USER MOD reduce.3.24.130724 H: found=0, std=0, add=202, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 204 hydrogens (24 hets) HEADER RNA 02-JAN-09 2KD4 TITLE SOLUTION STRUCTURE AND THERMODYNAMICS OF 2',5' RNA TITLE 2 INTERCALATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*CP*CP*GP*CP*GP*GP*C)-2'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHETIC 2',5' RNA KEYWDS PROFLAVINE, NMR, INTERCALATION, 2',5' RNA, RNA, NEAREST- KEYWDS 2 NEIGHBOR EXCLUSION EXPDTA SOLUTION NMR AUTHOR E.D.HOROWITZ,S.LILAVIVAT,B.W.HOLLADAY,M.W.GERMANN,N.V.HUD REVDAT 2 19-MAY-09 2KD4 1 JRNL REVDAT 1 07-APR-09 2KD4 0 JRNL AUTH E.D.HOROWITZ,S.LILAVIVAT,B.W.HOLLADAY,M.W.GERMANN, JRNL AUTH 2 N.V.HUD JRNL TITL SOLUTION STRUCTURE AND THERMODYNAMICS OF 2',5' RNA JRNL TITL 2 INTERCALATION. JRNL REF J.AM.CHEM.SOC. V. 131 5831 2009 JRNL REFN ISSN 0002-7863 JRNL PMID 19309071 JRNL DOI 10.1021/JA810068E REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, ... AND KOLLM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 300 RANDOM STRUCTURES WERE GENERATED REMARK 3 AND ANNEALED. THE LOWEST 10 ENERGY STRUCTURES WERE THEN RE- REMARK 3 ANNEALED REMARK 4 REMARK 4 2KD4 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JAN-09. REMARK 100 THE RCSB ID CODE IS RCSB100971. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 282; 282 REMARK 210 PH : 6.5; NULL REMARK 210 IONIC STRENGTH : 260; 130 REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 2 MM 2',5' RNA-1, 4 MM REMARK 210 PROFLAVINE-2, 60 MM SODIUM REMARK 210 PHOSPHATE-3, 200 MM SODIUM REMARK 210 CHLORIDE-4, 99.9% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY; 31P-1H HETCOR; REMARK 210 1H-1H TOCSY; 31P-DECOUPLED 1H- REMARK 210 1H COSY; 1H-1H NOESY WITH REMARK 210 WATERGATE WATER SUPPRESSION REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, SPARKY, AMBER REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 G A 1 O4' - C4' - C3' ANGL. DEV. = 7.3 DEGREES REMARK 500 G A 1 C5' - C4' - O4' ANGL. DEV. = 5.5 DEGREES REMARK 500 G A 1 N7 - C8 - N9 ANGL. DEV. = 3.2 DEGREES REMARK 500 C A 2 O4' - C4' - C3' ANGL. DEV. = 7.1 DEGREES REMARK 500 C A 2 C3' - C2' - C1' ANGL. DEV. = 6.1 DEGREES REMARK 500 C A 2 O4' - C1' - N1 ANGL. DEV. = -5.4 DEGREES REMARK 500 C A 2 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 C A 5 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 7 O5' - C5' - C4' ANGL. DEV. = 13.7 DEGREES REMARK 500 G A 7 C5' - C4' - C3' ANGL. DEV. = -10.4 DEGREES REMARK 500 G A 7 O4' - C1' - N9 ANGL. DEV. = -5.7 DEGREES REMARK 500 C A 8 O4' - C4' - C3' ANGL. DEV. = 5.0 DEGREES REMARK 500 C A 8 C5' - C4' - O4' ANGL. DEV. = 6.0 DEGREES REMARK 500 C A 8 C3' - C2' - C1' ANGL. DEV. = 5.4 DEGREES REMARK 500 C A 8 C6 - N1 - C1' ANGL. DEV. = -7.6 DEGREES REMARK 500 C A 8 C2 - N1 - C1' ANGL. DEV. = 8.1 DEGREES REMARK 500 G B 1 O4' - C4' - C3' ANGL. DEV. = 6.9 DEGREES REMARK 500 G B 1 C5' - C4' - O4' ANGL. DEV. = 6.0 DEGREES REMARK 500 C B 2 O4' - C4' - C3' ANGL. DEV. = 6.9 DEGREES REMARK 500 C B 2 C3' - C2' - C1' ANGL. DEV. = 5.4 DEGREES REMARK 500 C B 2 O4' - C1' - N1 ANGL. DEV. = -5.5 DEGREES REMARK 500 C B 2 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES REMARK 500 G B 6 C3' - C2' - C1' ANGL. DEV. = 5.0 DEGREES REMARK 500 G B 7 O4' - C1' - N9 ANGL. DEV. = -6.0 DEGREES REMARK 500 C B 8 C5' - C4' - O4' ANGL. DEV. = 6.5 DEGREES REMARK 500 C B 8 C3' - C2' - C1' ANGL. DEV. = 4.9 DEGREES REMARK 500 C B 8 C6 - N1 - C1' ANGL. DEV. = -7.8 DEGREES REMARK 500 C B 8 C2 - N1 - C1' ANGL. DEV. = 8.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 G A 1 0.08 SIDE_CHAIN REMARK 500 C A 2 0.12 SIDE_CHAIN REMARK 500 G A 4 0.13 SIDE_CHAIN REMARK 500 G A 6 0.15 SIDE_CHAIN REMARK 500 G A 7 0.09 SIDE_CHAIN REMARK 500 G B 1 0.07 SIDE_CHAIN REMARK 500 C B 2 0.12 SIDE_CHAIN REMARK 500 G B 4 0.12 SIDE_CHAIN REMARK 500 G B 6 0.12 SIDE_CHAIN REMARK 500 G B 7 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PRL B 17 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PRL A 17 DBREF 2KD4 A 1 8 PDB 2KD4 2KD4 1 8 DBREF 2KD4 B 1 8 PDB 2KD4 2KD4 1 8 SEQRES 1 A 8 G C C G C G G C SEQRES 1 B 8 G C C G C G G C HET PRL B 17 28 HET PRL A 17 28 HETNAM PRL PROFLAVIN FORMUL 3 PRL 2(C13 H11 N3) LINK O2' G A 1 P C A 2 1555 1555 1.61 LINK O2' C A 2 P C A 3 1555 1555 1.60 LINK O2' C A 3 P G A 4 1555 1555 1.63 LINK O2' G A 4 P C A 5 1555 1555 1.60 LINK O2' C A 5 P G A 6 1555 1555 1.61 LINK O2' G A 6 P G A 7 1555 1555 1.62 LINK O2' G A 7 P C A 8 1555 1555 1.60 LINK O2' G B 1 P C B 2 1555 1555 1.61 LINK O2' C B 2 P C B 3 1555 1555 1.61 LINK O2' C B 3 P G B 4 1555 1555 1.61 LINK O2' G B 4 P C B 5 1555 1555 1.60 LINK O2' C B 5 P G B 6 1555 1555 1.61 LINK O2' G B 6 P G B 7 1555 