USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 346 hydrogens (162 hets) HEADER DNA 11-JUN-99 1CP8 TITLE NMR STRUCTURE OF DNA (5'-D(TTGGCCAA)2-3') COMPLEXED WITH TITLE 2 NOVEL ANTITUMOR DRUG UCH9 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(P*TP*TP*GP*GP*CP*CP*AP*A)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: TWO MOLECULES OF THE DRUG UCH9 (DDA-DXA-DDA- COMPND 6 DDL-DRI-DDA) BOUND IN THE MINOR GROOVE THE MODEL CONTAINS COMPND 7 TWO MOLECULES OF UCH9 AND ONE MG CATION WHICH IS COMPND 8 COORDINATED TO TWO UCH9 MOLECULES. IN THIS ENTRY UCH9 IS COMPND 9 PRESENTED AS HET GROUP, DDA-DXA-DDA-DDL-DRI-DDA. THESE COMPND 0 GROUPS ARE NUMBERED 1-6 FOR ONE UCH9 AND 7-12 FOR COMPND 1 THE OTHER UCH9. SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA EXPDTA SOLUTION NMR AUTHOR R.KATAHIRA,M.KATAHIRA,Y.YAMASHITA,H.OGAWA,Y.KYOGOKU, AUTHOR 2 M.YOSHIDA REVDAT 2 24-FEB-09 1CP8 1 VERSN REVDAT 1 01-JUL-99 1CP8 0 JRNL AUTH R.KATAHIRA,M.KATAHIRA,Y.YAMASHITA,H.OGAWA, JRNL AUTH 2 Y.KYOGOKU,M.YOSHIDA JRNL TITL SOLUTION STRUCTURE OF THE NOVEL ANTITUMOR DRUG JRNL TITL 2 UCH9 COMPLEXED WITH D(TTGGCCAA)2 AS DETERMINED BY JRNL TITL 3 NMR. JRNL REF NUCLEIC ACIDS RES. V. 26 744 1998 JRNL REFN ISSN 0305-1048 JRNL PMID 9443966 JRNL DOI 10.1093/NAR/26.3.744 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. THE ABSOLUTE CONFIGURATION OF THE REMARK 3 HYDROPHILIC SIDECHAIN HAS NOT BEEN DETERMINED. IN THIS MODEL, REMARK 3 IT WAS SET TO THE SAME CONFIGURATION AS THAT OF THE OTHER REMARK 3 AUREOLIC ACID GROUP COMPOUNDS, SUCH AS CHROMOMYCIN A3. REMARK 4 REMARK 4 1CP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUN-99. REMARK 100 THE RCSB ID CODE IS RCSB001176. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 10% WATER/90% D2O, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, DQF-COSY, TOCSY, E.COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: BEST STRUCTURE 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 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA A 7 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA A 8 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 8 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT B 1 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DG B 3 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG B 3 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES REMARK 500 DG B 3 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG B 4 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES REMARK 500 DG B 4 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DG B 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 DC B 5 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC B 6 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA B 7 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA B 7 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 8 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 8 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA B 8 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 DDA B 9 REMARK 610 DDL B 10 REMARK 610 DDA B 12 REMARK 610 DDA A 9 REMARK 610 DDL A 10 REMARK 610 DDA A 12 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG B 14 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DXA A 14 O1 REMARK 620 2 DXA B 15 O9 89.4 REMARK 620 3 DXA B 15 O1 75.2 63.1 REMARK 620 4 DXA A 14 O9 59.7 146.4 94.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 9 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL B 10 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DRI B 11 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 12 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 9 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL A 10 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DRI A 11 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 12 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 13 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 13 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 14 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXA B 15 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXA A 14 DBREF 1CP8 A 1 8 PDB 1CP8 1CP8 1 8 DBREF 1CP8 B 1 8 PDB 1CP8 1CP8 1 8 SEQRES 1 A 8 DT DT DG DG DC DC DA DA SEQRES 1 B 8 DT DT DG DG DC DC DA DA HET DDA B 9 19 HET DDL B 10 19 HET DRI B 11 23 HET DDA B 12 20 HET DDA A 9 19 HET DDL A 10 19 HET DRI A 11 23 HET DDA A 12 20 HET DDA B 13 21 HET DDA A 13 21 HET MG B 14 1 HET DXA B 15 58 HET DXA A 14 58 HETNAM DDA 2,6-DIDEOXY-BETA-D-GLUCOSE HETNAM DDL 2,6-DIDEOXY-BETA-D-GALACTOSE HETNAM DRI 4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE HETNAM MG MAGNESIUM ION HETNAM DXA 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4- HETNAM 2 DXA DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)- HETNAM 3 DXA ANTHRACENE HETSYN DDA 2,6-DIDEOXY-BETA-D-MANNOSE HETSYN DDL 2,6-DIDEOXY-BETA-D-TALOSE HETSYN DRI 4-O-METHYL-2,6-DIDEOXY-BETA-D-MANNOSE FORMUL 3 DDA 6(C6 H12 O4) FORMUL 3 DDL 2(C6 H12 O4) FORMUL 3 DRI 2(C7 H14 O4) FORMUL 7 MG MG 2+ FORMUL 8 DXA 2(C24 H30 O7) LINK C3 DDA B 9 O1 DDL B 10 1555 1555 1.42 LINK C3 DDL B 10 O1 DRI B 11 1555 1555 1.43 LINK O3 DRI B 11 C1 DDA B 12 1555 1555 1.42 LINK C3 DDA A 9 O1 DDL A 10 1555 1555 1.42 LINK C3 DDL A 10 O1 DRI A 11 1555 1555 1.43 LINK O3 DRI A 11 C1 DDA A 12 1555 1555 1.42 LINK O1 DDA B 13 C6 DXA B 15 1555 1555 1.41 LINK O1 DDA A 13 C6 DXA A 14 1555 1555 1.41 LINK O1 DDA B 9 C2 DXA B 15 1555 1555 1.42 LINK O1 DDA A 9 C2 DXA A 14 1555 1555 1.42 LINK MG MG B 14 O1 DXA A 14 1555 1555 2.75 LINK MG MG B 14 O9 DXA B 15 1555 1555 2.36 LINK MG MG B 14 O1 DXA B 15 1555 1555 2.54 LINK MG MG B 14 O9 DXA A 14 1555 1555 2.36 SITE *** AC1 3 DC B 6 DDL B 10 DXA B 15 SITE *** AC2 4 DDA A 13 DA B 7 DDA B 9 DRI B 11 SITE *** AC3 5 DDA A 13 DXA A 14 DA B 8 DDL B 10 SITE *** AC3 5 DDA B 12 SITE *** AC4 4 DT A 2 DA B 7 DA B 8 DRI B 11 SITE *** AC5 3 DC A 6 DDL A 10 DXA A 14 SITE *** AC6 5 DA A 7 DDA A 9 DRI A 11 DDA B 13 SITE *** AC6 5 DXA B 15 SITE *** AC7 5 DA A 8 DDL A 10 DDA A 12 DDA B 13 SITE *** AC7 5 DXA B 15 SITE *** AC8 4 DA A 7 DA A 8 DRI A 11 DT B 2 SITE *** AC9 3 DDL A 10 DRI A 11 DXA B 15 SITE *** BC1 3 DXA A 14 DDL B 10 DRI B 11 SITE *** BC2 4 DC A 5 DXA A 14 DC B 5 DXA B 15 SITE *** BC3 11 DA A 7 DDL A 10 DRI A 11 DXA A 14 SITE *** BC3 11 DG B 4 DC B 5 DC B 6 DA B 7 SITE *** BC3 11 DDA B 9 DDA B 13 MG B 14 SITE *** BC4 10 DG A 4 DC A 5 DC A 6 DA A 7 SITE *** BC4 10 DDA A 9 DDA A 13 DA B 7 DRI B 11 SITE *** BC4 10 MG B 14 DXA B 15 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 NoAdj-H: B 15 DXA HO9 : B 15 DXA O9 : B 15 DXA C9 :(short bond) USER MOD NoAdj-H: B 15 DXA H6 : B 15 DXA C6 : B 13 DDA O1 :(H bumps) USER MOD NoAdj-H: B 15 DXA H21 : B 15 DXA C2 : B 9 DDA O1 :(H bumps) USER MOD NoAdj-H: A 14 DXA HO9 : A 14 DXA O9 : A 14 DXA C9 :(short bond) USER MOD NoAdj-H: A 14 DXA H6 : A 14 DXA C6 : A 13 DDA O1 :(H bumps) USER MOD NoAdj-H: A 14 DXA H21 : A 14 DXA C2 : A 9 DDA O1 :(H bumps) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 2 DT C7 :methyl -30:sc= -2.51! (180deg=-3.77!) USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : A 9 DDA O4 : rot -4:sc= 1.12 USER MOD Single : A 10 DDL O4 : rot -23:sc= 0.132 USER MOD Single : A 12 DDA O3 : rot -30:sc= 1.46 USER MOD Single : A 12 DDA O4 : rot 160:sc= 0 USER MOD Single : A 13 DDA O3 : rot 180:sc= 0 USER MOD Single : A 13 DDA O4 : rot 160:sc= 0 USER MOD Single : A 14 DXA