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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>
618 lines
49 KiB
Plaintext
Executable File
618 lines
49 KiB
Plaintext
Executable File
HEADER DNA 26-JAN-81 XXXX
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TITLE STRUCTURE OF A B-DNA DODECAMER. CONFORMATION AND DYNAMICS
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KEYWDS B-DNA, DOUBLE HELIX, DNA
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EXPDTA X-RAY DIFFRACTION
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AUTHOR H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,R.E.DICKERSON
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JRNL AUTH H.R.DREW,R.M.WING,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
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JRNL AUTH 2 R.E.DICKERSON
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JRNL TITL STRUCTURE OF A B-DNA DODECAMER: CONFORMATION AND DYNAMICS.
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JRNL REF PROC.NATL.ACAD.SCI.USA V. 78 2179 1981
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JRNL REFN ISSN 0027-8424
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JRNL PMID 6941276
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JRNL DOI 10.1073/PNAS.78.4.2179
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REMARK 1
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REMARK 1 REFERENCE 1
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REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
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REMARK 1 TITL KINEMATIC MODEL FOR B-DNA
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REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 78 7318 1981
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REMARK 1 REFN ISSN 0027-8424
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REMARK 1 REFERENCE 2
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REMARK 1 AUTH R.E.DICKERSON,H.R.DREW
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REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. II. INFLUENCE OF BASE
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REMARK 1 TITL 2 SEQUENCE ON HELIX STRUCTURE
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REMARK 1 REF J.MOL.BIOL. V. 149 761 1981
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REMARK 1 REFN ISSN 0022-2836
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REMARK 1 REFERENCE 3
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REMARK 1 AUTH H.R.DREW,R.E.DICKERSON
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REMARK 1 TITL STRUCTURE OF A B-DNA DODECAMER. III. GEOMETRY OF HYDRATION
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REMARK 1 REF J.MOL.BIOL. V. 151 535 1981
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REMARK 1 REFN ISSN 0022-2836
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REMARK 1 REFERENCE 4
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REMARK 1 AUTH R.WING,H.R.DREW,T.TAKANO,C.BROKA,S.TANAKA,K.ITAKURA,
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REMARK 1 AUTH 2 R.E.DICKERSON
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REMARK 1 TITL CRYSTAL STRUCTURE ANALYSIS OF A COMPLETE TURN OF B-DNA
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REMARK 1 REF NATURE V. 287 755 1980
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REMARK 1 REFN ISSN 0028-0836
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SEQRES 1 A 12 DC DG DC DG DA DA DT DT DC DG DC DG
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SEQRES 1 B 12 DC DG DC DG DA DA DT DT DC DG DC DG
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FORMUL 3 HOH *80(H2 O)
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CRYST1 24.870 40.390 66.200 90.00 90.00 90.00 P 21 21 21 8
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ORIGX1 1.000000 0.000000 0.000000 0.00000
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ORIGX2 0.000000 1.000000 0.000000 0.00000
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ORIGX3 0.000000 0.000000 1.000000 0.00000
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SCALE1 0.040209 0.000000 0.000000 0.00000
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SCALE2 0.000000 0.024759 0.000000 0.00000