1555 1.60 LINK O2' G B 7 P C B 8 1555 1555 1.60 SITE *** AC1 5 G A 4 C A 5 G A 6 C B 3 SITE *** AC1 5 G B 4 SITE *** AC2 5 C A 2 C A 3 G A 4 C B 5 SITE *** AC2 5 G B 6 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O3' : rot -150:sc= -0.0139 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O3' : rot 144:sc= 0.791 USER MOD Single : A 3 C O3' : rot 38:sc= -0.108 USER MOD Single : A 4 G O3' : rot 130:sc= 1.27 USER MOD Single : A 5 C O3' : rot 179:sc= 1.04 USER MOD Single : A 6 G O3' : rot 102:sc= 0.162 USER MOD Single : A 7 G O3' : rot 133:sc= 0.0359 USER MOD Single : A 8 C O2' : rot -126:sc= 0.262 USER MOD Single : A 8 C O3' : rot 129:sc= 0.0498 USER MOD Single : B 1 G O3' : rot 101:sc= 0.0816 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O3' : rot 146:sc= 1.13 USER MOD Single : B 3 C O3' : rot -168:sc= 0.394 USER MOD Single : B 4 G O3' : rot 131:sc= 1.24 USER MOD Single : B 5 C O3' : rot -176:sc= 1.11 USER MOD Single : B 6 G O3' : rot 93:sc= 0.0436 USER MOD Single : B 7 G O3' : rot 137:sc= 0.0577 USER MOD Single : B 8 C O2' : rot -126:sc= 0.784 USER MOD Single : B 8 C O3' : rot 135:sc= 0.0436 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 34.831 35.878 15.340 1.00 0.00 O ATOM 2 C5' G A 1 34.598 34.655 16.031 1.00 0.00 C ATOM 3 C4' G A 1 35.832 33.762 16.051 1.00 0.00 C ATOM 4 O4' G A 1 36.734 34.012 17.091 1.00 0.00 O ATOM 5 C3' G A 1 35.644 32.295 15.762 1.00 0.00 C ATOM 6 O3' G A 1 36.115 31.963 14.444 1.00 0.00 O ATOM 7 C2' G A 1 36.325 31.657 16.958 1.00 0.00 C ATOM 8 O2' G A 1 37.202 30.636 16.513 1.00 0.00 O ATOM 9 C1' G A 1 37.143 32.763 17.583 1.00 0.00 C ATOM 10 N9 G A 1 37.029 32.867 19.049 1.00 0.00 N ATOM 11 C8 G A 1 37.922 32.260 19.837 1.00 0.00 C ATOM 12 N7 G A 1 37.878 32.568 21.105 1.00 0.00 N ATOM 13 C5 G A 1 36.857 33.539 21.147 1.00 0.00 C ATOM 14 C6 G A 1 36.337 34.342 22.235 1.00 0.00 C ATOM 15 O6 G A 1 36.613 34.329 23.437 1.00 0.00 O ATOM 16 N1 G A 1 35.401 35.270 21.828 1.00 0.00 N ATOM 17 C2 G A 1 34.983 35.415 20.546 1.00 0.00 C ATOM 18 N2 G A 1 34.212 36.440 20.278 1.00 0.00 N ATOM 19 N3 G A 1 35.392 34.668 19.526 1.00 0.00 N ATOM 20 C4 G A 1 36.341 33.742 19.877 1.00 0.00 C ATOM 0 H5' G A 1 33.774 34.123 15.556 1.00 0.00 H new ATOM 0 H5'' G A 1 34.291 34.871 17.054 1.00 0.00 H new ATOM 0 H4' G A 1 36.321 34.114 15.143 1.00 0.00 H new ATOM 0 H3' G A 1 34.620 31.929 15.689 1.00 0.00 H new ATOM 0 H2' G A 1 35.607 31.221 17.653 1.00 0.00 H new ATOM 0 HO3' G A 1 35.596 31.211 14.091 1.00 0.00 H new ATOM 0 HO5' G A 1 34.014 36.420 15.349 1.00 0.00 H new ATOM 0 H1' G A 1 38.170 32.505 17.323 1.00 0.00 H new ATOM 0 H8 G A 1 38.640 31.554 19.446 1.00 0.00 H new ATOM 0 H1 G A 1 34.998 35.885 22.535 1.00 0.00 H new ATOM 0 H21 G A 1 33.874 36.589 19.327 1.00 0.00 H new ATOM 0 H22 G A 1 33.950 37.089 21.020 1.00 0.00 H new ATOM 33 P C A 2 36.664 29.234 15.936 1.00 0.00 P ATOM 34 OP1 C A 2 35.200 29.267 15.704 1.00 0.00 O ATOM 35 OP2 C A 2 37.579 28.749 14.876 1.00 0.00 O ATOM 36 O5' C A 2 36.912 28.381 17.242 1.00 0.00 O ATOM 37 C5' C A 2 38.211 28.268 17.776 1.00 0.00 C ATOM 38 C4' C A 2 38.263 28.201 19.287 1.00 0.00 C ATOM 39 O4' C A 2 37.869 29.427 19.838 1.00 0.00 O ATOM 40 C3' C A 2 37.570 27.015 19.917 1.00 0.00 C ATOM 41 O3' C A 2 38.420 25.871 20.009 1.00 0.00 O ATOM 42 C2' C A 2 37.207 27.685 21.242 1.00 0.00 C ATOM 43 O2' C A 2 38.181 27.550 22.274 1.00 0.00 O ATOM 44 C1' C A 2 37.093 29.192 20.984 1.00 0.00 C ATOM 45 N1 C A 2 35.781 29.764 20.614 1.00 0.00 N ATOM 46 C2 C A 2 35.112 30.710 21.400 1.00 0.00 C ATOM 47 O2 C A 2 35.468 30.995 22.544 1.00 0.00 O ATOM 48 N3 C A 2 33.989 31.300 20.922 1.00 0.00 N ATOM 49 C4 C A 2 33.541 30.957 19.728 1.00 0.00 C ATOM 50 N4 C A 2 32.572 31.680 19.235 1.00 0.00 N ATOM 51 C5 C A 2 34.094 29.877 18.996 1.00 0.00 C ATOM 52 C6 C A 2 35.183 29.295 19.497 1.00 0.00 C ATOM 0 H5' C A 2 38.803 29.120 17.442 1.00 0.00 H new ATOM 0 H5'' C A 2 38.681 27.373 17.369 1.00 0.00 H new ATOM 0 H4' C A 2 39.307 28.019 19.541 1.00 0.00 H new ATOM 0 H3' C A 2 36.725 26.578 19.385 1.00 0.00 H new ATOM 0 H2' C A 2 36.292 27.198 21.579 1.00 0.00 H new ATOM 0 HO3' C A 2 38.226 25.385 20.838 1.00 0.00 H new ATOM 0 H1' C A 2 37.369 29.646 21.936 1.00 0.00 H new ATOM 0 H41 C A 2 32.188 31.460 18.316 1.00 0.00 H new ATOM 0 H42 C A 2 32.199 32.465 19.769 1.00 0.00 H new ATOM 0 H5 C A 2 33.651 29.540 18.071 1.00 0.00 H new ATOM 0 H6 C A 2 35.596 28.430 19.000 1.00 0.00 H new ATOM 64 P C A 3 38.160 26.349 23.324 1.00 0.00 P ATOM 65 OP1 C A 3 37.650 25.147 22.628 1.00 0.00 O ATOM 66 OP2 C A 3 39.491 26.298 23.974 1.00 0.00 O ATOM 67 O5' C A 3 37.079 26.766 24.439 1.00 0.00 O ATOM 68 C5' C A 3 36.356 27.988 24.382 1.00 0.00 C ATOM 69 C4' C