O3' : rot 155:sc= -0.557 USER MOD Single : A 14 DXA O4' : rot 180:sc= 0.00892 USER MOD Single : A 14 DXA O8 : rot -165:sc= 0.863 USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 2 DT C7 :methyl -30:sc= -2.53! (180deg=-3.75!) USER MOD Single : B 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DDA O4 : rot 48:sc= 1.22 USER MOD Single : B 10 DDL O4 : rot -20:sc= 0.12 USER MOD Single : B 12 DDA O3 : rot -28:sc= 1.63 USER MOD Single : B 12 DDA O4 : rot 160:sc= 0 USER MOD Single : B 13 DDA O3 : rot 180:sc= 0 USER MOD Single : B 13 DDA O4 : rot 160:sc= 0 USER MOD Single : B 15 DXA O3' : rot 152:sc= -0.574 USER MOD Single : B 15 DXA O4' : rot 180:sc= 0.0102 USER MOD Single : B 15 DXA O8 : rot -161:sc= 0.918 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 DT A 1 -8.215 -13.903 -13.218 1.00 20.00 O ATOM 2 P DT A 1 -8.580 -15.415 -12.802 1.00 0.00 P ATOM 3 OP1 DT A 1 -10.038 -15.604 -12.978 1.00 0.00 O ATOM 4 OP2 DT A 1 -7.631 -16.324 -13.481 1.00 0.00 O ATOM 5 O5' DT A 1 -8.257 -15.434 -11.225 1.00 0.00 O ATOM 6 C5' DT A 1 -8.475 -14.269 -10.425 1.00 0.00 C ATOM 7 C4' DT A 1 -8.175 -14.535 -8.947 1.00 0.00 C ATOM 8 O4' DT A 1 -6.800 -14.952 -8.780 1.00 0.00 O ATOM 9 C3' DT A 1 -8.399 -13.290 -8.083 1.00 0.00 C ATOM 10 O3' DT A 1 -9.191 -13.635 -6.933 1.00 0.00 O ATOM 11 C2' DT A 1 -7.014 -12.842 -7.674 1.00 0.00 C ATOM 12 C1' DT A 1 -6.092 -14.035 -7.914 1.00 0.00 C ATOM 13 N1 DT A 1 -4.786 -13.635 -8.527 1.00 0.00 N ATOM 14 C2 DT A 1 -3.605 -14.014 -7.883 1.00 0.00 C ATOM 15 O2 DT A 1 -3.602 -14.633 -6.821 1.00 0.00 O ATOM 16 N3 DT A 1 -2.426 -13.658 -8.509 1.00 0.00 N ATOM 17 C4 DT A 1 -2.313 -12.969 -9.704 1.00 0.00 C ATOM 18 O4 DT A 1 -1.210 -12.710 -10.178 1.00 0.00 O ATOM 19 C5 DT A 1 -3.579 -12.613 -10.302 1.00 0.00 C ATOM 20 C7 DT A 1 -3.593 -11.838 -11.617 1.00 0.00 C ATOM 21 C6 DT A 1 -4.747 -12.945 -9.716 1.00 0.00 C ATOM 0 H5' DT A 1 -9.509 -13.941 -10.534 1.00 0.00 H new ATOM 0 H5'' DT A 1 -7.843 -13.457 -10.785 1.00 0.00 H new ATOM 0 H4' DT A 1 -8.859 -15.320 -8.626 1.00 0.00 H new ATOM 0 H3' DT A 1 -8.933 -12.500 -8.611 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.695 -11.980 -8.259 1.00 0.00 H new ATOM 0 H2'' DT A 1 -6.996 -12.541 -6.627 1.00 0.00 H new ATOM 0 H1' DT A 1 -5.844 -14.500 -6.960 1.00 0.00 H new ATOM 0 H3 DT A 1 -1.558 -13.928 -8.047 1.00 0.00 H new ATOM 0 H71 DT A 1 -4.487 -12.098 -12.183 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.594 -10.768 -11.409 1.00 0.00 H new ATOM 0 H73 DT A 1 -2.708 -12.094 -12.199 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.674 -12.662 -10.192 1.00 0.00 H new ATOM 35 P DT A 2 -9.488 -12.571 -5.759 1.00 0.00 P ATOM 36 OP1 DT A 2 -10.779 -12.926 -5.126 1.00 0.00 O ATOM 37 OP2 DT A 2 -9.282 -11.210 -6.303 1.00 0.00 O ATOM 38 O5' DT A 2 -8.306 -12.879 -4.705 1.00 0.00 O ATOM 39 C5' DT A 2 -8.044 -14.221 -4.279 1.00 0.00 C ATOM 40 C4' DT A 2 -7.202 -14.274 -2.991 1.00 0.00 C ATOM 41 O4' DT A 2 -5.787 -14.233 -3.306 1.00 0.00 O ATOM 42 C3' DT A 2 -7.510 -13.113 -2.041 1.00 0.00 C ATOM 43 O3' DT A 2 -7.826 -13.622 -0.736 1.00 0.00 O ATOM 44 C2' DT A 2 -6.246 -12.284 -1.990 1.00 0.00 C ATOM 45 C1' DT A 2 -5.149 -13.094 -2.679 1.00 0.00 C ATOM 46 N1 DT A 2 -4.383 -12.306 -3.702 1.00 0.00 N ATOM 47 C2 DT A 2 -2.981 -12.321 -3.648 1.00 0.00 C ATOM 48 O2 DT A 2 -2.363 -12.890 -2.751 1.00 0.00 O ATOM 49 N3 DT A 2 -2.319 -11.653 -4.669 1.00 0.00 N ATOM 50 C4 DT A 2 -2.924 -10.976 -5.718 1.00 0.00 C ATOM 51 O4 DT A 2 -2.253 -10.419 -6.578 1.00 0.00 O ATOM 52 C5 DT A 2 -4.367 -11.005 -5.692 1.00 0.00 C ATOM 53 C7 DT A 2 -5.135 -10.285 -6.804 1.00 0.00 C ATOM 54 C6 DT A 2 -5.039 -11.652 -4.712 1.00 0.00 C ATOM 0 H5' DT A 2 -7.523 -14.756 -5.073 1.00 0.00 H new ATOM 0 H5'' DT A 2 -8.989 -14.738 -4.113 1.00 0.00 H new ATOM 0 H4' DT A 2 -7.462 -15.210 -2.497 1.00 0.00 H new ATOM 0 H3' DT A 2 -8.363 -12.524 -2.377 1.00 0.00 H new ATOM 0 H2' DT A 2 -6.392 -11.328 -2.493 1.00 0.00 H new ATOM 0 H2'' DT A 2 -5.972 -12.063 -0.958 1.00 0.00 H new ATOM 0 H1' DT A 2 -4.417 -13.397 -1.930 1.00 0.00 H new ATOM 0 H3 DT A 2 -1.299 -11.661 -4.646 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.551 -9.435 -7.158 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.310 -10.974 -7.630 1.00 0.00 H new ATOM 0 H73 DT A 2 -6.091 -9.932 -6.417 1.00 0.00 H new ATOM 0 H6 DT A 2 -6.119 -11.653 -4.726 1.00 0.00 H new ATOM 67 P DG A 3 -8.172 -12.630 0.489 1.00 0.00 P ATOM 68 OP1 DG A 3 -9.074 -13.345 1.420 1.00 0.00 O ATOM 69 OP2 DG A 3 -8.586 -11.327 -0.077 1.00 0.00 O ATOM 70 O5' DG A 3 -6.747 -12.429 1.225 1.00 0.00 O ATOM 71 C5' DG A 3 -5.777 -13.485 1.280 1.00 0.00 C ATOM 72 C4' DG A 3 -4.354 -12.940 1.453 1.00 0.00 C ATOM 73 O4' DG A 3 -3.851 -12.417 0.195 1.00 0.00 O ATOM 74 C3' DG A 3 -4.290 -11.807 2.488 1.00 0.00 C ATOM 75 O3' DG A 3 -3.342 -12.122 3.516 1.00 0.00 O ATOM 76 C2' DG A 3 -3.823 -10.596 1.719 1.00 0.00 C ATOM 77 C1' DG A 3 -3.259 -11.119 0.412 1.00 0.00 C ATOM 78 N9 DG A 3 -3.533 -10.180 -0.698 1.00 0.00 N ATOM 79 C8 DG A 3 -4.709 -9.702 -1.165 1.00 0.00 C ATOM 80 N7 DG A 3 -4.672 -8.847 -2.134 1.00 0.00 N ATOM 81 C5 DG A 3 -3.298 -8.728 -2.354 1.00 0.00 C ATOM 82 C6 DG A 3 -2.584 -7.932 -3.295 1.00 0.00 C ATOM 83 O6 DG A 3 -3.025 -7.155 -4.142 1.00 0.00 O ATOM 84 N1 DG A 3 -1.219 -8.113 -3.174 1.00 0.00 N ATOM 85 C2 DG A 3 -0.603 -8.948 -2.271 1.00 0.00 C ATOM 86 N2 DG A 3 0.722 -8.983 -2.315 1.00 0.00 N ATOM 87 N3 DG A 3 -1.259 -9.698 -1.385 1.00 0.00 N ATOM 88 C4 DG A 3 -2.595 -9.543 -1.478 1.00 0.00 C ATOM 0 H5' DG A 3 -5.831 -14.077 0.366 1.00 0.00 H new ATOM 0 H5'' DG A 3 -6.014 -14.154 2.108 1.00 0.00 H new ATOM 0 H4' DG A 3 -3.746 -13.777 1.797 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.254 -11.647 2.972 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.648 -9.907 1.539 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.065 -10.047 2.279 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.174 -11.209 0.456 1.00 0.00 H new ATOM 0 H8 DG A 3 -5.649 -10.024 -0.742 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.619 -7.584 -3.807 1.00 0.00 H new ATOM 0 H21 DG A 3 1.238 -9.583 -1.671 1.00 0.00 H new ATOM 0 H22 DG A 3 1.225 -8.410 -2.993 1.00 0.00 H new ATOM 100 P DG A 4 -3.131 -11.133 4.771 1.00 0.00 P ATOM 101 OP1 DG A 4 -2.660 -11.939 5.920 1.00 0.00 O ATOM 102 OP2 DG A 4 -4.343 -10.295 4.908 1.00 0.00 O ATOM 103 O5' DG A 4 -1.917 -10.188 4.288 1.00 0.00 O ATOM 104 C5' DG A 4 -0.782 -10.741 3.612 1.00 0.00 C ATOM 105 C4' DG A 4 0.214 -9.662 3.132 1.00 0.00 C ATOM 106 O4' DG A 4 -0.054 -9.287 1.752 1.00 0.00 O ATOM 107 C3' DG A 4 0.158 -8.370 3.972 1.00 0.00 C ATOM 108 O3' DG A 4 1.468 -8.036 4.459 1.00 0.00 O ATOM 109 C2' DG A 4 -0.316 -7.316 3.021 1.00 0.00 C ATOM 110 C1' DG A 4 -0.002 -7.850 1.645 1.00 0.00 C ATOM 111 N9 DG A 4 -0.945 -7.305 0.656 1.00 0.00 N ATOM 112 C8 DG A 4 -2.295 -7.357 0.629 1.00 0.00 C ATOM 113 N7 DG A 4 -2.905 -6.655 -0.270 1.00 0.00 N ATOM 114 C5 DG A 4 -1.831 -6.055 -0.938 1.00 0.00 C ATOM 115 C6 DG A 4 -1.822 -5.151 -2.038 1.00 0.00 C ATOM 116 O6 DG A 4 -2.776 -4.676 -2.655 1.00 0.00 O ATOM 117 N1 DG A 4 -0.529 -4.798 -2.392 1.00 0.00 N ATOM 118 C2 DG A 4 0.621 -5.249 -1.777 1.00 0.00 C ATOM 119 N2 DG A 4 1.775 -4.794 -2.270 1.00 0.00 N ATOM 120 N3 DG A 4 0.622 -6.095 -0.746 1.00 0.00 N ATOM 121 C4 DG A 4 -0.629 -6.455 -0.378 1.00 0.00 C ATOM 0 H5' DG A 4 -1.123 -11.321 2.755 1.00 0.00 H new ATOM 0 H5'' DG A 4 -0.268 -11.432 4.280 1.00 0.00 