7.488 11.070 -3.145 1.00 0.00 H
ATOM 477 H41 C A 15 -5.198 10.524 2.752 1.00 0.00 H
ATOM 478 H42 C A 15 -3.737 11.390 2.314 1.00 0.00 H
ATOM 479 H5 C A 15 -3.379 12.353 0.135 1.00 0.00 H
ATOM 480 H6 C A 15 -4.336 12.685 -2.098 1.00 0.00 H
TER 481 C A 15
ENDMDL
MASTER 8 0 0 0 0 0 0 6 316 1 0 2
END

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HEADER DNA 29-MAY-17 XXXX
TITLE G-QUADRUPLEX OF HUMAN PAPILLOMAVIRUS TYPE 52
KEYWDS G-QUADRUPLEX, DNA, HPV52
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.MARUSIC,J.PLAVEC
JRNL AUTH M.MARUSIC,J.PLAVEC
JRNL TITL TOWARDS UNDERSTANDING OF POLYMORPHISM OF THE G-RICH REGION
JRNL TITL 2 OF HUMAN PAPILLOMAVIRUS TYPE 52.
JRNL REF MOLECULES V. 24 2019
JRNL REFN ESSN 1420-3049
JRNL PMID 30987050
JRNL DOI 10.3390/MOLECULES24071294
SEQRES 1 A 23 DG DG DG DT DA DG DG DG DC DA DG DG DG
SEQRES 2 A 23 DG DA DC DA DC DA DG DG DG DT
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 O5' DG A 1 12.016 -2.727 3.587 1.00 0.00 O
ATOM 2 C5' DG A 1 11.496 -1.432 3.303 1.00 0.00 C
ATOM 3 C4' DG A 1 12.101 -0.320 4.173 1.00 0.00 C
ATOM 4 O4' DG A 1 11.565 0.936 3.772 1.00 0.00 O
ATOM 5 C3' DG A 1 11.826 -0.491 5.673 1.00 0.00 C
ATOM 6 O3' DG A 1 12.921 -1.097 6.351 1.00 0.00 O
ATOM 7 C2' DG A 1 11.679 0.954 6.139 1.00 0.00 C
ATOM 8 C1' DG A 1 11.171 1.702 4.902 1.00 0.00 C
ATOM 9 N9 DG A 1 9.705 1.990 4.981 1.00 0.00 N
ATOM 10 C8 DG A 1 9.106 2.774 5.940 1.00 0.00 C
ATOM 11 N7 DG A 1 7.887 3.145 5.662 1.00 0.00 N
ATOM 12 C5 DG A 1 7.639 2.541 4.425 1.00 0.00 C
ATOM 13 C6 DG A 1 6.489 2.625 3.563 1.00 0.00 C
ATOM 14 O6 DG A 1 5.463 3.288 3.722 1.00 0.00 O
ATOM 15 N1 DG A 1 6.603 1.875 2.414 1.00 0.00 N
ATOM 16 C2 DG A 1 7.697 1.144 2.108 1.00 0.00 C
ATOM 17 N2 DG A 1 7.717 0.551 0.940 1.00 0.00 N
ATOM 18 N3 DG A 1 8.788 1.037 2.868 1.00 0.00 N
ATOM 19 C4 DG A 1 8.715 1.774 4.025 1.00 0.00 C
ATOM 20 H5' DG A 1 10.418 -1.423 3.451 1.00 0.00 H
ATOM 21 H5'' DG A 1 11.687 -1.192 2.256 1.00 0.00 H
ATOM 22 H4' DG A 1 13.181 -0.296 4.016 1.00 0.00 H
ATOM 23 H3' DG A 1 10.888 -1.034 5.812 1.00 0.00 H
ATOM 24 H2' DG A 1 11.000 1.034 6.992 1.00 0.00 H
ATOM 25 H2'' DG A 1 12.655 1.357 6.418 1.00 0.00 H
ATOM 26 H1' DG A 1 11.679 2.669 4.856 1.00 0.00 H
ATOM 27 H8 DG A 1 9.629 3.098 6.834 1.00 0.00 H
ATOM 28 H1 DG A 1 5.829 1.890 1.771 1.00 0.00 H
ATOM 29 H21 DG A 1 6.985 0.700 0.252 1.00 0.00 H
ATOM 30 H22 DG A 1 8.536 0.023 0.700 1.00 0.00 H
ATOM 31 HO5' DG A 1 11.942 -2.915 4.555 1.00 0.00 H
ATOM 32 P DG A 2 12.785 -2.542 7.055 1.00 0.00 P
ATOM 33 OP1 DG A 2 14.150 -3.016 7.411 1.00 0.00 O
ATOM 34 OP2 DG A 2 11.937 -3.388 6.173 1.00 0.00 O
ATOM 35 O5' DG A 2 11.966 -2.228 8.414 1.00 0.00 O
ATOM 36 C5' DG A 2 12.532 -1.433 9.453 1.00 0.00 C
ATOM 37 C4' DG A 2 11.536 -0.989 10.546 1.00 0.00 C
ATOM 38 O4' DG A 2 10.474 -0.235 9.961 1.00 0.00 O
ATOM 39 C3' DG A 2 10.893 -2.137 11.346 1.00 0.00 C
ATOM 40 O3' DG A 2 10.663 -1.698 12.689 1.00 0.00 O
ATOM 41 C2' DG A 2 9.619 -2.386 10.540 1.00 0.00 C
ATOM 42 C1' DG A 2 9.266 -0.984 10.026 1.00 0.00 C
ATOM 43 N9 DG A 2 8.579 -0.965 8.712 1.00 0.00 N
ATOM 44 C8 DG A 2 8.863 -1.688 7.577 1.00 0.00 C
ATOM 45 N7 DG A 2 8.084 -1.427 6.566 1.00 0.00 N
ATOM 46 C5 DG A 2 7.214 -0.454 7.059 1.00 0.00 C
ATOM 47 C6 DG A 2 6.148 0.261 6.415 1.00 0.00 C
ATOM 48 O6 DG A 2 5.795 0.202 5.237 1.00 0.00 O
ATOM 49 N1 DG A 2 5.482 1.128 7.257 1.00 0.00 N
ATOM 50 C2 DG A 2 5.827 1.330 8.553 1.00 0.00 C
ATOM 51 N2 DG A 2 5.120 2.196 9.237 1.00 0.00 N
ATOM 52 N3 DG A 2 6.846 0.733 9.176 1.00 0.00 N
ATOM 53 C4 DG A 2 7.499 -0.169 8.377 1.00 0.00 C
ATOM 54 H5' DG A 2 12.958 -0.530 9.013 1.00 0.00 H
ATOM 55 H5'' DG A 2 13.345 -1.985 9.928 1.00 0.00 H
ATOM 56 H4' DG A 2 12.084 -0.347 11.239 1.00 0.00 H
ATOM 57 H3' DG A 2 11.535 -3.021 11.337 1.00 0.00 H
ATOM 58 H2' DG A 2 9.842 -3.080 9.734 1.00 0.00 H
ATOM 59 H2'' DG A 2 8.815 -2.802 11.137 1.00 0.00 H
ATOM 60 H1' DG A 2 8.610 -0.512 10.759 1.00 0.00 H
ATOM 61 H8 DG A 2 9.679 -2.397 7.512 1.00 0.00 H
ATOM 62 H1 DG A 2 4.663 1.585 6.890 1.00 0.00 H
ATOM 63 H21 DG A 2 4.267 2.599 8.867 1.00 0.00 H
ATOM 64 H22 DG A 2 5.365 2.331 10.201 1.00 0.00 H
ATOM 65 P DG A 3 10.044 -2.640 13.860 1.00 0.00 P
ATOM 66 OP1 DG A 3 10.302 -1.964 15.161 1.00 0.00 O
ATOM 67 OP2 DG A 3 10.547 -4.028 13.674 1.00 0.00 O
ATOM 68 O5' DG A 3 8.445 -2.641 13.603 1.00 0.00 O
ATOM 69 C5' DG A 3 7.724 -1.417 13.496 1.00 0.00 C
ATOM 70 C4' DG A 3 6.299 -1.573 12.930 1.00 0.00 C
ATOM 71 O4' DG A 3 6.297 -2.321 11.708 1.00 0.00 O
ATOM 72 C3' DG A 3 5.327 -2.250 13.911 1.00 0.00 C
ATOM 73 O3' DG A 3 4.106 -1.515 13.956 1.00 0.00 O
ATOM 74 C2' DG A 3 5.247 -3.670 13.354 1.00 0.00 C
ATOM 75 C1' DG A 3 5.498 -3.492 11.854 1.00 0.00 C
ATOM 76 N9 DG A 3 6.185 -4.675 11.259 1.00 0.00 N
ATOM 77 C8 DG A 3 7.337 -5.296 11.689 1.00 0.00 C
ATOM 78 N7 DG A 3 7.660 -6.373 11.020 1.00 0.00 N
ATOM 79 C5 DG A 3 6.656 -6.465 10.046 1.00 0.00 C
ATOM 80 C6 DG A 3 6.445 -7.418 8.983 1.00 0.00 C
ATOM 81 O6 DG A 3 7.107 -8.414 8.684 1.00 0.00 O
ATOM 82 N1 DG A 3 5.343 -7.139 8.197 1.00 0.00 N
ATOM 83 C2 DG A 3 4.536 -6.067 8.394 1.00 0.00 C
ATOM 84 N2 DG A 3 3.564 -5.877 7.544 1.00 0.00 N
ATOM 85 N3 DG A 3 4.681 -5.177 9.369 1.00 0.00 N
ATOM 86 C4 DG A 3 5.762 -5.421 10.172 1.00 0.00 C
ATOM 87 H5' DG A 3 8.263 -0.737 12.837 1.00 0.00 H
ATOM 88 H5'' DG A 3 7.665 -0.942 14.476 1.00 0.00 H
ATOM 89 H4' DG A 3 5.925 -0.569 12.719 1.00 0.00 H
ATOM 90 H3' DG A 3 5.764 -2.277 14.911 1.00 0.00 H
ATOM 91 H2' DG A 3 6.017 -4.277 13.826 1.00 0.00 H
ATOM 92 H2'' DG A 3 4.273 -4.127 13.527 1.00 0.00 H
ATOM 93 H1' DG A 3 4.541 -3.326 11.355 1.00 0.00 H
ATOM 94 H8 DG A 3 7.928 -4.918 12.516 1.00 0.00 H
ATOM 95 H1 DG A 3 5.165 -7.755 7.426 1.00 0.00 H
ATOM 96 H21 DG A 3 3.407 -6.503 6.773 1.00 0.00 H
ATOM 97 H22 DG A 3 3.006 -5.034 7.651 1.00 0.00 H
ATOM 98 P DT A 4 2.837 -1.932 14.879 1.00 0.00 P
ATOM 99 OP1 DT A 4 2.109 -0.686 15.250 1.00 0.00 O
ATOM 100 OP2 DT A 4 3.291 -2.839 15.970 1.00 0.00 O
ATOM 101 O5' DT A 4 1.919 -2.777 13.851 1.00 0.00 O
ATOM 102 C5' DT A 4 1.433 -2.164 12.659 1.00 0.00 C
ATOM 103 C4' DT A 4 0.878 -3.166 11.638 1.00 0.00 C
ATOM 104 O4' DT A 4 1.857 -4.135 11.301 1.00 0.00 O
ATOM 105 C3' DT A 4 -0.357 -3.942 12.117 1.00 0.00 C
ATOM 106 O3' DT A 4 -1.537 -3.155 11.913 1.00 0.00 O
ATOM 107 C2' DT A 4 -0.243 -5.221 11.263 1.00 0.00 C
ATOM 108 C1' DT A 4 1.179 -5.213 10.688 1.00 0.00 C
ATOM 109 N1 DT A 4 1.899 -6.506 10.871 1.00 0.00 N
ATOM 110 C2 DT A 4 1.764 -7.476 9.869 1.00 0.00 C
ATOM 111 O2 DT A 4 0.982 -7.380 8.921 1.00 0.00 O
ATOM 112 N3 DT A 4 2.562 -8.595 9.973 1.00 0.00 N
ATOM 113 C4 DT A 4 3.460 -8.851 10.987 1.00 0.00 C
ATOM 114 O4 DT A 4 4.127 -9.886 10.938 1.00 0.00 O
ATOM 115 C5 DT A 4 3.505 -7.833 12.038 1.00 0.00 C
ATOM 116 C7 DT A 4 4.436 -8.002 13.227 1.00 0.00 C
ATOM 117 C6 DT A 4 2.726 -6.722 11.959 1.00 0.00 C
ATOM 118 H5' DT A 4 2.251 -1.622 12.183 1.00 0.00 H
ATOM 119 H5'' DT A 4 0.652 -1.443 12.907 1.00 0.00 H
ATOM 120 H4' DT A 4 0.605 -2.629 10.728 1.00 0.00 H
ATOM 121 H3' DT A 4 -0.244 -4.177 13.180 1.00 0.00 H
ATOM 122 H2' DT A 4 -0.423 -6.116 11.863 1.00 0.00 H
ATOM 123 H2'' DT A 4 -0.942 -5.201 10.429 1.00 0.00 H
ATOM 124 H1' DT A 4 1.111 -5.004 9.620 1.00 0.00 H
ATOM 125 H3 DT A 4 2.468 -9.291 9.255 1.00 0.00 H
ATOM 126 H71 DT A 4 5.464 -8.082 12.873 1.00 0.00 H
ATOM 127 H72 DT A 4 4.360 -7.156 13.912 1.00 0.00 H
ATOM 128 H73 DT A 4 4.182 -8.920 13.759 1.00 0.00 H
ATOM 129 H6 DT A 4 2.766 -5.982 12.746 1.00 0.00 H
ATOM 130 P DA A 5 -3.049 -3.746 11.993 1.00 0.00 P
ATOM 131 OP1 DA A 5 -3.979 -2.616 12.274 1.00 0.00 O
ATOM 132 OP2 DA A 5 -3.058 -4.903 12.933 1.00 0.00 O
ATOM 133 O5' DA A 5 -3.360 -4.321 10.498 1.00 0.00 O
ATOM 134 C5' DA A 5 -3.886 -3.534 9.420 1.00 0.00 C
ATOM 135 C4' DA A 5 -3.145 -2.220 9.068 1.00 0.00 C
ATOM 136 O4' DA A 5 -1.734 -2.399 9.072 1.00 0.00 O
ATOM 137 C3' DA A 5 -3.506 -1.689 7.651 1.00 0.00 C
ATOM 138 O3' DA A 5 -3.809 -0.290 7.597 1.00 0.00 O
ATOM 139 C2' DA A 5 -2.203 -1.939 6.877 1.00 0.00 C
ATOM 140 C1' DA A 5 -1.211 -1.655 7.999 1.00 0.00 C
ATOM 141 N9 DA A 5 0.203 -2.052 7.825 1.00 0.00 N
ATOM 142 C8 DA A 5 0.757 -3.135 7.181 1.00 0.00 C
ATOM 143 N7 DA A 5 2.012 -3.346 7.494 1.00 0.00 N
ATOM 144 C5 DA A 5 2.332 -2.257 8.323 1.00 0.00 C
ATOM 145 C6 DA A 5 3.493 -1.779 8.994 1.00 0.00 C
ATOM 146 N6 DA A 5 4.691 -2.320 8.997 1.00 0.00 N
ATOM 147 N1 DA A 5 3.458 -0.697 9.763 1.00 0.00 N
ATOM 148 C2 DA A 5 2.315 -0.047 9.864 1.00 0.00 C
ATOM 149 N3 DA A 5 1.159 -0.332 9.277 1.00 0.00 N
ATOM 150 C4 DA A 5 1.237 -1.457 8.510 1.00 0.00 C
ATOM 151 H5' DA A 5 -4.923 -3.280 9.643 1.00 0.00 H
ATOM 152 H5'' DA A 5 -3.891 -4.176 8.537 1.00 0.00 H
ATOM 153 H4' DA A 5 -3.407 -1.464 9.810 1.00 0.00 H
ATOM 154 H3' DA A 5 -4.326 -2.253 7.204 1.00 0.00 H
ATOM 155 H2' DA A 5 -2.149 -2.980 6.554 1.00 0.00 H
ATOM 156 H2'' DA A 5 -2.080 -1.259 6.035 1.00 0.00 H
ATOM 157 H1' DA A 5 -1.254 -0.588 8.242 1.00 0.00 H
ATOM 158 H8 DA A 5 0.195 -3.783 6.511 1.00 0.00 H
ATOM 159 H61 DA A 5 5.351 -1.929 9.646 1.00 0.00 H
ATOM 160 H62 DA A 5 4.785 -3.263 8.644 1.00 0.00 H
ATOM 161 H2 DA A 5 2.323 0.816 10.511 1.00 0.00 H
ATOM 162 P DG A 6 -5.109 0.357 8.332 1.00 0.00 P
ATOM 163 OP1 DG A 6 -5.961 -0.738 8.871 1.00 0.00 O
ATOM 164 OP2 DG A 6 -5.728 1.325 7.385 1.00 0.00 O
ATOM 165 O5' DG A 6 -4.497 1.182 9.596 1.00 0.00 O
ATOM 166 C5' DG A 6 -4.117 2.553 9.476 1.00 0.00 C
ATOM 167 C4' DG A 6 -3.359 3.092 10.708 1.00 0.00 C
ATOM 168 O4' DG A 6 -2.013 2.599 10.720 1.00 0.00 O
ATOM 169 C3' DG A 6 -3.254 4.633 10.678 1.00 0.00 C
ATOM 170 O3' DG A 6 -3.206 5.138 12.019 1.00 0.00 O
ATOM 171 C2' DG A 6 -1.947 4.799 9.900 1.00 0.00 C
ATOM 172 C1' DG A 6 -1.117 3.695 10.547 1.00 0.00 C
ATOM 173 N9 DG A 6 0.089 3.370 9.742 1.00 0.00 N
ATOM 174 C8 DG A 6 1.399 3.651 10.053 1.00 0.00 C
ATOM 175 N7 DG A 6 2.267 3.245 9.162 1.00 0.00 N
ATOM 176 C5 DG A 6 1.459 2.698 8.157 1.00 0.00 C
ATOM 177 C6 DG A 6 1.802 2.110 6.890 1.00 0.00 C
ATOM 178 O6 DG A 6 2.920 1.910 6.422 1.00 0.00 O
ATOM 179 N1 DG A 6 0.711 1.757 6.123 1.00 0.00 N
ATOM 180 C2 DG A 6 -0.568 1.873 6.553 1.00 0.00 C
ATOM 181 N2 DG A 6 -1.521 1.446 5.768 1.00 0.00 N
ATOM 182 N3 DG A 6 -0.933 2.378 7.724 1.00 0.00 N
ATOM 183 C4 DG A 6 0.126 2.787 8.490 1.00 0.00 C
ATOM 184 H5' DG A 6 -5.018 3.151 9.330 1.00 0.00 H
ATOM 185 H5'' DG A 6 -3.487 2.676 8.594 1.00 0.00 H
ATOM 186 H4' DG A 6 -3.890 2.781 11.611 1.00 0.00 H
ATOM 187 H3' DG A 6 -4.094 5.079 10.140 1.00 0.00 H
ATOM 188 H2' DG A 6 -2.101 4.599 8.839 1.00 0.00 H
ATOM 189 H2'' DG A 6 -1.492 5.778 10.021 1.00 0.00 H
ATOM 190 H1' DG A 6 -0.801 4.051 11.531 1.00 0.00 H
ATOM 191 H8 DG A 6 1.675 4.172 10.965 1.00 0.00 H
ATOM 192 H1 DG A 6 0.893 1.391 5.204 1.00 0.00 H
ATOM 193 H21 DG A 6 -1.336 1.086 4.841 1.00 0.00 H
ATOM 194 H22 DG A 6 -2.459 1.463 6.134 1.00 0.00 H
ATOM 195 P DG A 7 -2.904 6.691 12.378 1.00 0.00 P
ATOM 196 OP1 DG A 7 -3.322 6.922 13.786 1.00 0.00 O
ATOM 197 OP2 DG A 7 -3.486 7.548 11.309 1.00 0.00 O
ATOM 198 O5' DG A 7 -1.283 6.759 12.323 1.00 0.00 O
ATOM 199 C5' DG A 7 -0.579 7.925 11.907 1.00 0.00 C
ATOM 200 C4' DG A 7 0.927 7.644 11.768 1.00 0.00 C
ATOM 201 O4' DG A 7 1.150 6.675 10.743 1.00 0.00 O
ATOM 202 C3' DG A 7 1.709 8.912 11.377 1.00 0.00 C
ATOM 203 O3' DG A 7 2.913 8.992 12.141 1.00 0.00 O
ATOM 204 C2' DG A 7 1.956 8.697 9.883 1.00 0.00 C
ATOM 205 C1' DG A 7 2.094 7.180 9.812 1.00 0.00 C
ATOM 206 N9 DG A 7 1.831 6.633 8.459 1.00 0.00 N
ATOM 207 C8 DG A 7 0.634 6.562 7.784 1.00 0.00 C
ATOM 208 N7 DG A 7 0.698 5.949 6.629 1.00 0.00 N
ATOM 209 C5 DG A 7 2.053 5.614 6.523 1.00 0.00 C
ATOM 210 C6 DG A 7 2.768 4.920 5.491 1.00 0.00 C
ATOM 211 O6 DG A 7 2.326 4.458 4.442 1.00 0.00 O
ATOM 212 N1 DG A 7 4.111 4.754 5.754 1.00 0.00 N
ATOM 213 C2 DG A 7 4.706 5.199 6.886 1.00 0.00 C
ATOM 214 N2 DG A 7 5.980 4.953 7.035 1.00 0.00 N
ATOM 215 N3 DG A 7 4.092 5.857 7.867 1.00 0.00 N
ATOM 216 C4 DG A 7 2.756 6.033 7.632 1.00 0.00 C
ATOM 217 H5' DG A 7 -0.731 8.720 12.640 1.00 0.00 H
ATOM 218 H5'' DG A 7 -0.958 8.263 10.941 1.00 0.00 H
ATOM 219 H4' DG A 7 1.303 7.268 12.721 1.00 0.00 H
ATOM 220 H3' DG A 7 1.095 9.801 11.540 1.00 0.00 H
ATOM 221 H2' DG A 7 1.089 9.032 9.311 1.00 0.00 H
ATOM 222 H2'' DG A 7 2.859 9.194 9.531 1.00 0.00 H
ATOM 223 H1' DG A 7 3.104 6.904 10.129 1.00 0.00 H
ATOM 224 H8 DG A 7 -0.284 6.964 8.196 1.00 0.00 H
ATOM 225 H1 DG A 7 4.644 4.233 5.075 1.00 0.00 H
ATOM 226 H21 DG A 7 6.504 4.410 6.358 1.00 0.00 H
ATOM 227 H22 DG A 7 6.425 5.303 7.866 1.00 0.00 H
ATOM 228 P DG A 8 3.809 10.342 12.225 1.00 0.00 P
ATOM 229 OP1 DG A 8 4.624 10.263 13.469 1.00 0.00 O
ATOM 230 OP2 DG A 8 2.916 11.519 12.046 1.00 0.00 O
ATOM 231 O5' DG A 8 4.804 10.270 10.948 1.00 0.00 O
ATOM 232 C5' DG A 8 6.004 9.498 10.966 1.00 0.00 C
ATOM 233 C4' DG A 8 6.778 9.520 9.633 1.00 0.00 C
ATOM 234 O4' DG A 8 6.125 8.714 8.651 1.00 0.00 O
ATOM 235 C3' DG A 8 6.934 10.939 9.040 1.00 0.00 C
ATOM 236 O3' DG A 8 8.249 11.094 8.485 1.00 0.00 O
ATOM 237 C2' DG A 8 5.859 10.907 7.952 1.00 0.00 C
ATOM 238 C1' DG A 8 6.098 9.481 7.461 1.00 0.00 C
ATOM 239 N9 DG A 8 5.150 8.954 6.456 1.00 0.00 N
ATOM 240 C8 DG A 8 3.790 9.126 6.347 1.00 0.00 C
ATOM 241 N7 DG A 8 3.252 8.525 5.316 1.00 0.00 N
ATOM 242 C5 DG A 8 4.350 7.935 4.678 1.00 0.00 C
ATOM 243 C6 DG A 8 4.438 7.137 3.485 1.00 0.00 C
ATOM 244 O6 DG A 8 3.538 6.806 2.719 1.00 0.00 O
ATOM 245 N1 DG A 8 5.707 6.690 3.203 1.00 0.00 N
ATOM 246 C2 DG A 8 6.806 7.078 3.890 1.00 0.00 C
ATOM 247 N2 DG A 8 7.958 6.704 3.401 1.00 0.00 N
ATOM 248 N3 DG A 8 6.783 7.814 5.002 1.00 0.00 N
ATOM 249 C4 DG A 8 5.517 8.203 5.359 1.00 0.00 C
ATOM 250 H5' DG A 8 5.768 8.461 11.215 1.00 0.00 H
ATOM 251 H5'' DG A 8 6.664 9.888 11.743 1.00 0.00 H
ATOM 252 H4' DG A 8 7.772 9.107 9.818 1.00 0.00 H
ATOM 253 H3' DG A 8 6.723 11.704 9.790 1.00 0.00 H
ATOM 254 H2' DG A 8 4.865 11.011 8.387 1.00 0.00 H
ATOM 255 H2'' DG A 8 6.019 11.663 7.192 1.00 0.00 H
ATOM 256 H1' DG A 8 7.091 9.458 7.004 1.00 0.00 H
ATOM 257 H8 DG A 8 3.218 9.696 7.070 1.00 0.00 H
ATOM 258 H1 DG A 8 5.819 6.171 2.348 1.00 0.00 H
ATOM 259 H21 DG A 8 8.009 6.075 2.614 1.00 0.00 H
ATOM 260 H22 DG A 8 8.795 7.190 3.720 1.00 0.00 H
ATOM 261 P DC A 9 8.892 12.536 8.110 1.00 0.00 P
ATOM 262 OP1 DC A 9 10.342 12.318 7.857 1.00 0.00 O
ATOM 263 OP2 DC A 9 8.516 13.496 9.186 1.00 0.00 O
ATOM 264 O5' DC A 9 8.203 13.066 6.732 1.00 0.00 O
ATOM 265 C5' DC A 9 8.706 12.778 5.421 1.00 0.00 C
ATOM 266 C4' DC A 9 8.327 11.393 4.843 1.00 0.00 C
ATOM 267 O4' DC A 9 6.930 11.144 4.996 1.00 0.00 O
ATOM 268 C3' DC A 9 8.598 11.353 3.326 1.00 0.00 C
ATOM 269 O3' DC A 9 8.850 10.038 2.836 1.00 0.00 O
ATOM 270 C2' DC A 9 7.259 11.857 2.774 1.00 0.00 C
ATOM 271 C1' DC A 9 6.237 11.296 3.766 1.00 0.00 C
ATOM 272 N1 DC A 9 5.029 12.156 3.932 1.00 0.00 N
ATOM 273 C2 DC A 9 3.818 11.794 3.310 1.00 0.00 C
ATOM 274 O2 DC A 9 3.698 10.750 2.663 1.00 0.00 O
ATOM 275 N3 DC A 9 2.725 12.597 3.401 1.00 0.00 N
ATOM 276 C4 DC A 9 2.819 13.700 4.111 1.00 0.00 C
ATOM 277 N4 DC A 9 1.752 14.447 4.165 1.00 0.00 N
ATOM 278 C5 DC A 9 3.999 14.105 4.793 1.00 0.00 C
ATOM 279 C6 DC A 9 5.090 13.308 4.678 1.00 0.00 C
ATOM 280 H5' DC A 9 9.793 12.889 5.405 1.00 0.00 H
ATOM 281 H5'' DC A 9 8.312 13.541 4.750 1.00 0.00 H
ATOM 282 H4' DC A 9 8.906 10.617 5.351 1.00 0.00 H
ATOM 283 H3' DC A 9 9.400 12.036 3.040 1.00 0.00 H
ATOM 284 H2' DC A 9 7.243 12.948 2.776 1.00 0.00 H
ATOM 285 H2'' DC A 9 7.074 11.492 1.763 1.00 0.00 H
ATOM 286 H1' DC A 9 5.924 10.305 3.424 1.00 0.00 H
ATOM 287 H41 DC A 9 0.950 14.180 3.603 1.00 0.00 H
ATOM 288 H42 DC A 9 1.772 15.309 4.680 1.00 0.00 H
ATOM 289 H5 DC A 9 4.052 15.010 5.380 1.00 0.00 H
ATOM 290 H6 DC A 9 6.015 13.568 5.181 1.00 0.00 H
ATOM 291 P DA A 10 10.332 9.383 2.716 1.00 0.00 P
ATOM 292 OP1 DA A 10 10.387 8.216 3.640 1.00 0.00 O
ATOM 293 OP2 DA A 10 11.370 10.446 2.826 1.00 0.00 O
ATOM 294 O5' DA A 10 10.296 8.864 1.169 1.00 0.00 O
ATOM 295 C5' DA A 10 10.963 7.680 0.727 1.00 0.00 C
ATOM 296 C4' DA A 10 10.425 7.099 -0.606 1.00 0.00 C
ATOM 297 O4' DA A 10 9.044 6.756 -0.493 1.00 0.00 O
ATOM 298 C3' DA A 10 10.547 8.060 -1.805 1.00 0.00 C
ATOM 299 O3' DA A 10 10.819 7.403 -3.045 1.00 0.00 O
ATOM 300 C2' DA A 10 9.151 8.675 -1.867 1.00 0.00 C
ATOM 301 C1' DA A 10 8.257 7.527 -1.392 1.00 0.00 C
ATOM 302 N9 DA A 10 7.056 8.022 -0.683 1.00 0.00 N
ATOM 303 C8 DA A 10 7.028 8.643 0.536 1.00 0.00 C
ATOM 304 N7 DA A 10 5.846 9.021 0.939 1.00 0.00 N
ATOM 305 C5 DA A 10 5.018 8.589 -0.106 1.00 0.00 C
ATOM 306 C6 DA A 10 3.627 8.655 -0.362 1.00 0.00 C
ATOM 307 N6 DA A 10 2.738 9.228 0.428 1.00 0.00 N
ATOM 308 N1 DA A 10 3.110 8.179 -1.494 1.00 0.00 N
ATOM 309 C2 DA A 10 3.937 7.619 -2.365 1.00 0.00 C
ATOM 310 N3 DA A 10 5.259 7.479 -2.276 1.00 0.00 N
ATOM 311 C4 DA A 10 5.743 7.985 -1.103 1.00 0.00 C
ATOM 312 H5' DA A 10 10.867 6.902 1.485 1.00 0.00 H
ATOM 313 H5'' DA A 10 12.026 7.899 0.615 1.00 0.00 H
ATOM 314 H4' DA A 10 10.987 6.189 -0.814 1.00 0.00 H
ATOM 315 H3' DA A 10 11.290 8.836 -1.610 1.00 0.00 H
ATOM 316 H2' DA A 10 9.095 9.523 -1.183 1.00 0.00 H
ATOM 317 H2'' DA A 10 8.888 8.995 -2.877 1.00 0.00 H
ATOM 318 H1' DA A 10 7.968 6.914 -2.252 1.00 0.00 H
ATOM 319 H8 DA A 10 7.933 8.797 1.097 1.00 0.00 H
ATOM 320 H61 DA A 10 1.775 9.217 0.153 1.00 0.00 H
ATOM 321 H62 DA A 10 3.066 9.677 1.283 1.00 0.00 H
ATOM 322 H2 DA A 10 3.480 7.239 -3.269 1.00 0.00 H
ATOM 323 P DG A 11 12.281 6.805 -3.421 1.00 0.00 P
ATOM 324 OP1 DG A 11 13.318 7.691 -2.828 1.00 0.00 O
ATOM 325 OP2 DG A 11 12.310 6.580 -4.891 1.00 0.00 O
ATOM 326 O5' DG A 11 12.393 5.360 -2.690 1.00 0.00 O
ATOM 327 C5' DG A 11 11.506 4.288 -3.005 1.00 0.00 C
ATOM 328 C4' DG A 11 11.909 2.976 -2.305 1.00 0.00 C
ATOM 329 O4' DG A 11 11.943 3.119 -0.888 1.00 0.00 O
ATOM 330 C3' DG A 11 10.954 1.818 -2.653 1.00 0.00 C
ATOM 331 O3' DG A 11 11.570 0.847 -3.495 1.00 0.00 O
ATOM 332 C2' DG A 11 10.583 1.228 -1.293 1.00 0.00 C
ATOM 333 C1' DG A 11 10.936 2.326 -0.282 1.00 0.00 C
ATOM 334 N9 DG A 11 9.807 3.182 0.187 1.00 0.00 N
ATOM 335 C8 DG A 11 9.680 3.684 1.460 1.00 0.00 C
ATOM 336 N7 DG A 11 8.569 4.328 1.689 1.00 0.00 N
ATOM 337 C5 DG A 11 7.892 4.243 0.467 1.00 0.00 C
ATOM 338 C6 DG A 11 6.595 4.728 0.075 1.00 0.00 C
ATOM 339 O6 DG A 11 5.771 5.349 0.743 1.00 0.00 O
ATOM 340 N1 DG A 11 6.261 4.444 -1.229 1.00 0.00 N
ATOM 341 C2 DG A 11 7.076 3.789 -2.083 1.00 0.00 C
ATOM 342 N2 DG A 11 6.636 3.571 -3.299 1.00 0.00 N
ATOM 343 N3 DG A 11 8.291 3.343 -1.775 1.00 0.00 N
ATOM 344 C4 DG A 11 8.652 3.578 -0.474 1.00 0.00 C
ATOM 345 H5' DG A 11 11.508 4.114 -4.082 1.00 0.00 H
ATOM 346 H5'' DG A 11 10.494 4.558 -2.705 1.00 0.00 H
ATOM 347 H4' DG A 11 12.912 2.711 -2.645 1.00 0.00 H
ATOM 348 H3' DG A 11 10.068 2.230 -3.134 1.00 0.00 H
ATOM 349 H2' DG A 11 9.529 0.957 -1.256 1.00 0.00 H
ATOM 350 H2'' DG A 11 11.193 0.348 -1.086 1.00 0.00 H
ATOM 351 H1' DG A 11 11.353 1.841 0.605 1.00 0.00 H
ATOM 352 H8 DG A 11 10.438 3.516 2.218 1.00 0.00 H
ATOM 353 H1 DG A 11 5.333 4.689 -1.529 1.00 0.00 H
ATOM 354 H21 DG A 11 5.691 3.808 -3.583 1.00 0.00 H
ATOM 355 H22 DG A 11 7.235 3.048 -3.914 1.00 0.00 H
ATOM 356 P DG A 12 10.696 -0.110 -4.479 1.00 0.00 P
ATOM 357 OP1 DG A 12 11.671 -0.755 -5.404 1.00 0.00 O
ATOM 358 OP2 DG A 12 9.610 0.716 -5.078 1.00 0.00 O
ATOM 359 O5' DG A 12 10.011 -1.259 -3.537 1.00 0.00 O
ATOM 360 C5' DG A 12 10.747 -2.400 -3.095 1.00 0.00 C
ATOM 361 C4' DG A 12 9.907 -3.537 -2.475 1.00 0.00 C
ATOM 362 O4' DG A 12 9.276 -3.179 -1.254 1.00 0.00 O
ATOM 363 C3' DG A 12 8.766 -4.070 -3.347 1.00 0.00 C
ATOM 364 O3' DG A 12 9.212 -4.872 -4.437 1.00 0.00 O
ATOM 365 C2' DG A 12 8.000 -4.890 -2.312 1.00 0.00 C
ATOM 366 C1' DG A 12 8.212 -4.099 -1.010 1.00 0.00 C
ATOM 367 N9 DG A 12 7.040 -3.333 -0.504 1.00 0.00 N
ATOM 368 C8 DG A 12 5.879 -2.924 -1.126 1.00 0.00 C
ATOM 369 N7 DG A 12 5.095 -2.193 -0.377 1.00 0.00 N
ATOM 370 C5 DG A 12 5.777 -2.123 0.841 1.00 0.00 C
ATOM 371 C6 DG A 12 5.472 -1.431 2.066 1.00 0.00 C
ATOM 372 O6 DG A 12 4.527 -0.682 2.298 1.00 0.00 O
ATOM 373 N1 DG A 12 6.389 -1.654 3.074 1.00 0.00 N
ATOM 374 C2 DG A 12 7.479 -2.445 2.922 1.00 0.00 C
ATOM 375 N2 DG A 12 8.242 -2.644 3.955 1.00 0.00 N
ATOM 376 N3 DG A 12 7.818 -3.080 1.806 1.00 0.00 N
ATOM 377 C4 DG A 12 6.933 -2.867 0.787 1.00 0.00 C
ATOM 378 H5' DG A 12 11.498 -2.083 -2.368 1.00 0.00 H
ATOM 379 H5'' DG A 12 11.275 -2.829 -3.948 1.00 0.00 H
ATOM 380 H4' DG A 12 10.587 -4.370 -2.272 1.00 0.00 H
ATOM 381 H3' DG A 12 8.158 -3.226 -3.681 1.00 0.00 H
ATOM 382 H2' DG A 12 6.956 -5.023 -2.584 1.00 0.00 H
ATOM 383 H2'' DG A 12 8.462 -5.873 -2.204 1.00 0.00 H
ATOM 384 H1' DG A 12 8.515 -4.799 -0.227 1.00 0.00 H
ATOM 385 H8 DG A 12 5.642 -3.159 -2.155 1.00 0.00 H
ATOM 386 H1 DG A 12 6.265 -1.138 3.932 1.00 0.00 H
ATOM 387 H21 DG A 12 8.054 -2.181 4.835 1.00 0.00 H
ATOM 388 H22 DG A 12 9.057 -3.219 3.833 1.00 0.00 H
ATOM 389 P DG A 13 8.460 -4.794 -5.870 1.00 0.00 P