A 3 35.338 28.128 25.499 1.00 0.00 C ATOM 70 O4' C A 3 34.316 29.059 25.193 1.00 0.00 O ATOM 71 C3' C A 3 34.662 26.838 25.913 1.00 0.00 C ATOM 72 O3' C A 3 34.613 26.698 27.335 1.00 0.00 O ATOM 73 C2' C A 3 33.370 26.834 25.182 1.00 0.00 C ATOM 74 O2' C A 3 32.339 26.042 25.765 1.00 0.00 O ATOM 75 C1' C A 3 33.113 28.326 25.044 1.00 0.00 C ATOM 76 N1 C A 3 32.474 28.637 23.768 1.00 0.00 N ATOM 77 C2 C A 3 31.363 29.460 23.646 1.00 0.00 C ATOM 78 O2 C A 3 30.862 30.004 24.629 1.00 0.00 O ATOM 79 N3 C A 3 30.805 29.665 22.424 1.00 0.00 N ATOM 80 C4 C A 3 31.321 29.040 21.375 1.00 0.00 C ATOM 81 N4 C A 3 30.681 29.176 20.248 1.00 0.00 N ATOM 82 C5 C A 3 32.495 28.243 21.481 1.00 0.00 C ATOM 83 C6 C A 3 33.030 28.100 22.671 1.00 0.00 C ATOM 0 H5' C A 3 35.845 28.057 23.422 1.00 0.00 H new ATOM 0 H5'' C A 3 37.057 28.821 24.431 1.00 0.00 H new ATOM 0 H4' C A 3 35.948 28.480 26.331 1.00 0.00 H new ATOM 0 H3' C A 3 35.211 25.937 25.639 1.00 0.00 H new ATOM 0 H2' C A 3 33.397 26.325 24.218 1.00 0.00 H new ATOM 0 HO3' C A 3 34.443 27.572 27.744 1.00 0.00 H new ATOM 0 H1' C A 3 32.430 28.621 25.841 1.00 0.00 H new ATOM 0 H41 C A 3 31.029 28.719 19.405 1.00 0.00 H new ATOM 0 H42 C A 3 29.832 29.740 20.209 1.00 0.00 H new ATOM 0 H5 C A 3 32.931 27.772 20.612 1.00 0.00 H new ATOM 0 H6 C A 3 33.944 27.534 22.770 1.00 0.00 H new ATOM 95 P G A 4 32.460 24.425 25.874 1.00 0.00 P ATOM 96 OP1 G A 4 31.601 23.888 24.801 1.00 0.00 O ATOM 97 OP2 G A 4 33.880 24.003 25.912 1.00 0.00 O ATOM 98 O5' G A 4 31.799 24.007 27.270 1.00 0.00 O ATOM 99 C5' G A 4 31.908 24.827 28.424 1.00 0.00 C ATOM 100 C4' G A 4 30.507 25.310 28.824 1.00 0.00 C ATOM 101 O4' G A 4 29.854 25.985 27.775 1.00 0.00 O ATOM 102 C3' G A 4 29.545 24.220 29.267 1.00 0.00 C ATOM 103 O3' G A 4 29.940 23.490 30.422 1.00 0.00 O ATOM 104 C2' G A 4 28.282 25.075 29.338 1.00 0.00 C ATOM 105 O2' G A 4 28.324 26.034 30.397 1.00 0.00 O ATOM 106 C1' G A 4 28.465 25.828 28.022 1.00 0.00 C ATOM 107 N9 G A 4 27.981 25.051 26.849 1.00 0.00 N ATOM 108 C8 G A 4 28.653 24.129 26.072 1.00 0.00 C ATOM 109 N7 G A 4 28.090 23.865 24.926 1.00 0.00 N ATOM 110 C5 G A 4 26.927 24.631 24.966 1.00 0.00 C ATOM 111 C6 G A 4 25.909 24.853 23.982 1.00 0.00 C ATOM 112 O6 G A 4 25.883 24.467 22.813 1.00 0.00 O ATOM 113 N1 G A 4 24.875 25.639 24.452 1.00 0.00 N ATOM 114 C2 G A 4 24.873 26.248 25.664 1.00 0.00 C ATOM 115 N2 G A 4 23.856 27.006 25.964 1.00 0.00 N ATOM 116 N3 G A 4 25.839 26.148 26.566 1.00 0.00 N ATOM 117 C4 G A 4 26.826 25.299 26.168 1.00 0.00 C ATOM 0 H5' G A 4 32.557 25.679 28.221 1.00 0.00 H new ATOM 0 H5'' G A 4 32.362 24.268 29.242 1.00 0.00 H new ATOM 0 H4' G A 4 30.725 25.964 29.669 1.00 0.00 H new ATOM 0 H3' G A 4 29.450 23.348 28.620 1.00 0.00 H new ATOM 0 H2' G A 4 27.365 24.508 29.495 1.00 0.00 H new ATOM 0 HO3' G A 4 29.197 23.461 31.061 1.00 0.00 H new ATOM 0 H1' G A 4 27.914 26.763 28.126 1.00 0.00 H new ATOM 0 H8 G A 4 29.574 23.662 26.389 1.00 0.00 H new ATOM 0 H1 G A 4 24.062 25.770 23.850 1.00 0.00 H new ATOM 0 H21 G A 4 23.822 27.479 26.867 1.00 0.00 H new ATOM 0 H22 G A 4 23.095 27.126 25.296 1.00 0.00 H new ATOM 129 P C A 5 27.846 25.699 31.887 1.00 0.00 P ATOM 130 OP1 C A 5 28.370 24.375 32.301 1.00 0.00 O ATOM 131 OP2 C A 5 28.075 26.883 32.751 1.00 0.00 O ATOM 132 O5' C A 5 26.299 25.552 31.587 1.00 0.00 O ATOM 133 C5' C A 5 25.517 26.694 31.291 1.00 0.00 C ATOM 134 C4' C A 5 24.186 26.323 30.659 1.00 0.00 C ATOM 135 O4' C A 5 24.327 25.878 29.327 1.00 0.00 O ATOM 136 C3' C A 5 23.512 25.221 31.469 1.00 0.00 C ATOM 137 O3' C A 5 22.326 25.747 32.062 1.00 0.00 O ATOM 138 C2' C A 5 23.329 24.047 30.498 1.00 0.00 C ATOM 139 O2' C A 5 22.048 23.456 30.639 1.00 0.00 O ATOM 140 C1' C A 5 23.545 24.710 29.149 1.00 0.00 C ATOM 141 N1 C A 5 24.261 23.812 28.233 1.00 0.00 N ATOM 142 C2 C A 5 23.697 23.535 26.991 1.00 0.00 C ATOM 143 O2 C A 5 22.623 24.012 26.644 1.00 0.00 O ATOM 144 N3 C A 5 24.328 22.725 26.123 1.00 0.00 N ATOM 145 C4 C A 5 25.471 22.188 26.474 1.00 0.00 C ATOM 146 N4 C A 5 26.027 21.438 25.572 1.00 0.00 N ATOM 147 C5 C A 5 26.072 22.427 27.735 1.00 0.00 C ATOM 148 C6 C A 5 25.447 23.249 28.597 1.00 0.00 C ATOM 0 H5' C A 5 26.070 27.347 30.616 1.00 0.00 H new ATOM 0 H5'' C A 5 25.339 27.259 32.206 1.00 0.00 H new ATOM 0 H4' C A 5 23.578 27.228 30.655 1.00 0.00 H new ATOM 0 H3' C A 5 24.088 24.851 32.317 1.00 0.00 H new ATOM 0 H2' C A 5 24.011 23.213 30.664 1.00 0.00 H new ATOM 0 HO3' C A 5 21.878 25.043 32.576 1.00 0.00 H new ATOM 0 H1' C A 5 22.571 24.953 28.725 1.00 0.00 H new ATOM 0 H41 C A 5 26.919 20.983 25.766 1.00 0.00 H new ATOM 0 H42 C A 5 25.572 21.304 24.669 1.00 0.00 H new ATOM 0 H5 C A 5 27.010 21.960 27.998 1.00 0.00 H