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SCALE3 0.000000 0.000000 0.015106 0.00000
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MODEL 1
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ATOM 1 O5' DC A 1 18.935 34.195 25.617 1.00 64.35 O
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ATOM 2 C5' DC A 1 19.130 33.921 24.219 1.00 44.69 C
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ATOM 3 C4' DC A 1 19.961 32.668 24.100 1.00 31.28 C
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ATOM 4 O4' DC A 1 19.360 31.583 24.852 1.00 37.45 O
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ATOM 5 C3' DC A 1 20.172 32.122 22.694 1.00 46.72 C
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ATOM 6 O3' DC A 1 21.350 31.325 22.681 1.00 48.89 O
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ATOM 7 C2' DC A 1 18.948 31.223 22.647 1.00 30.88 C
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ATOM 8 C1' DC A 1 19.231 30.482 23.944 1.00 36.58 C
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ATOM 9 N1 DC A 1 18.070 29.661 24.380 1.00 40.51 N
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ATOM 10 C2 DC A 1 18.224 28.454 25.015 1.00 16.62 C
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ATOM 11 O2 DC A 1 19.360 28.014 25.214 1.00 27.75 O
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ATOM 12 N3 DC A 1 17.143 27.761 25.377 1.00 20.55 N
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ATOM 13 C4 DC A 1 15.917 28.226 25.120 1.00 34.72 C
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ATOM 14 N4 DC A 1 14.828 27.477 25.444 1.00 40.31 N
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ATOM 15 C5 DC A 1 15.719 29.442 24.471 1.00 30.78 C
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ATOM 16 C6 DC A 1 16.843 30.171 24.101 1.00 25.90 C
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ATOM 17 P DG A 2 22.409 31.286 21.483 1.00 58.85 P
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ATOM 18 OP1 DG A 2 23.536 32.157 21.851 1.00 57.82 O
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ATOM 19 OP2 DG A 2 21.822 31.459 20.139 1.00 78.33 O
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ATOM 20 O5' DG A 2 22.840 29.751 21.498 1.00 40.36 O
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ATOM 21 C5' DG A 2 23.543 29.175 22.594 1.00 47.19 C
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ATOM 22 C4' DG A 2 23.494 27.709 22.279 1.00 47.81 C
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ATOM 23 O4' DG A 2 22.193 27.252 22.674 1.00 38.76 O
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ATOM 24 C3' DG A 2 23.693 27.325 20.807 1.00 28.58 C
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ATOM 25 O3' DG A 2 24.723 26.320 20.653 1.00 40.44 O
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ATOM 26 C2' DG A 2 22.273 26.885 20.416 1.00 21.14 C
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ATOM 27 C1' DG A 2 21.721 26.304 21.716 1.00 33.95 C
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ATOM 28 N9 DG A 2 20.237 26.470 21.780 1.00 34.00 N
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ATOM 29 C8 DG A 2 19.526 27.584 21.429 1.00 36.47 C
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ATOM 30 N7 DG A 2 18.207 27.455 21.636 1.00 32.37 N
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ATOM 31 C5 DG A 2 18.083 26.212 22.142 1.00 15.06 C
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ATOM 32 C6 DG A 2 16.904 25.525 22.545 1.00 11.88 C
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ATOM 33 O6 DG A 2 15.739 25.916 22.518 1.00 21.30 O
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ATOM 34 N1 DG A 2 17.197 24.279 23.037 1.00 15.44 N
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ATOM 35 C2 DG A 2 18.434 23.717 23.155 1.00 9.63 C
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ATOM 36 N2 DG A 2 18.508 22.456 23.668 1.00 16.69 N
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ATOM 37 N3 DG A 2 19.537 24.360 22.770 1.00 30.98 N
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ATOM 38 C4 DG A 2 19.290 25.594 22.274 1.00 18.56 C
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ATOM 39 P DC A 3 25.064 25.621 19.252 1.00 44.67 P
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ATOM 40 OP1 DC A 3 26.506 25.316 19.220 1.00 53.89 O