ATOM 390 OP1 DG A 13 7.030 -5.161 -5.678 1.00 0.00 O
ATOM 391 OP2 DG A 13 9.271 -5.567 -6.852 1.00 0.00 O
ATOM 392 O5' DG A 13 8.623 -3.213 -6.210 1.00 0.00 O
ATOM 393 C5' DG A 13 7.730 -2.459 -7.024 1.00 0.00 C
ATOM 394 C4' DG A 13 6.303 -2.229 -6.470 1.00 0.00 C
ATOM 395 O4' DG A 13 6.228 -1.907 -5.083 1.00 0.00 O
ATOM 396 C3' DG A 13 5.619 -1.080 -7.236 1.00 0.00 C
ATOM 397 O3' DG A 13 4.535 -1.565 -8.025 1.00 0.00 O
ATOM 398 C2' DG A 13 5.228 -0.094 -6.131 1.00 0.00 C
ATOM 399 C1' DG A 13 5.161 -0.986 -4.895 1.00 0.00 C
ATOM 400 N9 DG A 13 5.368 -0.242 -3.624 1.00 0.00 N
ATOM 401 C8 DG A 13 6.554 -0.041 -2.953 1.00 0.00 C
ATOM 402 N7 DG A 13 6.430 0.554 -1.796 1.00 0.00 N
ATOM 403 C5 DG A 13 5.058 0.810 -1.717 1.00 0.00 C
ATOM 404 C6 DG A 13 4.291 1.462 -0.693 1.00 0.00 C
ATOM 405 O6 DG A 13 4.687 1.943 0.366 1.00 0.00 O
ATOM 406 N1 DG A 13 2.945 1.538 -0.971 1.00 0.00 N
ATOM 407 C2 DG A 13 2.381 1.041 -2.099 1.00 0.00 C
ATOM 408 N2 DG A 13 1.088 1.203 -2.243 1.00 0.00 N
ATOM 409 N3 DG A 13 3.050 0.431 -3.081 1.00 0.00 N
ATOM 410 C4 DG A 13 4.396 0.340 -2.832 1.00 0.00 C
ATOM 411 H5' DG A 13 7.644 -2.932 -8.003 1.00 0.00 H
ATOM 412 H5'' DG A 13 8.188 -1.480 -7.175 1.00 0.00 H
ATOM 413 H4' DG A 13 5.722 -3.137 -6.640 1.00 0.00 H
ATOM 414 H3' DG A 13 6.355 -0.590 -7.871 1.00 0.00 H
ATOM 415 H2' DG A 13 6.005 0.661 -6.012 1.00 0.00 H
ATOM 416 H2'' DG A 13 4.262 0.370 -6.329 1.00 0.00 H
ATOM 417 H1' DG A 13 4.194 -1.500 -4.883 1.00 0.00 H
ATOM 418 H8 DG A 13 7.506 -0.378 -3.350 1.00 0.00 H
ATOM 419 H1 DG A 13 2.375 2.012 -0.289 1.00 0.00 H
ATOM 420 H21 DG A 13 0.531 1.639 -1.520 1.00 0.00 H
ATOM 421 H22 DG A 13 0.674 0.761 -3.053 1.00 0.00 H
ATOM 422 P DG A 14 4.208 -0.961 -9.502 1.00 0.00 P
ATOM 423 OP1 DG A 14 3.554 -2.037 -10.298 1.00 0.00 O
ATOM 424 OP2 DG A 14 5.439 -0.336 -10.062 1.00 0.00 O
ATOM 425 O5' DG A 14 3.137 0.224 -9.232 1.00 0.00 O
ATOM 426 C5' DG A 14 1.745 -0.057 -9.113 1.00 0.00 C
ATOM 427 C4' DG A 14 0.870 1.183 -8.839 1.00 0.00 C
ATOM 428 O4' DG A 14 1.060 1.605 -7.489 1.00 0.00 O
ATOM 429 C3' DG A 14 1.204 2.373 -9.766 1.00 0.00 C
ATOM 430 O3' DG A 14 0.053 3.104 -10.187 1.00 0.00 O
ATOM 431 C2' DG A 14 2.054 3.250 -8.850 1.00 0.00 C
ATOM 432 C1' DG A 14 1.420 2.975 -7.485 1.00 0.00 C
ATOM 433 N9 DG A 14 2.287 3.274 -6.318 1.00 0.00 N
ATOM 434 C8 DG A 14 3.653 3.163 -6.178 1.00 0.00 C
ATOM 435 N7 DG A 14 4.109 3.485 -4.993 1.00 0.00 N
ATOM 436 C5 DG A 14 2.948 3.850 -4.298 1.00 0.00 C
ATOM 437 C6 DG A 14 2.760 4.314 -2.952 1.00 0.00 C
ATOM 438 O6 DG A 14 3.606 4.475 -2.077 1.00 0.00 O
ATOM 439 N1 DG A 14 1.453 4.620 -2.642 1.00 0.00 N
ATOM 440 C2 DG A 14 0.428 4.502 -3.521 1.00 0.00 C
ATOM 441 N2 DG A 14 -0.758 4.888 -3.133 1.00 0.00 N
ATOM 442 N3 DG A 14 0.547 4.073 -4.775 1.00 0.00 N
ATOM 443 C4 DG A 14 1.837 3.750 -5.106 1.00 0.00 C
ATOM 444 H5' DG A 14 1.591 -0.774 -8.308 1.00 0.00 H
ATOM 445 H5'' DG A 14 1.414 -0.532 -10.035 1.00 0.00 H
ATOM 446 H4' DG A 14 -0.179 0.913 -8.971 1.00 0.00 H
ATOM 447 H3' DG A 14 1.794 2.051 -10.628 1.00 0.00 H
ATOM 448 H2' DG A 14 3.089 2.914 -8.882 1.00 0.00 H
ATOM 449 H2'' DG A 14 1.990 4.306 -9.117 1.00 0.00 H
ATOM 450 H1' DG A 14 0.507 3.572 -7.409 1.00 0.00 H
ATOM 451 H8 DG A 14 4.293 2.818 -6.983 1.00 0.00 H
ATOM 452 H1 DG A 14 1.284 4.991 -1.720 1.00 0.00 H
ATOM 453 H21 DG A 14 -0.919 5.251 -2.200 1.00 0.00 H
ATOM 454 H22 DG A 14 -1.500 4.866 -3.811 1.00 0.00 H
ATOM 455 P DA A 15 -0.746 2.751 -11.555 1.00 0.00 P
ATOM 456 OP1 DA A 15 0.241 2.628 -12.663 1.00 0.00 O
ATOM 457 OP2 DA A 15 -1.830 3.760 -11.692 1.00 0.00 O
ATOM 458 O5' DA A 15 -1.457 1.315 -11.300 1.00 0.00 O
ATOM 459 C5' DA A 15 -0.887 0.087 -11.756 1.00 0.00 C
ATOM 460 C4' DA A 15 -1.563 -1.171 -11.165 1.00 0.00 C
ATOM 461 O4' DA A 15 -1.450 -1.182 -9.740 1.00 0.00 O
ATOM 462 C3' DA A 15 -3.061 -1.223 -11.526 1.00 0.00 C
ATOM 463 O3' DA A 15 -3.554 -2.523 -11.843 1.00 0.00 O
ATOM 464 C2' DA A 15 -3.693 -0.707 -10.238 1.00 0.00 C
ATOM 465 C1' DA A 15 -2.743 -1.216 -9.145 1.00 0.00 C
ATOM 466 N9 DA A 15 -2.794 -0.405 -7.890 1.00 0.00 N
ATOM 467 C8 DA A 15 -3.705 0.568 -7.531 1.00 0.00 C
ATOM 468 N7 DA A 15 -3.428 1.197 -6.419 1.00 0.00 N
ATOM 469 C5 DA A 15 -2.300 0.511 -5.949 1.00 0.00 C
ATOM 470 C6 DA A 15 -1.505 0.601 -4.778 1.00 0.00 C
ATOM 471 N6 DA A 15 -1.689 1.498 -3.823 1.00 0.00 N
ATOM 472 N1 DA A 15 -0.516 -0.259 -4.534 1.00 0.00 N
ATOM 473 C2 DA A 15 -0.296 -1.205 -5.445 1.00 0.00 C
ATOM 474 N3 DA A 15 -0.933 -1.405 -6.596 1.00 0.00 N
ATOM 475 C4 DA A 15 -1.935 -0.500 -6.804 1.00 0.00 C
ATOM 476 H5' DA A 15 0.172 0.063 -11.514 1.00 0.00 H
ATOM 477 H5'' DA A 15 -0.968 0.041 -12.843 1.00 0.00 H
ATOM 478 H4' DA A 15 -1.061 -2.050 -11.573 1.00 0.00 H
ATOM 479 H3' DA A 15 -3.276 -0.551 -12.362 1.00 0.00 H
ATOM 480 H2' DA A 15 -3.703 0.384 -10.263 1.00 0.00 H
ATOM 481 H2'' DA A 15 -4.702 -1.089 -10.108 1.00 0.00 H
ATOM 482 H1' DA A 15 -2.997 -2.254 -8.910 1.00 0.00 H
ATOM 483 H8 DA A 15 -4.570 0.817 -8.133 1.00 0.00 H
ATOM 484 H61 DA A 15 -1.080 1.503 -3.025 1.00 0.00 H
ATOM 485 H62 DA A 15 -2.413 2.186 -3.957 1.00 0.00 H
ATOM 486 H2 DA A 15 0.484 -1.926 -5.226 1.00 0.00 H
ATOM 487 P DC A 16 -3.123 -3.290 -13.211 1.00 0.00 P
ATOM 488 OP1 DC A 16 -2.314 -2.370 -14.055 1.00 0.00 O
ATOM 489 OP2 DC A 16 -4.346 -3.899 -13.807 1.00 0.00 O
ATOM 490 O5' DC A 16 -2.136 -4.469 -12.698 1.00 0.00 O
ATOM 491 C5' DC A 16 -2.653 -5.682 -12.159 1.00 0.00 C
ATOM 492 C4' DC A 16 -1.594 -6.686 -11.661 1.00 0.00 C
ATOM 493 O4' DC A 16 -0.687 -7.041 -12.713 1.00 0.00 O
ATOM 494 C3' DC A 16 -0.751 -6.148 -10.487 1.00 0.00 C
ATOM 495 O3' DC A 16 -0.496 -7.205 -9.559 1.00 0.00 O
ATOM 496 C2' DC A 16 0.511 -5.668 -11.204 1.00 0.00 C
ATOM 497 C1' DC A 16 0.642 -6.684 -12.341 1.00 0.00 C
ATOM 498 N1 DC A 16 1.414 -6.157 -13.507 1.00 0.00 N
ATOM 499 C2 DC A 16 2.654 -6.736 -13.830 1.00 0.00 C
ATOM 500 O2 DC A 16 3.120 -7.688 -13.194 1.00 0.00 O
ATOM 501 N3 DC A 16 3.393 -6.263 -14.868 1.00 0.00 N
ATOM 502 C4 DC A 16 2.919 -5.248 -15.560 1.00 0.00 C
ATOM 503 N4 DC A 16 3.671 -4.836 -16.544 1.00 0.00 N
ATOM 504 C5 DC A 16 1.672 -4.620 -15.289 1.00 0.00 C
ATOM 505 C6 DC A 16 0.943 -5.102 -14.251 1.00 0.00 C
ATOM 506 H5' DC A 16 -3.256 -6.183 -12.918 1.00 0.00 H
ATOM 507 H5'' DC A 16 -3.307 -5.441 -11.323 1.00 0.00 H
ATOM 508 H4' DC A 16 -2.145 -7.574 -11.333 1.00 0.00 H
ATOM 509 H3' DC A 16 -1.262 -5.318 -9.992 1.00 0.00 H
ATOM 510 H2' DC A 16 0.353 -4.661 -11.588 1.00 0.00 H
ATOM 511 H2'' DC A 16 1.389 -5.684 -10.561 1.00 0.00 H
ATOM 512 H1' DC A 16 1.155 -7.564 -11.934 1.00 0.00 H
ATOM 513 H41 DC A 16 4.547 -5.310 -16.698 1.00 0.00 H
ATOM 514 H42 DC A 16 3.369 -4.062 -17.113 1.00 0.00 H
ATOM 515 H5 DC A 16 1.298 -3.791 -15.872 1.00 0.00 H
ATOM 516 H6 DC A 16 -0.019 -4.666 -14.002 1.00 0.00 H
ATOM 517 P DA A 17 -0.079 -6.932 -8.011 1.00 0.00 P
ATOM 518 OP1 DA A 17 1.078 -5.994 -7.982 1.00 0.00 O
ATOM 519 OP2 DA A 17 0.071 -8.264 -7.365 1.00 0.00 O
ATOM 520 O5' DA A 17 -1.390 -6.215 -7.368 1.00 0.00 O
ATOM 521 C5' DA A 17 -1.283 -5.271 -6.301 1.00 0.00 C
ATOM 522 C4' DA A 17 -2.636 -4.745 -5.779 1.00 0.00 C
ATOM 523 O4' DA A 17 -3.332 -4.065 -6.832 1.00 0.00 O
ATOM 524 C3' DA A 17 -3.550 -5.865 -5.229 1.00 0.00 C
ATOM 525 O3' DA A 17 -4.265 -5.456 -4.058 1.00 0.00 O
ATOM 526 C2' DA A 17 -4.478 -6.055 -6.423 1.00 0.00 C
ATOM 527 C1' DA A 17 -4.631 -4.621 -6.920 1.00 0.00 C
ATOM 528 N9 DA A 17 -5.205 -4.536 -8.286 1.00 0.00 N
ATOM 529 C8 DA A 17 -5.217 -5.489 -9.282 1.00 0.00 C
ATOM 530 N7 DA A 17 -5.911 -5.162 -10.342 1.00 0.00 N
ATOM 531 C5 DA A 17 -6.402 -3.886 -10.012 1.00 0.00 C
ATOM 532 C6 DA A 17 -7.235 -2.932 -10.653 1.00 0.00 C
ATOM 533 N6 DA A 17 -7.759 -3.057 -11.860 1.00 0.00 N
ATOM 534 N1 DA A 17 -7.600 -1.802 -10.041 1.00 0.00 N
ATOM 535 C2 DA A 17 -7.140 -1.585 -8.814 1.00 0.00 C
ATOM 536 N3 DA A 17 -6.335 -2.361 -8.094 1.00 0.00 N
ATOM 537 C4 DA A 17 -5.995 -3.509 -8.757 1.00 0.00 C
ATOM 538 H5' DA A 17 -0.693 -4.415 -6.634 1.00 0.00 H
ATOM 539 H5'' DA A 17 -0.755 -5.734 -5.467 1.00 0.00 H
ATOM 540 H4' DA A 17 -2.427 -4.041 -4.975 1.00 0.00 H
ATOM 541 H3' DA A 17 -2.973 -6.770 -5.035 1.00 0.00 H
ATOM 542 H2' DA A 17 -3.983 -6.687 -7.158 1.00 0.00 H
ATOM 543 H2'' DA A 17 -5.445 -6.476 -6.161 1.00 0.00 H
ATOM 544 H1' DA A 17 -5.288 -4.088 -6.227 1.00 0.00 H
ATOM 545 H8 DA A 17 -4.694 -6.435 -9.183 1.00 0.00 H
ATOM 546 H61 DA A 17 -7.519 -3.862 -12.422 1.00 0.00 H
ATOM 547 H62 DA A 17 -8.337 -2.311 -12.214 1.00 0.00 H
ATOM 548 H2 DA A 17 -7.452 -0.659 -8.348 1.00 0.00 H
ATOM 549 P DC A 18 -5.094 -6.491 -3.098 1.00 0.00 P
ATOM 550 OP1 DC A 18 -5.797 -7.511 -3.928 1.00 0.00 O
ATOM 551 OP2 DC A 18 -5.929 -5.663 -2.185 1.00 0.00 O
ATOM 552 O5' DC A 18 -4.006 -7.258 -2.164 1.00 0.00 O
ATOM 553 C5' DC A 18 -3.240 -8.361 -2.636 1.00 0.00 C
ATOM 554 C4' DC A 18 -2.646 -9.177 -1.472 1.00 0.00 C
ATOM 555 O4' DC A 18 -2.090 -10.380 -2.007 1.00 0.00 O
ATOM 556 C3' DC A 18 -1.507 -8.438 -0.745 1.00 0.00 C
ATOM 557 O3' DC A 18 -1.344 -8.856 0.611 1.00 0.00 O
ATOM 558 C2' DC A 18 -0.302 -8.921 -1.544 1.00 0.00 C
ATOM 559 C1' DC A 18 -0.688 -10.381 -1.774 1.00 0.00 C
ATOM 560 N1 DC A 18 0.046 -11.023 -2.903 1.00 0.00 N
ATOM 561 C2 DC A 18 0.921 -12.090 -2.634 1.00 0.00 C
ATOM 562 O2 DC A 18 1.104 -12.516 -1.488 1.00 0.00 O
ATOM 563 N3 DC A 18 1.606 -12.699 -3.637 1.00 0.00 N
ATOM 564 C4 DC A 18 1.427 -12.262 -4.866 1.00 0.00 C
ATOM 565 N4 DC A 18 2.110 -12.883 -5.789 1.00 0.00 N
ATOM 566 C5 DC A 18 0.559 -11.190 -5.206 1.00 0.00 C
ATOM 567 C6 DC A 18 -0.120 -10.586 -4.197 1.00 0.00 C
ATOM 568 H5' DC A 18 -2.434 -8.000 -3.276 1.00 0.00 H
ATOM 569 H5'' DC A 18 -3.873 -9.023 -3.230 1.00 0.00 H
ATOM 570 H4' DC A 18 -3.442 -9.415 -0.766 1.00 0.00 H
ATOM 571 H3' DC A 18 -1.618 -7.356 -0.823 1.00 0.00 H
ATOM 572 H2' DC A 18 -0.236 -8.382 -2.486 1.00 0.00 H
ATOM 573 H2'' DC A 18 0.628 -8.829 -0.983 1.00 0.00 H
ATOM 574 H1' DC A 18 -0.486 -10.911 -0.837 1.00 0.00 H
ATOM 575 H41 DC A 18 2.715 -13.635 -5.501 1.00 0.00 H
ATOM 576 H42 DC A 18 2.024 -12.596 -6.751 1.00 0.00 H
ATOM 577 H5 DC A 18 0.427 -10.846 -6.221 1.00 0.00 H
ATOM 578 H6 DC A 18 -0.803 -9.764 -4.403 1.00 0.00 H
ATOM 579 P DA A 19 -2.041 -8.088 1.856 1.00 0.00 P
ATOM 580 OP1 DA A 19 -1.830 -8.941 3.060 1.00 0.00 O
ATOM 581 OP2 DA A 19 -3.436 -7.711 1.498 1.00 0.00 O
ATOM 582 O5' DA A 19 -1.126 -6.759 2.038 1.00 0.00 O
ATOM 583 C5' DA A 19 -1.429 -5.512 1.410 1.00 0.00 C
ATOM 584 C4' DA A 19 -0.165 -4.703 1.056 1.00 0.00 C
ATOM 585 O4' DA A 19 0.651 -4.486 2.217 1.00 0.00 O
ATOM 586 C3' DA A 19 0.712 -5.427 0.011 1.00 0.00 C
ATOM 587 O3' DA A 19 1.173 -4.558 -1.017 1.00 0.00 O
ATOM 588 C2' DA A 19 1.889 -5.895 0.848 1.00 0.00 C
ATOM 589 C1' DA A 19 1.997 -4.742 1.843 1.00 0.00 C
ATOM 590 N9 DA A 19 2.922 -5.024 2.976 1.00 0.00 N
ATOM 591 C8 DA A 19 3.721 -6.130 3.182 1.00 0.00 C
ATOM 592 N7 DA A 19 4.649 -5.975 4.092 1.00 0.00 N
ATOM 593 C5 DA A 19 4.429 -4.664 4.540 1.00 0.00 C
ATOM 594 C6 DA A 19 5.067 -3.804 5.470 1.00 0.00 C
ATOM 595 N6 DA A 19 6.167 -4.080 6.151 1.00 0.00 N
ATOM 596 N1 DA A 19 4.601 -2.587 5.714 1.00 0.00 N
ATOM 597 C2 DA A 19 3.527 -2.188 5.049 1.00 0.00 C
ATOM 598 N3 DA A 19 2.847 -2.847 4.113 1.00 0.00 N
ATOM 599 C4 DA A 19 3.352 -4.096 3.904 1.00 0.00 C
ATOM 600 H5' DA A 19 -2.063 -4.920 2.073 1.00 0.00 H
ATOM 601 H5'' DA A 19 -1.987 -5.678 0.488 1.00 0.00 H
ATOM 602 H4' DA A 19 -0.474 -3.745 0.636 1.00 0.00 H
ATOM 603 H3' DA A 19 0.201 -6.290 -0.414 1.00 0.00 H
ATOM 604 H2' DA A 19 1.611 -6.824 1.346 1.00 0.00 H
ATOM 605 H2'' DA A 19 2.796 -6.016 0.254 1.00 0.00 H
ATOM 606 H1' DA A 19 2.372 -3.867 1.305 1.00 0.00 H
ATOM 607 H8 DA A 19 3.603 -7.049 2.619 1.00 0.00 H
ATOM 608 H61 DA A 19 6.641 -4.956 6.000 1.00 0.00 H
ATOM 609 H62 DA A 19 6.571 -3.334 6.693 1.00 0.00 H
ATOM 610 H2 DA A 19 3.138 -1.216 5.323 1.00 0.00 H
ATOM 611 P DG A 20 0.499 -4.595 -2.492 1.00 0.00 P
ATOM 612 OP1 DG A 20 0.631 -5.983 -3.016 1.00 0.00 O
ATOM 613 OP2 DG A 20 1.112 -3.487 -3.275 1.00 0.00 O
ATOM 614 O5' DG A 20 -1.087 -4.289 -2.239 1.00 0.00 O
ATOM 615 C5' DG A 20 -1.622 -2.977 -2.368 1.00 0.00 C
ATOM 616 C4' DG A 20 -2.975 -2.790 -1.647 1.00 0.00 C
ATOM 617 O4' DG A 20 -2.744 -2.599 -0.246 1.00 0.00 O
ATOM 618 C3' DG A 20 -3.695 -1.519 -2.152 1.00 0.00 C
ATOM 619 O3' DG A 20 -5.114 -1.645 -1.960 1.00 0.00 O
ATOM 620 C2' DG A 20 -3.081 -0.477 -1.225 1.00 0.00 C
ATOM 621 C1' DG A 20 -3.075 -1.254 0.087 1.00 0.00 C
ATOM 622 N9 DG A 20 -2.190 -0.634 1.104 1.00 0.00 N
ATOM 623 C8 DG A 20 -2.579 0.086 2.208 1.00 0.00 C
ATOM 624 N7 DG A 20 -1.591 0.456 2.982 1.00 0.00 N
ATOM 625 C5 DG A 20 -0.456 -0.025 2.318 1.00 0.00 C
ATOM 626 C6 DG A 20 0.941 0.057 2.655 1.00 0.00 C
ATOM 627 O6 DG A 20 1.452 0.561 3.655 1.00 0.00 O
ATOM 628 N1 DG A 20 1.774 -0.509 1.711 1.00 0.00 N
ATOM 629 C2 DG A 20 1.322 -1.111 0.585 1.00 0.00 C
ATOM 630 N2 DG A 20 2.195 -1.665 -0.216 1.00 0.00 N
ATOM 631 N3 DG A 20 0.045 -1.204 0.234 1.00 0.00 N
ATOM 632 C4 DG A 20 -0.810 -0.653 1.145 1.00 0.00 C
ATOM 633 H5' DG A 20 -1.746 -2.749 -3.426 1.00 0.00 H
ATOM 634 H5'' DG A 20 -0.903 -2.268 -1.962 1.00 0.00 H
ATOM 635 H4' DG A 20 -3.602 -3.666 -1.828 1.00 0.00 H
ATOM 636 H3' DG A 20 -3.455 -1.317 -3.198 1.00 0.00 H
ATOM 637 H2' DG A 20 -2.068 -0.231 -1.537 1.00 0.00 H
ATOM 638 H2'' DG A 20 -3.666 0.428 -1.168 1.00 0.00 H
ATOM 639 H1' DG A 20 -4.098 -1.246 0.471 1.00 0.00 H
ATOM 640 H8 DG A 20 -3.623 0.304 2.417 1.00 0.00 H
ATOM 641 H1 DG A 20 2.763 -0.498 1.903 1.00 0.00 H
ATOM 642 H21 DG A 20 3.186 -1.658 -0.027 1.00 0.00 H
ATOM 643 H22 DG A 20 1.823 -2.184 -0.998 1.00 0.00 H
ATOM 644 P DG A 21 -6.197 -0.553 -2.504 1.00 0.00 P
ATOM 645 OP1 DG A 21 -7.555 -1.154 -2.376 1.00 0.00 O
ATOM 646 OP2 DG A 21 -5.761 -0.094 -3.850 1.00 0.00 O
ATOM 647 O5' DG A 21 -6.115 0.724 -1.498 1.00 0.00 O
ATOM 648 C5' DG A 21 -6.785 0.766 -0.236 1.00 0.00 C
ATOM 649 C4' DG A 21 -6.351 1.989 0.597 1.00 0.00 C
ATOM 650 O4' DG A 21 -4.950 1.944 0.846 1.00 0.00 O
ATOM 651 C3' DG A 21 -6.673 3.331 -0.091 1.00 0.00 C
ATOM 652 O3' DG A 21 -7.635 4.056 0.677 1.00 0.00 O
ATOM 653 C2' DG A 21 -5.306 4.033 -0.171 1.00 0.00 C
ATOM 654 C1' DG A 21 -4.442 3.265 0.828 1.00 0.00 C
ATOM 655 N9 DG A 21 -2.993 3.217 0.498 1.00 0.00 N
ATOM 656 C8 DG A 21 -2.377 2.820 -0.669 1.00 0.00 C
ATOM 657 N7 DG A 21 -1.082 2.650 -0.576 1.00 0.00 N
ATOM 658 C5 DG A 21 -0.814 3.056 0.739 1.00 0.00 C
ATOM 659 C6 DG A 21 0.420 3.134 1.470 1.00 0.00 C
ATOM 660 O6 DG A 21 1.541 2.789 1.110 1.00 0.00 O
ATOM 661 N1 DG A 21 0.287 3.667 2.734 1.00 0.00 N
ATOM 662 C2 DG A 21 -0.895 4.060 3.264 1.00 0.00 C
ATOM 663 N2 DG A 21 -0.872 4.637 4.438 1.00 0.00 N
ATOM 664 N3 DG A 21 -2.071 3.967 2.647 1.00 0.00 N
ATOM 665 C4 DG A 21 -1.967 3.456 1.381 1.00 0.00 C
ATOM 666 H5' DG A 21 -6.608 -0.145 0.343 1.00 0.00 H
ATOM 667 H5'' DG A 21 -7.859 0.829 -0.404 1.00 0.00 H
ATOM 668 H4' DG A 21 -6.872 1.959 1.557 1.00 0.00 H
ATOM 669 H3' DG A 21 -7.075 3.144 -1.092 1.00 0.00 H
ATOM 670 H2' DG A 21 -4.898 3.965 -1.179 1.00 0.00 H
ATOM 671 H2'' DG A 21 -5.371 5.077 0.125 1.00 0.00 H
ATOM 672 H1' DG A 21 -4.572 3.716 1.816 1.00 0.00 H
ATOM 673 H8 DG A 21 -2.934 2.621 -1.575 1.00 0.00 H
ATOM 674 H1 DG A 21 1.129 3.807 3.270 1.00 0.00 H
ATOM 675 H21 DG A 21 -0.006 4.847 4.923 1.00 0.00 H
ATOM 676 H22 DG A 21 -1.748 4.957 4.812 1.00 0.00 H
ATOM 677 P DG A 22 -8.345 5.420 0.148 1.00 0.00 P
ATOM 678 OP1 DG A 22 -9.664 5.537 0.827 1.00 0.00 O
ATOM 679 OP2 DG A 22 -8.315 5.440 -1.340 1.00 0.00 O
ATOM 680 O5' DG A 22 -7.386 6.609 0.686 1.00 0.00 O
ATOM 681 C5' DG A 22 -7.336 6.941 2.072 1.00 0.00 C
ATOM 682 C4' DG A 22 -6.143 7.834 2.457 1.00 0.00 C
ATOM 683 O4' DG A 22 -4.918 7.129 2.241 1.00 0.00 O
ATOM 684 C3' DG A 22 -6.060 9.163 1.674 1.00 0.00 C
ATOM 685 O3' DG A 22 -5.733 10.217 2.585 1.00 0.00 O
ATOM 686 C2' DG A 22 -4.932 8.857 0.684 1.00 0.00 C
ATOM 687 C1' DG A 22 -4.035 8.022 1.591 1.00 0.00 C
ATOM 688 N9 DG A 22 -2.931 7.323 0.899 1.00 0.00 N
ATOM 689 C8 DG A 22 -2.910 6.704 -0.330 1.00 0.00 C
ATOM 690 N7 DG A 22 -1.743 6.225 -0.670 1.00 0.00 N
ATOM 691 C5 DG A 22 -0.924 6.578 0.407 1.00 0.00 C
ATOM 692 C6 DG A 22 0.476 6.361 0.637 1.00 0.00 C
ATOM 693 O6 DG A 22 1.282 5.768 -0.073 1.00 0.00 O
ATOM 694 N1 DG A 22 0.931 6.893 1.821 1.00 0.00 N
ATOM 695 C2 DG A 22 0.146 7.550 2.706 1.00 0.00 C
ATOM 696 N2 DG A 22 0.717 8.021 3.784 1.00 0.00 N
ATOM 697 N3 DG A 22 -1.158 7.765 2.546 1.00 0.00 N
ATOM 698 C4 DG A 22 -1.639 7.254 1.369 1.00 0.00 C
ATOM 699 H5' DG A 22 -7.266 6.023 2.660 1.00 0.00 H
ATOM 700 H5'' DG A 22 -8.259 7.450 2.354 1.00 0.00 H
ATOM 701 H4' DG A 22 -6.232 8.064 3.522 1.00 0.00 H
ATOM 702 H3' DG A 22 -7.000 9.379 1.161 1.00 0.00 H
ATOM 703 H2' DG A 22 -5.314 8.266 -0.149 1.00 0.00 H
ATOM 704 H2'' DG A 22 -4.424 9.746 0.315 1.00 0.00 H
ATOM 705 H1' DG A 22 -3.599 8.691 2.337 1.00 0.00 H
ATOM 706 H8 DG A 22 -3.785 6.611 -0.960 1.00 0.00 H
ATOM 707 H1 DG A 22 1.914 6.796 2.022 1.00 0.00 H
ATOM 708 H21 DG A 22 1.713 7.929 3.951 1.00 0.00 H
ATOM 709 H22 DG A 22 0.136 8.500 4.449 1.00 0.00 H
ATOM 710 P DT A 23 -5.472 11.750 2.126 1.00 0.00 P
ATOM 711 OP1 DT A 23 -5.729 12.623 3.303 1.00 0.00 O
ATOM 712 OP2 DT A 23 -6.236 12.014 0.876 1.00 0.00 O
ATOM 713 O5' DT A 23 -3.886 11.814 1.777 1.00 0.00 O
ATOM 714 C5' DT A 23 -2.891 11.653 2.787 1.00 0.00 C
ATOM 715 C4' DT A 23 -1.478 12.078 2.343 1.00 0.00 C
ATOM 716 O4' DT A 23 -0.893 11.190 1.395 1.00 0.00 O
ATOM 717 C3' DT A 23 -1.448 13.491 1.723 1.00 0.00 C
ATOM 718 O3' DT A 23 -0.602 14.368 2.462 1.00 0.00 O
ATOM 719 C2' DT A 23 -0.836 13.239 0.343 1.00 0.00 C
ATOM 720 C1' DT A 23 -0.018 11.977 0.601 1.00 0.00 C
ATOM 721 N1 DT A 23 0.403 11.326 -0.671 1.00 0.00 N
ATOM 722 C2 DT A 23 1.565 11.805 -1.297 1.00 0.00 C
ATOM 723 O2 DT A 23 2.275 12.699 -0.835 1.00 0.00 O
ATOM 724 N3 DT A 23 1.903 11.236 -2.504 1.00 0.00 N
ATOM 725 C4 DT A 23 1.203 10.237 -3.148 1.00 0.00 C
ATOM 726 O4 DT A 23 1.616 9.835 -4.237 1.00 0.00 O
ATOM 727 C5 DT A 23 0.007 9.775 -2.442 1.00 0.00 C
ATOM 728 C7 DT A 23 -0.859 8.684 -3.049 1.00 0.00 C
ATOM 729 C6 DT A 23 -0.355 10.327 -1.251 1.00 0.00 C
ATOM 730 H5' DT A 23 -2.860 10.612 3.114 1.00 0.00 H
ATOM 731 H5'' DT A 23 -3.155 12.265 3.651 1.00 0.00 H
ATOM 732 H4' DT A 23 -0.841 12.085 3.230 1.00 0.00 H
ATOM 733 H3' DT A 23 -2.455 13.913 1.644 1.00 0.00 H
ATOM 734 HO3' DT A 23 -0.735 15.289 2.148 1.00 0.00 H
ATOM 735 H2' DT A 23 -1.613 13.033 -0.397 1.00 0.00 H
ATOM 736 H2'' DT A 23 -0.206 14.066 0.014 1.00 0.00 H
ATOM 737 H1' DT A 23 0.866 12.242 1.191 1.00 0.00 H
ATOM 738 H3 DT A 23 2.731 11.580 -2.957 1.00 0.00 H
ATOM 739 H71 DT A 23 -1.173 8.984 -4.050 1.00 0.00 H
ATOM 740 H72 DT A 23 -0.275 7.768 -3.132 1.00 0.00 H
ATOM 741 H73 DT A 23 -1.743 8.496 -2.441 1.00 0.00 H
ATOM 742 H6 DT A 23 -1.255 9.990 -0.749 1.00 0.00 H
TER 743 DT A 23
ENDMDL
MASTER 0 0 0 0 0 0 0 6 485 1 0 2
END

42
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@@ -0,0 +1,42 @@
{
"dsDNA_basic": {
"input": "./input_pdbs/1bna.pdb",
"contig": "A1-10,/0,B15-24,/0,120-130",
"length": "140-150",
"ori_token": [24,20,10]
},
"dsDNA_complex": {
"input": "./input_pdbs/2r5z.pdb",
"contig": "C5-18,/0,D24-37,/0,40-50,A146-154,80-90",
"length": "147-167",
"unindex": "/0,/0,B251-B255",
"select_fixed_atoms": {
"C9-14":"ALL",
"D28-33":"ALL",
"C5-8,C15-18": "",
"D24-27,D34-37": ""
},
"ori_token":[25,35,20],
"select_hbond_acceptor": {"C16":"N7,O6", "D31-32":"N7", "D28-30":"OP1,OP2,O3',O5'"},
"select_hbond_donor": {"D31-32":"N6"}
},
"ssDNA_basic": {
"input": "./input_pdbs/5o4d.pdb",
"contig": "A1-23,/0,120-130",
"length": "143-153",
"ori_token": [-5,-10,8]
},
"ssDNA_diffused_from_dsDNA_pdb":{
"input": "./input_pdbs/1bna.pdb",
"contig": "A1-10,/0,120-130",
"length": "130-140",
"select_fixed_atoms": {"A1-10":""}
},
"RNA_basic": {
"input": "./input_pdbs/1q75.pdb",
"contig": "A1-15,/0,120-130",
"length": "135-145",
"ori_token": [15,2,-4]
}
}

16
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@@ -0,0 +1,16 @@
#!/bin/bash
foundry=../../../../
export PYTHONPATH="$foundry/src:$foundry/models/rfd3/src/"
outdir=./na_tutorial_outputs/
rm $outdir/*
ckpt_path=rfd3_foundry_2025_12_01.ckpt
python $foundry/src/foundry/inference.py ckpt_path=$ckpt_path out_dir=$outdir inputs=./na_tutorial.json n_batches=2 diffusion_batch_size=3 cleanup_virtual_atoms=True
#some cleanup
rm *.hb2
rm *.pdb
rm *.dat

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1
lib/atomworks

Submodule lib/atomworks deleted from 04da3547b2

7
models/mpnn/src/mpnn/utils/inference.py
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@@ -20,7 +20,7 @@ from typing import Any
import numpy as np
from atomworks.io import parse
from atomworks.io.parser import STANDARD_PARSER_ARGS
from atomworks.io.parser import STANDARD_PARSER_ARGS, parse_atom_array
from atomworks.io.utils.atom_array_plus import (
AtomArrayPlus,
as_atom_array_plus,
@@ -712,6 +712,8 @@ class MPNNInferenceInput:
# Copy atom array.
atom_array = atom_array.copy() if atom_array is not None else None
parser_output = parse_atom_array(atom_array) if atom_array is not None else {}
atom_array = parser_output["assemblies"]["1"][0] if len(parser_output.get("assemblies", {})) > 0 else None
# Validate the input dictionary.
MPNNInferenceInput._validate_all(
@@ -733,7 +735,8 @@ class MPNNInferenceInput:
# Annotate the atom array with per-residue information from the
# input dictionary.
annotated = MPNNInferenceInput.annotate_atom_array(atom_array, input_dict)
logger.info(
f"Annotated AtomArray has {annotated.array_length()} atoms " )
return MPNNInferenceInput(atom_array=annotated, input_dict=input_dict)
@staticmethod

100
models/rfd3/README.md
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@@ -8,75 +8,83 @@
## Installation, Setup, and a Basic Design
### A. Installation using `uv`
```bash
git clone https://github.com/RosettaCommons/modelforge.git \
&& cd modelforge \
git clone https://github.com/RosettaCommons/foundry.git \
&& cd foundry \
&& uv python install 3.12 \
&& uv venv --python 3.12 \
&& source .venv/bin/activate \
&& uv pip install -e ".[rfd3]"
```
> [!IMPORTANT]
> You must install `foundry` (the root package) with `-e` first, then install `rfd3`. This ensures both packages are in editable mode for proper development workflow.
> optionally make installed venv available as ipynb kernel (helpful for running examples in `examples/all.ipynb`)
`python -m ipykernel install --user --name=foundry --display-name "foundry"`
### B. Download model weights for RFD3
```bash
wget http://files.ipd.uw.edu/pub/rfd3/rfd3_foundry_2025_12_01.ckpt
```
### C. Run a test prediction
```bash
rf3 fold inputs='tests/data/5vht_from_json.json'
```
You may then specify the specific checkpoint, if desired, with:
```bash
rf3 fold inputs='tests/data/5vht_from_json.json' ckpt_path='/path/to/rf3_921.pt'
```
**Setup**
RFD3 currently requires specific branches for `cifutils` and `datahub` so we recommend cloning the branch with submodules:
```bash
git clone -b aa_design/main git@github.com:baker-laboratory/modelhub.git
git submodule init
git submodule update --init
export PROJECT_PATH="$(pwd)/projects/aa_design"
export PROJECT_PATH="$(pwd)/models/rfd3/src:$(pwd)/src:$(pwd)/lib/atomworks/src"
source .venv/bin/activate
```
Files for RFD3 exist under this folder (`projects/aa_design`), and wrap around the components for the AF3 repro under `src/modelhub`.
The AF3 repro might not work on this branch since it is currently not kept up to date.
If you run `inference.py` as a script (via `./src/inference.py`), then the shebang file should take care of the submodule paths for you (if you cloned the submodules). Otherwise, add the following to your environment;
Files for RFD3 exist under this folder (`models/rfd3`), and wrap around the components of RF3 under `src/foundry/`.
```
chmod +x src/modelhub/*.py
chmod +x src/foundry/*.py
```
## Inference:
The following checkpoint is updated continuously (see channel https://chat.ipd.uw.edu/ipd/channels/rfdiffusion3):
```bash
cur_ckpt=/projects/ml/aa_design/models/rfd3_latest.ckpt
```bash
cur_ckpt=rfd3_foundry_2025_12_01.ckpt
```
To run inference, use:
To run inference
```bash
./src/modelhub/inference.py out_dir=logs/inference_outs/demo/0 ckpt_path=$cur_ckpt inputs=projects/aa_design/tests/test_data/demo.json print_config=True dump_trajectories=True
python ./src/foundry/inference.py out_dir=logs/inference_outs/demo/0 ckpt_path=$cur_ckpt inputs=models/rfd3/docs/demo.json print_config=True dump_trajectories=True
```
Additional args here are added for verbosity, aligning trajectory structures, printing the config and dumping trajectories are turned off by default.
For full details on how to specify inputs, see the `input.md` documentation.
For full details on how to specify inputs, see the [input specification documentation](./docs/input.md).
## PPI-Design
## Further example jsons for different applications
See `input.md`, please feel free to reach out to me (Rafi Brent) if you have any questions or concerns. I'm happy to help out however I can!
<table>
<tr>
<td align="center">
<h3><a href="./docs/binder_design.md">Nucleic acid binder design</a></h3>
<img src="docs/.assets/dna.png" height="150" />
</td>
<td align="center">
<h3><a href="./docs/binder_design.md">Small molecule binder design</a></h3>
<img src="docs/.assets/sm.png" height="150" />
</td>
<td align="center">
<h3><a href="./docs/binder_design.md">Protein binder design</a></h3>
<img src="docs/.assets/ppi.png" height="150" />
</td>
</tr>
<tr>
<td align="center">
<h3><a href="./docs/enzyme_design.md">Enzyme design</a></h3>
<img src="docs/.assets/enzyme.png" height="150" />
</td>
<td align="center">
<h3><a href="./docs/symmetry.md">Symmetric design</a></h3>
<img src="docs/.assets/symm.png" height="150" />
</td>
</tr>
</table>
## Enzyme-Design
See `input.md`, feel free to send jbutch or jfunk21 a message if in doubt!
## Training (w & w/o WandB): #TODO make sure correct
## Symmetric-Design
See `symmetry.md`, plese feel free to reach out to aimura or heisen if you have any questions!
## Training (w & w/o WandB):
Add `export PROJECT_PATH=$(pwd)/projects/aa_design` to `scripts/slurm/launch.sh`, where `$(pwd)` is the repositories' absolute path
You will also want to add your cifutils, datahub and modelhub (`$(pwd)`) paths to `launch.sh`.
Add `export PROJECT_PATH=$(pwd)/models/rfd3` to `scripts/slurm/launch.sh`, where `$(pwd)` is the repositories' absolute path
You will also want to add your atomworks and foundry (`$(pwd)`) paths to `launch.sh`.
To launch a training run, use:
```
@@ -89,18 +97,6 @@ defaults:
- override /logger: csv # turns off wandb logger
```
## Conditioining Pipeline
Both inference and validation passes arguments to `create_atom_array_from_design_specification`, to create an atom array with all the information needed to run inference.
This is then passed through the same processing pipeline as in training with `is_inference=True` (pipeline in `./projects/aa_design/transforms/pipelines.py`).
<p align="center">
<img src="docs/.assets/pipeline.png" alt="Atom14 Design Pipelines">
<figcaption>Overview of important transforms in the Atom14 conditioning pipeline.
</figcaption>
</p>
## Citation
If you use this code or data in your work, please cite:
@@ -117,4 +113,4 @@ If you use this code or data in your work, please cite:
eprint = {https://www.biorxiv.org/content/early/2025/11/19/2025.09.18.676967.full.pdf},
journal = {bioRxiv}
}
```
```

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# RFdiffusion3 — Binder design examples
### simple dsDNA binder example
```json
{
"dsDNA_basic": {
"input": "./input_pdbs/1bna.pdb",
"contig": "A1-10,/0,B15-24,/0,120-130",
"length": "140-150",
"ori_token": [24,20,10]
}
}
```
### simple ssDNA binder example G-quadruplex
```json
{
"ssDNA_basic": {
"input": "./input_pdbs/5o4d.pdb",
"contig": "A1-23,/0,120-130",
"length": "143-153",
"ori_token": [-5,-10,8]
}
}
```
### ssDNA example based on DNA sequence diffused from dsDNA pdb as input
```json
{
"ssDNA_diffused_from_dsDNA_pdb":{
"input": "./input_pdbs/1bna.pdb",
"contig": "A1-10,/0,120-130",
"length": "130-140",
"select_fixed_atoms": {"A1-10":""}
}
}
```
### simple RNA binder example
```json
{
"RNA_basic": {
"input": "./input_pdbs/1q75.pdb",
"contig": "A1-15,/0,120-130",
"length": "135-145",
"ori_token": [15,2,-4]
}
}
```
### complex example based on a protein-dsDNA input pdb with parts of protein and dna partially fixed (indexed and unindexed), with Hbond conditioning
```json
{
"dsDNA_complex": {
"input": "./input_pdbs/2r5z.pdb",
"contig": "C5-18,/0,D24-37,/0,40-50,A146-154,80-90",
"length": "147-167",
"unindex": "/0,/0,B251-B255",
"select_fixed_atoms": {
"C9-14":"ALL",
"D28-33":"ALL",
"C5-8,C15-18": "",
"D24-27,D34-37": ""
},
"ori_token":[25,35,20],
"select_hbond_acceptor": {"C16":"N7,O6", "D31-32":"N7", "D28-30":"OP1,OP2,O3',O5'"},
"select_hbond_donor": {"D31-32":"N6"}
}
}
```

34
models/rfd3/docs/demo.json Normal file
View File

@@ -0,0 +1,34 @@
{
"M0255_1mg5_unfixed": {
"input": "./input_pdbs/M0255_1mg5.pdb",
"ligand": "NAI,ACT",
"unindex": "A108,A139,A152,A156",
"length": "180-200",
"select_fixed_atoms": {
"A108": "ND2,CG",
"A139": "OG,CB,CA",
"A152": "OH,CZ",
"A156": "NZ,CE,CD",
"ACT": "OXT",
"NAI": ""
}
},
"partial_diffusion": {
"input": "./input_pdbs/7v11.pdb",
"ligand": "OQO",
"partial_t": 15.0,
"contig": "A431",
"unindex": "A572-573",
"select_fixed_atoms": {
"A431": "TIP",
"A572": "BKBN",
"A573": "BKBN"
}
},
"dsDNA_basic": {
"input": "./input_pdbs/1bna.pdb",
"contig": "A1-10,/0,B15-24,/0,120-130",
"length": "140-150",
"ori_token": [24,20,10]
}
}

10
models/rfd3/src/rfd3/docs/input.md → models/rfd3/docs/input.md
View File

@@ -1,7 +1,7 @@
# RFdiffusion3 — Input specification (dialect **2**)
> **TL;DR**
> Inputs are now defined with a single `DesignInputSpecification` class.
> Inputs are now defined with a single `InputSpecification` class.
> Selections like “what’s fixed?”, “what’s sequence-free?”, “which atoms are donors/acceptors?” are all expressed with the same **InputSelection** mini-language.
> Everything is reproducibly logged back out alongside your generation.
@@ -10,7 +10,7 @@
- [What changed (high level)](#what-changed-high-level)
- [Quick start](#quick-start)
- [The `InputSelection` mini-language](#the-inputselection-mini-language)
- [Full schema: `DesignInputSpecification`](#full-schema-DesignInputSpecification)
- [Full schema: `InputSpecification`](#full-schema-inputspecification)
- [Common recipes (cookbook)](#common-recipes-cookbook)
- [Partial diffusion](#partial-diffusion)
- [Symmetry](#symmetry)
@@ -40,7 +40,7 @@
---
## DesignInputSpecification
## InputSpecification
| Field | Type | Description |
| -------------------------------------------------------------- | ----------------- | --------------------------------------------------------------------- |
@@ -169,4 +169,6 @@ A: You gave input but no contig, unindex, or partial_t.
Keyword Expands to
BKBN N, CA, C, O
TIP Residue-specific “tip” atoms
ALL All atoms of each residue
ALL All atoms of each residue

617
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@@ -0,0 +1,617 @@
HEADER DNA 26-JAN-81 XXXX
TITLE STRUCTURE OF A B-DNA DODECAMER. CONFORMATION AND DYNAMICS
KEYWDS B-DNA, DOUBLE HELIX, DNA
EXPDTA X-RAY DIFFRACTION
AUTHOR H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,R.E.DICKERSON
JRNL AUTH H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
JRNL AUTH 2 R.E.DICKERSON
JRNL TITL STRUCTURE OF A B-DNA DODECAMER: CONFORMATION AND DYNAMICS.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 78 2179 1981
JRNL REFN ISSN 0027-8424
JRNL PMID 6941276
JRNL DOI 10.1073/PNAS.78.4.2179
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
REMARK 1 TITL KINEMATIC MODEL FOR B-DNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 78 7318 1981
REMARK 1 REFN ISSN 0027-8424
REMARK 1 REFERENCE 2
REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. II. INFLUENCE OF BASE
REMARK 1 TITL 2 SEQUENCE ON HELIX STRUCTURE
REMARK 1 REF J.MOL.BIOL. V. 149 761 1981
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH H.R.DREW,R.E.DICKERSON
REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. III. GEOMETRY OF HYDRATION
REMARK 1 REF J.MOL.BIOL. V. 151 535 1981
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 4
REMARK 1 AUTH R.WING,H.R.DREW,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
REMARK 1 AUTH 2 R.E.DICKERSON
REMARK 1 TITL CRYSTAL STRUCTURE ANALYSIS OF A COMPLETE TURN OF B-DNA
REMARK 1 REF NATURE V. 287 755 1980
REMARK 1 REFN ISSN 0028-0836
SEQRES 1 A 12 DC DG DC DG DA DA DT DT DC DG DC DG
SEQRES 1 B 12 DC DG DC DG DA DA DT DT DC DG DC DG
FORMUL 3 HOH *80(H2 O)
CRYST1 24.870 40.390 66.200 90.00 90.00 90.00 P 21 21 21 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.040209 0.000000 0.000000 0.00000
SCALE2 0.000000 0.024759 0.000000 0.00000
SCALE3 0.000000 0.000000 0.015106 0.00000
MODEL 1
ATOM 1 O5' DC A 1 18.935 34.195 25.617 1.00 64.35 O
ATOM 2 C5' DC A 1 19.130 33.921 24.219 1.00 44.69 C
ATOM 3 C4' DC A 1 19.961 32.668 24.100 1.00 31.28 C
ATOM 4 O4' DC A 1 19.360 31.583 24.852 1.00 37.45 O
ATOM 5 C3' DC A 1 20.172 32.122 22.694 1.00 46.72 C
ATOM 6 O3' DC A 1 21.350 31.325 22.681 1.00 48.89 O
ATOM 7 C2' DC A 1 18.948 31.223 22.647 1.00 30.88 C
ATOM 8 C1' DC A 1 19.231 30.482 23.944 1.00 36.58 C
ATOM 9 N1 DC A 1 18.070 29.661 24.380 1.00 40.51 N
ATOM 10 C2 DC A 1 18.224 28.454 25.015 1.00 16.62 C
ATOM 11 O2 DC A 1 19.360 28.014 25.214 1.00 27.75 O
ATOM 12 N3 DC A 1 17.143 27.761 25.377 1.00 20.55 N
ATOM 13 C4 DC A 1 15.917 28.226 25.120 1.00 34.72 C
ATOM 14 N4 DC A 1 14.828 27.477 25.444 1.00 40.31 N
ATOM 15 C5 DC A 1 15.719 29.442 24.471 1.00 30.78 C
ATOM 16 C6 DC A 1 16.843 30.171 24.101 1.00 25.90 C
ATOM 17 P DG A 2 22.409 31.286 21.483 1.00 58.85 P
ATOM 18 OP1 DG A 2 23.536 32.157 21.851 1.00 57.82 O
ATOM 19 OP2 DG A 2 21.822 31.459 20.139 1.00 78.33 O
ATOM 20 O5' DG A 2 22.840 29.751 21.498 1.00 40.36 O
ATOM 21 C5' DG A 2 23.543 29.175 22.594 1.00 47.19 C
ATOM 22 C4' DG A 2 23.494 27.709 22.279 1.00 47.81 C
ATOM 23 O4' DG A 2 22.193 27.252 22.674 1.00 38.76 O
ATOM 24 C3' DG A 2 23.693 27.325 20.807 1.00 28.58 C
ATOM 25 O3' DG A 2 24.723 26.320 20.653 1.00 40.44 O
ATOM 26 C2' DG A 2 22.273 26.885 20.416 1.00 21.14 C
ATOM 27 C1' DG A 2 21.721 26.304 21.716 1.00 33.95 C
ATOM 28 N9 DG A 2 20.237 26.470 21.780 1.00 34.00 N
ATOM 29 C8 DG A 2 19.526 27.584 21.429 1.00 36.47 C
ATOM 30 N7 DG A 2 18.207 27.455 21.636 1.00 32.37 N
ATOM 31 C5 DG A 2 18.083 26.212 22.142 1.00 15.06 C
ATOM 32 C6 DG A 2 16.904 25.525 22.545 1.00 11.88 C
ATOM 33 O6 DG A 2 15.739 25.916 22.518 1.00 21.30 O
ATOM 34 N1 DG A 2 17.197 24.279 23.037 1.00 15.44 N
ATOM 35 C2 DG A 2 18.434 23.717 23.155 1.00 9.63 C
ATOM 36 N2 DG A 2 18.508 22.456 23.668 1.00 16.69 N
ATOM 37 N3 DG A 2 19.537 24.360 22.770 1.00 30.98 N
ATOM 38 C4 DG A 2 19.290 25.594 22.274 1.00 18.56 C
ATOM 39 P DC A 3 25.064 25.621 19.252 1.00 44.67 P
ATOM 40 OP1 DC A 3 26.506 25.316 19.220 1.00 53.89 O
ATOM 41 OP2 DC A 3 24.559 26.412 18.115 1.00 57.79 O
ATOM 42 O5' DC A 3 24.260 24.246 19.327 1.00 35.42 O
ATOM 43 C5' DC A 3 24.584 23.285 20.335 1.00 45.75 C
ATOM 44 C4' DC A 3 23.523 22.233 20.245 1.00 43.02 C
ATOM 45 O4' DC A 3 22.256 22.844 20.453 1.00 36.85 O
ATOM 46 C3' DC A 3 23.424 21.557 18.903 1.00 40.14 C
ATOM 47 O3' DC A 3 24.121 20.309 18.928 1.00 49.62 O
ATOM 48 C2' DC A 3 21.930 21.406 18.661 1.00 53.79 C
ATOM 49 C1' DC A 3 21.278 21.966 19.909 1.00 22.18 C
ATOM 50 N1 DC A 3 20.196 22.889 19.521 1.00 25.44 N
ATOM 51 C2 DC A 3 18.909 22.584 19.816 1.00 19.81 C
ATOM 52 O2 DC A 3 18.685 21.512 20.382 1.00 29.92 O
ATOM 53 N3 DC A 3 17.935 23.447 19.502 1.00 21.59 N
ATOM 54 C4 DC A 3 18.217 24.603 18.897 1.00 14.01 C
ATOM 55 N4 DC A 3 17.221 25.499 18.629 1.00 26.88 N
ATOM 56 C5 DC A 3 19.526 24.945 18.571 1.00 27.59 C
ATOM 57 C6 DC A 3 20.537 24.048 18.899 1.00 27.05 C
ATOM 58 P DG A 4 24.249 19.412 17.617 1.00 44.54 P
ATOM 59 OP1 DG A 4 25.420 18.535 17.765 1.00 61.90 O
ATOM 60 OP2 DG A 4 24.208 20.296 16.440 1.00 37.36 O
ATOM 61 O5' DG A 4 22.931 18.537 17.670 1.00 32.01 O
ATOM 62 C5' DG A 4 22.714 17.625 18.753 1.00 37.89 C
ATOM 63 C4' DG A 4 21.393 16.960 18.505 1.00 53.00 C
ATOM 64 O4' DG A 4 20.353 17.952 18.496 1.00 38.79 O
ATOM 65 C3' DG A 4 21.264 16.229 17.176 1.00 56.72 C
ATOM 66 O3' DG A 4 20.284 15.214 17.238 1.00 64.12 O
ATOM 67 C2' DG A 4 20.793 17.368 16.288 1.00 40.81 C
ATOM 68 C1' DG A 4 19.716 17.901 17.218 1.00 30.52 C
ATOM 69 N9 DG A 4 19.305 19.281 16.869 1.00 28.53 N
ATOM 70 C8 DG A 4 20.017 20.263 16.232 1.00 27.82 C
ATOM 71 N7 DG A 4 19.313 21.394 16.077 1.00 28.01 N
ATOM 72 C5 DG A 4 18.121 21.100 16.635 1.00 23.22 C
ATOM 73 C6 DG A 4 16.952 21.904 16.749 1.00 29.21 C
ATOM 74 O6 DG A 4 16.769 23.057 16.368 1.00 38.58 O
ATOM 75 N1 DG A 4 15.933 21.214 17.352 1.00 27.94 N
ATOM 76 C2 DG A 4 15.972 19.930 17.816 1.00 23.44 C
ATOM 77 N2 DG A 4 14.831 19.416 18.353 1.00 42.64 N
ATOM 78 N3 DG A 4 17.068 19.179 17.717 1.00 21.56 N
ATOM 79 C4 DG A 4 18.084 19.825 17.121 1.00 23.44 C
ATOM 80 P DA A 5 20.356 13.969 16.245 1.00 57.01 P
ATOM 81 OP1 DA A 5 21.116 12.891 16.892 1.00 58.59 O
ATOM 82 OP2 DA A 5 20.837 14.423 14.910 1.00 51.96 O
ATOM 83 O5' DA A 5 18.810 13.581 16.161 1.00 47.12 O
ATOM 84 C5' DA A 5 18.015 13.569 17.362 1.00 47.67 C
ATOM 85 C4' DA A 5 16.672 14.088 16.957 1.00 64.79 C
ATOM 86 O4' DA A 5 16.842 15.447 16.561 1.00 47.60 O
ATOM 87 C3' DA A 5 16.019 13.393 15.764 1.00 51.50 C
ATOM 88 O3' DA A 5 14.762 12.796 16.120 1.00 52.18 O
ATOM 89 C2' DA A 5 15.952 14.498 14.696 1.00 45.00 C
ATOM 90 C1' DA A 5 15.851 15.732 15.569 1.00 26.88 C
ATOM 91 N9 DA A 5 16.391 16.916 14.867 1.00 16.69 N
ATOM 92 C8 DA A 5 17.658 17.103 14.382 1.00 28.14 C
ATOM 93 N7 DA A 5 17.863 18.346 13.913 1.00 34.85 N
ATOM 94 C5 DA A 5 16.673 18.953 14.098 1.00 22.49 C
ATOM 95 C6 DA A 5 16.230 20.279 13.819 1.00 18.12 C
ATOM 96 N6 DA A 5 17.045 21.222 13.268 1.00 29.30 N
ATOM 97 N1 DA A 5 14.966 20.578 14.118 1.00 27.61 N
ATOM 98 C2 DA A 5 14.178 19.652 14.669 1.00 18.53 C
ATOM 99 N3 DA A 5 14.463 18.392 14.984 1.00 29.16 N
ATOM 100 C4 DA A 5 15.750 18.110 14.661 1.00 15.08 C
ATOM 101 P DA A 6 13.866 12.006 15.063 1.00 43.68 P
ATOM 102 OP1 DA A 6 13.028 11.039 15.800 1.00 42.55 O
ATOM 103 OP2 DA A 6 14.715 11.499 13.968 1.00 54.20 O
ATOM 104 O5' DA A 6 12.879 13.111 14.480 1.00 28.20 O
ATOM 105 C5' DA A 6 11.802 13.597 15.290 1.00 42.29 C
ATOM 106 C4' DA A 6 11.111 14.603 14.435 1.00 33.23 C
ATOM 107 O4' DA A 6 12.152 15.460 13.962 1.00 41.48 O
ATOM 108 C3' DA A 6 10.417 14.070 13.187 1.00 18.16 C
ATOM 109 O3' DA A 6 9.007 14.369 13.181 1.00 30.42 O
ATOM 110 C2' DA A 6 11.240 14.692 12.061 1.00 52.97 C
ATOM 111 C1' DA A 6 11.699 15.974 12.719 1.00 38.93 C
ATOM 112 N9 DA A 6 12.918 16.526 12.078 1.00 19.06 N
ATOM 113 C8 DA A 6 14.115 15.899 11.868 1.00 17.83 C
ATOM 114 N7 DA A 6 15.049 16.714 11.356 1.00 29.55 N
ATOM 115 C5 DA A 6 14.416 17.901 11.246 1.00 19.88 C
ATOM 116 C6 DA A 6 14.873 19.187 10.815 1.00 17.26 C
ATOM 117 N6 DA A 6 16.161 19.418 10.427 1.00 19.85 N
ATOM 118 N1 DA A 6 13.999 20.191 10.852 1.00 17.93 N
ATOM 119 C2 DA A 6 12.753 19.962 11.272 1.00 23.00 C
ATOM 120 N3 DA A 6 12.210 18.824 11.698 1.00 21.37 N
ATOM 121 C4 DA A 6 13.116 17.823 11.657 1.00 15.93 C
ATOM 122 P DT A 7 8.081 14.050 11.915 1.00 40.72 P
ATOM 123 OP1 DT A 7 6.668 13.960 12.342 1.00 46.75 O
ATOM 124 OP2 DT A 7 8.600 12.894 11.137 1.00 42.53 O
ATOM 125 O5' DT A 7 8.239 15.387 11.076 1.00 35.21 O
ATOM 126 C5' DT A 7 7.907 16.635 11.686 1.00 34.88 C
ATOM 127 C4' DT A 7 8.162 17.628 10.598 1.00 31.45 C
ATOM 128 O4' DT A 7 9.543 17.580 10.279 1.00 46.82 O
ATOM 129 C3' DT A 7 7.461 17.284 9.296 1.00 23.76 C
ATOM 130 O3' DT A 7 6.251 18.034 9.162 1.00 44.27 O
ATOM 131 C2' DT A 7 8.532 17.527 8.223 1.00 26.30 C
ATOM 132 C1' DT A 7 9.644 18.209 9.019 1.00 28.96 C
ATOM 133 N1 DT A 7 11.021 17.903 8.565 1.00 20.47 N
ATOM 134 C2 DT A 7 11.822 18.923 8.176 1.00 28.01 C
ATOM 135 O2 DT A 7 11.383 20.077 8.143 1.00 40.01 O
ATOM 136 N3 DT A 7 13.119 18.641 7.852 1.00 27.94 N
ATOM 137 C4 DT A 7 13.633 17.372 7.882 1.00 15.14 C
ATOM 138 O4 DT A 7 14.830 17.222 7.619 1.00 32.54 O
ATOM 139 C5 DT A 7 12.781 16.325 8.235 1.00 10.83 C
ATOM 140 C7 DT A 7 13.269 14.902 8.236 1.00 36.33 C
ATOM 141 C6 DT A 7 11.465 16.616 8.594 1.00 12.19 C
ATOM 142 P DT A 8 5.384 17.990 7.824 1.00 49.10 P
ATOM 143 OP1 DT A 8 4.025 18.444 8.180 1.00 41.11 O
ATOM 144 OP2 DT A 8 5.458 16.668 7.160 1.00 39.21 O
ATOM 145 O5' DT A 8 6.086 19.118 6.927 1.00 48.80 O
ATOM 146 C5' DT A 8 6.146 20.478 7.418 1.00 34.73 C
ATOM 147 C4' DT A 8 6.995 21.229 6.438 1.00 28.73 C
ATOM 148 O4' DT A 8 8.188 20.458 6.284 1.00 39.07 O
ATOM 149 C3' DT A 8 6.418 21.332 5.029 1.00 37.88 C
ATOM 150 O3' DT A 8 5.967 22.667 4.696 1.00 52.04 O
ATOM 151 C2' DT A 8 7.513 20.718 4.139 1.00 32.80 C
ATOM 152 C1' DT A 8 8.736 20.855 5.034 1.00 36.58 C
ATOM 153 N1 DT A 8 9.823 19.876 4.759 1.00 24.57 N
ATOM 154 C2 DT A 8 11.086 20.316 4.494 1.00 19.41 C
ATOM 155 O2 DT A 8 11.324 21.516 4.389 1.00 32.74 O
ATOM 156 N3 DT A 8 12.094 19.403 4.412 1.00 25.12 N
ATOM 157 C4 DT A 8 11.876 18.060 4.551 1.00 31.35 C
ATOM 158 O4 DT A 8 12.858 17.317 4.503 1.00 28.53 O
ATOM 159 C5 DT A 8 10.569 17.611 4.765 1.00 22.80 C
ATOM 160 C7 DT A 8 10.261 16.140 4.896 1.00 24.98 C
ATOM 161 C6 DT A 8 9.545 18.548 4.904 1.00 20.28 C
ATOM 162 P DC A 9 5.531 23.071 3.209 1.00 48.97 P
ATOM 163 OP1 DC A 9 4.648 24.244 3.269 1.00 62.33 O
ATOM 164 OP2 DC A 9 5.010 21.905 2.470 1.00 51.53 O
ATOM 165 O5' DC A 9 6.926 23.547 2.611 1.00 43.99 O
ATOM 166 C5' DC A 9 7.636 24.627 3.249 1.00 50.86 C
ATOM 167 C4' DC A 9 8.897 24.853 2.457 1.00 46.66 C
ATOM 168 O4' DC A 9 9.638 23.627 2.448 1.00 42.69 O
ATOM 169 C3' DC A 9 8.717 25.240 0.998 1.00 56.96 C
ATOM 170 O3' DC A 9 9.470 26.414 0.667 1.00 63.54 O
ATOM 171 C2' DC A 9 9.126 23.965 0.253 1.00 50.41 C
ATOM 172 C1' DC A 9 10.241 23.483 1.157 1.00 41.08 C
ATOM 173 N1 DC A 9 10.524 22.022 1.015 1.00 37.23 N
ATOM 174 C2 DC A 9 11.814 21.603 0.840 1.00 40.54 C
ATOM 175 O2 DC A 9 12.691 22.447 0.670 1.00 43.89 O
ATOM 176 N3 DC A 9 12.106 20.297 0.873 1.00 32.57 N
ATOM 177 C4 DC A 9 11.141 19.395 1.046 1.00 24.65 C
ATOM 178 N4 DC A 9 11.461 18.075 1.089 1.00 27.84 N
ATOM 179 C5 DC A 9 9.803 19.775 1.177 1.00 17.61 C
ATOM 180 C6 DC A 9 9.499 21.133 1.167 1.00 30.63 C
ATOM 181 P DG A 10 9.055 27.333 -0.581 1.00 65.48 P