new ATOM 0 H6 C A 5 25.879 23.460 29.564 1.00 0.00 H new ATOM 160 P G A 6 21.720 22.504 31.897 1.00 0.00 P ATOM 161 OP1 G A 6 22.772 21.462 31.930 1.00 0.00 O ATOM 162 OP2 G A 6 21.480 23.340 33.092 1.00 0.00 O ATOM 163 O5' G A 6 20.361 21.782 31.454 1.00 0.00 O ATOM 164 C5' G A 6 19.092 22.426 31.492 1.00 0.00 C ATOM 165 C4' G A 6 18.021 21.453 30.966 1.00 0.00 C ATOM 166 O4' G A 6 18.082 21.314 29.555 1.00 0.00 O ATOM 167 C3' G A 6 18.077 20.093 31.638 1.00 0.00 C ATOM 168 O3' G A 6 17.388 20.045 32.887 1.00 0.00 O ATOM 169 C2' G A 6 17.420 19.259 30.550 1.00 0.00 C ATOM 170 O2' G A 6 16.029 19.048 30.780 1.00 0.00 O ATOM 171 C1' G A 6 17.734 19.979 29.226 1.00 0.00 C ATOM 172 N9 G A 6 18.903 19.314 28.588 1.00 0.00 N ATOM 173 C8 G A 6 20.066 18.899 29.183 1.00 0.00 C ATOM 174 N7 G A 6 20.724 17.974 28.544 1.00 0.00 N ATOM 175 C5 G A 6 20.000 17.855 27.364 1.00 0.00 C ATOM 176 C6 G A 6 20.249 17.061 26.198 1.00 0.00 C ATOM 177 O6 G A 6 21.143 16.229 26.018 1.00 0.00 O ATOM 178 N1 G A 6 19.376 17.325 25.166 1.00 0.00 N ATOM 179 C2 G A 6 18.407 18.272 25.215 1.00 0.00 C ATOM 180 N2 G A 6 17.747 18.505 24.115 1.00 0.00 N ATOM 181 N3 G A 6 18.124 19.016 26.280 1.00 0.00 N ATOM 182 C4 G A 6 18.958 18.756 27.334 1.00 0.00 C ATOM 0 H5' G A 6 19.110 23.330 30.884 1.00 0.00 H new ATOM 0 H5'' G A 6 18.855 22.732 32.511 1.00 0.00 H new ATOM 0 H4' G A 6 17.062 21.901 31.226 1.00 0.00 H new ATOM 0 H3' G A 6 19.073 19.765 31.934 1.00 0.00 H new ATOM 0 H2' G A 6 17.817 18.244 30.530 1.00 0.00 H new ATOM 0 HO3' G A 6 16.516 19.614 32.763 1.00 0.00 H new ATOM 0 H1' G A 6 16.884 19.951 28.544 1.00 0.00 H new ATOM 0 H8 G A 6 20.413 19.311 30.119 1.00 0.00 H new ATOM 0 H1 G A 6 19.464 16.774 24.312 1.00 0.00 H new ATOM 0 H21 G A 6 17.009 19.209 24.103 1.00 0.00 H new ATOM 0 H22 G A 6 17.969 17.984 23.267 1.00 0.00 H new ATOM 194 P G A 7 15.410 17.552 30.797 1.00 0.00 P ATOM 195 OP1 G A 7 16.330 16.672 31.552 1.00 0.00 O ATOM 196 OP2 G A 7 14.002 17.665 31.245 1.00 0.00 O ATOM 197 O5' G A 7 15.389 17.054 29.262 1.00 0.00 O ATOM 198 C5' G A 7 15.691 17.966 28.219 1.00 0.00 C ATOM 199 C4' G A 7 15.115 17.914 26.805 1.00 0.00 C ATOM 200 O4' G A 7 15.776 17.035 25.940 1.00 0.00 O ATOM 201 C3' G A 7 13.731 17.385 26.976 1.00 0.00 C ATOM 202 O3' G A 7 12.770 18.043 26.156 1.00 0.00 O ATOM 203 C2' G A 7 13.862 15.870 26.839 1.00 0.00 C ATOM 204 O2' G A 7 12.756 15.217 26.228 1.00 0.00 O ATOM 205 C1' G A 7 15.068 15.820 25.941 1.00 0.00 C ATOM 206 N9 G A 7 16.107 14.847 26.292 1.00 0.00 N ATOM 207 C8 G A 7 16.599 14.651 27.547 1.00 0.00 C ATOM 208 N7 G A 7 17.739 14.012 27.587 1.00 0.00 N ATOM 209 C5 G A 7 18.018 13.755 26.238 1.00 0.00 C ATOM 210 C6 G A 7 19.137 13.102 25.601 1.00 0.00 C ATOM 211 O6 G A 7 20.158 12.626 26.108 1.00 0.00 O ATOM 212 N1 G A 7 19.011 13.020 24.229 1.00 0.00 N ATOM 213 C2 G A 7 17.984 13.558 23.531 1.00 0.00 C ATOM 214 N2 G A 7 18.026 13.398 22.231 1.00 0.00 N ATOM 215 N3 G A 7 16.955 14.209 24.074 1.00 0.00 N ATOM 216 C4 G A 7 17.014 14.258 25.436 1.00 0.00 C ATOM 0 H5' G A 7 16.774 17.935 28.100 1.00 0.00 H new ATOM 0 H5'' G A 7 15.441 18.954 28.606 1.00 0.00 H new ATOM 0 H4' G A 7 15.197 18.907 26.363 1.00 0.00 H new ATOM 0 H3' G A 7 13.305 17.605 27.955 1.00 0.00 H new ATOM 0 H2' G A 7 13.925 15.358 27.799 1.00 0.00 H new ATOM 0 HO3' G A 7 12.211 17.375 25.707 1.00 0.00 H new ATOM 0 H1' G A 7 14.602 15.555 24.992 1.00 0.00 H new ATOM 0 H8 G A 7 16.090 14.995 28.435 1.00 0.00 H new ATOM 0 H1 G A 7 19.736 12.524 23.710 1.00 0.00 H new ATOM 0 H21 G A 7 17.282 13.779 21.646 1.00 0.00 H new ATOM 0 H22 G A 7 18.802 12.892 21.804 1.00 0.00 H new ATOM 228 P C A 8 11.399 14.967 27.029 1.00 0.00 P ATOM 229 OP1 C A 8 10.841 16.265 27.477 1.00 0.00 O ATOM 230 OP2 C A 8 10.555 14.043 26.232 1.00 0.00 O ATOM 231 O5' C A 8 12.021 14.199 28.295 1.00 0.00 O ATOM 232 C5' C A 8 11.683 12.875 28.647 1.00 0.00 C ATOM 233 C4' C A 8 12.820 12.216 29.451 1.00 0.00 C ATOM 234 O4' C A 8 13.380 11.059 28.883 1.00 0.00 O ATOM 235 C3' C A 8 13.880 13.044 30.166 1.00 0.00 C ATOM 236 O3' C A 8 13.936 12.841 31.580 1.00 0.00 O ATOM 237 C2' C A 8 15.086 12.602 29.431 1.00 0.00 C ATOM 238 O2' C A 8 16.323 12.661 30.138 1.00 0.00 O ATOM 239 C1' C A 8 14.774 11.258 28.849 1.00 0.00 C ATOM 240 N1 C A 8 15.105 11.187 27.421 1.00 0.00 N ATOM 241 C2 C A 8 16.135 10.449 26.836 1.00 0.00 C ATOM 242 O2 C A 8 16.937 9.794 27.501 1.00 0.00 O ATOM 243 N3 C A 8 16.284 10.470 25.478 1.00 0.00 N ATOM 244 C4 C A 8 15.431 11.179 24.752 1.00 0.00 C ATOM 245 N4 C A 8 15.555 11.102 23.457 1.00 0.00 N ATOM 246 C5 C A 8 14.421 11.987 25.348 1.00 0.00 C ATOM 247 C6 C A 8 14.326 11.969 26.658 1.00 0.00 C ATOM 0 H5' C A 8 11.484 12.294 27.747 1.00 