HEADER DNA 08-MAR-00 1EKI TITLE AVERAGE SOLUTION STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND TITLE 2 COBALT CAVEAT 1EKI CHIRALITY INCORRECT C3' OF A 8 AND OF B 18 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*TP*TP*GP*GP*CP*CP*AP*A)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: TWO MOLECULES OF THE DRUG CHROMOMYCIN A3 (1GL-2GL-DXB- COMPND 6 DDA-DDA-1AR, CHAINS C, AND D) ARE BOUND IN THE MINOR GROOVE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DRUG BOUND IN THE MINOR GROOVE OF DNA, DNA EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.GOCHIN REVDAT 4 28-DEC-11 1EKI 1 CAVEAT VERSN REVDAT 3 24-FEB-09 1EKI 1 VERSN REVDAT 2 23-MAY-00 1EKI 1 JRNL REVDAT 1 20-MAR-00 1EKI 0 JRNL AUTH M.GOCHIN JRNL TITL A HIGH-RESOLUTION STRUCTURE OF A DNA-CHROMOMYCIN-CO(II) JRNL TITL 2 COMPLEX DETERMINED FROM PSEUDOCONTACT SHIFTS IN NUCLEAR JRNL TITL 3 MAGNETIC RESONANCE. JRNL REF STRUCTURE FOLD.DES. V. 8 441 2000 JRNL REFN ISSN 0969-2126 JRNL PMID 10801486 JRNL DOI 10.1016/S0969-2126(00)00124-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.TU,M.GOCHIN REMARK 1 TITL STRUCTURE DETERMINATION BY RESTRAINED MOLECULAR DYNAMICS REMARK 1 TITL 2 USING NMR PSEUDOCONTACT SHIFTS AS EXPERIMENTALLY DETERMINED REMARK 1 TITL 3 CONSTRAINTS REMARK 1 REF J.AM.CHEM.SOC. V. 121 9276 1999 REMARK 1 REFN ISSN 0002-7863 REMARK 1 DOI 10.1021/JA9904540 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.0, 3.851 REMARK 3 AUTHORS : BRUNGER (MODIFIED GOCHIN AND TU) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MOLECULAR DYNAMICS, ISOLATED SPIN-PAIR REMARK 3 APPROXIMATION FOR NOE'S; PSEUDOCONTACT SHIFT REFINEMENT REMARK 4 REMARK 4 1EKI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-MAR-00. REMARK 100 THE RCSB ID CODE IS RCSB010675. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6 REMARK 210 IONIC STRENGTH : 110MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 2MM DNA-DRUG COMPLEX, 25 DEGREES REMARK 210 C, IN BUFFER (100MM NACL, 10MM NA REMARK 210 BORATE), FINAL PH 6. REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 13C-1H HMQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : OMEGA REMARK 210 SPECTROMETER MANUFACTURER : GE REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 1.7, SPARKY 3.0, FELIX REMARK 210 2.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES AS WELL AS 2D 13C-1H HETERONUCLEAR REMARK 210 CORRELATION 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O1 2GL B 22 C6 CPH B 23 1.41 REMARK 500 O1 2GL A 32 C6 CPH A 33 1.42 REMARK 500 O1 DDA B 26 C2 CPH B 23 1.42 REMARK 500 O1 DDA B 36 C2 CPH A 33 1.45 REMARK 500 O2 DC A 6 H21 DG B 13 1.59 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 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT A 1 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DT A 2 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG A 3 C4' - C3' - C2' ANGL. DEV. = -9.9 DEGREES REMARK 500 DG A 4 P - O5' - C5' ANGL. DEV. = 18.1 DEGREES REMARK 500 DG A 4 N3 - C2 - N2 ANGL. DEV. = 5.3 DEGREES REMARK 500 DG A 3 C3' - O3' - P ANGL. DEV. = 17.6 DEGREES REMARK 500 DC A 5 C4' - C3' - C2' ANGL. DEV. = -4.7 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG A 4 C3' - O3' - P ANGL. DEV. = 9.6 DEGREES REMARK 500 DA A 7 P - O5' - C5' ANGL. DEV. = 11.0 DEGREES REMARK 500 DA A 7 C3' - O3' - P ANGL. DEV. = 16.1 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 11 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT B 12 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DG B 13 P - O5' - C5' ANGL. DEV. = 9.9 DEGREES REMARK 500 DG B 13 C4' - C3' - C2' ANGL. DEV. = -9.8 DEGREES REMARK 500 DG B 14 P - O5' - C5' ANGL. DEV. = 17.6 DEGREES REMARK 500 DG B 14 N3 - C2 - N2 ANGL. DEV. = 5.6 DEGREES REMARK 500 DG B 13 C3' - O3' - P ANGL. DEV. = 17.3 DEGREES REMARK 500 DC B 15 C4' - C3' - C2' ANGL. DEV. = -5.3 DEGREES REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG B 14 C3' - O3' - P ANGL. DEV. = 8.6 DEGREES REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA B 17 C3' - O3' - P ANGL. DEV. = 16.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DT A 2 0.10 SIDE CHAIN REMARK 500 DA A 7 0.08 SIDE CHAIN REMARK 500 DT B 12 0.10 SIDE CHAIN REMARK 500 DG B 14 0.06 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 2GL B 22 REMARK 610 DDA B 25 REMARK 610 DDA B 26 REMARK 610 2GL A 32 REMARK 610 DDA B 35 REMARK 610 DDA B 36 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 CO A 41 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CPH A 33 O9 REMARK 620 2 CPH B 23 O9 120.4 REMARK 620 3 CPH B 23 O1 127.9 98.9 REMARK 620 4 CPH A 33 O1 102.5 115.3 88.0 REMARK 620 5 CPH A 33 C9 35.6 155.1 97.9 83.5 REMARK 620 6 CPH B 23 C9 151.5 32.3 77.0 90.9 172.6 REMARK 620 7 CPH A 33 C1 85.3 138.1 86.6 22.9 61.2 112.8 REMARK 620 8 CPH B 23 C1 146.1 78.7 20.9 91.8 118.8 56.3 98.1 REMARK 620 N 1 2 3 4 5 6 7 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1GL B 21 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2GL B 22 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ERI B 24 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 25 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 26 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1GL A 31 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2GL A 32 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ERI B 34 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 35 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DDA B 36 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 41 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CPH B 23 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CPH A 33 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EKH RELATED DB: PDB REMARK 900 FAMILY OF 6 STRUCTURES REMARK 900 RELATED ID: 1D83 RELATED DB: PDB DBREF 1EKI A 1 8 PDB 1EKI 1EKI 1 8 DBREF 1EKI B 11 18 PDB 1EKI 1EKI 11 18 SEQRES 1 A 8 DT DT DG DG DC DC DA DA SEQRES 1 B 8 DT DT DG DG DC DC DA DA HET 1GL B 21 24 HET 2GL B 22 24 HET ERI B 24 29 HET DDA B 25 19 HET DDA B 26 19 HET 1GL A 31 24 HET 2GL A 32 24 HET ERI B 34 29 HET DDA B 35 19 HET DDA B 36 19 HET CO A 41 1 HET CPH B 23 49 HET CPH A 33 49 HETNAM 1GL 4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE HETNAM 2GL 4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE HETNAM ERI 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO- HETNAM 2 ERI HEXOPYRANOSE HETNAM DDA 2,6-DIDEOXY-BETA-D-GLUCOSE HETNAM CO COBALT (II) ION HETNAM CPH 1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO- HETNAM 2 CPH PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE HETSYN DDA 2,6-DIDEOXY-BETA-D-MANNOSE FORMUL 3 1GL 2(C7 H14 O4) FORMUL 3 2GL 2(C8 H14 O5) FORMUL 4 ERI 2(C9 H16 O5) FORMUL 4 DDA 4(C6 H12 O4) FORMUL 7 CO CO 2+ FORMUL 8 CPH 2(C21 H24 O7) LINK O5 1GL B 21 C3 2GL B 22 1555 1555 3.02 LINK O1 ERI B 24 C3 DDA B 25 1555 1555 2.97 LINK O5 DDA B 25 C3 DDA B 26 1555 1555 2.94 LINK O5 1GL A 31 C3 2GL A 32 1555 1555 3.04 LINK O1 ERI B 34 C3 DDA B 35 1555 1555 2.96 LINK O5 DDA B 35 C3 DDA B 36 1555 1555 3.03 LINK OGL ERI B 24 C3 DDA B 25 1555 1555 1.44 LINK OGL ERI B 34 C3 DDA B 35 1555 1555 1.45 LINK O1 1GL B 21 C3 2GL B 22 1555 1555 1.45 LINK O1 DDA B 25 C3 DDA B 26 1555 1555 1.45 LINK O1 1GL A 31 C3 2GL A 32 1555 1555 1.45 LINK O1 DDA B 35 C3 DDA B 36 1555 1555 1.45 LINK CO CO A 41 O9 CPH A 33 1555 1555 1.90 LINK CO CO A 41 O9 CPH B 23 1555 1555 1.91 LINK CO CO A 41 O1 CPH B 23 1555 1555 1.86 LINK CO CO A 41 O1 CPH A 33 1555 1555 1.93 LINK