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ATOM 41 OP2 DC A 3 24.559 26.412 18.115 1.00 57.79 O
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ATOM 42 O5' DC A 3 24.260 24.246 19.327 1.00 35.42 O
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ATOM 43 C5' DC A 3 24.584 23.285 20.335 1.00 45.75 C
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ATOM 44 C4' DC A 3 23.523 22.233 20.245 1.00 43.02 C
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ATOM 45 O4' DC A 3 22.256 22.844 20.453 1.00 36.85 O
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ATOM 46 C3' DC A 3 23.424 21.557 18.903 1.00 40.14 C
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ATOM 47 O3' DC A 3 24.121 20.309 18.928 1.00 49.62 O
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ATOM 48 C2' DC A 3 21.930 21.406 18.661 1.00 53.79 C
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ATOM 49 C1' DC A 3 21.278 21.966 19.909 1.00 22.18 C
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ATOM 50 N1 DC A 3 20.196 22.889 19.521 1.00 25.44 N
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ATOM 51 C2 DC A 3 18.909 22.584 19.816 1.00 19.81 C
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ATOM 52 O2 DC A 3 18.685 21.512 20.382 1.00 29.92 O
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ATOM 53 N3 DC A 3 17.935 23.447 19.502 1.00 21.59 N
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ATOM 54 C4 DC A 3 18.217 24.603 18.897 1.00 14.01 C
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ATOM 55 N4 DC A 3 17.221 25.499 18.629 1.00 26.88 N
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ATOM 56 C5 DC A 3 19.526 24.945 18.571 1.00 27.59 C
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ATOM 57 C6 DC A 3 20.537 24.048 18.899 1.00 27.05 C
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ATOM 58 P DG A 4 24.249 19.412 17.617 1.00 44.54 P
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ATOM 59 OP1 DG A 4 25.420 18.535 17.765 1.00 61.90 O
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ATOM 60 OP2 DG A 4 24.208 20.296 16.440 1.00 37.36 O
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ATOM 61 O5' DG A 4 22.931 18.537 17.670 1.00 32.01 O
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ATOM 62 C5' DG A 4 22.714 17.625 18.753 1.00 37.89 C
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ATOM 63 C4' DG A 4 21.393 16.960 18.505 1.00 53.00 C
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ATOM 64 O4' DG A 4 20.353 17.952 18.496 1.00 38.79 O
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ATOM 65 C3' DG A 4 21.264 16.229 17.176 1.00 56.72 C
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ATOM 66 O3' DG A 4 20.284 15.214 17.238 1.00 64.12 O
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ATOM 67 C2' DG A 4 20.793 17.368 16.288 1.00 40.81 C
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ATOM 68 C1' DG A 4 19.716 17.901 17.218 1.00 30.52 C
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ATOM 69 N9 DG A 4 19.305 19.281 16.869 1.00 28.53 N
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ATOM 70 C8 DG A 4 20.017 20.263 16.232 1.00 27.82 C
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ATOM 71 N7 DG A 4 19.313 21.394 16.077 1.00 28.01 N
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ATOM 72 C5 DG A 4 18.121 21.100 16.635 1.00 23.22 C
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ATOM 73 C6 DG A 4 16.952 21.904 16.749 1.00 29.21 C
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ATOM 74 O6 DG A 4 16.769 23.057 16.368 1.00 38.58 O
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ATOM 75 N1 DG A 4 15.933 21.214 17.352 1.00 27.94 N
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ATOM 76 C2 DG A 4 15.972 19.930 17.816 1.00 23.44 C
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ATOM 77 N2 DG A 4 14.831 19.416 18.353 1.00 42.64 N
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ATOM 78 N3 DG A 4 17.068 19.179 17.717 1.00 21.56 N
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ATOM 79 C4 DG A 4 18.084 19.825 17.121 1.00 23.44 C
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ATOM 80 P DA A 5 20.356 13.969 16.245 1.00 57.01 P
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ATOM 81 OP1 DA A 5 21.116 12.891 16.892 1.00 58.59 O