0.00 H new ATOM 0 H5'' C A 8 10.766 12.873 29.237 1.00 0.00 H new ATOM 0 H4' C A 8 12.170 11.946 30.284 1.00 0.00 H new ATOM 0 H3' C A 8 13.707 14.120 30.141 1.00 0.00 H new ATOM 0 H2' C A 8 15.289 13.328 28.644 1.00 0.00 H new ATOM 0 HO2' C A 8 16.974 13.174 29.616 1.00 0.00 H new ATOM 0 HO3' C A 8 14.860 12.656 31.848 1.00 0.00 H new ATOM 0 H1' C A 8 15.345 10.530 29.425 1.00 0.00 H new ATOM 0 H41 C A 8 14.924 11.628 22.852 1.00 0.00 H new ATOM 0 H42 C A 8 16.283 10.516 23.048 1.00 0.00 H new ATOM 0 H5 C A 8 13.759 12.591 24.746 1.00 0.00 H new ATOM 0 H6 C A 8 13.596 12.605 27.137 1.00 0.00 H new TER 260 C A 8 ATOM 261 O5' G B 1 23.363 7.247 27.264 1.00 0.00 O ATOM 262 C5' G B 1 23.937 8.268 26.450 1.00 0.00 C ATOM 263 C4' G B 1 24.344 7.749 25.086 1.00 0.00 C ATOM 264 O4' G B 1 23.310 7.249 24.294 1.00 0.00 O ATOM 265 C3' G B 1 25.338 8.577 24.305 1.00 0.00 C ATOM 266 O3' G B 1 26.648 7.992 24.327 1.00 0.00 O ATOM 267 C2' G B 1 24.626 8.763 22.988 1.00 0.00 C ATOM 268 O2' G B 1 25.519 8.437 21.932 1.00 0.00 O ATOM 269 C1' G B 1 23.517 7.742 22.999 1.00 0.00 C ATOM 270 N9 G B 1 22.201 8.263 22.599 1.00 0.00 N ATOM 271 C8 G B 1 21.761 8.103 21.346 1.00 0.00 C ATOM 272 N7 G B 1 20.507 8.404 21.138 1.00 0.00 N ATOM 273 C5 G B 1 20.070 8.796 22.420 1.00 0.00 C ATOM 274 C6 G B 1 18.777 9.219 22.912 1.00 0.00 C ATOM 275 O6 G B 1 17.714 9.382 22.304 1.00 0.00 O ATOM 276 N1 G B 1 18.752 9.457 24.272 1.00 0.00 N ATOM 277 C2 G B 1 19.831 9.338 25.081 1.00 0.00 C ATOM 278 N2 G B 1 19.637 9.495 26.365 1.00 0.00 N ATOM 279 N3 G B 1 21.048 8.992 24.670 1.00 0.00 N ATOM 280 C4 G B 1 21.110 8.713 23.329 1.00 0.00 C ATOM 0 H5' G B 1 24.809 8.685 26.954 1.00 0.00 H new ATOM 0 H5'' G B 1 23.220 9.080 26.329 1.00 0.00 H new ATOM 0 H4' G B 1 24.922 6.876 25.388 1.00 0.00 H new ATOM 0 H3' G B 1 25.593 9.558 24.707 1.00 0.00 H new ATOM 0 H2' G B 1 24.265 9.782 22.852 1.00 0.00 H new ATOM 0 HO3' G B 1 26.809 7.518 23.484 1.00 0.00 H new ATOM 0 HO5' G B 1 23.116 7.623 28.135 1.00 0.00 H new ATOM 0 H1' G B 1 23.856 6.991 22.286 1.00 0.00 H new ATOM 0 H8 G B 1 22.403 7.747 20.554 1.00 0.00 H new ATOM 0 H1 G B 1 17.867 9.740 24.693 1.00 0.00 H new ATOM 0 H21 G B 1 20.421 9.414 27.013 1.00 0.00 H new ATOM 0 H22 G B 1 18.702 9.698 26.718 1.00 0.00 H new ATOM 293 P C B 2 26.701 9.418 21.456 1.00 0.00 P ATOM 294 OP1 C B 2 26.997 10.413 22.515 1.00 0.00 O ATOM 295 OP2 C B 2 27.798 8.612 20.870 1.00 0.00 O ATOM 296 O5' C B 2 25.910 10.133 20.292 1.00 0.00 O ATOM 297 C5' C B 2 25.458 9.379 19.193 1.00 0.00 C ATOM 298 C4' C B 2 24.178 9.886 18.562 1.00 0.00 C ATOM 299 O4' C B 2 23.101 9.712 19.437 1.00 0.00 O ATOM 300 C3' C B 2 24.232 11.268 17.963 1.00 0.00 C ATOM 301 O3' C B 2 24.708 11.243 16.619 1.00 0.00 O ATOM 302 C2' C B 2 22.759 11.639 18.153 1.00 0.00 C ATOM 303 O2' C B 2 21.898 11.349 17.053 1.00 0.00 O ATOM 304 C1' C B 2 22.242 10.819 19.344 1.00 0.00 C ATOM 305 N1 C B 2 22.317 11.405 20.700 1.00 0.00 N ATOM 306 C2 C B 2 21.184 11.672 21.475 1.00 0.00 C ATOM 307 O2 C B 2 20.044 11.631 21.006 1.00 0.00 O ATOM 308 N3 C B 2 21.322 12.074 22.767 1.00 0.00 N ATOM 309 C4 C B 2 22.543 12.197 23.258 1.00 0.00 C ATOM 310 N4 C B 2 22.638 12.402 24.541 1.00 0.00 N ATOM 311 C5 C B 2 23.703 12.104 22.448 1.00 0.00 C ATOM 312 C6 C B 2 23.534 11.731 21.178 1.00 0.00 C ATOM 0 H5' C B 2 25.305 8.349 19.515 1.00 0.00 H new ATOM 0 H5'' C B 2 26.240 9.363 18.434 1.00 0.00 H new ATOM 0 H4' C B 2 24.027 9.261 17.682 1.00 0.00 H new ATOM 0 H3' C B 2 24.923 11.988 18.401 1.00 0.00 H new ATOM 0 H2' C B 2 22.735 12.721 18.285 1.00 0.00 H new ATOM 0 HO3' C B 2 24.258 11.941 16.099 1.00 0.00 H new ATOM 0 H1' C B 2 21.185 10.669 19.125 1.00 0.00 H new ATOM 0 H41 C B 2 23.556 12.505 24.975 1.00 0.00 H new ATOM 0 H42 C B 2 21.795 12.460 25.112 1.00 0.00 H new ATOM 0 H5 C B 2 24.683 12.326 22.843 1.00 0.00 H new ATOM 0 H6 C B 2 24.390 11.690 20.520 1.00 0.00 H new ATOM 324 P C B 3 21.697 12.350 15.810 1.00 0.00 P ATOM 325 OP1 C B 3 22.972 13.073 15.577 1.00 0.00 O ATOM 326 OP2 C B 3 21.105 11.565 14.702 1.00 0.00 O ATOM 327 O5' C B 3 20.613 13.443 16.258 1.00 0.00 O ATOM 328 C5' C B 3 20.009 13.430 17.542 1.00 0.00 C ATOM 329 C4' C B 3 19.129 14.647 17.760 1.00 0.00 C ATOM 330 O4' C B 3 18.811 14.832 19.124 1.00 0.00 O ATOM 331 C3' C B 3 19.685 15.962 17.236 1.00 0.00 C ATOM 332 O3' C B 3 18.705 16.680 16.488 1.00 0.00 O ATOM 333 C2' C B 3 20.260 16.651 18.422 1.00 0.00 C ATOM 334 O2' C B 3 20.284 18.073 18.322 1.00 0.00 O ATOM 335 C1' C B 3 19.435 16.034 19.534 1.00 0.00 C ATOM 336 N1 C B 3 20.270 15.811 20.706 1.00 0.00 N ATOM 337 C2 C B 3 19.906 16.217 21.981 1.00 0.00 C ATOM 338 O2 C B 3 18.825 16.760 22.211 1.00 0.00 O ATOM 339 N3 C B 3 20.761 