HEADER DNA/ANTIBIOTIC 10-AUG-96 1DSD TITLE NMR STUDY OF DNA (5'-D(*GP*AP*TP*GP*CP*TP*TP*C)-3') T:T MISMATCHED TITLE 2 DUPLEX COMPLEXED WITH ACTINOMYCIN D, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*AP*TP*GP*CP*TP*TP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ACTINOMYCIN D; COMPND 7 CHAIN: C; COMPND 8 SYNONYM: DACTINOMYCIN SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; SOURCE 5 ORGANISM_TAXID: 1890 KEYWDS ACTINOMYCIN D, ACTINOMYCIN, ANTIBIOTIC, ANTI CANCER, ANTITUMOR, KEYWDS 2 CHROMOPHORE, DEPSIPEPTIDE, T:T MISMATCH, DNA-ANTIBIOTIC COMPLEX EXPDTA SOLUTION NMR AUTHOR C.LIAN,H.ROBINSON,A.H.-J.WANG REVDAT 4 27-JUL-11 1DSD 1 ATOM REMARK REVDAT 3 13-JUL-11 1DSD 1 VERSN REVDAT 2 24-FEB-09 1DSD 1 VERSN REVDAT 1 07-DEC-96 1DSD 0 JRNL AUTH C.LIAN,H.ROBINSON,A.H.-J.WANG JRNL TITL STRUCTURE OF ACTINOMYCIN D BOUND WITH (GAAGCTTC)2 AND JRNL TITL 2 (GATGCTTC)2 AND ITS BINDING TO THE (CAG)N:(CTG)N TRIPLET JRNL TITL 3 SEQUENCE BY NMR ANALYSIS JRNL REF J.AM.CHEM.SOC. V. 118 8791 1996 JRNL REFN ISSN 0002-7863 JRNL DOI 10.1021/JA961631P REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DSD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 275 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : VXR 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR, SPEDREF REMARK 210 METHOD USED : NOE-RMD REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1260 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 4220 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -3.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 400 REMARK 400 COMPOUND REMARK 400 ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE REMARK 400 ACTINOMYCIN FAMILY. REMARK 400 HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES) REMARK 400 REMARK 400 GROUP: 1 REMARK 400 NAME: ACTINOMYCIN D REMARK 400 CHAIN: C REMARK 400 COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11 REMARK 400 DESCRIPTION: ACTINOMYCIN D CONSISTS OF TWO PENTAMER REMARK 400 RINGS LINKED BY THE CHROMOPHORE (PXZ) 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 HA PRO C 9 HA3 SAR C 10 1.56 REMARK 500 H4' DG B 12 O MVA C 11 1.57 REMARK 500 REMARK 500 REMARK: NULL 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 DG A 1 C5' DG A 1 C4' 0.046 REMARK 500 DC A 5 N1 DC A 5 C6 -0.043 REMARK 500 DG B 9 C5' DG B 9 C4' 0.047 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 DG A 1 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT A 3 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -5.2 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DT A 3 C3' - O3' - P ANGL. DEV. = 11.1 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 13.8 DEGREES REMARK 500 DT A 6 O4' - C4' - C3' ANGL. DEV. = -6.1 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT A 6 C3' - O3' - P ANGL. DEV. = 8.2 DEGREES REMARK 500 DG B 9 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT B 11 O4' - C1' - N1 ANGL. DEV. = -7.3 DEGREES REMARK 500 DG B 12 C5' - C4' - O4' ANGL. DEV. = 9.2 DEGREES REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = -4.8 DEGREES REMARK 500 DC B 13 C1' - O4' - C4' ANGL. DEV. = -6.6 DEGREES REMARK 500 DC B 13 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 DVA C 8 PRO C 9 30.15 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 5 0.10 SIDE CHAIN REMARK 500 DT A 6 0.08 SIDE CHAIN REMARK 500 DT B 14 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN C OF ACTINOMYCIN D REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1A7Z RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN Z3 REMARK 900 RELATED ID: 209D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF N8-ACTINOMYCIN D COMPLEXED WITH REMARK 900 D(GAAGCTTC)2 REMARK 900 RELATED ID: 1UNM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF 7-AMINOACTINOMYCIN D COMPLEXED WITH REMARK 900 NON-COMPLEMENTARY DNA REMARK 900 RELATED ID: 1I3W RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (CGATCGATCG)2 REMARK 900 RELATED ID: 1A7Y RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D REMARK 900 RELATED ID: 1FJA RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (AAGCGCTT)2 REMARK 900 RELATED ID: 173D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (GAAGCTTC)2 REMARK 900 RELATED ID: 2D55 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (GAAGCTTC)2 REMARK 900 RELATED ID: 1DSC RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (GAAGCTTC)2 REMARK 900 RELATED ID: 1L1V RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF ACTNIOMYCIN D COMPLEXED WITH REMARK 900 MISMATCHED DNA (GTCACCGAC) REMARK 900 RELATED ID: 316D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF F8-ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (GAAGCTTC)2 REMARK 900 RELATED ID: 1MNV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (ATGCTGCAT)2 REMARK 900 RELATED ID: 1UNJ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF 7-AMINO-ACTINOMYCIN D COMPLEXED WITH A REMARK 900 NON-COMPLEMENTARY DNA (TTAGT)2 REMARK 900 RELATED ID: 1OVF RELATED DB: PDB REMARK 900 SOLUTIOM STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA REMARK 900 (CCGTTTTGTGG)2 REMARK 900 RELATED ID: 1QFI RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN X2 DBREF 1DSD A 1 8 PDB 1DSD 1DSD 1 8 DBREF 1DSD B 9 16 PDB 1DSD 1DSD 1 8 DBREF 1DSD C 1 11 NOR NOR00228 NOR00228 1 11 SEQRES 1 A 8 DG DA DT DG DC DT DT DC SEQRES 1 B 8 DG DA DT DG DC DT DT DC SEQRES 1 C 11 THR DVA PRO SAR