CO CO A 41 C9 CPH A 33 1555 1555 2.41 LINK CO CO A 41 C9 CPH B 23 1555 1555 2.57 LINK CO CO A 41 C1 CPH A 33 1555 1555 2.75 LINK CO CO A 41 C1 CPH B 23 1555 1555 2.77 SITE 1 AC1 2 DG B 14 2GL B 22 SITE 1 AC2 6 DG B 14 DC B 15 1GL B 21 CPH B 23 SITE 2 AC2 6 ERI B 34 DDA B 35 SITE 1 AC3 7 DG A 3 DG A 4 1GL A 31 2GL A 32 SITE 2 AC3 7 CPH A 33 DA B 17 DDA B 25 SITE 1 AC4 5 2GL A 32 CPH A 33 DA B 17 ERI B 24 SITE 2 AC4 5 DDA B 26 SITE 1 AC5 3 DC B 16 CPH B 23 DDA B 25 SITE 1 AC6 3 DG A 4 2GL A 32 ERI B 24 SITE 1 AC7 6 DG A 4 DC A 5 1GL A 31 CPH A 33 SITE 2 AC7 6 ERI B 24 DDA B 25 SITE 1 AC8 7 DA A 7 DA A 8 DG B 13 DG B 14 SITE 2 AC8 7 2GL B 22 CPH B 23 DDA B 35 SITE 1 AC9 4 2GL B 22 CPH B 23 ERI B 34 DDA B 36 SITE 1 BC1 3 CPH A 33 CPH B 23 DDA B 35 SITE 1 BC2 2 CPH A 33 CPH B 23 SITE 1 BC3 13 DC A 6 CPH A 33 CO A 41 DG B 13 SITE 2 BC3 13 DG B 14 DC B 15 DC B 16 DA B 17 SITE 3 BC3 13 2GL B 22 DDA B 26 ERI B 34 DDA B 35 SITE 4 BC3 13 DDA B 36 SITE 1 BC4 12 DG A 3 DG A 4 DC A 5 DC A 6 SITE 2 BC4 12 DA A 7 2GL A 32 CO A 41 DC B 16 SITE 3 BC4 12 CPH B 23 ERI B 24 DDA B 25 DDA B 36 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 ATOM 1 O5' DT A 1 -5.559 1.880 -20.708 1.00 1.70 O ATOM 2 C5' DT A 1 -5.611 0.747 -19.843 1.00 1.37 C ATOM 3 C4' DT A 1 -6.769 0.872 -18.864 1.00 1.03 C ATOM 4 O4' DT A 1 -6.787 -0.252 -17.934 1.00 1.01 O ATOM 5 C3' DT A 1 -6.567 2.056 -17.957 1.00 0.73 C ATOM 6 O3' DT A 1 -6.894 3.311 -18.576 1.00 0.74 O ATOM 7 C2' DT A 1 -7.553 1.701 -16.861 1.00 0.70 C ATOM 8 C1' DT A 1 -7.429 0.190 -16.736 1.00 0.82 C ATOM 9 N1 DT A 1 -6.672 -0.227 -15.552 1.00 0.76 N ATOM 10 C2 DT A 1 -7.368 -0.771 -14.447 1.00 0.77 C ATOM 11 O2 DT A 1 -8.587 -0.905 -14.372 1.00 0.86 O ATOM 12 N3 DT A 1 -6.560 -1.177 -13.405 1.00 0.72 N ATOM 13 C4 DT A 1 -5.179 -1.116 -13.343 1.00 0.65 C ATOM 14 O4 DT A 1 -4.586 -1.608 -12.381 1.00 0.62 O ATOM 15 C5 DT A 1 -4.557 -0.473 -14.495 1.00 0.66 C ATOM 16 C7 DT A 1 -3.107 -0.320 -14.586 1.00 0.65 C ATOM 17 C6 DT A 1 -5.324 -0.049 -15.505 1.00 0.72 C ATOM 18 H5' DT A 1 -4.653 0.668 -19.284 1.00 1.43 H ATOM 19 H5'' DT A 1 -5.737 -0.175 -20.452 1.00 2.03 H ATOM 20 H4' DT A 1 -7.751 0.930 -19.382 1.00 1.18 H ATOM 21 H3' DT A 1 -5.523 2.070 -17.570 1.00 0.81 H ATOM 22 H2' DT A 1 -7.336 2.249 -15.922 1.00 0.77 H ATOM 23 H2'' DT A 1 -8.575 1.954 -17.186 1.00 0.86 H ATOM 24 H1' DT A 1 -8.401 -0.298 -16.694 1.00 0.98 H ATOM 25 H3 DT A 1 -7.048 -1.527 -12.588 1.00 0.76 H ATOM 26 H71 DT A 1 -2.894 0.707 -14.958 1.00 1.31 H ATOM 27 H72 DT A 1 -2.744 -1.058 -15.333 1.00 0.95 H ATOM 28 H73 DT A 1 -2.637 -0.484 -13.599 1.00 1.05 H ATOM 29 H6 DT A 1 -4.937 0.501 -16.363 1.00 0.76 H ATOM 30 HO5' DT A 1 -5.938 2.618 -20.189 1.00 1.56 H ATOM 31 P DT A 2 -6.732 4.691 -17.768 1.00 0.72 P ATOM 32 OP1 DT A 2 -6.397 5.751 -18.739 1.00 0.86 O ATOM 33 OP2 DT A 2 -5.771 4.439 -16.668 1.00 0.78 O ATOM 34 O5' DT A 2 -8.207 4.918 -17.164 1.00 0.75 O ATOM 35 C5' DT A 2 -8.601 5.538 -15.908 1.00 0.85 C ATOM 36 C4' DT A 2 -9.786 4.840 -15.210 1.00 0.61 C ATOM 37 O4' DT A 2 -9.517 3.420 -14.938 1.00 0.47 O ATOM 38 C3' DT A 2 -10.017 5.456 -13.854 1.00 0.69 C ATOM 39 O3' DT A 2 -10.951 6.552 -13.879 1.00 0.99 O ATOM 40 C2' DT A 2 -10.570 4.311 -13.048 1.00 0.58 C ATOM 41 C1' DT A 2 -9.759 3.133 -13.563 1.00 0.43 C ATOM 42 N1 DT A 2 -8.480 2.878 -12.833 1.00 0.37 N ATOM 43 C2 DT A 2 -8.573 2.120 -11.638 1.00 0.36 C ATOM 44 O2 DT A 2 -9.625 1.777 -11.105 1.00 0.36 O ATOM 45 N3 DT A 2 -7.367 1.684 -11.117 1.00 0.36 N ATOM 46 C4 DT A 2 -6.107 1.876 -11.664 1.00 0.38 C ATOM 47 O4 DT A 2 -5.135 1.303 -11.167 1.00 0.38 O ATOM 48 C5 DT A 2 -6.075 2.695 -12.867 1.00 0.40 C ATOM 49 C7 DT A 2 -4.779 3.001 -13.529 1.00 0.45 C ATOM 50 C6 DT A 2 -7.230 3.164 -13.368 1.00 0.40 C ATOM 51 H5' DT A 2 -8.907 6.592 -16.100 1.00 1.16 H ATOM 52 H5'' DT A 2 -7.738 5.582 -15.209 1.00 1.73 H ATOM 53 H4' DT A 2 -10.710 4.916 -15.802 1.00 0.68 H ATOM 54 H3' DT A 2 -9.043 5.734 -13.441 1.00 1.28 H ATOM 55 H2' DT A 2 -10.487 4.470 -11.954 1.00 1.21 H ATOM 56 H2'' DT A 2 -11.626 4.205 -13.332 1.00 0.97 H ATOM 57 H1' DT A 2 -10.384 2.215 -13.546 1.00 0.64 H ATOM 58 H3 DT A 2 -7.426 1.165 -10.253 1.00 0.36 H ATOM 59 H71 DT A 2 -3.978 2.306 -13.204 1.00 0.77 H ATOM 60 H72 DT A 2 -4.481 4.044 -13.290 1.00 1.27 H ATOM 61 H73 DT A 2 -4.893 2.926 -14.635 1.00 0.91 H ATOM 62 H6 DT A 2 -7.218 3.785 -14.266 1.00 0.45 H ATOM 63 P DG A 3 -10.747 7.946 -13.121 1.00 1.60 P ATOM 64 OP1 DG A 3 -11.869 8.848 -13.458 1.00 2.10 O ATOM 65 OP2 DG A 3 -9.370 8.423 -13.361 1.00 1.94 O ATOM 66 O5' DG A 3 -10.869 7.480 -11.584 1.00 1.35 O ATOM 67 C5' DG A 3 -12.045 7.291 -10.752 1.00 0.35 C ATOM 68 C4' DG A 3 -11.684 6.751 -9.364 1.00 0.29 C ATOM 69 O4' DG A 3 -11.143 5.385 -9.413 1.00 0.38 O ATOM 70 C3' DG A 3 -10.685 7.567 -8.651 1.00 0.27 C ATOM 71 O3' DG A 3 -11.176 8.839 -8.158 1.00 0.63 O ATOM 72 C2' DG A 3 -10.543 6.548 -7.557 1.00 0.34 C ATOM 73 C1' DG A 3 -10.244 5.283 -8.327 1.00 0.28 C ATOM 74 N9 DG A 3 -8.871 5.132 -8.859 1.00 0.28 N ATOM 75 C8 DG A 3 -8.297 5.479 -10.048 1.00 0.36 C ATOM 76 N7 DG A 3 -7.042 5.056 -10.178 1.00 0.38 N ATOM 77 C5 DG A 3 -6.796 4.364 -9.000 1.00 0.29 C ATOM 78 C6 DG A 3 -5.646 3.654 -8.546 1.00 0.29 C ATOM 79 O6 DG A 3 -4.564 3.510 -9.130 1.00 0.35 O ATOM 80 N1 DG A 3 -5.869 3.060 -7.305 1.00 0.21 N ATOM 81 C2 DG A 3 -7.036 3.143 -6.587 1.00 0.17 C ATOM 82 N2 DG A 3 -7.077 2.481 -5.461 1.00 0.19 N ATOM 83 N3 DG A 3 -8.078 3.826 -6.989 1.00 0.19 N ATOM 84 C4 DG A 3 -7.919 4.403 -8.186 1.00 0.23 C ATOM 85 H5' DG A 3 -12.755 6.590 -11.244 1.00 0.98 H ATOM 86 H5'' DG A 3 -12.556 8.270 -10.617 1.00 0.95 H ATOM 87 H4' DG A 3 -12.390 6.781 -8.521 1.00 0.51 H ATOM 88 H3' DG A 3 -9.756 7.710 -9.246 1.00 0.46 H ATOM 89 H2' DG A 3 -9.762 7.006 -7.042 1.00 0.55 H ATOM 90 H2'' DG A 3 -11.448 6.411 -6.900 1.00 0.59 H ATOM 91 H1' DG A 3 -10.449 4.425 -7.632 1.00 0.25 H ATOM 92 H8 DG A 3 -8.906 6.030 -10.776 1.00 0.42 H ATOM 93 H1 DG A 3 -5.114 2.490 -6.959 1.00 0.22 H ATOM 94 H21 DG A 3 -6.232 2.040 -5.106 1.00 0.90 H ATOM 95 H22 DG A 3 -7.884 2.699 -4.889 1.00 0.77 H ATOM 96 P DG A 4 -11.698 9.441 -6.767 1.00 0.19 P ATOM 97 OP1 DG A 4 -12.885 8.697 -6.271 1.00 0.67 O ATOM 98 OP2 DG A 4 -11.857 10.905 -6.878 1.00 0.70 O ATOM 99 O5' DG A 4 -10.511 9.149 -5.727 1.00 0.43 O ATOM 100 C5' DG A 4 -9.218 9.697 -5.359 1.00 0.22 C ATOM 101 C4' DG A 4 -8.291 8.582 -4.897 1.00 0.18 C ATOM 102 O4' DG A 4 -7.758 7.809 -5.999 1.00 0.18 O ATOM 103 C3' DG A 4 -7.063 9.039 -4.177 1.00 0.17 C ATOM 104 O3' DG A 4 -7.340 9.456 -2.826 1.00 0.19 O ATOM 105 C2' DG A 4 -6.309 7.716 -4.165 1.00 0.15 C ATOM 106 C1' DG A 4 -6.729 7.001 -5.455 1.00 0.15 C ATOM 107 N9 DG A 4 -5.655 6.874 -6.462 1.00 0.17 N ATOM 108 C8 DG A 4 -5.468 7.545 -7.631 1.00 0.18 C ATOM 109 N7 DG A 4 -4.271 7.361 -8.176 1.00 0.18 N ATOM 110 C5 DG A 4 -3.670 6.436 -7.342 1.00 0.17 C ATOM 111 C6 DG A 4 -2.402 5.815 -7.415 1.00 0.19 C ATOM 112 O6 DG A 4 -1.549 5.975 -8.291 1.00 0.22 O ATOM 113 N1 DG A 4 -2.154 4.997 -6.310 1.00 0.19 N ATOM 114 C2 DG A 4 -3.031 4.755 -5.307 1.00 0.18 C ATOM 115 N2 DG A 4 -2.535 3.958 -4.397 1.00 0.20 N ATOM 116 N3 DG A 4 -4.235 5.287 -5.274 1.00 0.17 N ATOM 117 C4 DG A 4 -4.502 6.129 -6.281 1.00 0.17 C ATOM 118 H5' DG A 4 -9.345 10.295 -4.435 1.00 0.83 H ATOM 119 H5'' DG A 4 -8.801 10.377 -6.142 1.00 0.91 H ATOM 120 H4' DG A 4 -8.821 7.904 -4.215 1.00 0.19 H ATOM 121 H3' DG A 4 -6.580 9.824 -4.777 1.00 0.18 H ATOM 122 H2' DG A 4 -5.211 7.779 -3.979 1.00 0.18 H ATOM 123 H2'' DG