16.013 23.014 1.00 0.00 N ATOM 340 C4 C B 3 21.951 15.486 22.773 1.00 0.00 C ATOM 341 N4 C B 3 22.775 15.433 23.776 1.00 0.00 N ATOM 342 C5 C B 3 22.315 15.023 21.480 1.00 0.00 C ATOM 343 C6 C B 3 21.440 15.175 20.514 1.00 0.00 C ATOM 0 H5' C B 3 20.784 13.399 18.308 1.00 0.00 H new ATOM 0 H5'' C B 3 19.413 12.525 17.655 1.00 0.00 H new ATOM 0 H4' C B 3 18.242 14.409 17.173 1.00 0.00 H new ATOM 0 H3' C B 3 20.479 15.841 16.499 1.00 0.00 H new ATOM 0 H2' C B 3 21.328 16.502 18.579 1.00 0.00 H new ATOM 0 HO3' C B 3 19.136 17.416 16.005 1.00 0.00 H new ATOM 0 H1' C B 3 18.640 16.734 19.791 1.00 0.00 H new ATOM 0 H41 C B 3 23.707 15.037 23.650 1.00 0.00 H new ATOM 0 H42 C B 3 22.490 15.787 24.689 1.00 0.00 H new ATOM 0 H5 C B 3 23.275 14.563 21.299 1.00 0.00 H new ATOM 0 H6 C B 3 21.666 14.778 19.535 1.00 0.00 H new ATOM 355 P G B 4 21.215 18.808 17.229 1.00 0.00 P ATOM 356 OP1 G B 4 22.574 18.891 17.800 1.00 0.00 O ATOM 357 OP2 G B 4 21.032 18.204 15.889 1.00 0.00 O ATOM 358 O5' G B 4 20.633 20.283 17.154 1.00 0.00 O ATOM 359 C5' G B 4 19.248 20.534 16.952 1.00 0.00 C ATOM 360 C4' G B 4 18.828 21.617 17.950 1.00 0.00 C ATOM 361 O4' G B 4 19.178 21.238 19.257 1.00 0.00 O ATOM 362 C3' G B 4 19.472 22.976 17.727 1.00 0.00 C ATOM 363 O3' G B 4 19.103 23.632 16.517 1.00 0.00 O ATOM 364 C2' G B 4 19.062 23.617 19.049 1.00 0.00 C ATOM 365 O2' G B 4 17.658 23.850 19.091 1.00 0.00 O ATOM 366 C1' G B 4 19.385 22.444 19.961 1.00 0.00 C ATOM 367 N9 G B 4 20.815 22.423 20.359 1.00 0.00 N ATOM 368 C8 G B 4 21.911 21.919 19.693 1.00 0.00 C ATOM 369 N7 G B 4 22.994 21.824 20.413 1.00 0.00 N ATOM 370 C5 G B 4 22.589 22.333 21.650 1.00 0.00 C ATOM 371 C6 G B 4 23.271 22.413 22.905 1.00 0.00 C ATOM 372 O6 G B 4 24.369 21.955 23.210 1.00 0.00 O ATOM 373 N1 G B 4 22.522 23.040 23.884 1.00 0.00 N ATOM 374 C2 G B 4 21.235 23.443 23.723 1.00 0.00 C ATOM 375 N2 G B 4 20.620 23.983 24.738 1.00 0.00 N ATOM 376 N3 G B 4 20.539 23.302 22.603 1.00 0.00 N ATOM 377 C4 G B 4 21.279 22.760 21.596 1.00 0.00 C ATOM 0 H5' G B 4 18.667 19.625 17.105 1.00 0.00 H new ATOM 0 H5'' G B 4 19.063 20.862 15.929 1.00 0.00 H new ATOM 0 H4' G B 4 17.752 21.711 17.800 1.00 0.00 H new ATOM 0 H3' G B 4 20.546 22.991 17.542 1.00 0.00 H new ATOM 0 H2' G B 4 19.532 24.575 19.270 1.00 0.00 H new ATOM 0 HO3' G B 4 18.847 24.558 16.712 1.00 0.00 H new ATOM 0 H1' G B 4 18.747 22.546 20.838 1.00 0.00 H new ATOM 0 H8 G B 4 21.876 21.625 18.654 1.00 0.00 H new ATOM 0 H1 G B 4 22.965 23.211 24.787 1.00 0.00 H new ATOM 0 H21 G B 4 19.653 24.294 24.642 1.00 0.00 H new ATOM 0 H22 G B 4 21.106 24.095 25.628 1.00 0.00 H new ATOM 389 P C B 5 17.006 25.211 18.574 1.00 0.00 P ATOM 390 OP1 C B 5 17.715 25.696 17.369 1.00 0.00 O ATOM 391 OP2 C B 5 15.526 25.060 18.553 1.00 0.00 O ATOM 392 O5' C B 5 17.427 26.120 19.797 1.00 0.00 O ATOM 393 C5' C B 5 16.819 25.946 21.068 1.00 0.00 C ATOM 394 C4' C B 5 17.600 26.668 22.160 1.00 0.00 C ATOM 395 O4' C B 5 18.826 26.012 22.440 1.00 0.00 O ATOM 396 C3' C B 5 17.893 28.095 21.703 1.00 0.00 C ATOM 397 O3' C B 5 17.246 28.986 22.613 1.00 0.00 O ATOM 398 C2' C B 5 19.418 28.190 21.622 1.00 0.00 C ATOM 399 O2' C B 5 19.896 29.414 22.154 1.00 0.00 O ATOM 400 C1' C B 5 19.865 26.973 22.410 1.00 0.00 C ATOM 401 N1 C B 5 21.061 26.397 21.795 1.00 0.00 N ATOM 402 C2 C B 5 22.219 26.285 22.557 1.00 0.00 C ATOM 403 O2 C B 5 22.264 26.644 23.730 1.00 0.00 O ATOM 404 N3 C B 5 23.333 25.755 22.017 1.00 0.00 N ATOM 405 C4 C B 5 23.316 25.390 20.757 1.00 0.00 C ATOM 406 N4 C B 5 24.417 24.847 20.327 1.00 0.00 N ATOM 407 C5 C B 5 22.174 25.530 19.932 1.00 0.00 C ATOM 408 C6 C B 5 21.057 26.032 20.485 1.00 0.00 C ATOM 0 H5' C B 5 16.760 24.883 21.303 1.00 0.00 H new ATOM 0 H5'' C B 5 15.797 26.323 21.039 1.00 0.00 H new ATOM 0 H4' C B 5 16.997 26.670 23.068 1.00 0.00 H new ATOM 0 H3' C B 5 17.503 28.371 20.723 1.00 0.00 H new ATOM 0 H2' C B 5 19.810 28.191 20.605 1.00 0.00 H new ATOM 0 HO3' C B 5 17.365 29.909 22.307 1.00 0.00 H new ATOM 0 H1' C B 5 20.100 27.274 23.431 1.00 0.00 H new ATOM 0 H41 C B 5 24.487 24.535 19.358 1.00 0.00 H new ATOM 0 H42 C B 5 25.210 24.733 20.958 1.00 0.00 H new ATOM 0 H5 C B 5 22.200 25.242 18.891 1.00 0.00 H new ATOM 0 H6 C B 5 20.161 26.145 19.892 1.00 0.00 H new ATOM 420 P G B 6 19.673 30.792 21.361 1.00 0.00 P ATOM 421 OP1 G B 6 20.261 30.595 20.015 1.00 0.00 O ATOM 422 OP2 G B 6 18.265 31.226 21.495 1.00 0.00 O ATOM 423 O5' G B 6 20.617 31.799 22.170 1.00 0.00 O ATOM 424 C5' G B 6 20.348 32.204 23.514 1.00 0.00 C ATOM 425 C4' G B 6 21.490 33.091 24.035 1.00 0.00 C ATOM 426 O4' G B 6 22.647 32.343 24.418 1.00 0.00 O ATOM 427 C3' G B 6 21.865 34.200 23.064 1.00 0.00 C ATOM 428 O3' G B 6 21.017 35.349 23.142 