USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 481 hydrogens (299 hets) HEADER DNA 13-AUG-98 1BP8 TITLE 4:2:1 MITHRAMYCIN:MG++:D(ACCCGGGT)2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*AP*CP*CP*CP*GP*GP*GP*T)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: FOUR MOLECULES OF MITHRAMYCIN (PLICAMYCIN) COMPND 6 (RESIDUES DDA-DDA-DXB-DDA-DDL-DDB, CHAINS C, D, E, F) COMPND 7 BOUND IN THE MINOR GROOVE. OXYGENS OF THE MITHRAMYCIN COMPND 8 CHROMOPHORE (RESIDUE DXB) ARE COMPLEXED WITH MG++ SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS MITHRAMYCIN, DNA, OLIGONUCLEOTIDE, NMR EXPDTA SOLUTION NMR AUTHOR M.A.KENIRY,E.A.OWEN,R.H.SHAFER REVDAT 4 24-FEB-09 1BP8 1 VERSN REVDAT 3 29-MAR-05 1BP8 1 JRNL SOURCE REMARK REVDAT 2 01-APR-03 1BP8 1 JRNL REVDAT 1 16-AUG-99 1BP8 0 JRNL AUTH M.A.KENIRY,E.A.OWEN,R.H.SHAFER JRNL TITL THE THREE-DIMENSIONAL STRUCTURE OF THE 4:1 JRNL TITL 2 MITHRAMYCIN:D(ACCCGGGT)2 COMPLEX: EVIDENCE FOR AN JRNL TITL 3 INTERACTION BETWEEN THE E SACCHARIDES JRNL REF BIOPOLYMERS V. 54 104 2000 JRNL REFN ISSN 0006-3525 JRNL PMID 10861371 JRNL DOI 10.1002/1097-0282(200008)54:2<104::AID-BIP3>3.0.CO; JRNL DOI 2 2-2 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CHARMM 23.2 REMARK 3 AUTHORS : MSI, WALTHAM , MA REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JOURNAL CITATION ABOVE REMARK 4 REMARK 4 1BP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB007303. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, PCOSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA 600 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, MARDIGRAS, CORMA CHARMM REMARK 210 CHARMM REMARK 210 METHOD USED : FULL RELAXATION MATRIX REMARK 210 ANALYSIS AND RESTRAINED REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 7 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING HOMONUCLEAR TWO REMARK 210 DIMENSIONAL NMR SPECTROSCOPY 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 DA A 1 O5' DA A 1 C5' -0.642 REMARK 500 DC A 2 C4 DC A 2 C5 -0.060 REMARK 500 DC A 3 C5' DC A 3 C4' 0.045 REMARK 500 DC A 3 N1 DC A 3 C6 -0.084 REMARK 500 DC A 3 C4 DC A 3 C5 -0.053 REMARK 500 DC A 4 N1 DC A 4 C6 -0.058 REMARK 500 DG A 5 N1 DG A 5 C2 -0.070 REMARK 500 DG A 5 N7 DG A 5 C8 0.045 REMARK 500 DG A 5 C8 DG A 5 N9 -0.068 REMARK 500 DG A 6 N1 DG A 6 C2 -0.077 REMARK 500 DG A 6 N7 DG A 6 C8 0.044 REMARK 500 DG A 6 C8 DG A 6 N9 -0.044 REMARK 500 DG A 7 N1 DG A 7 C2 -0.085 REMARK 500 DG A 7 N7 DG A 7 C8 0.040 REMARK 500 DG A 7 C8 DG A 7 N9 -0.049 REMARK 500 DT A 8 C3' DT A 8 C2' -0.179 REMARK 500 DT A 8 O3' DT A 8 C3' -0.221 REMARK 500 DT A 8 C2 DT A 8 N3 -0.051 REMARK 500 DT A 8 N3 DT A 8 C4 -0.050 REMARK 500 DT A 8 C6 DT A 8 N1 -0.064 REMARK 500 DC B 2 C4 DC B 2 C5 -0.062 REMARK 500 DC B 3 C2' DC B 3 C1' -0.062 REMARK 500 DC B 3 N1 DC B 3 C6 -0.074 REMARK 500 DC B 3 C4 DC B 3 C5 -0.053 REMARK 500 DC B 4 N1 DC B 4 C6 -0.059 REMARK 500 DG B 5 N1 DG B 5 C2 -0.070 REMARK 500 DG B 5 N7 DG B 5 C8 0.042 REMARK 500 DG B 5 C8 DG B 5 N9 -0.064 REMARK 500 DG B 6 N1 DG B 6 C2 -0.077 REMARK 500 DG B 6 N7 DG B 6 C8 0.043 REMARK 500 DG B 6 C8 DG B 6 N9 -0.046 REMARK 500 DG B 7 N1 DG B 7 C2 -0.089 REMARK 500 DG B 7 N7 DG B 7 C8 0.042 REMARK 500 DT B 8 C2 DT B 8 N3 -0.058 REMARK 500 DT B 8 C6 DT B 8 N1 -0.067 REMARK 500 REMARK 500 REMARK: NULL 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 DA A 1 N1 - C2 - N3 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA A 1 C2 - N3 - C4 ANGL. DEV. = 4.4 DEGREES REMARK 500 DA A 1 C5 - C6 - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 DA A 1 C6 - C5 - N7 ANGL. DEV. = 4.4 DEGREES REMARK 500 DC A 2 C5' - C4' - O4' ANGL. DEV. = 9.4 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 2 N1 - C2 - N3 ANGL. DEV. = -4.7 DEGREES REMARK 500 DC A 2 N1 - C2 - O2 ANGL. DEV. = 8.5 DEGREES REMARK 500 DC A 3 O4' - C4' - C3' ANGL. DEV. = -2.8 DEGREES REMARK 500 DC A 3 C5' - C4' - O4' ANGL. DEV. = 12.1 DEGREES REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES REMARK 500 DC A 3 N1 - C2 - O2 ANGL. DEV. = 4.2 DEGREES REMARK 500 DC A 4 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES REMARK 500 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.4 DEGREES REMARK 500 DG A 5 N3 - C4 - C5 ANGL. DEV. = -3.8 DEGREES REMARK 500 DG A 5 C4 - C5 - N7 ANGL. DEV. = -2.4 DEGREES REMARK 500 DG A 5 C6 - C5 - N7 ANGL. DEV. = 3.9 DEGREES REMARK 500 DG A 5 N1 - C6 - O6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DG A 6 N9 - C1' - C2' ANGL. DEV. = 12.7 DEGREES REMARK 500 DG A 6 N3 - C4 - C5 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG A 6 C4 - C5 - N7 ANGL. DEV. = -2.7 DEGREES REMARK 500 DG A 6 C6 - C5 - N7 ANGL. DEV. = 4.0 DEGREES REMARK 500 DG A 6 N1 - C6 - O6 ANGL. DEV. = -4.0 DEGREES REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DG A 7 N3 - C4 - C5 ANGL. DEV. = -3.8 DEGREES REMARK 500 DG A 7 C4 - C5 - N7 ANGL. DEV. = -2.8 DEGREES REMARK 500 DG A 7 C6 - C5 - N7 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG A 7 N1 - C6 - O6 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 8 C4' - C3' - C2' ANGL. DEV. = 8.3 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 1 N1 - C2 - N3 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA B 1 C2 - N3 - C4 ANGL. DEV. = 4.5 DEGREES REMARK 500 DA B 1 C5 - C6 - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 DA B 1 N9 - C4 - C5 ANGL. DEV. = 2.5 DEGREES REMARK 500 DA B 1 C6 - C5 - N7 ANGL. DEV. = 5.0 DEGREES REMARK 500 DC B 2 C5' - C4' - O4' ANGL. DEV. = 8.6 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC B 2 N1 - C2 - N3 ANGL. DEV. = -4.6 DEGREES REMARK 500 DC B 2 N1 - C2 - O2 ANGL. DEV. = 8.3 DEGREES REMARK 500 DC B 3 C5' - C4' - O4' ANGL. DEV. = 8.0 DEGREES REMARK 500 DC B 3 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC B 4 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC B 4 C6 - N1 - C2 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC B 4 N1 - C2 - O2 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG B 5 N3 - C4 - C5 ANGL. DEV. = -4.2 DEGREES REMARK 500 DG B 5 N3 - C4 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG B 5 N1 - C6 - O6 ANGL. DEV. = -3.9 DEGREES REMARK 500 DG B 6 N9 - C1' - C2' ANGL. DEV. = 12.1 DEGREES REMARK 500 DG B 6 N3 - C4 - C5 ANGL. DEV. = -4.2 DEGREES REMARK 500 DG B 6 C4 - C5 - N7 ANGL. DEV. = -2.5 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 57 ANGLE DEVIATIONS. 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 DC A 3 0.07 SIDE_CHAIN REMARK 500 DG A 6 0.07 SIDE_CHAIN REMARK 500 DC B 3 0.08 SIDE_CHAIN REMARK 500 DG B 6 0.07 SIDE_CHAIN 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 A 9 REMARK 610 DDA A 11 REMARK 610 DDL A 12 REMARK 610 DDA B 9 REMARK 610 DDA B 11 REMARK 610 DDL B 12 REMARK 610 DDA A 13 REMARK 610 DDA A 15 REMARK 610 DDL A 16 REMARK 610 DDA B 13 REMARK 610 DDA B 15 REMARK 610 DDL B 16 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 A 17 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DXB A 21 O9 REMARK 620 2 DXB A 21 O1 83.4 REMARK 620 3 DXB B 19 O9 174.1 97.6 REMARK 620 4 DXB B 19 O1 111.0 84.9 74.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 18 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DXB B 20 O1 REMARK 620 2 DXB A 22 O9 95.7 REMARK 620 3 DXB A 22 O1 89.0 74.4 REMARK 620 4 DXB B 20 O9 86.2 177.6 104.2 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 A 9 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 10 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 11 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL A 12 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 9 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 10 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 11 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL B 12 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 13 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 14 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA A 15 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL A 16 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 13 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 14 REMARK 800 SITE_IDENTIFIER: BC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 15 REMARK 800 SITE_IDENTIFIER: BC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDL B 16 REMARK 800 SITE_IDENTIFIER: BC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 17 REMARK 800 SITE_IDENTIFIER: BC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 18 REMARK 800 SITE_IDENTIFIER: CC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MDA A 19 REMARK 800 SITE_IDENTIFIER: CC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MDA A 20 REMARK 800 SITE_IDENTIFIER: CC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MDA B 17 REMARK 800 SITE_IDENTIFIER: CC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MDA B 18 REMARK 800 SITE_IDENTIFIER: CC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXB A 21 REMARK 800 SITE_IDENTIFIER: CC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXB B 19 REMARK 800 SITE_IDENTIFIER: CC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXB A 22 REMARK 800 SITE_IDENTIFIER: CC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DXB B 20 DBREF 1BP8 A 1 8 PDB 1BP8 1BP8 1 8 DBREF 1BP8 B 1 8 PDB 1BP8 1BP8 1 8 SEQRES 1 A 8 DA DC DC DC DG DG DG DT SEQRES 1 B 8 DA DC DC DC DG DG DG DT HET DDA A 9 20 HET DDA A 10 20 HET DDA A 11 19 HET DDL A 12 19 HET DDA B 9 20 HET DDA B 10 20 HET DDA B 11 19 HET DDL B 12 19 HET DDA A 13 20 HET DDA A 14 20 HET DDA A 15 19 HET DDL A 16 19 HET DDA B 13 19 HET DDA B 14 20 HET DDA B 15 19 HET DDL B 16 19 HET MG A 17 1 HET MG A 18 1 HET MDA A 19 24 HET MDA A 20 24 HET MDA B 17 24 HET MDA B 18 24 HET DXB A 21 49 HET DXB B 19 49 HET DXB A 22 49 HET DXB B 20 49 HETNAM DDA 2,6-DIDEOXY-BETA-D-GLUCOSE HETNAM DDL 2,6-DIDEOXY-BETA-D-GALACTOSE HETNAM MG MAGNESIUM ION HETNAM MDA 2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE HETNAM DXB 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4- HETNAM 2 DXB DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE HETSYN DDA 2,6-DIDEOXY-BETA-D-MANNOSE HETSYN DDL 2,6-DIDEOXY-BETA-D-TALOSE FORMUL 3 DDA 12(C6 H12 O4) FORMUL 4 DDL 4(C6 H12 O4) FORMUL 11 MG 2(MG 2+) FORMUL 13 MDA 4(C7 H14 O4) FORMUL 17 DXB 4(C21 H24 O7) LINK C1 DDA A 9 O3 DDA A 10 1555 1555 1.39 LINK C3 DDA A 11 O1 DDL A 12 1555 1555 1.41 LINK C3 DDL A 12 O1 MDA A 19 1555 1555 1.42 LINK C1 DDA B 9 O3 DDA B 10 1555 1555 1.40 LINK C3 DDA B 11 O1 DDL B 12 1555 1555 1.43 LINK C3 DDL B 12 O1 MDA A 20 1555 1555 1.43 LINK C1 DDA A 13 O3 DDA A 14 1555 1555 1.35 LINK C3 DDA A 15 O1 DDL A 16 1555 1555 1.43 LINK C3 DDL A 16 O1 MDA B 17 1555 1555 1.43 LINK C1 DDA B 13 O3 DDA B 14 1555 1555 1.40 LINK C3 DDA B 15 O1 DDL B 16 1555 1555 1.41 LINK C3 DDL B 16 O1 MDA B 18 1555 1555 1.41 LINK O1 DDA A 10 C6 DXB A 21 1555 1555 1.34 LINK O1 DDA B 10 C6 DXB B 19 1555 1555 1.36 LINK O1 DDA A 14 C6 DXB A 22 1555 1555 1.36 LINK O1 DDA B 14 C6 DXB B 20 1555 1555 1.35 LINK O1 DDA A 11 C2 DXB A 21 1555 1555 1.42 LINK O1 DDA B 11 C2 DXB B 19 1555 1555 1.43 LINK O1 DDA A 15 C2 DXB A 22 1555 1555 