A 4 -6.746 7.111 -3.331 1.00 0.15 H ATOM 124 H1' DG A 4 -7.142 6.004 -5.152 1.00 0.16 H ATOM 125 H8 DG A 4 -6.306 8.127 -8.024 1.00 0.19 H ATOM 126 H1 DG A 4 -1.254 4.544 -6.206 1.00 0.20 H ATOM 127 H21 DG A 4 -1.563 3.646 -4.416 1.00 0.19 H ATOM 128 H22 DG A 4 -3.191 3.731 -3.665 1.00 0.25 H ATOM 129 P DC A 5 -6.531 10.475 -1.892 1.00 0.21 P ATOM 130 OP1 DC A 5 -7.282 10.590 -0.620 1.00 0.23 O ATOM 131 OP2 DC A 5 -6.260 11.706 -2.666 1.00 0.25 O ATOM 132 O5' DC A 5 -5.162 9.680 -1.619 1.00 0.32 O ATOM 133 C5' DC A 5 -5.084 8.508 -0.770 1.00 0.22 C ATOM 134 C4' DC A 5 -3.786 7.736 -0.838 1.00 0.10 C ATOM 135 O4' DC A 5 -3.567 7.264 -2.179 1.00 0.29 O ATOM 136 C3' DC A 5 -2.552 8.549 -0.528 1.00 0.18 C ATOM 137 O3' DC A 5 -2.327 8.724 0.883 1.00 0.37 O ATOM 138 C2' DC A 5 -1.540 7.590 -1.082 1.00 0.16 C ATOM 139 C1' DC A 5 -2.225 6.892 -2.238 1.00 0.19 C ATOM 140 N1 DC A 5 -1.640 7.197 -3.549 1.00 0.14 N ATOM 141 C2 DC A 5 -0.450 6.517 -3.862 1.00 0.14 C ATOM 142 O2 DC A 5 0.028 5.655 -3.116 1.00 0.17 O ATOM 143 N3 DC A 5 0.182 6.802 -5.034 1.00 0.16 N ATOM 144 C4 DC A 5 -0.342 7.675 -5.887 1.00 0.18 C ATOM 145 N4 DC A 5 0.292 7.844 -7.041 1.00 0.24 N ATOM 146 C5 DC A 5 -1.544 8.378 -5.600 1.00 0.19 C ATOM 147 C6 DC A 5 -2.148 8.119 -4.435 1.00 0.17 C ATOM 148 H5' DC A 5 -5.821 7.763 -1.128 1.00 0.45 H ATOM 149 H5'' DC A 5 -5.296 8.775 0.290 1.00 1.16 H ATOM 150 H4' DC A 5 -3.814 6.797 -0.226 1.00 0.18 H ATOM 151 H3' DC A 5 -2.475 9.510 -1.088 1.00 0.31 H ATOM 152 H2' DC A 5 -0.642 8.146 -1.381 1.00 0.81 H ATOM 153 H2'' DC A 5 -1.292 6.830 -0.315 1.00 0.58 H ATOM 154 H1' DC A 5 -2.226 5.816 -2.036 1.00 0.28 H ATOM 155 H41 DC A 5 1.050 7.174 -7.157 1.00 0.26 H ATOM 156 H42 DC A 5 -0.260 8.214 -7.799 1.00 0.28 H ATOM 157 H5 DC A 5 -1.950 9.053 -6.342 1.00 0.27 H ATOM 158 H6 DC A 5 -3.111 8.565 -4.165 1.00 0.25 H ATOM 159 P DC A 6 -1.226 9.692 1.539 1.00 0.84 P ATOM 160 OP1 DC A 6 -1.490 9.747 2.999 1.00 1.51 O ATOM 161 OP2 DC A 6 -1.123 10.948 0.770 1.00 1.60 O ATOM 162 O5' DC A 6 0.114 8.842 1.299 1.00 0.92 O ATOM 163 C5' DC A 6 0.316 7.591 1.983 1.00 0.54 C ATOM 164 C4' DC A 6 1.649 6.866 1.757 1.00 0.35 C ATOM 165 O4' DC A 6 1.779 6.424 0.383 1.00 0.40 O ATOM 166 C3' DC A 6 2.881 7.728 2.083 1.00 0.39 C ATOM 167 O3' DC A 6 3.513 7.362 3.306 1.00 0.66 O ATOM 168 C2' DC A 6 3.792 7.623 0.910 1.00 0.67 C ATOM 169 C1' DC A 6 3.050 6.801 -0.130 1.00 0.46 C ATOM 170 N1 DC A 6 2.847 7.520 -1.409 1.00 0.43 N ATOM 171 C2 DC A 6 3.773 7.269 -2.425 1.00 0.46 C ATOM 172 O2 DC A 6 4.660 6.440 -2.259 1.00 0.56 O ATOM 173 N3 DC A 6 3.660 7.901 -3.630 1.00 0.40 N ATOM 174 C4 DC A 6 2.612 8.681 -3.863 1.00 0.34 C ATOM 175 N4 DC A 6 2.517 9.219 -5.082 1.00 0.33 N ATOM 176 C5 DC A 6 1.622 8.935 -2.855 1.00 0.31 C ATOM 177 C6 DC A 6 1.813 8.385 -1.651 1.00 0.33 C ATOM 178 H5' DC A 6 -0.505 6.897 1.692 1.00 1.02 H ATOM 179 H5'' DC A 6 0.246 7.777 3.072 1.00 1.25 H ATOM 180 H4' DC A 6 1.523 5.931 2.334 1.00 0.96 H ATOM 181 H3' DC A 6 2.393 8.730 2.120 1.00 0.65 H ATOM 182 H2' DC A 6 3.949 8.665 0.588 1.00 1.41 H ATOM 183 H2'' DC A 6 4.763 7.160 1.179 1.00 0.58 H ATOM 184 H1' DC A 6 3.625 5.860 -0.241 1.00 0.61 H ATOM 185 H41 DC A 6 3.274 8.975 -5.711 1.00 0.33 H ATOM 186 H42 DC A 6 1.662 9.668 -5.337 1.00 0.34 H ATOM 187 H5 DC A 6 0.726 9.511 -3.062 1.00 0.31 H ATOM 188 H6 DC A 6 1.153 8.522 -0.803 1.00 0.27 H ATOM 189 P DA A 7 4.139 8.492 4.233 1.00 0.65 P ATOM 190 OP1 DA A 7 3.298 8.571 5.450 1.00 1.08 O ATOM 191 OP2 DA A 7 4.376 9.717 3.436 1.00 1.34 O ATOM 192 O5' DA A 7 5.560 7.845 4.583 1.00 0.61 O ATOM 193 C5' DA A 7 6.306 6.759 3.975 1.00 0.29 C ATOM 194 C4' DA A 7 7.614 7.152 3.242 1.00 0.22 C ATOM 195 O4' DA A 7 7.348 7.507 1.836 1.00 0.20 O ATOM 196 C3' DA A 7 8.283 8.381 3.878 1.00 0.28 C ATOM 197 O3' DA A 7 9.678 8.144 4.187 1.00 0.56 O ATOM 198 C2' DA A 7 8.005 9.442 2.826 1.00 0.19 C ATOM 199 C1' DA A 7 8.063 8.689 1.532 1.00 0.17 C ATOM 200 N9 DA A 7 7.350 9.379 0.441 1.00 0.19 N ATOM 201 C8 DA A 7 6.165 10.035 0.568 1.00 0.29 C ATOM 202 N7 DA A 7 5.637 10.443 -0.580 1.00 0.30 N ATOM 203 C5 DA A 7 6.583 10.048 -1.518 1.00 0.21 C ATOM 204 C6 DA A 7 6.633 10.219 -2.925 1.00 0.20 C ATOM 205 N6 DA A 7 5.601 10.693 -3.641 1.00 0.26 N ATOM 206 N1 DA A 7 7.764 9.861 -3.554 1.00 0.21 N ATOM 207 C2 DA A 7 8.751 9.288 -2.866 1.00 0.22 C ATOM 208 N3 DA A 7 8.782 8.978 -1.566 1.00 0.19 N ATOM 209 C4 DA A 7 7.660 9.415 -0.930 1.00 0.16 C ATOM 210 H5' DA A 7 5.655 6.216 3.256 1.00 0.89 H ATOM 211 H5'' DA A 7 6.576 6.076 4.810 1.00 0.96 H ATOM 212 H4' DA A 7 8.295 6.272 3.176 1.00 0.22 H ATOM 213 H3' DA A 7 7.741 8.717 4.782 1.00 0.99 H ATOM 214 H2' DA A 7 6.945 9.645 3.004 1.00 0.24 H ATOM 215 H2'' DA A 7 8.564 10.397 2.818 1.00 0.22 H ATOM 216 H1' DA A 7 9.125 8.473 1.297 1.00 0.20 H ATOM 217 H8 DA A 7 5.820 10.211 1.602 1.00 0.35 H ATOM 218 H61 DA A 7 5.724 10.771 -4.638 1.00 0.74 H ATOM 219 H62 DA A 7 4.754 10.904 -3.168 1.00 1.02 H ATOM 220 H2 DA A 7 9.659 9.083 -3.448 1.00 0.28 H ATOM 221 P DA A 8 10.916 9.038 4.689 1.00 0.77 P ATOM 222 OP1 DA A 8 11.496 8.511 5.940 1.00 0.92 O ATOM 223 OP2 DA A 8 10.601 10.481 4.605 1.00 1.20 O ATOM 224 O5' DA A 8 11.929 8.786 3.477 1.00 0.95 O ATOM 225 C5' DA A 8 11.403 8.959 2.143 1.00 1.11 C ATOM 226 C4' DA A 8 12.344 9.596 1.208 1.00 0.95 C ATOM 227 O4' DA A 8 11.726 9.753 -0.102 1.00 1.00 O ATOM 228 C3' DA A 8 12.798 10.978 1.679 1.00 0.86 C ATOM 229 O3' DA A 8 11.869 11.726 2.471 1.00 1.34 O ATOM 230 C2' DA A 8 12.962 11.700 0.362 1.00 0.84 C ATOM 231 C1' DA A 8 12.050 11.017 -0.648 1.00 0.89 C ATOM 232 N9 DA A 8 10.779 11.711 -0.856 1.00 0.78 N ATOM 233 C8 DA A 8 9.823 11.932 0.066 1.00 0.70 C ATOM 234 N7 DA A 8 8.717 12.489 -0.397 1.00 0.70 N ATOM 235 C5 DA A 8 8.991 12.614 -1.753 1.00 0.74 C ATOM 236 C6 DA A 8 8.216 13.109 -2.830 1.00 0.82 C ATOM 237 N6 DA A 8 6.950 13.537 -2.697 1.00 0.80 N ATOM 238 N1 DA A 8 8.788 13.110 -4.046 1.00 1.04 N ATOM 239 C2 DA A 8 10.027 12.635 -4.202 1.00 1.19 C ATOM 240 N3 DA A 8 10.843 12.146 -3.277 1.00 1.12 N ATOM 241 C4 DA A 8 10.254 12.157 -2.060 1.00 0.86 C ATOM 242 H5' DA A 8 10.523 9.632 2.123 1.00 1.81 H ATOM 243 H5'' DA A 8 11.116 7.968 1.738 1.00 1.52 H ATOM 244 H4' DA A 8 13.112 8.848 1.064 1.00 1.41 H ATOM 245 H3' DA A 8 13.755 10.894 2.241 1.00 1.26 H ATOM 246 HO3' DA A 8 11.575 11.162 3.224 1.00 1.23 H ATOM 247 H2' DA A 8 12.807 12.791 0.447 1.00 0.81 H ATOM 248 H2'' DA A 8 13.966 11.502 0.024 1.00 0.94 H ATOM 249 H1' DA A 8 12.576 10.846 -1.616 1.00 1.06 H ATOM 250 H8 DA A 8 10.095 11.594 1.065 1.00 0.78 H ATOM 251 H61 DA A 8 6.445 13.707 -3.543 1.00 0.88 H ATOM 252 H62 DA A 8 6.503 13.398 -1.815 1.00 0.82 H ATOM 253 H2 DA A 8 10.428 12.650 -5.221 1.00 1.44 H TER 254 DA A 8 ATOM 255 O5' DT B 11 8.069 17.172 -13.752 1.00 2.47 O ATOM 256 C5' DT B 11 7.948 17.413 -12.351 1.00 2.00 C ATOM 257 C4' DT B 11 8.872 16.489 -11.570 1.00 1.27 C ATOM 258 O4' DT B 11 8.709 16.685 -10.133 1.00 1.11 O ATOM 259 C3' DT B 11 8.470 15.051 -11.760 1.00 0.82 C ATOM 260 O3' DT B 11 8.895 14.502 -13.018 1.00 0.92 O ATOM 261 C2' DT B 11 9.221 14.432 -10.596 1.00 1.02 C ATOM 262 C1' DT B 11 9.098 15.469 -9.491 1.00 1.07 C ATOM 263 N1 DT B 11 8.134 15.092 -8.454 1.00 1.03 N ATOM 264 C2 DT B 11 8.616 14.640 -7.204 1.00 0.95 C ATOM 265 O2 DT B 11 9.801 14.542 -6.893 1.00 0.99 O ATOM 266 N3 DT B 11 7.631 14.311 -6.295 1.00 0.90 N ATOM 267 C4 DT B 11 6.260 14.391 -6.477 1.00 0.93 C ATOM 268 O4 DT B 11 5.500 14.153 -5.538 1.00 0.87 O ATOM 269 C5 DT B 11 5.863 14.801 -7.820 1.00 1.08 C