H new ATOM 0 H4' DG A 4 1.200 -10.115 3.238 1.00 0.00 H new ATOM 0 H3' DG A 4 -0.493 -8.472 4.840 1.00 0.00 H new ATOM 0 H2' DG A 4 -1.384 -7.133 3.137 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.191 -6.368 3.200 1.00 0.00 H new ATOM 0 H1' DG A 4 0.985 -7.546 1.295 1.00 0.00 H new ATOM 0 H8 DG A 4 -2.845 -7.963 1.333 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.418 -4.151 -3.172 1.00 0.00 H new ATOM 0 H21 DG A 4 2.659 -5.092 -1.857 1.00 0.00 H new ATOM 0 H22 DG A 4 1.773 -4.148 -3.060 1.00 0.00 H new ATOM 133 P DC A 5 1.681 -6.852 5.534 1.00 0.00 P ATOM 134 OP1 DC A 5 2.388 -7.414 6.706 1.00 0.00 O ATOM 135 OP2 DC A 5 0.385 -6.161 5.719 1.00 0.00 O ATOM 136 O5' DC A 5 2.690 -5.838 4.780 1.00 0.00 O ATOM 137 C5' DC A 5 3.810 -6.327 4.028 1.00 0.00 C ATOM 138 C4' DC A 5 4.208 -5.363 2.911 1.00 0.00 C ATOM 139 O4' DC A 5 3.233 -5.339 1.854 1.00 0.00 O ATOM 140 C3' DC A 5 4.360 -3.926 3.386 1.00 0.00 C ATOM 141 O3' DC A 5 5.687 -3.622 3.820 1.00 0.00 O ATOM 142 C2' DC A 5 4.003 -3.106 2.176 1.00 0.00 C ATOM 143 C1' DC A 5 3.282 -4.045 1.219 1.00 0.00 C ATOM 144 N1 DC A 5 1.932 -3.532 0.919 1.00 0.00 N ATOM 145 C2 DC A 5 1.795 -2.632 -0.129 1.00 0.00 C ATOM 146 O2 DC A 5 2.789 -2.210 -0.716 1.00 0.00 O ATOM 147 N3 DC A 5 0.546 -2.224 -0.464 1.00 0.00 N ATOM 148 C4 DC A 5 -0.528 -2.671 0.196 1.00 0.00 C ATOM 149 N4 DC A 5 -1.740 -2.253 -0.181 1.00 0.00 N ATOM 150 C5 DC A 5 -0.387 -3.591 1.288 1.00 0.00 C ATOM 151 C6 DC A 5 0.857 -3.985 1.611 1.00 0.00 C ATOM 0 H5' DC A 5 3.564 -7.298 3.599 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.658 -6.479 4.696 1.00 0.00 H new ATOM 0 H4' DC A 5 5.167 -5.741 2.558 1.00 0.00 H new ATOM 0 H3' DC A 5 3.729 -3.727 4.252 1.00 0.00 H new ATOM 0 H2' DC A 5 3.365 -2.266 2.450 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.897 -2.689 1.712 1.00 0.00 H new ATOM 0 H1' DC A 5 3.806 -4.119 0.266 1.00 0.00 H new ATOM 0 H41 DC A 5 -2.570 -2.584 0.311 1.00 0.00 H new ATOM 0 H42 DC A 5 -1.835 -1.603 -0.961 1.00 0.00 H new ATOM 0 H5 DC A 5 -1.248 -3.953 1.830 1.00 0.00 H new ATOM 0 H6 DC A 5 1.002 -4.671 2.432 1.00 0.00 H new ATOM 163 P DC A 6 6.008 -2.166 4.440 1.00 0.00 P ATOM 164 OP1 DC A 6 7.426 -2.147 4.864 1.00 0.00 O ATOM 165 OP2 DC A 6 4.943 -1.834 5.413 1.00 0.00 O ATOM 166 O5' DC A 6 5.850 -1.182 3.167 1.00 0.00 O ATOM 167 C5' DC A 6 6.934 -1.042 2.247 1.00 0.00 C ATOM 168 C4' DC A 6 6.730 0.095 1.233 1.00 0.00 C ATOM 169 O4' DC A 6 5.541 -0.085 0.440 1.00 0.00 O ATOM 170 C3' DC A 6 6.630 1.462 1.895 1.00 0.00 C ATOM 171 O3' DC A 6 7.902 2.115 1.894 1.00 0.00 O ATOM 172 C2' DC A 6 5.620 2.227 1.061 1.00 0.00 C ATOM 173 C1' DC A 6 4.957 1.207 0.138 1.00 0.00 C ATOM 174 N1 DC A 6 3.486 1.164 0.341 1.00 0.00 N ATOM 175 C2 DC A 6 2.671 1.907 -0.508 1.00 0.00 C ATOM 176 O2 DC A 6 3.167 2.668 -1.336 1.00 0.00 O ATOM 177 N3 DC A 6 1.321 1.772 -0.384 1.00 0.00 N ATOM 178 C4 DC A 6 0.784 0.950 0.529 1.00 0.00 C ATOM 179 N4 DC A 6 -0.550 0.814 0.594 1.00 0.00 N ATOM 180 C5 DC A 6 1.623 0.195 1.411 1.00 0.00 C ATOM 181 C6 DC A 6 2.958 0.340 1.282 1.00 0.00 C ATOM 0 H5' DC A 6 7.067 -1.980 1.708 1.00 0.00 H new ATOM 0 H5'' DC A 6 7.853 -0.861 2.804 1.00 0.00 H new ATOM 0 H4' DC A 6 7.615 0.056 0.598 1.00 0.00 H new ATOM 0 H3' DC A 6 6.323 1.395 2.939 1.00 0.00 H new ATOM 0 H2' DC A 6 4.880 2.713 1.697 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.109 3.012 0.484 1.00 0.00 H new ATOM 0 H1' DC A 6 5.125 1.484 -0.903 1.00 0.00 H new ATOM 0 H41 DC A 6 -0.966 0.191 1.286 1.00 0.00 H new ATOM 0 H42 DC A 6 -1.148 1.334 -0.048 1.00 0.00 H new ATOM 0 H5 DC A 6 1.202 -0.467 2.153 1.00 0.00 H new ATOM 0 H6 DC A 6 3.618 -0.208 1.938 1.00 0.00 H new ATOM 193 P DA A 7 8.178 3.376 2.854 1.00 0.00 P ATOM 194 OP1 DA A 7 9.540 3.241 3.418 1.00 0.00 O ATOM 195 OP2 DA A 7 7.017 3.533 3.758 1.00 0.00 O ATOM 196 O5' DA A 7 8.181 4.607 1.818 1.00 0.00 O ATOM 197 C5' DA A 7 8.750 4.459 0.514 1.00 0.00 C ATOM 198 C4' DA A 7 8.420 5.656 -0.379 1.00 0.00 C ATOM 199 O4' DA A 7 7.082 5.525 -0.921 1.00 0.00 O ATOM 200 C3' DA A 7 8.490 6.975 0.390 1.00 0.00 C ATOM 201 O3' DA A 7 9.247 7.949 -0.345 1.00 0.00 O ATOM 202 C2' DA A 7 7.063 7.429 0.525 1.00 0.00 C ATOM 203 C1' DA A 7 6.237 6.591 -0.434 1.00 0.00 C ATOM 204 N9 DA A 7 5.035 6.059 0.234 1.00 0.00 N ATOM 205 C8 DA A 7 4.931 5.322 1.364 1.00 0.00 C ATOM 206 N7 DA A 7 3.744 5.054 1.793 1.00 0.00 N ATOM 207 C5 DA A 7 2.947 5.685 0.832 1.00 0.00 C ATOM 208 C6 DA A 7 1.562 5.798 0.679 1.00 0.00 C ATOM 209 N6 DA A 7 0.703 5.266 1.541 1.00 0.00 N ATOM 210 N1 DA A 7 1.100 6.487 -0.387 1.00 0.00 N ATOM 211 C2 DA A 7 1.967 7.033 -1.253 1.00 0.00 C ATOM 212 N3 DA A 7 3.297 6.989 -1.196 1.00 0.00 N ATOM 213 C4 DA A 7 3.724 6.294 -0.122 1.00 0.00 C ATOM 0 H5' DA A 7 8.375 3.545 0.053 1.00 0.00 H new ATOM 0 H5'' DA A 7 9.832 4.353 0.597 1.00 0.00 H new ATOM 0 H4' DA A 7 9.161 5.667 -1.178 1.00 0.00 H new ATOM 0 H3' DA A 7 8.979 6.852 1.357 1.00 0.00 H new ATOM 0 H2' DA A 7 6.713 7.300 1.549 1.00 0.00 H new ATOM 0 H2'' DA A 7 6.972 8.489 0.288 1.00 0.00 H new ATOM 0 H1' DA A 7 5.887 7.200 -1.267 1.00 0.00 H new ATOM 0 H8 DA A 7 5.808 4.971 1.887 1.00 0.00 H new ATOM 0 H61 DA A 7 -0.301 5.372 1.392 1.00 0.00 H new ATOM 0 H62 DA A 7 1.047 4.752 2.352 1.00 0.00 H new ATOM 0 H2 DA A 7 1.539 7.567 -2.089 1.00 0.00 H new ATOM 225 P DA A 8 9.534 9.411 0.275 1.00 0.00 P ATOM 226 OP1 DA A 8 10.788 9.925 -0.321 1.00 0.00 O ATOM 227 OP2 DA A 8 9.403 9.321 1.746 1.00 0.00 O ATOM 228 O5' DA A 8 8.309 10.302 -0.286 1.00 0.00 O ATOM 229 C5' DA A 8 7.876 10.183 -1.646 1.00 0.00 C ATOM 230 C4' DA A 8 6.604 11.002 -1.929 1.00 0.00 C ATOM 231 O4' DA A 8 5.424 10.264 -1.516 1.00 0.00 O ATOM 232 C3' DA A 8 6.596 12.350 -1.193 1.00 0.00 C ATOM 233 O3' DA A 8 6.397 13.422 -2.121 1.00 0.00 O ATOM 234 C2' DA A 8 5.423 12.282 -0.240 1.00 0.00 C ATOM 235 C1' DA A 8 4.586 11.088 -0.676 1.00 0.00 C ATOM 236 N9 DA A 8 4.083 10.340 0.495 1.00 0.00 N ATOM 237 C8 DA A 8 4.769 9.747 1.498 1.00 0.00 C ATOM 238 N7 DA A 8 4.091 9.188 2.441 1.00 0.00 N ATOM 239 C5 DA A 8 2.781 9.430 2.026 1.00 0.00 C ATOM 240 C6 DA A 8 1.541 9.103 2.579 1.00 0.00 C ATOM 241 N6 DA A 8 1.411 8.435 3.724 1.00 0.00 N ATOM 242 N1 DA A 8 0.442 9.494 1.912 1.00 0.00 N ATOM 243 C2 DA A 8 0.553 10.169 0.767 1.00 0.00 C ATOM 244 N3 DA A 8 1.677 10.533 0.153 1.00 0.00 N ATOM 245 C4 DA A 8 2.764 10.130 0.841 1.00 0.00 C ATOM 0 H5' DA A 8 7.688 9.134 -1.874 1.00 0.00 H new ATOM 0 H5'' DA A 8 8.674 10.516 -2.309 1.00 0.00 H new ATOM 0 H4' DA A 8 6.594 11.187 -3.003 1.00 0.00 H new ATOM 0 H3' DA A 8 7.539 12.530 -0.677 1.00 0.00 H new ATOM 0 H2' DA A 8 5.764 12.163 0.788 1.00 0.00 H new ATOM 0 H2'' DA A 8 4.838 13.201 -0.277 1.00 0.00 H new ATOM 0 HO3' DA A 8 6.392 14.275 -1.639 1.00 0.00 H new ATOM 0 H1' DA A 8 3.706 11.414 -1.230 1.00 0.00 H new ATOM 0 H8 DA A 8 5.849 9.742 1.509 1.00 0.00 H new ATOM 0 H61 DA A 8 0.482 8.220 4.087 1.00 0.00 H new ATOM 0 H62 DA A 8 2.240 8.138 4.238 1.00 0.00 H new ATOM 0 H2 DA A 8 -0.371 10.452 0.285 1.00 0.00 H new TER 258 DA A 8 ATOM 259 OP3 DT B 1 -8.024 8.989 8.065 1.00 20.00 O ATOM 260 P DT B 1 -8.357 10.508 7.648 1.00 0.00 P ATOM 261 OP1 DT B 1 -9.810 10.727 7.818 1.00 0.00 O ATOM 262 OP2 DT B 1 -7.391 11.398 8.330 1.00 0.00 O ATOM 263 O5' DT B 1 -8.027 10.520 6.072 1.00 0.00 O ATOM 264 C5' DT B 1 -8.265 9.359 5.271 1.00 0.00 C ATOM 265 C4' DT B 1 -7.954 9.620 3.794 1.00 0.00 C ATOM 266 O4' DT B 1 -6.570 10.008 3.633 1.00 0.00 O ATOM 