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ATOM 82 OP2 DA A 5 20.837 14.423 14.910 1.00 51.96 O
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ATOM 83 O5' DA A 5 18.810 13.581 16.161 1.00 47.12 O
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ATOM 84 C5' DA A 5 18.015 13.569 17.362 1.00 47.67 C
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ATOM 85 C4' DA A 5 16.672 14.088 16.957 1.00 64.79 C
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ATOM 86 O4' DA A 5 16.842 15.447 16.561 1.00 47.60 O
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ATOM 87 C3' DA A 5 16.019 13.393 15.764 1.00 51.50 C
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ATOM 88 O3' DA A 5 14.762 12.796 16.120 1.00 52.18 O
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ATOM 89 C2' DA A 5 15.952 14.498 14.696 1.00 45.00 C
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ATOM 90 C1' DA A 5 15.851 15.732 15.569 1.00 26.88 C
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ATOM 91 N9 DA A 5 16.391 16.916 14.867 1.00 16.69 N
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ATOM 92 C8 DA A 5 17.658 17.103 14.382 1.00 28.14 C
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ATOM 93 N7 DA A 5 17.863 18.346 13.913 1.00 34.85 N
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ATOM 94 C5 DA A 5 16.673 18.953 14.098 1.00 22.49 C
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ATOM 95 C6 DA A 5 16.230 20.279 13.819 1.00 18.12 C
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ATOM 96 N6 DA A 5 17.045 21.222 13.268 1.00 29.30 N
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ATOM 97 N1 DA A 5 14.966 20.578 14.118 1.00 27.61 N
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ATOM 98 C2 DA A 5 14.178 19.652 14.669 1.00 18.53 C
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ATOM 99 N3 DA A 5 14.463 18.392 14.984 1.00 29.16 N
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ATOM 100 C4 DA A 5 15.750 18.110 14.661 1.00 15.08 C
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ATOM 101 P DA A 6 13.866 12.006 15.063 1.00 43.68 P
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ATOM 102 OP1 DA A 6 13.028 11.039 15.800 1.00 42.55 O
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ATOM 103 OP2 DA A 6 14.715 11.499 13.968 1.00 54.20 O
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ATOM 104 O5' DA A 6 12.879 13.111 14.480 1.00 28.20 O
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ATOM 105 C5' DA A 6 11.802 13.597 15.290 1.00 42.29 C
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ATOM 106 C4' DA A 6 11.111 14.603 14.435 1.00 33.23 C
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ATOM 107 O4' DA A 6 12.152 15.460 13.962 1.00 41.48 O
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ATOM 108 C3' DA A 6 10.417 14.070 13.187 1.00 18.16 C
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ATOM 109 O3' DA A 6 9.007 14.369 13.181 1.00 30.42 O
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ATOM 110 C2' DA A 6 11.240 14.692 12.061 1.00 52.97 C
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ATOM 111 C1' DA A 6 11.699 15.974 12.719 1.00 38.93 C
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ATOM 112 N9 DA A 6 12.918 16.526 12.078 1.00 19.06 N
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ATOM 113 C8 DA A 6 14.115 15.899 11.868 1.00 17.83 C
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ATOM 114 N7 DA A 6 15.049 16.714 11.356 1.00 29.55 N
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ATOM 115 C5 DA A 6 14.416 17.901 11.246 1.00 19.88 C
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ATOM 116 C6 DA A 6 14.873 19.187 10.815 1.00 17.26 C
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ATOM 117 N6 DA A 6 16.161 19.418 10.427 1.00 19.85 N
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ATOM 118 N1 DA A 6 13.999 20.191 10.852 1.00 17.93 N
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ATOM 119 C2 DA A 6 12.753 19.962 11.272 1.00 23.00 C
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ATOM 120 N3 DA A 6 12.210 18.824 11.698 1.00 21.37 N
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ATOM 121 C4 DA A 6 13.116 17.823 11.657 1.00 15.93 C
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ATOM 122 P DT A 7 8.081 14.050 11.915 1.00 40.72 P