ATOM 270 C7 DT B 11 4.454 14.922 -8.190 1.00 1.24 C ATOM 271 C6 DT B 11 6.802 15.099 -8.723 1.00 1.12 C ATOM 272 H5' DT B 11 6.896 17.239 -12.036 1.00 2.78 H ATOM 273 H5'' DT B 11 8.215 18.469 -12.134 1.00 1.98 H ATOM 274 H4' DT B 11 9.940 16.643 -11.838 1.00 1.63 H ATOM 275 H3' DT B 11 7.369 14.938 -11.635 1.00 1.17 H ATOM 276 H2' DT B 11 8.818 13.434 -10.328 1.00 1.41 H ATOM 277 H2'' DT B 11 10.286 14.317 -10.864 1.00 1.40 H ATOM 278 H1' DT B 11 10.050 15.652 -8.999 1.00 1.60 H ATOM 279 H3 DT B 11 7.968 13.956 -5.406 1.00 0.88 H ATOM 280 H71 DT B 11 4.230 16.007 -8.270 1.00 1.62 H ATOM 281 H72 DT B 11 3.812 14.433 -7.435 1.00 1.20 H ATOM 282 H73 DT B 11 4.323 14.449 -9.187 1.00 1.84 H ATOM 283 H6 DT B 11 6.578 15.347 -9.762 1.00 1.24 H ATOM 284 HO5' DT B 11 8.321 16.230 -13.831 1.00 2.18 H ATOM 285 P DT B 12 8.590 12.968 -13.393 1.00 0.87 P ATOM 286 OP1 DT B 12 8.432 12.879 -14.857 1.00 1.17 O ATOM 287 OP2 DT B 12 7.450 12.533 -12.550 1.00 0.88 O ATOM 288 O5' DT B 12 9.936 12.223 -12.919 1.00 0.76 O ATOM 289 C5' DT B 12 10.117 10.891 -12.363 1.00 0.97 C ATOM 290 C4' DT B 12 11.176 10.825 -11.245 1.00 0.65 C ATOM 291 O4' DT B 12 10.839 11.692 -10.105 1.00 0.52 O ATOM 292 C3' DT B 12 11.231 9.431 -10.673 1.00 0.58 C ATOM 293 O3' DT B 12 12.202 8.593 -11.329 1.00 0.74 O ATOM 294 C2' DT B 12 11.620 9.665 -9.238 1.00 0.47 C ATOM 295 C1' DT B 12 10.874 10.945 -8.892 1.00 0.37 C ATOM 296 N1 DT B 12 9.498 10.752 -8.336 1.00 0.30 N ATOM 297 C2 DT B 12 9.406 10.488 -6.946 1.00 0.35 C ATOM 298 O2 DT B 12 10.365 10.278 -6.206 1.00 0.55 O ATOM 299 N3 DT B 12 8.133 10.575 -6.406 1.00 0.25 N ATOM 300 C4 DT B 12 6.970 10.935 -7.074 1.00 0.29 C ATOM 301 O4 DT B 12 5.930 11.107 -6.433 1.00 0.34 O ATOM 302 C5 DT B 12 7.125 11.161 -8.503 1.00 0.42 C ATOM 303 C7 DT B 12 5.943 11.526 -9.327 1.00 0.72 C ATOM 304 C6 DT B 12 8.344 11.037 -9.057 1.00 0.36 C ATOM 305 H5' DT B 12 10.448 10.200 -13.171 1.00 1.47 H ATOM 306 H5'' DT B 12 9.151 10.494 -11.980 1.00 1.81 H ATOM 307 H4' DT B 12 12.174 11.101 -11.615 1.00 0.77 H ATOM 308 H3' DT B 12 10.220 9.013 -10.699 1.00 1.03 H ATOM 309 H2' DT B 12 11.372 8.811 -8.575 1.00 1.03 H ATOM 310 H2'' DT B 12 12.705 9.838 -9.228 1.00 0.84 H ATOM 311 H1' DT B 12 11.484 11.543 -8.180 1.00 0.69 H ATOM 312 H3 DT B 12 8.055 10.383 -5.418 1.00 0.30 H ATOM 313 H71 DT B 12 5.525 10.612 -9.800 1.00 1.59 H ATOM 314 H72 DT B 12 6.244 12.226 -10.141 1.00 1.06 H ATOM 315 H73 DT B 12 5.158 12.014 -8.714 1.00 1.04 H ATOM 316 H6 DT B 12 8.472 11.193 -10.129 1.00 0.49 H ATOM 317 P DG B 13 11.978 7.072 -11.768 1.00 1.31 P ATOM 318 OP1 DG B 13 13.168 6.600 -12.509 1.00 1.80 O ATOM 319 OP2 DG B 13 10.657 6.949 -12.418 1.00 1.77 O ATOM 320 O5' DG B 13 11.910 6.345 -10.334 1.00 1.20 O ATOM 321 C5' DG B 13 12.970 5.900 -9.443 1.00 0.27 C ATOM 322 C4' DG B 13 12.420 5.416 -8.097 1.00 0.23 C ATOM 323 O4' DG B 13 11.822 6.502 -7.307 1.00 0.45 O ATOM 324 C3' DG B 13 11.382 4.378 -8.228 1.00 0.30 C ATOM 325 O3' DG B 13 11.876 3.073 -8.621 1.00 0.72 O ATOM 326 C2' DG B 13 11.047 4.441 -6.768 1.00 0.40 C ATOM 327 C1' DG B 13 10.783 5.911 -6.552 1.00 0.36 C ATOM 328 N9 DG B 13 9.488 6.442 -7.030 1.00 0.31 N ATOM 329 C8 DG B 13 9.091 6.965 -8.230 1.00 0.34 C ATOM 330 N7 DG B 13 7.851 7.446 -8.216 1.00 0.32 N ATOM 331 C5 DG B 13 7.424 7.246 -6.910 1.00 0.27 C ATOM 332 C6 DG B 13 6.196 7.576 -6.261 1.00 0.25 C ATOM 333 O6 DG B 13 5.205 8.132 -6.756 1.00 0.28 O ATOM 334 N1 DG B 13 6.222 7.227 -4.909 1.00 0.23 N ATOM 335 C2 DG B 13 7.286 6.635 -4.262 1.00 0.25 C ATOM 336 N2 DG B 13 7.153 6.411 -2.976 1.00 0.27 N ATOM 337 N3 DG B 13 8.402 6.311 -4.872 1.00 0.28 N ATOM 338 C4 DG B 13 8.427 6.634 -6.172 1.00 0.28 C ATOM 339 H5' DG B 13 13.699 6.722 -9.271 1.00 0.97 H ATOM 340 H5'' DG B 13 13.506 5.048 -9.920 1.00 0.85 H ATOM 341 H4' DG B 13 13.015 4.809 -7.399 1.00 0.43 H ATOM 342 H3' DG B 13 10.544 4.695 -8.888 1.00 0.61 H ATOM 343 H2' DG B 13 10.233 3.790 -6.793 1.00 0.65 H ATOM 344 H2'' DG B 13 11.850 4.073 -6.070 1.00 0.66 H ATOM 345 H1' DG B 13 10.851 6.092 -5.444 1.00 0.37 H ATOM 346 H8 DG B 13 9.811 6.977 -9.060 1.00 0.39 H ATOM 347 H1 DG B 13 5.378 7.475 -4.413 1.00 0.24 H ATOM 348 H21 DG B 13 6.216 6.502 -2.599 1.00 0.28 H ATOM 349 H22 DG B 13 7.879 5.832 -2.579 1.00 0.29 H ATOM 350 P DG B 14 12.217 1.683 -7.899 1.00 0.29 P ATOM 351 OP1 DG B 14 13.278 1.857 -6.874 1.00 0.57 O ATOM 352 OP2 DG B 14 12.467 0.642 -8.915 1.00 0.51 O ATOM 353 O5' DG B 14 10.873 1.296 -7.108 1.00 0.29 O ATOM 354 C5' DG B 14 9.550 0.775 -7.402 1.00 0.27 C ATOM 355 C4' DG B 14 8.522 1.388 -6.456 1.00 0.24 C ATOM 356 O4' DG B 14 8.090 2.715 -6.857 1.00 0.22 O ATOM 357 C3' DG B 14 7.235 0.631 -6.371 1.00 0.24 C ATOM 358 O3' DG B 14 7.349 -0.573 -5.589 1.00 0.26 O ATOM 359 C2' DG B 14 6.423 1.664 -5.603 1.00 0.21 C ATOM 360 C1' DG B 14 6.970 3.027 -6.040 1.00 0.22 C ATOM 361 N9 DG B 14 6.015 3.851 -6.817 1.00 0.23 N ATOM 362 C8 DG B 14 5.991 4.135 -8.149 1.00 0.25 C ATOM 363 N7 DG B 14 4.859 4.682 -8.572 1.00 0.26 N ATOM 364 C5 DG B 14 4.120 4.845 -7.412 1.00 0.23 C ATOM 365 C6 DG B 14 2.836 5.408 -7.204 1.00 0.23 C ATOM 366 O6 DG B 14 2.091 5.890 -8.064 1.00 0.26 O ATOM 367 N1 DG B 14 2.431 5.309 -5.871 1.00 0.20 N ATOM 368 C2 DG B 14 3.175 4.786 -4.866 1.00 0.20 C ATOM 369 N2 DG B 14 2.522 4.789 -3.727 1.00 0.20 N ATOM 370 N3 DG B 14 4.391 4.314 -5.050 1.00 0.21 N ATOM 371 C4 DG B 14 4.812 4.338 -6.323 1.00 0.22 C ATOM 372 H5' DG B 14 9.531 -0.299 -7.122 1.00 0.82 H ATOM 373 H5'' DG B 14 9.297 0.843 -8.487 1.00 0.95 H ATOM 374 H4' DG B 14 8.927 1.438 -5.437 1.00 0.25 H ATOM 375 H3' DG B 14 6.872 0.450 -7.394 1.00 0.25 H ATOM 376 H2' DG B 14 5.316 1.548 -5.653 1.00 0.21 H ATOM 377 H2'' DG B 14 6.713 1.559 -4.526 1.00 0.21 H ATOM 378 H1' DG B 14 7.312 3.549 -5.108 1.00 0.21 H ATOM 379 H8 DG B 14 6.899 3.927 -8.724 1.00 0.28 H ATOM 380 H1 DG B 14 1.505 5.616 -5.601 1.00 0.21 H ATOM 381 H21 DG B 14 1.557 5.105 -3.639 1.00 0.18 H ATOM 382 H22 DG B 14 3.101 4.491 -2.953 1.00 0.23 H ATOM 383 P DC B 15 6.475 -1.911 -5.693 1.00 0.33 P ATOM 384 OP1 DC B 15 7.028 -2.868 -4.707 1.00 0.40 O ATOM 385 OP2 DC B 15 6.412 -2.315 -7.115 1.00 0.38 O ATOM 386 O5' DC B 15 5.033 -1.420 -5.185 1.00 0.38 O ATOM 387 C5' DC B 15 4.778 -1.088 -3.798 1.00 0.25 C ATOM 388 C4' DC B 15 3.467 -0.387 -3.509 1.00 0.19 C ATOM 389 O4' DC B 15 3.441 0.890 -4.163 1.00 0.23 O ATOM 390 C3' DC B 15 2.257 -1.096 -4.071 1.00 0.31 C ATOM 391 O3' DC B 15 1.806 -2.239 -3.314 1.00 0.49 O ATOM 392 C2' DC B 15 1.291 0.033 -3.900 1.00 0.22 C ATOM 393 C1' DC B 15 2.106 1.297 -4.135 1.00 0.20 C ATOM 394 N1 DC B 15 1.723 1.968 -5.374 1.00 0.19 N ATOM 395 C2 DC B 15 0.521 2.691 -5.303 1.00 0.18 C ATOM 396 O2 DC B 15 -0.060 2.892 -4.229 1.00 0.19 O ATOM 397 N3 DC B 15 0.002 3.214 -6.444 1.00 0.17 N ATOM 398 C4 DC B 15 0.647 3.081 -7.598 1.00 0.20 C ATOM 399 N4 DC B 15 0.138 3.720 -8.639 1.00 0.22 N ATOM 400 C5 DC B 15 1.850 2.331 -7.710 1.00 0.22 C ATOM 401 C6 DC B 15 2.342 1.791 -6.590 1.00 0.20 C ATOM 402 H5' DC B 15 5.537 -0.352 -3.473 1.00 0.52 H ATOM 403 H5'' DC B 15 4.845 -1.998 -3.166 1.00 1.12 H ATOM 404 H4' DC B 15 3.335 -0.095 -2.429 1.00 0.23 H ATOM 405 H3' DC B 15 2.360 -1.328 -5.156 1.00 0.45 H ATOM 406 H2' DC B 15 0.467 -0.126 -4.616 1.00 0.85 H ATOM 407 H2'' DC B 15 0.947 0.044 -2.852 1.00 0.55 H ATOM 408 H1' DC B 15 2.036 1.987 -3.272 1.00 0.23 H ATOM 409 H41 DC B 15 -0.619 4.334 -8.353 1.00 0.22 H ATOM 410 H42 DC B 15 0.774 3.906 -9.398 1.00 0.26 H ATOM 411 H5 DC B 15 2.350 2.259 -8.667 1.00 0.27 H ATOM 412 