1.00 0.00 O ATOM 429 C2' G B 6 23.276 34.444 23.564 1.00 0.00 C ATOM 430 O2' G B 6 23.378 35.352 24.650 1.00 0.00 O ATOM 431 C1' G B 6 23.793 33.105 24.070 1.00 0.00 C ATOM 432 N9 G B 6 24.585 32.382 23.041 1.00 0.00 N ATOM 433 C8 G B 6 24.338 32.226 21.704 1.00 0.00 C ATOM 434 N7 G B 6 25.363 31.842 20.990 1.00 0.00 N ATOM 435 C5 G B 6 26.354 31.637 21.956 1.00 0.00 C ATOM 436 C6 G B 6 27.699 31.132 21.855 1.00 0.00 C ATOM 437 O6 G B 6 28.329 30.813 20.845 1.00 0.00 O ATOM 438 N1 G B 6 28.315 30.979 23.081 1.00 0.00 N ATOM 439 C2 G B 6 27.706 31.204 24.268 1.00 0.00 C ATOM 440 N2 G B 6 28.359 30.908 25.353 1.00 0.00 N ATOM 441 N3 G B 6 26.464 31.646 24.406 1.00 0.00 N ATOM 442 C4 G B 6 25.845 31.867 23.215 1.00 0.00 C ATOM 0 H5' G B 6 20.238 31.327 24.152 1.00 0.00 H new ATOM 0 H5'' G B 6 19.405 32.749 23.556 1.00 0.00 H new ATOM 0 H4' G B 6 21.094 33.562 24.935 1.00 0.00 H new ATOM 0 H3' G B 6 21.771 33.957 22.006 1.00 0.00 H new ATOM 0 H2' G B 6 23.836 34.877 22.735 1.00 0.00 H new ATOM 0 HO3' G B 6 21.405 36.000 23.763 1.00 0.00 H new ATOM 0 H1' G B 6 24.461 33.261 24.917 1.00 0.00 H new ATOM 0 H8 G B 6 23.366 32.407 21.270 1.00 0.00 H new ATOM 0 H1 G B 6 29.289 30.678 23.093 1.00 0.00 H new ATOM 0 H21 G B 6 27.930 31.065 26.265 1.00 0.00 H new ATOM 0 H22 G B 6 29.300 30.519 25.292 1.00 0.00 H new ATOM 454 P G B 7 24.134 36.751 24.477 1.00 0.00 P ATOM 455 OP1 G B 7 23.669 37.365 23.209 1.00 0.00 O ATOM 456 OP2 G B 7 23.964 37.509 25.742 1.00 0.00 O ATOM 457 O5' G B 7 25.711 36.426 24.308 1.00 0.00 O ATOM 458 C5' G B 7 26.277 35.114 24.320 1.00 0.00 C ATOM 459 C4' G B 7 26.778 34.446 25.620 1.00 0.00 C ATOM 460 O4' G B 7 28.062 33.928 25.369 1.00 0.00 O ATOM 461 C3' G B 7 27.004 35.436 26.719 1.00 0.00 C ATOM 462 O3' G B 7 26.749 34.896 28.011 1.00 0.00 O ATOM 463 C2' G B 7 28.381 36.036 26.495 1.00 0.00 C ATOM 464 O2' G B 7 29.094 36.409 27.669 1.00 0.00 O ATOM 465 C1' G B 7 29.026 34.832 25.861 1.00 0.00 C ATOM 466 N9 G B 7 29.824 35.126 24.651 1.00 0.00 N ATOM 467 C8 G B 7 29.375 35.906 23.619 1.00 0.00 C ATOM 468 N7 G B 7 30.008 35.740 22.492 1.00 0.00 N ATOM 469 C5 G B 7 30.963 34.759 22.805 1.00 0.00 C ATOM 470 C6 G B 7 31.911 34.074 21.967 1.00 0.00 C ATOM 471 O6 G B 7 32.080 34.142 20.750 1.00 0.00 O ATOM 472 N1 G B 7 32.711 33.197 22.660 1.00 0.00 N ATOM 473 C2 G B 7 32.566 32.914 23.974 1.00 0.00 C ATOM 474 N2 G B 7 33.420 32.051 24.465 1.00 0.00 N ATOM 475 N3 G B 7 31.652 33.470 24.781 1.00 0.00 N ATOM 476 C4 G B 7 30.878 34.400 24.135 1.00 0.00 C ATOM 0 H5' G B 7 27.121 35.130 23.631 1.00 0.00 H new ATOM 0 H5'' G B 7 25.529 34.446 23.892 1.00 0.00 H new ATOM 0 H4' G B 7 26.028 33.710 25.909 1.00 0.00 H new ATOM 0 H3' G B 7 26.278 36.249 26.687 1.00 0.00 H new ATOM 0 H2' G B 7 28.358 36.974 25.940 1.00 0.00 H new ATOM 0 HO3' G B 7 27.458 35.175 28.628 1.00 0.00 H new ATOM 0 H1' G B 7 29.646 34.445 26.669 1.00 0.00 H new ATOM 0 H8 G B 7 28.559 36.605 23.730 1.00 0.00 H new ATOM 0 H1 G B 7 33.461 32.730 22.151 1.00 0.00 H new ATOM 0 H21 G B 7 33.371 31.789 25.450 1.00 0.00 H new ATOM 0 H22 G B 7 34.134 31.641 23.863 1.00 0.00 H new ATOM 488 P C B 8 28.686 37.710 28.508 1.00 0.00 P ATOM 489 OP1 C B 8 27.281 37.580 28.968 1.00 0.00 O ATOM 490 OP2 C B 8 29.750 37.978 29.499 1.00 0.00 O ATOM 491 O5' C B 8 28.745 38.802 27.333 1.00 0.00 O ATOM 492 C5' C B 8 29.821 39.714 27.194 1.00 0.00 C ATOM 493 C4' C B 8 29.972 40.197 25.737 1.00 0.00 C ATOM 494 O4' C B 8 31.284 40.200 25.210 1.00 0.00 O ATOM 495 C3' C B 8 28.984 39.827 24.648 1.00 0.00 C ATOM 496 O3' C B 8 28.415 40.932 23.944 1.00 0.00 O ATOM 497 C2' C B 8 29.848 38.961 23.815 1.00 0.00 C ATOM 498 O2' C B 8 29.428 38.791 22.459 1.00 0.00 O ATOM 499 C1' C B 8 31.249 39.442 24.020 1.00 0.00 C ATOM 500 N1 C B 8 32.168 38.330 24.278 1.00 0.00 N ATOM 501 C2 C B 8 33.207 37.895 23.454 1.00 0.00 C ATOM 502 O2 C B 8 33.413 38.390 22.349 1.00 0.00 O ATOM 503 N3 C B 8 33.992 36.854 23.865 1.00 0.00 N ATOM 504 C4 C B 8 33.749 36.294 25.045 1.00 0.00 C ATOM 505 N4 C B 8 34.532 35.307 25.383 1.00 0.00 N ATOM 506 C5 C B 8 32.647 36.695 25.854 1.00 0.00 C ATOM 507 C6 C B 8 31.901 37.684 25.422 1.00 0.00 C ATOM 0 H5' C B 8 30.746 39.238 27.518 1.00 0.00 H new ATOM 0 H5'' C B 8 29.659 40.571 27.847 1.00 0.00 H new ATOM 0 H4' C B 8 29.648 41.203 26.002 1.00 0.00 H new ATOM 0 H3' C B 8 28.072 39.356 25.016 1.00 0.00 H new ATOM 0 H2' C B 8 29.770 37.924 24.142 1.00 0.00 H new ATOM 0 HO2' C B 8 29.358 37.835 22.256 1.00 0.00 H new ATOM 0 HO3' C B 8 28.424 40.747 22.982 1.00 0.00 H new ATOM 0 H1' C B 8 31.538 39.993 23.125 1.00 0.00 H new ATOM 0 H41 C B 8 34.399 34.833 26.277 1.00 0.00 H new ATOM 0 H42 C B 8 35.277 35.009 24.754 1.00 0.00 H new ATOM 