267 C3' DT B 1 -8.200 8.380 2.929 1.00 0.00 C ATOM 268 O3' DT B 1 -8.979 8.741 1.775 1.00 0.00 O ATOM 269 C2' DT B 1 -6.823 7.903 2.526 1.00 0.00 C ATOM 270 C1' DT B 1 -5.878 9.077 2.771 1.00 0.00 C ATOM 271 N1 DT B 1 -4.582 8.649 3.389 1.00 0.00 N ATOM 272 C2 DT B 1 -3.392 9.004 2.750 1.00 0.00 C ATOM 273 O2 DT B 1 -3.371 9.623 1.688 1.00 0.00 O ATOM 274 N3 DT B 1 -2.223 8.625 3.382 1.00 0.00 N ATOM 275 C4 DT B 1 -2.129 7.933 4.578 1.00 0.00 C ATOM 276 O4 DT B 1 -1.034 7.652 5.057 1.00 0.00 O ATOM 277 C5 DT B 1 -3.405 7.604 5.169 1.00 0.00 C ATOM 278 C7 DT B 1 -3.440 6.830 6.484 1.00 0.00 C ATOM 279 C6 DT B 1 -4.563 7.960 4.578 1.00 0.00 C ATOM 0 H5' DT B 1 -9.305 9.051 5.376 1.00 0.00 H new ATOM 0 H5'' DT B 1 -7.651 8.534 5.633 1.00 0.00 H new ATOM 0 H4' DT B 1 -8.620 10.419 3.470 1.00 0.00 H new ATOM 0 H3' DT B 1 -8.753 7.602 3.455 1.00 0.00 H new ATOM 0 H2' DT B 1 -6.525 7.034 3.113 1.00 0.00 H new ATOM 0 H2'' DT B 1 -6.806 7.602 1.479 1.00 0.00 H new ATOM 0 H1' DT B 1 -5.617 9.538 1.818 1.00 0.00 H new ATOM 0 H3 DT B 1 -1.347 8.879 2.925 1.00 0.00 H new ATOM 0 H71 DT B 1 -4.331 7.108 7.046 1.00 0.00 H new ATOM 0 H72 DT B 1 -3.462 5.760 6.276 1.00 0.00 H new ATOM 0 H73 DT B 1 -2.552 7.068 7.070 1.00 0.00 H new ATOM 0 H6 DT B 1 -5.498 7.698 5.050 1.00 0.00 H new ATOM 293 P DT B 2 -9.295 7.679 0.603 1.00 0.00 P ATOM 294 OP1 DT B 2 -10.578 8.055 -0.030 1.00 0.00 O ATOM 295 OP2 DT B 2 -9.113 6.316 1.150 1.00 0.00 O ATOM 296 O5' DT B 2 -8.109 7.963 -0.453 1.00 0.00 O ATOM 297 C5' DT B 2 -7.810 9.300 -0.870 1.00 0.00 C ATOM 298 C4' DT B 2 -6.962 9.336 -2.155 1.00 0.00 C ATOM 299 O4' DT B 2 -5.550 9.266 -1.836 1.00 0.00 O ATOM 300 C3' DT B 2 -7.289 8.181 -3.108 1.00 0.00 C ATOM 301 O3' DT B 2 -7.589 8.696 -4.414 1.00 0.00 O ATOM 302 C2' DT B 2 -6.042 7.327 -3.153 1.00 0.00 C ATOM 303 C1' DT B 2 -4.933 8.115 -2.459 1.00 0.00 C ATOM 304 N1 DT B 2 -4.187 7.312 -1.433 1.00 0.00 N ATOM 305 C2 DT B 2 -2.784 7.299 -1.481 1.00 0.00 C ATOM 306 O2 DT B 2 -2.151 7.856 -2.375 1.00 0.00 O ATOM 307 N3 DT B 2 -2.141 6.618 -0.458 1.00 0.00 N ATOM 308 C4 DT B 2 -2.764 5.953 0.589 1.00 0.00 C ATOM 309 O4 DT B 2 -2.109 5.382 1.452 1.00 0.00 O ATOM 310 C5 DT B 2 -4.205 6.011 0.557 1.00 0.00 C ATOM 311 C7 DT B 2 -4.993 5.307 1.665 1.00 0.00 C ATOM 312 C6 DT B 2 -4.859 6.672 -0.426 1.00 0.00 C ATOM 0 H5' DT B 2 -7.278 9.817 -0.071 1.00 0.00 H new ATOM 0 H5'' DT B 2 -8.740 9.843 -1.036 1.00 0.00 H new ATOM 0 H4' DT B 2 -7.202 10.278 -2.649 1.00 0.00 H new ATOM 0 H3' DT B 2 -8.155 7.609 -2.776 1.00 0.00 H new ATOM 0 H2' DT B 2 -6.209 6.374 -2.651 1.00 0.00 H new ATOM 0 H2'' DT B 2 -5.767 7.101 -4.183 1.00 0.00 H new ATOM 0 H1' DT B 2 -4.192 8.404 -3.204 1.00 0.00 H new ATOM 0 H3 DT B 2 -1.121 6.605 -0.477 1.00 0.00 H new ATOM 0 H71 DT B 2 -4.429 4.445 2.022 1.00 0.00 H new ATOM 0 H72 DT B 2 -5.158 6.000 2.490 1.00 0.00 H new ATOM 0 H73 DT B 2 -5.954 4.974 1.273 1.00 0.00 H new ATOM 0 H6 DT B 2 -5.939 6.695 -0.416 1.00 0.00 H new ATOM 325 P DG B 3 -7.951 7.711 -5.640 1.00 0.00 P ATOM 326 OP1 DG B 3 -8.835 8.445 -6.574 1.00 0.00 O ATOM 327 OP2 DG B 3 -8.393 6.417 -5.075 1.00 0.00 O ATOM 328 O5' DG B 3 -6.527 7.481 -6.370 1.00 0.00 O ATOM 329 C5' DG B 3 -5.536 8.517 -6.422 1.00 0.00 C ATOM 330 C4' DG B 3 -4.124 7.944 -6.590 1.00 0.00 C ATOM 331 O4' DG B 3 -3.636 7.412 -5.329 1.00 0.00 O ATOM 332 C3' DG B 3 -4.078 6.809 -7.623 1.00 0.00 C ATOM 333 O3' DG B 3 -3.121 7.104 -8.648 1.00 0.00 O ATOM 334 C2' DG B 3 -3.638 5.589 -6.852 1.00 0.00 C ATOM 335 C1' DG B 3 -3.069 6.102 -5.543 1.00 0.00 C ATOM 336 N9 DG B 3 -3.364 5.170 -4.433 1.00 0.00 N ATOM 337 C8 DG B 3 -4.551 4.714 -3.971 1.00 0.00 C ATOM 338 N7 DG B 3 -4.534 3.858 -3.003 1.00 0.00 N ATOM 339 C5 DG B 3 -3.162 3.714 -2.778 1.00 0.00 C ATOM 340 C6 DG B 3 -2.468 2.904 -1.835 1.00 0.00 C ATOM 341 O6 DG B 3 -2.928 2.135 -0.991 1.00 0.00 O ATOM 342 N1 DG B 3 -1.098 3.060 -1.951 1.00 0.00 N ATOM 343 C2 DG B 3 -0.461 3.884 -2.851 1.00 0.00 C ATOM 344 N2 DG B 3 0.868 3.897 -2.800 1.00 0.00 N ATOM 345 N3 DG B 3 -1.100 4.647 -3.739 1.00 0.00 N ATOM 346 C4 DG B 3 -2.441 4.516 -3.651 1.00 0.00 C ATOM 0 H5' DG B 3 -5.582 9.110 -5.509 1.00 0.00 H new ATOM 0 H5'' DG B 3 -5.756 9.190 -7.251 1.00 0.00 H new ATOM 0 H4' DG B 3 -3.499 8.768 -6.933 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.043 6.667 -8.109 1.00 0.00 H new ATOM 0 H2' DG B 3 -4.477 4.916 -6.675 1.00 0.00 H new ATOM 0 H2'' DG B 3 -2.889 5.025 -7.408 1.00 0.00 H new ATOM 0 H1' DG B 3 -1.982 6.170 -5.583 1.00 0.00 H new ATOM 0 H8 DG B 3 -5.483 5.054 -4.398 1.00 0.00 H new ATOM 0 H1 DG B 3 -0.511 2.519 -1.316 1.00 0.00 H new ATOM 0 H21 DG B 3 1.397 4.488 -3.441 1.00 0.00 H new ATOM 0 H22 DG B 3 1.358 3.316 -2.119 1.00 0.00 H new ATOM 358 P DG B 4 -2.924 6.111 -9.902 1.00 0.00 P ATOM 359 OP1 DG B 4 -2.432 6.907 -11.048 1.00 0.00 O ATOM 360 OP2 DG B 4 -4.152 5.297 -10.043 1.00 0.00 O ATOM 361 O5' DG B 4 -1.732 5.143 -9.413 1.00 0.00 O ATOM 362 C5' DG B 4 -0.589 5.673 -8.732 1.00 0.00 C ATOM 363 C4' DG B 4 0.382 4.574 -8.249 1.00 0.00 C ATOM 364 O4' DG B 4 0.103 4.205 -6.870 1.00 0.00 O ATOM 365 C3' DG B 4 0.301 3.284 -9.088 1.00 0.00 C ATOM 366 O3' DG B 4 1.602 2.925 -9.575 1.00 0.00 O ATOM 367 C2' DG B 4 -0.193 2.239 -8.138 1.00 0.00 C ATOM 368 C1' DG B 4 0.128 2.768 -6.761 1.00 0.00 C ATOM 369 N9 DG B 4 -0.830 2.242 -5.775 1.00 0.00 N ATOM 370 C8 DG B 4 -2.179 2.320 -5.754 1.00 0.00 C ATOM 371 N7 DG B 4 -2.807 1.630 -4.858 1.00 0.00 N ATOM 372 C5 DG B 4 -1.748 1.009 -4.185 1.00 0.00 C ATOM 373 C6 DG B 4 -1.762 0.105 -3.086 1.00 0.00 C ATOM 374 O6 DG B 4 -2.728 -0.351 -2.474 1.00 0.00 O ATOM 375 N1 DG B 4 -0.477 -0.274 -2.726 1.00 0.00 N ATOM 376 C2 DG B 4 0.684 0.154 -3.336 1.00 0.00 C ATOM 377 N2 DG B 4 1.827 -0.323 -2.838 1.00 0.00 N ATOM 378 N3 DG B 4 0.706 1.001 -4.367 1.00 0.00 N ATOM 379 C4 DG B 4 -0.535 1.386 -4.740 1.00 0.00 C ATOM 0 H5' DG B 4 -0.922 6.260 -7.876 1.00 0.00 H new ATOM 0 H5'' DG B 4 -0.058 6.354 -9.398 1.00 0.00 H new ATOM 0 H4' DG B 4 1.377 5.006 -8.352 1.00 0.00 H new ATOM 0 H3' DG B 4 -0.349 3.399 -9.956 1.00 0.00 H new ATOM 0 H2' DG B 4 -1.264 2.075 -8.256 1.00 0.00 H new ATOM 0 H2'' DG B 4 0.298 1.282 -8.316 1.00 0.00 H new ATOM 0 H1' DG B 4 1.108 2.446 -6.407 1.00 0.00 H new ATOM 0 H8 DG B 4 -2.714 2.937 -6.461 1.00 0.00 H new ATOM 0 H1 DG B 4 -0.383 -0.923 -1.945 1.00 0.00 H new ATOM 0 H21 DG B 4 2.718 -0.043 -3.248 1.00 0.00 H new ATOM 0 H22 DG B 4 1.809 -0.968 -2.048 1.00 0.00 H new ATOM 391 P DC B 5 1.789 1.726 -10.637 1.00 0.00 P ATOM 392 OP1 DC B 5 2.536 2.254 -11.801 1.00 0.00 O ATOM 393 OP2 DC B 5 0.475 1.078 -10.838 1.00 0.00 O ATOM 394 O5' DC B 5 2.745 0.689 -9.851 1.00 0.00 O ATOM 395 C5' DC B 5 3.892 1.151 -9.129 1.00 0.00 C ATOM 396 C4' DC B 5 4.289 0.188 -8.006 1.00 0.00 C ATOM 397 O4' DC B 5 3.323 0.181 -6.939 1.00 0.00 O ATOM 398 C3' DC B 5 4.414 -1.252 -8.482 1.00 0.00 C ATOM 399 O3' DC B 5 5.737 -1.580 -8.910 1.00 0.00 O ATOM 400 C2' DC B 5 4.035 -2.070 -7.279 1.00 0.00 C ATOM 401 C1' DC B 5 3.336 -1.123 -6.316 1.00 0.00 C ATOM 402 N1 DC B 5 1.970 -1.599 -6.025 1.00 0.00 N ATOM 403 C2 DC B 5 1.806 -2.494 -4.978 1.00 0.00 C ATOM 404 O2 DC B 5 2.788 -2.937 -4.385 1.00 0.00 O ATOM 405 N3 DC B 5 0.548 -2.873 -4.649 1.00 0.00 N ATOM 406 C4 DC B 5 -0.512 -2.403 -5.314 1.00 0.00 C ATOM 407 N4 DC B 5 -1.735 -2.794 -4.944 1.00 0.00 N ATOM 408 C5 DC B 5 -0.345 -1.486 -6.407 1.00 0.00 C ATOM 409 C6 DC B 5 0.910 -1.121 -6.723 1.00 0.00 C ATOM 0 H5' DC B 5 3.683 