MVA PXZ THR DVA PRO SAR MVA HET DVA C 2 16 HET SAR C 4 10 HET MVA C 5 19 HET PXZ C 6 32 HET DVA C 8 16 HET SAR C 10 10 HET MVA C 11 19 HETNAM DVA D-VALINE HETNAM SAR SARCOSINE HETNAM MVA N-METHYLVALINE HETNAM PXZ 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO- HETNAM 2 PXZ PHENOXAZIN-3-ONE HETSYN PXZ PHENOXAZINE FORMUL 3 DVA 2(C5 H11 N O2) FORMUL 3 SAR 2(C3 H7 N O2) FORMUL 3 MVA 2(C6 H13 N O2) FORMUL 3 PXZ C16 H12 N2 O4 LINK C THR C 1 N DVA C 2 1555 1555 1.30 LINK OG1 THR C 1 C MVA C 5 1555 1555 1.31 LINK N THR C 1 C PXZ C 6 1555 1555 1.31 LINK C DVA C 2 N PRO C 3 1555 1555 1.31 LINK C PRO C 3 N SAR C 4 1555 1555 1.31 LINK C SAR C 4 N MVA C 5 1555 1555 1.32 LINK C' PXZ C 6 N THR C 7 1555 1555 1.30 LINK C THR C 7 N DVA C 8 1555 1555 1.30 LINK OG1 THR C 7 C MVA C 11 1555 1555 1.33 LINK C DVA C 8 N PRO C 9 1555 1555 1.29 LINK C PRO C 9 N SAR C 10 1555 1555 1.30 LINK C SAR C 10 N MVA C 11 1555 1555 1.32 CISPEP 1 DVA C 2 PRO C 3 0 17.88 CISPEP 2 PRO C 3 SAR C 4 0 -0.74 CISPEP 3 PRO C 9 SAR C 10 0 0.84 SITE 1 AC1 10 DT A 3 DG A 4 DC A 5 DT A 6 SITE 2 AC1 10 DT A 7 DT B 11 DG B 12 DC B 13 SITE 3 AC1 10 DT B 14 DT B 15 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 O5' DG A 1 16.460 12.909 7.543 1.00 0.00 O ATOM 2 C5' DG A 1 15.761 13.307 8.729 1.00 0.00 C ATOM 3 C4' DG A 1 14.240 12.971 8.682 1.00 0.00 C ATOM 4 O4' DG A 1 13.662 13.667 7.558 1.00 0.00 O ATOM 5 C3' DG A 1 13.966 11.459 8.482 1.00 0.00 C ATOM 6 O3' DG A 1 12.769 11.033 9.161 1.00 0.00 O ATOM 7 C2' DG A 1 13.847 11.443 6.972 1.00 0.00 C ATOM 8 C1' DG A 1 13.079 12.712 6.659 1.00 0.00 C ATOM 9 N9 DG A 1 13.236 13.105 5.253 1.00 0.00 N ATOM 10 C8 DG A 1 14.349 13.596 4.663 1.00 0.00 C ATOM 11 N7 DG A 1 14.210 13.898 3.401 1.00 0.00 N ATOM 12 C5 DG A 1 12.883 13.554 3.133 1.00 0.00 C ATOM 13 C6 DG A 1 12.127 13.657 1.927 1.00 0.00 C ATOM 14 O6 DG A 1 12.480 14.084 0.827 1.00 0.00 O ATOM 15 N1 DG A 1 10.828 13.194 2.101 1.00 0.00 N ATOM 16 C2 DG A 1 10.320 12.681 3.279 1.00 0.00 C ATOM 17 N2 DG A 1 9.075 12.216 3.258 1.00 0.00 N ATOM 18 N3 DG A 1 11.014 12.612 4.411 1.00 0.00 N ATOM 19 C4 DG A 1 12.284 13.057 4.264 1.00 0.00 C ATOM 20 H5' DG A 1 15.905 14.387 8.799 1.00 0.00 H ATOM 21 H5'' DG A 1 16.274 12.812 9.554 1.00 0.00 H ATOM 22 H4' DG A 1 13.641 13.319 9.541 1.00 0.00 H ATOM 23 H3' DG A 1 14.754 10.783 8.843 1.00 0.00 H ATOM 24 H2' DG A 1 14.855 11.515 6.548 1.00 0.00 H ATOM 25 H2'' DG A 1 13.343 10.565 6.586 1.00 0.00 H ATOM 26 H1' DG A 1 12.018 12.633 6.850 1.00 0.00 H ATOM 27 H8 DG A 1 15.238 13.687 5.280 1.00 0.00 H ATOM 28 H1 DG A 1 10.217 13.244 1.297 1.00 0.00 H ATOM 29 H21 DG A 1 8.527 12.273 2.408 1.00 0.00 H ATOM 30 H22 DG A 1 8.719 11.752 4.081 1.00 0.00 H ATOM 31 HO5' DG A 1 17.384 13.144 7.663 1.00 0.00 H ATOM 32 P DA A 2 12.225 9.516 9.010 1.00 0.00 P ATOM 33 OP1 DA A 2 11.530 9.122 10.255 1.00 0.00 O ATOM 34 OP2 DA A 2 13.336 8.681 8.491 1.00 0.00 O ATOM 35 O5' DA A 2 11.099 9.655 7.849 1.00 0.00 O ATOM 36 C5' DA A 2 9.787 10.151 8.171 1.00 0.00 C ATOM 37 C4' DA A 2 8.701 9.697 7.204 1.00 0.00 C ATOM 38 O4' DA A 2 8.865 10.174 5.850 1.00 0.00 O ATOM 39 C3' DA A 2 8.543 8.196 7.195 1.00 0.00 C ATOM 40 O3' DA A 2 7.168 7.831 7.374 1.00 0.00 O ATOM 41 C2' DA A 2 9.171 7.884 5.865 1.00 0.00 C ATOM 42 C1' DA A 2 8.871 9.055 4.953 1.00 0.00 C ATOM 43 N9 DA A 2 9.913 9.293 3.942 1.00 0.00 N ATOM 44 C8 DA A 2 11.216 9.545 4.195 1.00 0.00 C ATOM 45 N7 DA A 2 11.951 9.788 3.153 1.00 0.00 N ATOM 46 C5 DA A 2 11.047 9.677 2.109 1.00 0.00 C ATOM 47 C6 DA A 2 11.191 9.843 0.737 1.00 0.00 C ATOM 48 N6 DA A 2 12.338 10.199 0.162 1.00 0.00 N ATOM 49 N1 DA A 2 10.111 9.637 -0.020 1.00 0.00 N ATOM 50 C2 DA A 2 8.946 9.320 0.530 1.00 0.00 C ATOM 51 N3 DA A 2 8.680 9.156 1.824 1.00 0.00 N ATOM 52 C4 DA A 2 9.798 9.349 2.569 1.00 0.00 C ATOM 53 H5' DA A 2 9.749 11.228 8.184 1.00 0.00 H ATOM 54 H5'' DA A 2 9.540 9.822 9.174 1.00 0.00 H ATOM 55 H4' DA A 2 7.741 10.063 7.522 1.00 0.00 H ATOM 56 H3' DA A 2 9.078 7.711 8.011 1.00 0.00 H ATOM 57 H2' DA A 2 10.237 7.848 6.052 1.00 0.00 H ATOM 58 H2'' DA A 2 8.797 6.969 5.416 1.00 0.00 H ATOM 59 H1' DA A 2 7.943 8.904 4.435 1.00 0.00 H ATOM 60 H8 DA A 2 11.534 9.528 5.224 1.00 0.00 H ATOM 61 H61 DA A 2 12.326 10.582 -0.774 1.00 0.00 H ATOM 62 H62 DA A 2 13.194 10.205 0.697 1.00 0.00 H ATOM 63 H2 DA A 2 8.136 9.187 -0.204 1.00 0.00 H ATOM 64 P DT A 3 6.777 6.320 7.741 1.00 0.00 P ATOM 65 OP1 DT A 3 5.302 6.210 7.811 1.00 0.00 O ATOM 66 OP2 DT A 3 7.621 5.867 8.871 1.00 0.00 O ATOM 67 O5' DT A 3 7.306 5.664 6.385 1.00 0.00 O ATOM 68 C5' DT A 3 6.572 5.909 5.188 1.00 0.00 C ATOM 69 C4' DT A 3 7.331 5.527 3.970 1.00 0.00 C ATOM 70 O4' DT A 3 8.441 6.389 3.740 1.00 0.00 O ATOM 71 C3' DT A 3 7.975 4.163 4.090 1.00 0.00 C ATOM 72 O3' DT A 3 7.228 2.944 4.378 1.00 0.00 O ATOM 73 C2' DT A 3 9.014 4.267 2.932 1.00 0.00 C ATOM 74 C1' DT A 3 9.174 5.761 2.685 1.00 0.00 C ATOM 75 N1 DT A 3 10.590 6.121 2.694 1.00 0.00 N ATOM 76 C2 DT A 3 11.211 6.559 1.536 1.00 0.00 C ATOM 77 O2 DT A 3 10.656 6.608 0.438 1.00 0.00 O ATOM 78 N3 DT A 3 12.527 6.951 1.686 1.00 0.00 N ATOM 79 C4 DT A 3 13.246 6.978 2.877 1.00 0.00 C ATOM 80 O4 DT A 3 14.412 7.367 2.889 1.00 0.00 O ATOM 81 C5 DT A 3 12.486 6.511 4.024 1.00 0.00 C ATOM 82 C7 DT A 3 13.041 6.582 5.446 1.00 0.00 C ATOM 83 C6 DT A 3 11.250 6.029 3.863 1.00 0.00 C ATOM 84 H5' DT A 3 6.235 6.931 5.094 1.00 0.00 H ATOM 85 H5'' DT A 3 5.717 5.261 5.210 1.00 