1.43 LINK O1 DDA B 15 C2 DXB B 20 1555 1555 1.41 LINK MG MG A 17 O9 DXB A 21 1555 1555 1.65 LINK MG MG A 17 O1 DXB A 21 1555 1555 2.13 LINK MG MG A 17 O9 DXB B 19 1555 1555 2.26 LINK MG MG A 17 O1 DXB B 19 1555 1555 2.07 LINK MG MG A 18 O1 DXB B 20 1555 1555 2.11 LINK MG MG A 18 O9 DXB A 22 1555 1555 2.31 LINK MG MG A 18 O1 DXB A 22 1555 1555 2.03 LINK MG MG A 18 O9 DXB B 20 1555 1555 1.66 SITE *** AC1 3 DC A 2 DC A 3 DDA A 10 SITE *** AC2 5 DC A 2 DDA A 9 MDA A 20 DXB A 21 SITE *** AC2 5 DDL B 12 SITE *** AC3 3 DC A 4 DDL A 12 DXB A 21 SITE *** AC4 3 DDA A 11 MDA A 19 DXB B 19 SITE *** AC5 2 DDA B 10 MDA B 18 SITE *** AC6 5 MDA A 19 DG B 6 DG B 7 DDA B 9 SITE *** AC6 5 DXB B 19 SITE *** AC7 3 DT B 8 DDL B 12 DXB B 19 SITE *** AC8 4 DDA A 10 MDA A 20 DXB A 21 DDA B 11 SITE *** AC9 1 DDA A 14 SITE *** BC1 5 DG A 6 DG A 7 DDA A 13 DXB A 22 SITE *** BC1 5 MDA B 18 SITE *** BC2 3 DT A 8 DDL A 16 DXB A 22 SITE *** BC3 4 DDA A 15 DDA B 14 MDA B 17 DXB B 20 SITE *** BC4 2 DC B 2 DDA B 14 SITE *** BC5 5 DDL A 16 DC B 2 DDA B 13 MDA B 17 SITE *** BC5 5 DXB B 20 SITE *** BC6 3 DC B 4 DDL B 16 DXB B 20 SITE *** BC7 3 DXB A 22 DDA B 15 MDA B 18 SITE *** BC8 3 DC A 3 DXB A 21 DXB B 19 SITE *** BC9 2 DXB A 22 DXB B 20 SITE *** CC1 5 DG A 6 DDL A 12 DDA B 10 MDA B 18 SITE *** CC1 5 DXB B 19 SITE *** CC2 5 DA A 1 DDA A 10 DXB A 21 DT B 8 SITE *** CC2 5 DDL B 12 SITE *** CC3 5 DT A 8 DDL A 16 DA B 1 DDA B 14 SITE *** CC3 5 DXB B 20 SITE *** CC4 6 DDA A 14 MDA A 19 DXB A 22 DG B 6 SITE *** CC4 6 DDA B 9 DDL B 16 SITE *** CC5 12 DA A 1 DC A 2 DC A 3 DC A 4 SITE *** CC5 12 DDA A 10 DDA A 11 MG A 17 MDA A 20 SITE *** CC5 12 DG B 7 DT B 8 DDL B 12 DXB B 19 SITE *** CC6 10 DDL A 12 MG A 17 MDA A 19 DXB A 21 SITE *** CC6 10 DG B 5 DG B 6 DG B 7 DT B 8 SITE *** CC6 10 DDA B 10 DDA B 11 SITE *** CC7 11 DG A 5 DG A 6 DG A 7 DT A 8 SITE *** CC7 11 DDA A 14 DDA A 15 MG A 18 DC B 4 SITE *** CC7 11 DDL B 16 MDA B 18 DXB B 20 SITE *** CC8 12 DG A 7 DT A 8 DDL A 16 MG A 18 SITE *** CC8 12 DXB A 22 DA B 1 DC B 2 DC B 3 SITE *** CC8 12 DC B 4 DDA B 14 DDA B 15 MDA B 17 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: A 21 DXB H6 : A 21 DXB C6 : A 10 DDA O1 :(H bumps) USER MOD NoAdj-H: A 21 DXB H21 : A 21 DXB C2 : A 11 DDA O1 :(H bumps) USER MOD NoAdj-H: B 19 DXB H6 : B 19 DXB C6 : B 10 DDA O1 :(H bumps) USER MOD NoAdj-H: B 19 DXB H21 : B 19 DXB C2 : B 11 DDA O1 :(H bumps) USER MOD NoAdj-H: A 22 DXB H6 : A 22 DXB C6 : A 14 DDA O1 :(H bumps) USER MOD NoAdj-H: A 22 DXB H21 : A 22 DXB C2 : A 15 DDA O1 :(H bumps) USER MOD NoAdj-H: B 20 DXB H6 : B 20 DXB C6 : B 14 DDA O1 :(H bumps) USER MOD NoAdj-H: B 20 DXB H21 : B 20 DXB C2 : B 15 DDA O1 :(H bumps) USER MOD NoAdj-H: B 20 DXB H10 : B 20 DXB C10 : B 20 DXB C9 :(H bumps) USER MOD Set 1.1: A 19 MDA O3 : rot -152:sc= -0.859 USER MOD Set 1.2: A 19 MDA O4 : rot 141:sc= 2.1 USER MOD Set 1.3: B 18 MDA O3 : rot -174:sc= 1.17 USER MOD Set 1.4: B 18 MDA O4 : rot -23:sc= 0.878 USER MOD Single : A 1 DA O5' : rot -163:sc= -33.1! USER MOD Single : A 8 DT C7 :methyl 150:sc= -6.21! (180deg=-6.21!) USER MOD Single : A 8 DT O3' : rot 40:sc= 0 USER MOD Single : A 9 DDA O3 : rot 180:sc= 0 USER MOD Single : A 9 DDA O4 : rot 160:sc= 0 USER MOD Single : A 10 DDA O4 : rot 24:sc= 0.121 USER MOD Single : A 11 DDA O4 : rot 21:sc= 0.855 USER MOD Single : A 12 DDL O4 : rot -17:sc= 0.186 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 DDA O4 : rot 37:sc= 0.0571 USER MOD Single : A 15 DDA O4 : rot 17:sc= 0.899 USER MOD Single : A 16 DDL O4 : rot -20:sc= 0.16 USER MOD Single : A 20 MDA O3 : rot 169:sc= -1.7! USER MOD Single : A 20 MDA O4 : rot -54:sc= 1.02 USER MOD Single : A 21 DXB O3S : rot -7:sc= 0.00264 USER MOD Single : A 21 DXB O4S : rot 19:sc= 0.166 USER MOD Single : A 21 DXB O8 : rot 169:sc= 0.469 USER MOD Single : A 22 DXB O3S : rot -100:sc= 0.317 USER MOD Single : A 22 DXB O8 : rot -163:sc= 1.94 USER MOD Single : A 22 DXB O9 : rot -12:sc= 1.7 USER MOD Single : B 1 DA O5' : rot 39:sc= 0.105 USER MOD Single : B 8 DT C7 :methyl 150:sc= -5.8! (180deg=-5.8!) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DDA O3 : rot 150:sc= 0.00798 USER MOD Single : B 9 DDA O4 : rot 170:sc= 0.00765 USER MOD Single : B 10 DDA O4 : rot 28:sc= 0.0995 USER MOD Single : B 11 DDA O4 : rot 16:sc= 1.11 USER MOD Single : B 12 DDL O4 : rot -21:sc= 0.0856 USER MOD Single : B 13 DDA O3 : rot 180:sc= 0 USER MOD Single : B 13 DDA O4 : rot 170:sc= 0 USER MOD Single : B 14 DDA O4 : rot -14:sc= 1.06 USER MOD Single : B 15 DDA O4 : rot 15:sc= 0.456 USER MOD Single : B 16 DDL O4 : rot -66:sc= 0.803 USER MOD Single : B 17 MDA O3 : rot -169:sc= -1.76! USER MOD Single : B 17 MDA O4 : rot -55:sc= 1.11 USER MOD Single : B 19 DXB O3S : rot 4:sc= 0.579 USER MOD Single : B 19 DXB O4S : rot 23:sc= 0.61 USER MOD Single : B 19 DXB O8 : rot -170:sc= 2.05 USER MOD Single : B 20 DXB O3S : rot -18:sc= 0.728 USER MOD Single : B 20 DXB O4S : rot 22:sc= 0.468 USER MOD Single : B 20 DXB O8 : rot -163:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.605 0.160 -1.035 1.00 0.00 O ATOM 2 C5' DA A 1 -3.981 -0.413 -1.398 1.00 0.00 C ATOM 3 C4' DA A 1 -4.707 -1.459 -0.554 1.00 0.00 C ATOM 4 O4' DA A 1 -3.858 -2.456 -0.027 1.00 0.00 O ATOM 5 C3' DA A 1 -5.468 -0.884 0.637 1.00 0.00 C ATOM 6 O3' DA A 1 -6.772 -0.488 0.211 1.00 0.00 O ATOM 7 C2' DA A 1 -5.544 -2.078 1.545 1.00 0.00 C ATOM 8 C1' DA A 1 -4.311 -2.877 1.244 1.00 0.00 C ATOM 9 N9 DA A 1 -3.300 -2.507 2.227 1.00 0.00 N ATOM 10 C8 DA A 1 -2.314 -1.605 2.166 1.00 0.00 C ATOM 11 N7 DA A 1 -1.599 -1.514 3.298 1.00 0.00 N ATOM 12 C5 DA A 1 -2.205 -2.424 4.157 1.00 0.00 C ATOM 13 C6 DA A 1 -2.059 -2.810 5.445 1.00 0.00 C ATOM 14 N6 DA A 1 -1.108 -2.265 6.188 1.00 0.00 N ATOM 15 N1 DA A 1 -2.880 -3.693 6.031 1.00 0.00 N ATOM 16 C2 DA A 1 -3.885 -4.183 5.277 1.00 0.00 C ATOM 17 N3 DA A 1 -4.102 -3.899 4.014 1.00 0.00 N ATOM 18 C4 DA A 1 -3.259 -3.026 3.484 1.00 0.00 C ATOM 0 H5' DA A 1 -3.260 -0.936 -2.026 1.00 0.00 H new ATOM 0 H5'' DA A 1 -4.714 0.042 -2.065 1.00 0.00 H new ATOM 0 H4' DA A 1 -5.402 -1.886 -1.277 1.00 0.00 H new ATOM 0 H3' DA A 1 -5.013 -0.009 1.101 1.00 0.00 H new ATOM 0 H2' DA A 1 -5.572 -1.776 2.592 1.00 0.00 H new ATOM 0 H2'' DA A 1 -6.446 -2.660 1.357 1.00 0.00 H new ATOM 0 HO5' DA A 1 -3.424 0.885 -1.669 1.00 0.00 H new ATOM 0 H1' DA A 1 -4.501 -3.950 1.268 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.113 -1.007 1.289 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.993 -2.552 7.160 1.00 0.00 H new ATOM 0 H62 DA A 1 -0.491 -1.558 5.788 1.00 0.00 H new ATOM 0 H2 DA A 1 -4.570 -4.868 5.753 1.00 0.00 H new ATOM 31 P DC A 2 -7.656 0.393 1.144 1.00 0.00 P ATOM 32 OP1 DC A 2 -9.085 0.493 0.552 1.00 0.00 O ATOM 33 OP2 DC A 2 -6.999 1.785 1.307 1.00 0.00 O ATOM 34 O5' DC A 2 -7.688 -0.323 2.528 1.00 0.00 O ATOM 35 C5' DC A 2 -8.809 -1.093 2.946 1.00 0.00 C ATOM 36 C4' DC A 2 -8.594 -1.549 4.380 1.00 0.00 C ATOM 37 O4' DC A 2 -7.333 -2.120 4.750 1.00 0.00 O ATOM 38 C3' DC A 2 -8.718 -0.404 5.326 1.00 0.00 C ATOM 39 O3' DC A 2 -10.082 0.000 5.442 1.00 0.00 O ATOM 40 C2' DC A 2 -8.208 -1.029 6.565 1.00 0.00 C ATOM 41 C1' DC A 2 -7.022 -1.787 6.112 1.00 0.00 C ATOM 42 N1 DC A 2 -5.735 -1.072 6.210 1.00 0.00 N ATOM 43 C2 DC A 2 -4.923 -1.149 7.361 1.00 0.00 C ATOM 44 O2 DC A 2 -5.211 -1.669 8.459 1.00 0.00 O ATOM 45 N3 DC A 2 -3.708 -0.516 7.244 1.00 0.00 N ATOM 46 C4 DC A 2 -3.347 0.123 6.163 1.00 0.00 C ATOM 47 N4 DC A 2 -2.152 0.671 6.143 1.00 0.00 N ATOM 48 C5 DC A 2 -4.147 0.211 5.060 1.00 0.00 C ATOM 49 C6 DC A 2 -5.357 -0.411 5.118 1.00 0.00 C ATOM 0 H5' DC A 2 -8.937 -1.956 2.292 1.00 0.00 H new ATOM 0 H5'' DC A 2 -9.721 -0.500 2.873 1.00 0.00 H new ATOM 0 H4' DC A 2 -9.355 -2.327 4.439 1.00 0.00 H new ATOM 0 H3' DC A 2 -8.189 0.506 5.041 1.00 0.00 H new ATOM 0 H2' DC A 2 -7.944 -0.280 7.312 1.00 0.00 H new ATOM 0 H2'' DC A 2 -8.952 -1.683 7.019 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.857 -2.648 6.760 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.837 1.178 5.316 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.540 0.590 6.955 1.00 0.00 H new ATOM 0 H5 DC A 2 -3.833 0.751 4.179 1.00 0.00 H new ATOM 0 H6 DC A 2 -6.019 -0.367 4.266 1.00 0.00 H new ATOM 61 P DC A 3 -10.472 1.217 6.342 1.00 0.00 P ATOM 62 OP1 DC A 3 -12.006 1.411 6.316 1.00 0.00 O ATOM 63 OP2 DC A 3 -9.728 2.473 5.837 1.00 0.00 O ATOM 64 O5' DC A 3 -9.990 0.902 7.791 1.00 0.00 O ATOM 65 C5' DC A 3 -10.663 -0.025 8.640 1.00 0.00 C ATOM 66 C4' DC A 3 -9.698 -0.564 9.737 1.00 0.00 C ATOM 67 O4' DC A 3 -8.350 -0.961 9.435 1.00 0.00 O ATOM 68 C3' DC A 3 -9.476 0.495 10.808 1.00 0.00 C ATOM 69 O3' DC A 3 -10.617 0.538 11.674 1.00 0.00 O ATOM 70 C2' DC A 3 -8.268 -0.007 11.503 1.00 0.00 C ATOM 71 C1' DC A 3 -7.413 -0.459 10.410 1.00 0.00 C ATOM 72 N1 DC A 3 -6.510 0.555 9.827 1.00 0.00 N ATOM 73 C2 DC A 3 -5.214 0.707 10.237 1.00 0.00 C ATOM 74 O2 DC A 3 -4.779 0.206 11.248 1.00 0.00 O ATOM 75 N3 DC A 3 -4.418 1.518 9.483 1.00 0.00 N ATOM 76 C4 DC A 3 -4.865 2.117 8.421 1.00 0.00 C ATOM 77 N4 DC A 3 -3.994 2.832 7.752 1.00 0.00 N ATOM 78 C5 DC A 3 -6.169 1.980 8.016 1.00 0.00 C ATOM 79 C6 DC A 3 -6.951 1.180 8.797 1.00 0.00 C ATOM 0 H5' DC A 3 -11.049 -0.855 8.048 1.00 0.00 H new ATOM 0 H5'' DC A 3 -11.521 0.459 9.108 1.00 0.00 H new ATOM 0 H4' DC A 3 -10.248 -1.471 9.987 1.00 0.00 H new ATOM 0 H3' DC A 3 -9.348 1.511 10.434 1.00 0.00 H new ATOM 0 H2' DC A 3 -7.788 0.775 12.091 1.00 0.00 H new ATOM 0 H2'' DC A 3 -8.507 -0.820 12.189 1.00 0.00 H new ATOM 0 H1' DC A 3 -6.701 -1.198 10.777 1.00 0.00 H new ATOM 0 H41 DC A 3 -4.282 3.328 6.908 1.00 0.00 H new ATOM 0 H42 DC A 3 -3.028 2.893 8.075 1.00 0.00 H new ATOM 0 H5 DC A 3 -6.552 2.474 7.135 1.00 0.00 H new ATOM 0 H6 DC A 3 -7.993 1.067 8.535 1.00 0.00 H new ATOM 91 P DC A 4 -10.641 1.481 12.916 1.00 0.00 P ATOM 92 OP1 DC A 4 -11.860 1.136 13.815 1.00 0.00 O ATOM 93 OP2 DC A 4 -10.695 2.946 12.418 1.00 0.00 O ATOM 94 O5' DC A 4 -9.294 1.264 13.670 1.00 0.00 O ATOM 95 C5' DC A 4 -9.173 0.959 15.048 1.00 0.00 C ATOM 96 C4' DC A 4 -8.014 1.775 15.570 1.00 0.00 C ATOM 97 O4' DC A 4 -6.844 1.649 14.782 1.00 0.00 O ATOM 98 C3' DC A 4 -8.342 3.240 15.519 1.00 0.00 C ATOM 99 O3' DC A 4 -9.060 3.568 16.715 1.00 0.00 O ATOM 100 C2' DC A 4 -7.037 3.912 15.330 1.00 0.00 C ATOM 101 C1' DC A 4 -6.114 2.866 14.807 1.00 0.00 C ATOM 102 N1 DC A 4 -5.696 3.262 13.468 1.00 0.00 N ATOM 103 C2 DC A 4 -4.525 3.962 13.286 1.00 0.00 C ATOM 104 O2 DC A 4 -3.718 4.162 14.178 1.00 0.00 O ATOM 105 N3 DC A 4 -4.291 4.445 12.035 1.00 0.00 N ATOM 106 C4 DC A 4 -5.140 4.254 11.071 1.00 0.00 C ATOM 107 N4 DC A 4 -4.818 4.799 9.926 1.00 0.00 N ATOM 108 C5 DC A 4 -6.310 3.538 11.241 1.00 0.00 C ATOM 109 C6 DC A 4 -6.543 3.044 12.494 1.00 0.00 C ATOM 0 H5' DC A 4 -8.994 -0.106 15.195 1.00 0.00 H new ATOM 0 H5'' DC A 4 -10.091 1.205 15.581 1.00 0.00 H new ATOM 0 H4' DC A 4 -7.842 1.402 16.580 1.00 0.00 H new ATOM 0 H3' DC A 4 -8.997 3.560 14.709 1.00 0.00 H new ATOM 0 H2' DC A 4 -7.123 4.743 14.630 1.00 0.00 H new ATOM 0 H2'' DC A 4 -6.669 4.324 16.270 1.00 0.00 H new ATOM 0 H1' DC A 4 -5.223 2.744 15.423 1.00 0.00 H new ATOM 0 H41 DC