2.134 -8.707 1.00 0.00 H new ATOM 0 H5'' DC B 5 4.729 1.271 -9.817 1.00 0.00 H new ATOM 0 H4' DC B 5 5.255 0.555 -7.659 1.00 0.00 H new ATOM 0 H3' DC B 5 3.782 -1.436 -9.351 1.00 0.00 H new ATOM 0 H2' DC B 5 3.377 -2.892 -7.561 1.00 0.00 H new ATOM 0 H2'' DC B 5 4.918 -2.512 -6.817 1.00 0.00 H new ATOM 0 H1' DC B 5 3.859 -1.076 -5.361 1.00 0.00 H new ATOM 0 H41 DC B 5 -2.554 -2.445 -5.441 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.849 -3.442 -4.165 1.00 0.00 H new ATOM 0 H5 DC B 5 -1.195 -1.104 -6.954 1.00 0.00 H new ATOM 0 H6 DC B 5 1.076 -0.438 -7.543 1.00 0.00 H new ATOM 421 P DC B 6 6.032 -3.042 -9.530 1.00 0.00 P ATOM 422 OP1 DC B 6 7.451 -3.087 -9.949 1.00 0.00 O ATOM 423 OP2 DC B 6 4.966 -3.353 -10.507 1.00 0.00 O ATOM 424 O5' DC B 6 5.852 -4.023 -8.258 1.00 0.00 O ATOM 425 C5' DC B 6 6.928 -4.182 -7.331 1.00 0.00 C ATOM 426 C4' DC B 6 6.696 -5.313 -6.318 1.00 0.00 C ATOM 427 O4' DC B 6 5.506 -5.109 -5.529 1.00 0.00 O ATOM 428 C3' DC B 6 6.570 -6.678 -6.980 1.00 0.00 C ATOM 429 O3' DC B 6 7.829 -7.357 -6.975 1.00 0.00 O ATOM 430 C2' DC B 6 5.541 -7.422 -6.150 1.00 0.00 C ATOM 431 C1' DC B 6 4.895 -6.389 -5.230 1.00 0.00 C ATOM 432 N1 DC B 6 3.425 -6.316 -5.440 1.00 0.00 N ATOM 433 C2 DC B 6 2.590 -7.041 -4.594 1.00 0.00 C ATOM 434 O2 DC B 6 3.068 -7.811 -3.762 1.00 0.00 O ATOM 435 N3 DC B 6 1.244 -6.880 -4.723 1.00 0.00 N ATOM 436 C4 DC B 6 0.728 -6.048 -5.641 1.00 0.00 C ATOM 437 N4 DC B 6 -0.603 -5.885 -5.713 1.00 0.00 N ATOM 438 C5 DC B 6 1.586 -5.312 -6.519 1.00 0.00 C ATOM 439 C6 DC B 6 2.917 -5.483 -6.383 1.00 0.00 C ATOM 0 H5' DC B 6 7.075 -3.246 -6.792 1.00 0.00 H new ATOM 0 H5'' DC B 6 7.847 -4.381 -7.882 1.00 0.00 H new ATOM 0 H4' DC B 6 7.579 -5.291 -5.679 1.00 0.00 H new ATOM 0 H3' DC B 6 6.268 -6.605 -8.025 1.00 0.00 H new ATOM 0 H2' DC B 6 4.794 -7.893 -6.789 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.011 -8.217 -5.571 1.00 0.00 H new ATOM 0 H1' DC B 6 5.053 -6.669 -4.189 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.003 -5.254 -6.408 1.00 0.00 H new ATOM 0 H42 DC B 6 -1.214 -6.392 -5.073 1.00 0.00 H new ATOM 0 H5 DC B 6 1.182 -4.643 -7.264 1.00 0.00 H new ATOM 0 H6 DC B 6 3.590 -4.948 -7.036 1.00 0.00 H new ATOM 451 P DA B 7 8.081 -8.623 -7.933 1.00 0.00 P ATOM 452 OP1 DA B 7 9.448 -8.517 -8.492 1.00 0.00 O ATOM 453 OP2 DA B 7 6.921 -8.757 -8.842 1.00 0.00 O ATOM 454 O5' DA B 7 8.055 -9.852 -6.896 1.00 0.00 O ATOM 455 C5' DA B 7 8.624 -9.716 -5.590 1.00 0.00 C ATOM 456 C4' DA B 7 8.264 -10.906 -4.697 1.00 0.00 C ATOM 457 O4' DA B 7 6.926 -10.748 -4.163 1.00 0.00 O ATOM 458 C3' DA B 7 8.310 -12.227 -5.467 1.00 0.00 C ATOM 459 O3' DA B 7 9.044 -13.216 -4.728 1.00 0.00 O ATOM 460 C2' DA B 7 6.875 -12.652 -5.608 1.00 0.00 C ATOM 461 C1' DA B 7 6.061 -11.796 -4.653 1.00 0.00 C ATOM 462 N9 DA B 7 4.874 -11.241 -5.327 1.00 0.00 N ATOM 463 C8 DA B 7 4.790 -10.503 -6.458 1.00 0.00 C ATOM 464 N7 DA B 7 3.611 -10.211 -6.894 1.00 0.00 N ATOM 465 C5 DA B 7 2.796 -10.824 -5.936 1.00 0.00 C ATOM 466 C6 DA B 7 1.407 -10.908 -5.790 1.00 0.00 C ATOM 467 N6 DA B 7 0.563 -10.360 -6.656 1.00 0.00 N ATOM 468 N1 DA B 7 0.926 -11.586 -4.726 1.00 0.00 N ATOM 469 C2 DA B 7 1.778 -12.148 -3.856 1.00 0.00 C ATOM 470 N3 DA B 7 3.109 -12.132 -3.905 1.00 0.00 N ATOM 471 C4 DA B 7 3.555 -11.448 -4.977 1.00 0.00 C ATOM 0 H5' DA B 7 8.268 -8.794 -5.131 1.00 0.00 H new ATOM 0 H5'' DA B 7 9.708 -9.634 -5.670 1.00 0.00 H new ATOM 0 H4' DA B 7 9.000 -10.932 -3.893 1.00 0.00 H new ATOM 0 H3' DA B 7 8.805 -12.115 -6.432 1.00 0.00 H new ATOM 0 H2' DA B 7 6.532 -12.517 -6.634 1.00 0.00 H new ATOM 0 H2'' DA B 7 6.761 -13.710 -5.370 1.00 0.00 H new ATOM 0 H1' DA B 7 5.694 -12.396 -3.820 1.00 0.00 H new ATOM 0 H8 DA B 7 5.677 -10.171 -6.977 1.00 0.00 H new ATOM 0 H61 DA B 7 -0.443 -10.445 -6.511 1.00 0.00 H new ATOM 0 H62 DA B 7 0.921 -9.854 -7.466 1.00 0.00 H new ATOM 0 H2 DA B 7 1.335 -12.672 -3.022 1.00 0.00 H new ATOM 483 P DA B 8 9.304 -14.684 -5.347 1.00 0.00 P ATOM 484 OP1 DA B 8 10.544 -15.223 -4.747 1.00 0.00 O ATOM 485 OP2 DA B 8 9.180 -14.591 -6.819 1.00 0.00 O ATOM 486 O5' DA B 8 8.058 -15.550 -4.792 1.00 0.00 O ATOM 487 C5' DA B 8 7.623 -15.423 -3.434 1.00 0.00 C ATOM 488 C4' DA B 8 6.333 -16.216 -3.155 1.00 0.00 C ATOM 489 O4' DA B 8 5.171 -15.454 -3.574 1.00 0.00 O ATOM 490 C3' DA B 8 6.301 -17.564 -3.891 1.00 0.00 C ATOM 491 O3' DA B 8 6.078 -18.631 -2.963 1.00 0.00 O ATOM 492 C2' DA B 8 5.133 -17.473 -4.849 1.00 0.00 C ATOM 493 C1' DA B 8 4.319 -16.261 -4.418 1.00 0.00 C ATOM 494 N9 DA B 8 3.836 -15.502 -5.591 1.00 0.00 N ATOM 495 C8 DA B 8 4.537 -14.922 -6.592 1.00 0.00 C ATOM 496 N7 DA B 8 3.874 -14.350 -7.537 1.00 0.00 N ATOM 497 C5 DA B 8 2.558 -14.567 -7.127 1.00 0.00 C ATOM 498 C6 DA B 8 1.327 -14.214 -7.685 1.00 0.00 C ATOM 499 N6 DA B 8 1.215 -13.544 -8.830 1.00 0.00 N ATOM 500 N1 DA B 8 0.217 -14.583 -7.023 1.00 0.00 N ATOM 501 C2 DA B 8 0.310 -15.260 -5.877 1.00 0.00 C ATOM 502 N3 DA B 8 1.425 -15.647 -5.258 1.00 0.00 N ATOM 503 C4 DA B 8 2.523 -15.265 -5.943 1.00 0.00 C ATOM 0 H5' DA B 8 7.456 -14.370 -3.206 1.00 0.00 H new ATOM 0 H5'' DA B 8 8.412 -15.772 -2.768 1.00 0.00 H new ATOM 0 H4' DA B 8 6.314 -16.400 -2.081 1.00 0.00 H new ATOM 0 H3' DA B 8 7.242 -17.764 -4.404 1.00 0.00 H new ATOM 0 H2' DA B 8 5.481 -17.362 -5.876 1.00 0.00 H new ATOM 0 H2'' DA B 8 4.529 -18.380 -4.813 1.00 0.00 H new ATOM 0 HO3' DA B 8 6.058 -19.484 -3.444 1.00 0.00 H new ATOM 0 H1' DA B 8 3.429 -16.568 -3.868 1.00 0.00 H new ATOM 0 H8 DA B 8 5.617 -14.938 -6.599 1.00 0.00 H new ATOM 0 H61 DA B 8 0.292 -13.310 -9.196 1.00 0.00 H new ATOM 0 H62 DA B 8 2.052 -13.265 -9.341 1.00 0.00 H new ATOM 0 H2 DA B 8 -0.621 -15.524 -5.398 1.00 0.00 H new TER 516 DA B 8 HETATM 517 C1 DDA B 9 10.379 -5.252 -3.774 1.00 0.03 C HETATM 518 C2 DDA B 9 9.530 -6.458 -3.329 1.00 0.09 C HETATM 519 C3 DDA B 9 10.255 -7.356 -2.313 1.00 0.03 C HETATM 520 C4 DDA B 9 11.718 -7.556 -2.699 1.00 0.01 C HETATM 521 C5 DDA B 9 12.384 -6.237 -3.072 1.00 0.01 C HETATM 522 C6 DDA B 9 13.839 -6.441 -3.494 1.00 0.01 C HETATM 523 O5 DDA B 9 11.673 -5.670 -4.140 1.00 0.00 O HETATM 524 O1 DDA B 9 9.777 -4.652 -4.912 1.00 0.00 O HETATM 525 O4 DDA B 9 12.412 -8.118 -1.615 1.00 0.00 O HETATM 0 HO4 DDA B 9 11.909 -8.883 -1.266 1.00 0.00 H new HETATM 0 H63 DDA B 9 14.397 -6.887 -2.671 1.00 0.01 H new HETATM 0 H62 DDA B 9 13.877 -7.102 -4.360 1.00 0.01 H new HETATM 0 H61 DDA B 9 14.281 -5.479 -3.753 1.00 0.01 H new HETATM 0 H5 DDA B 9 12.375 -5.583 -2.200 1.00 0.01 H new HETATM 0 H4 DDA B 9 11.748 -8.218 -3.565 1.00 0.01 H new HETATM 0 H22 DDA B 9 8.599 -6.099 -2.890 1.00 0.09 H new HETATM 0 H21 DDA B 9 9.262 -7.050 -4.204 1.00 0.09 H new HETATM 0 H1 DDA B 9 10.439 -4.547 -2.945 1.00 0.03 H new HETATM 536 C1 DDL B 10 9.402 -9.159 -0.999 1.00 0.01 C HETATM 537 C2 DDL B 10 8.732 -10.529 -1.105 1.00 0.02 C HETATM 538 C3 DDL B 10 8.566 -11.165 0.271 1.00 0.01 C HETATM 539 C4 DDL B 10 9.874 -11.096 1.061 1.00 0.00 C HETATM 540 C5 DDL B 10 10.504 -9.700 1.001 1.00 0.00 C HETATM 541 C6 DDL B 10 11.884 -9.682 1.660 1.00 0.01 C HETATM 542 O1 DDL B 10 9.616 -8.627 -2.296 1.00 0.00 O HETATM 543 O5 DDL B 10 10.640 -9.304 -0.347 1.00 0.00 O HETATM 544 O4 DDL B 10 10.779 -12.027 0.524 1.00 0.00 O HETATM 0 HO4 DDL B 10 10.288 -12.703 0.012 1.00 0.00 H new HETATM 0 H63 DDL B 10 11.792 -9.975 2.706 1.00 0.01 H new HETATM 0 H62 DDL B 10 12.543 -10.381 1.144 1.00 0.01 H new HETATM 0 H61 DDL B 10 12.303 -8.677 1.600 1.00 0.01 H