0.00 H ATOM 86 H4' DT A 3 6.657 5.602 3.142 1.00 0.00 H ATOM 87 H3' DT A 3 8.483 4.270 5.019 1.00 0.00 H ATOM 88 H2' DT A 3 9.964 3.751 3.171 1.00 0.00 H ATOM 89 H2'' DT A 3 8.766 3.997 1.914 1.00 0.00 H ATOM 90 H1' DT A 3 8.711 6.111 1.768 1.00 0.00 H ATOM 91 H3 DT A 3 12.975 7.241 0.828 1.00 0.00 H ATOM 92 H71 DT A 3 14.044 6.999 5.447 1.00 0.00 H ATOM 93 H72 DT A 3 12.386 7.225 6.038 1.00 0.00 H ATOM 94 H73 DT A 3 13.031 5.588 5.892 1.00 0.00 H ATOM 95 H6 DT A 3 10.711 5.523 4.636 1.00 0.00 H ATOM 96 P DG A 4 5.725 2.726 5.044 1.00 0.00 P ATOM 97 OP1 DG A 4 5.471 3.671 6.145 1.00 0.00 O ATOM 98 OP2 DG A 4 5.526 1.282 5.293 1.00 0.00 O ATOM 99 O5' DG A 4 4.818 3.156 3.769 1.00 0.00 O ATOM 100 C5' DG A 4 5.455 3.048 2.488 1.00 0.00 C ATOM 101 C4' DG A 4 5.254 1.717 1.761 1.00 0.00 C ATOM 102 O4' DG A 4 6.145 1.718 0.649 1.00 0.00 O ATOM 103 C3' DG A 4 5.619 0.546 2.634 1.00 0.00 C ATOM 104 O3' DG A 4 4.394 -0.056 3.040 1.00 0.00 O ATOM 105 C2' DG A 4 6.613 -0.257 1.825 1.00 0.00 C ATOM 106 C1' DG A 4 7.159 0.723 0.778 1.00 0.00 C ATOM 107 N9 DG A 4 8.492 1.306 1.091 1.00 0.00 N ATOM 108 C8 DG A 4 9.174 1.277 2.272 1.00 0.00 C ATOM 109 N7 DG A 4 10.333 1.869 2.260 1.00 0.00 N ATOM 110 C5 DG A 4 10.420 2.368 0.969 1.00 0.00 C ATOM 111 C6 DG A 4 11.425 3.179 0.384 1.00 0.00 C ATOM 112 O6 DG A 4 12.429 3.665 0.905 1.00 0.00 O ATOM 113 N1 DG A 4 11.152 3.425 -0.938 1.00 0.00 N ATOM 114 C2 DG A 4 10.044 2.974 -1.614 1.00 0.00 C ATOM 115 N2 DG A 4 9.970 3.252 -2.904 1.00 0.00 N ATOM 116 N3 DG A 4 9.053 2.284 -1.058 1.00 0.00 N ATOM 117 C4 DG A 4 9.313 2.008 0.238 1.00 0.00 C ATOM 118 H5' DG A 4 6.496 3.016 2.752 1.00 0.00 H ATOM 119 H5'' DG A 4 5.434 3.956 1.895 1.00 0.00 H ATOM 120 H4' DG A 4 4.229 1.506 1.453 1.00 0.00 H ATOM 121 H3' DG A 4 6.108 0.887 3.519 1.00 0.00 H ATOM 122 H2' DG A 4 7.397 -0.756 2.416 1.00 0.00 H ATOM 123 H2'' DG A 4 6.060 -1.062 1.356 1.00 0.00 H ATOM 124 H1' DG A 4 7.171 0.260 -0.214 1.00 0.00 H ATOM 125 H8 DG A 4 8.758 0.795 3.141 1.00 0.00 H ATOM 126 H1 DG A 4 11.835 3.994 -1.414 1.00 0.00 H ATOM 127 H21 DG A 4 10.650 3.880 -3.313 1.00 0.00 H ATOM 128 H22 DG A 4 9.153 2.937 -3.421 1.00 0.00 H ATOM 129 P DC A 5 4.176 -1.622 3.199 1.00 0.00 P ATOM 130 OP1 DC A 5 2.863 -1.866 3.836 1.00 0.00 O ATOM 131 OP2 DC A 5 5.407 -2.245 3.744 1.00 0.00 O ATOM 132 O5' DC A 5 4.096 -1.979 1.630 1.00 0.00 O ATOM 133 C5' DC A 5 3.992 -3.350 1.275 1.00 0.00 C ATOM 134 C4' DC A 5 4.200 -3.644 -0.193 1.00 0.00 C ATOM 135 O4' DC A 5 5.532 -3.308 -0.647 1.00 0.00 O ATOM 136 C3' DC A 5 3.976 -5.098 -0.471 1.00 0.00 C ATOM 137 O3' DC A 5 3.049 -5.165 -1.558 1.00 0.00 O ATOM 138 C2' DC A 5 5.313 -5.661 -0.799 1.00 0.00 C ATOM 139 C1' DC A 5 6.284 -4.528 -0.791 1.00 0.00 C ATOM 140 N1 DC A 5 7.563 -4.747 -0.091 1.00 0.00 N ATOM 141 C2 DC A 5 8.753 -4.645 -0.801 1.00 0.00 C ATOM 142 O2 DC A 5 8.726 -4.593 -2.024 1.00 0.00 O ATOM 143 N3 DC A 5 9.932 -4.625 -0.135 1.00 0.00 N ATOM 144 C4 DC A 5 9.952 -4.685 1.199 1.00 0.00 C ATOM 145 N4 DC A 5 11.133 -4.599 1.810 1.00 0.00 N ATOM 146 C5 DC A 5 8.725 -4.836 1.933 1.00 0.00 C ATOM 147 C6 DC A 5 7.575 -5.005 1.208 1.00 0.00 C ATOM 148 H5' DC A 5 3.056 -3.763 1.673 1.00 0.00 H ATOM 149 H5'' DC A 5 4.850 -3.839 1.695 1.00 0.00 H ATOM 150 H4' DC A 5 3.435 -3.207 -0.816 1.00 0.00 H ATOM 151 H3' DC A 5 3.549 -5.605 0.374 1.00 0.00 H ATOM 152 H2' DC A 5 5.685 -6.441 -0.162 1.00 0.00 H ATOM 153 H2'' DC A 5 5.116 -6.032 -1.784 1.00 0.00 H ATOM 154 H1' DC A 5 6.716 -4.468 -1.745 1.00 0.00 H ATOM 155 H41 DC A 5 11.957 -4.490 1.236 1.00 0.00 H ATOM 156 H42 DC A 5 11.200 -4.630 2.818 1.00 0.00 H ATOM 157 H5 DC A 5 8.593 -4.797 2.976 1.00 0.00 H ATOM 158 H6 DC A 5 6.673 -5.381 1.608 1.00 0.00 H ATOM 159 P DT A 6 2.187 -6.495 -1.855 1.00 0.00 P ATOM 160 OP1 DT A 6 0.899 -6.088 -2.460 1.00 0.00 O ATOM 161 OP2 DT A 6 2.184 -7.337 -0.637 1.00 0.00 O ATOM 162 O5' DT A 6 3.074 -7.245 -2.953 1.00 0.00 O ATOM 163 C5' DT A 6 3.083 -6.808 -4.312 1.00 0.00 C ATOM 164 C4' DT A 6 4.424 -7.129 -4.983 1.00 0.00 C ATOM 165 O4' DT A 6 5.542 -6.742 -4.174 1.00 0.00 O ATOM 166 C3' DT A 6 4.627 -8.620 -4.939 1.00 0.00 C ATOM 167 O3' DT A 6 3.917 -9.207 -6.031 1.00 0.00 O ATOM 168 C2' DT A 6 6.142 -8.810 -4.861 1.00 0.00 C ATOM 169 C1' DT A 6 6.681 -7.430 -4.714 1.00 0.00 C ATOM 170 N1 DT A 6 7.854 -7.470 -3.814 1.00 0.00 N ATOM 171 C2 DT A 6 9.130 -7.335 -4.328 1.00 0.00 C ATOM 172 O2 DT A 6 9.385 -7.368 -5.530 1.00 0.00 O ATOM 173 N3 DT A 6 10.137 -7.195 -3.383 1.00 0.00 N ATOM 174 C4 DT A 6 10.003 -7.362 -2.011 1.00 0.00 C ATOM 175 O4 DT A 6 10.975 -7.253 -1.262 1.00 0.00 O ATOM 176 C5 DT A 6 8.648 -7.658 -1.599 1.00 0.00 C ATOM 177 C7 DT A 6 8.348 -8.016 -0.146 1.00 0.00 C ATOM 178 C6 DT A 6 7.645 -7.637 -2.493 1.00 0.00 C ATOM 179 H5' DT A 6 2.841 -5.754 -4.374 1.00 0.00 H ATOM 180 H5'' DT A 6 2.287 -7.366 -4.803 1.00 0.00 H ATOM 181 H4' DT A 6 4.469 -6.673 -5.988 1.00 0.00 H ATOM 182 H3' DT A 6 4.227 -8.805 -3.945 1.00 0.00 H ATOM 183 H2' DT A 6 6.392 -9.360 -3.945 1.00 0.00 H ATOM 184 H2'' DT A 6 6.660 -9.233 -5.707 1.00 0.00 H ATOM 185 H1' DT A 6 6.930 -7.029 -5.684 1.00 0.00 H ATOM 186 H3 DT A 6 11.054 -6.928 -3.721 1.00 0.00 H ATOM 187 H71 DT A 6 9.247 -7.899 0.459 1.00 0.00 H ATOM 188 H72 DT A 6 7.570 -7.360 0.235 1.00 0.00 H ATOM 189 H73 DT A 6 7.995 -9.046 -0.093 1.00 0.00 H ATOM 190 H6 DT A 6 6.613 -7.749 -2.260 1.00 0.00 H ATOM 191 P DT A 7 3.814 -10.765 -6.420 1.00 0.00 P