A 4 -5.434 4.694 9.120 1.00 0.00 H new ATOM 0 H42 DC A 4 -3.951 5.329 9.840 1.00 0.00 H new ATOM 0 H5 DC A 4 -7.003 3.378 10.428 1.00 0.00 H new ATOM 0 H6 DC A 4 -7.436 2.467 12.683 1.00 0.00 H new ATOM 121 P DG A 5 -9.190 5.017 17.270 1.00 0.00 P ATOM 122 OP1 DG A 5 -10.110 4.998 18.517 1.00 0.00 O ATOM 123 OP2 DG A 5 -9.748 5.929 16.155 1.00 0.00 O ATOM 124 O5' DG A 5 -7.773 5.515 17.667 1.00 0.00 O ATOM 125 C5' DG A 5 -7.150 5.259 18.928 1.00 0.00 C ATOM 126 C4' DG A 5 -5.783 5.965 18.893 1.00 0.00 C ATOM 127 O4' DG A 5 -5.141 5.765 17.650 1.00 0.00 O ATOM 128 C3' DG A 5 -5.945 7.459 19.051 1.00 0.00 C ATOM 129 O3' DG A 5 -5.277 7.885 20.242 1.00 0.00 O ATOM 130 C2' DG A 5 -5.402 8.063 17.802 1.00 0.00 C ATOM 131 C1' DG A 5 -4.580 6.973 17.183 1.00 0.00 C ATOM 132 N9 DG A 5 -4.774 7.047 15.749 1.00 0.00 N ATOM 133 C8 DG A 5 -5.941 6.874 15.189 1.00 0.00 C ATOM 134 N7 DG A 5 -5.960 7.016 13.847 1.00 0.00 N ATOM 135 C5 DG A 5 -4.631 7.328 13.537 1.00 0.00 C ATOM 136 C6 DG A 5 -3.928 7.638 12.317 1.00 0.00 C ATOM 137 O6 DG A 5 -4.320 7.700 11.161 1.00 0.00 O ATOM 138 N1 DG A 5 -2.598 7.912 12.519 1.00 0.00 N ATOM 139 C2 DG A 5 -2.002 7.893 13.677 1.00 0.00 C ATOM 140 N2 DG A 5 -0.721 8.139 13.688 1.00 0.00 N ATOM 141 N3 DG A 5 -2.575 7.617 14.822 1.00 0.00 N ATOM 142 C4 DG A 5 -3.883 7.341 14.739 1.00 0.00 C ATOM 0 H5' DG A 5 -7.029 4.188 19.090 1.00 0.00 H new ATOM 0 H5'' DG A 5 -7.761 5.638 19.747 1.00 0.00 H new ATOM 0 H4' DG A 5 -5.196 5.544 19.709 1.00 0.00 H new ATOM 0 H3' DG A 5 -6.981 7.774 19.173 1.00 0.00 H new ATOM 0 H2' DG A 5 -6.203 8.383 17.135 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.796 8.943 18.018 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.520 7.049 17.424 1.00 0.00 H new ATOM 0 H8 DG A 5 -6.827 6.635 15.759 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.035 8.148 11.702 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.209 8.136 14.570 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.232 8.335 12.815 1.00 0.00 H new ATOM 154 P DG A 6 -5.179 9.394 20.661 1.00 0.00 P ATOM 155 OP1 DG A 6 -4.772 9.471 22.151 1.00 0.00 O ATOM 156 OP2 DG A 6 -6.523 10.101 20.394 1.00 0.00 O ATOM 157 O5' DG A 6 -4.058 10.063 19.812 1.00 0.00 O ATOM 158 C5' DG A 6 -2.696 9.857 20.161 1.00 0.00 C ATOM 159 C4' DG A 6 -1.787 10.310 19.023 1.00 0.00 C ATOM 160 O4' DG A 6 -2.272 9.870 17.774 1.00 0.00 O ATOM 161 C3' DG A 6 -1.721 11.808 18.867 1.00 0.00 C ATOM 162 O3' DG A 6 -0.791 12.356 19.802 1.00 0.00 O ATOM 163 C2' DG A 6 -1.238 11.960 17.460 1.00 0.00 C ATOM 164 C1' DG A 6 -1.941 10.812 16.768 1.00 0.00 C ATOM 165 N9 DG A 6 -3.058 10.903 15.819 1.00 0.00 N ATOM 166 C8 DG A 6 -4.341 10.630 16.039 1.00 0.00 C ATOM 167 N7 DG A 6 -5.105 10.533 14.931 1.00 0.00 N ATOM 168 C5 DG A 6 -4.221 10.794 13.890 1.00 0.00 C ATOM 169 C6 DG A 6 -4.349 10.892 12.460 1.00 0.00 C ATOM 170 O6 DG A 6 -5.308 10.720 11.723 1.00 0.00 O ATOM 171 N1 DG A 6 -3.177 11.236 11.845 1.00 0.00 N ATOM 172 C2 DG A 6 -2.050 11.444 12.451 1.00 0.00 C ATOM 173 N2 DG A 6 -1.054 11.823 11.708 1.00 0.00 N ATOM 174 N3 DG A 6 -1.858 11.353 13.740 1.00 0.00 N ATOM 175 C4 DG A 6 -2.945 11.035 14.447 1.00 0.00 C ATOM 0 H5' DG A 6 -2.524 8.802 20.376 1.00 0.00 H new ATOM 0 H5'' DG A 6 -2.458 10.411 21.069 1.00 0.00 H new ATOM 0 H4' DG A 6 -0.815 9.893 19.287 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.664 12.323 19.052 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.514 12.925 17.035 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.153 11.878 17.389 1.00 0.00 H new ATOM 0 H1' DG A 6 -1.180 10.588 16.020 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.742 10.496 17.033 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.191 11.337 10.830 1.00 0.00 H new ATOM 0 H21 DG A 6 -0.142 12.002 12.129 1.00 0.00 H new ATOM 0 H22 DG A 6 -1.184 11.942 10.703 1.00 0.00 H new ATOM 187 P DG A 7 -0.847 13.870 20.149 1.00 0.00 P ATOM 188 OP1 DG A 7 0.420 14.236 20.962 1.00 0.00 O ATOM 189 OP2 DG A 7 -2.145 14.163 20.940 1.00 0.00 O ATOM 190 O5' DG A 7 -0.865 14.639 18.801 1.00 0.00 O ATOM 191 C5' DG A 7 0.242 15.402 18.329 1.00 0.00 C ATOM 192 C4' DG A 7 -0.209 16.108 17.060 1.00 0.00 C ATOM 193 O4' DG A 7 -0.673 15.217 16.060 1.00 0.00 O ATOM 194 C3' DG A 7 -1.365 17.041 17.340 1.00 0.00 C ATOM 195 O3' DG A 7 -0.859 18.316 17.745 1.00 0.00 O ATOM 196 C2' DG A 7 -2.091 17.073 16.055 1.00 0.00 C ATOM 197 C1' DG A 7 -1.663 15.862 15.282 1.00 0.00 C ATOM 198 N9 DG A 7 -2.752 14.951 14.968 1.00 0.00 N ATOM 199 C8 DG A 7 -3.373 14.094 15.766 1.00 0.00 C ATOM 200 N7 DG A 7 -4.451 13.510 15.212 1.00 0.00 N ATOM 201 C5 DG A 7 -4.505 14.029 13.923 1.00 0.00 C ATOM 202 C6 DG A 7 -5.364 13.831 12.788 1.00 0.00 C ATOM 203 O6 DG A 7 -6.353 13.134 12.643 1.00 0.00 O ATOM 204 N1 DG A 7 -4.980 14.561 11.700 1.00 0.00 N ATOM 205 C2 DG A 7 -3.974 15.364 11.665 1.00 0.00 C ATOM 206 N2 DG A 7 -3.784 15.952 10.532 1.00 0.00 N ATOM 207 N3 DG A 7 -3.159 15.607 12.654 1.00 0.00 N ATOM 208 C4 DG A 7 -3.433 14.928 13.771 1.00 0.00 C ATOM 0 H5' DG A 7 1.097 14.756 18.127 1.00 0.00 H new ATOM 0 H5'' DG A 7 0.559 16.125 19.080 1.00 0.00 H new ATOM 0 H4' DG A 7 0.677 16.638 16.710 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.023 16.730 18.151 1.00 0.00 H new ATOM 0 H2' DG A 7 -3.168 17.065 16.220 1.00 0.00 H new ATOM 0 H2'' DG A 7 -1.860 17.984 15.504 1.00 0.00 H new ATOM 0 H1' DG A 7 -1.280 16.176 14.311 1.00 0.00 H new ATOM 0 H8 DG A 7 -3.043 13.883 16.772 1.00 0.00 H new ATOM 0 H1 DG A 7 -5.533 14.463 10.849 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.008 16.604 10.420 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.410 15.764 9.749 1.00 0.00 H new ATOM 220 P DT A 8 -1.803 19.544 17.953 1.00 0.00 P ATOM 221 OP1 DT A 8 -1.068 20.607 18.801 1.00 0.00 O ATOM 222 OP2 DT A 8 -3.118 19.081 18.622 1.00 0.00 O ATOM 223 O5' DT A 8 -2.133 20.133 16.549 1.00 0.00 O ATOM 224 C5' DT A 8 -1.212 20.993 15.881 1.00 0.00 C ATOM 225 C4' DT A 8 -1.675 21.185 14.442 1.00 0.00 C ATOM 226 O4' DT A 8 -2.129 19.983 13.902 1.00 0.00 O ATOM 227 C3' DT A 8 -2.829 22.101 14.287 1.00 0.00 C ATOM 228 O3' DT A 8 -2.603 23.154 13.762 1.00 0.00 O ATOM 229 C2' DT A 8 -3.798 21.544 13.553 1.00 0.00 C ATOM 230 C1' DT A 8 -3.234 20.255 13.084 1.00 0.00 C ATOM 231 N1 DT A 8 -4.247 19.202 13.155 1.00 0.00 N ATOM 232 C2 DT A 8 -5.148 19.032 12.115 1.00 0.00 C ATOM 233 O2 DT A 8 -5.094 19.711 11.109 1.00 0.00 O ATOM 234 N3 DT A 8 -6.112 18.142 12.278 1.00 0.00 N ATOM 235 C4 DT A 8 -6.291 17.419 13.382 1.00 0.00 C ATOM 236 O4 DT A 8 -7.224 16.647 13.441 1.00 0.00 O ATOM 237 C5 DT A 8 -5.329 17.614 14.479 1.00 0.00 C ATOM 238 C7 DT A 8 -5.471 16.875 15.786 1.00 0.00 C ATOM 239 C6 DT A 8 -4.313 18.522 14.277 1.00 0.00 C ATOM 0 H5' DT A 8 -0.211 20.562 15.901 1.00 0.00 H new ATOM 0 H5'' DT A 8 -1.156 21.955 16.391 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.795 21.592 13.945 1.00 0.00 H new ATOM 0 H3' DT A 8 -3.114 22.284 15.323 1.00 0.00 H new ATOM 0 H2' DT A 8 -4.700 21.388 14.144 1.00 0.00 H new ATOM 0 H2'' DT A 8 -4.074 22.183 12.714 1.00 0.00 H new ATOM 0 HO3' DT A 8 -1.980 23.021 13.018 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.921 20.304 12.041 1.00 0.00 H new ATOM 0 H3 DT A 8 -6.763 17.999 11.506 1.00 0.00 H new ATOM 0 H71 DT A 8 -4.485 16.717 16.224 1.00 0.00 H new ATOM 0 H72 DT A 8 -6.082 17.462 16.471 1.00 0.00 H new ATOM 0 H73 DT A 8 -5.948 15.911 15.609 1.00 0.00 H new ATOM 0 H6 DT A 8 -3.568 18.675 15.044 1.00 0.00 H new TER 253 DT A 8 ATOM 254 O5' DA B 1 -13.779 13.718 6.564 1.00 0.00 O ATOM 255 C5' DA B 1 -13.696 14.018 5.330 1.00 0.00 C ATOM 256 C4' DA B 1 -12.613 15.065 5.023 1.00 0.00 C ATOM 257 O4' DA B 1 -12.463 16.002 6.076 1.00 0.00 O ATOM 258 C3' DA B 1 -11.224 14.482 4.782 1.00 0.00 C ATOM 259 O3' DA B 1 -11.077 14.153 3.400 1.00 0.00 O ATOM 260 C2' DA B 1 -10.340 15.638 5.159 1.00 0.00 C ATOM 261 C1' DA B 1 -11.110 16.382 6.216 1.00 0.00 C ATOM 262 N9 DA B 1 -10.627 15.896 7.503 1.00 0.00 N ATOM 263 C8 DA B 1 -11.068 14.916 8.305 1.00 0.00 C ATOM 264 N7 DA B 1 -10.311 14.742 9.403 1.00 0.00 N ATOM 265 C5 DA B 1 -9.287 15.676 9.266 1.00 0.00 C ATOM 266 C6 DA B 1 -8.160 16.024 9.935 1.00 0.00 C ATOM 267 N6 DA B 1 -7.838 15.400 11.058 1.00 0.00 N ATOM 268 N1 DA B 1 -7.306 16.952 9.477 1.00 0.00 N ATOM 269 C2 DA B 1 -7.613 17.528 8.299 1.00 0.00 C ATOM 270 N3 DA B 1 -8.686 17.290 7.587 1.00 0.00 N ATOM 271 C4 DA B 1 -9.496 16.373 8.084 1.00 0.00 C ATOM 0 H5' DA B 1 -14.661 14.395 4.991 1.00 0.00 H new ATOM 0 H5'' DA B 1 -13.488 13.114 4.758 1.00 0.00 H new ATOM 0 H4' DA B 1 -12.976 15.534 4.109 1.00 0.00 H new ATOM 0 H3' DA B 1 -11.006 13.569 5.336 1.00 0.00 H new ATOM 0 H2' DA B 1 -9.378 15.293 5.539 1.00 0.00 H new ATOM 0 H2'' DA B 1 -10.133 16.275 4.299 1.00 0.00 H new ATOM 0 HO5' DA B 1 -13.660 14.526 7.106 1.00 0.00 H new ATOM 0 H1' DA B 1 -10.997 17.463 6.136 1.00 0.00 H new ATOM 0 H8 DA B 1 -11.945 14.324 8.090 1.00 0.00 H new ATOM 0 H61 DA B 1 -6.990 15.661 11.562 1.00 0.00 H new ATOM 0 H62 DA B 1 -8.438 14.658 11.419 1.00 0.00 H new ATOM 0 H2 DA B 1 -6.912 18.250 7.907 1.00 0.00 H new ATOM 284 P DC B 2 -9.995 13.118 2.945 1.00 0.00 P ATOM 285 OP1 DC B 2 -10.001 13.020 1.398 1.00 0.00 O ATOM 286 OP2 DC B 2 -10.281 11.749 3.611 1.00 0.00 O ATOM 287 O5' DC B 2 -8.616 13.652 3.442 1.00 0.00 O ATOM 288 C5' DC B 2 -7.831 14.491 2.605 1.00 0.00 C ATOM 289 C4' DC B 2 -6.632 15.032 3.376 1.00 0.00 C ATOM 290 O4' DC B 2 -6.843 15.527 4.697 1.00 0.00 O ATOM 291 C3' DC B 2 -5.572 13.996 3.561 1.00 0.00 C ATOM 292 O3' DC B 2 -4.905 13.770 2.319 1.00 0.00 O ATOM 293 C2' DC B 2 -4.706 14.669 4.553 1.00 0.00 C ATOM 294 C1' DC B 2 -5.674 15.293 5.488 1.00 0.00 C ATOM 295 N1 DC B 2 -6.011 14.502 6.686 1.00 0.00 N ATOM 296 C2 DC B 2 -5.208 14.542 7.842 1.00 0.00 C ATOM 297 O2 DC B 2 -4.079 15.059 7.959 1.00 0.00 O ATOM 298 N3 DC B 2 -5.727 13.870 8.922 1.00 0.00 N ATOM 299 C4 DC B 2 -6.862 13.226 8.869 1.00 0.00 C ATOM 300 N4 DC B 2 -7.291 12.624 9.958 1.00 0.00 N ATOM 301 C5 DC B 2 -7.627 13.168 7.742 1.00 0.00 C ATOM 302 C6 DC B 2 -7.164 13.832 6.641 1.00 0.00 C ATOM 0 H5' DC B 2 -8.438 15.318 2.235 1.00 0.00 H new ATOM 0 H5'' DC B 2 -7.490 13.931 1.734 1.00 0.00 H new ATOM 0 H4' DC B 2 -6.365 15.867 2.728 1.00 0.00 H new ATOM 0 H3' DC B 2 -5.913 13.012 3.882 1.00 0.00 H new ATOM 0 H2' DC B 2 -4.054 13.960 5.064 1.00 0.00 H new ATOM 0 H2'' DC B 2 -4.062 15.414 4.085 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.228 16.194 5.909 1.00 0.00 H new ATOM 0 H41 DC B 2 -8.174 12.114 9.944 1.00 0.00 H new ATOM 0 H42 DC B 2 -6.740 12.668 10.815 1.00 0.00 H new ATOM 0 H5 DC B 2 -8.558 12.621 7.720 1.00 0.00 H new ATOM 0 H6 DC B 2 -7.737 13.814 5.726 1.00 0.00 H new ATOM 314 P DC B 3 -3.903 12.587 2.145 1.00 0.00 P ATOM 315 OP1 DC B 3 -3.361 12.598 0.694 1.00 0.00 O ATOM 316 OP2 DC B 3 -4.616 11.256 2.488 1.00 0.00 O ATOM 317 O5' DC B 3 -2.739 12.818 3.151 1.00 0.00 O ATOM 318 C5' DC B 3 -1.732 13.793 2.906 1.00 0.00 C ATOM 319 C4' DC B 3 -1.105 14.251 4.239 1.00 0.00 C ATOM 320 O4' DC B 3 -1.971 14.406 5.366 1.00 0.00 O ATOM 321 C3' DC B 3 -0.103 13.228 4.739 1.00 0.00 C ATOM 