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ATOM 123 OP1 DT A 7 6.668 13.960 12.342 1.00 46.75 O
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ATOM 124 OP2 DT A 7 8.600 12.894 11.137 1.00 42.53 O
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ATOM 125 O5' DT A 7 8.239 15.387 11.076 1.00 35.21 O
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ATOM 126 C5' DT A 7 7.907 16.635 11.686 1.00 34.88 C
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ATOM 127 C4' DT A 7 8.162 17.628 10.598 1.00 31.45 C
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ATOM 128 O4' DT A 7 9.543 17.580 10.279 1.00 46.82 O
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ATOM 129 C3' DT A 7 7.461 17.284 9.296 1.00 23.76 C
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ATOM 130 O3' DT A 7 6.251 18.034 9.162 1.00 44.27 O
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ATOM 131 C2' DT A 7 8.532 17.527 8.223 1.00 26.30 C
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ATOM 132 C1' DT A 7 9.644 18.209 9.019 1.00 28.96 C
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ATOM 133 N1 DT A 7 11.021 17.903 8.565 1.00 20.47 N
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ATOM 134 C2 DT A 7 11.822 18.923 8.176 1.00 28.01 C
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ATOM 135 O2 DT A 7 11.383 20.077 8.143 1.00 40.01 O
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ATOM 136 N3 DT A 7 13.119 18.641 7.852 1.00 27.94 N
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ATOM 137 C4 DT A 7 13.633 17.372 7.882 1.00 15.14 C
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ATOM 138 O4 DT A 7 14.830 17.222 7.619 1.00 32.54 O
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ATOM 139 C5 DT A 7 12.781 16.325 8.235 1.00 10.83 C
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ATOM 140 C7 DT A 7 13.269 14.902 8.236 1.00 36.33 C
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ATOM 141 C6 DT A 7 11.465 16.616 8.594 1.00 12.19 C
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ATOM 142 P DT A 8 5.384 17.990 7.824 1.00 49.10 P
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ATOM 143 OP1 DT A 8 4.025 18.444 8.180 1.00 41.11 O
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ATOM 144 OP2 DT A 8 5.458 16.668 7.160 1.00 39.21 O
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ATOM 145 O5' DT A 8 6.086 19.118 6.927 1.00 48.80 O
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ATOM 146 C5' DT A 8 6.146 20.478 7.418 1.00 34.73 C
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ATOM 147 C4' DT A 8 6.995 21.229 6.438 1.00 28.73 C
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ATOM 148 O4' DT A 8 8.188 20.458 6.284 1.00 39.07 O
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ATOM 149 C3' DT A 8 6.418 21.332 5.029 1.00 37.88 C
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ATOM 150 O3' DT A 8 5.967 22.667 4.696 1.00 52.04 O
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ATOM 151 C2' DT A 8 7.513 20.718 4.139 1.00 32.80 C
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ATOM 152 C1' DT A 8 8.736 20.855 5.034 1.00 36.58 C
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ATOM 153 N1 DT A 8 9.823 19.876 4.759 1.00 24.57 N
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ATOM 154 C2 DT A 8 11.086 20.316 4.494 1.00 19.41 C
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ATOM 155 O2 DT A 8 11.324 21.516 4.389 1.00 32.74 O
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ATOM 156 N3 DT A 8 12.094 19.403 4.412 1.00 25.12 N
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ATOM 157 C4 DT A 8 11.876 18.060 4.551 1.00 31.35 C
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ATOM 158 O4 DT A 8 12.858 17.317 4.503 1.00 28.53 O
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ATOM 159 C5 DT A 8 10.569 17.611 4.765 1.00 22.80 C
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ATOM 160 C7 DT A 8 10.261 16.140 4.896 1.00 24.98 C
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ATOM 161 C6 DT A 8 9.545 18.548 4.904 1.00 20.28 C
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ATOM 162 P DC A 9 5.531 23.071 3.209 1.00 48.97 P
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ATOM 163 OP1 DC A 9 4.648 24.244 3.269 1.00 62.33 O