ATOM 192 OP1 DT A 7 2.608 -10.908 -7.261 1.00 0.00 O ATOM 193 OP2 DT A 7 3.977 -11.575 -5.191 1.00 0.00 O ATOM 194 O5' DT A 7 5.127 -10.951 -7.329 1.00 0.00 O ATOM 195 C5' DT A 7 5.362 -9.991 -8.364 1.00 0.00 C ATOM 196 C4' DT A 7 6.803 -9.965 -8.843 1.00 0.00 C ATOM 197 O4' DT A 7 7.621 -9.662 -7.706 1.00 0.00 O ATOM 198 C3' DT A 7 7.304 -11.247 -9.501 1.00 0.00 C ATOM 199 O3' DT A 7 8.028 -11.014 -10.714 1.00 0.00 O ATOM 200 C2' DT A 7 8.161 -11.817 -8.404 1.00 0.00 C ATOM 201 C1' DT A 7 8.674 -10.612 -7.629 1.00 0.00 C ATOM 202 N1 DT A 7 8.945 -10.892 -6.198 1.00 0.00 N ATOM 203 C2 DT A 7 10.194 -10.579 -5.693 1.00 0.00 C ATOM 204 O2 DT A 7 11.131 -10.204 -6.396 1.00 0.00 O ATOM 205 N3 DT A 7 10.346 -10.727 -4.332 1.00 0.00 N ATOM 206 C4 DT A 7 9.418 -11.238 -3.448 1.00 0.00 C ATOM 207 O4 DT A 7 9.684 -11.325 -2.250 1.00 0.00 O ATOM 208 C5 DT A 7 8.172 -11.626 -4.077 1.00 0.00 C ATOM 209 C7 DT A 7 7.073 -12.275 -3.237 1.00 0.00 C ATOM 210 C6 DT A 7 7.971 -11.423 -5.396 1.00 0.00 C ATOM 211 H5' DT A 7 5.157 -9.005 -7.958 1.00 0.00 H ATOM 212 H5'' DT A 7 4.662 -10.164 -9.168 1.00 0.00 H ATOM 213 H4' DT A 7 6.965 -9.190 -9.578 1.00 0.00 H ATOM 214 H3' DT A 7 6.462 -11.880 -9.784 1.00 0.00 H ATOM 215 H2' DT A 7 7.479 -12.439 -7.819 1.00 0.00 H ATOM 216 H2'' DT A 7 9.030 -12.352 -8.785 1.00 0.00 H ATOM 217 H1' DT A 7 9.537 -10.171 -8.117 1.00 0.00 H ATOM 218 H3 DT A 7 11.228 -10.416 -3.955 1.00 0.00 H ATOM 219 H71 DT A 7 7.399 -12.344 -2.199 1.00 0.00 H ATOM 220 H72 DT A 7 6.171 -11.665 -3.289 1.00 0.00 H ATOM 221 H73 DT A 7 6.864 -13.275 -3.617 1.00 0.00 H ATOM 222 H6 DT A 7 7.033 -11.662 -5.864 1.00 0.00 H ATOM 223 P DC A 8 8.496 -12.259 -11.640 1.00 0.00 P ATOM 224 OP1 DC A 8 8.660 -11.764 -13.025 1.00 0.00 O ATOM 225 OP2 DC A 8 7.600 -13.408 -11.373 1.00 0.00 O ATOM 226 O5' DC A 8 9.956 -12.613 -11.044 1.00 0.00 O ATOM 227 C5' DC A 8 11.045 -11.752 -11.386 1.00 0.00 C ATOM 228 C4' DC A 8 12.319 -12.017 -10.604 1.00 0.00 C ATOM 229 O4' DC A 8 12.042 -11.789 -9.226 1.00 0.00 O ATOM 230 C3' DC A 8 12.805 -13.460 -10.703 1.00 0.00 C ATOM 231 O3' DC A 8 13.625 -13.723 -11.850 1.00 0.00 O ATOM 232 C2' DC A 8 13.576 -13.608 -9.353 1.00 0.00 C ATOM 233 C1' DC A 8 13.029 -12.472 -8.442 1.00 0.00 C ATOM 234 N1 DC A 8 12.362 -12.959 -7.216 1.00 0.00 N ATOM 235 C2 DC A 8 12.872 -12.643 -5.965 1.00 0.00 C ATOM 236 O2 DC A 8 13.880 -11.952 -5.846 1.00 0.00 O ATOM 237 N3 DC A 8 12.225 -13.113 -4.863 1.00 0.00 N ATOM 238 C4 DC A 8 11.100 -13.837 -4.965 1.00 0.00 C ATOM 239 N4 DC A 8 10.513 -14.282 -3.851 1.00 0.00 N ATOM 240 C5 DC A 8 10.538 -14.131 -6.250 1.00 0.00 C ATOM 241 C6 DC A 8 11.244 -13.703 -7.349 1.00 0.00 C ATOM 242 H5' DC A 8 10.726 -10.754 -11.115 1.00 0.00 H ATOM 243 H5'' DC A 8 11.221 -11.830 -12.454 1.00 0.00 H ATOM 244 H4' DC A 8 13.092 -11.331 -10.956 1.00 0.00 H ATOM 245 H3' DC A 8 11.886 -14.069 -10.807 1.00 0.00 H ATOM 246 HO3' DC A 8 13.102 -13.508 -12.626 1.00 0.00 H ATOM 247 H2' DC A 8 13.374 -14.581 -8.879 1.00 0.00 H ATOM 248 H2'' DC A 8 14.671 -13.529 -9.447 1.00 0.00 H ATOM 249 H1' DC A 8 13.789 -11.744 -8.150 1.00 0.00 H ATOM 250 H41 DC A 8 11.016 -14.206 -2.976 1.00 0.00 H ATOM 251 H42 DC A 8 9.623 -14.763 -3.892 1.00 0.00 H ATOM 252 H5 DC A 8 9.618 -14.643 -6.411 1.00 0.00 H ATOM 253 H6 DC A 8 10.942 -13.948 -8.341 1.00 0.00 H TER 254 DC A 8 ATOM 255 O5' DG B 9 18.166 -13.881 4.140 1.00 0.00 O ATOM 256 C5' DG B 9 19.455 -14.333 3.705 1.00 0.00 C ATOM 257 C4' DG B 9 19.806 -13.874 2.257 1.00 0.00 C ATOM 258 O4' DG B 9 18.809 -14.413 1.363 1.00 0.00 O ATOM 259 C3' DG B 9 19.789 -12.332 2.094 1.00 0.00 C ATOM 260 O3' DG B 9 20.768 -11.873 1.139 1.00 0.00 O ATOM 261 C2' DG B 9 18.358 -12.163 1.625 1.00 0.00 C ATOM 262 C1' DG B 9 18.150 -13.333 0.683 1.00 0.00 C ATOM 263 N9 DG B 9 16.724 -13.603 0.462 1.00 0.00 N ATOM 264 C8 DG B 9 15.846 -14.124 1.349 1.00 0.00 C ATOM 265 N7 DG B 9 14.638 -14.294 0.887 1.00 0.00 N ATOM 266 C5 DG B 9 14.727 -13.821 -0.425 1.00 0.00 C ATOM 267 C6 DG B 9 13.737 -13.750 -1.451 1.00 0.00 C ATOM 268 O6 DG B 9 12.556 -14.098 -1.412 1.00 0.00 O ATOM 269 N1 DG B 9 14.255 -13.202 -2.620 1.00 0.00 N ATOM 270 C2 DG B 9 15.554 -12.764 -2.782 1.00 0.00 C ATOM 271 N2 DG B 9 15.872 -12.201 -3.944 1.00 0.00 N ATOM 272 N3 DG B 9 16.484 -12.858 -1.837 1.00 0.00 N ATOM 273 C4 DG B 9 16.003 -13.387 -0.687 1.00 0.00 C ATOM 274 H5' DG B 9 19.409 -15.423 3.753 1.00 0.00 H ATOM 275 H5'' DG B 9 20.163 -13.960 4.445 1.00 0.00 H ATOM 276 H4' DG B 9 20.757 -14.254 1.847 1.00 0.00 H ATOM 277 H3' DG B 9 19.995 -11.760 3.010 1.00 0.00 H ATOM 278 H2' DG B 9 17.697 -12.280 2.492 1.00 0.00 H ATOM 279 H2'' DG B 9 18.171 -11.213 1.136 1.00 0.00 H ATOM 280 H1' DG B 9 18.600 -13.188 -0.289 1.00 0.00 H ATOM 281 H8 DG B 9 16.220 -14.343 2.345 1.00 0.00 H ATOM 282 H1 DG B 9 13.623 -13.125 -3.404 1.00 0.00 H ATOM 283 H21 DG B 9 15.179 -12.136 -4.679 1.00 0.00 H ATOM 284 H22 DG B 9 16.789 -11.787 -4.044 1.00 0.00 H ATOM 285 HO5' DG B 9 18.040 -14.199 5.037 1.00 0.00 H ATOM 286 P DA B 10 20.860 -10.307 0.722 1.00 0.00 P ATOM 287 OP1 DA B 10 22.263 -9.978 0.383 1.00 0.00 O ATOM 288 OP2 DA B 10 20.151 -9.525 1.764 1.00 0.00 O ATOM 289 O5' DA B 10 20.002 -10.253 -0.651 1.00 0.00 O ATOM 290 C5' DA B 10 20.602 -10.676 -1.890 1.00 0.00 C ATOM 291 C4' DA B 10 19.967 -10.048 -3.123 1.00 0.00 C ATOM 292 O4' DA B 10 18.582 -10.405 -3.331 1.00 0.00 O ATOM 293 C3' DA B 10 20.102 -8.543 -3.116 1.00 0.00 