H6 DC B 15 3.284 1.235 -6.565 1.00 0.23 H ATOM 413 P DC B 16 0.659 -3.251 -3.835 1.00 0.94 P ATOM 414 OP1 DC B 16 0.942 -4.620 -3.360 1.00 1.57 O ATOM 415 OP2 DC B 16 0.435 -3.034 -5.284 1.00 1.92 O ATOM 416 O5' DC B 16 -0.656 -2.692 -3.090 1.00 0.78 O ATOM 417 C5' DC B 16 -0.751 -2.113 -1.773 1.00 0.35 C ATOM 418 C4' DC B 16 -2.104 -1.578 -1.317 1.00 0.19 C ATOM 419 O4' DC B 16 -2.341 -0.269 -1.912 1.00 0.23 O ATOM 420 C3' DC B 16 -3.363 -2.462 -1.609 1.00 0.22 C ATOM 421 O3' DC B 16 -4.090 -2.684 -0.404 1.00 0.24 O ATOM 422 C2' DC B 16 -4.132 -1.707 -2.669 1.00 0.26 C ATOM 423 C1' DC B 16 -3.492 -0.316 -2.753 1.00 0.21 C ATOM 424 N1 DC B 16 -3.148 0.126 -4.139 1.00 0.19 N ATOM 425 C2 DC B 16 -4.078 0.958 -4.781 1.00 0.22 C ATOM 426 O2 DC B 16 -5.138 1.244 -4.225 1.00 0.38 O ATOM 427 N3 DC B 16 -3.828 1.421 -6.049 1.00 0.22 N ATOM 428 C4 DC B 16 -2.725 1.033 -6.692 1.00 0.22 C ATOM 429 N4 DC B 16 -2.508 1.515 -7.926 1.00 0.27 N ATOM 430 C5 DC B 16 -1.797 0.122 -6.097 1.00 0.24 C ATOM 431 C6 DC B 16 -2.048 -0.296 -4.849 1.00 0.22 C ATOM 432 H5' DC B 16 -0.020 -1.268 -1.668 1.00 0.48 H ATOM 433 H5'' DC B 16 -0.504 -2.873 -1.021 1.00 1.25 H ATOM 434 H4' DC B 16 -1.810 -1.458 -0.227 1.00 0.21 H ATOM 435 H3' DC B 16 -2.799 -3.350 -1.957 1.00 0.25 H ATOM 436 H2' DC B 16 -4.068 -2.260 -3.625 1.00 0.28 H ATOM 437 H2'' DC B 16 -5.201 -1.607 -2.389 1.00 0.31 H ATOM 438 H1' DC B 16 -4.197 0.387 -2.257 1.00 0.27 H ATOM 439 H41 DC B 16 -3.203 2.161 -8.283 1.00 0.27 H ATOM 440 H42 DC B 16 -1.673 1.236 -8.409 1.00 0.31 H ATOM 441 H5 DC B 16 -0.925 -0.224 -6.649 1.00 0.28 H ATOM 442 H6 DC B 16 -1.396 -0.982 -4.342 1.00 0.23 H ATOM 443 P DA B 17 -4.945 -3.971 -0.057 1.00 0.43 P ATOM 444 OP1 DA B 17 -5.200 -3.962 1.401 1.00 0.81 O ATOM 445 OP2 DA B 17 -4.280 -5.162 -0.622 1.00 0.93 O ATOM 446 O5' DA B 17 -6.293 -3.634 -0.869 1.00 0.26 O ATOM 447 C5' DA B 17 -7.134 -2.483 -0.576 1.00 0.42 C ATOM 448 C4' DA B 17 -8.265 -2.185 -1.593 1.00 0.27 C ATOM 449 O4' DA B 17 -7.761 -1.507 -2.800 1.00 0.41 O ATOM 450 C3' DA B 17 -8.904 -3.493 -2.068 1.00 0.29 C ATOM 451 O3' DA B 17 -10.336 -3.499 -1.873 1.00 0.34 O ATOM 452 C2' DA B 17 -8.418 -3.552 -3.510 1.00 0.30 C ATOM 453 C1' DA B 17 -8.366 -2.113 -3.928 1.00 0.30 C ATOM 454 N9 DA B 17 -7.486 -1.884 -5.092 1.00 0.26 N ATOM 455 C8 DA B 17 -6.281 -2.477 -5.281 1.00 0.29 C ATOM 456 N7 DA B 17 -5.603 -2.044 -6.332 1.00 0.28 N ATOM 457 C5 DA B 17 -6.473 -1.119 -6.900 1.00 0.24 C ATOM 458 C6 DA B 17 -6.367 -0.334 -8.077 1.00 0.26 C ATOM 459 N6 DA B 17 -5.243 -0.259 -8.809 1.00 0.29 N ATOM 460 N1 DA B 17 -7.446 0.375 -8.449 1.00 0.27 N ATOM 461 C2 DA B 17 -8.533 0.379 -7.677 1.00 0.25 C ATOM 462 N3 DA B 17 -8.723 -0.244 -6.509 1.00 0.24 N ATOM 463 C4 DA B 17 -7.648 -1.008 -6.180 1.00 0.23 C ATOM 464 H5' DA B 17 -6.480 -1.594 -0.503 1.00 0.48 H ATOM 465 H5'' DA B 17 -7.615 -2.648 0.414 1.00 1.38 H ATOM 466 H4' DA B 17 -8.994 -1.461 -1.161 1.00 0.24 H ATOM 467 H3' DA B 17 -8.449 -4.364 -1.560 1.00 0.33 H ATOM 468 H2' DA B 17 -7.380 -3.866 -3.371 1.00 0.31 H ATOM 469 H2'' DA B 17 -8.910 -4.215 -4.245 1.00 0.34 H ATOM 470 H1' DA B 17 -9.407 -1.759 -4.081 1.00 0.36 H ATOM 471 H8 DA B 17 -6.063 -3.312 -4.599 1.00 0.31 H ATOM 472 H61 DA B 17 -5.253 0.329 -9.628 1.00 0.80 H ATOM 473 H62 DA B 17 -4.449 -0.780 -8.520 1.00 0.97 H ATOM 474 H2 DA B 17 -9.381 0.949 -8.078 1.00 0.27 H ATOM 475 P DA B 18 -11.548 -4.468 -2.281 1.00 0.50 P ATOM 476 OP1 DA B 18 -12.322 -4.906 -1.103 1.00 0.74 O ATOM 477 OP2 DA B 18 -11.105 -5.487 -3.259 1.00 1.03 O ATOM 478 O5' DA B 18 -12.414 -3.440 -3.147 1.00 1.06 O ATOM 479 C5' DA B 18 -11.719 -2.676 -4.157 1.00 1.07 C ATOM 480 C4' DA B 18 -12.470 -2.535 -5.413 1.00 0.68 C ATOM 481 O4' DA B 18 -11.678 -1.810 -6.399 1.00 1.07 O ATOM 482 C3' DA B 18 -12.858 -3.882 -6.029 1.00 1.02 C ATOM 483 O3' DA B 18 -11.964 -4.977 -5.807 1.00 2.04 O ATOM 484 C2' DA B 18 -12.813 -3.552 -7.502 1.00 0.95 C ATOM 485 C1' DA B 18 -11.840 -2.393 -7.678 1.00 0.80 C ATOM 486 N9 DA B 18 -10.504 -2.803 -8.109 1.00 0.63 N ATOM 487 C8 DA B 18 -9.647 -3.583 -7.426 1.00 0.66 C ATOM 488 N7 DA B 18 -8.448 -3.713 -7.969 1.00 0.68 N ATOM 489 C5 DA B 18 -8.552 -2.920 -9.106 1.00 0.63 C ATOM 490 C6 DA B 18 -7.621 -2.603 -10.126 1.00 0.70 C ATOM 491 N6 DA B 18 -6.348 -3.031 -10.136 1.00 0.70 N ATOM 492 N1 DA B 18 -8.048 -1.803 -11.117 1.00 0.89 N ATOM 493 C2 DA B 18 -9.296 -1.325 -11.101 1.00 1.02 C ATOM 494 N3 DA B 18 -10.252 -1.551 -10.209 1.00 0.94 N ATOM 495 C4 DA B 18 -9.807 -2.359 -9.221 1.00 0.70 C ATOM 496 H5' DA B 18 -10.782 -3.168 -4.480 1.00 1.65 H ATOM 497 H5'' DA B 18 -11.485 -1.666 -3.759 1.00 1.85 H ATOM 498 H4' DA B 18 -13.272 -1.858 -5.148 1.00 1.45 H ATOM 499 H3' DA B 18 -13.875 -4.179 -5.687 1.00 1.61 H ATOM 500 HO3' DA B 18 -11.818 -5.070 -4.836 1.00 2.18 H ATOM 501 H2' DA B 18 -12.594 -4.430 -8.138 1.00 1.08 H ATOM 502 H2'' DA B 18 -13.783 -3.155 -7.758 1.00 1.36 H ATOM 503 H1' DA B 18 -12.259 -1.614 -8.357 1.00 1.38 H ATOM 504 H8 DA B 18 -10.065 -3.978 -6.503 1.00 0.81 H ATOM 505 H61 DA B 18 -5.751 -2.626 -10.829 1.00 0.75 H ATOM 506 H62 DA B 18 -6.009 -3.518 -9.335 1.00 0.76 H ATOM 507 H2 DA B 18 -9.577 -0.665 -11.931 1.00 1.27 H TER 508 DA B 18 HETATM 509 O1 1GL B 21 10.891 -1.204 -3.071 1.00 0.34 O HETATM 510 C1 1GL B 21 11.578 -2.415 -3.488 1.00 0.38 C HETATM 511 C2 1GL B 21 12.985 -1.953 -3.793 1.00 0.40 C HETATM 512 C3 1GL B 21 12.977 -0.960 -4.942 1.00 0.36 C HETATM 513 O3 1GL B 21 14.262 -0.379 -5.166 1.00 0.39 O HETATM 514 C4 1GL B 21 12.357 -1.641 -6.165 1.00 0.38 C HETATM 515 O4 1GL B 21 13.182 -2.799 -6.569 1.00 0.42 O HETATM 516 CME 1GL B 21 13.896 -2.447 -7.766 1.00 0.46 C HETATM 517 C5 1GL B 21 10.946 -2.117 -5.785 1.00 0.39 C HETATM 518 O5 1GL B 21 11.043 -3.063 -4.675 1.00 0.41 O HETATM 519 C6 1GL B 21 10.241 -2.755 -6.965 1.00 0.45 C HETATM 520 H1 1GL B 21 11.591 -3.159 -2.665 1.00 0.43 H HETATM 521 H21 1GL B 21 13.625 -2.821 -4.049 1.00 0.45 H HETATM 522 H22 1GL B 21 13.351 -1.495 -2.854 1.00 0.41 H HETATM 523 H3 1GL B 21 12.301 -0.110 -4.691 1.00 0.33 H HETATM 524 HO3 1GL B 21 14.087 0.336 -5.810 1.00 0.40 H HETATM 525 H4 1GL B 21 12.277 -0.946 -7.017 1.00 0.37 H HETATM 526 HM41 1GL B 21 14.565 -3.287 -8.043 1.00 0.97 H HETATM 527 HM42 1GL B 21 13.164 -2.252 -8.582 1.00 1.17 H HETATM 528 HM43 1GL B 21 14.494 -1.529 -7.579 1.00 0.82 H HETATM 529 H5 1GL B 21 10.335 -1.249 -5.446 1.00 0.36 H HETATM 530 H61 1GL B 21 10.259 -2.054 -7.829 1.00 1.14 H HETATM 531 H62 1GL B 21 10.732 -3.698 -7.264 1.00 0.82 H HETATM 532 H63 1GL B 21 9.176 -2.936 -6.705 1.00 0.64 H HETATM 533 O1 2GL B 22 7.216 1.145 -1.715 1.00 0.28 O HETATM 534 C1 2GL B 22 7.634 -0.211 -1.760 1.00 0.26 C HETATM 535 C2 2GL B 22 8.913 -0.131 -2.483 1.00 0.28 C HETATM 536 C3 2GL B 22 9.557 -1.483 -2.575 1.00 0.30 C HETATM 537 C4 2GL B 22 9.662 -2.084 -1.163 1.00 0.37 C HETATM 538 O4 2GL B 22 10.550 -1.299 -0.282 1.00 0.46 O HETATM 539 CME 2GL B 22 12.531 -0.367 0.217 1.00 0.92 C HETATM 540 CO4 2GL B 22 11.789 -1.650 -0.033 1.00 0.67 C HETATM 541 OC4 2GL B 22 12.302 -2.734 -0.246 1.00 0.95 O HETATM 542 C5 2GL B 22 8.222 -2.066 -0.611 1.00 0.43 C HETATM 543 O5 2GL B 22 7.937 -0.686 -0.444 1.00 0.29 O HETATM 544 C6 2GL B 22 8.122 -2.792 0.710 1.00 0.67 C HETATM 545 H1 2GL B 22 6.837 -0.894 -2.161 1.00 0.28 H HETATM 546 H21 2GL B 22 9.547 0.596 -1.937 1.00 0.31 H HETATM 547 H22 2GL B 22 8.648 0.290 -3.470 1.00 0.32 H HETATM 548 H3 2GL B 22 8.983 -2.125 -3.282 1.00 0.32 H HETATM 549 H4 2GL B 22 10.048 -3.109 -1.269 1.00 0.41 H HETATM 550 