0 H5 C B 8 32.433 36.202 26.791 1.00 0.00 H new ATOM 0 H6 C B 8 31.045 37.987 26.006 1.00 0.00 H new TER 520 C B 8 HETATM 521 C1 PRL B 17 20.497 19.974 22.662 1.00 0.00 C HETATM 522 C2 PRL B 17 21.007 19.352 21.509 1.00 0.00 C HETATM 523 C3 PRL B 17 22.231 18.703 21.566 1.00 0.00 C HETATM 524 C4 PRL B 17 22.970 18.652 22.729 1.00 0.00 C HETATM 525 C5 PRL B 17 23.646 19.776 27.294 1.00 0.00 C HETATM 526 C6 PRL B 17 23.225 20.390 28.452 1.00 0.00 C HETATM 527 C7 PRL B 17 22.019 21.059 28.483 1.00 0.00 C HETATM 528 C8 PRL B 17 21.207 21.123 27.367 1.00 0.00 C HETATM 529 C9 PRL B 17 20.811 20.553 25.047 1.00 0.00 C HETATM 530 N10 PRL B 17 23.245 19.216 25.002 1.00 0.00 N HETATM 531 C11 PRL B 17 22.481 19.273 23.877 1.00 0.00 C HETATM 532 C12 PRL B 17 21.613 20.498 26.183 1.00 0.00 C HETATM 533 C13 PRL B 17 21.240 19.940 23.864 1.00 0.00 C HETATM 534 C14 PRL B 17 22.844 19.825 26.149 1.00 0.00 C HETATM 535 N15 PRL B 17 22.757 18.110 20.489 1.00 0.00 N HETATM 536 N16 PRL B 17 23.998 20.338 29.549 1.00 0.00 N HETATM 0 HNG2 PRL B 17 23.692 20.791 30.410 1.00 0.00 H new HETATM 0 HNG1 PRL B 17 24.891 19.846 29.521 1.00 0.00 H new HETATM 0 HNF2 PRL B 17 23.659 17.639 20.556 1.00 0.00 H new HETATM 0 HNF1 PRL B 17 22.256 18.129 19.601 1.00 0.00 H new HETATM 0 H9 PRL B 17 19.853 21.071 25.078 1.00 0.00 H new HETATM 0 H8 PRL B 17 20.257 21.656 27.409 1.00 0.00 H new HETATM 0 H7 PRL B 17 21.701 21.546 29.405 1.00 0.00 H new HETATM 0 H5 PRL B 17 24.602 19.253 27.269 1.00 0.00 H new HETATM 0 H4 PRL B 17 23.927 18.131 22.750 1.00 0.00 H new HETATM 0 H2 PRL B 17 20.444 19.380 20.576 1.00 0.00 H new HETATM 0 H1 PRL B 17 19.532 20.481 22.629 1.00 0.00 H new HETATM 549 C1 PRL A 17 23.903 29.332 22.787 1.00 0.00 C HETATM 550 C2 PRL A 17 23.086 29.451 21.684 1.00 0.00 C HETATM 551 C3 PRL A 17 23.449 28.920 20.464 1.00 0.00 C HETATM 552 C4 PRL A 17 24.644 28.249 20.328 1.00 0.00 C HETATM 553 C5 PRL A 17 28.755 26.708 22.192 1.00 0.00 C HETATM 554 C6 PRL A 17 29.597 26.532 23.266 1.00 0.00 C HETATM 555 C7 PRL A 17 29.279 27.015 24.521 1.00 0.00 C HETATM 556 C8 PRL A 17 28.077 27.700 24.721 1.00 0.00 C HETATM 557 C9 PRL A 17 25.964 28.548 23.772 1.00 0.00 C HETATM 558 N10 PRL A 17 26.702 27.495 21.307 1.00 0.00 N HETATM 559 C11 PRL A 17 25.497 28.123 21.431 1.00 0.00 C HETATM 560 C12 PRL A 17 27.191 27.883 23.637 1.00 0.00 C HETATM 561 C13 PRL A 17 25.128 28.667 22.668 1.00 0.00 C HETATM 562 C14 PRL A 17 27.542 27.379 22.368 1.00 0.00 C HETATM 563 N15 PRL A 17 22.659 29.093 19.393 1.00 0.00 N HETATM 564 N16 PRL A 17 30.728 25.852 23.047 1.00 0.00 N HETATM 0 HNG2 PRL A 17 31.385 25.695 23.811 1.00 0.00 H new HETATM 0 HNG1 PRL A 17 30.933 25.490 22.116 1.00 0.00 H new HETATM 0 HNF2 PRL A 17 22.929 28.700 18.491 1.00 0.00 H new HETATM 0 HNF1 PRL A 17 21.789 29.618 19.481 1.00 0.00 H new HETATM 0 H9 PRL A 17 25.669 28.968 24.734 1.00 0.00 H new HETATM 0 H8 PRL A 17 27.825 28.090 25.707 1.00 0.00 H new HETATM 0 H7 PRL A 17 29.965 26.862 25.354 1.00 0.00 H new HETATM 0 H5 PRL A 17 29.033 26.326 21.210 1.00 0.00 H new HETATM 0 H4 PRL A 17 24.924 27.818 19.367 1.00 0.00 H new HETATM 0 H2 PRL A 17 22.135 29.975 21.777 1.00 0.00 H new HETATM 0 H1 PRL A 17 23.597 29.753 23.745 1.00 0.00 H new CONECT 8 33 CONECT 33 8 CONECT 43 64 CONECT 64 43 CONECT 74 95 CONECT 95 74 CONECT 105 129 CONECT 129 105 CONECT 139 160 CONECT 160 139 CONECT 170 194 CONECT 194 170 CONECT 204 228 CONECT 228 204 CONECT 268 293 CONECT 293 268 CONECT 303 324 CONECT 324 303 CONECT 334 355 CONECT 355 334 CONECT 365 389 CONECT 389 365 CONECT 399 420 CONECT 420 399 CONECT 430 454 CONECT 454 430 CONECT 464 488 CONECT 488 464 CONECT 521 522 533 537 CONECT 522 521 523 538 CONECT 523 522 524 535 CONECT 524 523 531 539 CONECT 525 526 534 540 CONECT 526 525 527 536 CONECT 527 526 528 541 CONECT 528 527 532 542 CONECT 529 532 533 543 CONECT 530 531 534 CONECT 531 524 530 533 CONECT 532 528 529 534 CONECT 533 521 529 531 CONECT 534 525 530 532 CONECT 535 523 544 545 CONECT 536 526 546 547 CONECT 537 521 CONECT 538 522 CONECT 539 524 CONECT 540 525 CONECT 541 527 CONECT 542 528 CONECT 543 529 CONECT 544 535 CONECT 545 535 CONECT 546 536 CONECT 547 536 CONECT 549 550 561 565 CONECT 550 549 551 566 CONECT 551 550 552 563 CONECT 552 551 559 567 CONECT 553 554 562 568 CONECT 554 553 555 564 CONECT 555 554 556 569 CONECT 556 555 560 570 CONECT 557 560 561 571 CONECT 558 559 562 CONECT 559 552 558 561 CONECT 560 556 557 562 CONECT 561 549 557 559 CONECT 562 553 558 560 CONECT 563 551 572 573 CONECT 564 554 574 575 CONECT 565 549 CONECT 566 550 CONECT 567 552 CONECT 568 553 CONECT 569 555 CONECT 570 556 CONECT 571 557 CONECT 572 563 CONECT 573 563 CONECT 574 564 CONECT 575 564 END