C ATOM 294 O3' DA B 10 20.642 -8.050 -4.342 1.00 0.00 O ATOM 295 C2' DA B 10 18.680 -8.156 -2.796 1.00 0.00 C ATOM 296 C1' DA B 10 17.790 -9.211 -3.426 1.00 0.00 C ATOM 297 N9 DA B 10 16.542 -9.431 -2.677 1.00 0.00 N ATOM 298 C8 DA B 10 16.451 -9.802 -1.380 1.00 0.00 C ATOM 299 N7 DA B 10 15.247 -10.008 -0.941 1.00 0.00 N ATOM 300 C5 DA B 10 14.464 -9.727 -2.051 1.00 0.00 C ATOM 301 C6 DA B 10 13.088 -9.776 -2.256 1.00 0.00 C ATOM 302 N6 DA B 10 12.224 -10.159 -1.319 1.00 0.00 N ATOM 303 N1 DA B 10 12.636 -9.425 -3.462 1.00 0.00 N ATOM 304 C2 DA B 10 13.483 -9.080 -4.422 1.00 0.00 C ATOM 305 N3 DA B 10 14.808 -9.005 -4.354 1.00 0.00 N ATOM 306 C4 DA B 10 15.239 -9.350 -3.118 1.00 0.00 C ATOM 307 H5' DA B 10 20.549 -11.745 -2.030 1.00 0.00 H ATOM 308 H5'' DA B 10 21.657 -10.425 -1.858 1.00 0.00 H ATOM 309 H4' DA B 10 20.482 -10.364 -4.015 1.00 0.00 H ATOM 310 H3' DA B 10 20.814 -8.201 -2.362 1.00 0.00 H ATOM 311 H2' DA B 10 18.611 -8.225 -1.714 1.00 0.00 H ATOM 312 H2'' DA B 10 18.425 -7.172 -3.169 1.00 0.00 H ATOM 313 H1' DA B 10 17.527 -8.958 -4.438 1.00 0.00 H ATOM 314 H8 DA B 10 17.373 -9.898 -0.829 1.00 0.00 H ATOM 315 H61 DA B 10 11.297 -10.455 -1.590 1.00 0.00 H ATOM 316 H62 DA B 10 12.535 -10.282 -0.366 1.00 0.00 H ATOM 317 H2 DA B 10 12.995 -8.842 -5.369 1.00 0.00 H ATOM 318 P DT B 11 20.833 -6.456 -4.510 1.00 0.00 P ATOM 319 OP1 DT B 11 21.632 -6.205 -5.730 1.00 0.00 O ATOM 320 OP2 DT B 11 21.245 -5.862 -3.218 1.00 0.00 O ATOM 321 O5' DT B 11 19.292 -6.021 -4.821 1.00 0.00 O ATOM 322 C5' DT B 11 18.690 -6.561 -6.010 1.00 0.00 C ATOM 323 C4' DT B 11 17.218 -6.257 -6.270 1.00 0.00 C ATOM 324 O4' DT B 11 16.371 -6.668 -5.224 1.00 0.00 O ATOM 325 C3' DT B 11 16.888 -4.828 -6.628 1.00 0.00 C ATOM 326 O3' DT B 11 16.414 -4.906 -7.981 1.00 0.00 O ATOM 327 C2' DT B 11 15.752 -4.447 -5.703 1.00 0.00 C ATOM 328 C1' DT B 11 15.238 -5.791 -5.213 1.00 0.00 C ATOM 329 N1 DT B 11 14.911 -5.784 -3.776 1.00 0.00 N ATOM 330 C2 DT B 11 13.624 -6.003 -3.332 1.00 0.00 C ATOM 331 O2 DT B 11 12.656 -6.104 -4.085 1.00 0.00 O ATOM 332 N3 DT B 11 13.485 -6.102 -1.960 1.00 0.00 N ATOM 333 C4 DT B 11 14.481 -5.910 -1.017 1.00 0.00 C ATOM 334 O4 DT B 11 14.210 -5.948 0.181 1.00 0.00 O ATOM 335 C5 DT B 11 15.791 -5.667 -1.582 1.00 0.00 C ATOM 336 C7 DT B 11 17.010 -5.519 -0.671 1.00 0.00 C ATOM 337 C6 DT B 11 15.946 -5.588 -2.913 1.00 0.00 C ATOM 338 H5' DT B 11 18.814 -7.639 -6.003 1.00 0.00 H ATOM 339 H5'' DT B 11 19.223 -6.141 -6.845 1.00 0.00 H ATOM 340 H4' DT B 11 16.846 -6.823 -7.106 1.00 0.00 H ATOM 341 H3' DT B 11 17.779 -4.229 -6.448 1.00 0.00 H ATOM 342 H2' DT B 11 16.111 -3.814 -4.891 1.00 0.00 H ATOM 343 H2'' DT B 11 14.969 -3.891 -6.216 1.00 0.00 H ATOM 344 H1' DT B 11 14.486 -6.146 -5.911 1.00 0.00 H ATOM 345 H3 DT B 11 12.569 -6.360 -1.619 1.00 0.00 H ATOM 346 H71 DT B 11 16.699 -5.581 0.372 1.00 0.00 H ATOM 347 H72 DT B 11 17.716 -6.324 -0.880 1.00 0.00 H ATOM 348 H73 DT B 11 17.493 -4.561 -0.854 1.00 0.00 H ATOM 349 H6 DT B 11 16.877 -5.376 -3.421 1.00 0.00 H ATOM 350 P DG B 12 17.143 -4.205 -9.225 1.00 0.00 P ATOM 351 OP1 DG B 12 16.380 -4.525 -10.453 1.00 0.00 O ATOM 352 OP2 DG B 12 18.592 -4.494 -9.157 1.00 0.00 O ATOM 353 O5' DG B 12 16.902 -2.671 -8.828 1.00 0.00 O ATOM 354 C5' DG B 12 15.659 -2.098 -9.211 1.00 0.00 C ATOM 355 C4' DG B 12 14.987 -1.231 -8.183 1.00 0.00 C ATOM 356 O4' DG B 12 14.522 -1.826 -6.973 1.00 0.00 O ATOM 357 C3' DG B 12 15.777 -0.041 -7.751 1.00 0.00 C ATOM 358 O3' DG B 12 16.033 0.943 -8.772 1.00 0.00 O ATOM 359 C2' DG B 12 14.925 0.445 -6.573 1.00 0.00 C ATOM 360 C1' DG B 12 13.984 -0.729 -6.189 1.00 0.00 C ATOM 361 N9 DG B 12 14.089 -1.227 -4.792 1.00 0.00 N ATOM 362 C8 DG B 12 15.163 -1.192 -3.952 1.00 0.00 C ATOM 363 N7 DG B 12 14.982 -1.738 -2.786 1.00 0.00 N ATOM 364 C5 DG B 12 13.677 -2.200 -2.857 1.00 0.00 C ATOM 365 C6 DG B 12 12.918 -2.901 -1.885 1.00 0.00 C ATOM 366 O6 DG B 12 13.237 -3.248 -0.750 1.00 0.00 O ATOM 367 N1 DG B 12 11.652 -3.184 -2.347 1.00 0.00 N ATOM 368 C2 DG B 12 11.159 -2.804 -3.578 1.00 0.00 C ATOM 369 N2 DG B 12 9.909 -3.138 -3.844 1.00 0.00 N ATOM 370 N3 DG B 12 11.850 -2.120 -4.489 1.00 0.00 N ATOM 371 C4 DG B 12 13.111 -1.868 -4.067 1.00 0.00 C ATOM 372 H5' DG B 12 14.892 -2.866 -9.265 1.00 0.00 H ATOM 373 H5'' DG B 12 15.838 -1.573 -10.163 1.00 0.00 H ATOM 374 H4' DG B 12 14.046 -1.047 -8.665 1.00 0.00 H ATOM 375 H3' DG B 12 16.698 -0.519 -7.423 1.00 0.00 H ATOM 376 H2' DG B 12 15.621 0.688 -5.774 1.00 0.00 H ATOM 377 H2'' DG B 12 14.353 1.339 -6.840 1.00 0.00 H ATOM 378 H1' DG B 12 12.944 -0.390 -6.402 1.00 0.00 H ATOM 379 H8 DG B 12 16.098 -0.751 -4.260 1.00 0.00 H ATOM 380 H1 DG B 12 11.065 -3.709 -1.712 1.00 0.00 H ATOM 381 H21 DG B 12 9.410 -3.737 -3.194 1.00 0.00 H ATOM 382 H22 DG B 12 9.439 -2.711 -4.633 1.00 0.00 H ATOM 383 P DC B 13 17.009 2.204 -8.473 1.00 0.00 P ATOM 384 OP1 DC B 13 17.359 2.883 -9.744 1.00 0.00 O ATOM 385 OP2 DC B 13 18.074 1.732 -7.559 1.00 0.00 O ATOM 386 O5' DC B 13 16.004 3.167 -7.683 1.00 0.00 O ATOM 387 C5' DC B 13 14.889 3.728 -8.403 1.00 0.00 C ATOM 388 C4' DC B 13 14.105 4.717 -7.586 1.00 0.00 C ATOM 389 O4' DC B 13 13.972 4.247 -6.248 1.00 0.00 O ATOM 390 C3' DC B 13 14.912 5.953 -7.470 1.00 0.00 C ATOM 391 O3' DC B 13 14.837 6.755 -8.662 1.00 0.00 O ATOM 392 C2' DC B 13 14.360 6.550 -6.211 1.00 0.00 C ATOM 393 C1' DC B 13 13.609 5.417 -5.520 1.00 0.00 C ATOM 394 N1 DC B 13 13.959 5.313 -4.098 