322 O3' DC B 3 1.191 13.435 4.167 1.00 0.00 O ATOM 323 C2' DC B 3 -0.084 13.431 6.203 1.00 0.00 C ATOM 324 C1' DC B 3 -1.445 13.809 6.557 1.00 0.00 C ATOM 325 N1 DC B 3 -2.337 12.777 7.131 1.00 0.00 N ATOM 326 C2 DC B 3 -2.377 12.560 8.482 1.00 0.00 C ATOM 327 O2 DC B 3 -1.538 13.001 9.236 1.00 0.00 O ATOM 328 N3 DC B 3 -3.389 11.777 8.956 1.00 0.00 N ATOM 329 C4 DC B 3 -4.282 11.266 8.164 1.00 0.00 C ATOM 330 N4 DC B 3 -5.233 10.565 8.734 1.00 0.00 N ATOM 331 C5 DC B 3 -4.252 11.465 6.807 1.00 0.00 C ATOM 332 C6 DC B 3 -3.207 12.234 6.344 1.00 0.00 C ATOM 0 H5' DC B 3 -2.162 14.648 2.384 1.00 0.00 H new ATOM 0 H5'' DC B 3 -0.962 13.377 2.256 1.00 0.00 H new ATOM 0 H4' DC B 3 -0.708 15.225 3.953 1.00 0.00 H new ATOM 0 H3' DC B 3 -0.377 12.210 4.462 1.00 0.00 H new ATOM 0 H2' DC B 3 0.219 12.522 6.722 1.00 0.00 H new ATOM 0 H2'' DC B 3 0.626 14.210 6.483 1.00 0.00 H new ATOM 0 H1' DC B 3 -1.401 14.482 7.413 1.00 0.00 H new ATOM 0 H41 DC B 3 -5.964 10.138 8.164 1.00 0.00 H new ATOM 0 H42 DC B 3 -5.242 10.447 9.747 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.997 11.047 6.146 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.111 12.390 5.280 1.00 0.00 H new ATOM 344 P DC B 4 2.290 12.347 4.386 1.00 0.00 P ATOM 345 OP1 DC B 4 3.659 12.826 3.834 1.00 0.00 O ATOM 346 OP2 DC B 4 1.830 11.041 3.694 1.00 0.00 O ATOM 347 O5' DC B 4 2.359 12.088 5.924 1.00 0.00 O ATOM 348 C5' DC B 4 3.498 12.386 6.723 1.00 0.00 C ATOM 349 C4' DC B 4 3.430 11.521 7.971 1.00 0.00 C ATOM 350 O4' DC B 4 2.261 11.679 8.758 1.00 0.00 O ATOM 351 C3' DC B 4 3.436 10.052 7.626 1.00 0.00 C ATOM 352 O3' DC B 4 4.786 9.665 7.321 1.00 0.00 O ATOM 353 C2' DC B 4 2.860 9.423 8.827 1.00 0.00 C ATOM 354 C1' DC B 4 1.988 10.460 9.436 1.00 0.00 C ATOM 355 N1 DC B 4 0.614 10.025 9.244 1.00 0.00 N ATOM 356 C2 DC B 4 -0.022 9.302 10.227 1.00 0.00 C ATOM 357 O2 DC B 4 0.471 9.084 11.320 1.00 0.00 O ATOM 358 N3 DC B 4 -1.253 8.808 9.924 1.00 0.00 N ATOM 359 C4 DC B 4 -1.783 9.007 8.755 1.00 0.00 C ATOM 360 N4 DC B 4 -2.965 8.472 8.577 1.00 0.00 N ATOM 361 C5 DC B 4 -1.149 9.737 7.769 1.00 0.00 C ATOM 362 C6 DC B 4 0.080 10.246 8.071 1.00 0.00 C ATOM 0 H5' DC B 4 3.511 13.442 6.991 1.00 0.00 H new ATOM 0 H5'' DC B 4 4.416 12.186 6.170 1.00 0.00 H new ATOM 0 H4' DC B 4 4.306 11.852 8.529 1.00 0.00 H new ATOM 0 H3' DC B 4 2.861 9.759 6.748 1.00 0.00 H new ATOM 0 H2' DC B 4 2.288 8.532 8.568 1.00 0.00 H new ATOM 0 H2'' DC B 4 3.641 9.110 9.520 1.00 0.00 H new ATOM 0 H1' DC B 4 2.162 10.606 10.502 1.00 0.00 H new ATOM 0 H41 DC B 4 -3.447 8.584 7.685 1.00 0.00 H new ATOM 0 H42 DC B 4 -3.404 7.943 9.331 1.00 0.00 H new ATOM 0 H5 DC B 4 -1.605 9.898 6.803 1.00 0.00 H new ATOM 0 H6 DC B 4 0.614 10.834 7.339 1.00 0.00 H new ATOM 374 P DG B 5 5.350 8.226 7.583 1.00 0.00 P ATOM 375 OP1 DG B 5 6.845 8.194 7.174 1.00 0.00 O ATOM 376 OP2 DG B 5 4.514 7.204 6.774 1.00 0.00 O ATOM 377 O5' DG B 5 5.208 7.902 9.110 1.00 0.00 O ATOM 378 C5' DG B 5 6.247 7.959 10.090 1.00 0.00 C ATOM 379 C4' DG B 5 5.803 7.056 11.259 1.00 0.00 C ATOM 380 O4' DG B 5 4.425 7.206 11.555 1.00 0.00 O ATOM 381 C3' DG B 5 6.006 5.600 10.920 1.00 0.00 C ATOM 382 O3' DG B 5 6.915 5.018 11.862 1.00 0.00 O ATOM 383 C2' DG B 5 4.650 4.987 10.920 1.00 0.00 C ATOM 384 C1' DG B 5 3.784 5.951 11.688 1.00 0.00 C ATOM 385 N9 DG B 5 2.493 6.029 11.019 1.00 0.00 N ATOM 386 C8 DG B 5 2.377 6.363 9.758 1.00 0.00 C ATOM 387 N7 DG B 5 1.126 6.312 9.262 1.00 0.00 N ATOM 388 C5 DG B 5 0.362 5.895 10.354 1.00 0.00 C ATOM 389 C6 DG B 5 -1.038 5.618 10.544 1.00 0.00 C ATOM 390 O6 DG B 5 -1.976 5.664 9.762 1.00 0.00 O ATOM 391 N1 DG B 5 -1.341 5.230 11.823 1.00 0.00 N ATOM 392 C2 DG B 5 -0.477 5.118 12.792 1.00 0.00 C ATOM 393 N2 DG B 5 -0.963 4.821 13.967 1.00 0.00 N ATOM 394 N3 DG B 5 0.813 5.343 12.690 1.00 0.00 N ATOM 395 C4 DG B 5 1.221 5.727 11.470 1.00 0.00 C ATOM 0 H5' DG B 5 6.403 8.983 10.430 1.00 0.00 H new ATOM 0 H5'' DG B 5 7.193 7.614 9.672 1.00 0.00 H new ATOM 0 H4' DG B 5 6.410 7.358 12.113 1.00 0.00 H new ATOM 0 H3' DG B 5 6.461 5.437 9.943 1.00 0.00 H new ATOM 0 H2' DG B 5 4.280 4.848 9.904 1.00 0.00 H new ATOM 0 H2'' DG B 5 4.661 4.005 11.392 1.00 0.00 H new ATOM 0 H1' DG B 5 3.646 5.657 12.729 1.00 0.00 H new ATOM 0 H8 DG B 5 3.225 6.659 9.158 1.00 0.00 H new ATOM 0 H1 DG B 5 -2.315 5.013 12.032 1.00 0.00 H new ATOM 0 H21 DG B 5 -0.338 4.719 14.767 1.00 0.00 H new ATOM 0 H22 DG B 5 -1.968 4.691 14.085 1.00 0.00 H new ATOM 407 P DG B 6 7.192 3.472 11.942 1.00 0.00 P ATOM 408 OP1 DG B 6 8.490 3.242 12.750 1.00 0.00 O ATOM 409 OP2 DG B 6 7.290 2.883 10.519 1.00 0.00 O ATOM 410 O5' DG B 6 6.008 2.800 12.705 1.00 0.00 O ATOM 411 C5' DG B 6 5.891 2.969 14.113 1.00 0.00 C ATOM 412 C4' DG B 6 4.484 2.587 14.575 1.00 0.00 C ATOM 413 O4' DG B 6 3.495 3.109 13.716 1.00 0.00 O ATOM 414 C3' DG B 6 4.220 1.105 14.546 1.00 0.00 C ATOM 415 O3' DG B 6 4.772 0.499 15.714 1.00 0.00 O ATOM 416 C2' DG B 6 2.722 1.052 14.547 1.00 0.00 C ATOM 417 C1' DG B 6 2.373 2.242 13.679 1.00 0.00 C ATOM 418 N9 DG B 6 1.854 2.196 12.304 1.00 0.00 N ATOM 419 C8 DG B 6 2.507 2.490 11.186 1.00 0.00 C ATOM 420 N7 DG B 6 1.739 2.629 10.087 1.00 0.00 N ATOM 421 C5 DG B 6 0.453 2.377 10.547 1.00 0.00 C ATOM 422 C6 DG B 6 -0.843 2.327 9.925 1.00 0.00 C ATOM 423 O6 DG B 6 -1.196 2.540 8.775 1.00 0.00 O ATOM 424 N1 DG B 6 -1.837 1.982 10.799 1.00 0.00 N ATOM 425 C2 DG B 6 -1.668 1.736 12.060 1.00 0.00 C ATOM 426 N2 DG B 6 -2.726 1.371 12.722 1.00 0.00 N ATOM 427 N3 DG B 6 -0.527 1.781 12.695 1.00 0.00 N ATOM 428 C4 DG B 6 0.525 2.095 11.932 1.00 0.00 C ATOM 0 H5' DG B 6 6.101 4.004 14.381 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.630 2.351 14.624 1.00 0.00 H new ATOM 0 H4' DG B 6 4.437 2.984 15.589 1.00 0.00 H new ATOM 0 H3' DG B 6 4.661 0.576 13.701 1.00 0.00 H new ATOM 0 H2' DG B 6 2.345 0.117 14.131 1.00 0.00 H new ATOM 0 H2'' DG B 6 2.310 1.143 15.552 1.00 0.00 H new ATOM 0 H1' DG B 6 1.434 2.532 14.150 1.00 0.00 H new ATOM 0 H8 DG B 6 3.580 2.610 11.159 1.00 0.00 H new ATOM 0 H1 DG B 6 -2.785 1.913 10.429 1.00 0.00 H new ATOM 0 H21 DG B 6 -2.658 1.163 13.718 1.00 0.00 H new ATOM 0 H22 DG B 6 -3.624 1.293 12.245 1.00 0.00 H new ATOM 440 P DG B 7 5.017 -1.031 15.747 1.00 0.00 P ATOM 441 OP1 DG B 7 5.358 -1.440 17.201 1.00 0.00 O ATOM 442 OP2 DG B 7 6.155 -1.389 14.763 1.00 0.00 O ATOM 443 O5' DG B 7 3.698 -1.705 15.293 1.00 0.00 O ATOM 444 C5' DG B 7 2.832 -2.400 16.182 1.00 0.00 C ATOM 445 C4' DG B 7 1.744 -3.028 15.333 1.00 0.00 C ATOM 446 O4' DG B 7 1.061 -2.104 14.511 1.00 0.00 O ATOM 447 C3' DG B 7 2.322 -4.055 14.406 1.00 0.00 C ATOM 448 O3' DG B 7 2.424 -5.285 15.126 1.00 0.00 O ATOM 449 C2' DG B 7 1.351 -4.085 13.291 1.00 0.00 C ATOM 450 C1' DG B 7 0.650 -2.751 13.325 1.00 0.00 C ATOM 451 N9 DG B 7 0.835 -1.856 12.187 1.00 0.00 N ATOM 452 C8 DG B 7 1.828 -1.009 11.914 1.00 0.00 C ATOM 453 N7 DG B 7 1.702 -0.394 10.722 1.00 0.00 N ATOM 454 C5 DG B 7 0.507 -0.870 10.199 1.00 0.00 C ATOM 455 C6 DG B 7 -0.251 -0.616 9.003 1.00 0.00 C ATOM 456 O6 DG B 7 -0.030 0.105 8.047 1.00 0.00 O ATOM 457 N1 DG B 7 -1.420 -1.320 8.954 1.00 0.00 N ATOM 458 C2 DG B 7 -1.819 -2.145 9.854 1.00 0.00 C ATOM 459 N2 DG B 7 -2.914 -2.768 9.581 1.00 0.00 N ATOM 460 N3 DG B 7 -1.189 -2.431 10.957 1.00 0.00 N ATOM 461 C4 DG B 7 -0.033 -1.783 11.119 1.00 0.00 C ATOM 0 H5' DG B 7 2.404 -1.718 16.916 1.00 0.00 H new ATOM 0 H5'' DG B 7 3.379 -3.163 16.736 1.00 0.00 H new ATOM 0 H4' DG B 7 1.048 -3.459 16.052 1.00 0.00 H new ATOM 0 H3' DG B 7 3.323 -3.853 14.026 1.00 0.00 H new ATOM 0 H2' DG B 7 1.855 -4.238 12.337 1.00 0.00 H new ATOM 0 H2'' DG B 7 0.641 -4.903 13.412 1.00 0.00 H new ATOM 0 H1' DG B 7 -0.416 -2.976 13.280 1.00 0.00 H new ATOM 0 H8 DG B 7 2.655 -0.833 12.585 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.021 -1.180 8.142 1.00 0.00 H new ATOM 0 H21 DG B 7 -3.297 -3.441 10.245 1.00 0.00 H new ATOM 0 H22 DG B 7 -3.397 -2.588 8.701 1.00 0.00 H new ATOM 473 P DT B 8 2.865 -6.621 14.467 1.00 0.00 P ATOM 474 OP1 DT B 8 3.072 -7.681 15.580 1.00 0.00 O ATOM 475 OP2 DT B 8 4.153 -6.393 13.642 1.00 0.00 O ATOM 476 O5' DT B 8 1.724 -7.085 13.506 1.00 0.00 O ATOM 477 C5' DT B 8 0.691 -7.951 13.967 1.00 0.00 C ATOM 478 C4' DT B 8 -0.389 -8.065 12.890 1.00 0.00 C ATOM 479 O4' DT B 8 -0.859 -6.806 12.464 1.00 0.00 O ATOM 480 C3' DT B 8 0.099 -8.677 11.607 1.00 0.00 C ATOM 481 O3' DT B 8 0.287 -10.072 11.684 1.00 0.00 O ATOM 482 C2' DT B 8 -0.963 -8.290 10.646 1.00 0.00 C ATOM 483 C1' DT B 8 -1.341 -6.924 11.136 1.00 0.00 C ATOM 484 N1 DT B 8 -0.759 -5.937 10.229 1.00 0.00 N ATOM 485 C2 DT B 8 -1.382 -5.683 9.021 1.00 0.00 C ATOM 486 O2 DT B 8 -2.439 -6.206 8.734 1.00 0.00 O ATOM 487 N3 DT B 8 -0.776 -4.878 8.176 1.00 0.00 N ATOM 488 C4 DT B 8 0.408 -4.302 8.401 1.00 0.00 C ATOM 489 O4 DT B 8 0.896 -3.599 7.545 1.00 0.00 O ATOM 490 C5 DT B 8 1.057 -4.574 9.695 1.00 0.00 C ATOM 491 C7 DT B 8 2.387 -3.955 10.061 1.00 0.00 C ATOM 492 C6 DT B 8 0.392 -5.406 10.564 1.00 0.00 C ATOM 0 H5' DT B 8 0.261 -7.564 14.891 1.00 0.00 H new ATOM 0 H5'' DT B 8 1.100 -8.935 14.194 1.00 0.00 H new ATOM 0 H4' DT B 8 -1.148 -8.674 13.381 1.00 0.00 H new ATOM 0 H3' DT B 8 1.091 -8.326 11.322 1.00 0.00 H new ATOM 0 H2' DT B 8 -0.597 -8.269 9.620 1.00 0.00 H new ATOM 0 H2'' DT B 8 -1.806 -8.980 10.670 1.00 0.00 H new ATOM 0 HO3' DT B 8 0.602 -10.408 10.819 1.00 0.00 H new ATOM 0 H1' DT B 8 -2.418 -6.758 11.148 1.00 0.00 H new ATOM 0 H3 DT B 8 -1.241 -4.680 7.290 1.00 0.00 H new ATOM 0 H71 DT B 8 2.441 -3.822 11.141 1.00 0.00 H new ATOM 0 H72 DT B 8 3.195 -4.610 9.735 1.00 0.00 H new ATOM 0 H73 DT B 8 2.485 -2.987 9.571 1.00 0.00 H new ATOM 0 H6 DT B 8 0.821 -5.624 11.531 1.00 0.00 H new TER 506 DT B 8 HETATM 507 C1 DDA A 9 -12.175 -2.784 4.609 1.00 0.00 C HETATM 508 C2 DDA A 9 -12.401 -2.280 3.198 1.00 0.00 C HETATM 509 C3 DDA A 9 -13.114 -0.954 3.164 1.00 0.00 C HETATM 510 C4 DDA A 9 -14.198 -0.944 4.244 1.00 0.00 C HETATM 511 C5 DDA A 9 -13.671 -1.403 5.547 1.00 0.00 C HETATM 512 C6 DDA A 9 -14.516 -1.280 6.782 1.00 0.00 C HETATM 513 O5 DDA A 9 -13.311 -2.712 5.385 1.00 0.00 O HETATM 514 O3 DDA A 9 -13.627 -0.694 1.886 1.00 0.00 O HETATM 515 O4 DDA A 9 -14.708 0.343 4.335 1.00 0.00 O HETATM 0 HO4 DDA A 9 -15.589 0.316 4.763 1.00 0.00 H new HETATM 0 HO3 DDA A 9 -14.087 0.171 1.888 1.00 0.00 H new HETATM 0 H63 DDA A 9 -14.762 -0.232 6.951 1.00 0.00 H new HETATM 0 H62 DDA A 9 -15.435 -1.852 6.653 1.00 0.00 H new HETATM 0 H61 DDA A 9 -13.965 -1.667 7.640 1.00 0.00 H new HETATM 0 H5 DDA A 9 -12.862 -0.706 5.766 1.00 0.00 H new HETATM 0 H4 DDA A 9 -14.992 -1.639 3.970 1.00 0.00 H new HETATM 0 H3 DDA A 9 -12.411 -0.149 3.379 1.00 0.00 H new HETATM 0 H22 DDA A 9 -11.440 -2.185 2.692 1.00 0.00 H new HETATM 0 H21 DDA A 9 -12.983 -3.015 2.642 1.00 0.00 H new HETATM 527 C1 DDA A 10 -9.500 -5.264 7.355 1.00 0.00 C HETATM 528 C2 DDA A 10 -9.827 -4.590 6.077 1.00 0.00 C HETATM 529 C3 DDA A 10 -11.325 -4.485 5.942 1.00 0.00 C HETATM 530 C4 DDA A 10 -11.878 -5.854 6.218 1.00 0.00 C HETATM 531 C5 DDA A 10 -11.598 -6.209 7.639 1.00 0.00 C HETATM 532 C6 DDA A 10 -12.072 -7.515 8.069 1.00 0.00 C HETATM 533 O5 DDA A 10 -10.236 -6.403 