ATOM 182 OP1 DG A 10 9.496 28.717 -0.258 1.00 59.09 O
ATOM 183 OP2 DG A 10 7.632 27.106 -0.947 1.00 45.71 O
ATOM 184 O5' DG A 10 9.954 26.765 -1.771 1.00 70.30 O
ATOM 185 C5' DG A 10 11.382 26.940 -1.720 1.00 71.73 C
ATOM 186 C4' DG A 10 11.972 26.090 -2.802 1.00 58.69 C
ATOM 187 O4' DG A 10 11.802 24.724 -2.404 1.00 41.03 O
ATOM 188 C3' DG A 10 11.327 26.178 -4.188 1.00 45.61 C
ATOM 189 O3' DG A 10 12.311 26.096 -5.214 1.00 52.70 O
ATOM 190 C2' DG A 10 10.414 24.962 -4.186 1.00 36.02 C
ATOM 191 C1' DG A 10 11.429 24.028 -3.587 1.00 50.90 C
ATOM 192 N9 DG A 10 10.890 22.713 -3.200 1.00 45.86 N
ATOM 193 C8 DG A 10 9.616 22.315 -2.910 1.00 44.49 C
ATOM 194 N7 DG A 10 9.541 21.009 -2.613 1.00 39.96 N
ATOM 195 C5 DG A 10 10.818 20.588 -2.718 1.00 38.99 C
ATOM 196 C6 DG A 10 11.376 19.292 -2.511 1.00 35.78 C
ATOM 197 O6 DG A 10 10.813 18.252 -2.179 1.00 34.90 O
ATOM 198 N1 DG A 10 12.729 19.299 -2.720 1.00 23.54 N
ATOM 199 C2 DG A 10 13.498 20.365 -3.082 1.00 8.73 C
ATOM 200 N2 DG A 10 14.834 20.169 -3.237 1.00 23.15 N
ATOM 201 N3 DG A 10 12.982 21.573 -3.267 1.00 24.68 N
ATOM 202 C4 DG A 10 11.656 21.601 -3.061 1.00 31.53 C
ATOM 203 P DC A 11 12.763 27.421 -5.980 1.00 60.62 P
ATOM 204 OP1 DC A 11 12.796 28.572 -5.049 1.00 63.74 O
ATOM 205 OP2 DC A 11 11.886 27.542 -7.164 1.00 52.44 O
ATOM 206 O5' DC A 11 14.272 27.086 -6.366 1.00 57.57 O
ATOM 207 C5' DC A 11 15.275 27.108 -5.318 1.00 54.70 C
ATOM 208 C4' DC A 11 16.222 25.946 -5.510 1.00 72.51 C
ATOM 209 O4' DC A 11 15.443 24.754 -5.397 1.00 47.18 O
ATOM 210 C3' DC A 11 16.942 25.827 -6.848 1.00 29.82 C
ATOM 211 O3' DC A 11 18.340 25.511 -6.701 1.00 43.53 O
ATOM 212 C2' DC A 11 16.118 24.767 -7.578 1.00 51.34 C
ATOM 213 C1' DC A 11 15.856 23.836 -6.414 1.00 30.07 C
ATOM 214 N1 DC A 11 14.672 22.975 -6.637 1.00 23.25 N
ATOM 215 C2 DC A 11 14.802 21.628 -6.529 1.00 20.38 C
ATOM 216 O2 DC A 11 15.924 21.178 -6.314 1.00 38.77 O
ATOM 217 N3 DC A 11 13.723 20.842 -6.627 1.00 15.92 N
ATOM 218 C4 DC A 11 12.515 21.373 -6.836 1.00 15.82 C
ATOM 219 N4 DC A 11 11.410 20.574 -6.872 1.00 28.04 N
ATOM 220 C5 DC A 11 12.348 22.744 -6.978 1.00 26.17 C
ATOM 221 C6 DC A 11 13.470 23.558 -6.869 1.00 35.50 C
ATOM 222 P DG A 12 19.331 25.774 -7.925 1.00 55.98 P
ATOM 223 OP1 DG A 12 20.704 25.976 -7.408 1.00 45.83 O
ATOM 224 OP2 DG A 12 18.763 26.851 -8.758 1.00 44.26 O
ATOM 225 O5' DG A 12 19.302 24.412 -8.763 1.00 62.63 O
ATOM 226 C5' DG A 12 20.109 23.284 -8.359 1.00 69.50 C
ATOM 227 C4' DG A 12 19.748 22.167 -9.299 1.00 39.92 C
ATOM 228 O4' DG A 12 18.350 21.969 -9.139 1.00 32.00 O
ATOM 229 C3' DG A 12 19.921 22.404 -10.815 1.00 50.39 C
ATOM 230 O3' DG A 12 20.985 21.635 -11.401 1.00 64.13 O
ATOM 231 C2' DG A 12 18.535 22.062 -11.381 1.00 36.18 C
ATOM 232 C1' DG A 12 17.965 21.200 -10.269 1.00 24.79 C
ATOM 233 N9 DG A 12 16.493 21.220 -10.265 1.00 28.44 N
ATOM 234 C8 DG A 12 15.663 22.289 -10.478 1.00 31.85 C
ATOM 235 N7 DG A 12 14.368 21.958 -10.390 1.00 38.26 N
ATOM 236 C5 DG A 12 14.388 20.640 -10.102 1.00 28.99 C
ATOM 237 C6 DG A 12 13.301 19.742 -9.856 1.00 42.63 C
ATOM 238 O6 DG A 12 12.091 19.967 -9.857 1.00 49.17 O
ATOM 239 N1 DG A 12 13.750 18.466 -9.625 1.00 40.15 N
ATOM 240 C2 DG A 12 15.042 18.043 -9.605 1.00 33.42 C
ATOM 241 N2 DG A 12 15.259 16.717 -9.406 1.00 40.53 N
ATOM 242 N3 DG A 12 16.061 18.885 -9.792 1.00 37.34 N
ATOM 243 C4 DG A 12 15.660 20.156 -10.027 1.00 31.14 C
TER 244 DG A 12
ATOM 245 O5' DC B 13 7.458 11.884 -9.070 1.00 66.23 O
ATOM 246 C5' DC B 13 8.252 10.968 -9.854 1.00 71.49 C
ATOM 247 C4' DC B 13 9.714 11.141 -9.512 1.00 56.82 C
ATOM 248 O4' DC B 13 10.144 12.455 -9.908 1.00 57.92 O
ATOM 249 C3' DC B 13 10.103 10.989 -8.055 1.00 34.34 C
ATOM 250 O3' DC B 13 11.293 10.221 -7.904 1.00 42.11 O
ATOM 251 C2' DC B 13 10.254 12.437 -7.607 1.00 29.08 C
ATOM 252 C1' DC B 13 10.896 13.044 -8.837 1.00 38.40 C
ATOM 253 N1 DC B 13 10.575 14.487 -8.944 1.00 34.33 N
ATOM 254 C2 DC B 13 11.559 15.430 -9.006 1.00 22.98 C
ATOM 255 O2 DC B 13 12.725 15.066 -8.932 1.00 50.83 O
ATOM 256 N3 DC B 13 11.246 16.714 -9.193 1.00 37.14 N
ATOM 257 C4 DC B 13 9.980 17.088 -9.334 1.00 42.60 C
ATOM 258 N4 DC B 13 9.698 18.395 -9.589 1.00 54.91 N
ATOM 259 C5 DC B 13 8.939 16.162 -9.274 1.00 56.67 C
ATOM 260 C6 DC B 13 9.265 14.824 -9.080 1.00 49.21 C
ATOM 261 P DG B 14 11.602 9.510 -6.502 1.00 60.42 P
ATOM 262 OP1 DG B 14 11.666 8.032 -6.664 1.00 57.44 O
ATOM 263 OP2 DG B 14 10.644 10.010 -5.494 1.00 46.07 O
ATOM 264 O5' DG B 14 13.051 10.094 -6.177 1.00 50.94 O
ATOM 265 C5' DG B 14 14.100 10.021 -7.156 1.00 34.84 C
ATOM 266 C4' DG B 14 15.113 10.992 -6.657 1.00 48.06 C
ATOM 267 O4' DG B 14 14.556 12.300 -6.755 1.00 37.01 O
ATOM 268 C3' DG B 14 15.445 10.806 -5.189 1.00 50.58 C
ATOM 269 O3' DG B 14 16.836 10.560 -5.013 1.00 51.98 O
ATOM 270 C2' DG B 14 14.937 12.100 -4.529 1.00 40.32 C
ATOM 271 C1' DG B 14 15.058 13.086 -5.671 1.00 46.69 C
ATOM 272 N9 DG B 14 14.036 14.140 -5.536 1.00 29.17 N
ATOM 273 C8 DG B 14 12.710 13.957 -5.259 1.00 23.48 C
ATOM 274 N7 DG B 14 12.016 15.103 -5.269 1.00 37.54 N
ATOM 275 C5 DG B 14 12.937 16.041 -5.558 1.00 26.27 C
ATOM 276 C6 DG B 14 12.761 17.451 -5.710 1.00 40.82 C
ATOM 277 O6 DG B 14 11.723 18.111 -5.630 1.00 44.39 O
ATOM 278 N1 DG B 14 13.952 18.079 -5.973 1.00 19.52 N
ATOM 279 C2 DG B 14 15.171 17.485 -6.107 1.00 18.48 C
ATOM 280 N2 DG B 14 16.244 18.292 -6.325 1.00 36.58 N
ATOM 281 N3 DG B 14 15.329 16.161 -5.986 1.00 46.96 N
ATOM 282 C4 DG B 14 14.179 15.499 -5.721 1.00 35.70 C
ATOM 283 P DC B 15 17.478 10.380 -3.569 1.00 46.26 P
ATOM 284 OP1 DC B 15 18.665 9.516 -3.729 1.00 46.07 O
ATOM 285 OP2 DC B 15 16.427 9.940 -2.633 1.00 40.43 O
ATOM 286 O5' DC B 15 17.957 11.865 -3.208 1.00 40.97 O
ATOM 287 C5' DC B 15 18.963 12.531 -3.996 1.00 28.78 C
ATOM 288 C4' DC B 15 18.936 13.958 -3.536 1.00 32.84 C
ATOM 289 O4' DC B 15 17.592 14.409 -3.622 1.00 37.24 O
ATOM 290 C3' DC B 15 19.253 14.139 -2.066 1.00 43.98 C
ATOM 291 O3' DC B 15 20.659 14.219 -1.858 1.00 40.90 O
ATOM 292 C2' DC B 15 18.520 15.417 -1.728 1.00 36.26 C
ATOM 293 C1' DC B 15 17.545 15.602 -2.872 1.00 20.54 C
ATOM 294 N1 DC B 15 16.145 15.696 -2.428 1.00 23.10 N
ATOM 295 C2 DC B 15 15.507 16.886 -2.558 1.00 32.12 C
ATOM 296 O2 DC B 15 16.162 17.846 -2.957 1.00 30.04 O
ATOM 297 N3 DC B 15 14.209 16.983 -2.264 1.00 32.94 N
ATOM 298 C4 DC B 15 13.536 15.919 -1.825 1.00 16.43 C
ATOM 299 N4 DC B 15 12.205 16.017 -1.553 1.00 34.91 N
ATOM 300 C5 DC B 15 14.164 14.689 -1.652 1.00 22.75 C
ATOM 301 C6 DC B 15 15.509 14.584 -1.979 1.00 26.42 C
ATOM 302 P DG B 16 21.304 14.529 -0.436 1.00 42.39 P
ATOM 303 OP1 DG B 16 22.696 14.087 -0.524 1.00 60.41 O
ATOM 304 OP2 DG B 16 20.488 13.954 0.650 1.00 51.09 O
ATOM 305 O5' DG B 16 21.306 16.117 -0.363 1.00 45.08 O
ATOM 306 C5' DG B 16 22.177 16.876 -1.212 1.00 33.20 C
ATOM 307 C4' DG B 16 21.739 18.292 -1.021 1.00 24.95 C
ATOM 308 O4' DG B 16 20.305 18.225 -1.048 1.00 32.83 O
ATOM 309 C3' DG B 16 22.101 18.959 0.293 1.00 41.12 C
ATOM 310 O3' DG B 16 22.592 20.293 0.097 1.00 53.45 O
ATOM 311 C2' DG B 16 20.820 18.829 1.121 1.00 28.93 C
ATOM 312 C1' DG B 16 19.765 18.985 0.046 1.00 37.44 C
ATOM 313 N9 DG B 16 18.513 18.299 0.468 1.00 17.75 N
ATOM 314 C8 DG B 16 18.363 17.062 1.039 1.00 17.96 C
ATOM 315 N7 DG B 16 17.080 16.744 1.281 1.00 24.14 N
ATOM 316 C5 DG B 16 16.400 17.832 0.868 1.00 9.96 C
ATOM 317 C6 DG B 16 14.996 18.090 0.882 1.00 18.10 C
ATOM 318 O6 DG B 16 14.082 17.378 1.280 1.00 31.13 O
ATOM 319 N1 DG B 16 14.712 19.349 0.418 1.00 17.72 N
ATOM 320 C2 DG B 16 15.606 20.268 -0.027 1.00 16.23 C
ATOM 321 N2 DG B 16 15.134 21.493 -0.382 1.00 33.42 N
ATOM 322 N3 DG B 16 16.912 20.017 -0.072 1.00 26.37 N
ATOM 323 C4 DG B 16 17.236 18.794 0.384 1.00 31.72 C
ATOM 324 P DA B 17 22.904 21.238 1.339 1.00 46.87 P
ATOM 325 OP1 DA B 17 23.994 22.183 1.025 1.00 47.75 O
ATOM 326 OP2 DA B 17 23.104 20.390 2.538 1.00 46.81 O
ATOM 327 O5' DA B 17 21.577 22.107 1.390 1.00 39.51 O
ATOM 328 C5' DA B 17 21.216 22.833 0.200 1.00 30.37 C
ATOM 329 C4' DA B 17 20.101 23.788 0.484 1.00 35.43 C
ATOM 330 O4' DA B 17 18.913 23.054 0.816 1.00 43.05 O
ATOM 331 C3' DA B 17 20.347 24.743 1.633 1.00 44.50 C
ATOM 332 O3' DA B 17 19.732 26.010 1.411 1.00 78.59 O
ATOM 333 C2' DA B 17 19.752 23.945 2.791 1.00 44.42 C
ATOM 334 C1' DA B 17 18.497 23.393 2.145 1.00 42.55 C
ATOM 335 N9 DA B 17 18.079 22.095 2.758 1.00 34.56 N
ATOM 336 C8 DA B 17 18.847 21.020 3.133 1.00 20.07 C
ATOM 337 N7 DA B 17 18.114 19.984 3.584 1.00 27.60 N
ATOM 338 C5 DA B 17 16.842 20.424 3.488 1.00 18.80 C
ATOM 339 C6 DA B 17 15.577 19.817 3.786 1.00 32.58 C
ATOM 340 N6 DA B 17 15.448 18.537 4.242 1.00 29.54 N
ATOM 341 N1 DA B 17 14.482 20.557 3.593 1.00 35.01 N
ATOM 342 C2 DA B 17 14.597 21.801 3.118 1.00 36.47 C
ATOM 343 N3 DA B 17 15.700 22.472 2.783 1.00 38.96 N
ATOM 344 C4 DA B 17 16.791 21.706 3.002 1.00 28.24 C
ATOM 345 P DA B 18 19.803 27.141 2.526 1.00 46.11 P
ATOM 346 OP1 DA B 18 19.796 28.478 1.888 1.00 49.20 O
ATOM 347 OP2 DA B 18 20.953 26.858 3.426 1.00 43.48 O
ATOM 348 O5' DA B 18 18.396 26.939 3.241 1.00 40.83 O
ATOM 349 C5' DA B 18 17.203 27.028 2.452 1.00 40.72 C
ATOM 350 C4' DA B 18 16.035 26.958 3.388 1.00 66.52 C
ATOM 351 O4' DA B 18 15.856 25.612 3.850 1.00 44.25 O
ATOM 352 C3' DA B 18 16.101 27.861 4.615 1.00 63.34 C
ATOM 353 O3' DA B 18 14.890 28.608 4.757 1.00 55.65 O
ATOM 354 C2' DA B 18 16.368 26.844 5.724 1.00 34.49 C
ATOM 355 C1' DA B 18 15.561 25.655 5.243 1.00 29.45 C
ATOM 356 N9 DA B 18 16.104 24.373 5.755 1.00 20.03 N
ATOM 357 C8 DA B 18 17.411 23.967 5.830 1.00 16.51 C
ATOM 358 N7 DA B 18 17.539 22.706 6.276 1.00 20.58 N
ATOM 359 C5 DA B 18 16.266 22.309 6.480 1.00 21.66 C
ATOM 360 C6 DA B 18 15.715 21.073 6.933 1.00 17.93 C
ATOM 361 N6 DA B 18 16.483 19.994 7.243 1.00 20.37 N
ATOM 362 N1 DA B 18 14.389 20.994 7.036 1.00 20.81 N
ATOM 363 C2 DA B 18 13.636 22.041 6.708 1.00 26.77 C
ATOM 364 N3 DA B 18 14.019 23.234 6.265 1.00 26.83 N
ATOM 365 C4 DA B 18 15.367 23.291 6.174 1.00 27.48 C
ATOM 366 P DT B 19 14.604 29.545 6.020 1.00 48.40 P
ATOM 367 OP1 DT B 19 13.792 30.696 5.582 1.00 50.18 O
ATOM 368 OP2 DT B 19 15.852 29.836 6.749 1.00 44.42 O
ATOM 369 O5' DT B 19 13.633 28.628 6.885 1.00 53.86 O
ATOM 370 C5' DT B 19 12.398 28.171 6.303 1.00 55.04 C
ATOM 371 C4' DT B 19 11.809 27.217 7.302 1.00 44.86 C
ATOM 372 O4' DT B 19 12.767 26.184 7.534 1.00 48.52 O
ATOM 373 C3' DT B 19 11.515 27.822 8.669 1.00 41.77 C
ATOM 374 O3' DT B 19 10.103 27.952 8.891 1.00 57.02 O
ATOM 375 C2' DT B 19 12.267 26.906 9.630 1.00 39.28 C
ATOM 376 C1' DT B 19 12.426 25.645 8.799 1.00 27.68 C
ATOM 377 N1 DT B 19 13.609 24.850 9.205 1.00 21.67 N
ATOM 378 C2 DT B 19 13.442 23.575 9.656 1.00 31.71 C
ATOM 379 O2 DT B 19 12.311 23.101 9.802 1.00 36.00 O
ATOM 380 N3 DT B 19 14.551 22.825 9.913 1.00 24.66 N
ATOM 381 C4 DT B 19 15.815 23.321 9.777 1.00 40.64 C
ATOM 382 O4 DT B 19 16.755 22.570 10.029 1.00 31.47 O
ATOM 383 C5 DT B 19 15.972 24.647 9.362 1.00 31.79 C
ATOM 384 C7 DT B 19 17.345 25.239 9.234 1.00 30.05 C
ATOM 385 C6 DT B 19 14.844 25.405 9.048 1.00 14.35 C
ATOM 386 P DT B 20 9.513 28.533 10.260 1.00 48.24 P
ATOM 387 OP1 DT B 20 8.145 29.007 9.998 1.00 41.28 O
ATOM 388 OP2 DT B 20 10.455 29.513 10.841 1.00 53.39 O
ATOM 389 O5' DT B 20 9.395 27.223 11.153 1.00 36.57 O
ATOM 390 C5' DT B 20 8.576 26.148 10.664 1.00 50.41 C
ATOM 391 C4' DT B 20 8.655 25.060 11.678 1.00 32.08 C
ATOM 392 O4' DT B 20 10.003 24.615 11.764 1.00 48.38 O
ATOM 393 C3' DT B 20 8.272 25.471 13.087 1.00 29.99 C
ATOM 394 O3' DT B 20 7.199 24.657 13.553 1.00 45.14 O
ATOM 395 C2' DT B 20 9.586 25.307 13.860 1.00 32.42 C
ATOM 396 C1' DT B 20 10.190 24.148 13.089 1.00 39.56 C
ATOM 397 N1 DT B 20 11.660 24.070 13.205 1.00 20.36 N
ATOM 398 C2 DT B 20 12.257 22.880 13.486 1.00 27.55 C
ATOM 399 O2 DT B 20 11.583 21.866 13.691 1.00 38.33 O
ATOM 400 N3 DT B 20 13.620 22.829 13.497 1.00 29.60 N
ATOM 401 C4 DT B 20 14.402 23.914 13.225 1.00 30.11 C
ATOM 402 O4 DT B 20 15.625 23.764 13.252 1.00 32.92 O
ATOM 403 C5 DT B 20 13.774 25.126 12.933 1.00 24.11 C
ATOM 404 C7 DT B 20 14.563 26.358 12.612 1.00 23.96 C
ATOM 405 C6 DT B 20 12.385 25.187 12.926 1.00 19.78 C
ATOM 406 P DC B 21 6.594 24.823 15.016 1.00 54.73 P
ATOM 407 OP1 DC B 21 5.169 24.424 14.987 1.00 53.98 O
ATOM 408 OP2 DC B 21 6.870 26.189 15.511 1.00 65.53 O
ATOM 409 O5' DC B 21 7.409 23.731 15.839 1.00 50.67 O
ATOM 410 C5' DC B 21 7.331 22.352 15.433 1.00 60.86 C
ATOM 411 C4' DC B 21 8.100 21.598 16.461 1.00 40.86 C
ATOM 412 O4' DC B 21 9.478 21.902 16.263 1.00 36.88 O
ATOM 413 C3' DC B 21 7.766 22.045 17.879 1.00 53.80 C
ATOM 414 O3' DC B 21 7.036 21.041 18.611 1.00 79.04 O
ATOM 415 C2' DC B 21 9.123 22.414 18.469 1.00 48.43 C
ATOM 416 C1' DC B 21 10.107 21.743 17.523 1.00 36.51 C
ATOM 417 N1 DC B 21 11.328 22.556 17.331 1.00 24.72 N
ATOM 418 C2 DC B 21 12.534 21.939 17.329 1.00 30.96 C
ATOM 419 O2 DC B 21 12.560 20.731 17.579 1.00 34.53 O
ATOM 420 N3 DC B 21 13.639 22.639 17.035 1.00 31.69 N
ATOM 421 C4 DC B 21 13.560 23.938 16.739 1.00 21.53 C
ATOM 422 N4 DC B 21 14.685 24.628 16.404 1.00 23.72 N
ATOM 423 C5 DC B 21 12.338 24.609 16.736 1.00 30.74 C
ATOM 424 C6 DC B 21 11.193 23.878 17.035 1.00 27.58 C
ATOM 425 P DG B 22 6.509 21.324 20.099 1.00 56.50 P
ATOM 426 OP1 DG B 22 5.387 20.397 20.396 1.00 50.81 O
ATOM 427 OP2 DG B 22 6.235 22.774 20.306 1.00 53.84 O
ATOM 428 O5' DG B 22 7.767 20.924 20.993 1.00 66.30 O
ATOM 429 C5' DG B 22 8.216 19.559 21.073 1.00 73.42 C
ATOM 430 C4' DG B 22 9.422 19.557 21.977 1.00 42.96 C
ATOM 431 O4' DG B 22 10.493 20.260 21.319 1.00 52.87 O
ATOM 432 C3' DG B 22 9.267 20.267 23.325 1.00 38.51 C
ATOM 433 O3' DG B 22 10.088 19.657 24.293 1.00 60.28 O
ATOM 434 C2' DG B 22 9.751 21.670 22.990 1.00 22.00 C
ATOM 435 C1' DG B 22 10.988 21.226 22.256 1.00 24.85 C
ATOM 436 N9 DG B 22 11.599 22.357 21.543 1.00 25.91 N
ATOM 437 C8 DG B 22 11.037 23.545 21.159 1.00 23.91 C
ATOM 438 N7 DG B 22 11.921 24.362 20.566 1.00 39.18 N
ATOM 439 C5 DG B 22 13.072 23.653 20.580 1.00 25.66 C
ATOM 440 C6 DG B 22 14.370 24.003 20.102 1.00 28.34 C
ATOM 441 O6 DG B 22 14.747 25.057 19.585 1.00 31.85 O
ATOM 442 N1 DG B 22 15.268 22.983 20.308 1.00 25.22 N
ATOM 443 C2 DG B 22 15.023 21.776 20.891 1.00 11.07 C
ATOM 444 N2 DG B 22 16.066 20.914 21.038 1.00 25.92 N
ATOM 445 N3 DG B 22 13.815 21.452 21.350 1.00 19.05 N
ATOM 446 C4 DG B 22 12.902 22.429 21.151 1.00 23.69 C
ATOM 447 P DC B 23 9.477 18.627 25.340 1.00 55.93 P
ATOM 448 OP1 DC B 23 8.767 17.534 24.627 1.00 45.14 O
ATOM 449 OP2 DC B 23 8.670 19.409 26.312 1.00 41.61 O
ATOM 450 O5' DC B 23 10.807 18.067 26.034 1.00 59.70 O
ATOM 451 C5' DC B 23 11.688 17.170 25.310 1.00 63.13 C
ATOM 452 C4' DC B 23 13.115 17.573 25.593 1.00 27.86 C
ATOM 453 O4' DC B 23 13.284 18.804 24.893 1.00 50.51 O
ATOM 454 C3' DC B 23 13.441 17.879 27.059 1.00 46.45 C
ATOM 455 O3' DC B 23 14.341 16.938 27.677 1.00 57.21 O
ATOM 456 C2' DC B 23 13.928 19.322 27.025 1.00 68.01 C
ATOM 457 C1' DC B 23 14.312 19.508 25.568 1.00 32.05 C
ATOM 458 N1 DC B 23 14.144 20.932 25.170 1.00 23.28 N
ATOM 459 C2 DC B 23 15.199 21.595 24.630 1.00 20.62 C
ATOM 460 O2 DC B 23 16.257 20.984 24.504 1.00 29.62 O
ATOM 461 N3 DC B 23 15.067 22.877 24.257 1.00 39.00 N
ATOM 462 C4 DC B 23 13.898 23.510 24.404 1.00 30.44 C
ATOM 463 N4 DC B 23 13.771 24.813 24.018 1.00 34.66 N
ATOM 464 C5 DC B 23 12.795 22.866 24.967 1.00 27.74 C
ATOM 465 C6 DC B 23 12.935 21.540 25.359 1.00 24.58 C
ATOM 466 P DG B 24 14.658 17.064 29.247 1.00 53.70 P
ATOM 467 OP1 DG B 24 14.863 15.717 29.825 1.00 61.79 O
ATOM 468 OP2 DG B 24 13.633 17.912 29.920 1.00 36.06 O
ATOM 469 O5' DG B 24 16.033 17.880 29.284 1.00 34.06 O
ATOM 470 C5' DG B 24 17.243 17.320 28.742 1.00 46.57 C
ATOM 471 C4' DG B 24 18.208 18.464 28.758 1.00 50.89 C
ATOM 472 O4' DG B 24 17.716 19.428 27.829 1.00 32.02 O
ATOM 473 C3' DG B 24 18.230 19.236 30.058 1.00 30.38 C
ATOM 474 O3' DG B 24 18.978 18.583 31.084 1.00 61.06 O
ATOM 475 C2' DG B 24 18.885 20.519 29.578 1.00 53.33 C
ATOM 476 C1' DG B 24 18.276 20.693 28.188 1.00 35.03 C
ATOM 477 N9 DG B 24 17.164 21.659 28.139 1.00 30.25 N
ATOM 478 C8 DG B 24 15.874 21.536 28.580 1.00 30.86 C
ATOM 479 N7 DG B 24 15.129 22.614 28.308 1.00 44.08 N
ATOM 480 C5 DG B 24 15.990 23.436 27.673 1.00 16.87 C
ATOM 481 C6 DG B 24 15.765 24.729 27.117 1.00 19.36 C
ATOM 482 O6 DG B 24 14.719 25.373 27.067 1.00 33.30 O
ATOM 483 N1 DG B 24 16.926 25.257 26.604 1.00 15.78 N
ATOM 484 C2 DG B 24 18.157 24.666 26.579 1.00 11.92 C
ATOM 485 N2 DG B 24 19.208 25.386 26.096 1.00 29.76 N
ATOM 486 N3 DG B 24 18.350 23.438 27.053 1.00 21.95 N
ATOM 487 C4 DG B 24 17.231 22.893 27.570 1.00 13.89 C
TER 488 DG B 24
HETATM 489 O HOH A 25 19.736 30.706 18.656 1.00 51.86 O
HETATM 490 O HOH A 31 10.879 26.039 -8.906 1.00 47.07 O
HETATM 491 O HOH A 32 18.320 24.816 14.948 1.00 47.72 O
HETATM 492 O HOH A 36 9.821 13.442 8.572 1.00 45.76 O
HETATM 493 O HOH A 38 8.915 15.602 -3.388 1.00 50.97 O
HETATM 494 O HOH A 39 17.505 26.340 -10.581 1.00 51.90 O
HETATM 495 O HOH A 40 28.496 23.515 18.349 1.00 45.37 O
HETATM 496 O HOH A 41 11.346 24.175 4.920 1.00 45.03 O
HETATM 497 O HOH A 50 9.098 16.119 1.277 1.00 51.80 O
HETATM 498 O HOH A 54 16.488 29.195 19.861 1.00 54.92 O
HETATM 499 O HOH A 55 22.078 25.894 15.396 1.00 62.20 O
HETATM 500 O HOH A 58 7.133 14.448 4.647 1.00 57.15 O
HETATM 501 O HOH A 62 14.095 28.151 21.614 1.00 53.85 O
HETATM 502 O HOH A 64 27.164 31.710 20.331 1.00 56.84 O
HETATM 503 O HOH A 65 15.295 11.873 12.209 1.00 57.34 O
HETATM 504 O HOH A 66 18.180 16.604 9.966 1.00 61.52 O
HETATM 505 O HOH A 67 6.216 17.035 1.672 1.00 62.91 O
HETATM 506 O HOH A 70 7.055 25.519 -2.053 1.00 55.96 O
HETATM 507 O HOH A 74 12.454 11.354 9.415 1.00 68.40 O
HETATM 508 O HOH A 76 11.492 29.103 20.090 1.00 67.46 O
HETATM 509 O HOH A 77 14.220 29.189 20.392 1.00 48.22 O
HETATM 510 O HOH A 78 6.138 19.149 13.844 1.00 62.26 O
HETATM 511 O HOH A 79 17.315 9.638 13.392 1.00 65.70 O
HETATM 512 O HOH A 80 18.951 25.757 12.989 1.00 66.47 O
HETATM 513 O HOH A 81 20.460 18.861 12.664 1.00 63.00 O
HETATM 514 O HOH A 82 3.529 19.338 12.599 1.00 65.32 O
HETATM 515 O HOH A 84 16.223 12.351 9.406 1.00 63.59 O
HETATM 516 O HOH A 85 12.989 29.901 -9.282 1.00 64.97 O
HETATM 517 O HOH A 86 17.510 30.569 18.702 1.00 61.79 O
HETATM 518 O HOH A 87 25.377 12.891 19.011 1.00 73.80 O
HETATM 519 O HOH A 88 13.610 15.742 18.593 1.00 69.48 O
HETATM 520 O HOH A 89 18.012 32.598 15.262 1.00 67.52 O
HETATM 521 O HOH A 92 8.723 13.216 6.359 1.00 70.66 O
HETATM 522 O HOH A 97 18.779 13.814 11.704 1.00 71.14 O
HETATM 523 O HOH A 99 12.227 25.192 -10.299 1.00 70.46 O
HETATM 524 O HOH A 100 12.292 30.291 27.102 1.00 73.04 O
HETATM 525 O HOH A 102 20.170 23.000 12.999 1.00 73.63 O
HETATM 526 O HOH B 26 14.354 27.683 16.369 1.00 40.92 O
HETATM 527 O HOH B 27 9.864 22.509 9.123 1.00 39.67 O
HETATM 528 O HOH B 28 19.526 19.144 7.481 1.00 51.15 O
HETATM 529 O HOH B 29 25.754 12.744 -1.835 1.00 51.80 O
HETATM 530 O HOH B 30 7.478 20.604 -9.000 1.00 44.82 O
HETATM 531 O HOH B 33 9.012 24.586 7.009 1.00 43.42 O
HETATM 532 O HOH B 34 10.152 19.917 13.381 1.00 48.04 O
HETATM 533 O HOH B 35 7.764 21.397 11.075 1.00 41.41 O
HETATM 534 O HOH B 37 13.239 14.428 2.049 1.00 55.54 O
HETATM 535 O HOH B 42 12.601 23.000 29.167 1.00 51.36 O
HETATM 536 O HOH B 43 10.440 25.542 24.443 1.00 56.79 O
HETATM 537 O HOH B 44 16.979 28.689 16.284 1.00 50.41 O
HETATM 538 O HOH B 45 4.794 22.966 13.368 1.00 45.95 O
HETATM 539 O HOH B 46 4.208 25.591 10.828 1.00 51.06 O
HETATM 540 O HOH B 47 6.362 24.374 9.188 1.00 51.85 O
HETATM 541 O HOH B 48 7.688 28.411 7.883 1.00 49.33 O
HETATM 542 O HOH B 49 18.379 17.074 4.809 1.00 50.72 O
HETATM 543 O HOH B 51 26.464 23.826 1.396 1.00 53.21 O
HETATM 544 O HOH B 52 11.014 11.318 -2.909 1.00 51.36 O
HETATM 545 O HOH B 53 9.476 27.782 26.498 1.00 60.04 O
HETATM 546 O HOH B 56 5.522 27.411 9.017 1.00 62.36 O
HETATM 547 O HOH B 57 18.456 28.409 8.821 1.00 59.63 O
HETATM 548 O HOH B 59 22.610 15.544 3.846 1.00 57.52 O
HETATM 549 O HOH B 60 24.407 13.162 2.229 1.00 52.30 O
HETATM 550 O HOH B 61 7.988 11.556 -2.976 1.00 59.14 O
HETATM 551 O HOH B 63 14.213 27.722 18.905 1.00 57.29 O
HETATM 552 O HOH B 68 19.101 11.433 1.080 1.00 59.79 O
HETATM 553 O HOH B 69 12.607 10.967 0.261 1.00 60.87 O
HETATM 554 O HOH B 71 15.062 26.024 -0.766 1.00 56.35 O
HETATM 555 O HOH B 72 16.380 6.413 -4.784 1.00 59.07 O
HETATM 556 O HOH B 73 14.059 5.751 -6.198 1.00 56.68 O
HETATM 557 O HOH B 75 9.613 17.039 29.793 1.00 63.48 O
HETATM 558 O HOH B 83 25.276 15.890 -1.301 1.00 64.53 O
HETATM 559 O HOH B 90 2.622 23.030 10.332 1.00 68.01 O
HETATM 560 O HOH B 91 19.701 22.518 9.511 1.00 70.25 O
HETATM 561 O HOH B 93 19.727 29.488 6.155 1.00 69.43 O
HETATM 562 O HOH B 94 17.241 11.563 4.511 1.00 72.18 O
HETATM 563 O HOH B 95 26.545 19.404 -1.091 1.00 70.14 O
HETATM 564 O HOH B 96 9.697 18.315 14.885 1.00 69.10 O
HETATM 565 O HOH B 98 14.292 25.159 2.287 1.00 68.44 O
HETATM 566 O HOH B 101 9.396 27.092 16.993 1.00 72.98 O
HETATM 567 O HOH B 103 19.987 21.691 6.802 1.00 72.66 O
HETATM 568 O HOH B 104 18.692 31.584 4.596 1.00 72.98 O
ENDMDL
MASTER 23 0 0 0 0 0 0 6 566 2 0 2
END

516
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HEADER RNA 15-AUG-03 XXXX
TITLE SOLUTION STRUCTURE OF THE DYSKERATOSIS CONGENITA MUTANT P2B HAIRPIN
TITLE 2 FROM HUMAN TELOMERASE RNA
KEYWDS TETRALOOP, PENTALOOP, UUCG, YNMG, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL AUTH C.A.THEIMER,L.D.FINGER,J.FEIGON
JRNL TITL YNMG TETRALOOP FORMATION BY A DYSKERATOSIS CONGENITA
JRNL TITL 2 MUTATION IN HUMAN TELOMERASE RNA.