HM41 2GL B 22 13.580 -0.604 0.468 1.00 1.17 H HETATM 551 HM42 2GL B 22 12.048 0.196 1.044 1.00 1.39 H HETATM 552 HM43 2GL B 22 12.487 0.252 -0.704 1.00 1.57 H HETATM 553 H5 2GL B 22 7.529 -2.561 -1.337 1.00 1.33 H HETATM 554 H61 2GL B 22 8.919 -2.454 1.404 1.00 1.57 H HETATM 555 H62 2GL B 22 7.128 -2.600 1.169 1.00 1.13 H HETATM 556 H63 2GL B 22 8.235 -3.884 0.550 1.00 1.04 H HETATM 557 OGL ERI B 24 -9.482 1.700 -1.311 1.00 0.36 O HETATM 558 C1 ERI B 24 -9.171 1.649 -2.709 1.00 0.63 C HETATM 559 C2 ERI B 24 -10.370 0.978 -3.336 1.00 0.75 C HETATM 560 C3 ERI B 24 -11.640 1.828 -3.407 1.00 0.61 C HETATM 561 O3 ERI B 24 -12.557 1.151 -4.247 1.00 0.77 O HETATM 562 CC3 ERI B 24 -12.315 1.936 -2.050 1.00 0.74 C HETATM 563 C4 ERI B 24 -11.307 3.227 -3.960 1.00 0.38 C HETATM 564 O4 ERI B 24 -12.434 4.174 -3.886 1.00 0.44 O HETATM 565 CME ERI B 24 -13.652 5.810 -4.972 1.00 0.59 C HETATM 566 CO4 ERI B 24 -13.101 4.411 -5.030 1.00 0.56 C HETATM 567 OC4 ERI B 24 -13.041 3.750 -6.051 1.00 1.24 O HETATM 568 C5 ERI B 24 -10.128 3.814 -3.193 1.00 0.26 C HETATM 569 O1 ERI B 24 -9.017 2.917 -3.390 1.00 0.38 O HETATM 570 C6 ERI B 24 -9.708 5.129 -3.810 1.00 0.35 C HETATM 571 H1 ERI B 24 -8.199 1.108 -2.817 1.00 1.26 H HETATM 572 H21 ERI B 24 -10.046 0.703 -4.358 1.00 0.85 H HETATM 573 H22 ERI B 24 -10.578 0.047 -2.769 1.00 0.98 H HETATM 574 HO3 ERI B 24 -12.060 0.945 -5.044 1.00 0.73 H HETATM 575 H31 ERI B 24 -12.427 0.922 -1.614 1.00 0.96 H HETATM 576 H32 ERI B 24 -11.733 2.553 -1.334 1.00 1.09 H HETATM 577 H33 ERI B 24 -13.317 2.394 -2.152 1.00 1.15 H HETATM 578 H4 ERI B 24 -10.967 3.112 -5.014 1.00 0.50 H HETATM 579 H41 ERI B 24 -14.073 6.063 -5.964 1.00 1.36 H HETATM 580 H42 ERI B 24 -14.437 5.893 -4.195 1.00 1.21 H HETATM 581 H43 ERI B 24 -12.834 6.530 -4.752 1.00 1.11 H HETATM 582 H5 ERI B 24 -10.330 3.949 -2.108 1.00 0.32 H HETATM 583 H61 ERI B 24 -10.472 5.915 -3.645 1.00 0.75 H HETATM 584 H62 ERI B 24 -8.762 5.474 -3.343 1.00 1.10 H HETATM 585 H63 ERI B 24 -9.517 5.017 -4.897 1.00 0.68 H HETATM 586 C1 DDA B 25 -6.505 1.657 0.845 1.00 0.32 C HETATM 587 C2 DDA B 25 -7.345 1.352 -0.355 1.00 0.35 C HETATM 588 C3 DDA B 25 -8.462 2.355 -0.530 1.00 0.30 C HETATM 589 C4 DDA B 25 -9.176 2.668 0.785 1.00 0.28 C HETATM 590 C5 DDA B 25 -8.150 2.962 1.832 1.00 0.26 C HETATM 591 C6 DDA B 25 -8.700 3.235 3.180 1.00 0.33 C HETATM 592 O5 DDA B 25 -7.409 1.758 1.946 1.00 0.33 O HETATM 593 O1 DDA B 25 -5.714 0.492 1.040 1.00 0.44 O HETATM 594 O4 DDA B 25 -10.121 3.735 0.661 1.00 0.28 O HETATM 595 H1 DDA B 25 -5.885 2.567 0.747 1.00 0.25 H HETATM 596 H21 DDA B 25 -7.762 0.361 -0.162 1.00 0.43 H HETATM 597 H22 DDA B 25 -6.701 1.300 -1.268 1.00 0.38 H HETATM 598 H3 DDA B 25 -8.037 3.245 -1.024 1.00 0.28 H HETATM 599 H4 DDA B 25 -9.680 1.748 1.114 1.00 0.34 H HETATM 600 H5 DDA B 25 -7.520 3.795 1.510 1.00 0.19 H HETATM 601 H61 DDA B 25 -9.202 2.324 3.559 1.00 1.07 H HETATM 602 H62 DDA B 25 -7.850 3.522 3.835 1.00 1.15 H HETATM 603 H63 DDA B 25 -9.417 4.064 3.089 1.00 1.10 H HETATM 604 HO4 DDA B 25 -9.567 4.523 0.493 1.00 0.24 H HETATM 605 C1 DDA B 26 -2.497 -0.137 2.428 1.00 0.33 C HETATM 606 C2 DDA B 26 -3.719 -0.311 1.641 1.00 0.36 C HETATM 607 C3 DDA B 26 -4.643 0.751 1.977 1.00 0.34 C HETATM 608 C4 DDA B 26 -5.089 0.386 3.371 1.00 0.61 C HETATM 609 C5 DDA B 26 -3.951 -0.105 4.354 1.00 0.57 C HETATM 610 C6 DDA B 26 -4.208 -1.470 4.978 1.00 1.10 C HETATM 611 O5 DDA B 26 -2.657 -0.317 3.798 1.00 0.47 O HETATM 612 O1 DDA B 26 -1.634 -1.131 1.900 1.00 0.39 O HETATM 613 O4 DDA B 26 -5.795 1.451 4.024 1.00 1.03 O HETATM 614 H1 DDA B 26 -2.082 0.857 2.489 1.00 0.41 H HETATM 615 H21 DDA B 26 -4.164 -1.322 1.799 1.00 0.48 H HETATM 616 H22 DDA B 26 -3.472 -0.205 0.563 1.00 0.42 H HETATM 617 H3 DDA B 26 -4.226 1.776 1.878 1.00 0.28 H HETATM 618 H4 DDA B 26 -5.727 -0.533 3.294 1.00 1.41 H HETATM 619 H5 DDA B 26 -3.700 0.736 5.022 1.00 0.88 H HETATM 620 H61 DDA B 26 -4.212 -2.242 4.166 1.00 1.66 H HETATM 621 H62 DDA B 26 -3.337 -1.739 5.625 1.00 1.53 H HETATM 622 H63 DDA B 26 -5.134 -1.527 5.569 1.00 1.49 H HETATM 623 HO4 DDA B 26 -6.586 1.565 3.464 1.00 1.15 H HETATM 624 O1 1GL A 31 -11.148 8.298 -1.110 1.00 0.23 O HETATM 625 C1 1GL A 31 -11.903 9.472 -0.700 1.00 0.27 C HETATM 626 C2 1GL A 31 -13.201 9.360 -1.470 1.00 0.29 C HETATM 627 C3 1GL A 31 -12.938 9.410 -2.963 1.00 0.23 C HETATM 628 O3 1GL A 31 -14.121 9.163 -3.726 1.00 0.27 O HETATM 629 C4 1GL A 31 -12.227 10.729 -3.283 1.00 0.23 C HETATM 630 O4 1GL A 31 -13.105 11.868 -2.945 1.00 0.30 O HETATM 631 CME 1GL A 31 -13.597 12.430 -4.172 1.00 0.33 C HETATM 632 C5 1GL A 31 -10.941 10.801 -2.443 1.00 0.22 C HETATM 633 O5 1GL A 31 -11.291 10.751 -1.027 1.00 0.26 O HETATM 634 C6 1GL A 31 -10.147 12.052 -2.754 1.00 0.29 C HETATM 635 H1 1GL A 31 -12.106 9.455 0.389 1.00 0.33 H HETATM 636 H21 1GL A 31 -13.888 10.180 -1.181 1.00 0.33 H HETATM 637 H22 1GL A 31 -13.644 8.391 -1.169 1.00 0.34 H HETATM 638 H3 1GL A 31 -12.223 8.603 -3.243 1.00 0.21 H HETATM 639 HO3 1GL A 31 -13.800 9.072 -4.649 1.00 0.29 H HETATM 640 H4 1GL A 31 -11.954 10.792 -4.350 1.00 0.24 H HETATM 641 HM41 1GL A 31 -12.737 12.816 -4.763 1.00 1.15 H HETATM 642 HM42 1GL A 31 -14.301 13.252 -3.929 1.00 0.99 H HETATM 643 HM43 1GL A 31 -14.119 11.637 -4.752 1.00 0.95 H HETATM 644 H5 1GL A 31 -10.294 9.924 -2.667 1.00 0.18 H HETATM 645 H61 1GL A 31 -9.153 11.988 -2.259 1.00 1.04 H HETATM 646 H62 1GL A 31 -9.966 12.115 -3.850 1.00 0.86 H HETATM 647 H63 1GL A 31 -10.685 12.960 -2.433 1.00 1.01 H HETATM 648 O1 2GL A 32 -7.541 5.504 -1.145 1.00 0.27 O HETATM 649 C1 2GL A 32 -8.047 6.533 -0.285 1.00 0.19 C HETATM 650 C2 2GL A 32 -9.185 7.056 -1.064 1.00 0.22 C HETATM 651 C3 2GL A 32 -9.938 8.123 -0.327 1.00 0.19 C HETATM 652 C4 2GL A 32 -10.323 7.580 1.054 1.00 0.20 C HETATM 653 O4 2GL A 32 -11.290 6.467 0.966 1.00 0.28 O HETATM 654 CME 2GL A 32 -13.417 5.429 0.930 1.00 1.09 C HETATM 655 CO4 2GL A 32 -12.562 6.615 1.380 1.00 0.70 C HETATM 656 OC4 2GL A 32 -12.983 7.543 2.048 1.00 0.95 O HETATM 657 C5 2GL A 32 -9.007 7.107 1.705 1.00 0.23 C HETATM 658 O5 2GL A 32 -8.595 5.988 0.924 1.00 0.17 O HETATM 659 C6 2GL A 32 -9.249 6.691 3.139 1.00 0.39 C HETATM 660 H1 2GL A 32 -7.270 7.269 0.035 1.00 0.21 H HETATM 661 H21 2GL A 32 -9.839 6.189 -1.287 1.00 0.25 H HETATM 662 H22 2GL A 32 -8.742 7.427 -2.008 1.00 0.29 H HETATM 663 H3 2GL A 32 -9.335 9.060 -0.286 1.00 0.24 H HETATM 664 H4 2GL A 32 -10.762 8.424 1.611 1.00 0.28 H HETATM 665 HM41 2GL A 32 -13.263 5.891 -0.071 1.00 1.93 H HETATM 666 HM42 2GL A 32 -13.122 4.551 0.318 1.00 1.61 H HETATM 667 HM43 2GL A 32 -12.776 4.865 1.642 1.00 1.08 H HETATM 668 H5 2GL A 32 -8.264 7.944 1.689 1.00 0.27 H HETATM 669 H61 2GL A 32 -10.079 5.957 3.197 1.00 0.90 H HETATM 670 H62 2GL A 32 -8.331 6.240 3.573 1.00 1.12 H HETATM 671 H63 2GL A 32 -9.533 7.575 3.748 1.00 1.04 H HETATM 672 OGL ERI B 34 8.891 4.060 1.039 1.00 0.31 O HETATM 673 C1 ERI B 34 8.791 5.043 -0.009 1.00 0.31 C HETATM 674 C2 ERI B 34 10.026 5.904 0.137 1.00 0.38 C HETATM 675 C3 ERI B 34 11.337 5.269 -0.312 1.00 0.38 C HETATM 676 O3 ERI B 34 12.312 6.296 -0.345 1.00 0.47 O HETATM 677 CC3 ERI B 34 11.834 4.250 0.697 1.00 0.36 C HETATM 678 C4 ERI B 34 11.159 4.632 -1.702 1.00 0.33 C HETATM 679 O4 ERI B 34 12.325 3.841 -2.142 1.00 0.34 O HETATM 680 CME ERI B 34 13.768 3.284 -3.870 1.00 0.36 C HETATM 681 CO4 ERI B 34 13.117 4.392 -3.085 1.00 0.33 C HETATM 682 OC4 ERI B 34 13.125 5.559 -3.431 1.00 0.29 O HETATM 683 C5 ERI B 34 9.930 3.728 -1.697 1.00 0.25 C HETATM 684 O1 ERI B 