1.00 0.00 N ATOM 395 C2 DC B 13 12.929 5.207 -3.185 1.00 0.00 C ATOM 396 O2 DC B 13 11.755 5.215 -3.546 1.00 0.00 O ATOM 397 N3 DC B 13 13.234 5.091 -1.869 1.00 0.00 N ATOM 398 C4 DC B 13 14.500 5.108 -1.438 1.00 0.00 C ATOM 399 N4 DC B 13 14.721 5.015 -0.126 1.00 0.00 N ATOM 400 C5 DC B 13 15.582 5.229 -2.368 1.00 0.00 C ATOM 401 C6 DC B 13 15.254 5.317 -3.699 1.00 0.00 C ATOM 402 H5' DC B 13 14.197 2.999 -8.785 1.00 0.00 H ATOM 403 H5'' DC B 13 15.311 4.281 -9.233 1.00 0.00 H ATOM 404 H4' DC B 13 13.131 4.989 -7.954 1.00 0.00 H ATOM 405 H3' DC B 13 15.886 5.536 -7.305 1.00 0.00 H ATOM 406 H2' DC B 13 15.246 6.900 -5.683 1.00 0.00 H ATOM 407 H2'' DC B 13 13.699 7.376 -6.423 1.00 0.00 H ATOM 408 H1' DC B 13 12.528 5.518 -5.599 1.00 0.00 H ATOM 409 H41 DC B 13 15.643 5.162 0.265 1.00 0.00 H ATOM 410 H42 DC B 13 13.962 4.669 0.445 1.00 0.00 H ATOM 411 H5 DC B 13 16.614 5.251 -2.123 1.00 0.00 H ATOM 412 H6 DC B 13 16.030 5.384 -4.431 1.00 0.00 H ATOM 413 P DT B 14 14.824 8.368 -8.636 1.00 0.00 P ATOM 414 OP1 DT B 14 14.725 8.887 -10.019 1.00 0.00 O ATOM 415 OP2 DT B 14 15.905 8.842 -7.740 1.00 0.00 O ATOM 416 O5' DT B 14 13.395 8.672 -7.930 1.00 0.00 O ATOM 417 C5' DT B 14 12.229 8.228 -8.643 1.00 0.00 C ATOM 418 C4' DT B 14 10.893 8.355 -7.915 1.00 0.00 C ATOM 419 O4' DT B 14 11.018 7.664 -6.662 1.00 0.00 O ATOM 420 C3' DT B 14 10.557 9.798 -7.646 1.00 0.00 C ATOM 421 O3' DT B 14 9.731 10.331 -8.717 1.00 0.00 O ATOM 422 C2' DT B 14 9.987 9.698 -6.206 1.00 0.00 C ATOM 423 C1' DT B 14 10.176 8.293 -5.690 1.00 0.00 C ATOM 424 N1 DT B 14 10.911 8.271 -4.364 1.00 0.00 N ATOM 425 C2 DT B 14 10.327 7.924 -3.144 1.00 0.00 C ATOM 426 O2 DT B 14 9.127 7.777 -2.964 1.00 0.00 O ATOM 427 N3 DT B 14 11.198 7.782 -2.071 1.00 0.00 N ATOM 428 C4 DT B 14 12.554 8.055 -2.070 1.00 0.00 C ATOM 429 O4 DT B 14 13.229 7.891 -1.052 1.00 0.00 O ATOM 430 C5 DT B 14 13.048 8.518 -3.342 1.00 0.00 C ATOM 431 C7 DT B 14 14.517 8.913 -3.482 1.00 0.00 C ATOM 432 C6 DT B 14 12.229 8.603 -4.407 1.00 0.00 C ATOM 433 H5' DT B 14 12.367 7.170 -8.782 1.00 0.00 H ATOM 434 H5'' DT B 14 12.205 8.762 -9.591 1.00 0.00 H ATOM 435 H4' DT B 14 10.064 7.977 -8.512 1.00 0.00 H ATOM 436 H3' DT B 14 11.513 10.305 -7.659 1.00 0.00 H ATOM 437 H2' DT B 14 10.658 10.200 -5.531 1.00 0.00 H ATOM 438 H2'' DT B 14 8.962 10.035 -6.007 1.00 0.00 H ATOM 439 H1' DT B 14 9.187 7.892 -5.775 1.00 0.00 H ATOM 440 H3 DT B 14 10.825 7.438 -1.195 1.00 0.00 H ATOM 441 H71 DT B 14 15.019 8.808 -2.519 1.00 0.00 H ATOM 442 H72 DT B 14 15.008 8.264 -4.204 1.00 0.00 H ATOM 443 H73 DT B 14 14.591 9.945 -3.821 1.00 0.00 H ATOM 444 H6 DT B 14 12.533 8.943 -5.369 1.00 0.00 H ATOM 445 P DT B 15 9.478 11.922 -8.988 1.00 0.00 P ATOM 446 OP1 DT B 15 8.971 12.179 -10.360 1.00 0.00 O ATOM 447 OP2 DT B 15 10.663 12.649 -8.483 1.00 0.00 O ATOM 448 O5' DT B 15 8.272 12.120 -7.950 1.00 0.00 O ATOM 449 C5' DT B 15 7.156 11.228 -8.059 1.00 0.00 C ATOM 450 C4' DT B 15 6.335 11.130 -6.784 1.00 0.00 C ATOM 451 O4' DT B 15 7.209 10.656 -5.753 1.00 0.00 O ATOM 452 C3' DT B 15 5.669 12.424 -6.328 1.00 0.00 C ATOM 453 O3' DT B 15 4.302 12.253 -5.939 1.00 0.00 O ATOM 454 C2' DT B 15 6.567 12.821 -5.187 1.00 0.00 C ATOM 455 C1' DT B 15 7.103 11.516 -4.626 1.00 0.00 C ATOM 456 N1 DT B 15 8.439 11.636 -3.995 1.00 0.00 N ATOM 457 C2 DT B 15 8.597 11.170 -2.703 1.00 0.00 C ATOM 458 O2 DT B 15 7.658 10.784 -2.007 1.00 0.00 O ATOM 459 N3 DT B 15 9.889 11.178 -2.224 1.00 0.00 N ATOM 460 C4 DT B 15 11.007 11.679 -2.857 1.00 0.00 C ATOM 461 O4 DT B 15 12.109 11.626 -2.313 1.00 0.00 O ATOM 462 C5 DT B 15 10.731 12.228 -4.166 1.00 0.00 C ATOM 463 C7 DT B 15 11.860 12.877 -4.966 1.00 0.00 C ATOM 464 C6 DT B 15 9.489 12.168 -4.691 1.00 0.00 C ATOM 465 H5' DT B 15 7.523 10.227 -8.265 1.00 0.00 H ATOM 466 H5'' DT B 15 6.565 11.522 -8.907 1.00 0.00 H ATOM 467 H4' DT B 15 5.537 10.409 -6.883 1.00 0.00 H ATOM 468 H3' DT B 15 5.653 13.144 -7.146 1.00 0.00 H ATOM 469 H2' DT B 15 7.352 13.424 -5.646 1.00 0.00 H ATOM 470 H2'' DT B 15 6.028 13.318 -4.383 1.00 0.00 H ATOM 471 H1' DT B 15 6.393 11.069 -3.945 1.00 0.00 H ATOM 472 H3 DT B 15 10.019 10.757 -1.316 1.00 0.00 H ATOM 473 H71 DT B 15 12.790 12.820 -4.400 1.00 0.00 H ATOM 474 H72 DT B 15 11.985 12.346 -5.910 1.00 0.00 H ATOM 475 H73 DT B 15 11.617 13.921 -5.161 1.00 0.00 H ATOM 476 H6 DT B 15 9.281 12.517 -5.686 1.00 0.00 H ATOM 477 P DC B 16 3.384 13.539 -5.582 1.00 0.00 P ATOM 478 OP1 DC B 16 1.969 13.166 -5.801 1.00 0.00 O ATOM 479 OP2 DC B 16 3.945 14.724 -6.271 1.00 0.00 O ATOM 480 O5' DC B 16 3.630 13.717 -3.995 1.00 0.00 O ATOM 481 C5' DC B 16 2.972 12.807 -3.110 1.00 0.00 C ATOM 482 C4' DC B 16 3.437 12.896 -1.667 1.00 0.00 C ATOM 483 O4' DC B 16 4.821 12.565 -1.632 1.00 0.00 O ATOM 484 C3' DC B 16 3.326 14.300 -1.077 1.00 0.00 C ATOM 485 O3' DC B 16 2.036 14.603 -0.529 1.00 0.00 O ATOM 486 C2' DC B 16 4.454 14.258 0.002 1.00 0.00 C ATOM 487 C1' DC B 16 5.386 13.090 -0.425 1.00 0.00 C ATOM 488 N1 DC B 16 6.770 13.509 -0.731 1.00 0.00 N ATOM 489 C2 DC B 16 7.832 13.036 0.025 1.00 0.00 C ATOM 490 O2 DC B 16 7.648 12.260 0.957 1.00 0.00 O ATOM 491 N3 DC B 16 9.090 13.449 -0.292 1.00 0.00 N ATOM 492 C4 DC B 16 9.318 14.267 -1.331 1.00 0.00 C ATOM 493 N4 DC B 16 10.571 14.652 -1.591 1.00 0.00 N ATOM 494 C5 DC B 16 8.235 14.724 -2.149 1.00 0.00 C ATOM 495 C6 DC B 16 6.968 14.348 -1.769 1.00 0.00 C ATOM 496 H5' DC B 16 3.241 11.814 -3.453 1.00 0.00 H ATOM 497 