JRNL REF RNA V. 9 1446 2003
JRNL REFN ISSN 1355-8382
JRNL PMID 14624001
JRNL DOI 10.1261/RNA.5152303
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
REMARK 1 TITL MUTATIONS LINKED TO DYSKERATOSIS CONGENITA CAUSE CHANGES IN
REMARK 1 TITL 2 THE STRUCTURAL EQUILIBRIUM IN TELOMERASE RNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 100 449 2003
REMARK 1 REFN ISSN 0027-8424
REMARK 1 DOI 10.1073/PNAS.242720799
SEQRES 1 A 15 G G C U C U C A G U G A G
SEQRES 2 A 15 C C
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 O5' G A 1 -9.383 3.564 6.205 1.00 0.00 O
ATOM 2 C5' G A 1 -10.723 3.323 6.644 1.00 0.00 C
ATOM 3 C4' G A 1 -11.741 4.029 5.754 1.00 0.00 C
ATOM 4 O4' G A 1 -11.853 5.419 6.093 1.00 0.00 O
ATOM 5 C3' G A 1 -11.309 3.989 4.295 1.00 0.00 C
ATOM 6 O3' G A 1 -11.974 2.893 3.663 1.00 0.00 O
ATOM 7 C2' G A 1 -11.879 5.286 3.739 1.00 0.00 C
ATOM 8 O2' G A 1 -13.256 5.139 3.373 1.00 0.00 O
ATOM 9 C1' G A 1 -11.717 6.225 4.913 1.00 0.00 C
ATOM 10 N9 G A 1 -10.407 6.907 4.872 1.00 0.00 N
ATOM 11 C8 G A 1 -9.448 7.007 5.827 1.00 0.00 C
ATOM 12 N7 G A 1 -8.383 7.675 5.538 1.00 0.00 N
ATOM 13 C5 G A 1 -8.647 8.080 4.227 1.00 0.00 C
ATOM 14 C6 G A 1 -7.855 8.856 3.338 1.00 0.00 C
ATOM 15 O6 G A 1 -6.746 9.346 3.535 1.00 0.00 O
ATOM 16 N1 G A 1 -8.489 9.035 2.115 1.00 0.00 N
ATOM 17 C2 G A 1 -9.731 8.532 1.782 1.00 0.00 C
ATOM 18 N2 G A 1 -10.171 8.812 0.556 1.00 0.00 N
ATOM 19 N3 G A 1 -10.483 7.801 2.613 1.00 0.00 N
ATOM 20 C4 G A 1 -9.885 7.614 3.811 1.00 0.00 C
ATOM 21 H5' G A 1 -10.832 3.685 7.667 1.00 0.00 H
ATOM 22 H5'' G A 1 -10.916 2.250 6.625 1.00 0.00 H
ATOM 23 H4' G A 1 -12.716 3.550 5.860 1.00 0.00 H
ATOM 24 H3' G A 1 -10.223 3.931 4.193 1.00 0.00 H
ATOM 25 H2' G A 1 -11.288 5.649 2.897 1.00 0.00 H
ATOM 26 HO2' G A 1 -13.543 5.978 3.004 1.00 0.00 H
ATOM 27 H1' G A 1 -12.507 6.963 4.879 1.00 0.00 H
ATOM 28 H8 G A 1 -9.569 6.536 6.801 1.00 0.00 H
ATOM 29 H1 G A 1 -7.984 9.578 1.429 1.00 0.00 H
ATOM 30 H21 G A 1 -9.602 9.364 -0.071 1.00 0.00 H
ATOM 31 H22 G A 1 -11.073 8.473 0.253 1.00 0.00 H
ATOM 32 HO5' G A 1 -8.994 4.198 6.811 1.00 0.00 H
ATOM 33 P G A 2 -11.123 1.737 2.936 1.00 0.00 P
ATOM 34 OP1 G A 2 -11.895 0.477 3.010 1.00 0.00 O
ATOM 35 OP2 G A 2 -9.738 1.787 3.454 1.00 0.00 O
ATOM 36 O5' G A 2 -11.106 2.229 1.404 1.00 0.00 O
ATOM 37 C5' G A 2 -12.319 2.299 0.651 1.00 0.00 C
ATOM 38 C4' G A 2 -12.144 3.138 -0.610 1.00 0.00 C
ATOM 39 O4' G A 2 -11.824 4.498 -0.290 1.00 0.00 O
ATOM 40 C3' G A 2 -10.990 2.613 -1.452 1.00 0.00 C
ATOM 41 O3' G A 2 -11.530 1.788 -2.488 1.00 0.00 O
ATOM 42 C2' G A 2 -10.417 3.864 -2.092 1.00 0.00 C
ATOM 43 O2' G A 2 -11.073 4.164 -3.330 1.00 0.00 O
ATOM 44 C1' G A 2 -10.687 4.938 -1.048 1.00 0.00 C
ATOM 45 N9 G A 2 -9.513 5.155 -0.174 1.00 0.00 N
ATOM 46 C8 G A 2 -9.332 4.852 1.140 1.00 0.00 C
ATOM 47 N7 G A 2 -8.195 5.153 1.671 1.00 0.00 N
ATOM 48 C5 G A 2 -7.519 5.733 0.594 1.00 0.00 C
ATOM 49 C6 G A 2 -6.208 6.277 0.529 1.00 0.00 C
ATOM 50 O6 G A 2 -5.369 6.351 1.424 1.00 0.00 O
ATOM 51 N1 G A 2 -5.918 6.760 -0.741 1.00 0.00 N
ATOM 52 C2 G A 2 -6.778 6.726 -1.820 1.00 0.00 C
ATOM 53 N2 G A 2 -6.316 7.241 -2.959 1.00 0.00 N
ATOM 54 N3 G A 2 -8.013 6.217 -1.768 1.00 0.00 N
ATOM 55 C4 G A 2 -8.319 5.740 -0.540 1.00 0.00 C
ATOM 56 H5' G A 2 -13.098 2.743 1.270 1.00 0.00 H
ATOM 57 H5'' G A 2 -12.620 1.290 0.368 1.00 0.00 H
ATOM 58 H4' G A 2 -13.063 3.112 -1.195 1.00 0.00 H
ATOM 59 H3' G A 2 -10.249 2.084 -0.852 1.00 0.00 H
ATOM 60 H2' G A 2 -9.346 3.755 -2.240 1.00 0.00 H
ATOM 61 HO2' G A 2 -10.493 4.746 -3.827 1.00 0.00 H
ATOM 62 H1' G A 2 -10.925 5.865 -1.561 1.00 0.00 H
ATOM 63 H8 G A 2 -10.120 4.379 1.731 1.00 0.00 H
ATOM 64 H1 G A 2 -5.000 7.164 -0.863 1.00 0.00 H
ATOM 65 H21 G A 2 -5.383 7.625 -2.998 1.00 0.00 H
ATOM 66 H22 G A 2 -6.899 7.247 -3.784 1.00 0.00 H
ATOM 67 P C A 3 -10.602 0.706 -3.235 1.00 0.00 P
ATOM 68 OP1 C A 3 -11.427 0.006 -4.245 1.00 0.00 O
ATOM 69 OP2 C A 3 -9.876 -0.071 -2.206 1.00 0.00 O
ATOM 70 O5' C A 3 -9.538 1.633 -4.010 1.00 0.00 O
ATOM 71 C5' C A 3 -9.959 2.479 -5.082 1.00 0.00 C
ATOM 72 C4' C A 3 -8.777 3.191 -5.733 1.00 0.00 C
ATOM 73 O4' C A 3 -8.128 4.072 -4.819 1.00 0.00 O
ATOM 74 C3' C A 3 -7.709 2.203 -6.153 1.00 0.00 C
ATOM 75 O3' C A 3 -7.980 1.775 -7.489 1.00 0.00 O
ATOM 76 C2' C A 3 -6.444 3.047 -6.167 1.00 0.00 C
ATOM 77 O2' C A 3 -6.235 3.655 -7.447 1.00 0.00 O
ATOM 78 C1' C A 3 -6.716 4.098 -5.087 1.00 0.00 C
ATOM 79 N1 C A 3 -5.941 3.806 -3.868 1.00 0.00 N
ATOM 80 C2 C A 3 -4.611 4.192 -3.848 1.00 0.00 C
ATOM 81 O2 C A 3 -4.124 4.773 -4.815 1.00 0.00 O
ATOM 82 N3 C A 3 -3.875 3.911 -2.737 1.00 0.00 N
ATOM 83 C4 C A 3 -4.423 3.278 -1.691 1.00 0.00 C
ATOM 84 N4 C A 3 -3.673 3.015 -0.620 1.00 0.00 N
ATOM 85 C5 C A 3 -5.798 2.880 -1.712 1.00 0.00 C
ATOM 86 C6 C A 3 -6.514 3.164 -2.814 1.00 0.00 C
ATOM 87 H5' C A 3 -10.656 3.222 -4.696 1.00 0.00 H
ATOM 88 H5'' C A 3 -10.467 1.873 -5.833 1.00 0.00 H
ATOM 89 H4' C A 3 -9.117 3.755 -6.596 1.00 0.00 H
ATOM 90 H3' C A 3 -7.637 1.367 -5.460 1.00 0.00 H
ATOM 91 H2' C A 3 -5.585 2.434 -5.883 1.00 0.00 H
ATOM 92 HO2' C A 3 -5.361 3.394 -7.748 1.00 0.00 H
ATOM 93 H1' C A 3 -6.440 5.082 -5.462 1.00 0.00 H
ATOM 94 H41 C A 3 -2.699 3.294 -0.602 1.00 0.00 H
ATOM 95 H42 C A 3 -4.077 2.535 0.176 1.00 0.00 H
ATOM 96 H5 C A 3 -6.250 2.364 -0.867 1.00 0.00 H
ATOM 97 H6 C A 3 -7.564 2.880 -2.863 1.00 0.00 H
ATOM 98 P U A 4 -7.339 0.407 -8.048 1.00 0.00 P
ATOM 99 OP1 U A 4 -7.766 0.237 -9.454 1.00 0.00 O
ATOM 100 OP2 U A 4 -7.602 -0.664 -7.062 1.00 0.00 O
ATOM 101 O5' U A 4 -5.760 0.728 -8.034 1.00 0.00 O
ATOM 102 C5' U A 4 -5.176 1.520 -9.071 1.00 0.00 C
ATOM 103 C4' U A 4 -3.740 1.919 -8.743 1.00 0.00 C
ATOM 104 O4' U A 4 -3.600 2.304 -7.382 1.00 0.00 O
ATOM 105 C3' U A 4 -2.786 0.751 -8.913 1.00 0.00 C
ATOM 106 O3' U A 4 -2.302 0.755 -10.259 1.00 0.00 O
ATOM 107 C2' U A 4 -1.627 1.102 -7.988 1.00 0.00 C
ATOM 108 O2' U A 4 -0.565 1.744 -8.703 1.00 0.00 O
ATOM 109 C1' U A 4 -2.254 2.051 -6.959 1.00 0.00 C
ATOM 110 N1 U A 4 -2.223 1.453 -5.613 1.00 0.00 N
ATOM 111 C2 U A 4 -1.101 1.686 -4.845 1.00 0.00 C
ATOM 112 O2 U A 4 -0.165 2.373 -5.247 1.00 0.00 O
ATOM 113 N3 U A 4 -1.089 1.101 -3.594 1.00 0.00 N
ATOM 114 C4 U A 4 -2.092 0.311 -3.053 1.00 0.00 C
ATOM 115 O4 U A 4 -1.980 -0.164 -1.925 1.00 0.00 O
ATOM 116 C5 U A 4 -3.227 0.123 -3.926 1.00 0.00 C
ATOM 117 C6 U A 4 -3.260 0.688 -5.156 1.00 0.00 C
ATOM 118 H5' U A 4 -5.772 2.423 -9.203 1.00 0.00 H
ATOM 119 H5'' U A 4 -5.184 0.950 -10.000 1.00 0.00 H
ATOM 120 H4' U A 4 -3.431 2.742 -9.385 1.00 0.00 H
ATOM 121 H3' U A 4 -3.250 -0.198 -8.645 1.00 0.00 H
ATOM 122 H2' U A 4 -1.265 0.199 -7.488 1.00 0.00 H
ATOM 123 HO2' U A 4 0.087 2.022 -8.055 1.00 0.00 H
ATOM 124 H1' U A 4 -1.697 2.988 -6.948 1.00 0.00 H
ATOM 125 H3 U A 4 -0.273 1.265 -3.022 1.00 0.00 H
ATOM 126 H5 U A 4 -4.065 -0.484 -3.591 1.00 0.00 H
ATOM 127 H6 U A 4 -4.131 0.532 -5.793 1.00 0.00 H
ATOM 128 P C A 5 -1.450 -0.490 -10.820 1.00 0.00 P
ATOM 129 OP1 C A 5 -0.828 -0.087 -12.101 1.00 0.00 O
ATOM 130 OP2 C A 5 -2.302 -1.699 -10.760 1.00 0.00 O
ATOM 131 O5' C A 5 -0.285 -0.641 -9.720 1.00 0.00 O
ATOM 132 C5' C A 5 0.912 0.133 -9.823 1.00 0.00 C
ATOM 133 C4' C A 5 2.041 -0.467 -8.990 1.00 0.00 C
ATOM 134 O4' C A 5 1.897 -0.160 -7.607 1.00 0.00 O
ATOM 135 C3' C A 5 2.021 -1.981 -9.045 1.00 0.00 C
ATOM 136 O3' C A 5 2.779 -2.412 -10.178 1.00 0.00 O
ATOM 137 C2' C A 5 2.776 -2.372 -7.783 1.00 0.00 C
ATOM 138 O2' C A 5 4.179 -2.498 -8.034 1.00 0.00 O
ATOM 139 C1' C A 5 2.490 -1.211 -6.826 1.00 0.00 C
ATOM 140 N1 C A 5 1.595 -1.643 -5.736 1.00 0.00 N
ATOM 141 C2 C A 5 2.167 -1.845 -4.491 1.00 0.00 C
ATOM 142 O2 C A 5 3.369 -1.645 -4.327 1.00 0.00 O
ATOM 143 N3 C A 5 1.368 -2.267 -3.474 1.00 0.00 N
ATOM 144 C4 C A 5 0.061 -2.481 -3.670 1.00 0.00 C
ATOM 145 N4 C A 5 -0.692 -2.894 -2.650 1.00 0.00 N
ATOM 146 C5 C A 5 -0.536 -2.272 -4.955 1.00 0.00 C
ATOM 147 C6 C A 5 0.265 -1.854 -5.955 1.00 0.00 C
ATOM 148 H5' C A 5 0.713 1.147 -9.474 1.00 0.00 H
ATOM 149 H5'' C A 5 1.223 0.170 -10.867 1.00 0.00 H
ATOM 150 H4' C A 5 3.000 -0.097 -9.345 1.00 0.00 H
ATOM 151 H3' C A 5 1.004 -2.374 -9.053 1.00 0.00 H
ATOM 152 H2' C A 5 2.368 -3.301 -7.376 1.00 0.00 H
ATOM 153 HO2' C A 5 4.546 -1.612 -8.054 1.00 0.00 H
ATOM 154 H1' C A 5 3.429 -0.857 -6.401 1.00 0.00 H
ATOM 155 H41 C A 5 -0.273 -3.044 -1.740 1.00 0.00 H
ATOM 156 H42 C A 5 -1.682 -3.058 -2.785 1.00 0.00 H
ATOM 157 H5 C A 5 -1.600 -2.447 -5.119 1.00 0.00 H
ATOM 158 H6 C A 5 -0.154 -1.683 -6.947 1.00 0.00 H
ATOM 159 P U A 6 2.600 -3.905 -10.758 1.00 0.00 P
ATOM 160 OP1 U A 6 3.615 -4.117 -11.814 1.00 0.00 O
ATOM 161 OP2 U A 6 1.166 -4.117 -11.059 1.00 0.00 O
ATOM 162 O5' U A 6 2.990 -4.823 -9.494 1.00 0.00 O
ATOM 163 C5' U A 6 4.302 -4.753 -8.933 1.00 0.00 C
ATOM 164 C4' U A 6 4.360 -5.381 -7.544 1.00 0.00 C
ATOM 165 O4' U A 6 3.196 -5.087 -6.781 1.00 0.00 O
ATOM 166 C3' U A 6 4.391 -6.892 -7.629 1.00 0.00 C
ATOM 167 O3' U A 6 5.755 -7.310 -7.723 1.00 0.00 O
ATOM 168 C2' U A 6 3.843 -7.331 -6.277 1.00 0.00 C
ATOM 169 O2' U A 6 4.901 -7.570 -5.342 1.00 0.00 O
ATOM 170 C1' U A 6 2.968 -6.148 -5.841 1.00 0.00 C
ATOM 171 N1 U A 6 1.544 -6.535 -5.810 1.00 0.00 N
ATOM 172 C2 U A 6 1.116 -7.307 -4.746 1.00 0.00 C
ATOM 173 O2 U A 6 1.875 -7.655 -3.845 1.00 0.00 O
ATOM 174 N3 U A 6 -0.220 -7.666 -4.753 1.00 0.00 N
ATOM 175 C4 U A 6 -1.152 -7.324 -5.718 1.00 0.00 C
ATOM 176 O4 U A 6 -2.318 -7.701 -5.625 1.00 0.00 O
ATOM 177 C5 U A 6 -0.618 -6.516 -6.791 1.00 0.00 C
ATOM 178 C6 U A 6 0.688 -6.153 -6.806 1.00 0.00 C
ATOM 179 H5' U A 6 4.604 -3.708 -8.863 1.00 0.00 H
ATOM 180 H5'' U A 6 4.995 -5.280 -9.589 1.00 0.00 H
ATOM 181 H4' U A 6 5.240 -5.023 -7.014 1.00 0.00 H
ATOM 182 H3' U A 6 3.787 -7.267 -8.456 1.00 0.00 H
ATOM 183 H2' U A 6 3.227 -8.224 -6.399 1.00 0.00 H
ATOM 184 HO2' U A 6 5.052 -6.751 -4.864 1.00 0.00 H
ATOM 185 H1' U A 6 3.273 -5.821 -4.847 1.00 0.00 H
ATOM 186 H3 U A 6 -0.546 -8.231 -3.982 1.00 0.00 H
ATOM 187 H5 U A 6 -1.273 -6.196 -7.601 1.00 0.00 H
ATOM 188 H6 U A 6 1.063 -5.544 -7.627 1.00 0.00 H
ATOM 189 P C A 7 6.278 -8.099 -9.024 1.00 0.00 P
ATOM 190 OP1 C A 7 6.697 -7.101 -10.035 1.00 0.00 O
ATOM 191 OP2 C A 7 5.275 -9.128 -9.376 1.00 0.00 O
ATOM 192 O5' C A 7 7.595 -8.845 -8.477 1.00 0.00 O
ATOM 193 C5' C A 7 8.809 -8.117 -8.273 1.00 0.00 C
ATOM 194 C4' C A 7 9.449 -8.460 -6.931 1.00 0.00 C
ATOM 195 O4' C A 7 10.257 -7.380 -6.457 1.00 0.00 O
ATOM 196 C3' C A 7 8.380 -8.712 -5.864 1.00 0.00 C
ATOM 197 O3' C A 7 8.646 -9.981 -5.259 1.00 0.00 O
ATOM 198 C2' C A 7 8.606 -7.628 -4.812 1.00 0.00 C
ATOM 199 O2' C A 7 8.433 -8.142 -3.487 1.00 0.00 O
ATOM 200 C1' C A 7 10.044 -7.206 -5.059 1.00 0.00 C
ATOM 201 N1 C A 7 10.266 -5.803 -4.657 1.00 0.00 N
ATOM 202 C2 C A 7 10.414 -5.539 -3.304 1.00 0.00 C
ATOM 203 O2 C A 7 10.350 -6.455 -2.487 1.00 0.00 O
ATOM 204 N3 C A 7 10.628 -4.250 -2.918 1.00 0.00 N
ATOM 205 C4 C A 7 10.694 -3.263 -3.822 1.00 0.00 C
ATOM 206 N4 C A 7 10.906 -2.011 -3.413 1.00 0.00 N
ATOM 207 C5 C A 7 10.541 -3.533 -5.219 1.00 0.00 C
ATOM 208 C6 C A 7 10.330 -4.809 -5.590 1.00 0.00 C
ATOM 209 H5' C A 7 8.592 -7.049 -8.302 1.00 0.00 H
ATOM 210 H5'' C A 7 9.508 -8.360 -9.073 1.00 0.00 H
ATOM 211 H4' C A 7 10.067 -9.350 -7.042 1.00 0.00 H
ATOM 212 H3' C A 7 7.374 -8.665 -6.281 1.00 0.00 H
ATOM 213 H2' C A 7 7.933 -6.785 -4.993 1.00 0.00 H
ATOM 214 HO2' C A 7 7.566 -7.865 -3.183 1.00 0.00 H
ATOM 215 H1' C A 7 10.717 -7.858 -4.502 1.00 0.00 H
ATOM 216 H41 C A 7 11.015 -1.813 -2.429 1.00 0.00 H
ATOM 217 H42 C A 7 10.959 -1.262 -4.088 1.00 0.00 H
ATOM 218 H5 C A 7 10.594 -2.733 -5.957 1.00 0.00 H
ATOM 219 H6 C A 7 10.209 -5.051 -6.645 1.00 0.00 H
ATOM 220 P A A 8 7.980 -11.324 -5.847 1.00 0.00 P
ATOM 221 OP1 A A 8 8.858 -12.464 -5.503 1.00 0.00 O
ATOM 222 OP2 A A 8 7.612 -11.078 -7.259 1.00 0.00 O
ATOM 223 O5' A A 8 6.624 -11.453 -4.987 1.00 0.00 O
ATOM 224 C5' A A 8 6.459 -10.706 -3.778 1.00 0.00 C
ATOM 225 C4' A A 8 5.029 -10.794 -3.250 1.00 0.00 C
ATOM 226 O4' A A 8 4.087 -10.305 -4.216 1.00 0.00 O
ATOM 227 C3' A A 8 4.635 -12.242 -2.975 1.00 0.00 C
ATOM 228 O3' A A 8 3.666 -12.253 -1.924 1.00 0.00 O
ATOM 229 C2' A A 8 3.942 -12.660 -4.259 1.00 0.00 C
ATOM 230 O2' A A 8 3.009 -13.725 -4.035 1.00 0.00 O
ATOM 231 C1' A A 8 3.240 -11.374 -4.666 1.00 0.00 C
ATOM 232 N9 A A 8 3.038 -11.319 -6.126 1.00 0.00 N
ATOM 233 C8 A A 8 3.947 -11.224 -7.128 1.00 0.00 C
ATOM 234 N7 A A 8 3.499 -11.208 -8.340 1.00 0.00 N
ATOM 235 C5 A A 8 2.119 -11.304 -8.131 1.00 0.00 C
ATOM 236 C6 A A 8 1.027 -11.341 -9.006 1.00 0.00 C
ATOM 237 N6 A A 8 1.153 -11.285 -10.333 1.00 0.00 N
ATOM 238 N1 A A 8 -0.200 -11.439 -8.462 1.00 0.00 N
ATOM 239 C2 A A 8 -0.348 -11.497 -7.137 1.00 0.00 C
ATOM 240 N3 A A 8 0.613 -11.470 -6.219 1.00 0.00 N
ATOM 241 C4 A A 8 1.832 -11.372 -6.787 1.00 0.00 C
ATOM 242 H5' A A 8 6.703 -9.661 -3.971 1.00 0.00 H
ATOM 243 H5'' A A 8 7.141 -11.097 -3.023 1.00 0.00 H
ATOM 244 H4' A A 8 4.946 -10.210 -2.332 1.00 0.00 H
ATOM 245 H3' A A 8 5.499 -12.868 -2.751 1.00 0.00 H
ATOM 246 H2' A A 8 4.684 -12.939 -5.012 1.00 0.00 H
ATOM 247 HO2' A A 8 2.663 -13.620 -3.146 1.00 0.00 H
ATOM 248 H1' A A 8 2.272 -11.313 -4.165 1.00 0.00 H
ATOM 249 H8 A A 8 5.015 -11.164 -6.919 1.00 0.00 H
ATOM 250 H61 A A 8 0.331 -11.316 -10.919 1.00 0.00 H
ATOM 251 H62 A A 8 2.069 -11.212 -10.750 1.00 0.00 H
ATOM 252 H2 A A 8 -1.370 -11.575 -6.766 1.00 0.00 H
ATOM 253 P G A 9 4.106 -12.538 -0.401 1.00 0.00 P
ATOM 254 OP1 G A 9 5.256 -13.471 -0.417 1.00 0.00 O
ATOM 255 OP2 G A 9 2.893 -12.874 0.376 1.00 0.00 O
ATOM 256 O5' G A 9 4.632 -11.097 0.086 1.00 0.00 O
ATOM 257 C5' G A 9 3.981 -10.411 1.159 1.00 0.00 C
ATOM 258 C4' G A 9 4.964 -10.083 2.287 1.00 0.00 C
ATOM 259 O4' G A 9 6.294 -10.003 1.766 1.00 0.00 O
ATOM 260 C3' G A 9 4.655 -8.732 2.946 1.00 0.00 C
ATOM 261 O3' G A 9 4.248 -8.989 4.294 1.00 0.00 O
ATOM 262 C2' G A 9 6.005 -8.008 3.023 1.00 0.00 C
ATOM 263 O2' G A 9 6.585 -8.136 4.326 1.00 0.00 O
ATOM 264 C1' G A 9 6.858 -8.706 1.979 1.00 0.00 C
ATOM 265 N9 G A 9 6.912 -7.918 0.730 1.00 0.00 N
ATOM 266 C8 G A 9 7.921 -7.158 0.244 1.00 0.00 C
ATOM 267 N7 G A 9 7.730 -6.550 -0.877 1.00 0.00 N
ATOM 268 C5 G A 9 6.428 -6.942 -1.195 1.00 0.00 C
ATOM 269 C6 G A 9 5.627 -6.607 -2.320 1.00 0.00 C
ATOM 270 O6 G A 9 5.915 -5.887 -3.273 1.00 0.00 O
ATOM 271 N1 G A 9 4.379 -7.213 -2.256 1.00 0.00 N
ATOM 272 C2 G A 9 3.949 -8.039 -1.238 1.00 0.00 C
ATOM 273 N2 G A 9 2.713 -8.527 -1.356 1.00 0.00 N
ATOM 274 N3 G A 9 4.696 -8.359 -0.176 1.00 0.00 N
ATOM 275 C4 G A 9 5.917 -7.782 -0.216 1.00 0.00 C
ATOM 276 H5' G A 9 3.184 -11.042 1.552 1.00 0.00 H
ATOM 277 H5'' G A 9 3.547 -9.490 0.772 1.00 0.00 H
ATOM 278 H4' G A 9 4.923 -10.870 3.039 1.00 0.00 H
ATOM 279 H3' G A 9 3.903 -8.162 2.397 1.00 0.00 H
ATOM 280 H2' G A 9 5.894 -6.949 2.758 1.00 0.00 H
ATOM 281 HO2' G A 9 5.901 -8.464 4.913 1.00 0.00 H
ATOM 282 H1' G A 9 7.870 -8.819 2.368 1.00 0.00 H
ATOM 283 H8 G A 9 8.860 -7.062 0.787 1.00 0.00 H
ATOM 284 H1 G A 9 3.753 -7.021 -3.025 1.00 0.00 H
ATOM 285 H21 G A 9 2.149 -8.285 -2.158 1.00 0.00 H
ATOM 286 H22 G A 9 2.341 -9.139 -0.643 1.00 0.00 H
ATOM 287 P U A 10 2.707 -8.813 4.728 1.00 0.00 P
ATOM 288 OP1 U A 10 2.233 -10.100 5.285 1.00 0.00 O
ATOM 289 OP2 U A 10 1.978 -8.183 3.604 1.00 0.00 O
ATOM 290 O5' U A 10 2.796 -7.747 5.931 1.00 0.00 O
ATOM 291 C5' U A 10 1.605 -7.195 6.501 1.00 0.00 C
ATOM 292 C4' U A 10 1.691 -5.677 6.617 1.00 0.00 C
ATOM 293 O4' U A 10 0.387 -5.084 6.637 1.00 0.00 O
ATOM 294 C3' U A 10 2.364 -5.264 7.919 1.00 0.00 C
ATOM 295 O3' U A 10 3.013 -4.008 7.706 1.00 0.00 O
ATOM 296 C2' U A 10 1.195 -5.040 8.865 1.00 0.00 C
ATOM 297 O2' U A 10 1.518 -4.081 9.878 1.00 0.00 O
ATOM 298 C1' U A 10 0.115 -4.517 7.927 1.00 0.00 C
ATOM 299 N1 U A 10 -1.226 -4.908 8.395 1.00 0.00 N
ATOM 300 C2 U A 10 -1.991 -3.941 9.019 1.00 0.00 C
ATOM 301 O2 U A 10 -1.582 -2.796 9.193 1.00 0.00 O
ATOM 302 N3 U A 10 -3.248 -4.339 9.436 1.00 0.00 N
ATOM 303 C4 U A 10 -3.796 -5.602 9.286 1.00 0.00 C
ATOM 304 O4 U A 10 -4.929 -5.845 9.697 1.00 0.00 O
ATOM 305 C5 U A 10 -2.925 -6.546 8.625 1.00 0.00 C
ATOM 306 C6 U A 10 -1.691 -6.180 8.208 1.00 0.00 C
ATOM 307 H5' U A 10 1.457 -7.621 7.494 1.00 0.00 H
ATOM 308 H5'' U A 10 0.755 -7.457 5.871 1.00 0.00 H
ATOM 309 H4' U A 10 2.252 -5.279 5.776 1.00 0.00 H
ATOM 310 H3' U A 10 3.055 -6.027 8.284 1.00 0.00 H
ATOM 311 H2' U A 10 0.874 -5.988 9.310 1.00 0.00 H
ATOM 312 HO2' U A 10 0.691 -3.710 10.194 1.00 0.00 H
ATOM 313 H1' U A 10 0.177 -3.431 7.869 1.00 0.00 H
ATOM 314 H3 U A 10 -3.820 -3.643 9.893 1.00 0.00 H
ATOM 315 H5 U A 10 -3.265 -7.567 8.458 1.00 0.00 H
ATOM 316 H6 U A 10 -1.055 -6.913 7.712 1.00 0.00 H
ATOM 317 P G A 11 4.336 -3.622 8.538 1.00 0.00 P
ATOM 318 OP1 G A 11 4.841 -4.846 9.200 1.00 0.00 O
ATOM 319 OP2 G A 11 4.043 -2.415 9.343 1.00 0.00 O
ATOM 320 O5' G A 11 5.374 -3.212 7.377 1.00 0.00 O
ATOM 321 C5' G A 11 4.906 -2.701 6.125 1.00 0.00 C
ATOM 322 C4' G A 11 6.027 -2.643 5.093 1.00 0.00 C
ATOM 323 O4' G A 11 6.074 -3.843 4.304 1.00 0.00 O
ATOM 324 C3' G A 11 5.810 -1.507 4.102 1.00 0.00 C
ATOM 325 O3' G A 11 6.540 -0.362 4.550 1.00 0.00 O
ATOM 326 C2' G A 11 6.467 -2.042 2.846 1.00 0.00 C
ATOM 327 O2' G A 11 7.890 -1.883 2.885 1.00 0.00 O
ATOM 328 C1' G A 11 6.064 -3.503 2.909 1.00 0.00 C
ATOM 329 N9 G A 11 4.723 -3.698 2.326 1.00 0.00 N
ATOM 330 C8 G A 11 3.594 -4.183 2.898 1.00 0.00 C
ATOM 331 N7 G A 11 2.523 -4.213 2.178 1.00 0.00 N
ATOM 332 C5 G A 11 2.979 -3.684 0.967 1.00 0.00 C
ATOM 333 C6 G A 11 2.276 -3.450 -0.245 1.00 0.00 C
ATOM 334 O6 G A 11 1.092 -3.666 -0.493 1.00 0.00 O
ATOM 335 N1 G A 11 3.104 -2.907 -1.218 1.00 0.00 N
ATOM 336 C2 G A 11 4.445 -2.621 -1.052 1.00 0.00 C
ATOM 337 N2 G A 11 5.072 -2.103 -2.108 1.00 0.00 N
ATOM 338 N3 G A 11 5.114 -2.837 0.085 1.00 0.00 N
ATOM 339 C4 G A 11 4.327 -3.367 1.049 1.00 0.00 C
ATOM 340 H5' G A 11 4.509 -1.697 6.277 1.00 0.00 H
ATOM 341 H5'' G A 11 4.111 -3.346 5.752 1.00 0.00 H
ATOM 342 H4' G A 11 6.982 -2.509 5.599 1.00 0.00 H
ATOM 343 H3' G A 11 4.752 -1.292 3.950 1.00 0.00 H
ATOM 344 H2' G A 11 6.040 -1.570 1.958 1.00 0.00 H
ATOM 345 HO2' G A 11 8.197 -2.272 3.707 1.00 0.00 H
ATOM 346 H1' G A 11 6.792 -4.111 2.374 1.00 0.00 H
ATOM 347 H8 G A 11 3.590 -4.535 3.929 1.00 0.00 H
ATOM 348 H1 G A 11 2.672 -2.713 -2.110 1.00 0.00 H
ATOM 349 H21 G A 11 4.565 -1.940 -2.967 1.00 0.00 H
ATOM 350 H22 G A 11 6.053 -1.874 -2.050 1.00 0.00 H
ATOM 351 P A A 12 5.757 0.971 5.002 1.00 0.00 P
ATOM 352 OP1 A A 12 6.560 1.648 6.044 1.00 0.00 O
ATOM 353 OP2 A A 12 4.348 0.609 5.275 1.00 0.00 O
ATOM 354 O5' A A 12 5.796 1.874 3.669 1.00 0.00 O
ATOM 355 C5' A A 12 6.936 2.689 3.382 1.00 0.00 C
ATOM 356 C4' A A 12 7.142 2.863 1.880 1.00 0.00 C
ATOM 357 O4' A A 12 6.874 1.647 1.176 1.00 0.00 O
ATOM 358 C3' A A 12 6.177 3.883 1.299 1.00 0.00 C
ATOM 359 O3' A A 12 6.795 5.173 1.341 1.00 0.00 O
ATOM 360 C2' A A 12 6.079 3.446 -0.155 1.00 0.00 C
ATOM 361 O2' A A 12 7.161 3.970 -0.933 1.00 0.00 O
ATOM 362 C1' A A 12 6.161 1.931 -0.041 1.00 0.00 C
ATOM 363 N9 A A 12 4.811 1.338 -0.022 1.00 0.00 N
ATOM 364 C8 A A 12 4.245 0.495 0.875 1.00 0.00 C
ATOM 365 N7 A A 12 3.042 0.091 0.637 1.00 0.00 N
ATOM 366 C5 A A 12 2.760 0.742 -0.568 1.00 0.00 C
ATOM 367 C6 A A 12 1.634 0.755 -1.396 1.00 0.00 C
ATOM 368 N6 A A 12 0.528 0.060 -1.132 1.00 0.00 N
ATOM 369 N1 A A 12 1.693 1.507 -2.510 1.00 0.00 N
ATOM 370 C2 A A 12 2.794 2.206 -2.795 1.00 0.00 C
ATOM 371 N3 A A 12 3.914 2.264 -2.083 1.00 0.00 N
ATOM 372 C4 A A 12 3.831 1.503 -0.974 1.00 0.00 C
ATOM 373 H5' A A 12 7.824 2.222 3.811 1.00 0.00 H
ATOM 374 H5'' A A 12 6.796 3.669 3.838 1.00 0.00 H
ATOM 375 H4' A A 12 8.167 3.174 1.683 1.00 0.00 H
ATOM 376 H3' A A 12 5.210 3.865 1.809 1.00 0.00 H
ATOM 377 H2' A A 12 5.115 3.736 -0.581 1.00 0.00 H
ATOM 378 HO2' A A 12 7.174 3.489 -1.764 1.00 0.00 H
ATOM 379 H1' A A 12 6.719 1.532 -0.888 1.00 0.00 H
ATOM 380 H8 A A 12 4.782 0.174 1.766 1.00 0.00 H
ATOM 381 H61 A A 12 -0.255 0.100 -1.764 1.00 0.00 H