34 8.790 4.562 -1.380 1.00 0.27 O HETATM 685 C6 ERI B 34 9.696 3.187 -3.095 1.00 0.25 C HETATM 686 H1 ERI B 34 7.829 5.587 0.142 1.00 0.32 H HETATM 687 H21 ERI B 34 9.833 6.807 -0.476 1.00 0.40 H HETATM 688 H22 ERI B 34 10.105 6.208 1.199 1.00 0.41 H HETATM 689 HO3 ERI B 34 11.861 7.062 -0.715 1.00 1.10 H HETATM 690 H31 ERI B 34 11.850 4.708 1.707 1.00 0.94 H HETATM 691 H32 ERI B 34 11.191 3.347 0.740 1.00 0.81 H HETATM 692 H33 ERI B 34 12.859 3.922 0.438 1.00 0.75 H HETATM 693 H4 ERI B 34 10.951 5.450 -2.428 1.00 0.39 H HETATM 694 H41 ERI B 34 12.994 2.596 -4.273 1.00 1.25 H HETATM 695 H42 ERI B 34 14.307 3.736 -4.726 1.00 1.13 H HETATM 696 H43 ERI B 34 14.475 2.718 -3.234 1.00 0.92 H HETATM 697 H5 ERI B 34 10.006 2.890 -0.970 1.00 0.22 H HETATM 698 H61 ERI B 34 9.629 4.014 -3.834 1.00 0.91 H HETATM 699 H62 ERI B 34 10.504 2.491 -3.400 1.00 0.89 H HETATM 700 H63 ERI B 34 8.739 2.628 -3.130 1.00 1.05 H HETATM 701 C1 DDA B 35 5.694 2.628 2.265 1.00 0.28 C HETATM 702 C2 DDA B 35 6.654 3.675 1.750 1.00 0.29 C HETATM 703 C3 DDA B 35 7.830 3.076 0.998 1.00 0.27 C HETATM 704 C4 DDA B 35 8.418 1.882 1.744 1.00 0.30 C HETATM 705 C5 DDA B 35 7.298 0.958 2.135 1.00 0.31 C HETATM 706 C6 DDA B 35 7.734 -0.239 2.885 1.00 0.39 C HETATM 707 O5 DDA B 35 6.468 1.697 3.018 1.00 0.35 O HETATM 708 O1 DDA B 35 4.866 3.290 3.218 1.00 0.34 O HETATM 709 O4 DDA B 35 9.418 1.198 0.981 1.00 0.29 O HETATM 710 H1 DDA B 35 5.114 2.109 1.477 1.00 0.22 H HETATM 711 H21 DDA B 35 7.027 4.170 2.651 1.00 0.34 H HETATM 712 H22 DDA B 35 6.130 4.431 1.116 1.00 0.29 H HETATM 713 H3 DDA B 35 7.550 2.822 -0.040 1.00 0.24 H HETATM 714 H4 DDA B 35 8.847 2.242 2.686 1.00 0.35 H HETATM 715 H5 DDA B 35 6.750 0.650 1.242 1.00 0.27 H HETATM 716 H61 DDA B 35 8.101 0.065 3.881 1.00 0.80 H HETATM 717 H62 DDA B 35 6.855 -0.912 2.972 1.00 1.06 H HETATM 718 H63 DDA B 35 8.537 -0.719 2.305 1.00 1.01 H HETATM 719 HO4 DDA B 35 8.922 0.726 0.286 1.00 0.25 H HETATM 720 C1 DDA B 36 1.420 3.125 4.161 1.00 0.42 C HETATM 721 C2 DDA B 36 2.747 3.702 3.863 1.00 0.43 C HETATM 722 C3 DDA B 36 3.602 2.602 3.368 1.00 0.24 C HETATM 723 C4 DDA B 36 3.693 1.511 4.465 1.00 0.60 C HETATM 724 C5 DDA B 36 2.287 1.125 4.992 1.00 0.68 C HETATM 725 C6 DDA B 36 2.353 0.307 6.260 1.00 1.18 C HETATM 726 O5 DDA B 36 1.580 2.335 5.338 1.00 0.65 O HETATM 727 O1 DDA B 36 0.636 4.277 4.430 1.00 0.57 O HETATM 728 O4 DDA B 36 4.314 0.324 3.962 1.00 1.56 O HETATM 729 H1 DDA B 36 1.055 2.488 3.329 1.00 0.38 H HETATM 730 H21 DDA B 36 3.171 4.192 4.775 1.00 0.69 H HETATM 731 H22 DDA B 36 2.682 4.478 3.067 1.00 0.77 H HETATM 732 H3 DDA B 36 3.249 2.205 2.389 1.00 0.48 H HETATM 733 H4 DDA B 36 4.281 1.921 5.318 1.00 0.99 H HETATM 734 H5 DDA B 36 1.718 0.576 4.210 1.00 1.28 H HETATM 735 H61 DDA B 36 2.852 0.901 7.057 1.00 1.53 H HETATM 736 H62 DDA B 36 2.914 -0.634 6.099 1.00 1.77 H HETATM 737 H63 DDA B 36 1.321 0.075 6.607 1.00 1.66 H HETATM 738 HO4 DDA B 36 5.201 0.635 3.703 1.00 1.76 H HETATM 739 CO CO A 41 -0.280 2.859 -0.046 1.00 0.14 CO HETATM 740 C1 CPH B 23 0.058 0.397 1.166 1.00 0.47 C HETATM 741 O1 CPH B 23 -0.652 1.382 1.027 1.00 0.72 O HETATM 742 C9A CPH B 23 1.479 0.484 0.752 1.00 0.44 C HETATM 743 C2 CPH B 23 -0.267 -0.774 2.081 1.00 0.30 C HETATM 744 C3 CPH B 23 0.502 -2.010 1.628 1.00 0.30 C HETATM 745 C4 CPH B 23 1.926 -1.749 1.928 1.00 0.36 C HETATM 746 C4A CPH B 23 2.289 -0.624 1.044 1.00 0.33 C HETATM 747 C10 CPH B 23 3.390 -0.841 0.297 1.00 0.32 C HETATM 748 C5A CPH B 23 3.975 0.281 -0.250 1.00 0.24 C HETATM 749 C5 CPH B 23 5.218 0.139 -0.703 1.00 0.31 C HETATM 750 C6 CPH B 23 5.861 1.222 -1.322 1.00 0.25 C HETATM 751 C7 CPH B 23 5.255 2.455 -1.521 1.00 0.23 C HETATM 752 CC7 CPH B 23 5.974 3.587 -2.224 1.00 0.28 C HETATM 753 C8 CPH B 23 3.950 2.587 -1.066 1.00 0.26 C HETATM 754 O8 CPH B 23 3.250 3.770 -1.256 1.00 0.45 O HETATM 755 C8A CPH B 23 3.279 1.517 -0.430 1.00 0.30 C HETATM 756 C9 CPH B 23 1.922 1.534 -0.099 1.00 0.58 C HETATM 757 O9 CPH B 23 1.133 2.114 -1.096 1.00 1.08 O HETATM 758 C1' CPH B 23 0.179 -3.383 2.185 1.00 0.57 C HETATM 759 O1' CPH B 23 0.199 -4.402 1.166 1.00 1.43 O HETATM 760 CME CPH B 23 -1.138 -4.757 0.818 1.00 2.48 C HETATM 761 C2' CPH B 23 -0.850 -3.498 3.282 1.00 1.32 C HETATM 762 O2' CPH B 23 -1.137 -2.587 4.043 1.00 2.18 O HETATM 763 C3' CPH B 23 -0.421 -4.721 4.006 1.00 1.88 C HETATM 764 O3' CPH B 23 -0.091 -5.982 3.361 1.00 2.46 O HETATM 765 C4' CPH B 23 0.527 -4.292 5.109 1.00 2.45 C HETATM 766 O4' CPH B 23 1.565 -5.232 5.345 1.00 3.05 O HETATM 767 C5' CPH B 23 -0.339 -4.253 6.356 1.00 3.17 C HETATM 768 H2 CPH B 23 -0.097 -0.533 3.151 1.00 0.44 H HETATM 769 H3 CPH B 23 0.383 -2.112 0.533 1.00 0.37 H HETATM 770 H41 CPH B 23 2.067 -1.477 3.001 1.00 0.73 H HETATM 771 H42 CPH B 23 2.520 -2.673 1.730 1.00 1.11 H HETATM 772 H102 CPH B 23 3.742 -1.870 0.196 1.00 0.45 H HETATM 773 H5 CPH B 23 5.628 -0.841 -0.539 1.00 0.44 H HETATM 774 H71 CPH B 23 5.280 4.180 -2.840 1.00 0.93 H HETATM 775 H72 CPH B 23 6.784 3.229 -2.898 1.00 1.09 H HETATM 776 H73 CPH B 23 6.408 4.272 -1.472 1.00 1.00 H HETATM 777 HO8 CPH B 23 2.344 3.441 -1.208 1.00 0.95 H HETATM 778 H1' CPH B 23 0.998 -3.693 2.828 1.00 1.55 H HETATM 779 H11 CPH B 23 -1.798 -3.875 0.957 1.00 2.94 H HETATM 780 H12 CPH B 23 -1.102 -5.094 -0.234 1.00 2.97 H HETATM 781 H13 CPH B 23 -1.468 -5.591 1.475 1.00 3.01 H HETATM 782 H3' CPH B 23 -1.441 -4.688 4.295 1.00 2.29 H HETATM 783 HO3 CPH B 23 0.010 -5.790 2.409 1.00 2.70 H HETATM 784 H4' CPH B 23 0.989 -3.321 4.763 1.00 2.51 H HETATM 785 HO4 CPH B 23 1.265 -6.004 4.837 1.00 3.18 H HETATM 786 H51 CPH B 23 -0.787 -5.261 6.488 1.00 3.35 H HETATM 787 H52 CPH B 23 0.275 -3.979 7.230 1.00 3.59 H HETATM 788 H53 CPH B 23 -1.167 -3.524 6.219 1.00 3.60 H HETATM 789 C1 CPH A 33 -0.556 4.380 2.233 1.00 0.42 C HETATM 790 O1 CPH A 33 0.282 3.791 1.549 1.00 0.73 O HETATM 791 C9A CPH A 33 -1.948 4.505 1.631 1.00 0.46 C HETATM 792 C2 CPH A 33 -0.666 4.257 3.803 1.00 0.23 C HETATM 793 C3 CPH A 33 -1.376 5.492 4.399 1.00 0.33 C HETATM 794 C4 CPH A 33 -2.719 5.534 3.892 1.00 0.38 C HETATM 795 C4A CPH A 33 -2.887 5.094 2.491 1.00 0.36 C HETATM 796 C10 CPH A 33 -4.180 5.248 2.141 1.00 0.31 C HETATM 797 C5A CPH A 33 -4.573 4.853 0.902 1.00 0.24 C HETATM 798 C5 CPH A 33 -5.804 5.268 0.551 1.00 0.25 C HETATM 799 C6 CPH A 33 -6.259 5.050 -0.741 1.00 0.24 C HETATM 800 C7 CPH A 33 -5.540 4.279 -1.651 1.00 0.25 C HETATM 801 CC7 CPH A 33 -6.120 3.958 -2.998 1.00 0.33 C HETATM 802 C8 CPH A 33 -4.286 3.808 -1.263 1.00 0.27 C HETATM 803 O8 CPH A 33 -3.577 2.934 -2.085 1.00 0.44 O HETATM 804 C8A CPH A 33 -3.713 4.189 -0.025 1.00 0.33 C HETATM 805 C9 CPH A 33 -2.340 4.054 0.311 1.00 0.60 C HETATM 806 O9 CPH A 33 -1.514 4.081 -0.822 1.00 1.03 O HETATM 807 C1' CPH A 33 -1.601 5.579 5.944 1.00 0.50 C HETATM 808 O1' CPH A 33 -2.517 4.590 6.491 1.00 0.66 O HETATM 809 CME CPH A 33 -1.821 3.514 7.117 1.00 0.78 C HETATM 810 C2' CPH A 33 -0.775 6.341 7.011 1.00 0.95 C HETATM 811 O2' CPH A 33 -0.847 6.125 8.218 1.00 1.82 O HETATM 812 C3' CPH A 33 0.108 7.437 6.409 1.00 0.86 C HETATM 813 O3' CPH A 33 0.987 7.047 5.340 1.00 1.83 O HETATM 814 C4' CPH A 33 -0.891 8.530 6.078 1.00 1.44 C HETATM 815 O4' CPH A 33 -0.327 9.613 5.352 1.00 2.16 O HETATM 816 C5' CPH A 33 -1.240 9.101 7.411 1.00 1.95 C HETATM 817 H2 CPH A 33 -1.237 3.361 4.112 1.00 0.27 H HETATM 818 H3 CPH A 33 -0.874 6.406 4.035 1.00 0.47 H HETATM 819 H41 CPH A 33 -3.269 4.785 4.481 1.00 1.09 H HETATM 820 H42 CPH A 33 -3.002 6.572 4.165 1.00 0.81 H HETATM 821 H102 CPH A 