7.555 1.00 0.00 O HETATM 534 O1 DDA A 10 -8.156 -5.524 7.517 1.00 0.00 O HETATM 535 O3 DDA A 10 -11.632 -4.059 4.634 1.00 0.00 O HETATM 536 O4 DDA A 10 -13.209 -5.971 5.740 1.00 0.00 O HETATM 0 HO4 DDA A 10 -13.356 -5.323 5.020 1.00 0.00 H new HETATM 0 H63 DDA A 10 -13.154 -7.567 7.949 1.00 0.00 H new HETATM 0 H62 DDA A 10 -11.603 -8.290 7.463 1.00 0.00 H new HETATM 0 H61 DDA A 10 -11.815 -7.668 9.117 1.00 0.00 H new HETATM 0 H5 DDA A 10 -12.038 -5.467 8.305 1.00 0.00 H new HETATM 0 H4 DDA A 10 -11.374 -6.634 5.647 1.00 0.00 H new HETATM 0 H3 DDA A 10 -11.757 -3.765 6.637 1.00 0.00 H new HETATM 0 H22 DDA A 10 -9.377 -3.598 6.050 1.00 0.00 H new HETATM 0 H21 DDA A 10 -9.413 -5.151 5.239 1.00 0.00 H new HETATM 0 H1 DDA A 10 -9.778 -4.541 8.122 1.00 0.00 H new HETATM 547 C1 DDA A 11 -7.166 -2.024 17.575 1.00 0.00 C HETATM 548 C2 DDA A 11 -6.946 -0.896 18.524 1.00 0.00 C HETATM 549 C3 DDA A 11 -5.820 -1.189 19.476 1.00 0.00 C HETATM 550 C4 DDA A 11 -6.189 -2.442 20.296 1.00 0.00 C HETATM 551 C5 DDA A 11 -6.548 -3.602 19.328 1.00 0.00 C HETATM 552 C6 DDA A 11 -7.294 -4.748 19.955 1.00 0.00 C HETATM 553 O5 DDA A 11 -7.451 -3.148 18.352 1.00 0.00 O HETATM 554 O1 DDA A 11 -8.185 -1.743 16.652 1.00 0.00 O HETATM 555 O4 DDA A 11 -5.146 -2.885 21.154 1.00 0.00 O HETATM 0 HO4 DDA A 11 -4.520 -2.148 21.316 1.00 0.00 H new HETATM 0 H63 DDA A 11 -6.690 -5.183 20.751 1.00 0.00 H new HETATM 0 H62 DDA A 11 -8.235 -4.386 20.370 1.00 0.00 H new HETATM 0 H61 DDA A 11 -7.498 -5.506 19.199 1.00 0.00 H new HETATM 0 H5 DDA A 11 -5.577 -3.932 18.958 1.00 0.00 H new HETATM 0 H4 DDA A 11 -7.034 -2.161 20.924 1.00 0.00 H new HETATM 0 H22 DDA A 11 -6.724 0.013 17.965 1.00 0.00 H new HETATM 0 H21 DDA A 11 -7.860 -0.709 19.087 1.00 0.00 H new HETATM 0 H1 DDA A 11 -6.278 -2.196 16.967 1.00 0.00 H new HETATM 566 C1 DDL A 12 -4.131 0.223 20.327 1.00 0.00 C HETATM 567 C2 DDL A 12 -3.771 1.666 20.557 1.00 0.00 C HETATM 568 C3 DDL A 12 -2.282 1.959 20.458 1.00 0.00 C HETATM 569 C4 DDL A 12 -1.608 0.985 21.445 1.00 0.00 C HETATM 570 C5 DDL A 12 -2.168 -0.476 21.312 1.00 0.00 C HETATM 571 C6 DDL A 12 -1.561 -1.338 22.393 1.00 0.00 C HETATM 572 O1 DDL A 12 -5.501 -0.054 20.247 1.00 0.00 O HETATM 573 O5 DDL A 12 -3.574 -0.515 21.385 1.00 0.00 O HETATM 574 O4 DDL A 12 -1.681 1.520 22.754 1.00 0.00 O HETATM 0 HO4 DDL A 12 -1.890 2.476 22.705 1.00 0.00 H new HETATM 0 H63 DDL A 12 -0.477 -1.350 22.283 1.00 0.00 H new HETATM 0 H62 DDL A 12 -1.822 -0.933 23.371 1.00 0.00 H new HETATM 0 H61 DDL A 12 -1.946 -2.354 22.307 1.00 0.00 H new HETATM 0 H5 DDL A 12 -1.892 -0.859 20.329 1.00 0.00 H new HETATM 0 H4 DDL A 12 -0.552 0.886 21.196 1.00 0.00 H new HETATM 0 H22 DDL A 12 -4.300 2.282 19.830 1.00 0.00 H new HETATM 0 H21 DDL A 12 -4.124 1.964 21.544 1.00 0.00 H new HETATM 0 H1 DDL A 12 -3.736 -0.049 19.348 1.00 0.00 H new HETATM 585 C1 DDA B 9 6.472 2.132 19.036 1.00 0.00 C HETATM 586 C2 DDA B 9 6.844 3.569 19.043 1.00 0.00 C HETATM 587 C3 DDA B 9 7.850 3.947 17.977 1.00 0.00 C HETATM 588 C4 DDA B 9 8.924 2.916 17.961 1.00 0.00 C HETATM 589 C5 DDA B 9 8.320 1.576 17.920 1.00 0.00 C HETATM 590 C6 DDA B 9 9.186 0.429 17.734 1.00 0.00 C HETATM 591 O5 DDA B 9 7.562 1.354 19.056 1.00 0.00 O HETATM 592 O3 DDA B 9 8.365 5.216 18.141 1.00 0.00 O HETATM 593 O4 DDA B 9 9.729 3.166 16.829 1.00 0.00 O HETATM 0 HO4 DDA B 9 10.536 2.611 16.872 1.00 0.00 H new HETATM 0 HO3 DDA B 9 9.280 5.246 17.791 1.00 0.00 H new HETATM 0 H63 DDA B 9 9.715 0.523 16.786 1.00 0.00 H new HETATM 0 H62 DDA B 9 9.908 0.382 18.549 1.00 0.00 H new HETATM 0 H61 DDA B 9 8.587 -0.482 17.727 1.00 0.00 H new HETATM 0 H5 DDA B 9 7.734 1.628 17.003 1.00 0.00 H new HETATM 0 H4 DDA B 9 9.540 2.962 18.859 1.00 0.00 H new HETATM 0 H3 DDA B 9 7.340 3.973 17.014 1.00 0.00 H new HETATM 0 H22 DDA B 9 5.943 4.168 18.908 1.00 0.00 H new HETATM 0 H21 DDA B 9 7.252 3.824 20.021 1.00 0.00 H new HETATM 605 C1 DDA B 10 2.196 0.848 19.150 1.00 0.00 C HETATM 606 C2 DDA B 10 3.539 1.515 18.973 1.00 0.00 C HETATM 607 C3 DDA B 10 4.625 0.862 19.832 1.00 0.00 C HETATM 608 C4 DDA B 10 4.012 0.474 21.151 1.00 0.00 C HETATM 609 C5 DDA B 10 2.807 -0.383 20.999 1.00 0.00 C HETATM 610 C6 DDA B 10 2.149 -0.744 22.250 1.00 0.00 C HETATM 611 O5 DDA B 10 1.939 0.542 20.457 1.00 0.00 O HETATM 612 O1 DDA B 10 1.151 1.574 18.593 1.00 0.00 O HETATM 613 O3 DDA B 10 5.614 1.834 20.104 1.00 0.00 O HETATM 614 O4 DDA B 10 5.015 0.079 22.064 1.00 0.00 O HETATM 0 HO4 DDA B 10 5.856 0.531 21.842 1.00 0.00 H new HETATM 0 H63 DDA B 10 2.846 -1.293 22.882 1.00 0.00 H new HETATM 0 H62 DDA B 10 1.827 0.161 22.766 1.00 0.00 H new HETATM 0 H61 DDA B 10 1.282 -1.369 22.038 1.00 0.00 H new HETATM 0 H5 DDA B 10 3.056 -1.306 20.476 1.00 0.00 H new HETATM 0 H4 DDA B 10 3.566 1.344 21.634 1.00 0.00 H new HETATM 0 H3 DDA B 10 5.046 -0.003 19.319 1.00 0.00 H new HETATM 0 H22 DDA B 10 3.831 1.468 17.924 1.00 0.00 H new HETATM 0 H21 DDA B 10 3.456 2.570 19.234 1.00 0.00 H new HETATM 0 H1 DDA B 10 2.260 -0.088 18.596 1.00 0.00 H new HETATM 625 C1 DDA B 11 -4.344 -6.939 14.766 1.00 0.00 C HETATM 626 C2 DDA B 11 -4.449 -8.135 13.852 1.00 0.00 C HETATM 627 C3 DDA B 11 -5.870 -8.380 13.394 1.00 0.00 C HETATM 628 C4 DDA B 11 -6.726 -8.670 14.649 1.00 0.00 C HETATM 629 C5 DDA B 11 -6.553 -7.513 15.671 1.00 0.00 C HETATM 630 C6 DDA B 11 -7.015 -7.845 17.072 1.00 0.00 C HETATM 631 O5 DDA B 11 -5.193 -7.214 15.849 1.00 0.00 O HETATM 632 O1 DDA B 11 -3.017 -6.708 15.176 1.00 0.00 O HETATM 633 O4 DDA B 11 -8.117 -8.808 14.396 1.00 0.00 O HETATM 0 HO4 DDA B 11 -8.263 -8.948 13.437 1.00 0.00 H new HETATM 0 H63 DDA B 11 -8.075 -8.099 17.055 1.00 0.00 H new HETATM 0 H62 DDA B 11 -6.445 -8.693 17.452 1.00 0.00 H new HETATM 0 H61 DDA B 11 -6.859 -6.983 17.721 1.00 0.00 H new HETATM 0 H5 DDA B 11 -7.147 -6.704 15.245 1.00 0.00 H new HETATM 0 H4 DDA B 11 -6.366 -9.626 15.029 1.00 0.00 H new HETATM 0 H22 DDA B 11 -3.810 -7.983 12.982 1.00 0.00 H new HETATM 0 H21 DDA B 11 -4.078 -9.020 14.370 1.00 0.00 H new HETATM 0 H1 DDA B 11 -4.642 -6.022 14.258 1.00 0.00 H new HETATM 644 C1 DDL B 12 -6.821 -8.980 11.301 1.00 0.00 C HETATM 645 C2 DDL B 12 -6.598 -9.542 9.898 1.00 0.00 C HETATM 646 C3 DDL B 12 -7.431 -8.809 8.822 1.00 0.00 C HETATM 647 C4 DDL B 12 -8.886 -8.861 9.339 1.00 0.00 C HETATM 648 C5 DDL B 12 -8.989 -8.433 10.834 1.00 0.00 C HETATM 649 C6 DDL B 12 -10.443 -8.370 11.261 1.00 0.00 C HETATM 650 O1 DDL B 12 -5.961 -9.354 12.354 1.00 0.00 O HETATM 651 O5 DDL B 12 -8.169 -9.234 11.648 1.00 0.00 O HETATM 652 O4 DDL B 12 -9.456 -10.128 9.063 1.00 0.00 O HETATM 0 HO4 DDL B 12 -8.962 -10.557 8.334 1.00 0.00 H new HETATM 0 H63 DDL B 12 -10.972 -7.643 10.645 1.00 0.00 H new HETATM 0 H62 DDL B 12 -10.901 -9.351 11.139 1.00 0.00 H new HETATM 0 H61 DDL B 12 -10.502 -8.070 12.307 1.00 0.00 H new HETATM 0 H5 DDL B 12 -8.600 -7.423 10.958 1.00 0.00 H new HETATM 0 H4 DDL B 12 -9.481 -8.124 8.799 1.00 0.00 H new HETATM 0 H22 DDL B 12 -5.540 -9.468 9.645 1.00 0.00 H new HETATM 0 H21 DDL B 12 -6.854 -10.601 9.891 1.00 0.00 H new HETATM 0 H1 DDL B 12 -6.565 -7.925 11.205 1.00 0.00 H new HETATM 663 C1 DDA A 13 1.210 10.123 22.497 1.00 0.00 C HETATM 664 C2 DDA A 13 1.030 8.743 23.051 1.00 0.00 C HETATM 665 C3 DDA A 13 -0.303 8.571 23.624 1.00 0.00 C HETATM 666 C4 DDA A 13 -0.632 9.757 24.460 1.00 0.00 C HETATM 667 C5 DDA A 13 -0.393 11.008 23.700 1.00 0.00 C HETATM 668 C6 DDA A 13 -0.793 12.288 24.253 1.00 0.00 C HETATM 669 O5 DDA A 13 0.910 11.057 23.395 1.00 0.00 O HETATM 670 O3 DDA A 13 -0.407 7.362 24.323 1.00 0.00 O HETATM 671 O4 DDA A 13 -1.948 9.682 24.826 1.00 0.00 O HETATM 0 HO4 DDA A 13 -2.102 10.248 25.611 1.00 0.00 H new HETATM 0 HO3 DDA A 13 -1.309 7.276 24.696 1.00 0.00 H new HETATM 0 H63 DDA A 13 -1.869 12.290 24.425 1.00 0.00 H new HETATM 0 H62 DDA A 13 -0.275 12.454 25.197 1.00 0.00 H new HETATM 0 H61 DDA A 13 -0.536 13.083 23.553 1.00 0.00 H new HETATM 0 H5 DDA A 13 -1.074 10.912 22.854 1.00 0.00 H new HETATM 0 H4 DDA A 13 0.004 9.766 25.345 1.00 0.00 H new HETATM 0 H3 DDA A 13 -1.041 8.509 22.824 1.00 0.00 H new HETATM 0 H22 DDA A 13 1.186 8.008 22.261 1.00 0.00 H new HETATM 0 H21 DDA A 13 1.784 8.554 23.815 1.00 0.00 H new HETATM 683 C1 DDA A 14 3.005 11.552 18.601 1.00 0.00 C HETATM 684 C2 DDA A 14 2.387 10.710 19.678 1.00 0.00 C HETATM 685 C3 DDA A 14 2.632 11.307 21.063 1.00 0.00 C HETATM 686 C4 DDA A 14 4.071 11.774 21.117 1.00 0.00 C HETATM 687 C5 DDA A 14 4.432 12.712 20.011 1.00 0.00 C HETATM 688 C6 DDA A 14 5.851 13.069 19.970 1.00 0.00 C HETATM 689 O5 DDA A 14 4.303 11.879 18.910 1.00 0.00 O HETATM 690 O1 DDA A 14 2.906 10.953 17.354 1.00 0.00 O HETATM 691 O3 DDA A 14 2.464 10.268 22.010 1.00 0.00 O HETATM 692 O4 DDA A 14 4.440 12.114 22.444 1.00 0.00 O HETATM 0 HO4 DDA A 14 4.012 11.494 23.071 1.00 0.00 H new HETATM 0 H63 DDA A 14 6.132 13.553 20.905 1.00 0.00 H new HETATM 0 H62 DDA A 14 6.449 12.168 19.834 1.00 0.00 H new HETATM 0 H61 DDA A 14 6.030 13.752 19.140 1.00 0.00 H new HETATM 0 H5 DDA A 14 3.843 13.626 20.087 1.00 0.00 H new HETATM 0 H4 DDA A 14 4.737 10.945 20.880 1.00 0.00 H new HETATM 0 H3 DDA A 14 1.952 12.134 21.268 1.00 0.00 H new HETATM 0 H22 DDA A 14 1.315 10.622 19.503 1.00 0.00 H new HETATM 0 H21 DDA A 14 2.801 9.702 19.636 1.00 0.00 H new HETATM 0 H1 DDA A 14 2.437 12.481 18.547 1.00 0.00 H new HETATM 703 C1 DDA A 15 1.454 20.014 11.599 1.00 0.00 C HETATM 704 C2 DDA A 15 0.590 21.207 11.250 1.00 0.00 C HETATM 705 C3 DDA A 15 0.687 21.597 9.782 1.00 0.00 C HETATM 706 C4 DDA A 15 2.165 21.908 9.451 1.00 0.00 C HETATM 707 C5 DDA A 15 3.061 20.727 9.901 1.00 0.00 C HETATM 708 C6 DDA A 15 4.536 21.039 9.979 1.00 0.00 C HETATM 709 O5 DDA A 15 2.751 20.372 11.220 1.00 0.00 O HETATM 710 O1 DDA A 15 1.394 19.685 12.970 1.00 0.00 O HETATM 711 O4 DDA A 15 2.409 22.136 8.070 1.00 0.00 O HETATM 0 HO4 DDA A 15 1.561 22.321 7.614 1.00 0.00 H new HETATM 0 H63 DDA A 15 4.895 21.347 8.997 1.00 0.00 H new HETATM 0 H62 DDA A 15 4.700 21.845 10.694 1.00 0.00 H new HETATM 0 H61 DDA A 15 5.079 20.151 10.302 1.00 0.00 H new HETATM 0 H5 DDA A 15 2.871 19.961 9.149 1.00 0.00 H new HETATM 0 H4 DDA A 15 2.401 22.828 9.986 1.00 0.00 H new HETATM 0 H22 DDA A 15 -0.448 20.981 11.493 1.00 0.00 H new HETATM 0 H21 DDA A 15 0.885 22.056 11.867 1.00 0.00 H new HETATM 0 H1 DDA A 15 1.107 19.120 11.081 1.00 0.00 H new HETATM 722 C1 DDL A 16 -0.941 22.387 8.239 1.00 0.00 C HETATM 723 C2 DDL A 16 -2.312 23.019 8.045 1.00 0.00 C HETATM 724 C3 DDL A 16 -3.112 22.329 6.926 1.00 0.00 C HETATM 725 C4 DDL A 16 -2.203 22.341 5.694 1.00 0.00 C HETATM 726 C5 DDL A 16 -0.738 21.924 6.019 1.00 0.00 C HETATM 727 C6 DDL A 16 0.017 21.965 4.727 1.00 0.00 C HETATM 728 O1 DDL A 16 -0.215 22.642 9.421 1.00 0.00 O HETATM 729 O5 DDL A 16 -0.191 22.682 7.075 1.00 0.00 O HETATM 730 O4 DDL A 16 -2.317 23.597 5.045 1.00 0.00 O HETATM 0 HO4 DDL A 16 -3.150 24.033 5.320 1.00 0.00 H new HETATM 0 H63 DDL A 16 -0.436 21.271 4.019 1.00 0.00 H new HETATM 0 H62 DDL A 16 -0.017 22.975 4.318 1.00 0.00 H new HETATM 0 H61 DDL A 16 1.054 21.679 4.902 1.00 0.00 H new HETATM 0 H5 DDL A 16 -0.679 20.909 6.413 1.00 0.00 H new HETATM 0 H4 DDL A 16 -2.538 21.574 4.995 1.00 0.00 H