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ATOM 164 OP2 DC A 9 5.010 21.905 2.470 1.00 51.53 O
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ATOM 165 O5' DC A 9 6.926 23.547 2.611 1.00 43.99 O
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ATOM 166 C5' DC A 9 7.636 24.627 3.249 1.00 50.86 C
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ATOM 167 C4' DC A 9 8.897 24.853 2.457 1.00 46.66 C
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ATOM 168 O4' DC A 9 9.638 23.627 2.448 1.00 42.69 O
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ATOM 169 C3' DC A 9 8.717 25.240 0.998 1.00 56.96 C
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ATOM 170 O3' DC A 9 9.470 26.414 0.667 1.00 63.54 O
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ATOM 171 C2' DC A 9 9.126 23.965 0.253 1.00 50.41 C
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ATOM 172 C1' DC A 9 10.241 23.483 1.157 1.00 41.08 C
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ATOM 173 N1 DC A 9 10.524 22.022 1.015 1.00 37.23 N
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ATOM 174 C2 DC A 9 11.814 21.603 0.840 1.00 40.54 C
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ATOM 175 O2 DC A 9 12.691 22.447 0.670 1.00 43.89 O
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ATOM 176 N3 DC A 9 12.106 20.297 0.873 1.00 32.57 N
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ATOM 177 C4 DC A 9 11.141 19.395 1.046 1.00 24.65 C
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ATOM 178 N4 DC A 9 11.461 18.075 1.089 1.00 27.84 N
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ATOM 179 C5 DC A 9 9.803 19.775 1.177 1.00 17.61 C
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ATOM 180 C6 DC A 9 9.499 21.133 1.167 1.00 30.63 C
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ATOM 181 P DG A 10 9.055 27.333 -0.581 1.00 65.48 P
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ATOM 182 OP1 DG A 10 9.496 28.717 -0.258 1.00 59.09 O
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ATOM 183 OP2 DG A 10 7.632 27.106 -0.947 1.00 45.71 O
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ATOM 184 O5' DG A 10 9.954 26.765 -1.771 1.00 70.30 O
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ATOM 185 C5' DG A 10 11.382 26.940 -1.720 1.00 71.73 C
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ATOM 186 C4' DG A 10 11.972 26.090 -2.802 1.00 58.69 C
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ATOM 187 O4' DG A 10 11.802 24.724 -2.404 1.00 41.03 O
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ATOM 188 C3' DG A 10 11.327 26.178 -4.188 1.00 45.61 C
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ATOM 189 O3' DG A 10 12.311 26.096 -5.214 1.00 52.70 O
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ATOM 190 C2' DG A 10 10.414 24.962 -4.186 1.00 36.02 C
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ATOM 191 C1' DG A 10 11.429 24.028 -3.587 1.00 50.90 C
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ATOM 192 N9 DG A 10 10.890 22.713 -3.200 1.00 45.86 N
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ATOM 193 C8 DG A 10 9.616 22.315 -2.910 1.00 44.49 C
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ATOM 194 N7 DG A 10 9.541 21.009 -2.613 1.00 39.96 N
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ATOM 195 C5 DG A 10 10.818 20.588 -2.718 1.00 38.99 C
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ATOM 196 C6 DG A 10 11.376 19.292 -2.511 1.00 35.78 C
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ATOM 197 O6 DG A 10 10.813 18.252 -2.179 1.00 34.90 O
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ATOM 198 N1 DG A 10 12.729 19.299 -2.720 1.00 23.54 N
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ATOM 199 C2 DG A 10 13.498 20.365 -3.082 1.00 8.73 C
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ATOM 200 N2 DG A 10 14.834 20.169 -3.237 1.00 23.15 N
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ATOM 201 N3 DG A 10 12.982 21.573 -3.267 1.00 24.68 N
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ATOM 202 C4 DG A 10 11.656 21.601 -3.061 1.00 31.53 C
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ATOM 203 P DC A 11 12.763 27.421 -5.980 1.00 60.62 P
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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
|