ATOM 382 H62 A A 12 0.475 -0.507 -0.299 1.00 0.00 H
ATOM 383 H2 A A 12 2.771 2.795 -3.712 1.00 0.00 H
ATOM 384 P G A 13 5.933 6.480 1.722 1.00 0.00 P
ATOM 385 OP1 G A 13 6.873 7.561 2.095 1.00 0.00 O
ATOM 386 OP2 G A 13 4.864 6.074 2.662 1.00 0.00 O
ATOM 387 O5' G A 13 5.246 6.876 0.319 1.00 0.00 O
ATOM 388 C5' G A 13 5.879 7.807 -0.562 1.00 0.00 C
ATOM 389 C4' G A 13 5.138 7.921 -1.892 1.00 0.00 C
ATOM 390 O4' G A 13 4.782 6.632 -2.405 1.00 0.00 O
ATOM 391 C3' G A 13 3.826 8.675 -1.729 1.00 0.00 C
ATOM 392 O3' G A 13 4.053 10.055 -2.027 1.00 0.00 O
ATOM 393 C2' G A 13 2.958 8.084 -2.823 1.00 0.00 C
ATOM 394 O2' G A 13 3.194 8.715 -4.087 1.00 0.00 O
ATOM 395 C1' G A 13 3.409 6.632 -2.832 1.00 0.00 C
ATOM 396 N9 G A 13 2.573 5.826 -1.925 1.00 0.00 N
ATOM 397 C8 G A 13 2.868 5.310 -0.708 1.00 0.00 C
ATOM 398 N7 G A 13 1.946 4.642 -0.101 1.00 0.00 N
ATOM 399 C5 G A 13 0.893 4.712 -1.018 1.00 0.00 C
ATOM 400 C6 G A 13 -0.417 4.170 -0.942 1.00 0.00 C
ATOM 401 O6 G A 13 -0.917 3.509 -0.035 1.00 0.00 O
ATOM 402 N1 G A 13 -1.160 4.472 -2.076 1.00 0.00 N
ATOM 403 C2 G A 13 -0.703 5.204 -3.154 1.00 0.00 C
ATOM 404 N2 G A 13 -1.568 5.388 -4.150 1.00 0.00 N
ATOM 405 N3 G A 13 0.528 5.718 -3.234 1.00 0.00 N
ATOM 406 C4 G A 13 1.270 5.437 -2.139 1.00 0.00 C
ATOM 407 H5' G A 13 6.901 7.479 -0.752 1.00 0.00 H
ATOM 408 H5'' G A 13 5.904 8.787 -0.084 1.00 0.00 H
ATOM 409 H4' G A 13 5.766 8.436 -2.618 1.00 0.00 H
ATOM 410 H3' G A 13 3.392 8.531 -0.740 1.00 0.00 H
ATOM 411 H2' G A 13 1.903 8.145 -2.543 1.00 0.00 H
ATOM 412 HO2' G A 13 3.781 9.458 -3.930 1.00 0.00 H
ATOM 413 H1' G A 13 3.339 6.235 -3.844 1.00 0.00 H
ATOM 414 H8 G A 13 3.845 5.462 -0.253 1.00 0.00 H
ATOM 415 H1 G A 13 -2.105 4.119 -2.093 1.00 0.00 H
ATOM 416 H21 G A 13 -2.498 5.000 -4.089 1.00 0.00 H
ATOM 417 H22 G A 13 -1.294 5.915 -4.966 1.00 0.00 H
ATOM 418 P C A 14 3.280 11.204 -1.204 1.00 0.00 P
ATOM 419 OP1 C A 14 3.951 12.496 -1.470 1.00 0.00 O
ATOM 420 OP2 C A 14 3.104 10.737 0.189 1.00 0.00 O
ATOM 421 O5' C A 14 1.834 11.231 -1.912 1.00 0.00 O
ATOM 422 C5' C A 14 1.667 11.844 -3.194 1.00 0.00 C
ATOM 423 C4' C A 14 0.401 11.356 -3.892 1.00 0.00 C
ATOM 424 O4' C A 14 0.203 9.955 -3.697 1.00 0.00 O
ATOM 425 C3' C A 14 -0.834 12.022 -3.316 1.00 0.00 C
ATOM 426 O3' C A 14 -1.102 13.205 -4.074 1.00 0.00 O
ATOM 427 C2' C A 14 -1.933 11.012 -3.598 1.00 0.00 C
ATOM 428 O2' C A 14 -2.514 11.221 -4.891 1.00 0.00 O
ATOM 429 C1' C A 14 -1.196 9.674 -3.525 1.00 0.00 C
ATOM 430 N1 C A 14 -1.444 9.008 -2.232 1.00 0.00 N
ATOM 431 C2 C A 14 -2.687 8.423 -2.044 1.00 0.00 C
ATOM 432 O2 C A 14 -3.527 8.464 -2.939 1.00 0.00 O
ATOM 433 N3 C A 14 -2.941 7.814 -0.854 1.00 0.00 N
ATOM 434 C4 C A 14 -2.014 7.779 0.113 1.00 0.00 C
ATOM 435 N4 C A 14 -2.297 7.177 1.268 1.00 0.00 N
ATOM 436 C5 C A 14 -0.730 8.380 -0.076 1.00 0.00 C
ATOM 437 C6 C A 14 -0.488 8.981 -1.258 1.00 0.00 C
ATOM 438 H5' C A 14 2.530 11.607 -3.816 1.00 0.00 H
ATOM 439 H5'' C A 14 1.608 12.925 -3.065 1.00 0.00 H
ATOM 440 H4' C A 14 0.467 11.566 -4.959 1.00 0.00 H
ATOM 441 H3' C A 14 -0.730 12.228 -2.250 1.00 0.00 H
ATOM 442 H2' C A 14 -2.696 11.062 -2.817 1.00 0.00 H
ATOM 443 HO2' C A 14 -2.802 10.365 -5.216 1.00 0.00 H
ATOM 444 H1' C A 14 -1.537 9.029 -4.334 1.00 0.00 H
ATOM 445 H41 C A 14 -3.204 6.749 1.406 1.00 0.00 H
ATOM 446 H42 C A 14 -1.605 7.147 2.006 1.00 0.00 H
ATOM 447 H5 C A 14 0.025 8.354 0.708 1.00 0.00 H
ATOM 448 H6 C A 14 0.481 9.448 -1.438 1.00 0.00 H
ATOM 449 P C A 15 -1.995 14.390 -3.450 1.00 0.00 P
ATOM 450 OP1 C A 15 -1.939 15.547 -4.371 1.00 0.00 O
ATOM 451 OP2 C A 15 -1.615 14.559 -2.030 1.00 0.00 O
ATOM 452 O5' C A 15 -3.481 13.774 -3.505 1.00 0.00 O
ATOM 453 C5' C A 15 -4.037 13.330 -4.745 1.00 0.00 C
ATOM 454 C4' C A 15 -5.523 13.013 -4.610 1.00 0.00 C
ATOM 455 O4' C A 15 -5.725 11.735 -4.000 1.00 0.00 O
ATOM 456 C3' C A 15 -6.215 14.027 -3.710 1.00 0.00 C
ATOM 457 O3' C A 15 -6.712 15.141 -4.460 1.00 0.00 O
ATOM 458 C2' C A 15 -7.345 13.213 -3.109 1.00 0.00 C
ATOM 459 O2' C A 15 -8.492 13.194 -3.967 1.00 0.00 O
ATOM 460 C1' C A 15 -6.724 11.828 -2.976 1.00 0.00 C
ATOM 461 N1 C A 15 -6.131 11.640 -1.639 1.00 0.00 N
ATOM 462 C2 C A 15 -6.877 10.939 -0.706 1.00 0.00 C
ATOM 463 O2 C A 15 -7.986 10.504 -1.005 1.00 0.00 O
ATOM 464 N3 C A 15 -6.349 10.752 0.534 1.00 0.00 N
ATOM 465 C4 C A 15 -5.139 11.234 0.846 1.00 0.00 C
ATOM 466 N4 C A 15 -4.652 11.033 2.069 1.00 0.00 N
ATOM 467 C5 C A 15 -4.365 11.959 -0.115 1.00 0.00 C
ATOM 468 C6 C A 15 -4.897 12.138 -1.340 1.00 0.00 C
ATOM 469 H5' C A 15 -3.511 12.432 -5.070 1.00 0.00 H
ATOM 470 H5'' C A 15 -3.907 14.111 -5.494 1.00 0.00 H
ATOM 471 H4' C A 15 -5.990 13.020 -5.594 1.00 0.00 H
ATOM 472 H3' C A 15 -5.532 14.359 -2.924 1.00 0.00 H
ATOM 473 HO3' C A 15 -5.998 15.447 -5.024 1.00 0.00 H
ATOM 474 H2' C A 15 -7.604 13.603 -2.121 1.00 0.00 H
ATOM 475 HO2' C A 15 -8.269 13.700 -4.751 1.00 0.00 H
ATOM 476 H1' C A 15 -7.488 11.070 -3.145 1.00 0.00 H
ATOM 477 H41 C A 15 -5.198 10.524 2.752 1.00 0.00 H
ATOM 478 H42 C A 15 -3.737 11.390 2.314 1.00 0.00 H
ATOM 479 H5 C A 15 -3.379 12.353 0.135 1.00 0.00 H
ATOM 480 H6 C A 15 -4.336 12.685 -2.098 1.00 0.00 H
TER 481 C A 15
ENDMDL
MASTER 8 0 0 0 0 0 0 6 316 1 0 2
END

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HEADER DNA 29-MAY-17 XXXX
TITLE G-QUADRUPLEX OF HUMAN PAPILLOMAVIRUS TYPE 52
KEYWDS G-QUADRUPLEX, DNA, HPV52
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.MARUSIC,J.PLAVEC
JRNL AUTH M.MARUSIC,J.PLAVEC
JRNL TITL TOWARDS UNDERSTANDING OF POLYMORPHISM OF THE G-RICH REGION
JRNL TITL 2 OF HUMAN PAPILLOMAVIRUS TYPE 52.
JRNL REF MOLECULES V. 24 2019
JRNL REFN ESSN 1420-3049
JRNL PMID 30987050
JRNL DOI 10.3390/MOLECULES24071294
SEQRES 1 A 23 DG DG DG DT DA DG DG DG DC DA DG DG DG
SEQRES 2 A 23 DG DA DC DA DC DA DG DG DG DT
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 O5' DG A 1 12.016 -2.727 3.587 1.00 0.00 O
ATOM 2 C5' DG A 1 11.496 -1.432 3.303 1.00 0.00 C
ATOM 3 C4' DG A 1 12.101 -0.320 4.173 1.00 0.00 C
ATOM 4 O4' DG A 1 11.565 0.936 3.772 1.00 0.00 O
ATOM 5 C3' DG A 1 11.826 -0.491 5.673 1.00 0.00 C
ATOM 6 O3' DG A 1 12.921 -1.097 6.351 1.00 0.00 O
ATOM 7 C2' DG A 1 11.679 0.954 6.139 1.00 0.00 C
ATOM 8 C1' DG A 1 11.171 1.702 4.902 1.00 0.00 C
ATOM 9 N9 DG A 1 9.705 1.990 4.981 1.00 0.00 N
ATOM 10 C8 DG A 1 9.106 2.774 5.940 1.00 0.00 C
ATOM 11 N7 DG A 1 7.887 3.145 5.662 1.00 0.00 N
ATOM 12 C5 DG A 1 7.639 2.541 4.425 1.00 0.00 C
ATOM 13 C6 DG A 1 6.489 2.625 3.563 1.00 0.00 C
ATOM 14 O6 DG A 1 5.463 3.288 3.722 1.00 0.00 O
ATOM 15 N1 DG A 1 6.603 1.875 2.414 1.00 0.00 N
ATOM 16 C2 DG A 1 7.697 1.144 2.108 1.00 0.00 C
ATOM 17 N2 DG A 1 7.717 0.551 0.940 1.00 0.00 N
ATOM 18 N3 DG A 1 8.788 1.037 2.868 1.00 0.00 N
ATOM 19 C4 DG A 1 8.715 1.774 4.025 1.00 0.00 C
ATOM 20 H5' DG A 1 10.418 -1.423 3.451 1.00 0.00 H
ATOM 21 H5'' DG A 1 11.687 -1.192 2.256 1.00 0.00 H
ATOM 22 H4' DG A 1 13.181 -0.296 4.016 1.00 0.00 H
ATOM 23 H3' DG A 1 10.888 -1.034 5.812 1.00 0.00 H
ATOM 24 H2' DG A 1 11.000 1.034 6.992 1.00 0.00 H
ATOM 25 H2'' DG A 1 12.655 1.357 6.418 1.00 0.00 H
ATOM 26 H1' DG A 1 11.679 2.669 4.856 1.00 0.00 H
ATOM 27 H8 DG A 1 9.629 3.098 6.834 1.00 0.00 H
ATOM 28 H1 DG A 1 5.829 1.890 1.771 1.00 0.00 H
ATOM 29 H21 DG A 1 6.985 0.700 0.252 1.00 0.00 H
ATOM 30 H22 DG A 1 8.536 0.023 0.700 1.00 0.00 H
ATOM 31 HO5' DG A 1 11.942 -2.915 4.555 1.00 0.00 H
ATOM 32 P DG A 2 12.785 -2.542 7.055 1.00 0.00 P
ATOM 33 OP1 DG A 2 14.150 -3.016 7.411 1.00 0.00 O
ATOM 34 OP2 DG A 2 11.937 -3.388 6.173 1.00 0.00 O
ATOM 35 O5' DG A 2 11.966 -2.228 8.414 1.00 0.00 O
ATOM 36 C5' DG A 2 12.532 -1.433 9.453 1.00 0.00 C
ATOM 37 C4' DG A 2 11.536 -0.989 10.546 1.00 0.00 C
ATOM 38 O4' DG A 2 10.474 -0.235 9.961 1.00 0.00 O
ATOM 39 C3' DG A 2 10.893 -2.137 11.346 1.00 0.00 C
ATOM 40 O3' DG A 2 10.663 -1.698 12.689 1.00 0.00 O
ATOM 41 C2' DG A 2 9.619 -2.386 10.540 1.00 0.00 C
ATOM 42 C1' DG A 2 9.266 -0.984 10.026 1.00 0.00 C
ATOM 43 N9 DG A 2 8.579 -0.965 8.712 1.00 0.00 N
ATOM 44 C8 DG A 2 8.863 -1.688 7.577 1.00 0.00 C
ATOM 45 N7 DG A 2 8.084 -1.427 6.566 1.00 0.00 N
ATOM 46 C5 DG A 2 7.214 -0.454 7.059 1.00 0.00 C
ATOM 47 C6 DG A 2 6.148 0.261 6.415 1.00 0.00 C
ATOM 48 O6 DG A 2 5.795 0.202 5.237 1.00 0.00 O
ATOM 49 N1 DG A 2 5.482 1.128 7.257 1.00 0.00 N
ATOM 50 C2 DG A 2 5.827 1.330 8.553 1.00 0.00 C
ATOM 51 N2 DG A 2 5.120 2.196 9.237 1.00 0.00 N
ATOM 52 N3 DG A 2 6.846 0.733 9.176 1.00 0.00 N
ATOM 53 C4 DG A 2 7.499 -0.169 8.377 1.00 0.00 C
ATOM 54 H5' DG A 2 12.958 -0.530 9.013 1.00 0.00 H
ATOM 55 H5'' DG A 2 13.345 -1.985 9.928 1.00 0.00 H
ATOM 56 H4' DG A 2 12.084 -0.347 11.239 1.00 0.00 H
ATOM 57 H3' DG A 2 11.535 -3.021 11.337 1.00 0.00 H
ATOM 58 H2' DG A 2 9.842 -3.080 9.734 1.00 0.00 H
ATOM 59 H2'' DG A 2 8.815 -2.802 11.137 1.00 0.00 H
ATOM 60 H1' DG A 2 8.610 -0.512 10.759 1.00 0.00 H
ATOM 61 H8 DG A 2 9.679 -2.397 7.512 1.00 0.00 H
ATOM 62 H1 DG A 2 4.663 1.585 6.890 1.00 0.00 H
ATOM 63 H21 DG A 2 4.267 2.599 8.867 1.00 0.00 H
ATOM 64 H22 DG A 2 5.365 2.331 10.201 1.00 0.00 H
ATOM 65 P DG A 3 10.044 -2.640 13.860 1.00 0.00 P
ATOM 66 OP1 DG A 3 10.302 -1.964 15.161 1.00 0.00 O
ATOM 67 OP2 DG A 3 10.547 -4.028 13.674 1.00 0.00 O
ATOM 68 O5' DG A 3 8.445 -2.641 13.603 1.00 0.00 O
ATOM 69 C5' DG A 3 7.724 -1.417 13.496 1.00 0.00 C
ATOM 70 C4' DG A 3 6.299 -1.573 12.930 1.00 0.00 C
ATOM 71 O4' DG A 3 6.297 -2.321 11.708 1.00 0.00 O
ATOM 72 C3' DG A 3 5.327 -2.250 13.911 1.00 0.00 C
ATOM 73 O3' DG A 3 4.106 -1.515 13.956 1.00 0.00 O
ATOM 74 C2' DG A 3 5.247 -3.670 13.354 1.00 0.00 C
ATOM 75 C1' DG A 3 5.498 -3.492 11.854 1.00 0.00 C
ATOM 76 N9 DG A 3 6.185 -4.675 11.259 1.00 0.00 N
ATOM 77 C8 DG A 3 7.337 -5.296 11.689 1.00 0.00 C
ATOM 78 N7 DG A 3 7.660 -6.373 11.020 1.00 0.00 N
ATOM 79 C5 DG A 3 6.656 -6.465 10.046 1.00 0.00 C
ATOM 80 C6 DG A 3 6.445 -7.418 8.983 1.00 0.00 C
ATOM 81 O6 DG A 3 7.107 -8.414 8.684 1.00 0.00 O
ATOM 82 N1 DG A 3 5.343 -7.139 8.197 1.00 0.00 N
ATOM 83 C2 DG A 3 4.536 -6.067 8.394 1.00 0.00 C
ATOM 84 N2 DG A 3 3.564 -5.877 7.544 1.00 0.00 N
ATOM 85 N3 DG A 3 4.681 -5.177 9.369 1.00 0.00 N
ATOM 86 C4 DG A 3 5.762 -5.421 10.172 1.00 0.00 C
ATOM 87 H5' DG A 3 8.263 -0.737 12.837 1.00 0.00 H
ATOM 88 H5'' DG A 3 7.665 -0.942 14.476 1.00 0.00 H
ATOM 89 H4' DG A 3 5.925 -0.569 12.719 1.00 0.00 H
ATOM 90 H3' DG A 3 5.764 -2.277 14.911 1.00 0.00 H
ATOM 91 H2' DG A 3 6.017 -4.277 13.826 1.00 0.00 H
ATOM 92 H2'' DG A 3 4.273 -4.127 13.527 1.00 0.00 H
ATOM 93 H1' DG A 3 4.541 -3.326 11.355 1.00 0.00 H
ATOM 94 H8 DG A 3 7.928 -4.918 12.516 1.00 0.00 H
ATOM 95 H1 DG A 3 5.165 -7.755 7.426 1.00 0.00 H
ATOM 96 H21 DG A 3 3.407 -6.503 6.773 1.00 0.00 H
ATOM 97 H22 DG A 3 3.006 -5.034 7.651 1.00 0.00 H
ATOM 98 P DT A 4 2.837 -1.932 14.879 1.00 0.00 P
ATOM 99 OP1 DT A 4 2.109 -0.686 15.250 1.00 0.00 O
ATOM 100 OP2 DT A 4 3.291 -2.839 15.970 1.00 0.00 O
ATOM 101 O5' DT A 4 1.919 -2.777 13.851 1.00 0.00 O
ATOM 102 C5' DT A 4 1.433 -2.164 12.659 1.00 0.00 C
ATOM 103 C4' DT A 4 0.878 -3.166 11.638 1.00 0.00 C
ATOM 104 O4' DT A 4 1.857 -4.135 11.301 1.00 0.00 O
ATOM 105 C3' DT A 4 -0.357 -3.942 12.117 1.00 0.00 C
ATOM 106 O3' DT A 4 -1.537 -3.155 11.913 1.00 0.00 O
ATOM 107 C2' DT A 4 -0.243 -5.221 11.263 1.00 0.00 C
ATOM 108 C1' DT A 4 1.179 -5.213 10.688 1.00 0.00 C
ATOM 109 N1 DT A 4 1.899 -6.506 10.871 1.00 0.00 N
ATOM 110 C2 DT A 4 1.764 -7.476 9.869 1.00 0.00 C
ATOM 111 O2 DT A 4 0.982 -7.380 8.921 1.00 0.00 O
ATOM 112 N3 DT A 4 2.562 -8.595 9.973 1.00 0.00 N
ATOM 113 C4 DT A 4 3.460 -8.851 10.987 1.00 0.00 C
ATOM 114 O4 DT A 4 4.127 -9.886 10.938 1.00 0.00 O
ATOM 115 C5 DT A 4 3.505 -7.833 12.038 1.00 0.00 C
ATOM 116 C7 DT A 4 4.436 -8.002 13.227 1.00 0.00 C
ATOM 117 C6 DT A 4 2.726 -6.722 11.959 1.00 0.00 C
ATOM 118 H5' DT A 4 2.251 -1.622 12.183 1.00 0.00 H
ATOM 119 H5'' DT A 4 0.652 -1.443 12.907 1.00 0.00 H
ATOM 120 H4' DT A 4 0.605 -2.629 10.728 1.00 0.00 H
ATOM 121 H3' DT A 4 -0.244 -4.177 13.180 1.00 0.00 H
ATOM 122 H2' DT A 4 -0.423 -6.116 11.863 1.00 0.00 H
ATOM 123 H2'' DT A 4 -0.942 -5.201 10.429 1.00 0.00 H
ATOM 124 H1' DT A 4 1.111 -5.004 9.620 1.00 0.00 H
ATOM 125 H3 DT A 4 2.468 -9.291 9.255 1.00 0.00 H
ATOM 126 H71 DT A 4 5.464 -8.082 12.873 1.00 0.00 H
ATOM 127 H72 DT A 4 4.360 -7.156 13.912 1.00 0.00 H
ATOM 128 H73 DT A 4 4.182 -8.920 13.759 1.00 0.00 H
ATOM 129 H6 DT A 4 2.766 -5.982 12.746 1.00 0.00 H
ATOM 130 P DA A 5 -3.049 -3.746 11.993 1.00 0.00 P
ATOM 131 OP1 DA A 5 -3.979 -2.616 12.274 1.00 0.00 O
ATOM 132 OP2 DA A 5 -3.058 -4.903 12.933 1.00 0.00 O
ATOM 133 O5' DA A 5 -3.360 -4.321 10.498 1.00 0.00 O
ATOM 134 C5' DA A 5 -3.886 -3.534 9.420 1.00 0.00 C
ATOM 135 C4' DA A 5 -3.145 -2.220 9.068 1.00 0.00 C
ATOM 136 O4' DA A 5 -1.734 -2.399 9.072 1.00 0.00 O
ATOM 137 C3' DA A 5 -3.506 -1.689 7.651 1.00 0.00 C
ATOM 138 O3' DA A 5 -3.809 -0.290 7.597 1.00 0.00 O
ATOM 139 C2' DA A 5 -2.203 -1.939 6.877 1.00 0.00 C
ATOM 140 C1' DA A 5 -1.211 -1.655 7.999 1.00 0.00 C
ATOM 141 N9 DA A 5 0.203 -2.052 7.825 1.00 0.00 N
ATOM 142 C8 DA A 5 0.757 -3.135 7.181 1.00 0.00 C
ATOM 143 N7 DA A 5 2.012 -3.346 7.494 1.00 0.00 N
ATOM 144 C5 DA A 5 2.332 -2.257 8.323 1.00 0.00 C
ATOM 145 C6 DA A 5 3.493 -1.779 8.994 1.00 0.00 C
ATOM 146 N6 DA A 5 4.691 -2.320 8.997 1.00 0.00 N
ATOM 147 N1 DA A 5 3.458 -0.697 9.763 1.00 0.00 N
ATOM 148 C2 DA A 5 2.315 -0.047 9.864 1.00 0.00 C
ATOM 149 N3 DA A 5 1.159 -0.332 9.277 1.00 0.00 N
ATOM 150 C4 DA A 5 1.237 -1.457 8.510 1.00 0.00 C
ATOM 151 H5' DA A 5 -4.923 -3.280 9.643 1.00 0.00 H
ATOM 152 H5'' DA A 5 -3.891 -4.176 8.537 1.00 0.00 H
ATOM 153 H4' DA A 5 -3.407 -1.464 9.810 1.00 0.00 H
ATOM 154 H3' DA A 5 -4.326 -2.253 7.204 1.00 0.00 H
ATOM 155 H2' DA A 5 -2.149 -2.980 6.554 1.00 0.00 H
ATOM 156 H2'' DA A 5 -2.080 -1.259 6.035 1.00 0.00 H
ATOM 157 H1' DA A 5 -1.254 -0.588 8.242 1.00 0.00 H
ATOM 158 H8 DA A 5 0.195 -3.783 6.511 1.00 0.00 H
ATOM 159 H61 DA A 5 5.351 -1.929 9.646 1.00 0.00 H
ATOM 160 H62 DA A 5 4.785 -3.263 8.644 1.00 0.00 H
ATOM 161 H2 DA A 5 2.323 0.816 10.511 1.00 0.00 H
ATOM 162 P DG A 6 -5.109 0.357 8.332 1.00 0.00 P
ATOM 163 OP1 DG A 6 -5.961 -0.738 8.871 1.00 0.00 O
ATOM 164 OP2 DG A 6 -5.728 1.325 7.385 1.00 0.00 O
ATOM 165 O5' DG A 6 -4.497 1.182 9.596 1.00 0.00 O
ATOM 166 C5' DG A 6 -4.117 2.553 9.476 1.00 0.00 C
ATOM 167 C4' DG A 6 -3.359 3.092 10.708 1.00 0.00 C
ATOM 168 O4' DG A 6 -2.013 2.599 10.720 1.00 0.00 O
ATOM 169 C3' DG A 6 -3.254 4.633 10.678 1.00 0.00 C
ATOM 170 O3' DG A 6 -3.206 5.138 12.019 1.00 0.00 O
ATOM 171 C2' DG A 6 -1.947 4.799 9.900 1.00 0.00 C
ATOM 172 C1' DG A 6 -1.117 3.695 10.547 1.00 0.00 C
ATOM 173 N9 DG A 6 0.089 3.370 9.742 1.00 0.00 N
ATOM 174 C8 DG A 6 1.399 3.651 10.053 1.00 0.00 C
ATOM 175 N7 DG A 6 2.267 3.245 9.162 1.00 0.00 N
ATOM 176 C5 DG A 6 1.459 2.698 8.157 1.00 0.00 C
ATOM 177 C6 DG A 6 1.802 2.110 6.890 1.00 0.00 C
ATOM 178 O6 DG A 6 2.920 1.910 6.422 1.00 0.00 O
ATOM 179 N1 DG A 6 0.711 1.757 6.123 1.00 0.00 N
ATOM 180 C2 DG A 6 -0.568 1.873 6.553 1.00 0.00 C
ATOM 181 N2 DG A 6 -1.521 1.446 5.768 1.00 0.00 N
ATOM 182 N3 DG A 6 -0.933 2.378 7.724 1.00 0.00 N
ATOM 183 C4 DG A 6 0.126 2.787 8.490 1.00 0.00 C
ATOM 184 H5' DG A 6 -5.018 3.151 9.330 1.00 0.00 H
ATOM 185 H5'' DG A 6 -3.487 2.676 8.594 1.00 0.00 H
ATOM 186 H4' DG A 6 -3.890 2.781 11.611 1.00 0.00 H
ATOM 187 H3' DG A 6 -4.094 5.079 10.140 1.00 0.00 H
ATOM 188 H2' DG A 6 -2.101 4.599 8.839 1.00 0.00 H
ATOM 189 H2'' DG A 6 -1.492 5.778 10.021 1.00 0.00 H
ATOM 190 H1' DG A 6 -0.801 4.051 11.531 1.00 0.00 H
ATOM 191 H8 DG A 6 1.675 4.172 10.965 1.00 0.00 H
ATOM 192 H1 DG A 6 0.893 1.391 5.204 1.00 0.00 H
ATOM 193 H21 DG A 6 -1.336 1.086 4.841 1.00 0.00 H
ATOM 194 H22 DG A 6 -2.459 1.463 6.134 1.00 0.00 H
ATOM 195 P DG A 7 -2.904 6.691 12.378 1.00 0.00 P
ATOM 196 OP1 DG A 7 -3.322 6.922 13.786 1.00 0.00 O
ATOM 197 OP2 DG A 7 -3.486 7.548 11.309 1.00 0.00 O
ATOM 198 O5' DG A 7 -1.283 6.759 12.323 1.00 0.00 O
ATOM 199 C5' DG A 7 -0.579 7.925 11.907 1.00 0.00 C
ATOM 200 C4' DG A 7 0.927 7.644 11.768 1.00 0.00 C
ATOM 201 O4' DG A 7 1.150 6.675 10.743 1.00 0.00 O
ATOM 202 C3' DG A 7 1.709 8.912 11.377 1.00 0.00 C
ATOM 203 O3' DG A 7 2.913 8.992 12.141 1.00 0.00 O
ATOM 204 C2' DG A 7 1.956 8.697 9.883 1.00 0.00 C
ATOM 205 C1' DG A 7 2.094 7.180 9.812 1.00 0.00 C
ATOM 206 N9 DG A 7 1.831 6.633 8.459 1.00 0.00 N
ATOM 207 C8 DG A 7 0.634 6.562 7.784 1.00 0.00 C
ATOM 208 N7 DG A 7 0.698 5.949 6.629 1.00 0.00 N
ATOM 209 C5 DG A 7 2.053 5.614 6.523 1.00 0.00 C
ATOM 210 C6 DG A 7 2.768 4.920 5.491 1.00 0.00 C
ATOM 211 O6 DG A 7 2.326 4.458 4.442 1.00 0.00 O
ATOM 212 N1 DG A 7 4.111 4.754 5.754 1.00 0.00 N
ATOM 213 C2 DG A 7 4.706 5.199 6.886 1.00 0.00 C
ATOM 214 N2 DG A 7 5.980 4.953 7.035 1.00 0.00 N
ATOM 215 N3 DG A 7 4.092 5.857 7.867 1.00 0.00 N
ATOM 216 C4 DG A 7 2.756 6.033 7.632 1.00 0.00 C
ATOM 217 H5' DG A 7 -0.731 8.720 12.640 1.00 0.00 H
ATOM 218 H5'' DG A 7 -0.958 8.263 10.941 1.00 0.00 H
ATOM 219 H4' DG A 7 1.303 7.268 12.721 1.00 0.00 H
ATOM 220 H3' DG A 7 1.095 9.801 11.540 1.00 0.00 H
ATOM 221 H2' DG A 7 1.089 9.032 9.311 1.00 0.00 H
ATOM 222 H2'' DG A 7 2.859 9.194 9.531 1.00 0.00 H
ATOM 223 H1' DG A 7 3.104 6.904 10.129 1.00 0.00 H
ATOM 224 H8 DG A 7 -0.284 6.964 8.196 1.00 0.00 H
ATOM 225 H1 DG A 7 4.644 4.233 5.075 1.00 0.00 H
ATOM 226 H21 DG A 7 6.504 4.410 6.358 1.00 0.00 H
ATOM 227 H22 DG A 7 6.425 5.303 7.866 1.00 0.00 H
ATOM 228 P DG A 8 3.809 10.342 12.225 1.00 0.00 P
ATOM 229 OP1 DG A 8 4.624 10.263 13.469 1.00 0.00 O
ATOM 230 OP2 DG A 8 2.916 11.519 12.046 1.00 0.00 O
ATOM 231 O5' DG A 8 4.804 10.270 10.948 1.00 0.00 O
ATOM 232 C5' DG A 8 6.004 9.498 10.966 1.00 0.00 C
ATOM 233 C4' DG A 8 6.778 9.520 9.633 1.00 0.00 C
ATOM 234 O4' DG A 8 6.125 8.714 8.651 1.00 0.00 O
ATOM 235 C3' DG A 8 6.934 10.939 9.040 1.00 0.00 C
ATOM 236 O3' DG A 8 8.249 11.094 8.485 1.00 0.00 O
ATOM 237 C2' DG A 8 5.859 10.907 7.952 1.00 0.00 C
ATOM 238 C1' DG A 8 6.098 9.481 7.461 1.00 0.00 C
ATOM 239 N9 DG A 8 5.150 8.954 6.456 1.00 0.00 N
ATOM 240 C8 DG A 8 3.790 9.126 6.347 1.00 0.00 C
ATOM 241 N7 DG A 8 3.252 8.525 5.316 1.00 0.00 N
ATOM 242 C5 DG A 8 4.350 7.935 4.678 1.00 0.00 C
ATOM 243 C6 DG A 8 4.438 7.137 3.485 1.00 0.00 C
ATOM 244 O6 DG A 8 3.538 6.806 2.719 1.00 0.00 O
ATOM 245 N1 DG A 8 5.707 6.690 3.203 1.00 0.00 N
ATOM 246 C2 DG A 8 6.806 7.078 3.890 1.00 0.00 C
ATOM 247 N2 DG A 8 7.958 6.704 3.401 1.00 0.00 N
ATOM 248 N3 DG A 8 6.783 7.814 5.002 1.00 0.00 N
ATOM 249 C4 DG A 8 5.517 8.203 5.359 1.00 0.00 C
ATOM 250 H5' DG A 8 5.768 8.461 11.215 1.00 0.00 H
ATOM 251 H5'' DG A 8 6.664 9.888 11.743 1.00 0.00 H
ATOM 252 H4' DG A 8 7.772 9.107 9.818 1.00 0.00 H
ATOM 253 H3' DG A 8 6.723 11.704 9.790 1.00 0.00 H
ATOM 254 H2' DG A 8 4.865 11.011 8.387 1.00 0.00 H
ATOM 255 H2'' DG A 8 6.019 11.663 7.192 1.00 0.00 H
ATOM 256 H1' DG A 8 7.091 9.458 7.004 1.00 0.00 H
ATOM 257 H8 DG A 8 3.218 9.696 7.070 1.00 0.00 H
ATOM 258 H1 DG A 8 5.819 6.171 2.348 1.00 0.00 H
ATOM 259 H21 DG A 8 8.009 6.075 2.614 1.00 0.00 H
ATOM 260 H22 DG A 8 8.795 7.190 3.720 1.00 0.00 H
ATOM 261 P DC A 9 8.892 12.536 8.110 1.00 0.00 P
ATOM 262 OP1 DC A 9 10.342 12.318 7.857 1.00 0.00 O
ATOM 263 OP2 DC A 9 8.516 13.496 9.186 1.00 0.00 O
ATOM 264 O5' DC A 9 8.203 13.066 6.732 1.00 0.00 O
ATOM 265 C5' DC A 9 8.706 12.778 5.421 1.00 0.00 C
ATOM 266 C4' DC A 9 8.327 11.393 4.843 1.00 0.00 C
ATOM 267 O4' DC A 9 6.930 11.144 4.996 1.00 0.00 O
ATOM 268 C3' DC A 9 8.598 11.353 3.326 1.00 0.00 C
ATOM 269 O3' DC A 9 8.850 10.038 2.836 1.00 0.00 O
ATOM 270 C2' DC A 9 7.259 11.857 2.774 1.00 0.00 C
ATOM 271 C1' DC A 9 6.237 11.296 3.766 1.00 0.00 C
ATOM 272 N1 DC A 9 5.029 12.156 3.932 1.00 0.00 N
ATOM 273 C2 DC A 9 3.818 11.794 3.310 1.00 0.00 C
ATOM 274 O2 DC A 9 3.698 10.750 2.663 1.00 0.00 O
ATOM 275 N3 DC A 9 2.725 12.597 3.401 1.00 0.00 N
ATOM 276 C4 DC A 9 2.819 13.700 4.111 1.00 0.00 C
ATOM 277 N4 DC A 9 1.752 14.447 4.165 1.00 0.00 N