new HETATM 0 H22 DDL A 16 -2.872 22.963 8.978 1.00 0.00 H new HETATM 0 H21 DDL A 16 -2.193 24.076 7.807 1.00 0.00 H new HETATM 0 H1 DDL A 16 -1.131 21.324 8.386 1.00 0.00 H new HETATM 741 C1 DDA B 13 -5.639 16.744 0.246 1.00 0.00 C HETATM 742 C2 DDA B 13 -6.909 16.496 -0.526 1.00 0.00 C HETATM 743 C3 DDA B 13 -6.700 15.454 -1.605 1.00 0.00 C HETATM 744 C4 DDA B 13 -5.392 15.747 -2.366 1.00 0.00 C HETATM 745 C5 DDA B 13 -4.292 15.937 -1.389 1.00 0.00 C HETATM 746 C6 DDA B 13 -2.890 16.077 -1.883 1.00 0.00 C HETATM 747 O5 DDA B 13 -4.583 17.031 -0.606 1.00 0.00 O HETATM 748 O3 DDA B 13 -7.797 15.346 -2.473 1.00 0.00 O HETATM 749 O4 DDA B 13 -5.126 14.632 -3.164 1.00 0.00 O HETATM 0 HO4 DDA B 13 -4.395 14.839 -3.783 1.00 0.00 H new HETATM 0 HO3 DDA B 13 -7.612 14.663 -3.151 1.00 0.00 H new HETATM 0 H63 DDA B 13 -2.608 15.181 -2.435 1.00 0.00 H new HETATM 0 H62 DDA B 13 -2.820 16.945 -2.539 1.00 0.00 H new HETATM 0 H61 DDA B 13 -2.217 16.208 -1.036 1.00 0.00 H new HETATM 0 H5 DDA B 13 -4.275 14.983 -0.862 1.00 0.00 H new HETATM 0 H4 DDA B 13 -5.479 16.647 -2.974 1.00 0.00 H new HETATM 0 H3 DDA B 13 -6.613 14.482 -1.120 1.00 0.00 H new HETATM 0 H22 DDA B 13 -7.693 16.165 0.155 1.00 0.00 H new HETATM 0 H21 DDA B 13 -7.251 17.427 -0.978 1.00 0.00 H new HETATM 760 C1 DDA B 14 -3.852 18.801 4.118 1.00 0.00 C HETATM 761 C2 DDA B 14 -4.999 18.229 3.373 1.00 0.00 C HETATM 762 C3 DDA B 14 -4.651 18.104 1.902 1.00 0.00 C HETATM 763 C4 DDA B 14 -4.123 19.479 1.501 1.00 0.00 C HETATM 764 C5 DDA B 14 -2.868 19.784 2.248 1.00 0.00 C HETATM 765 C6 DDA B 14 -2.284 21.096 1.964 1.00 0.00 C HETATM 766 O5 DDA B 14 -3.384 19.950 3.521 1.00 0.00 O HETATM 767 O1 DDA B 14 -4.133 19.033 5.454 1.00 0.00 O HETATM 768 O3 DDA B 14 -5.828 17.752 1.205 1.00 0.00 O HETATM 769 O4 DDA B 14 -4.127 19.675 0.095 1.00 0.00 O HETATM 0 HO4 DDA B 14 -4.263 18.815 -0.355 1.00 0.00 H new HETATM 0 H63 DDA B 14 -2.041 21.164 0.904 1.00 0.00 H new HETATM 0 H62 DDA B 14 -2.999 21.877 2.223 1.00 0.00 H new HETATM 0 H61 DDA B 14 -1.376 21.226 2.553 1.00 0.00 H new HETATM 0 H5 DDA B 14 -2.110 19.029 2.038 1.00 0.00 H new HETATM 0 H4 DDA B 14 -4.813 20.261 1.819 1.00 0.00 H new HETATM 0 H3 DDA B 14 -3.905 17.341 1.680 1.00 0.00 H new HETATM 0 H22 DDA B 14 -5.255 17.250 3.779 1.00 0.00 H new HETATM 0 H21 DDA B 14 -5.876 18.865 3.495 1.00 0.00 H new HETATM 0 H1 DDA B 14 -3.069 18.043 4.083 1.00 0.00 H new HETATM 780 C1 DDA B 15 5.075 15.473 9.468 1.00 0.00 C HETATM 781 C2 DDA B 15 5.929 14.319 9.853 1.00 0.00 C HETATM 782 C3 DDA B 15 6.464 14.492 11.239 1.00 0.00 C HETATM 783 C4 DDA B 15 7.364 15.734 11.272 1.00 0.00 C HETATM 784 C5 DDA B 15 6.557 16.952 10.741 1.00 0.00 C HETATM 785 C6 DDA B 15 7.396 18.125 10.309 1.00 0.00 C HETATM 786 O5 DDA B 15 5.887 16.611 9.551 1.00 0.00 O HETATM 787 O1 DDA B 15 4.520 15.292 8.194 1.00 0.00 O HETATM 788 O4 DDA B 15 7.844 16.035 12.579 1.00 0.00 O HETATM 0 HO4 DDA B 15 7.709 15.260 13.163 1.00 0.00 H new HETATM 0 H63 DDA B 15 7.984 18.482 11.154 1.00 0.00 H new HETATM 0 H62 DDA B 15 8.065 17.817 9.505 1.00 0.00 H new HETATM 0 H61 DDA B 15 6.747 18.926 9.954 1.00 0.00 H new HETATM 0 H5 DDA B 15 5.917 17.215 11.584 1.00 0.00 H new HETATM 0 H4 DDA B 15 8.232 15.525 10.646 1.00 0.00 H new HETATM 0 H22 DDA B 15 5.350 13.397 9.794 1.00 0.00 H new HETATM 0 H21 DDA B 15 6.755 14.222 9.149 1.00 0.00 H new HETATM 0 H1 DDA B 15 4.219 15.578 10.135 1.00 0.00 H new HETATM 799 C1 DDL B 16 6.546 12.871 12.931 1.00 0.00 C HETATM 800 C2 DDL B 16 6.534 11.382 13.140 1.00 0.00 C HETATM 801 C3 DDL B 16 5.771 10.943 14.382 1.00 0.00 C HETATM 802 C4 DDL B 16 6.407 11.745 15.541 1.00 0.00 C HETATM 803 C5 DDL B 16 6.537 13.263 15.191 1.00 0.00 C HETATM 804 C6 DDL B 16 7.184 13.919 16.379 1.00 0.00 C HETATM 805 O1 DDL B 16 7.067 13.314 11.712 1.00 0.00 O HETATM 806 O5 DDL B 16 7.257 13.463 13.995 1.00 0.00 O HETATM 807 O4 DDL B 16 7.624 11.128 15.929 1.00 0.00 O HETATM 0 HO4 DDL B 16 7.436 10.247 16.314 1.00 0.00 H new HETATM 0 H63 DDL B 16 6.559 13.774 17.260 1.00 0.00 H new HETATM 0 H62 DDL B 16 8.164 13.473 16.552 1.00 0.00 H new HETATM 0 H61 DDL B 16 7.299 14.986 16.188 1.00 0.00 H new HETATM 0 H5 DDL B 16 5.561 13.710 15.002 1.00 0.00 H new HETATM 0 H4 DDL B 16 5.749 11.723 16.410 1.00 0.00 H new HETATM 0 H22 DDL B 16 6.091 10.905 12.265 1.00 0.00 H new HETATM 0 H21 DDL B 16 7.562 11.026 13.211 1.00 0.00 H new HETATM 0 H1 DDL B 16 5.500 13.176 12.905 1.00 0.00 H new HETATM 818 MG MG A 17 -4.494 -2.569 13.629 1.00 0.00 MG HETATM 819 MG MG A 18 0.465 15.875 10.667 1.00 0.00 MG HETATM 820 C1 MDA A 19 -0.892 3.913 20.264 1.00 0.00 C HETATM 821 C2 MDA A 19 -1.255 5.197 19.539 1.00 0.00 C HETATM 822 C3 MDA A 19 -0.052 5.907 18.943 1.00 0.00 C HETATM 823 C4 MDA A 19 1.115 5.861 19.920 1.00 0.00 C HETATM 824 C5 MDA A 19 1.364 4.506 20.556 1.00 0.00 C HETATM 825 C6 MDA A 19 2.477 4.483 21.603 1.00 0.00 C HETATM 826 C3' MDA A 19 -0.459 7.328 18.650 1.00 0.00 C HETATM 827 O1 MDA A 19 -2.050 3.313 20.811 1.00 0.00 O HETATM 828 O5 MDA A 19 0.167 4.113 21.172 1.00 0.00 O HETATM 829 O3 MDA A 19 0.288 5.312 17.714 1.00 0.00 O HETATM 830 O4 MDA A 19 2.246 6.401 19.309 1.00 0.00 O HETATM 0 H3'3 MDA A 19 -1.289 7.330 17.944 1.00 0.00 H new HETATM 0 H3'2 MDA A 19 -0.768 7.816 19.574 1.00 0.00 H new HETATM 0 H3'1 MDA A 19 0.385 7.867 18.220 1.00 0.00 H new HETATM 0 HO4 MDA A 19 2.746 6.936 19.961 1.00 0.00 H new HETATM 0 HO3 MDA A 19 1.247 5.427 17.549 1.00 0.00 H new HETATM 0 H63 MDA A 19 3.416 4.790 21.143 1.00 0.00 H new HETATM 0 H62 MDA A 19 2.229 5.169 22.413 1.00 0.00 H new HETATM 0 H61 MDA A 19 2.581 3.474 22.001 1.00 0.00 H new HETATM 0 H5 MDA A 19 1.690 3.833 19.762 1.00 0.00 H new HETATM 0 H4 MDA A 19 0.844 6.478 20.777 1.00 0.00 H new HETATM 0 H22 MDA A 19 -1.965 4.970 18.744 1.00 0.00 H new HETATM 0 H21 MDA A 19 -1.758 5.869 20.234 1.00 0.00 H new HETATM 0 H1 MDA A 19 -0.498 3.188 19.552 1.00 0.00 H new HETATM 844 C1 MDA A 20 -6.820 -8.401 6.544 1.00 0.00 C HETATM 845 C2 MDA A 20 -5.489 -8.918 6.011 1.00 0.00 C HETATM 846 C3 MDA A 20 -4.825 -7.866 5.112 1.00 0.00 C HETATM 847 C4 MDA A 20 -5.884 -7.360 4.105 1.00 0.00 C HETATM 848 C5 MDA A 20 -7.264 -7.015 4.684 1.00 0.00 C HETATM 849 C6 MDA A 20 -8.251 -6.679 3.575 1.00 0.00 C HETATM 850 C3' MDA A 20 -3.593 -8.376 4.350 1.00 0.00 C HETATM 851 O1 MDA A 20 -7.346 -9.336 7.492 1.00 0.00 O HETATM 852 O5 MDA A 20 -7.694 -8.128 5.462 1.00 0.00 O HETATM 853 O3 MDA A 20 -4.364 -6.838 5.954 1.00 0.00 O HETATM 854 O4 MDA A 20 -5.414 -6.428 3.140 1.00 0.00 O HETATM 0 H3'3 MDA A 20 -2.838 -8.711 5.061 1.00 0.00 H new HETATM 0 H3'2 MDA A 20 -3.881 -9.209 3.708 1.00 0.00 H new HETATM 0 H3'1 MDA A 20 -3.184 -7.571 3.739 1.00 0.00 H new HETATM 0 HO4 MDA A 20 -4.986 -5.673 3.596 1.00 0.00 H new HETATM 0 HO3 MDA A 20 -3.782 -6.236 5.446 1.00 0.00 H new HETATM 0 H63 MDA A 20 -7.885 -5.822 3.009 1.00 0.00 H new HETATM 0 H62 MDA A 20 -8.355 -7.536 2.909 1.00 0.00 H new HETATM 0 H61 MDA A 20 -9.220 -6.438 4.011 1.00 0.00 H new HETATM 0 H5 MDA A 20 -7.206 -6.128 5.316 1.00 0.00 H new HETATM 0 H4 MDA A 20 -6.076 -8.267 3.532 1.00 0.00 H new HETATM 0 H22 MDA A 20 -4.828 -9.164 6.842 1.00 0.00 H new HETATM 0 H21 MDA A 20 -5.648 -9.838 5.448 1.00 0.00 H new HETATM 0 H1 MDA A 20 -6.689 -7.458 7.075 1.00 0.00 H new HETATM 868 C1 MDA B 17 -5.418 21.940 6.563 1.00 0.00 C HETATM 869 C2 MDA B 17 -6.386 22.286 7.694 1.00 0.00 C HETATM 870 C3 MDA B 17 -7.509 21.247 7.828 1.00 0.00 C HETATM 871 C4 MDA B 17 -8.028 20.901 6.411 1.00 0.00 C HETATM 872 C5 MDA B 17 -6.974 20.698 5.316 1.00 0.00 C HETATM 873 C6 MDA B 17 -7.625 20.526 3.952 1.00 0.00 C HETATM 874 C3' MDA B 17 -8.690 21.700 8.698 1.00 0.00 C HETATM 875 O1 MDA B 17 -4.372 22.906 6.577 1.00 0.00 O HETATM 876 O5 MDA B 17 -6.119 21.837 5.342 1.00 0.00 O HETATM 877 O3 MDA B 17 -6.972 20.137 8.497 1.00 0.00 O HETATM 878 O4 MDA B 17 -9.092 19.960 6.368 1.00 0.00 O HETATM 0 H3'3 MDA B 17 -8.337 21.918 9.706 1.00 0.00 H new HETATM 0 H3'2 MDA B 17 -9.136 22.597 8.268 1.00 0.00 H new HETATM 0 H3'1 MDA B 17 -9.437 20.907 8.739 1.00 0.00 H new HETATM 0 HO4 MDA B 17 -8.823 19.141 6.834 1.00 0.00 H new HETATM 0 HO3 MDA B 17 -7.600 19.387 8.442 1.00 0.00 H new HETATM 0 H63 MDA B 17 -8.281 19.656 3.969 1.00 0.00 H new HETATM 0 H62 MDA B 17 -8.208 21.415 3.713 1.00 0.00 H new HETATM 0 H61 MDA B 17 -6.853 20.384 3.196 1.00 0.00 H new HETATM 0 H5 MDA B 17 -6.402 19.788 5.499 1.00 0.00 H new HETATM 0 H4 MDA B 17 -8.483 21.850 6.127 1.00 0.00 H new HETATM 0 H22 MDA B 17 -5.837 22.350 8.634 1.00 0.00 H new HETATM 0 H21 MDA B 17 -6.821 23.269 7.511 1.00 0.00 H new HETATM 0 H1 MDA B 17 -4.954 20.963 6.698 1.00 0.00 H new HETATM 892 C1 MDA B 18 5.201 9.020 15.644 1.00 0.00 C HETATM 893 C2 MDA B 18 4.668 7.646 15.265 1.00 0.00 C HETATM 894 C3 MDA B 18 4.128 6.897 16.475 1.00 0.00 C HETATM 895 C4 MDA B 18 5.165 7.018 17.600 1.00 0.00 C HETATM 896 C5 MDA B 18 5.476 8.474 17.890 1.00 0.00 C HETATM 897 C6 MDA B 18 6.398 8.737 19.078 1.00 0.00 C HETATM 898 C3' MDA B 18 3.865 5.475 16.057 1.00 0.00 C HETATM 899 O1 MDA B 18 5.866 9.542 14.511 1.00 0.00 O HETATM 900 O5 MDA B 18 6.093 8.958 16.726 1.00 0.00 O HETATM 901 O3 MDA B 18 2.880 7.444 16.850 1.00 0.00 O HETATM 902 O4 MDA B 18 4.847 6.269 18.762 1.00 0.00 O HETATM 0 H3'3 MDA B 18 3.134 5.463 15.248 1.00 0.00 H new HETATM 0 H3'2 MDA B 18 4.794 5.019 15.714 1.00 0.00 H new HETATM 0 H3'1 MDA B 18 3.476 4.912 16.906 1.00 0.00 H new HETATM 0 HO4 MDA B 18 3.881 6.106 18.792 1.00 0.00 H new HETATM 0 HO3 MDA B 18 2.573 7.021 17.679 1.00 0.00 H new HETATM 0 H63 MDA B 18 5.945 8.338 19.985 1.00 0.00 H new HETATM 0 H62 MDA B 18 7.359 8.251 18.908 1.00 0.00 H new HETATM 0 H61 MDA B 18 6.550 9.811 19.190 1.00 0.00 H new HETATM 0 H5 MDA B 18 4.542 8.967 18.160 1.00 0.00 H new HETATM 0 H4 MDA B 18 6.080 6.553 17.235 1.00 0.00 H new HETATM 0 H22 MDA B 18 3.878 7.755 14.522 1.00 0.00 H new HETATM 0 H21 MDA B 18 5.463 7.063 14.801 1.00 0.00 H new HETATM 0 H1 MDA B 18 4.370 9.655 15.951 1.00 0.00 H new HETATM 916 C1 DXB A 21 -7.336 -3.011 14.740 1.00 0.00 C HETATM 917 O1 DXB A 21 -6.239 -2.538 14.856 1.00 0.00 O HETATM 918 C9A DXB A 21 -7.705 -3.669 13.493 1.00 0.00 C HETATM 919 C2 DXB A 21 -8.421 -2.880 15.841 1.00 0.00 C HETATM 920 C3 DXB A 21 -9.761 -2.714 15.098 1.00 0.00 C HETATM 921 C4 DXB A 21 -10.099 -3.995 14.309 1.00 0.00 C HETATM 922 C4A DXB A 21 -9.031 -4.135 13.260 1.00 0.00 C HETATM 923 C10 DXB A 21 -9.374 -4.713 12.023 1.00 0.00 C HETATM 924 C5A DXB A 21 -8.374 -4.837 11.060 1.00 0.00 C HETATM 925 C5 DXB A 21 -8.716 -5.290 9.805 1.00 0.00 C HETATM 926 C6 DXB A 21 -7.787 -5.319 8.789 1.00 0.00 C HETATM 927 C7 DXB A 21 -6.483 -4.977 9.027 1.00 0.00 C HETATM 928 CC7 DXB A 21 -5.454 -5.084 7.980 1.00 0.00 C HETATM 929 C8 DXB A 21 -6.115 -4.526 10.256 1.00 0.00 C HETATM 930 O8 DXB A 21 -4.791 -4.253 10.447 1.00 0.00 O HETATM 931 C8A DXB A 21 -7.066 -4.413 11.291 1.00 0.00 C HETATM 932 C9 DXB A 21 -6.748 -3.809 12.488 1.00 0.00 C HETATM 933 O9 DXB A 21 -5.529 -3.196 12.504 1.00 0.00 O HETATM 934 CME DXB A 21 -10.593 -3.056 18.169 1.00 0.00 C HETATM 935 C1S DXB A 21 -10.916 -2.210 15.959 1.00 0.00 C HETATM 936 O1S DXB