33 -4.846 5.741 2.838 1.00 0.40 H HETATM 822 H5 CPH A 33 -6.336 5.821 1.303 1.00 0.32 H HETATM 823 H71 CPH A 33 -6.714 3.032 -2.911 1.00 1.16 H HETATM 824 H72 CPH A 33 -6.769 4.774 -3.387 1.00 1.19 H HETATM 825 H73 CPH A 33 -5.338 3.760 -3.749 1.00 0.82 H HETATM 826 HO8 CPH A 33 -2.671 3.090 -1.788 1.00 1.13 H HETATM 827 H1' CPH A 33 -0.621 5.286 5.941 1.00 0.81 H HETATM 828 H11 CPH A 33 -0.735 3.544 6.908 1.00 1.61 H HETATM 829 H12 CPH A 33 -2.302 2.574 6.781 1.00 1.50 H HETATM 830 H13 CPH A 33 -2.008 3.661 8.208 1.00 0.59 H HETATM 831 H3' CPH A 33 0.789 7.609 7.223 1.00 1.43 H HETATM 832 HO3 CPH A 33 1.718 7.716 5.320 1.00 2.10 H HETATM 833 H4' CPH A 33 -1.790 8.043 5.592 1.00 2.16 H HETATM 834 HO4 CPH A 33 -0.715 9.635 4.443 1.00 2.40 H HETATM 835 H51 CPH A 33 -0.272 9.353 7.901 1.00 2.69 H HETATM 836 H52 CPH A 33 -1.802 8.356 8.009 1.00 2.13 H HETATM 837 H53 CPH A 33 -1.842 10.000 7.221 1.00 2.28 H CONECT 509 510 536 CONECT 510 509 511 518 520 CONECT 511 510 512 521 522 CONECT 512 511 513 514 523 CONECT 513 512 524 CONECT 514 512 515 517 525 CONECT 515 514 516 CONECT 516 515 526 527 528 CONECT 517 514 518 519 529 CONECT 518 510 517 536 CONECT 519 517 530 531 532 CONECT 520 510 CONECT 521 511 CONECT 522 511 CONECT 523 512 CONECT 524 513 CONECT 525 514 CONECT 526 516 CONECT 527 516 CONECT 528 516 CONECT 529 517 CONECT 530 519 CONECT 531 519 CONECT 532 519 CONECT 533 534 CONECT 534 533 535 543 545 CONECT 535 534 536 546 547 CONECT 536 509 518 535 537 CONECT 536 548 CONECT 537 536 538 542 549 CONECT 538 537 540 CONECT 539 540 550 551 552 CONECT 540 538 539 541 CONECT 541 540 CONECT 542 537 543 544 553 CONECT 543 534 542 CONECT 544 542 554 555 556 CONECT 545 534 CONECT 546 535 CONECT 547 535 CONECT 548 536 CONECT 549 537 CONECT 550 539 CONECT 551 539 CONECT 552 539 CONECT 553 542 CONECT 554 544 CONECT 555 544 CONECT 556 544 CONECT 557 558 588 CONECT 558 557 559 569 571 CONECT 559 558 560 572 573 CONECT 560 559 561 562 563 CONECT 561 560 574 CONECT 562 560 575 576 577 CONECT 563 560 564 568 578 CONECT 564 563 566 CONECT 565 566 579 580 581 CONECT 566 564 565 567 CONECT 567 566 CONECT 568 563 569 570 582 CONECT 569 558 568 588 CONECT 570 568 583 584 585 CONECT 571 558 CONECT 572 559 CONECT 573 559 CONECT 574 561 CONECT 575 562 CONECT 576 562 CONECT 577 562 CONECT 578 563 CONECT 579 565 CONECT 580 565 CONECT 581 565 CONECT 582 568 CONECT 583 570 CONECT 584 570 CONECT 585 570 CONECT 586 587 592 593 595 CONECT 587 586 588 596 597 CONECT 588 557 569 587 589 CONECT 588 598 CONECT 589 588 590 594 599 CONECT 590 589 591 592 600 CONECT 591 590 601 602 603 CONECT 592 586 590 607 CONECT 593 586 607 CONECT 594 589 604 CONECT 595 586 CONECT 596 587 CONECT 597 587 CONECT 598 588 CONECT 599 589 CONECT 600 590 CONECT 601 591 CONECT 602 591 CONECT 603 591 CONECT 604 594 CONECT 605 606 611 612 614 CONECT 606 605 607 615 616 CONECT 607 592 593 606 608 CONECT 607 617 CONECT 608 607 609 613 618 CONECT 609 608 610 611 619 CONECT 610 609 620 621 622 CONECT 611 605 609 CONECT 612 605 CONECT 613 608 623 CONECT 614 605 CONECT 615 606 CONECT 616 606 CONECT 617 607 CONECT 618 608 CONECT 619 609 CONECT 620 610 CONECT 621 610 CONECT 622 610 CONECT 623 613 CONECT 624 625 651 CONECT 625 624 626 633 635 CONECT 626 625 627 636 637 CONECT 627 626 628 629 638 CONECT 628 627 639 CONECT 629 627 630 632 640 CONECT 630 629 631 CONECT 631 630 641 642 643 CONECT 632 629 633 634 644 CONECT 633 625 632 651 CONECT 634 632 645 646 647 CONECT 635 625 CONECT 636 626 CONECT 637 626 CONECT 638 627 CONECT 639 628 CONECT 640 629 CONECT 641 631 CONECT 642 631 CONECT 643 631 CONECT 644 632 CONECT 645 634 CONECT 646 634 CONECT 647 634 CONECT 648 649 CONECT 649 648 650 658 660 CONECT 650 649 651 661 662 CONECT 651 624 633 650 652 CONECT 651 663 CONECT 652 651 653 657 664 CONECT 653 652 655 CONECT 654 655 665 666 667 CONECT 655 653 654 656 CONECT 656 655 CONECT 657 652 658 659 668 CONECT 658 649 657 CONECT 659 657 669 670 671 CONECT 660 649 CONECT 661 650 CONECT 662 650 CONECT 663 651 CONECT 664 652 CONECT 665 654 CONECT 666 654 CONECT 667 654 CONECT 668 657 CONECT 669 659 CONECT 670 659 CONECT 671 659 CONECT 672 673 703 CONECT 673 672 674 684 686 CONECT 674 673 675 687 688 CONECT 675 674 676 677 678 CONECT 676 675 689 CONECT 677 675 690 691 692 CONECT 678 675 679 683 693 CONECT 679 678 681 CONECT 680 681 694 695 696 CONECT 681 679 680 682 CONECT 682 681 CONECT 683 678 684 685 697 CONECT 684 673 683 703 CONECT 685 683 698 699 700 CONECT 686 673 CONECT 687 674 CONECT 688 674 CONECT 689 676 CONECT 690 677 CONECT 691 677 CONECT 692 677 CONECT 693 678 CONECT 694 680 CONECT 695 680 CONECT 696 680 CONECT 697 683 CONECT 698 685 CONECT 699 685 CONECT 700 685 CONECT 701 702 707 708 710 CONECT 702 701 703 711 712 CONECT 703 672 684 702 704 CONECT 703 713 CONECT 704 703 705 709 714 CONECT 705 704 706 707 715 CONECT 706 705 716 717 718 CONECT 707 701 705 722 CONECT 708 701 722 CONECT 709 704 719 CONECT 710 701 CONECT 711 702 CONECT 712 702 CONECT 713 703 CONECT 714 704 CONECT 715 705 CONECT 716 706 CONECT 717 706 CONECT 718 706 CONECT 719 709 CONECT 720 721 726 727 729 CONECT 721 720 722 730 731 CONECT 722 707 708 721 723 CONECT 722 732 CONECT 723 722 724 728 733 CONECT 724 723 725 726 734 CONECT 725 724 735 736 737 CONECT 726 720 724 CONECT 727 720 CONECT 728 723 738 CONECT 729 720 CONECT 730 721 CONECT 731 721 CONECT 732 722 CONECT 733 723 CONECT 734 724 CONECT 735 725 CONECT 736 725 CONECT 737 725 CONECT 738 728 CONECT 739 740 741 756 757 CONECT 739 789 790 805 806 CONECT 740 739 741 742 743 CONECT 741 739 740 CONECT 742 740 746 756 CONECT 743 740 744 768 CONECT 744 743 745 758 769 CONECT 745 744 746 770 771 CONECT 746 742 745 747 CONECT 747 746 748 772 CONECT 748 747 749 755 CONECT 749 748 750 773 CONECT 750 749 751 CONECT 751 750 752 753 CONECT 752 751 774 775 776 CONECT 753 751 754 755 CONECT 754 753 777 CONECT 755 748 753 756 CONECT 756 739 742 755 757 CONECT 757 739 756 CONECT 758 744 759 761 778 CONECT 759 758 760 CONECT 760 759 779 780 781 CONECT 761 758 762 763 CONECT 762 761 CONECT 763 761 764 765 782 CONECT 764 763 783 CONECT 765 763 766 767 784 CONECT 766 765 785 CONECT 767 765 786 787 788 CONECT 768 743 CONECT 769 744 CONECT 770 745 CONECT 771 745 CONECT 772 747 CONECT 773 749 CONECT 774 752 CONECT 775 752 CONECT 776 752 CONECT 777 754 CONECT 778 758 CONECT 779 760 CONECT 780 760 CONECT 781 760 CONECT 782 763 CONECT 783 764 CONECT 784 765 CONECT 785 766 CONECT 786 767 CONECT 787 767 CONECT 788 767 CONECT 789 739 790 791 792 CONECT 790 739 789 CONECT 791 789 795 805 CONECT 792 789 793 817 CONECT 793 792 794 807 818 CONECT 794 793 795 819 820 CONECT 795 791 794 796 CONECT 796 795 797 821 CONECT 797 796 798 804 CONECT 798 797 799 822 CONECT 799 798 800 CONECT 800 799 801 802 CONECT 801 800 823 824 825 CONECT 802 800 803 804 CONECT 803 802 826 CONECT 804 797 802 805 CONECT 805 739 791 804 806 CONECT 806 739 805 CONECT 807 793 808 810 827 CONECT 808 807 809 CONECT 809 808 828 829 830 CONECT 810 807 811 812 CONECT 811 810 CONECT 812 810 813 814 831 CONECT 813 812 832 CONECT 814 812 815 816 833 CONECT 815 814 834 CONECT 816 814 835 836 837 CONECT 817 792 CONECT 818 793 CONECT 819 794 CONECT 820 794 CONECT 821 796 CONECT 822 798 CONECT 823 801 CONECT 824 801 CONECT 825 801 CONECT 826 803 CONECT 827 807 CONECT 828 809 CONECT 829 809 CONECT 830 809 CONECT 831 812 CONECT 832 813 CONECT 833 814 CONECT 834 815 CONECT 835 816 CONECT 836 816 CONECT 837 816 MASTER 241 0 13 0 0 0 23 6 489 2 336 2 END