ATOM 278 C5 DC A 9 3.999 14.105 4.793 1.00 0.00 C
ATOM 279 C6 DC A 9 5.090 13.308 4.678 1.00 0.00 C
ATOM 280 H5' DC A 9 9.793 12.889 5.405 1.00 0.00 H
ATOM 281 H5'' DC A 9 8.312 13.541 4.750 1.00 0.00 H
ATOM 282 H4' DC A 9 8.906 10.617 5.351 1.00 0.00 H
ATOM 283 H3' DC A 9 9.400 12.036 3.040 1.00 0.00 H
ATOM 284 H2' DC A 9 7.243 12.948 2.776 1.00 0.00 H
ATOM 285 H2'' DC A 9 7.074 11.492 1.763 1.00 0.00 H
ATOM 286 H1' DC A 9 5.924 10.305 3.424 1.00 0.00 H
ATOM 287 H41 DC A 9 0.950 14.180 3.603 1.00 0.00 H
ATOM 288 H42 DC A 9 1.772 15.309 4.680 1.00 0.00 H
ATOM 289 H5 DC A 9 4.052 15.010 5.380 1.00 0.00 H
ATOM 290 H6 DC A 9 6.015 13.568 5.181 1.00 0.00 H
ATOM 291 P DA A 10 10.332 9.383 2.716 1.00 0.00 P
ATOM 292 OP1 DA A 10 10.387 8.216 3.640 1.00 0.00 O
ATOM 293 OP2 DA A 10 11.370 10.446 2.826 1.00 0.00 O
ATOM 294 O5' DA A 10 10.296 8.864 1.169 1.00 0.00 O
ATOM 295 C5' DA A 10 10.963 7.680 0.727 1.00 0.00 C
ATOM 296 C4' DA A 10 10.425 7.099 -0.606 1.00 0.00 C
ATOM 297 O4' DA A 10 9.044 6.756 -0.493 1.00 0.00 O
ATOM 298 C3' DA A 10 10.547 8.060 -1.805 1.00 0.00 C
ATOM 299 O3' DA A 10 10.819 7.403 -3.045 1.00 0.00 O
ATOM 300 C2' DA A 10 9.151 8.675 -1.867 1.00 0.00 C
ATOM 301 C1' DA A 10 8.257 7.527 -1.392 1.00 0.00 C
ATOM 302 N9 DA A 10 7.056 8.022 -0.683 1.00 0.00 N
ATOM 303 C8 DA A 10 7.028 8.643 0.536 1.00 0.00 C
ATOM 304 N7 DA A 10 5.846 9.021 0.939 1.00 0.00 N
ATOM 305 C5 DA A 10 5.018 8.589 -0.106 1.00 0.00 C
ATOM 306 C6 DA A 10 3.627 8.655 -0.362 1.00 0.00 C
ATOM 307 N6 DA A 10 2.738 9.228 0.428 1.00 0.00 N
ATOM 308 N1 DA A 10 3.110 8.179 -1.494 1.00 0.00 N
ATOM 309 C2 DA A 10 3.937 7.619 -2.365 1.00 0.00 C
ATOM 310 N3 DA A 10 5.259 7.479 -2.276 1.00 0.00 N
ATOM 311 C4 DA A 10 5.743 7.985 -1.103 1.00 0.00 C
ATOM 312 H5' DA A 10 10.867 6.902 1.485 1.00 0.00 H
ATOM 313 H5'' DA A 10 12.026 7.899 0.615 1.00 0.00 H
ATOM 314 H4' DA A 10 10.987 6.189 -0.814 1.00 0.00 H
ATOM 315 H3' DA A 10 11.290 8.836 -1.610 1.00 0.00 H
ATOM 316 H2' DA A 10 9.095 9.523 -1.183 1.00 0.00 H
ATOM 317 H2'' DA A 10 8.888 8.995 -2.877 1.00 0.00 H
ATOM 318 H1' DA A 10 7.968 6.914 -2.252 1.00 0.00 H
ATOM 319 H8 DA A 10 7.933 8.797 1.097 1.00 0.00 H
ATOM 320 H61 DA A 10 1.775 9.217 0.153 1.00 0.00 H
ATOM 321 H62 DA A 10 3.066 9.677 1.283 1.00 0.00 H
ATOM 322 H2 DA A 10 3.480 7.239 -3.269 1.00 0.00 H
ATOM 323 P DG A 11 12.281 6.805 -3.421 1.00 0.00 P
ATOM 324 OP1 DG A 11 13.318 7.691 -2.828 1.00 0.00 O
ATOM 325 OP2 DG A 11 12.310 6.580 -4.891 1.00 0.00 O
ATOM 326 O5' DG A 11 12.393 5.360 -2.690 1.00 0.00 O
ATOM 327 C5' DG A 11 11.506 4.288 -3.005 1.00 0.00 C
ATOM 328 C4' DG A 11 11.909 2.976 -2.305 1.00 0.00 C
ATOM 329 O4' DG A 11 11.943 3.119 -0.888 1.00 0.00 O
ATOM 330 C3' DG A 11 10.954 1.818 -2.653 1.00 0.00 C
ATOM 331 O3' DG A 11 11.570 0.847 -3.495 1.00 0.00 O
ATOM 332 C2' DG A 11 10.583 1.228 -1.293 1.00 0.00 C
ATOM 333 C1' DG A 11 10.936 2.326 -0.282 1.00 0.00 C
ATOM 334 N9 DG A 11 9.807 3.182 0.187 1.00 0.00 N
ATOM 335 C8 DG A 11 9.680 3.684 1.460 1.00 0.00 C
ATOM 336 N7 DG A 11 8.569 4.328 1.689 1.00 0.00 N
ATOM 337 C5 DG A 11 7.892 4.243 0.467 1.00 0.00 C
ATOM 338 C6 DG A 11 6.595 4.728 0.075 1.00 0.00 C
ATOM 339 O6 DG A 11 5.771 5.349 0.743 1.00 0.00 O
ATOM 340 N1 DG A 11 6.261 4.444 -1.229 1.00 0.00 N
ATOM 341 C2 DG A 11 7.076 3.789 -2.083 1.00 0.00 C
ATOM 342 N2 DG A 11 6.636 3.571 -3.299 1.00 0.00 N
ATOM 343 N3 DG A 11 8.291 3.343 -1.775 1.00 0.00 N
ATOM 344 C4 DG A 11 8.652 3.578 -0.474 1.00 0.00 C
ATOM 345 H5' DG A 11 11.508 4.114 -4.082 1.00 0.00 H
ATOM 346 H5'' DG A 11 10.494 4.558 -2.705 1.00 0.00 H
ATOM 347 H4' DG A 11 12.912 2.711 -2.645 1.00 0.00 H
ATOM 348 H3' DG A 11 10.068 2.230 -3.134 1.00 0.00 H
ATOM 349 H2' DG A 11 9.529 0.957 -1.256 1.00 0.00 H
ATOM 350 H2'' DG A 11 11.193 0.348 -1.086 1.00 0.00 H
ATOM 351 H1' DG A 11 11.353 1.841 0.605 1.00 0.00 H
ATOM 352 H8 DG A 11 10.438 3.516 2.218 1.00 0.00 H
ATOM 353 H1 DG A 11 5.333 4.689 -1.529 1.00 0.00 H
ATOM 354 H21 DG A 11 5.691 3.808 -3.583 1.00 0.00 H
ATOM 355 H22 DG A 11 7.235 3.048 -3.914 1.00 0.00 H
ATOM 356 P DG A 12 10.696 -0.110 -4.479 1.00 0.00 P
ATOM 357 OP1 DG A 12 11.671 -0.755 -5.404 1.00 0.00 O
ATOM 358 OP2 DG A 12 9.610 0.716 -5.078 1.00 0.00 O
ATOM 359 O5' DG A 12 10.011 -1.259 -3.537 1.00 0.00 O
ATOM 360 C5' DG A 12 10.747 -2.400 -3.095 1.00 0.00 C
ATOM 361 C4' DG A 12 9.907 -3.537 -2.475 1.00 0.00 C
ATOM 362 O4' DG A 12 9.276 -3.179 -1.254 1.00 0.00 O
ATOM 363 C3' DG A 12 8.766 -4.070 -3.347 1.00 0.00 C
ATOM 364 O3' DG A 12 9.212 -4.872 -4.437 1.00 0.00 O
ATOM 365 C2' DG A 12 8.000 -4.890 -2.312 1.00 0.00 C
ATOM 366 C1' DG A 12 8.212 -4.099 -1.010 1.00 0.00 C
ATOM 367 N9 DG A 12 7.040 -3.333 -0.504 1.00 0.00 N
ATOM 368 C8 DG A 12 5.879 -2.924 -1.126 1.00 0.00 C
ATOM 369 N7 DG A 12 5.095 -2.193 -0.377 1.00 0.00 N
ATOM 370 C5 DG A 12 5.777 -2.123 0.841 1.00 0.00 C
ATOM 371 C6 DG A 12 5.472 -1.431 2.066 1.00 0.00 C
ATOM 372 O6 DG A 12 4.527 -0.682 2.298 1.00 0.00 O
ATOM 373 N1 DG A 12 6.389 -1.654 3.074 1.00 0.00 N
ATOM 374 C2 DG A 12 7.479 -2.445 2.922 1.00 0.00 C
ATOM 375 N2 DG A 12 8.242 -2.644 3.955 1.00 0.00 N
ATOM 376 N3 DG A 12 7.818 -3.080 1.806 1.00 0.00 N
ATOM 377 C4 DG A 12 6.933 -2.867 0.787 1.00 0.00 C
ATOM 378 H5' DG A 12 11.498 -2.083 -2.368 1.00 0.00 H
ATOM 379 H5'' DG A 12 11.275 -2.829 -3.948 1.00 0.00 H
ATOM 380 H4' DG A 12 10.587 -4.370 -2.272 1.00 0.00 H
ATOM 381 H3' DG A 12 8.158 -3.226 -3.681 1.00 0.00 H
ATOM 382 H2' DG A 12 6.956 -5.023 -2.584 1.00 0.00 H
ATOM 383 H2'' DG A 12 8.462 -5.873 -2.204 1.00 0.00 H
ATOM 384 H1' DG A 12 8.515 -4.799 -0.227 1.00 0.00 H
ATOM 385 H8 DG A 12 5.642 -3.159 -2.155 1.00 0.00 H
ATOM 386 H1 DG A 12 6.265 -1.138 3.932 1.00 0.00 H
ATOM 387 H21 DG A 12 8.054 -2.181 4.835 1.00 0.00 H
ATOM 388 H22 DG A 12 9.057 -3.219 3.833 1.00 0.00 H
ATOM 389 P DG A 13 8.460 -4.794 -5.870 1.00 0.00 P
ATOM 390 OP1 DG A 13 7.030 -5.161 -5.678 1.00 0.00 O
ATOM 391 OP2 DG A 13 9.271 -5.567 -6.852 1.00 0.00 O
ATOM 392 O5' DG A 13 8.623 -3.213 -6.210 1.00 0.00 O
ATOM 393 C5' DG A 13 7.730 -2.459 -7.024 1.00 0.00 C
ATOM 394 C4' DG A 13 6.303 -2.229 -6.470 1.00 0.00 C
ATOM 395 O4' DG A 13 6.228 -1.907 -5.083 1.00 0.00 O
ATOM 396 C3' DG A 13 5.619 -1.080 -7.236 1.00 0.00 C
ATOM 397 O3' DG A 13 4.535 -1.565 -8.025 1.00 0.00 O
ATOM 398 C2' DG A 13 5.228 -0.094 -6.131 1.00 0.00 C
ATOM 399 C1' DG A 13 5.161 -0.986 -4.895 1.00 0.00 C
ATOM 400 N9 DG A 13 5.368 -0.242 -3.624 1.00 0.00 N
ATOM 401 C8 DG A 13 6.554 -0.041 -2.953 1.00 0.00 C
ATOM 402 N7 DG A 13 6.430 0.554 -1.796 1.00 0.00 N
ATOM 403 C5 DG A 13 5.058 0.810 -1.717 1.00 0.00 C
ATOM 404 C6 DG A 13 4.291 1.462 -0.693 1.00 0.00 C
ATOM 405 O6 DG A 13 4.687 1.943 0.366 1.00 0.00 O
ATOM 406 N1 DG A 13 2.945 1.538 -0.971 1.00 0.00 N
ATOM 407 C2 DG A 13 2.381 1.041 -2.099 1.00 0.00 C
ATOM 408 N2 DG A 13 1.088 1.203 -2.243 1.00 0.00 N
ATOM 409 N3 DG A 13 3.050 0.431 -3.081 1.00 0.00 N
ATOM 410 C4 DG A 13 4.396 0.340 -2.832 1.00 0.00 C
ATOM 411 H5' DG A 13 7.644 -2.932 -8.003 1.00 0.00 H
ATOM 412 H5'' DG A 13 8.188 -1.480 -7.175 1.00 0.00 H
ATOM 413 H4' DG A 13 5.722 -3.137 -6.640 1.00 0.00 H
ATOM 414 H3' DG A 13 6.355 -0.590 -7.871 1.00 0.00 H
ATOM 415 H2' DG A 13 6.005 0.661 -6.012 1.00 0.00 H
ATOM 416 H2'' DG A 13 4.262 0.370 -6.329 1.00 0.00 H
ATOM 417 H1' DG A 13 4.194 -1.500 -4.883 1.00 0.00 H
ATOM 418 H8 DG A 13 7.506 -0.378 -3.350 1.00 0.00 H
ATOM 419 H1 DG A 13 2.375 2.012 -0.289 1.00 0.00 H
ATOM 420 H21 DG A 13 0.531 1.639 -1.520 1.00 0.00 H
ATOM 421 H22 DG A 13 0.674 0.761 -3.053 1.00 0.00 H
ATOM 422 P DG A 14 4.208 -0.961 -9.502 1.00 0.00 P
ATOM 423 OP1 DG A 14 3.554 -2.037 -10.298 1.00 0.00 O
ATOM 424 OP2 DG A 14 5.439 -0.336 -10.062 1.00 0.00 O
ATOM 425 O5' DG A 14 3.137 0.224 -9.232 1.00 0.00 O
ATOM 426 C5' DG A 14 1.745 -0.057 -9.113 1.00 0.00 C
ATOM 427 C4' DG A 14 0.870 1.183 -8.839 1.00 0.00 C
ATOM 428 O4' DG A 14 1.060 1.605 -7.489 1.00 0.00 O
ATOM 429 C3' DG A 14 1.204 2.373 -9.766 1.00 0.00 C
ATOM 430 O3' DG A 14 0.053 3.104 -10.187 1.00 0.00 O
ATOM 431 C2' DG A 14 2.054 3.250 -8.850 1.00 0.00 C
ATOM 432 C1' DG A 14 1.420 2.975 -7.485 1.00 0.00 C
ATOM 433 N9 DG A 14 2.287 3.274 -6.318 1.00 0.00 N
ATOM 434 C8 DG A 14 3.653 3.163 -6.178 1.00 0.00 C
ATOM 435 N7 DG A 14 4.109 3.485 -4.993 1.00 0.00 N
ATOM 436 C5 DG A 14 2.948 3.850 -4.298 1.00 0.00 C
ATOM 437 C6 DG A 14 2.760 4.314 -2.952 1.00 0.00 C
ATOM 438 O6 DG A 14 3.606 4.475 -2.077 1.00 0.00 O
ATOM 439 N1 DG A 14 1.453 4.620 -2.642 1.00 0.00 N
ATOM 440 C2 DG A 14 0.428 4.502 -3.521 1.00 0.00 C
ATOM 441 N2 DG A 14 -0.758 4.888 -3.133 1.00 0.00 N
ATOM 442 N3 DG A 14 0.547 4.073 -4.775 1.00 0.00 N
ATOM 443 C4 DG A 14 1.837 3.750 -5.106 1.00 0.00 C
ATOM 444 H5' DG A 14 1.591 -0.774 -8.308 1.00 0.00 H
ATOM 445 H5'' DG A 14 1.414 -0.532 -10.035 1.00 0.00 H
ATOM 446 H4' DG A 14 -0.179 0.913 -8.971 1.00 0.00 H
ATOM 447 H3' DG A 14 1.794 2.051 -10.628 1.00 0.00 H
ATOM 448 H2' DG A 14 3.089 2.914 -8.882 1.00 0.00 H
ATOM 449 H2'' DG A 14 1.990 4.306 -9.117 1.00 0.00 H
ATOM 450 H1' DG A 14 0.507 3.572 -7.409 1.00 0.00 H
ATOM 451 H8 DG A 14 4.293 2.818 -6.983 1.00 0.00 H
ATOM 452 H1 DG A 14 1.284 4.991 -1.720 1.00 0.00 H
ATOM 453 H21 DG A 14 -0.919 5.251 -2.200 1.00 0.00 H
ATOM 454 H22 DG A 14 -1.500 4.866 -3.811 1.00 0.00 H
ATOM 455 P DA A 15 -0.746 2.751 -11.555 1.00 0.00 P
ATOM 456 OP1 DA A 15 0.241 2.628 -12.663 1.00 0.00 O
ATOM 457 OP2 DA A 15 -1.830 3.760 -11.692 1.00 0.00 O
ATOM 458 O5' DA A 15 -1.457 1.315 -11.300 1.00 0.00 O
ATOM 459 C5' DA A 15 -0.887 0.087 -11.756 1.00 0.00 C
ATOM 460 C4' DA A 15 -1.563 -1.171 -11.165 1.00 0.00 C
ATOM 461 O4' DA A 15 -1.450 -1.182 -9.740 1.00 0.00 O
ATOM 462 C3' DA A 15 -3.061 -1.223 -11.526 1.00 0.00 C
ATOM 463 O3' DA A 15 -3.554 -2.523 -11.843 1.00 0.00 O
ATOM 464 C2' DA A 15 -3.693 -0.707 -10.238 1.00 0.00 C
ATOM 465 C1' DA A 15 -2.743 -1.216 -9.145 1.00 0.00 C
ATOM 466 N9 DA A 15 -2.794 -0.405 -7.890 1.00 0.00 N
ATOM 467 C8 DA A 15 -3.705 0.568 -7.531 1.00 0.00 C
ATOM 468 N7 DA A 15 -3.428 1.197 -6.419 1.00 0.00 N
ATOM 469 C5 DA A 15 -2.300 0.511 -5.949 1.00 0.00 C
ATOM 470 C6 DA A 15 -1.505 0.601 -4.778 1.00 0.00 C
ATOM 471 N6 DA A 15 -1.689 1.498 -3.823 1.00 0.00 N
ATOM 472 N1 DA A 15 -0.516 -0.259 -4.534 1.00 0.00 N
ATOM 473 C2 DA A 15 -0.296 -1.205 -5.445 1.00 0.00 C
ATOM 474 N3 DA A 15 -0.933 -1.405 -6.596 1.00 0.00 N
ATOM 475 C4 DA A 15 -1.935 -0.500 -6.804 1.00 0.00 C
ATOM 476 H5' DA A 15 0.172 0.063 -11.514 1.00 0.00 H
ATOM 477 H5'' DA A 15 -0.968 0.041 -12.843 1.00 0.00 H
ATOM 478 H4' DA A 15 -1.061 -2.050 -11.573 1.00 0.00 H
ATOM 479 H3' DA A 15 -3.276 -0.551 -12.362 1.00 0.00 H
ATOM 480 H2' DA A 15 -3.703 0.384 -10.263 1.00 0.00 H
ATOM 481 H2'' DA A 15 -4.702 -1.089 -10.108 1.00 0.00 H
ATOM 482 H1' DA A 15 -2.997 -2.254 -8.910 1.00 0.00 H
ATOM 483 H8 DA A 15 -4.570 0.817 -8.133 1.00 0.00 H
ATOM 484 H61 DA A 15 -1.080 1.503 -3.025 1.00 0.00 H
ATOM 485 H62 DA A 15 -2.413 2.186 -3.957 1.00 0.00 H
ATOM 486 H2 DA A 15 0.484 -1.926 -5.226 1.00 0.00 H
ATOM 487 P DC A 16 -3.123 -3.290 -13.211 1.00 0.00 P
ATOM 488 OP1 DC A 16 -2.314 -2.370 -14.055 1.00 0.00 O
ATOM 489 OP2 DC A 16 -4.346 -3.899 -13.807 1.00 0.00 O
ATOM 490 O5' DC A 16 -2.136 -4.469 -12.698 1.00 0.00 O
ATOM 491 C5' DC A 16 -2.653 -5.682 -12.159 1.00 0.00 C
ATOM 492 C4' DC A 16 -1.594 -6.686 -11.661 1.00 0.00 C
ATOM 493 O4' DC A 16 -0.687 -7.041 -12.713 1.00 0.00 O
ATOM 494 C3' DC A 16 -0.751 -6.148 -10.487 1.00 0.00 C
ATOM 495 O3' DC A 16 -0.496 -7.205 -9.559 1.00 0.00 O
ATOM 496 C2' DC A 16 0.511 -5.668 -11.204 1.00 0.00 C
ATOM 497 C1' DC A 16 0.642 -6.684 -12.341 1.00 0.00 C
ATOM 498 N1 DC A 16 1.414 -6.157 -13.507 1.00 0.00 N
ATOM 499 C2 DC A 16 2.654 -6.736 -13.830 1.00 0.00 C
ATOM 500 O2 DC A 16 3.120 -7.688 -13.194 1.00 0.00 O
ATOM 501 N3 DC A 16 3.393 -6.263 -14.868 1.00 0.00 N
ATOM 502 C4 DC A 16 2.919 -5.248 -15.560 1.00 0.00 C
ATOM 503 N4 DC A 16 3.671 -4.836 -16.544 1.00 0.00 N
ATOM 504 C5 DC A 16 1.672 -4.620 -15.289 1.00 0.00 C
ATOM 505 C6 DC A 16 0.943 -5.102 -14.251 1.00 0.00 C
ATOM 506 H5' DC A 16 -3.256 -6.183 -12.918 1.00 0.00 H
ATOM 507 H5'' DC A 16 -3.307 -5.441 -11.323 1.00 0.00 H
ATOM 508 H4' DC A 16 -2.145 -7.574 -11.333 1.00 0.00 H
ATOM 509 H3' DC A 16 -1.262 -5.318 -9.992 1.00 0.00 H
ATOM 510 H2' DC A 16 0.353 -4.661 -11.588 1.00 0.00 H
ATOM 511 H2'' DC A 16 1.389 -5.684 -10.561 1.00 0.00 H
ATOM 512 H1' DC A 16 1.155 -7.564 -11.934 1.00 0.00 H
ATOM 513 H41 DC A 16 4.547 -5.310 -16.698 1.00 0.00 H
ATOM 514 H42 DC A 16 3.369 -4.062 -17.113 1.00 0.00 H
ATOM 515 H5 DC A 16 1.298 -3.791 -15.872 1.00 0.00 H
ATOM 516 H6 DC A 16 -0.019 -4.666 -14.002 1.00 0.00 H
ATOM 517 P DA A 17 -0.079 -6.932 -8.011 1.00 0.00 P
ATOM 518 OP1 DA A 17 1.078 -5.994 -7.982 1.00 0.00 O
ATOM 519 OP2 DA A 17 0.071 -8.264 -7.365 1.00 0.00 O
ATOM 520 O5' DA A 17 -1.390 -6.215 -7.368 1.00 0.00 O
ATOM 521 C5' DA A 17 -1.283 -5.271 -6.301 1.00 0.00 C
ATOM 522 C4' DA A 17 -2.636 -4.745 -5.779 1.00 0.00 C
ATOM 523 O4' DA A 17 -3.332 -4.065 -6.832 1.00 0.00 O
ATOM 524 C3' DA A 17 -3.550 -5.865 -5.229 1.00 0.00 C
ATOM 525 O3' DA A 17 -4.265 -5.456 -4.058 1.00 0.00 O
ATOM 526 C2' DA A 17 -4.478 -6.055 -6.423 1.00 0.00 C
ATOM 527 C1' DA A 17 -4.631 -4.621 -6.920 1.00 0.00 C
ATOM 528 N9 DA A 17 -5.205 -4.536 -8.286 1.00 0.00 N
ATOM 529 C8 DA A 17 -5.217 -5.489 -9.282 1.00 0.00 C
ATOM 530 N7 DA A 17 -5.911 -5.162 -10.342 1.00 0.00 N
ATOM 531 C5 DA A 17 -6.402 -3.886 -10.012 1.00 0.00 C
ATOM 532 C6 DA A 17 -7.235 -2.932 -10.653 1.00 0.00 C
ATOM 533 N6 DA A 17 -7.759 -3.057 -11.860 1.00 0.00 N
ATOM 534 N1 DA A 17 -7.600 -1.802 -10.041 1.00 0.00 N
ATOM 535 C2 DA A 17 -7.140 -1.585 -8.814 1.00 0.00 C
ATOM 536 N3 DA A 17 -6.335 -2.361 -8.094 1.00 0.00 N
ATOM 537 C4 DA A 17 -5.995 -3.509 -8.757 1.00 0.00 C
ATOM 538 H5' DA A 17 -0.693 -4.415 -6.634 1.00 0.00 H
ATOM 539 H5'' DA A 17 -0.755 -5.734 -5.467 1.00 0.00 H
ATOM 540 H4' DA A 17 -2.427 -4.041 -4.975 1.00 0.00 H
ATOM 541 H3' DA A 17 -2.973 -6.770 -5.035 1.00 0.00 H
ATOM 542 H2' DA A 17 -3.983 -6.687 -7.158 1.00 0.00 H
ATOM 543 H2'' DA A 17 -5.445 -6.476 -6.161 1.00 0.00 H
ATOM 544 H1' DA A 17 -5.288 -4.088 -6.227 1.00 0.00 H
ATOM 545 H8 DA A 17 -4.694 -6.435 -9.183 1.00 0.00 H
ATOM 546 H61 DA A 17 -7.519 -3.862 -12.422 1.00 0.00 H
ATOM 547 H62 DA A 17 -8.337 -2.311 -12.214 1.00 0.00 H
ATOM 548 H2 DA A 17 -7.452 -0.659 -8.348 1.00 0.00 H
ATOM 549 P DC A 18 -5.094 -6.491 -3.098 1.00 0.00 P
ATOM 550 OP1 DC A 18 -5.797 -7.511 -3.928 1.00 0.00 O
ATOM 551 OP2 DC A 18 -5.929 -5.663 -2.185 1.00 0.00 O
ATOM 552 O5' DC A 18 -4.006 -7.258 -2.164 1.00 0.00 O
ATOM 553 C5' DC A 18 -3.240 -8.361 -2.636 1.00 0.00 C
ATOM 554 C4' DC A 18 -2.646 -9.177 -1.472 1.00 0.00 C
ATOM 555 O4' DC A 18 -2.090 -10.380 -2.007 1.00 0.00 O
ATOM 556 C3' DC A 18 -1.507 -8.438 -0.745 1.00 0.00 C
ATOM 557 O3' DC A 18 -1.344 -8.856 0.611 1.00 0.00 O
ATOM 558 C2' DC A 18 -0.302 -8.921 -1.544 1.00 0.00 C
ATOM 559 C1' DC A 18 -0.688 -10.381 -1.774 1.00 0.00 C
ATOM 560 N1 DC A 18 0.046 -11.023 -2.903 1.00 0.00 N
ATOM 561 C2 DC A 18 0.921 -12.090 -2.634 1.00 0.00 C
ATOM 562 O2 DC A 18 1.104 -12.516 -1.488 1.00 0.00 O
ATOM 563 N3 DC A 18 1.606 -12.699 -3.637 1.00 0.00 N
ATOM 564 C4 DC A 18 1.427 -12.262 -4.866 1.00 0.00 C
ATOM 565 N4 DC A 18 2.110 -12.883 -5.789 1.00 0.00 N
ATOM 566 C5 DC A 18 0.559 -11.190 -5.206 1.00 0.00 C
ATOM 567 C6 DC A 18 -0.120 -10.586 -4.197 1.00 0.00 C
ATOM 568 H5' DC A 18 -2.434 -8.000 -3.276 1.00 0.00 H
ATOM 569 H5'' DC A 18 -3.873 -9.023 -3.230 1.00 0.00 H
ATOM 570 H4' DC A 18 -3.442 -9.415 -0.766 1.00 0.00 H
ATOM 571 H3' DC A 18 -1.618 -7.356 -0.823 1.00 0.00 H
ATOM 572 H2' DC A 18 -0.236 -8.382 -2.486 1.00 0.00 H
ATOM 573 H2'' DC A 18 0.628 -8.829 -0.983 1.00 0.00 H
ATOM 574 H1' DC A 18 -0.486 -10.911 -0.837 1.00 0.00 H
ATOM 575 H41 DC A 18 2.715 -13.635 -5.501 1.00 0.00 H
ATOM 576 H42 DC A 18 2.024 -12.596 -6.751 1.00 0.00 H
ATOM 577 H5 DC A 18 0.427 -10.846 -6.221 1.00 0.00 H
ATOM 578 H6 DC A 18 -0.803 -9.764 -4.403 1.00 0.00 H
ATOM 579 P DA A 19 -2.041 -8.088 1.856 1.00 0.00 P
ATOM 580 OP1 DA A 19 -1.830 -8.941 3.060 1.00 0.00 O
ATOM 581 OP2 DA A 19 -3.436 -7.711 1.498 1.00 0.00 O
ATOM 582 O5' DA A 19 -1.126 -6.759 2.038 1.00 0.00 O
ATOM 583 C5' DA A 19 -1.429 -5.512 1.410 1.00 0.00 C
ATOM 584 C4' DA A 19 -0.165 -4.703 1.056 1.00 0.00 C
ATOM 585 O4' DA A 19 0.651 -4.486 2.217 1.00 0.00 O
ATOM 586 C3' DA A 19 0.712 -5.427 0.011 1.00 0.00 C
ATOM 587 O3' DA A 19 1.173 -4.558 -1.017 1.00 0.00 O
ATOM 588 C2' DA A 19 1.889 -5.895 0.848 1.00 0.00 C
ATOM 589 C1' DA A 19 1.997 -4.742 1.843 1.00 0.00 C
ATOM 590 N9 DA A 19 2.922 -5.024 2.976 1.00 0.00 N
ATOM 591 C8 DA A 19 3.721 -6.130 3.182 1.00 0.00 C
ATOM 592 N7 DA A 19 4.649 -5.975 4.092 1.00 0.00 N
ATOM 593 C5 DA A 19 4.429 -4.664 4.540 1.00 0.00 C
ATOM 594 C6 DA A 19 5.067 -3.804 5.470 1.00 0.00 C
ATOM 595 N6 DA A 19 6.167 -4.080 6.151 1.00 0.00 N
ATOM 596 N1 DA A 19 4.601 -2.587 5.714 1.00 0.00 N
ATOM 597 C2 DA A 19 3.527 -2.188 5.049 1.00 0.00 C
ATOM 598 N3 DA A 19 2.847 -2.847 4.113 1.00 0.00 N
ATOM 599 C4 DA A 19 3.352 -4.096 3.904 1.00 0.00 C
ATOM 600 H5' DA A 19 -2.063 -4.920 2.073 1.00 0.00 H
ATOM 601 H5'' DA A 19 -1.987 -5.678 0.488 1.00 0.00 H
ATOM 602 H4' DA A 19 -0.474 -3.745 0.636 1.00 0.00 H
ATOM 603 H3' DA A 19 0.201 -6.290 -0.414 1.00 0.00 H
ATOM 604 H2' DA A 19 1.611 -6.824 1.346 1.00 0.00 H
ATOM 605 H2'' DA A 19 2.796 -6.016 0.254 1.00 0.00 H
ATOM 606 H1' DA A 19 2.372 -3.867 1.305 1.00 0.00 H
ATOM 607 H8 DA A 19 3.603 -7.049 2.619 1.00 0.00 H
ATOM 608 H61 DA A 19 6.641 -4.956 6.000 1.00 0.00 H
ATOM 609 H62 DA A 19 6.571 -3.334 6.693 1.00 0.00 H
ATOM 610 H2 DA A 19 3.138 -1.216 5.323 1.00 0.00 H
ATOM 611 P DG A 20 0.499 -4.595 -2.492 1.00 0.00 P
ATOM 612 OP1 DG A 20 0.631 -5.983 -3.016 1.00 0.00 O
ATOM 613 OP2 DG A 20 1.112 -3.487 -3.275 1.00 0.00 O
ATOM 614 O5' DG A 20 -1.087 -4.289 -2.239 1.00 0.00 O
ATOM 615 C5' DG A 20 -1.622 -2.977 -2.368 1.00 0.00 C
ATOM 616 C4' DG A 20 -2.975 -2.790 -1.647 1.00 0.00 C
ATOM 617 O4' DG A 20 -2.744 -2.599 -0.246 1.00 0.00 O
ATOM 618 C3' DG A 20 -3.695 -1.519 -2.152 1.00 0.00 C
ATOM 619 O3' DG A 20 -5.114 -1.645 -1.960 1.00 0.00 O
ATOM 620 C2' DG A 20 -3.081 -0.477 -1.225 1.00 0.00 C
ATOM 621 C1' DG A 20 -3.075 -1.254 0.087 1.00 0.00 C
ATOM 622 N9 DG A 20 -2.190 -0.634 1.104 1.00 0.00 N
ATOM 623 C8 DG A 20 -2.579 0.086 2.208 1.00 0.00 C
ATOM 624 N7 DG A 20 -1.591 0.456 2.982 1.00 0.00 N
ATOM 625 C5 DG A 20 -0.456 -0.025 2.318 1.00 0.00 C
ATOM 626 C6 DG A 20 0.941 0.057 2.655 1.00 0.00 C
ATOM 627 O6 DG A 20 1.452 0.561 3.655 1.00 0.00 O
ATOM 628 N1 DG A 20 1.774 -0.509 1.711 1.00 0.00 N
ATOM 629 C2 DG A 20 1.322 -1.111 0.585 1.00 0.00 C
ATOM 630 N2 DG A 20 2.195 -1.665 -0.216 1.00 0.00 N
ATOM 631 N3 DG A 20 0.045 -1.204 0.234 1.00 0.00 N
ATOM 632 C4 DG A 20 -0.810 -0.653 1.145 1.00 0.00 C
ATOM 633 H5' DG A 20 -1.746 -2.749 -3.426 1.00 0.00 H
ATOM 634 H5'' DG A 20 -0.903 -2.268 -1.962 1.00 0.00 H
ATOM 635 H4' DG A 20 -3.602 -3.666 -1.828 1.00 0.00 H
ATOM 636 H3' DG A 20 -3.455 -1.317 -3.198 1.00 0.00 H
ATOM 637 H2' DG A 20 -2.068 -0.231 -1.537 1.00 0.00 H
ATOM 638 H2'' DG A 20 -3.666 0.428 -1.168 1.00 0.00 H
ATOM 639 H1' DG A 20 -4.098 -1.246 0.471 1.00 0.00 H
ATOM 640 H8 DG A 20 -3.623 0.304 2.417 1.00 0.00 H
ATOM 641 H1 DG A 20 2.763 -0.498 1.903 1.00 0.00 H
ATOM 642 H21 DG A 20 3.186 -1.658 -0.027 1.00 0.00 H
ATOM 643 H22 DG A 20 1.823 -2.184 -0.998 1.00 0.00 H
ATOM 644 P DG A 21 -6.197 -0.553 -2.504 1.00 0.00 P
ATOM 645 OP1 DG A 21 -7.555 -1.154 -2.376 1.00 0.00 O
ATOM 646 OP2 DG A 21 -5.761 -0.094 -3.850 1.00 0.00 O
ATOM 647 O5' DG A 21 -6.115 0.724 -1.498 1.00 0.00 O
ATOM 648 C5' DG A 21 -6.785 0.766 -0.236 1.00 0.00 C
ATOM 649 C4' DG A 21 -6.351 1.989 0.597 1.00 0.00 C
ATOM 650 O4' DG A 21 -4.950 1.944 0.846 1.00 0.00 O
ATOM 651 C3' DG A 21 -6.673 3.331 -0.091 1.00 0.00 C
ATOM 652 O3' DG A 21 -7.635 4.056 0.677 1.00 0.00 O
ATOM 653 C2' DG A 21 -5.306 4.033 -0.171 1.00 0.00 C