A 21 -11.309 -3.136 16.958 1.00 0.00 O HETATM 937 C2S DXB A 21 -12.126 -1.870 15.067 1.00 0.00 C HETATM 938 O2S DXB A 21 -11.995 -1.692 13.888 1.00 0.00 O HETATM 939 C3S DXB A 21 -13.467 -1.809 15.722 1.00 0.00 C HETATM 940 O3S DXB A 21 -14.187 -0.610 15.454 1.00 0.00 O HETATM 941 C4S DXB A 21 -14.277 -3.053 15.304 1.00 0.00 C HETATM 942 O4S DXB A 21 -14.346 -3.158 13.895 1.00 0.00 O HETATM 943 C5S DXB A 21 -13.646 -4.360 15.811 1.00 0.00 C HETATM 0 HM73 DXB A 21 -5.381 -6.119 7.646 1.00 0.00 H new HETATM 0 HM72 DXB A 21 -5.726 -4.449 7.137 1.00 0.00 H new HETATM 0 HM71 DXB A 21 -4.492 -4.763 8.381 1.00 0.00 H new HETATM 0 HM53 DXB A 21 -12.640 -4.461 15.403 1.00 0.00 H new HETATM 0 HM52 DXB A 21 -13.596 -4.341 16.900 1.00 0.00 H new HETATM 0 HM51 DXB A 21 -14.254 -5.206 15.490 1.00 0.00 H new HETATM 0 HM13 DXB A 21 -9.535 -3.237 17.979 1.00 0.00 H new HETATM 0 HM12 DXB A 21 -10.719 -2.063 18.601 1.00 0.00 H new HETATM 0 HM11 DXB A 21 -10.970 -3.805 18.865 1.00 0.00 H new HETATM 0 HS4 DXB A 21 -15.265 -2.922 15.744 1.00 0.00 H new HETATM 0 HS3 DXB A 21 -13.307 -1.802 16.800 1.00 0.00 H new HETATM 0 HS1 DXB A 21 -10.558 -1.317 16.472 1.00 0.00 H new HETATM 0 HO8 DXB A 21 -4.674 -3.780 11.297 1.00 0.00 H new HETATM 0 HO4 DXB A 21 -13.635 -2.617 13.491 1.00 0.00 H new HETATM 0 HO3 DXB A 21 -13.612 0.015 14.965 1.00 0.00 H new HETATM 0 H5 DXB A 21 -9.734 -5.630 9.614 1.00 0.00 H new HETATM 0 H4E DXB A 21 -10.115 -4.864 14.966 1.00 0.00 H new HETATM 0 H4A DXB A 21 -11.086 -3.922 13.852 1.00 0.00 H new HETATM 0 H3 DXB A 21 -9.619 -1.902 14.385 1.00 0.00 H new HETATM 0 H22 DXB A 21 -8.436 -3.762 16.481 1.00 0.00 H new HETATM 0 H10 DXB A 21 -10.390 -5.053 11.824 1.00 0.00 H new HETATM 965 C1 DXB B 19 -3.140 -4.332 15.862 1.00 0.00 C HETATM 966 O1 DXB B 19 -3.830 -4.039 14.930 1.00 0.00 O HETATM 967 C9A DXB B 19 -2.393 -3.292 16.598 1.00 0.00 C HETATM 968 C2 DXB B 19 -2.980 -5.825 16.295 1.00 0.00 C HETATM 969 C3 DXB B 19 -1.601 -5.960 16.962 1.00 0.00 C HETATM 970 C4 DXB B 19 -1.539 -5.067 18.213 1.00 0.00 C HETATM 971 C4A DXB B 19 -1.594 -3.653 17.721 1.00 0.00 C HETATM 972 C10 DXB B 19 -0.810 -2.699 18.384 1.00 0.00 C HETATM 973 C5A DXB B 19 -0.834 -1.393 17.932 1.00 0.00 C HETATM 974 C5 DXB B 19 0.029 -0.516 18.547 1.00 0.00 C HETATM 975 C6 DXB B 19 0.162 0.775 18.122 1.00 0.00 C HETATM 976 C7 DXB B 19 -0.625 1.253 17.102 1.00 0.00 C HETATM 977 CC7 DXB B 19 -0.546 2.703 16.761 1.00 0.00 C HETATM 978 C8 DXB B 19 -1.509 0.383 16.449 1.00 0.00 C HETATM 979 O8 DXB B 19 -2.281 0.861 15.425 1.00 0.00 O HETATM 980 C8A DXB B 19 -1.614 -0.981 16.847 1.00 0.00 C HETATM 981 C9 DXB B 19 -2.401 -1.945 16.169 1.00 0.00 C HETATM 982 O9 DXB B 19 -3.107 -1.509 15.057 1.00 0.00 O HETATM 983 CME DXB B 19 -3.034 -8.796 17.755 1.00 0.00 C HETATM 984 C1S DXB B 19 -1.167 -7.396 17.253 1.00 0.00 C HETATM 985 O1S DXB B 19 -1.977 -8.002 18.246 1.00 0.00 O HETATM 986 C2S DXB B 19 0.315 -7.419 17.700 1.00 0.00 C HETATM 987 O2S DXB B 19 1.023 -6.463 17.552 1.00 0.00 O HETATM 988 C3S DXB B 19 0.798 -8.651 18.396 1.00 0.00 C HETATM 989 O3S DXB B 19 1.965 -9.249 17.829 1.00 0.00 O HETATM 990 C4S DXB B 19 1.003 -8.319 19.889 1.00 0.00 C HETATM 991 O4S DXB B 19 1.883 -7.223 20.046 1.00 0.00 O HETATM 992 C5S DXB B 19 -0.311 -7.925 20.585 1.00 0.00 C HETATM 0 HM73 DXB B 19 -0.827 3.297 17.631 1.00 0.00 H new HETATM 0 HM72 DXB B 19 0.473 2.952 16.466 1.00 0.00 H new HETATM 0 HM71 DXB B 19 -1.226 2.921 15.937 1.00 0.00 H new HETATM 0 HM53 DXB B 19 -0.731 -7.045 20.098 1.00 0.00 H new HETATM 0 HM52 DXB B 19 -1.020 -8.750 20.517 1.00 0.00 H new HETATM 0 HM51 DXB B 19 -0.114 -7.701 21.633 1.00 0.00 H new HETATM 0 HM13 DXB B 19 -3.697 -8.182 17.145 1.00 0.00 H new HETATM 0 HM12 DXB B 19 -2.629 -9.606 17.148 1.00 0.00 H new HETATM 0 HM11 DXB B 19 -3.594 -9.214 18.592 1.00 0.00 H new HETATM 0 HS4 DXB B 19 1.408 -9.226 20.338 1.00 0.00 H new HETATM 0 HS3 DXB B 19 0.029 -9.413 18.267 1.00 0.00 H new HETATM 0 HS1 DXB B 19 -1.284 -7.969 16.333 1.00 0.00 H new HETATM 0 HO8 DXB B 19 -2.952 0.190 15.180 1.00 0.00 H new HETATM 0 HO4 DXB B 19 1.892 -6.690 19.223 1.00 0.00 H new HETATM 0 HO3 DXB B 19 2.291 -8.694 17.090 1.00 0.00 H new HETATM 0 H5 DXB B 19 0.622 -0.860 19.395 1.00 0.00 H new HETATM 0 H4E DXB B 19 -2.372 -5.278 18.884 1.00 0.00 H new HETATM 0 H4A DXB B 19 -0.623 -5.248 18.775 1.00 0.00 H new HETATM 0 H3 DXB B 19 -0.869 -5.613 16.233 1.00 0.00 H new HETATM 0 H22 DXB B 19 -3.772 -6.112 16.987 1.00 0.00 H new HETATM 0 H10 DXB B 19 -0.194 -2.981 19.238 1.00 0.00 H new HETATM 1014 C1 DXB A 22 1.994 17.303 12.950 1.00 0.00 C HETATM 1015 O1 DXB A 22 1.225 17.132 12.069 1.00 0.00 O HETATM 1016 C9A DXB A 22 2.446 16.169 13.774 1.00 0.00 C HETATM 1017 C2 DXB A 22 2.422 18.751 13.315 1.00 0.00 C HETATM 1018 C3 DXB A 22 2.639 18.822 14.852 1.00 0.00 C HETATM 1019 C4 DXB A 22 3.694 17.794 15.298 1.00 0.00 C HETATM 1020 C4A DXB A 22 3.164 16.424 14.974 1.00 0.00 C HETATM 1021 C10 DXB A 22 3.437 15.388 15.875 1.00 0.00 C HETATM 1022 C5A DXB A 22 3.027 14.108 15.559 1.00 0.00 C HETATM 1023 C5 DXB A 22 3.248 13.151 16.521 1.00 0.00 C HETATM 1024 C6 DXB A 22 2.838 11.857 16.346 1.00 0.00 C HETATM 1025 C7 DXB A 22 2.244 11.464 15.167 1.00 0.00 C HETATM 1026 CC7 DXB A 22 1.925 10.012 14.975 1.00 0.00 C HETATM 1027 C8 DXB A 22 1.996 12.426 14.170 1.00 0.00 C HETATM 1028 O8 DXB A 22 1.420 12.047 12.985 1.00 0.00 O HETATM 1029 C8A DXB A 22 2.369 13.788 14.365 1.00 0.00 C HETATM 1030 C9 DXB A 22 2.065 14.834 13.458 1.00 0.00 C HETATM 1031 O9 DXB A 22 1.386 14.514 12.284 1.00 0.00 O HETATM 1032 CME DXB A 22 3.673 21.959 13.874 1.00 0.00 C HETATM 1033 C1S DXB A 22 2.992 20.257 15.343 1.00 0.00 C HETATM 1034 O1S DXB A 22 4.008 20.839 14.570 1.00 0.00 O HETATM 1035 C2S DXB A 22 3.413 20.315 16.817 1.00 0.00 C HETATM 1036 O2S DXB A 22 4.448 20.286 17.099 1.00 0.00 O HETATM 1037 C3S DXB A 22 2.439 20.521 17.868 1.00 0.00 C HETATM 1038 O3S DXB A 22 1.843 19.405 18.271 1.00 0.00 O HETATM 1039 C4S DXB A 22 3.135 21.112 19.031 1.00 0.00 C HETATM 1040 O4S DXB A 22 4.015 21.640 18.896 1.00 0.00 O HETATM 1041 C5S DXB A 22 2.570 21.922 19.652 1.00 0.00 C HETATM 0 HM73 DXB A 22 2.843 9.427 15.032 1.00 0.00 H new HETATM 0 HM72 DXB A 22 1.237 9.684 15.755 1.00 0.00 H new HETATM 0 HM71 DXB A 22 1.462 9.867 13.999 1.00 0.00 H new HETATM 0 HM53 DXB A 22 2.324 22.767 19.009 1.00 0.00 H new HETATM 0 HM52 DXB A 22 1.653 21.495 20.057 1.00 0.00 H new HETATM 0 HM51 DXB A 22 3.205 22.261 20.470 1.00 0.00 H new HETATM 0 HM13 DXB A 22 2.865 21.728 13.180 1.00 0.00 H new HETATM 0 HM12 DXB A 22 3.345 22.734 14.567 1.00 0.00 H new HETATM 0 HM11 DXB A 22 4.540 22.314 13.317 1.00 0.00 H new HETATM 0 HS4 DXB A 22 3.262 20.135 19.498 1.00 0.00 H new HETATM 0 HS3 DXB A 22 1.664 21.171 17.462 1.00 0.00 H new HETATM 0 HS1 DXB A 22 2.065 20.820 15.229 1.00 0.00 H new HETATM 0 HO9 DXB A 22 1.068 15.336 11.856 1.00 0.00 H new HETATM 0 HO8 DXB A 22 1.561 12.747 12.314 1.00 0.00 H new HETATM 0 HO3 DXB A 22 0.960 19.336 17.851 1.00 0.00 H new HETATM 0 H5 DXB A 22 3.760 13.429 17.442 1.00 0.00 H new HETATM 0 H4E DXB A 22 4.640 17.969 14.785 1.00 0.00 H new HETATM 0 H4A DXB A 22 3.889 17.886 16.366 1.00 0.00 H new HETATM 0 H3 DXB A 22 1.690 18.567 15.324 1.00 0.00 H new HETATM 0 H22 DXB A 22 3.338 19.020 12.789 1.00 0.00 H new HETATM 0 H10 DXB A 22 3.963 15.588 16.808 1.00 0.00 H new HETATM 1063 C1 DXB B 20 2.478 16.605 8.489 1.00 0.00 C HETATM 1064 O1 DXB B 20 2.243 16.106 9.551 1.00 0.00 O HETATM 1065 C9A DXB B 20 1.410 17.291 7.779 1.00 0.00 C HETATM 1066 C2 DXB B 20 3.861 16.472 7.786 1.00 0.00 C HETATM 1067 C3 DXB B 20 3.584 16.379 6.270 1.00 0.00 C HETATM 1068 C4 DXB B 20 2.936 17.686 5.780 1.00 0.00 C HETATM 1069 C4A DXB B 20 1.599 17.766 6.452 1.00 0.00 C HETATM 1070 C10 DXB B 20 0.527 18.323 5.742 1.00 0.00 C HETATM 1071 C5A DXB B 20 0.157 17.442 8.382 1.00 0.00 C HETATM 1072 C5 DXB B 20 -1.784 18.836 5.656 1.00 0.00 C HETATM 1073 C6 DXB B 20 -3.038 18.874 6.219 1.00 0.00 C HETATM 1074 C7 DXB B 20 -3.207 18.597 7.558 1.00 0.00 C HETATM 1075 CC7 DXB B 20 -4.516 18.749 8.207 1.00 0.00 C HETATM 1076 C8 DXB B 20 -2.143 18.186 8.308 1.00 0.00 C HETATM 1077 O8 DXB B 20 -2.310 18.066 9.672 1.00 0.00 O HETATM 1078 C8A DXB B 20 -0.877 18.043 7.709 1.00 0.00 C HETATM 1079 C9 DXB B 20 -0.697 18.428 6.386 1.00 0.00 C HETATM 1080 O9 DXB B 20 -0.235 16.883 9.553 1.00 0.00 O HETATM 1081 CME DXB B 20 6.834 16.657 6.456 1.00 0.00 C HETATM 1082 C1S DXB B 20 4.788 15.969 5.431 1.00 0.00 C HETATM 1083 O1S DXB B 20 5.842 16.916 5.488 1.00 0.00 O HETATM 1084 C2S DXB B 20 4.378 15.754 3.958 1.00 0.00 C HETATM 1085 O2S DXB B 20 3.227 15.759 3.623 1.00 0.00 O HETATM 1086 C3S DXB B 20 5.495 15.599 2.969 1.00 0.00 C HETATM 1087 O3S DXB B 20 5.442 14.401 2.196 1.00 0.00 O HETATM 1088 C4S DXB B 20 5.524 16.851 2.069 1.00 0.00 C HETATM 1089 O4S DXB B 20 4.273 17.046 1.439 1.00 0.00 O HETATM 1090 C5S DXB B 20 5.809 18.135 2.869 1.00 0.00 C HETATM 0 HM73 DXB B 20 -4.847 19.784 8.121 1.00 0.00 H new HETATM 0 HM72 DXB B 20 -5.241 18.095 7.722 1.00 0.00 H new HETATM 0 HM71 DXB B 20 -4.433 18.481 9.260 1.00 0.00 H new HETATM 0 HM53 DXB B 20 5.032 18.276 3.620 1.00 0.00 H new HETATM 0 HM52 DXB B 20 6.778 18.050 3.361 1.00 0.00 H new HETATM 0 HM51 DXB B 20 5.820 18.990 2.193 1.00 0.00 H new HETATM 0 HM13 DXB B 20 6.380 16.640 7.447 1.00 0.00 H new HETATM 0 HM12 DXB B 20 7.297 15.691 6.253 1.00 0.00 H new HETATM 0 HM11 DXB B 20 7.593 17.439 6.418 1.00 0.00 H new HETATM 0 HS4 DXB B 20 6.317 16.674 1.343 1.00 0.00 H new HETATM 0 HS3 DXB B 20 6.422 15.507 3.535 1.00 0.00 H new HETATM 0 HS1 DXB B 20 5.154 15.035 5.856 1.00 0.00 H new HETATM 0 HO8 DXB B 20 -1.433 18.026 10.107 1.00 0.00 H new HETATM 0 HO4 DXB B 20 3.575 16.583 1.948 1.00 0.00 H new HETATM 0 HO3 DXB B 20 4.858 13.751 2.640 1.00 0.00 H new HETATM 0 H5 DXB B 20 -1.461 19.142 4.661 1.00 0.00 H new HETATM 0 H4E DXB B 20 3.553 18.547 6.037 1.00 0.00 H new HETATM 0 H4A DXB B 20 2.827 17.684 4.695 1.00 0.00 H new HETATM 0 H3 DXB B 20 2.881 15.558 6.125 1.00 0.00 H new HETATM 0 H22 DXB B 20 4.493 17.331 8.011 1.00 0.00 H new CONECT 507 508 513 516 535 CONECT 508 507 509 517 518 CONECT 509 508 510 514 519 CONECT 510 509 511 515 520 CONECT 511 510 512 513 521 CONECT 512 511 522 523 524 CONECT 513 507 511 CONECT 514 509 525 CONECT 515 510 526 CONECT 516 507 CONECT 517 508 CONECT 518 508 CONECT 519 509 CONECT 520 510 CONECT 521 511 CONECT 522 512 CONECT 523 512 CONECT 524 512 CONECT 525 514 CONECT 526 515 CONECT 527 528 533 534 537 CONECT 528 527 529 538 539 CONECT 529 528 530 535 540 CONECT 530 529 531 536 541 CONECT 531 530 532 533 542 CONECT 532 531 543 544 545 CONECT 533 527 531 CONECT 534 527 926 CONECT 535 507 529 CONECT 536 530 546 CONECT 537 527 CONECT 538 528 CONECT 539 528 CONECT 540 529 CONECT 541 530 CONECT 542 531 CONECT 543 532 CONECT 544 532 CONECT 545 532 CONECT 546 536 CONECT 547 548 553 554 556 CONECT 548 547 549 557 558 CONECT 549 548 550 559 572 CONECT 550 549 551 555 560 CONECT 551 550 552 553 561 CONECT 552 551 562 563 564 CONECT 553 547 551 CONECT 554 547 919 CONECT 555 550 565 CONECT 556 547 CONECT 557 548 CONECT 558 548 CONECT 