new HETATM 0 H5 DDL B 10 9.851 -9.013 1.540 1.00 0.00 H new HETATM 0 H4 DDL B 10 9.652 -11.322 2.104 1.00 0.00 H new HETATM 0 H22 DDL B 10 7.757 -10.425 -1.581 1.00 0.02 H new HETATM 0 H21 DDL B 10 9.330 -11.182 -1.741 1.00 0.02 H new HETATM 0 H1 DDL B 10 8.760 -8.483 -0.435 1.00 0.01 H new HETATM 555 O1 DRI B 11 8.190 -12.535 0.104 1.00 0.00 O HETATM 556 C1 DRI B 11 6.922 -12.896 0.649 1.00 0.01 C HETATM 557 C5 DRI B 11 5.936 -14.028 2.420 1.00 0.02 C HETATM 558 C2 DRI B 11 6.036 -13.525 -0.423 1.00 0.04 C HETATM 559 C3 DRI B 11 4.677 -13.916 0.166 1.00 0.02 C HETATM 560 O3 DRI B 11 4.013 -14.795 -0.726 1.00 0.00 O HETATM 561 C4 DRI B 11 4.831 -14.636 1.526 1.00 0.01 C HETATM 562 O4 DRI B 11 3.587 -14.625 2.217 1.00 0.00 O HETATM 563 CME DRI B 11 3.194 -13.370 2.746 1.00 0.00 C HETATM 564 O5 DRI B 11 7.110 -13.842 1.665 1.00 0.00 O HETATM 565 C6 DRI B 11 6.255 -14.941 3.605 1.00 0.00 C HETATM 0 H63 DRI B 11 5.358 -15.081 4.208 1.00 0.00 H new HETATM 0 H62 DRI B 11 6.599 -15.908 3.237 1.00 0.00 H new HETATM 0 H61 DRI B 11 7.036 -14.486 4.215 1.00 0.00 H new HETATM 0 H5 DRI B 11 5.571 -13.073 2.798 1.00 0.02 H new HETATM 0 H43 DRI B 11 3.944 -13.024 3.458 1.00 0.00 H new HETATM 0 H42 DRI B 11 3.102 -12.646 1.936 1.00 0.00 H new HETATM 0 H41 DRI B 11 2.234 -13.473 3.252 1.00 0.00 H new HETATM 0 H4 DRI B 11 5.137 -15.659 1.308 1.00 0.01 H new HETATM 0 H3 DRI B 11 4.105 -13.000 0.314 1.00 0.02 H new HETATM 0 H22 DRI B 11 5.894 -12.823 -1.244 1.00 0.04 H new HETATM 0 H21 DRI B 11 6.526 -14.406 -0.838 1.00 0.04 H new HETATM 0 H1 DRI B 11 6.445 -11.996 1.036 1.00 0.01 H new HETATM 578 C1 DDA B 12 2.601 -14.772 -0.583 1.00 0.00 C HETATM 579 C2 DDA B 12 1.924 -15.162 -1.875 1.00 0.01 C HETATM 580 C3 DDA B 12 0.428 -14.976 -1.702 1.00 0.00 C HETATM 581 C4 DDA B 12 -0.070 -15.752 -0.479 1.00 0.00 C HETATM 582 C5 DDA B 12 0.829 -15.531 0.756 1.00 0.00 C HETATM 583 C6 DDA B 12 0.495 -16.525 1.869 1.00 0.01 C HETATM 584 O5 DDA B 12 2.195 -15.689 0.403 1.00 0.00 O HETATM 585 O3 DDA B 12 -0.236 -15.439 -2.851 1.00 0.00 O HETATM 586 O4 DDA B 12 -1.371 -15.322 -0.172 1.00 0.00 O HETATM 0 HO4 DDA B 12 -1.819 -16.000 0.376 1.00 0.00 H new HETATM 0 HO3 DDA B 12 0.356 -15.354 -3.627 1.00 0.00 H new HETATM 0 H63 DDA B 12 -0.545 -16.399 2.170 1.00 0.01 H new HETATM 0 H62 DDA B 12 0.647 -17.542 1.507 1.00 0.01 H new HETATM 0 H61 DDA B 12 1.145 -16.344 2.725 1.00 0.01 H new HETATM 0 H5 DDA B 12 0.648 -14.518 1.115 1.00 0.00 H new HETATM 0 H4 DDA B 12 -0.049 -16.814 -0.724 1.00 0.00 H new HETATM 0 H3 DDA B 12 0.220 -13.916 -1.555 1.00 0.00 H new HETATM 0 H22 DDA B 12 2.291 -14.547 -2.697 1.00 0.01 H new HETATM 0 H21 DDA B 12 2.152 -16.198 -2.126 1.00 0.01 H new HETATM 598 C1 DDA A 9 10.424 -0.007 -1.276 1.00 0.03 C HETATM 599 C2 DDA A 9 9.602 1.214 -1.733 1.00 0.09 C HETATM 600 C3 DDA A 9 10.352 2.101 -2.743 1.00 0.03 C HETATM 601 C4 DDA A 9 11.817 2.270 -2.342 1.00 0.01 C HETATM 602 C5 DDA A 9 12.454 0.939 -1.958 1.00 0.01 C HETATM 603 C6 DDA A 9 13.908 1.115 -1.519 1.00 0.01 C HETATM 604 O5 DDA A 9 11.722 0.389 -0.897 1.00 0.00 O HETATM 605 O1 DDA A 9 9.802 -0.593 -0.142 1.00 0.00 O HETATM 606 O4 DDA A 9 12.535 2.818 -3.417 1.00 0.00 O HETATM 0 HO4 DDA A 9 11.947 2.897 -4.197 1.00 0.00 H new HETATM 0 H63 DDA A 9 14.485 1.548 -2.336 1.00 0.01 H new HETATM 0 H62 DDA A 9 13.949 1.777 -0.654 1.00 0.01 H new HETATM 0 H61 DDA A 9 14.328 0.145 -1.253 1.00 0.01 H new HETATM 0 H5 DDA A 9 12.442 0.284 -2.829 1.00 0.01 H new HETATM 0 H4 DDA A 9 11.850 2.932 -1.476 1.00 0.01 H new HETATM 0 H22 DDA A 9 8.670 0.870 -2.182 1.00 0.09 H new HETATM 0 H21 DDA A 9 9.335 1.812 -0.862 1.00 0.09 H new HETATM 0 H1 DDA A 9 10.478 -0.715 -2.103 1.00 0.03 H new HETATM 617 C1 DDL A 10 9.552 3.923 -4.056 1.00 0.01 C HETATM 618 C2 DDL A 10 8.912 5.307 -3.957 1.00 0.02 C HETATM 619 C3 DDL A 10 8.773 5.946 -5.334 1.00 0.01 C HETATM 620 C4 DDL A 10 10.086 5.849 -6.111 1.00 0.00 C HETATM 621 C5 DDL A 10 10.687 4.440 -6.046 1.00 0.00 C HETATM 622 C6 DDL A 10 12.073 4.392 -6.691 1.00 0.01 C HETATM 623 O1 DDL A 10 9.742 3.384 -2.759 1.00 0.00 O HETATM 624 O5 DDL A 10 10.800 4.041 -4.696 1.00 0.00 O HETATM 625 O4 DDL A 10 11.005 6.760 -5.564 1.00 0.00 O HETATM 0 HO4 DDL A 10 10.521 7.473 -5.097 1.00 0.00 H new HETATM 0 H63 DDL A 10 11.998 4.687 -7.738 1.00 0.01 H new HETATM 0 H62 DDL A 10 12.741 5.076 -6.169 1.00 0.01 H new HETATM 0 H61 DDL A 10 12.469 3.379 -6.627 1.00 0.01 H new HETATM 0 H5 DDL A 10 10.026 3.767 -6.593 1.00 0.00 H new HETATM 0 H4 DDL A 10 9.878 6.079 -7.156 1.00 0.00 H new HETATM 0 H22 DDL A 10 7.931 5.225 -3.490 1.00 0.02 H new HETATM 0 H21 DDL A 10 9.518 5.946 -3.315 1.00 0.02 H new HETATM 0 H1 DDL A 10 8.899 3.262 -4.626 1.00 0.01 H new HETATM 636 O1 DRI A 11 8.421 7.322 -5.171 1.00 0.00 O HETATM 637 C1 DRI A 11 7.165 7.706 -5.728 1.00 0.01 C HETATM 638 C5 DRI A 11 6.219 8.855 -7.511 1.00 0.02 C HETATM 639 C2 DRI A 11 6.280 8.352 -4.666 1.00 0.04 C HETATM 640 C3 DRI A 11 4.936 8.770 -5.269 1.00 0.02 C HETATM 641 O3 DRI A 11 4.282 9.664 -4.384 1.00 0.00 O HETATM 642 C4 DRI A 11 5.118 9.486 -6.628 1.00 0.01 C HETATM 643 O4 DRI A 11 3.881 9.500 -7.331 1.00 0.00 O HETATM 644 CME DRI A 11 3.468 8.253 -7.862 1.00 0.00 C HETATM 645 O5 DRI A 11 7.381 8.647 -6.744 1.00 0.00 O HETATM 646 C6 DRI A 11 6.568 9.760 -8.693 1.00 0.00 C HETATM 0 H63 DRI A 11 5.680 9.917 -9.305 1.00 0.00 H new HETATM 0 H62 DRI A 11 6.928 10.720 -8.322 1.00 0.00 H new HETATM 0 H61 DRI A 11 7.345 9.289 -9.295 1.00 0.00 H new HETATM 0 H5 DRI A 11 5.839 7.907 -7.892 1.00 0.02 H new HETATM 0 H43 DRI A 11 4.218 7.891 -8.566 1.00 0.00 H new HETATM 0 H42 DRI A 11 3.353 7.533 -7.052 1.00 0.00 H new HETATM 0 H41 DRI A 11 2.515 8.375 -8.377 1.00 0.00 H new HETATM 0 H4 DRI A 11 5.443 10.503 -6.408 1.00 0.01 H new HETATM 0 H3 DRI A 11 4.347 7.866 -5.423 1.00 0.02 H new HETATM 0 H22 DRI A 11 6.116 7.652 -3.847 1.00 0.04 H new HETATM 0 H21 DRI A 11 6.783 9.223 -4.246 1.00 0.04 H new HETATM 0 H1 DRI A 11 6.674 6.814 -6.118 1.00 0.01 H new HETATM 659 C1 DDA A 12 2.872 9.669 -4.541 1.00 0.00 C HETATM 660 C2 DDA A 12 2.190 10.072 -3.255 1.00 0.01 C HETATM 661 C3 DDA A 12 0.693 9.918 -3.441 1.00 0.00 C HETATM 662 C4 DDA A 12 0.223 10.702 -4.671 1.00 0.00 C HETATM 663 C5 DDA A 12 1.129 10.463 -5.898 1.00 0.00 C HETATM 664 C6 DDA A 12 0.826 11.462 -7.015 1.00 0.01 C HETATM 665 O5 DDA A 12 2.494 10.594 -5.531 1.00 0.00 O HETATM 666 O3 DDA A 12 0.029 10.398 -2.300 1.00 0.00 O HETATM 667 O4 DDA A 12 -1.084 10.298 -4.991 1.00 0.00 O HETATM 0 HO4 DDA A 12 -1.512 10.984 -5.545 1.00 0.00 H new HETATM 0 HO3 DDA A 12 0.599 10.273 -1.513 1.00 0.00 H new HETATM 0 H63 DDA A 12 -0.213 11.356 -7.326 1.00 0.01 H new HETATM 0 H62 DDA A 12 0.995 12.476 -6.652 1.00 0.01 H new HETATM 0 H61 DDA A 12 1.480 11.267 -7.865 1.00 0.01 H new HETATM 0 H5 DDA A 12 0.931 9.454 -6.260 1.00 0.00 H new HETATM 0 H4 DDA A 12 0.264 11.763 -4.426 1.00 0.00 H new HETATM 0 H3 DDA A 12 0.463 8.863 -3.587 1.00 0.00 H new HETATM 0 H22 DDA A 12 2.536 9.449 -2.430 1.00 0.01 H new HETATM 0 H21 DDA A 12 2.437 11.103 -3.001 1.00 0.01 H new HETATM 679 C1 DDA B 13 6.084 4.536 -8.698 1.00 0.00 C HETATM 680 C2 DDA B 13 4.916 5.341 -9.275 1.00 0.01 C HETATM 681 C3 DDA B 13 4.995 5.438 -10.803 1.00 0.01 C HETATM 682 C4 DDA B 13 6.419 5.715 -11.294 1.00 0.00 C HETATM 683 C5 DDA B 13 7.451 4.863 -10.556 1.00 0.01 C HETATM 684 C6 DDA B 13 8.881 5.237 -10.944 1.00 0.01 C HETATM 685 O5 DDA B 13 7.293 5.064 -9.176 1.00 0.00 O