ATOM 654 C1' DG A 21 -4.442 3.265 0.828 1.00 0.00 C
ATOM 655 N9 DG A 21 -2.993 3.217 0.498 1.00 0.00 N
ATOM 656 C8 DG A 21 -2.377 2.820 -0.669 1.00 0.00 C
ATOM 657 N7 DG A 21 -1.082 2.650 -0.576 1.00 0.00 N
ATOM 658 C5 DG A 21 -0.814 3.056 0.739 1.00 0.00 C
ATOM 659 C6 DG A 21 0.420 3.134 1.470 1.00 0.00 C
ATOM 660 O6 DG A 21 1.541 2.789 1.110 1.00 0.00 O
ATOM 661 N1 DG A 21 0.287 3.667 2.734 1.00 0.00 N
ATOM 662 C2 DG A 21 -0.895 4.060 3.264 1.00 0.00 C
ATOM 663 N2 DG A 21 -0.872 4.637 4.438 1.00 0.00 N
ATOM 664 N3 DG A 21 -2.071 3.967 2.647 1.00 0.00 N
ATOM 665 C4 DG A 21 -1.967 3.456 1.381 1.00 0.00 C
ATOM 666 H5' DG A 21 -6.608 -0.145 0.343 1.00 0.00 H
ATOM 667 H5'' DG A 21 -7.859 0.829 -0.404 1.00 0.00 H
ATOM 668 H4' DG A 21 -6.872 1.959 1.557 1.00 0.00 H
ATOM 669 H3' DG A 21 -7.075 3.144 -1.092 1.00 0.00 H
ATOM 670 H2' DG A 21 -4.898 3.965 -1.179 1.00 0.00 H
ATOM 671 H2'' DG A 21 -5.371 5.077 0.125 1.00 0.00 H
ATOM 672 H1' DG A 21 -4.572 3.716 1.816 1.00 0.00 H
ATOM 673 H8 DG A 21 -2.934 2.621 -1.575 1.00 0.00 H
ATOM 674 H1 DG A 21 1.129 3.807 3.270 1.00 0.00 H
ATOM 675 H21 DG A 21 -0.006 4.847 4.923 1.00 0.00 H
ATOM 676 H22 DG A 21 -1.748 4.957 4.812 1.00 0.00 H
ATOM 677 P DG A 22 -8.345 5.420 0.148 1.00 0.00 P
ATOM 678 OP1 DG A 22 -9.664 5.537 0.827 1.00 0.00 O
ATOM 679 OP2 DG A 22 -8.315 5.440 -1.340 1.00 0.00 O
ATOM 680 O5' DG A 22 -7.386 6.609 0.686 1.00 0.00 O
ATOM 681 C5' DG A 22 -7.336 6.941 2.072 1.00 0.00 C
ATOM 682 C4' DG A 22 -6.143 7.834 2.457 1.00 0.00 C
ATOM 683 O4' DG A 22 -4.918 7.129 2.241 1.00 0.00 O
ATOM 684 C3' DG A 22 -6.060 9.163 1.674 1.00 0.00 C
ATOM 685 O3' DG A 22 -5.733 10.217 2.585 1.00 0.00 O
ATOM 686 C2' DG A 22 -4.932 8.857 0.684 1.00 0.00 C
ATOM 687 C1' DG A 22 -4.035 8.022 1.591 1.00 0.00 C
ATOM 688 N9 DG A 22 -2.931 7.323 0.899 1.00 0.00 N
ATOM 689 C8 DG A 22 -2.910 6.704 -0.330 1.00 0.00 C
ATOM 690 N7 DG A 22 -1.743 6.225 -0.670 1.00 0.00 N
ATOM 691 C5 DG A 22 -0.924 6.578 0.407 1.00 0.00 C
ATOM 692 C6 DG A 22 0.476 6.361 0.637 1.00 0.00 C
ATOM 693 O6 DG A 22 1.282 5.768 -0.073 1.00 0.00 O
ATOM 694 N1 DG A 22 0.931 6.893 1.821 1.00 0.00 N
ATOM 695 C2 DG A 22 0.146 7.550 2.706 1.00 0.00 C
ATOM 696 N2 DG A 22 0.717 8.021 3.784 1.00 0.00 N
ATOM 697 N3 DG A 22 -1.158 7.765 2.546 1.00 0.00 N
ATOM 698 C4 DG A 22 -1.639 7.254 1.369 1.00 0.00 C
ATOM 699 H5' DG A 22 -7.266 6.023 2.660 1.00 0.00 H
ATOM 700 H5'' DG A 22 -8.259 7.450 2.354 1.00 0.00 H
ATOM 701 H4' DG A 22 -6.232 8.064 3.522 1.00 0.00 H
ATOM 702 H3' DG A 22 -7.000 9.379 1.161 1.00 0.00 H
ATOM 703 H2' DG A 22 -5.314 8.266 -0.149 1.00 0.00 H
ATOM 704 H2'' DG A 22 -4.424 9.746 0.315 1.00 0.00 H
ATOM 705 H1' DG A 22 -3.599 8.691 2.337 1.00 0.00 H
ATOM 706 H8 DG A 22 -3.785 6.611 -0.960 1.00 0.00 H
ATOM 707 H1 DG A 22 1.914 6.796 2.022 1.00 0.00 H
ATOM 708 H21 DG A 22 1.713 7.929 3.951 1.00 0.00 H
ATOM 709 H22 DG A 22 0.136 8.500 4.449 1.00 0.00 H
ATOM 710 P DT A 23 -5.472 11.750 2.126 1.00 0.00 P
ATOM 711 OP1 DT A 23 -5.729 12.623 3.303 1.00 0.00 O
ATOM 712 OP2 DT A 23 -6.236 12.014 0.876 1.00 0.00 O
ATOM 713 O5' DT A 23 -3.886 11.814 1.777 1.00 0.00 O
ATOM 714 C5' DT A 23 -2.891 11.653 2.787 1.00 0.00 C
ATOM 715 C4' DT A 23 -1.478 12.078 2.343 1.00 0.00 C
ATOM 716 O4' DT A 23 -0.893 11.190 1.395 1.00 0.00 O
ATOM 717 C3' DT A 23 -1.448 13.491 1.723 1.00 0.00 C
ATOM 718 O3' DT A 23 -0.602 14.368 2.462 1.00 0.00 O
ATOM 719 C2' DT A 23 -0.836 13.239 0.343 1.00 0.00 C
ATOM 720 C1' DT A 23 -0.018 11.977 0.601 1.00 0.00 C
ATOM 721 N1 DT A 23 0.403 11.326 -0.671 1.00 0.00 N
ATOM 722 C2 DT A 23 1.565 11.805 -1.297 1.00 0.00 C
ATOM 723 O2 DT A 23 2.275 12.699 -0.835 1.00 0.00 O
ATOM 724 N3 DT A 23 1.903 11.236 -2.504 1.00 0.00 N
ATOM 725 C4 DT A 23 1.203 10.237 -3.148 1.00 0.00 C
ATOM 726 O4 DT A 23 1.616 9.835 -4.237 1.00 0.00 O
ATOM 727 C5 DT A 23 0.007 9.775 -2.442 1.00 0.00 C
ATOM 728 C7 DT A 23 -0.859 8.684 -3.049 1.00 0.00 C
ATOM 729 C6 DT A 23 -0.355 10.327 -1.251 1.00 0.00 C
ATOM 730 H5' DT A 23 -2.860 10.612 3.114 1.00 0.00 H
ATOM 731 H5'' DT A 23 -3.155 12.265 3.651 1.00 0.00 H
ATOM 732 H4' DT A 23 -0.841 12.085 3.230 1.00 0.00 H
ATOM 733 H3' DT A 23 -2.455 13.913 1.644 1.00 0.00 H
ATOM 734 HO3' DT A 23 -0.735 15.289 2.148 1.00 0.00 H
ATOM 735 H2' DT A 23 -1.613 13.033 -0.397 1.00 0.00 H
ATOM 736 H2'' DT A 23 -0.206 14.066 0.014 1.00 0.00 H
ATOM 737 H1' DT A 23 0.866 12.242 1.191 1.00 0.00 H
ATOM 738 H3 DT A 23 2.731 11.580 -2.957 1.00 0.00 H
ATOM 739 H71 DT A 23 -1.173 8.984 -4.050 1.00 0.00 H
ATOM 740 H72 DT A 23 -0.275 7.768 -3.132 1.00 0.00 H
ATOM 741 H73 DT A 23 -1.743 8.496 -2.441 1.00 0.00 H
ATOM 742 H6 DT A 23 -1.255 9.990 -0.749 1.00 0.00 H
TER 743 DT A 23
ENDMDL
MASTER 0 0 0 0 0 0 0 6 485 1 0 2
END

4532
models/rfd3/docs/input_pdbs/7v11.pdb Normal file
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84
models/rfd3/docs/input_pdbs/M0255_1mg5.pdb Normal file
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@@ -0,0 +1,84 @@
ATOM 1 N ASN A 108 -1.831 7.586 -0.524 1.00 0.00 N
ATOM 2 CA ASN A 108 -0.780 6.606 -0.253 1.00 0.00 C
ATOM 3 C ASN A 108 0.647 7.109 -0.280 1.00 0.00 C
ATOM 4 O ASN A 108 1.473 6.539 0.468 1.00 0.00 O
ATOM 5 CB ASN A 108 -0.920 5.444 -1.253 1.00 0.00 C
ATOM 6 CG ASN A 108 -2.233 4.691 -1.107 1.00 0.00 C
ATOM 7 OD1 ASN A 108 -3.148 5.078 -0.370 1.00 0.00 O
ATOM 8 ND2 ASN A 108 -2.305 3.590 -1.857 1.00 0.00 N
ATOM 9 N SER A 139 3.804 -1.941 2.086 1.00 0.00 N
ATOM 10 CA SER A 139 3.101 -3.100 1.550 1.00 0.00 C
ATOM 11 C SER A 139 4.107 -3.984 0.833 1.00 0.00 C
ATOM 12 O SER A 139 5.004 -3.450 0.203 1.00 0.00 O
ATOM 13 CB SER A 139 2.044 -2.691 0.531 1.00 0.00 C
ATOM 14 OG SER A 139 1.484 -3.732 -0.218 1.00 0.00 O
ATOM 15 N TYR A 152 -1.872 1.622 -7.348 1.00 0.00 N
ATOM 16 CA TYR A 152 -1.625 1.343 -5.934 1.00 0.00 C
ATOM 17 C TYR A 152 -0.247 0.774 -5.657 1.00 0.00 C
ATOM 18 O TYR A 152 0.484 1.228 -4.775 1.00 0.00 O
ATOM 19 CB TYR A 152 -2.637 0.280 -5.478 1.00 0.00 C
ATOM 20 CG TYR A 152 -2.473 -0.171 -4.039 1.00 0.00 C
ATOM 21 CD1 TYR A 152 -3.089 0.512 -3.001 1.00 0.00 C
ATOM 22 CD2 TYR A 152 -1.724 -1.316 -3.768 1.00 0.00 C
ATOM 23 CE1 TYR A 152 -2.960 0.051 -1.703 1.00 0.00 C
ATOM 24 CE2 TYR A 152 -1.571 -1.771 -2.464 1.00 0.00 C
ATOM 25 CZ TYR A 152 -2.212 -1.084 -1.454 1.00 0.00 C
ATOM 26 OH TYR A 152 -2.067 -1.548 -0.160 1.00 0.00 O
ATOM 27 N LYS A 156 3.015 2.216 -3.293 1.00 0.00 N
ATOM 28 CA LYS A 156 3.713 1.519 -2.209 1.00 0.00 C
ATOM 29 C LYS A 156 5.191 1.353 -2.484 1.00 0.00 C
ATOM 30 O LYS A 156 5.993 1.390 -1.552 1.00 0.00 O
ATOM 31 CB LYS A 156 2.995 0.192 -1.901 1.00 0.00 C
ATOM 32 CG LYS A 156 1.571 0.490 -1.401 1.00 0.00 C
ATOM 33 CD LYS A 156 1.592 1.225 -0.059 1.00 0.00 C
ATOM 34 CE LYS A 156 0.284 1.017 0.701 1.00 0.00 C
ATOM 35 NZ LYS A 156 0.308 1.634 2.071 1.00 0.00 N
HETATM 36 C ACT A 900 -2.009 -5.026 -0.330 1.00 0.00 C
HETATM 37 O ACT A 900 -3.161 -5.482 -0.238 1.00 0.00 O
HETATM 38 OXT ACT A 900 -1.498 -3.916 -0.167 1.00 0.00 O
HETATM 39 CH3 ACT A 900 -0.878 -6.037 -0.668 1.00 0.00 C
HETATM 40 PA NAI A 850 -8.581 -0.242 5.750 1.00 0.00 P
HETATM 41 O1A NAI A 850 -9.349 0.231 4.569 1.00 0.00 O
HETATM 42 O2A NAI A 850 -9.389 -0.894 6.798 1.00 0.00 O
HETATM 43 O5B NAI A 850 -7.799 0.917 6.493 1.00 0.00 O
HETATM 44 C5B NAI A 850 -7.313 2.070 5.708 1.00 0.00 C
HETATM 45 C4B NAI A 850 -6.898 3.056 6.802 1.00 0.00 C
HETATM 46 O4B NAI A 850 -6.401 4.245 6.129 1.00 0.00 O
HETATM 47 C3B NAI A 850 -8.094 3.539 7.652 1.00 0.00 C
HETATM 48 O3B NAI A 850 -7.604 3.961 8.901 1.00 0.00 O
HETATM 49 C2B NAI A 850 -8.579 4.728 6.821 1.00 0.00 C
HETATM 50 O2B NAI A 850 -9.526 5.601 7.420 1.00 0.00 O
HETATM 51 C1B NAI A 850 -7.190 5.345 6.529 1.00 0.00 C
HETATM 52 N9A NAI A 850 -7.314 6.329 5.448 1.00 0.00 N
HETATM 53 C8A NAI A 850 -7.716 6.164 4.155 1.00 0.00 C
HETATM 54 N7A NAI A 850 -7.786 7.335 3.495 1.00 0.00 N
HETATM 55 C5A NAI A 850 -7.419 8.264 4.430 1.00 0.00 C
HETATM 56 C6A NAI A 850 -7.287 9.675 4.365 1.00 0.00 C
HETATM 57 N6A NAI A 850 -7.538 10.349 3.250 1.00 0.00 N
HETATM 58 N1A NAI A 850 -6.894 10.297 5.502 1.00 0.00 N
HETATM 59 C2A NAI A 850 -6.651 9.586 6.641 1.00 0.00 C
HETATM 60 N3A NAI A 850 -6.754 8.287 6.785 1.00 0.00 N
HETATM 61 C4A NAI A 850 -7.149 7.684 5.648 1.00 0.00 C
HETATM 62 O3 NAI A 850 -7.419 -1.192 5.193 1.00 0.00 O
HETATM 63 PN NAI A 850 -6.176 -1.843 5.931 1.00 0.00 P
HETATM 64 O1N NAI A 850 -6.023 -3.207 5.371 1.00 0.00 O
HETATM 65 O2N NAI A 850 -6.343 -1.771 7.392 1.00 0.00 O
HETATM 66 O5D NAI A 850 -5.025 -0.855 5.391 1.00 0.00 O
HETATM 67 C5D NAI A 850 -4.162 -0.186 6.319 1.00 0.00 C
HETATM 68 C4D NAI A 850 -2.841 0.114 5.628 1.00 0.00 C
HETATM 69 O4D NAI A 850 -2.207 -1.160 5.349 1.00 0.00 O
HETATM 70 C3D NAI A 850 -2.908 0.884 4.318 1.00 0.00 C
HETATM 71 O3D NAI A 850 -1.790 1.777 4.166 1.00 0.00 O
HETATM 72 C2D NAI A 850 -2.850 -0.259 3.297 1.00 0.00 C
HETATM 73 O2D NAI A 850 -2.325 0.228 2.053 1.00 0.00 O
HETATM 74 C1D NAI A 850 -1.819 -1.161 3.979 1.00 0.00 C
HETATM 75 N1N NAI A 850 -1.764 -2.545 3.526 1.00 0.00 N
HETATM 76 C2N NAI A 850 -2.829 -3.361 3.692 1.00 0.00 C
HETATM 77 C3N NAI A 850 -2.748 -4.639 3.198 1.00 0.00 C
HETATM 78 C7N NAI A 850 -3.902 -5.686 3.210 1.00 0.00 C
HETATM 79 O7N NAI A 850 -3.783 -6.723 2.547 1.00 0.00 O
HETATM 80 N7N NAI A 850 -4.953 -5.396 3.996 1.00 0.00 N
HETATM 81 C4N NAI A 850 -1.505 -5.269 2.901 1.00 0.00 C
HETATM 82 C5N NAI A 850 -0.460 -4.325 2.716 1.00 0.00 C
HETATM 83 C6N NAI A 850 -0.484 -3.023 3.140 1.00 0.00 C
HETATM 84 ORI ORI C 901 0.000 0.000 0.000 1.00 0.00 X

2
models/rfd3/src/rfd3/docs/symmetry.md → models/rfd3/docs/symmetry.md
View File

@@ -163,3 +163,5 @@ The tasks that these examples describe are as follows:
- Implementation of 2D-conditioning for symmetric motifs
- will require figuring out how to read in motif, make symmetric when atom array is symmetrized, and then make sure that the 2D-cond labels get copied over too.
- Improve helical symmetry

219
models/rfd3/src/rfd3/docs/legacy_input.md
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@@ -1,219 +0,0 @@
# Input parsing to RFdiffusion3
Contains:
<!-- - inference arguments -->
- Documentation on specification arguments
# Specification arguments (input instantiation)
### Top level structure
**UPDATE**: YAML files can now also be used if you prefer! Simply substitute the equivalent YAML for any JSON file, and all arguments/configs will work equivalently.
JSON inputs take the following top-level structure;
```yaml
{
"name_of_design": {
**dictionary_of_specification_args
},
"name_of_second_design": {
input: PathLike = None,
length: str = "100-300",
contig: str = None,
fixed_atoms: dict = None,
unindex: str = None,
unfix_sequence: str = None,
redesign_motif_sidechains: bool = True,
unfix_all=False,
unfix_specific: null,
ligand: str = None,
ori_token: list[float] = None,
atomwise_rasa: dict = None,
add_all_na_as_motif: bool = False,
atomwise_hbond: dict = None,
# Additional args:
out_path=None,
cif_parser_args=None,
}
}
```
### Enzyme-design Cookbook for RFdiffusion3
*Use checkpoint `/projects/ml/aa_design/models/rfd3_latest.ckpt` for enzyme design. This will be updated continuously*
The following will detail how to run RFD3 with:
- Specify fixed atoms and fixed atom contigs
- Specify RASA conditioning
- Specify a single or multiple ORI tokens
- Run inference on partially fixed ligands
- Specify partial unindexing where relative motif offsets are partially known
- Specify sequence-agnostic fixed atom motifs (e.g. carboxyllic acids)
- Specify atoms to be hydrogen bond donors or acceptors (Although dict format only 1 is useful)
**General arguments:** *Fixed atoms, Unindexed Residues, Ligands and Length* can all be specified rather simply as seen in this example config:
```
{
"M0078_1al6": {
// Inputs can be any parsable cif/pdb file. If not absolute and not found, the loader will try to find the input in the same directory as the JSON itself
"input": "./aa_design/tests/test_data/mcsa_41/M0078_1al6.pdb",
"ligand": "OAA,HAX", // Selection based on res_name, can also use pdb idx, e.g. X1
"unindex": "A244,A274,A320,A329,A375", // Supports similar syntax to a contig string
"length": 180, // integer or string e.g. "180-200" to randomly sample lengths
"fixed_atoms": {
"A244":"OG,CB",
"A274":"ALL", // "ALL" will fix all coordinates in space
"A320":"ND1,CG,NE2,CD2,CB,CE1",
"A329":"TIP", // "TIP" will fix the tipatoms (see constants.py for defition by residue)
"A375":"OD2,CG,OD1"
},
"unfix_sequence": "A375" // Contig string of components to relax sequence of. Relaxes A375 to be either GLU or ASP
"unfix_specific": "A64,A86" // Residues to unfix coordinates for. Use "ALL" to unfix every motif or use unfix_all
"atomwise_hbond": { // Dictionary specifying which atoms on the fixed atoms are also hydrogen donors or acceptors
"active_donor": {
"A244": {
"OG": 1
}
},
"active_acceptor": {
"A329": {
"NH1,NH2": 1
}
}
},
},
}
```
Note you do not need to specify a `contig` for indexed components -- You can, however, mix indexed and unindexed components by supplying a contig anyway.
**ORI tokens** can be provided as either a command-line argument, or within the input (PDB or CIF) file. If you provide multiple ORI tokens in the input file, each example will be randomly instantiated with one of them. This will currently not randomize the ori tokens within the batch:
- JSON argument: `"ori_token": [0,1,2]` list of coordinates x,y,z relative to the coordinates in the input file to center on.
- Command line argument: you can use `ori_token=\[0,0,1\]` (note the backslashes to provide [ as an escaped character)
- In the input PDB file (supports multiple, will randomly select one for each batch): by adding a hetero atom line like:
```HETATM 106 ORI ORI D 273 0.000 0.000 0.000 1.00 0.00 X ```
NB: if multiple of the above are provided the order will be: (i) in JSON, (ii) command line, (iii) in PDB, (iv) COM of fixed motifs (default).
You can also add inference-time jitter (jitters all batches relative to the ori token set), by specifying at the command line `inference_sampler.s_jitter_origin=1.0` to jitter the initialized COM of the diffused region by Gaussian noise of variance 1.0 Angstrom.
**Partial unindexing / sequence index-tied residues**
You can specify consecutive residues as e.g. `A11-12` (instead of `A11,A12`), this will tie the two components together in sequence (it leaks to the model that residues are together in sequence). Similarly, you can specify manually any number of residues that offsets two components, e.g. `A11,0,A12` (0 sequence offset, equivalent to just `A11-12`), or `A11,3,A12` (3-residue separation).
From our initial tests this only leads to a slight bias in the model, but newer models may show better adherence!
**Sequence agnostic motifs / functional group**
To relax the sequence constraint for a specific residue, you can specify `unfix_sequence` as a comma-separated list of components
The cases where this is expected to work are:
- Carboxylates for ASP/GLU
- Amides for ASN/GLN
- Oxygens for SER/THR
**RASA Conditioning** Three bins exist; buried (0), partially buried (1) and exposed (2). Not specifying a value simply does not provide a bin to the model.
### Debugging
- For unindexed scaffolding, you can use the option `cleanup_guideposts=False` to keep the models' outputs for the guideposts. The guideposts are saved as separate chains based on whether their relative indices were leaked to the model: e.g. for `unindex=A11-12,A22`, you should see `A11` and `A12` indexed together on one chain and `A22` on it's own chain. Indicating the model was provided with the fact that `A11` and `A12` are immediately next to one another in sequence but their distance to `A22` is unknown.
- To see the full 14 diffused virtual atoms you can use `cleanup_virtual_atoms=False`. Default is to discard them for the sake of downstream processing.
- To see the trajectories, you can use `dump_trajectories=True`. This can be useful if the outputs look strange but the config is correct, or if you want to make cool gifs of course! Trajectories do not have sequence labels and contain virtual atoms.
- To see the sequence head confidence in each sequence, you can run `spectrum b` in `pymol` as the sequence logit entropy is stored in the bfactor column of the outputs.
### Partial Diffusion
To enable partial diffusion, you can pass `partial_t` with any example. This sets the *noise level* in *angstrom* for the sampler:
- The `specification.partial_t` arg can be specified from the json or command line.
- Partial diffusion will fix/unfix ligands and nucleic acids as normal, by default it will fix non-protein components and they must be specified explicitly.
- By default, the ca-aligned `ca_rmsd_to_input` will be logged.
- Currently, partial diffusion subsets the inference schedule based on the partial_t, so `inference_sampler.num_timesteps` will affect how many steps are used but it is not equal to the number of steps used.
The following example will noise out by 15 angstroms, and constrain atoms of three residues. In this output one of the 8 diffusion outputs swapped their sequence index by one residue:
```json
"partial_diffusion": {
"input": "paper_examples/7v11.cif",
"ligand": "OQO",
"partial_t": 15.0,
"unindex": "A431,A572-573",
"fixed_atoms": {
"A431": "TIP",
"A572": "BKBN",
"A573": "BKBN"
}
}
```
<p align="center">
<img src=".assets/partial_diff.png" alt="Partial diffusion with RFdiffusion3" width="60%">
<figcaption>
Partial diffusion with tipatom constraints (`demo.json`).
Here, the input is in navaho, and generations are in teal. Constrained residues and atoms are in blue
</figcaption>
</p>
The following are on my todo list and will come soon:
- Partial diffusion does not currently support differential noising, in part because the model isn't trained on this.
- Logging of TM-score of the design to the input / sequence similarity
- Explicit redesign motif sidechains
### Full example (from demo.json)
below is (a version) of the demo.json:
```json
{
"1nzy-1": {
"input": "M0024_1nzy.pdb",
"ligand": "BCA",
"contig": "118,A137,7,A145,49",
"unindex": "A64,A86,A90,A114",
"ori_token": [0,0,0],
"fixed_atoms": {
"A64": "O,C",
"A86": "CB,CA,N,C",
"A90": "CE1,ND1,NE2,CG,CD2",
"A114": "N,CA",
"A137": "NE1,CD1,CE2,CG,CD2,CZ2",
"A145": "OD2,CG,CB,OD1",
"BCA": "C6B,C5B,C7B,C4B,O2B,C2B,C3B,C1B,S1P,O1B,C2P,C3P,N4P,C5P,C6P,O5P,C7P,N8P,C9P,CAP,O9P,CBP,OAP,CCP,CDP,CEP,O6A,P2A"
},
"length": 150,
"atomwise_rasa": {
"BCA": {
"CDP,CEP,CAP,OAP,C9P,O9P,N8P,C7P,C6P,C5P,O5P,N4P,C3P,C2P,S1P,C1B,O1B,C2B,C3B,C4B,C5B,O2B,C6B,C7B": 0,
"N1A,C2A,N3A,C4A,C5A,C6A,N6A,N7A,C8A,N9A,C1D,C2D,O2D,C3D,O3D,C4D,O4D,C5D,O5D,P1A,O1A,O2A,O3A,P2A,O4A,O5A,O6A,CBP,CCP": 2
}
},
"atomwise_hbond": {
"active_donor": {
"A145": {
"OD1,OD2": 1
},
"A90": {
"ND1": 1
}
},
"active_acceptor": {
"A137": {
"NE1": 1
}
}
},
},
"rsv0-1": {
"input": "rsv0_4jhw.pdb",
"contig": "19-19,F63-69,34-34,F196-211",
"length": "76-76"
}
}
```
### Multi-example files
You can also specify multiple examples within a single json/yaml if you prefer. In this case, if there are certain flags that you would like to apply to all examples in a file, you can include this in a top-level "global_args" category. For example, if using a multi-example YAML file:
```yaml
global_args:
length: 150 # Will be applied to all examples
insulinr:
# Design specifications here
pdl1:
# Design specifications here
# ... More examples below if desired
```

4
models/rfd3/src/rfd3/transforms/hbonds_hbplus.py
View File

@@ -69,10 +69,12 @@ def calculate_hbonds(
dtstr = datetime.now().strftime("%Y%m%d%H%M%S")
pdb_path = f"{dtstr}_{np.random.randint(10000)}.pdb"
atom_array, nan_mask, chain_map = save_atomarray_to_pdb(atom_array, pdb_path)
hbplus_exe = os.environ.get("HBPLUS_PATH")
subprocess.call(
[
"/projects/ml/hbplus",
hbplus_exe,
"-h",
str(cutoff_HA_dist),
"-d",