559 549 CONECT 560 550 CONECT 561 551 CONECT 562 552 CONECT 563 552 CONECT 564 552 CONECT 565 555 CONECT 566 567 572 573 575 CONECT 567 566 568 576 577 CONECT 568 567 569 578 827 CONECT 569 568 570 574 579 CONECT 570 569 571 573 580 CONECT 571 570 581 582 583 CONECT 572 549 566 CONECT 573 566 570 CONECT 574 569 584 CONECT 575 566 CONECT 576 567 CONECT 577 567 CONECT 578 568 CONECT 579 569 CONECT 580 570 CONECT 581 571 CONECT 582 571 CONECT 583 571 CONECT 584 574 CONECT 585 586 591 594 613 CONECT 586 585 587 595 596 CONECT 587 586 588 592 597 CONECT 588 587 589 593 598 CONECT 589 588 590 591 599 CONECT 590 589 600 601 602 CONECT 591 585 589 CONECT 592 587 603 CONECT 593 588 604 CONECT 594 585 CONECT 595 586 CONECT 596 586 CONECT 597 587 CONECT 598 588 CONECT 599 589 CONECT 600 590 CONECT 601 590 CONECT 602 590 CONECT 603 592 CONECT 604 593 CONECT 605 606 611 612 615 CONECT 606 605 607 616 617 CONECT 607 606 608 613 618 CONECT 608 607 609 614 619 CONECT 609 608 610 611 620 CONECT 610 609 621 622 623 CONECT 611 605 609 CONECT 612 605 975 CONECT 613 585 607 CONECT 614 608 624 CONECT 615 605 CONECT 616 606 CONECT 617 606 CONECT 618 607 CONECT 619 608 CONECT 620 609 CONECT 621 610 CONECT 622 610 CONECT 623 610 CONECT 624 614 CONECT 625 626 631 632 634 CONECT 626 625 627 635 636 CONECT 627 626 628 637 650 CONECT 628 627 629 633 638 CONECT 629 628 630 631 639 CONECT 630 629 640 641 642 CONECT 631 625 629 CONECT 632 625 968 CONECT 633 628 643 CONECT 634 625 CONECT 635 626 CONECT 636 626 CONECT 637 627 CONECT 638 628 CONECT 639 629 CONECT 640 630 CONECT 641 630 CONECT 642 630 CONECT 643 633 CONECT 644 645 650 651 653 CONECT 645 644 646 654 655 CONECT 646 645 647 656 851 CONECT 647 646 648 652 657 CONECT 648 647 649 651 658 CONECT 649 648 659 660 661 CONECT 650 627 644 CONECT 651 644 648 CONECT 652 647 662 CONECT 653 644 CONECT 654 645 CONECT 655 645 CONECT 656 646 CONECT 657 647 CONECT 658 648 CONECT 659 649 CONECT 660 649 CONECT 661 649 CONECT 662 652 CONECT 663 664 669 672 691 CONECT 664 663 665 673 674 CONECT 665 664 666 670 675 CONECT 666 665 667 671 676 CONECT 667 666 668 669 677 CONECT 668 667 678 679 680 CONECT 669 663 667 CONECT 670 665 681 CONECT 671 666 682 CONECT 672 663 CONECT 673 664 CONECT 674 664 CONECT 675 665 CONECT 676 666 CONECT 677 667 CONECT 678 668 CONECT 679 668 CONECT 680 668 CONECT 681 670 CONECT 682 671 CONECT 683 684 689 690 693 CONECT 684 683 685 694 695 CONECT 685 684 686 691 696 CONECT 686 685 687 692 697 CONECT 687 686 688 689 698 CONECT 688 687 699 700 701 CONECT 689 683 687 CONECT 690 683 1024 CONECT 691 663 685 CONECT 692 686 702 CONECT 693 683 CONECT 694 684 CONECT 695 684 CONECT 696 685 CONECT 697 686 CONECT 698 687 CONECT 699 688 CONECT 700 688 CONECT 701 688 CONECT 702 692 CONECT 703 704 709 710 712 CONECT 704 703 705 713 714 CONECT 705 704 706 715 728 CONECT 706 705 707 711 716 CONECT 707 706 708 709 717 CONECT 708 707 718 719 720 CONECT 709 703 707 CONECT 710 703 1017 CONECT 711 706 721 CONECT 712 703 CONECT 713 704 CONECT 714 704 CONECT 715 705 CONECT 716 706 CONECT 717 707 CONECT 718 708 CONECT 719 708 CONECT 720 708 CONECT 721 711 CONECT 722 723 728 729 731 CONECT 723 722 724 732 733 CONECT 724 723 725 734 875 CONECT 725 724 726 730 735 CONECT 726 725 727 729 736 CONECT 727 726 737 738 739 CONECT 728 705 722 CONECT 729 722 726 CONECT 730 725 740 CONECT 731 722 CONECT 732 723 CONECT 733 723 CONECT 734 724 CONECT 735 725 CONECT 736 726 CONECT 737 727 CONECT 738 727 CONECT 739 727 CONECT 740 730 CONECT 741 742 747 750 768 CONECT 742 741 743 751 752 CONECT 743 742 744 748 753 CONECT 744 743 745 749 754 CONECT 745 744 746 747 755 CONECT 746 745 756 757 CONECT 747 741 745 CONECT 748 743 758 CONECT 749 744 759 CONECT 750 741 CONECT 751 742 CONECT 752 742 CONECT 753 743 CONECT 754 744 CONECT 755 745 CONECT 756 746 CONECT 757 746 CONECT 758 748 CONECT 759 749 CONECT 760 761 766 767 770 CONECT 761 760 762 771 772 CONECT 762 761 763 768 773 CONECT 763 762 764 769 774 CONECT 764 763 765 766 775 CONECT 765 764 776 777 778 CONECT 766 760 764 CONECT 767 760 1073 CONECT 768 741 762 CONECT 769 763 779 CONECT 770 760 CONECT 771 761 CONECT 772 761 CONECT 773 762 CONECT 774 763 CONECT 775 764 CONECT 776 765 CONECT 777 765 CONECT 778 765 CONECT 779 769 CONECT 780 781 786 787 789 CONECT 781 780 782 790 791 CONECT 782 781 783 792 805 CONECT 783 782 784 788 793 CONECT 784 783 785 786 794 CONECT 785 784 795 796 797 CONECT 786 780 784 CONECT 787 780 1066 CONECT 788 783 798 CONECT 789 780 CONECT 790 781 CONECT 791 781 CONECT 792 782 CONECT 793 783 CONECT 794 784 CONECT 795 785 CONECT 796 785 CONECT 797 785 CONECT 798 788 CONECT 799 800 805 806 808 CONECT 800 799 801 809 810 CONECT 801 800 802 811 899 CONECT 802 801 803 807 812 CONECT 803 802 804 806 813 CONECT 804 803 814 815 816 CONECT 805 782 799 CONECT 806 799 803 CONECT 807 802 817 CONECT 808 799 CONECT 809 800 CONECT 810 800 CONECT 811 801 CONECT 812 802 CONECT 813 803 CONECT 814 804 CONECT 815 804 CONECT 816 804 CONECT 817 807 CONECT 818 917 933 966 982 CONECT 819 1015 1031 1064 1080 CONECT 820 821 827 828 831 CONECT 821 820 822 832 833 CONECT 822 821 823 826 829 CONECT 823 822 824 830 834 CONECT 824 823 825 828 835 CONECT 825 824 836 837 838 CONECT 826 822 839 840 841 CONECT 827 568 820 CONECT 828 820 824 CONECT 829 822 842 CONECT 830 823 843 CONECT 831 820 CONECT 832 821 CONECT 833 821 CONECT 834 823 CONECT 835 824 CONECT 836 825 CONECT 837 825 CONECT 838 825 CONECT 839 826 CONECT 840 826 CONECT 841 826 CONECT 842 829 CONECT 843 830 CONECT 844 845 851 852 855 CONECT 845 844 846 856 857 CONECT 846 845 847 850 853 CONECT 847 846 848 854 858 CONECT 848 847 849 852 859 CONECT 849 848 860 861 862 CONECT 850 846 863 864 865 CONECT 851 646 844 CONECT 852 844 848 CONECT 853 846 866 CONECT 854 847 867 CONECT 855 844 CONECT 856 845 CONECT 857 845 CONECT 858 847 CONECT 859 848 CONECT 860 849 CONECT 861 849 CONECT 862 849 CONECT 863 850 CONECT 864 850 CONECT 865 850 CONECT 866 853 CONECT 867 854 CONECT 868 869 875 876 879 CONECT 869 868 870 880 881 CONECT 870 869 871 874 877 CONECT 871 870 872 878 882 CONECT 872 871 873 876 883 CONECT 873 872 884 885 886 CONECT 874 870 887 888 889 CONECT 875 724 868 CONECT 876 868 872 CONECT 877 870 890 CONECT 878 871 891 CONECT 879 868 CONECT 880 869 CONECT 881 869 CONECT 882 871 CONECT 883 872 CONECT 884 873 CONECT 885 873 CONECT 886 873 CONECT 887 874 CONECT 888 874 CONECT 889 874 CONECT 890 877 CONECT 891 878 CONECT 892 893 899 900 903 CONECT 893 892 894 904 905 CONECT 894 893 895 898 901 CONECT 895 894 896 902 906 CONECT 896 895 897 900 907 CONECT 897 896 908 909 910 CONECT 898 894 911 912 913 CONECT 899 801 892 CONECT 900 892 896 CONECT 901 894 914 CONECT 902 895 915 CONECT 903 892 CONECT 904 893 CONECT 905 893 CONECT 906 895 CONECT 907 896 CONECT 908 897 CONECT 909 897 CONECT 910 897 CONECT 911 898 CONECT 912 898 CONECT 913 898 CONECT 914 901 CONECT 915 902 CONECT 916 917 918 919 CONECT 917 818 916 CONECT 918 916 922 932 CONECT 919 554 916 920 944 CONECT 920 919 921 935 945 CONECT 921 920 922 946 947 CONECT 922 918 921 923 CONECT 923 922 924 948 CONECT 924 923 925 931 CONECT 925 924 926 949 CONECT 926 534 925 927 CONECT 927 926 928 929 CONECT 928 927 950 951 952 CONECT 929 927 930 931 CONECT 930 929 953 CONECT 931 924 929 932 CONECT 932 918 931 933 CONECT 933 818 932 CONECT 934 936 954 955 956 CONECT 935 920 936 937 957 CONECT 936 934 935 CONECT 937 935 938 939 CONECT 938 937 CONECT 939 937 940 941 958 CONECT 940 939 959 CONECT 941 939 942 943 960 CONECT 942 941 961 CONECT 943 941 962 963 964 CONECT 944 919 CONECT 945 920 CONECT 946 921 CONECT 947 921 CONECT 948 923 CONECT 949 925 CONECT 950 928 CONECT 951 928 CONECT 952 928 CONECT 953 930 CONECT 954 934 CONECT 955 934 CONECT 956 934 CONECT 957 935 CONECT 958 939 CONECT 959 940 CONECT 960 941 CONECT 961 942 CONECT 962 943 CONECT 963 943 CONECT 964 943 CONECT 965 966 967 968 CONECT 966 818 965 CONECT 967 965 971 981 CONECT 968 632 965 969 993 CONECT 969 968 970 984 994 CONECT 970 969 971 995 996 CONECT 971 967 970 972 CONECT 972 971 973 997 CONECT 973 972 974 980 CONECT 974 973 975 998 CONECT 975 612 974 976 CONECT 976 975 977 978 CONECT 977 976 999 1000 1001 CONECT 978 976 979 980 CONECT 979 978 1002 CONECT 980 973 978 981 CONECT 981 967 980 982 CONECT 982 818 981 CONECT 983 985 1003 1004 1005 CONECT 984 969 985 986 1006 CONECT 985 983 984 CONECT 986 984 987 988 CONECT 987 986 CONECT 988 986 989 990 1007 CONECT 989 988 1008 CONECT 990 988 991 992 1009 CONECT 991 990 1010 CONECT 992 990 1011 1012 1013 CONECT 993 968 CONECT 994 969 CONECT 995 970 CONECT 996 970 CONECT 997 972 CONECT 998 974 CONECT 999 977 CONECT 1000 977 CONECT 1001 977 CONECT 1002 979 CONECT 1003 983 CONECT 1004 983 CONECT 1005 983 CONECT 1006 984 CONECT 1007 988 CONECT 1008 989 CONECT 1009 990 CONECT 1010 991 CONECT 1011 992 CONECT 1012 992 CONECT 1013 992 CONECT 1014 1015 1016 1017 CONECT 1015 819 1014 CONECT 1016 1014 1020 1030 CONECT 1017 710 1014 1018 1042 CONECT 1018 1017 1019 1033 1043 CONECT 1019 1018 1020 1044 1045 CONECT 1020 1016 1019 1021 CONECT 1021 1020 1022 1046 CONECT 1022 1021 1023 1029 CONECT 1023 1022 1024 1047 CONECT 1024 690 1023 1025 CONECT 1025 1024 1026 1027 CONECT 1026 1025 1048 1049 1050 CONECT 1027 1025 1028 1029 CONECT 1028 1027 1051 CONECT 1029 1022 1027 1030 CONECT 1030 1016 1029 1031 CONECT 1031 819 1030 CONECT 1032 1034 1052 1053 1054 CONECT 1033 1018 1034 1035 1055 CONECT 1034 1032 1033 CONECT 1035 1033 1036 1037 CONECT 1036 1035 CONECT 1037 1035 1038 1039 1056 CONECT 1038 1037 1057 CONECT 1039 1037 1040 1041 1058 CONECT 1040 1039 1059 CONECT 1041 1039 1060 1061 1062 CONECT 1042 1017 CONECT 1043 1018 CONECT 1044 1019 CONECT 1045 1019 CONECT 1046 1021 CONECT 1047 1023 CONECT 1048 1026 CONECT 1049 1026 CONECT 1050 1026 CONECT 1051 1028 CONECT 1052 1032 CONECT 1053 1032 CONECT 1054 1032 CONECT 1055 1033 CONECT 1056 1037 CONECT 1057 1038 CONECT 1058 1039 CONECT 1059 1040 CONECT 1060 1041 CONECT 1061 1041 CONECT 1062 1041 CONECT 1063 1064 1065 1066 CONECT 1064 819 1063 CONECT 1065 1063 1069 1079 CONECT 1066 787 1063 1067 1091 CONECT 1067 1066 1068 1082 1092 CONECT 1068 1067 1069 1093 1094 CONECT 1069 1065 1068 1070 CONECT 1070 1069 1071 1095 CONECT 1071 1070 1072 1078 CONECT 1072 1071 1073 1096 CONECT 1073 767 1072 1074 CONECT 1074 1073 1075 1076 CONECT 1075 1074 1097 1098 1099 CONECT 1076 1074 1077 1078 CONECT 1077 1076 1100 CONECT 1078 1071 1076 1079 CONECT 1079 1065 1078 1080 CONECT 1080 819 1079 CONECT 1081 1083 1101 1102 1103 CONECT 1082 1067 1083 1084 1104 CONECT 1083 1081 1082 CONECT 1084 1082 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1088 1105 CONECT 1087 1086 1106 CONECT 1088 1086 1089 1090 1107 CONECT 1089 1088 1108 CONECT 1090 1088 1109 1110 1111 CONECT 1091 1066 CONECT 1092 1067 CONECT 1093 1068 CONECT 1094 1068 CONECT 1095 1070 CONECT 1096 1072 CONECT 1097 1075 CONECT 1098 1075 CONECT 1099 1075 CONECT 1100 1077 CONECT 1101 1081 CONECT 1102 1081 CONECT 1103 1081 CONECT 1104 1082 CONECT 1105 1086 CONECT 1106 1087 CONECT 1107 1088 CONECT 1108 1089 CONECT 1109 1090 CONECT 1110 1090 CONECT 1111 1090 END