HETATM 686 O1 DDA B 13 6.094 4.644 -7.258 1.00 0.00 O HETATM 687 O3 DDA B 13 4.159 6.483 -11.232 1.00 0.00 O HETATM 688 O4 DDA B 13 6.489 5.423 -12.666 1.00 0.01 O HETATM 0 HO4 DDA B 13 7.261 5.881 -13.059 1.00 0.01 H new HETATM 0 HO3 DDA B 13 4.202 6.557 -12.208 1.00 0.00 H new HETATM 0 H63 DDA B 13 9.018 5.088 -12.015 1.00 0.01 H new HETATM 0 H62 DDA B 13 9.063 6.283 -10.697 1.00 0.01 H new HETATM 0 H61 DDA B 13 9.583 4.608 -10.397 1.00 0.01 H new HETATM 0 H5 DDA B 13 7.288 3.820 -10.828 1.00 0.01 H new HETATM 0 H4 DDA B 13 6.646 6.764 -11.102 1.00 0.00 H new HETATM 0 H3 DDA B 13 4.680 4.480 -11.216 1.00 0.01 H new HETATM 0 H22 DDA B 13 3.974 4.873 -8.988 1.00 0.01 H new HETATM 0 H21 DDA B 13 4.917 6.343 -8.846 1.00 0.01 H new HETATM 0 H1 DDA B 13 5.971 3.494 -8.997 1.00 0.00 H new HETATM 700 C1 DDA A 13 5.874 -9.699 3.626 1.00 0.00 C HETATM 701 C2 DDA A 13 4.688 -10.482 4.190 1.00 0.01 C HETATM 702 C3 DDA A 13 4.752 -10.578 5.718 1.00 0.01 C HETATM 703 C4 DDA A 13 6.166 -10.882 6.223 1.00 0.00 C HETATM 704 C5 DDA A 13 7.221 -10.052 5.492 1.00 0.01 C HETATM 705 C6 DDA A 13 8.640 -10.455 5.893 1.00 0.01 C HETATM 706 O5 DDA A 13 7.070 -10.250 4.112 1.00 0.00 O HETATM 707 O1 DDA A 13 5.891 -9.799 2.186 1.00 0.00 O HETATM 708 O3 DDA A 13 3.891 -11.604 6.142 1.00 0.00 O HETATM 709 O4 DDA A 13 6.229 -10.589 7.595 1.00 0.01 O HETATM 0 HO4 DDA A 13 6.988 -11.062 7.996 1.00 0.01 H new HETATM 0 HO3 DDA A 13 3.925 -11.676 7.119 1.00 0.00 H new HETATM 0 H63 DDA A 13 8.771 -10.307 6.965 1.00 0.01 H new HETATM 0 H62 DDA A 13 8.803 -11.505 5.649 1.00 0.01 H new HETATM 0 H61 DDA A 13 9.359 -9.841 5.351 1.00 0.01 H new HETATM 0 H5 DDA A 13 7.077 -9.006 5.761 1.00 0.01 H new HETATM 0 H4 DDA A 13 6.374 -11.935 6.036 1.00 0.00 H new HETATM 0 H3 DDA A 13 4.453 -9.612 6.126 1.00 0.01 H new HETATM 0 H22 DDA A 13 3.757 -9.998 3.894 1.00 0.01 H new HETATM 0 H21 DDA A 13 4.676 -11.484 3.762 1.00 0.01 H new HETATM 0 H1 DDA A 13 5.780 -8.656 3.928 1.00 0.00 H new HETATM 721 MG MG B 14 5.697 -2.714 -2.680 1.00 0.00 MG HETATM 722 C1 DXA B 15 8.609 -2.559 -4.732 1.00 0.00 C HETATM 723 O1 DXA B 15 7.781 -3.114 -4.072 1.00 0.00 O HETATM 724 C9A DXA B 15 8.362 -1.212 -5.293 1.00 0.00 C HETATM 725 C2 DXA B 15 9.962 -3.247 -5.023 1.00 0.00 C HETATM 726 C3 DXA B 15 10.441 -2.904 -6.449 1.00 0.01 C HETATM 727 C4 DXA B 15 10.572 -1.377 -6.636 1.00 0.01 C HETATM 728 C4A DXA B 15 9.311 -0.630 -6.258 1.00 0.00 C HETATM 729 C10 DXA B 15 9.034 0.683 -6.822 1.00 0.01 C HETATM 730 C5A DXA B 15 7.847 1.392 -6.425 1.00 0.01 C HETATM 731 C5 DXA B 15 7.598 2.677 -7.005 1.00 0.01 C HETATM 732 C6 DXA B 15 6.397 3.422 -6.632 1.00 0.01 C HETATM 733 C7 DXA B 15 5.457 2.863 -5.654 1.00 0.00 C HETATM 734 C8 DXA B 15 5.720 1.545 -5.095 1.00 0.01 C HETATM 735 O8 DXA B 15 4.770 0.949 -4.298 1.00 0.00 O HETATM 736 C8A DXA B 15 6.917 0.819 -5.475 1.00 0.00 C HETATM 737 C9 DXA B 15 7.167 -0.485 -4.905 1.00 0.00 C HETATM 738 O9 DXA B 15 6.370 -0.972 -4.120 1.00 0.00 O HETATM 739 CME DXA B 15 11.137 -5.601 -7.774 1.00 0.00 C HETATM 740 C6' DXA B 15 4.313 3.706 -5.121 1.00 0.02 C HETATM 741 C1' DXA B 15 11.780 -3.585 -6.741 1.00 0.00 C HETATM 742 O1' DXA B 15 11.647 -4.985 -6.612 1.00 0.00 O HETATM 743 C2' DXA B 15 12.831 -3.090 -5.745 1.00 0.00 C HETATM 744 O2' DXA B 15 12.895 -3.527 -4.636 1.00 0.00 O HETATM 745 C3' DXA B 15 13.797 -2.010 -6.235 1.00 0.00 C HETATM 746 O3' DXA B 15 13.626 -0.845 -5.468 1.00 0.00 O HETATM 747 C4' DXA B 15 15.239 -2.500 -6.104 1.00 0.00 C HETATM 748 O4' DXA B 15 16.100 -1.510 -6.605 1.00 0.00 O HETATM 749 C5' DXA B 15 15.474 -3.796 -6.881 1.00 0.00 C HETATM 750 C7' DXA B 15 3.376 4.157 -6.245 1.00 0.01 C HETATM 751 C8' DXA B 15 4.882 4.918 -4.372 1.00 0.00 C HETATM 752 C9' DXA B 15 3.781 5.884 -3.934 1.00 0.00 C HETATM 0 HO8 DXA B 15 5.186 0.236 -3.770 1.00 0.00 H new HETATM 0 HO4 DXA B 15 17.029 -1.813 -6.524 1.00 0.00 H new HETATM 0 HO3 DXA B 15 14.467 -0.343 -5.444 1.00 0.00 H new HETATM 0 H93 DXA B 15 3.244 6.246 -4.811 1.00 0.00 H new HETATM 0 H92 DXA B 15 3.087 5.368 -3.271 1.00 0.00 H new HETATM 0 H91 DXA B 15 4.226 6.728 -3.407 1.00 0.00 H new HETATM 0 H82 DXA B 15 5.436 4.577 -3.497 1.00 0.00 H new HETATM 0 H81 DXA B 15 5.591 5.442 -5.014 1.00 0.00 H new HETATM 0 H73 DXA B 15 3.935 4.752 -6.968 1.00 0.01 H new HETATM 0 H72 DXA B 15 2.957 3.282 -6.742 1.00 0.01 H new HETATM 0 H71 DXA B 15 2.569 4.758 -5.827 1.00 0.01 H new HETATM 0 H6' DXA B 15 3.724 3.098 -4.435 1.00 0.02 H new HETATM 0 H53 DXA B 15 14.813 -4.574 -6.499 1.00 0.00 H new HETATM 0 H52 DXA B 15 15.265 -3.630 -7.938 1.00 0.00 H new HETATM 0 H51 DXA B 15 16.511 -4.109 -6.761 1.00 0.00 H new HETATM 0 H5 DXA B 15 8.302 3.099 -7.723 1.00 0.01 H new HETATM 0 H4E DXA B 15 11.401 -1.011 -6.030 1.00 0.01 H new HETATM 0 H4A DXA B 15 10.818 -1.163 -7.676 1.00 0.01 H new HETATM 0 H4' DXA B 15 15.435 -2.697 -5.050 1.00 0.00 H new HETATM 0 H3' DXA B 15 13.588 -1.793 -7.282 1.00 0.00 H new HETATM 0 H3 DXA B 15 9.695 -3.274 -7.152 1.00 0.01 H new HETATM 0 H22 DXA B 15 10.706 -2.924 -4.295 1.00 0.00 H new HETATM 0 H13 DXA B 15 10.151 -5.195 -7.998 1.00 0.00 H new HETATM 0 H12 DXA B 15 11.807 -5.409 -8.612 1.00 0.00 H new HETATM 0 H11 DXA B 15 11.058 -6.676 -7.611 1.00 0.00 H new HETATM 0 H10 DXA B 15 9.722 1.127 -7.541 1.00 0.01 H new HETATM 0 H1' DXA B 15 12.088 -3.342 -7.758 1.00 0.00 H new HETATM 780 C1 DXA A 14 8.597 -2.665 -0.335 1.00 0.00 C HETATM 781 O1 DXA A 14 7.787 -2.095 -1.005 1.00 0.00 O HETATM 782 C9A DXA A 14 8.317 -4.006 0.226 1.00 0.00 C HETATM 783 C2 DXA A 14 9.958 -2.001 -0.026 1.00 0.00 C HETATM 784 C3 DXA A 14 10.412 -2.350 1.408 1.00 0.01 C HETATM 785 C4 DXA A 14 10.508 -3.879 1.601 1.00 0.01 C HETATM 786 C4A DXA A 14 9.234 -4.598 1.214 1.00 0.00 C HETATM 787 C10 DXA A 14 8.917 -5.900 1.788 1.00 0.01 C HETATM 788 C5A DXA A 14 7.721 -6.585 1.378 1.00 0.01 C HETATM 789 C5 DXA A 14 7.426 -7.857 1.969 1.00 0.01 C HETATM 790 C6 DXA A 14 6.225 -8.581 1.569 1.00 0.01 C HETATM 791 C7 DXA A 14 5.322 -8.013 0.562 1.00 0.00 C HETATM 792 C8 DXA A 14 5.623 -6.708 -0.002 1.00 0.01 C HETATM 793 O8 DXA A 14 4.700 -6.100 -0.817 1.00 0.00 O HETATM 794 C8A DXA A 14 6.826 -6.003 0.399 1.00 0.00 C HETATM 795 C9 DXA A 14 7.116 -4.711 -0.179 1.00 0.00 C HETATM 796 O9 DXA A 14 6.340 -4.210 -0.976 1.00 0.00 O HETATM 797 CME DXA A 14 11.150 0.334 2.738 1.00 0.00 C HETATM 798 C6' DXA A 14 4.169 -8.832 0.016 1.00 0.02 C HETATM 799 C1' DXA A 14 11.761 -1.695 1.713 1.00 0.00 C HETATM 800 O1' DXA A 14 11.657 -0.294 1.582 1.00 0.00 O HETATM 801 C2' DXA A 14 12.812 -2.212 0.728 1.00 0.00 C HETATM 802 O2' DXA A 14 12.895 -1.778 -0.380 1.00 0.00 O HETATM 803 C3' DXA A 14 13.750 -3.312 1.228 1.00 0.00 C HETATM 804 O3' DXA A 14 13.563 -4.474 0.461 1.00 0.00 O HETATM 805 C4' DXA A 14 15.203 -2.851 1.111 1.00 0.00 C HETATM 806 O4' DXA A 14 16.039 -3.859 1.621 1.00 0.00 O HETATM 807 C5' DXA A 14 15.458 -1.560 1.890 1.00 0.00 C HETATM 808 C7' DXA A 14 3.207 -9.249 1.129 1.00 0.01 C HETATM 809 C8' DXA A 14 4.724 -10.061 -0.716 1.00 0.00 C HETATM 810 C9' DXA A 14 3.612 -11.011 -1.158 1.00 0.00 C HETATM 0 HO8 DXA A 14 5.128 -5.366 -1.306 1.00 0.00 H new HETATM 0 HO4 DXA A 14 16.974 -3.575 1.550 1.00 0.00 H new HETATM 0 HO3 DXA A 14 14.379 -5.017 0.485 1.00 0.00 H new HETATM 0 H93 DXA A 14 3.059 -11.355 -0.284 1.00 0.00 H new HETATM 0 H92 DXA A 14 2.934 -10.489 -1.834 1.00 0.00 H new HETATM 0 H91 DXA A 14 4.048 -11.867 -1.672 1.00 0.00 H new HETATM 0 H82 DXA A 14 5.293 -9.738 -1.588 1.00 0.00 H new HETATM 0 H81 DXA A 14 5.416 -10.591 -0.062 1.00 0.00 H new HETATM 0 H73 DXA A 14 3.741 -9.850 1.865 1.00 0.01 H new HETATM 0 H72 DXA A 14 2.802 -8.360 1.612 1.00 0.01 H new HETATM 0 H71 DXA A 14 2.392 -9.835 0.705 1.00 0.01 H new HETATM 0 H6' DXA A 14 3.603 -8.219 -0.686 1.00 0.02 H new HETATM 0 H53 DXA A 14 14.817 -0.768 1.502 1.00 0.00 H new HETATM 0 H52 DXA A 14 15.236 -1.722 2.945 1.00 0.00 H new HETATM 0 H51 DXA A 14 16.503 -1.269 1.779 1.00 0.00 H new HETATM 0 H5 DXA A 14 8.097 -8.282 2.715 1.00 0.01 H new HETATM 0 H4E DXA A 14 11.334 -4.265 1.004 1.00 0.01 H new HETATM 0 H4A DXA A 14 10.740 -4.096 2.644 1.00 0.01 H new HETATM 0 H4' DXA A 14 15.412 -2.657 0.059 1.00 0.00 H new HETATM 0 H3' DXA A 14 13.525 -3.525 2.273 1.00 0.00 H new HETATM 0 H3 DXA A 14 9.666 -1.964 2.102 1.00 0.01 H new HETATM 0 H22 DXA A 14 10.706 -2.338 -0.744 1.00 0.00 H new HETATM 0 H13 DXA A 14 10.154 -0.052 2.954 1.00 0.00 H new HETATM 0 H12 DXA A 14 11.809 0.130 3.582 1.00 0.00 H new HETATM 0 H11 DXA A 14 11.095 1.410 2.573 1.00 0.00 H new HETATM 0 H10 DXA A 14 9.583 -6.352 2.524 1.00 0.01 H new HETATM 0 H1' DXA A 14 12.054 -1.943 2.733 1.00 0.00 H new CONECT 517 518 523 524 526 CONECT 518 517 519 527 528 CONECT 519 518 520 529 542 CONECT 520 519 521 525 530 CONECT 521 520 522 523 531 CONECT 522 521 532 533 534 CONECT 523 517 521 CONECT 524 517 725 CONECT 525 520 535 CONECT 526 517 CONECT 527 518 CONECT 528 518 CONECT 529 519 CONECT 530 520 CONECT 531 521 CONECT 532 522 CONECT 533 522 CONECT 534 522 CONECT 535 525 CONECT 536 537 542 543 545 CONECT 537 536 538 546 547 CONECT 538 537 539 548 555 CONECT 539 538 540 544 549 CONECT 540 539 541 543 550 CONECT 541 540 551 552 553 CONECT 542 519 536 CONECT 543 536 540 CONECT 544 539 554 CONECT 545 536 CONECT 546 537 CONECT 547 537 CONECT 548 538 CONECT 549 539 CONECT 550 540 CONECT 551 541 CONECT 552 541 CONECT 553 541 CONECT 554 544 CONECT 555 538 556 CONECT 556 555 558 564 566 CONECT 557 561 564 565 567 CONECT 558 556 559 568 569 CONECT 559 558 560 561 570 CONECT 560 559 578 CONECT 561 557 559 562 571 CONECT 562 561 563 CONECT 563 562 572 573 574 CONECT 564 556 557 CONECT 565 557 575 576 577 CONECT 566 556 CONECT 567 557 CONECT 568 558 CONECT 569 558 CONECT 570 559 CONECT 571 561 CONECT 572 563 CONECT 573 563 CONECT 574 563 CONECT 575 565 CONECT 576 565 CONECT 577 565 CONECT 578 560 579 584 587 CONECT 579 578 580 588 589 CONECT 580 579 581 585 590 CONECT 581 580 582 586 591 CONECT 582 581 583 584 592 CONECT 583 582 593 594 595 CONECT 584 578 582 CONECT 585 580 596 CONECT 586 581 597 CONECT 587 578 CONECT 588 579 CONECT 589 579 CONECT 590 580 CONECT 591 581 CONECT 592 582 CONECT 593 583 CONECT 594 583 CONECT 595 583 CONECT 596 585 CONECT 597 586 CONECT 598 599 604 605 607 CONECT 599 598 600 608 609 CONECT 600 599 601 610 623 CONECT 601 600 602 606 611 CONECT 602 601 603 604 612 CONECT 603 602 613 614 615 CONECT 604 598 602 CONECT 605 598 783 CONECT 606 601 616 CONECT 607 598 CONECT 608 599 CONECT 609 599 CONECT 610 600 CONECT 611 601 CONECT 612 602 CONECT 613 603 CONECT 614 603 CONECT 615 603 CONECT 616 606 CONECT 617 618 623 624 626 CONECT 618 617 619 627 628 CONECT 619 618 620 629 636 CONECT 620 619 621 625 630 CONECT 621 620 622 624 631 CONECT 622 621 632 633 634 CONECT 623 600 617 CONECT 624 617 621 CONECT 625 620 635 CONECT 626 617 CONECT 627 618 CONECT 628 618 CONECT 629 619 CONECT 630 620 CONECT 631 621 CONECT 632 622 CONECT 633 622 CONECT 634 622 CONECT 635 625 CONECT 636 619 637 CONECT 637 636 639 645 647 CONECT 638 642 645 646 648 CONECT 639 637 640 649 650 CONECT 640 639 641 642 651 CONECT 641 640 659 CONECT 642 638 640 643 652 CONECT 643 642 644 CONECT 644 643 653 654 655 CONECT 645 637 638 CONECT 646 638 656 657 658 CONECT 647 637 CONECT 648 638 CONECT 649 639 CONECT 650 639 CONECT 651 640 CONECT 652 642 CONECT 653 644 CONECT 654 644 CONECT 655 644 CONECT 656 646 CONECT 657 646 CONECT 658 646 CONECT 659 641 660 665 668 CONECT 660 659 661 669 670 CONECT 661 660 662 666 671 CONECT 662 661 663 667 672 CONECT 663 662 664 665 673 CONECT 664 663 674 675 676 CONECT 665 659 663 CONECT 666 661 677 CONECT 667 662 678 CONECT 668 659 CONECT 669 660 CONECT 670 660 CONECT 671 661 CONECT 672 662 CONECT 673 663 CONECT 674 664 CONECT 675 664 CONECT 676 664 CONECT 677 666 CONECT 678 667 CONECT 679 680 685 686 689 CONECT 680 679 681 690 691 CONECT 681 680 682 687 692 CONECT 682 681 683 688 693 CONECT 683 682 684 685 694 CONECT 684 683 695 696 697 CONECT 685 679 683 CONECT 686 679 732 CONECT 687 681 698 CONECT 688 682 699 CONECT 689 679 CONECT 690 680 CONECT 691 680 CONECT 692 681 CONECT 693 682 CONECT 694 683 CONECT 695 684 CONECT 696 684 CONECT 697 684 CONECT 698 687 CONECT 699 688 CONECT 700 701 706 707 710 CONECT 701 700 702 711 712 CONECT 702 701 703 708 713 CONECT 703 702 704 709 714 CONECT 704 703 705 706 715 CONECT 705 704 716 717 718 CONECT 706 700 704 CONECT 707 700 790 CONECT 708 702 719 CONECT 709 703 720 CONECT 710 700 CONECT 711 701 CONECT 712 701 CONECT 713 702 CONECT 714 703 CONECT 715 704 CONECT 716 705 CONECT 717 705 CONECT 718 705 CONECT 719 708 CONECT 720 709 CONECT 721 723 738 781 796 CONECT 722 723 724 725 CONECT 723 721 722 CONECT 724 722 728 737 CONECT 725 524 722 726 753 CONECT 726 725 727 741 754 CONECT 727 726 728 755 756 CONECT 728 724 727 729 CONECT 729 728 730 757 CONECT 730 729 731 736 CONECT 731 730 732 758 CONECT 732 686 731 733 CONECT 733 732 734 740 CONECT 734 733 735 736 CONECT 735 734 759 CONECT 736 730 734 737 CONECT 737 724 736 738 CONECT 738 721 737 CONECT 739 742 760 761 762 CONECT 740 733 750 751 763 CONECT 741 726 742 743 764 CONECT 742 739 741 CONECT 743 741 744 745 CONECT 744 743 CONECT 745 743 746 747 765 CONECT 746 745 766 CONECT 747 745 748 749 767 CONECT 748 747 768 CONECT 749 747 769 770 771 CONECT 750 740 772 773 774 CONECT 751 740 752 775 776 CONECT 752 751 777 778 779 CONECT 753 725 CONECT 754 726 CONECT 755 727 CONECT 756 727 CONECT 757 729 CONECT 758 731 CONECT 759 735 CONECT 760 739 CONECT 761 739 CONECT 762 739 CONECT 763 740 CONECT 764 741 CONECT 765 745 CONECT 766 746 CONECT 767 747 CONECT 768 748 CONECT 769 749 CONECT 770 749 CONECT 771 749 CONECT 772 750 CONECT 773 750 CONECT 774 750 CONECT 775 751 CONECT 776 751 CONECT 777 752 CONECT 778 752 CONECT 779 752 CONECT 780 781 782 783 CONECT 781 721 780 CONECT 782 780 786 795 CONECT 783 605 780 784 811 CONECT 784 783 785 799 812 CONECT 785 784 786 813 814 CONECT 786 782 785 787 CONECT 787 786 788 815 CONECT 788 787 789 794 CONECT 789 788 790 816 CONECT 790 707 789 791 CONECT 791 790 792 798 CONECT 792 791 793 794 CONECT 793 792 817 CONECT 794 788 792 795 CONECT 795 782 794 796 CONECT 796 721 795 CONECT 797 800 818 819 820 CONECT 798 791 808 809 821 CONECT 799 784 800 801 822 CONECT 800 797 799 CONECT 801 799 802 803 CONECT 802 801 CONECT 803 801 804 805 823 CONECT 804 803 824 CONECT 805 803 806 807 825 CONECT 806 805 826 CONECT 807 805 827 828 829 CONECT 808 798 830 831 832 CONECT 809 798 810 833 834 CONECT 810 809 835 836 837 CONECT 811 783 CONECT 812 784 CONECT 813 785 CONECT 814 785 CONECT 815 787 CONECT 816 789 CONECT 817 793 CONECT 818 797 CONECT 819 797 CONECT 820 797 CONECT 821 798 CONECT 822 799 CONECT 823 803 CONECT 824 804 CONECT 825 805 CONECT 826 806 CONECT 827 807 CONECT 828 807 CONECT 829 807 CONECT 830 808 CONECT 831 808 CONECT 832 808 CONECT 833 809 CONECT 834 809 CONECT 835 810 CONECT 836 810 CONECT 837 810 END