H5'' DC B 16 1.902 12.972 -3.185 1.00 0.00 H ATOM 498 H4' DC B 16 2.859 12.188 -1.071 1.00 0.00 H ATOM 499 H3' DC B 16 3.494 14.986 -1.929 1.00 0.00 H ATOM 500 HO3' DC B 16 1.398 14.505 -1.239 1.00 0.00 H ATOM 501 H2' DC B 16 5.032 15.195 0.017 1.00 0.00 H ATOM 502 H2'' DC B 16 4.091 14.100 1.031 1.00 0.00 H ATOM 503 H1' DC B 16 5.427 12.285 0.309 1.00 0.00 H ATOM 504 H41 DC B 16 11.290 14.454 -0.907 1.00 0.00 H ATOM 505 H42 DC B 16 10.783 15.204 -2.412 1.00 0.00 H ATOM 506 H5 DC B 16 8.341 15.319 -3.025 1.00 0.00 H ATOM 507 H6 DC B 16 6.101 14.707 -2.272 1.00 0.00 H TER 508 DC B 16 ATOM 509 N THR C 1 7.884 0.231 -2.410 1.00 0.00 N ATOM 510 CA THR C 1 6.753 0.379 -3.368 1.00 0.00 C ATOM 511 C THR C 1 6.961 1.580 -4.287 1.00 0.00 C ATOM 512 O THR C 1 7.616 2.542 -3.950 1.00 0.00 O ATOM 513 CB THR C 1 5.426 0.586 -2.601 1.00 0.00 C ATOM 514 OG1 THR C 1 5.502 1.706 -1.723 1.00 0.00 O ATOM 515 CG2 THR C 1 5.110 -0.611 -1.725 1.00 0.00 C ATOM 516 H THR C 1 8.344 1.028 -2.069 1.00 0.00 H ATOM 517 HA THR C 1 6.677 -0.513 -3.974 1.00 0.00 H ATOM 518 HB THR C 1 4.630 0.731 -3.312 1.00 0.00 H ATOM 519 HG21 THR C 1 5.659 -1.467 -2.068 1.00 0.00 H ATOM 520 HG22 THR C 1 5.391 -0.383 -0.704 1.00 0.00 H ATOM 521 HG23 THR C 1 4.050 -0.810 -1.764 1.00 0.00 H HETATM 522 N DVA C 2 6.336 1.529 -5.426 1.00 0.00 N HETATM 523 CA DVA C 2 6.369 2.658 -6.398 1.00 0.00 C HETATM 524 CB DVA C 2 4.966 2.766 -6.977 1.00 0.00 C HETATM 525 CG1 DVA C 2 4.867 3.959 -7.936 1.00 0.00 C HETATM 526 CG2 DVA C 2 3.964 2.931 -5.826 1.00 0.00 C HETATM 527 C DVA C 2 7.359 2.412 -7.542 1.00 0.00 C HETATM 528 O DVA C 2 7.195 1.476 -8.299 1.00 0.00 O HETATM 529 H DVA C 2 5.783 0.744 -5.628 1.00 0.00 H HETATM 530 HA DVA C 2 6.615 3.568 -5.887 1.00 0.00 H HETATM 531 HB DVA C 2 4.752 1.851 -7.513 1.00 0.00 H HETATM 532 HG11 DVA C 2 5.694 3.933 -8.633 1.00 0.00 H HETATM 533 HG12 DVA C 2 3.937 3.907 -8.484 1.00 0.00 H HETATM 534 HG13 DVA C 2 4.902 4.880 -7.374 1.00 0.00 H HETATM 535 HG21 DVA C 2 4.263 2.303 -4.997 1.00 0.00 H HETATM 536 HG22 DVA C 2 3.949 3.961 -5.504 1.00 0.00 H HETATM 537 HG23 DVA C 2 2.979 2.641 -6.157 1.00 0.00 H ATOM 538 N PRO C 3 8.225 3.373 -7.763 1.00 0.00 N ATOM 539 CA PRO C 3 8.530 4.430 -6.772 1.00 0.00 C ATOM 540 C PRO C 3 7.450 5.515 -6.822 1.00 0.00 C ATOM 541 O PRO C 3 6.958 5.840 -7.885 1.00 0.00 O ATOM 542 CB PRO C 3 9.849 5.017 -7.253 1.00 0.00 C ATOM 543 CG PRO C 3 10.463 3.954 -8.152 1.00 0.00 C ATOM 544 CD PRO C 3 9.268 3.245 -8.788 1.00 0.00 C ATOM 545 HA PRO C 3 8.636 4.011 -5.788 1.00 0.00 H ATOM 546 HB2 PRO C 3 9.660 5.897 -7.823 1.00 0.00 H ATOM 547 HB3 PRO C 3 10.494 5.232 -6.417 1.00 0.00 H ATOM 548 HG2 PRO C 3 11.081 4.412 -8.905 1.00 0.00 H ATOM 549 HG3 PRO C 3 11.031 3.272 -7.559 1.00 0.00 H ATOM 550 HD2 PRO C 3 8.966 3.763 -9.678 1.00 0.00 H ATOM 551 HD3 PRO C 3 9.483 2.212 -8.996 1.00 0.00 H HETATM 552 N SAR C 4 7.077 6.097 -5.712 1.00 0.00 N HETATM 553 CA SAR C 4 7.591 5.799 -4.382 1.00 0.00 C HETATM 554 C SAR C 4 6.579 4.948 -3.620 1.00 0.00 C HETATM 555 O SAR C 4 5.476 4.750 -4.081 1.00 0.00 O HETATM 556 CN SAR C 4 6.047 7.198 -5.667 1.00 0.00 C HETATM 557 HA2 SAR C 4 7.739 6.721 -3.846 1.00 0.00 H HETATM 558 HA3 SAR C 4 8.531 5.269 -4.453 1.00 0.00 H HETATM 559 HN1 SAR C 4 6.489 8.063 -5.178 1.00 0.00 H HETATM 560 HN2 SAR C 4 5.158 6.829 -5.164 1.00 0.00 H HETATM 561 HN3 SAR C 4 5.812 7.452 -6.703 1.00 0.00 H HETATM 562 N MVA C 5 6.890 4.607 -2.383 1.00 0.00 N HETATM 563 CN MVA C 5 8.097 5.157 -1.657 1.00 0.00 C HETATM 564 CA MVA C 5 5.981 3.968 -1.430 1.00 0.00 C HETATM 565 CB MVA C 5 5.096 5.038 -0.742 1.00 0.00 C HETATM 566 CG1 MVA C 5 4.734 6.157 -1.729 1.00 0.00 C HETATM 567 CG2 MVA C 5 3.800 4.399 -0.208 1.00 0.00 C HETATM 568 C MVA C 5 5.120 2.897 -2.114 1.00 0.00 C HETATM 569 O MVA C 5 4.201 3.144 -2.871 1.00 0.00 O HETATM 570 HN1 MVA C 5 8.343 4.499 -0.822 1.00 0.00 H HETATM 571 HN2 MVA C 5 7.870 6.147 -1.278 1.00 0.00 H HETATM 572 HN3 MVA C 5 8.949 5.214 -2.332 1.00 0.00 H HETATM 573 HA MVA C 5 6.574 3.472 -0.666 1.00 0.00 H HETATM 574 HB MVA C 5 5.650 5.467 0.083 1.00 0.00 H HETATM 575 HG11 MVA C 5 4.247 5.734 -2.594 1.00 0.00 H HETATM 576 HG12 MVA C 5 5.633 6.671 -2.038 1.00 0.00 H HETATM 577 HG13 MVA C 5 4.069 6.859 -1.249 1.00 0.00 H HETATM 578 HG21 MVA C 5 3.405 5.002 0.597 1.00 0.00 H HETATM 579 HG22 MVA C 5 4.009 3.405 0.159 1.00 0.00 H HETATM 580 HG23 MVA C 5 3.070 4.341 -1.004 1.00 0.00 H HETATM 581 C1 PXZ C 6 9.408 -1.058 -1.040 1.00 0.00 C HETATM 582 C PXZ C 6 8.260 -0.962 -2.015 1.00 0.00 C HETATM 583 O PXZ C 6 7.710 -1.967 -2.408 1.00 0.00 O HETATM 584 C2 PXZ C 6 9.216 -1.599 0.215 1.00 0.00 C HETATM 585 N2 PXZ C 6 7.886 -2.230 0.567 1.00 0.00 N HETATM 586 C3 PXZ C 6 10.219 -1.502 1.214 1.00 0.00 C HETATM 587 O3 PXZ C 6 9.931 -1.939 2.326 1.00 0.00 O HETATM 588 C4 PXZ C 6 11.490 -0.855 0.917 1.00 0.00 C HETATM 589 O5 PXZ C 6 12.822 0.317 -0.730 1.00 0.00 O HETATM 590 C6 PXZ C 6 14.128 1.624 -2.300 1.00 0.00 C HETATM 591 C7 PXZ C 6 14.175 2.254 -3.559 1.00 0.00 C HETATM 592 C8 PXZ C 6 13.096 2.209 -4.427 1.00 0.00 C HETATM 593 C9 PXZ C 6 11.918 1.537 -4.111 1.00 0.00 C HETATM 594 C' PXZ C 6 10.944 1.498 -5.254 1.00 0.00 C HETATM 595 O' PXZ C 6 10.580 2.530 -5.772 1.00 0.00 O HETATM 596 N10 PXZ C 6 10.699 0.197 -2.566 1.00 0.00 N HETATM 597 C11 PXZ C 6 10.613 -0.419 -1.351 1.00 0.00 C HETATM 598 C12 PXZ C 6 11.669 -0.336 -0.384 1.00 0.00 C HETATM 599 C13 PXZ C 6 12.938 0.940 -1.950 1.00 0.00 C HETATM 600 C14 PXZ C 6 11.830 0.880 -2.871 1.00 0.00 C HETATM 601 C15 PXZ C 6 12.542 -0.755 2.019 1.00 0.00 C HETATM 602 C16 PXZ C 6 15.333 1.676 -1.355 1.00 0.00 C HETATM 603 HN21 PXZ C 6 7.713 -2.513 1.522 1.00 0.00 H HETATM 604 HN22 PXZ C 6 7.191 -2.469 -0.128 1.00 0.00 H HETATM 605 H7 PXZ C 6 15.006 2.813 -3.965 1.00 0.00 H HETATM 606 H8 PXZ C 6 13.150 2.709 -5.393 1.00 0.00 H HETATM 607 H151 PXZ C 6 12.983 0.240 1.997 1.00 0.00 H HETATM 608 H152 PXZ C 6 13.297 -1.522 1.860 1.00 0.00 H HETATM 609 H153 PXZ C 6 12.050 -0.910 2.981 1.00 0.00 H HETATM 610 H161 PXZ C 6 16.114 2.317 -1.759 1.00 0.00 H HETATM 611 H162 PXZ C 6 15.716 0.663 -1.231 1.00 0.00 H HETATM 612 H163 PXZ C 6 15.005 2.054 -0.386 1.00 0.00 H ATOM 613 N THR C 7 10.534 0.334 -5.676 1.00 0.00 N ATOM 614 CA THR C 7 9.603 0.238 -6.833 1.00 0.00 C ATOM 615 C THR C 7 8.491 -0.759 -6.565 1.00 0.00 C ATOM 616 O THR C 7 8.532 -1.522 -5.627 1.00 0.00 O ATOM 617 CB THR C 7 10.358 -0.292 -8.063 1.00 0.00 C ATOM 618 OG1 THR C 7 11.119 -1.426 -7.701 1.00 0.00 O ATOM 619 CG2 THR C 7 11.313 0.746 -8.649 1.00 0.00 C ATOM 620 H THR C 7 10.853 -0.477 -5.247 1.00 0.00 H ATOM 621 HA THR C 7 9.179 1.200 -7.054 1.00 0.00 H ATOM 622 HB THR C 7 9.639 -0.581 -8.811 1.00 0.00 H ATOM 623 HG21 THR C 7 11.069 1.719 -8.282 1.00 0.00 H ATOM 624 HG22 THR C 7 12.328 0.492 -8.365 1.00 0.00 H ATOM 625 HG23 THR C 7 11.237 0.727 -9.729 1.00 0.00 H HETATM 626 N DVA C 8 7.540 -0.772 -7.456 1.00 0.00 N HETATM 627 CA DVA C 8 6.413 -1.730 -7.407 1.00 0.00 C HETATM 628 CB DVA C 8 5.592 -1.581 -8.672 1.00 0.00 C HETATM 629 CG1 DVA C 8 4.458 -2.616 -8.670 1.00 0.00 C HETATM 630 CG2 DVA C 8 6.500 -1.804 -9.889 1.00 0.00 C HETATM 631 C DVA C 8 5.511 -1.528 -6.191 1.00 0.00 C HETATM 632 O DVA C 8 4.848 -0.520 -6.054 1.00 0.00 O HETATM 633 H DVA C 8 7.596 -0.153 -8.211 1.00 0.00 H HETATM 634 HA DVA C 8 6.822 -2.722 -7.379 1.00 0.00 H HETATM 635 HB DVA C 8 5.182 -0.582 -8.697 1.00 0.00 H HETATM 636 HG11 DVA C 8 4.871 -3.603 -8.517 1.00 0.00 H HETATM 637 HG12 DVA C 8 3.765 -2.392 -7.870 1.00 0.00 H HETATM 638 HG13 DVA C 8 3.937 -2.586 -9.614 1.00 0.00 H HETATM 639 HG21 DVA C 8 7.371 -2.369 -9.588 1.00 0.00 H HETATM 640 HG22 DVA C 8 5.963 -2.350 -10.647 1.00 0.00 H HETATM 641 HG23 DVA C 8 6.814 -0.849 -10.284 1.00 0.00 H ATOM 642 N PRO C 9 5.390 -2.600 -5.476 1.00 0.00 N ATOM 643 CA PRO C 9 6.501 -3.562 -5.430 1.00 0.00 C ATOM 644 C PRO C 9 6.364 -4.628 -6.509 1.00 0.00 C ATOM 645 O PRO C 9 5.277 -5.032 -6.874 1.00 0.00 O ATOM 646 CB PRO C 9 6.424 -4.117 -4.041 1.00 0.00 C ATOM 647 CG PRO C 9 4.935 -4.036 -3.722 1.00 0.00 C ATOM 648 CD PRO C 9 4.544 -2.672 -4.276 1.00 0.00 C ATOM 649 HA PRO C 9 7.420 -3.045 -5.547 1.00 0.00 H ATOM 650 HB2 PRO C 9 6.805 -5.120 -4.007 1.00 0.00 H ATOM 651 HB3 PRO C 9 6.974 -3.475 -3.388 1.00 0.00 H ATOM 652 HG2 PRO C 9 4.405 -4.802 -4.255 1.00 0.00 H ATOM 653 HG3 PRO C 9 4.752 -4.108 -2.666 1.00 0.00 H ATOM 654 HD2 PRO C 9 3.501 -2.640 -4.514 1.00 0.00 H ATOM 655 HD3 PRO C 9 4.816 -1.886 -3.598 1.00 0.00 H HETATM 656 N SAR C 10 7.473 -5.069 -7.029 1.00 0.00 N HETATM 657 CA SAR C 10 8.797 -4.612 -6.621 1.00 0.00 C HETATM 658 C SAR C 10 9.535 -3.980 -7.795 1.00 0.00 C HETATM 659 O SAR C 10 8.929 -3.516 -8.740 1.00 0.00 O HETATM 660 CN SAR C 10 7.539 -6.065 -8.161 1.00 0.00 C HETATM 661 HA2 SAR C 10 9.367 -5.451 -6.265 1.00 0.00 H HETATM 662 HA3 SAR C 10 8.704 -3.889 -5.830 1.00 0.00 H HETATM 663 HN1 SAR C 10 6.613 -6.635 -8.172 1.00 0.00 H HETATM 664 HN2 SAR C 10 8.422 -6.689 -8.069 1.00 0.00 H HETATM 665 HN3 SAR C 10 7.590 -5.459 -9.070 1.00 0.00 H HETATM 666 N MVA C 11 10.849 -3.978 -7.735 1.00 0.00 N HETATM 667 CN MVA C 11 11.621 -4.280 -6.476 1.00 0.00 C HETATM 668 CA MVA C 11 11.739 -3.457 -8.765 1.00 0.00 C HETATM 669 CB MVA C 11 11.192 -3.819 -10.150 1.00 0.00 C HETATM 670 CG1 MVA C 11 12.080 -3.219 -11.250 1.00 0.00 C HETATM 671 CG2 MVA C 11 11.165 -5.345 -10.292 1.00 0.00 C HETATM 672 C MVA C 11 11.895 -1.950 -8.649 1.00 0.00 C HETATM 673 O MVA C 11 12.663 -1.334 -9.360 1.00 0.00 O HETATM 674 HN1 MVA C 11 11.611 -3.320 -5.959 1.00 0.00 H HETATM 675 HN2 MVA C 11 12.642 -4.555 -6.713 1.00 0.00 H HETATM 676 HN3 MVA C 11 11.124 -5.031 -5.871 1.00 0.00 H HETATM 677 HA MVA C 11 12.711 -3.899 -8.642 1.00 0.00 H HETATM 678 HB MVA C 11 10.187 -3.426 -10.241 1.00 0.00 H HETATM 679 HG11 MVA C 11 13.081 -3.075 -10.870 1.00 0.00 H HETATM 680 HG12 MVA C 11 11.674 -2.267 -11.562 1.00 0.00 H HETATM 681 HG13 MVA C 11 12.110 -3.890 -12.096 1.00 0.00 H HETATM 682 HG21 MVA C 11 10.630 -5.775 -9.456 1.00 0.00 H HETATM 683 HG22 MVA C 11 12.177 -5.725 -10.303 1.00 0.00 H HETATM 684 HG23 MVA C 11 10.670 -5.614 -11.212 1.00 0.00 H TER 685 MVA C 11 CONECT 509 582 CONECT 511 522 CONECT 514 568 CONECT 522 511 523 529 CONECT 523 522 524 527 530 CONECT 524 523 525 526 531 CONECT 525 524 532 533 534 CONECT 526 524 535 536 537 CONECT 527 523 528 538 CONECT 528 527 CONECT 529 522 CONECT 530 523 CONECT 531 524 CONECT 532 525 CONECT 533 525 CONECT 534 525 CONECT 535 526 CONECT 536 526 CONECT 537 526 CONECT 538 527 CONECT 540 552 CONECT 552 540 553 556 CONECT 553 552 554 557 558 CONECT 554 553 555 562 CONECT 555 554 CONECT 556 552 559 560 561 CONECT 557 553 CONECT 558 553 CONECT 559 556 CONECT 560 556 CONECT 561 556 CONECT 562 554 563 564 CONECT 563 562 570 571 572 CONECT 564 562 565 568 573 CONECT 565 564 566 567 574 CONECT 566 565 575 576 577 CONECT 567 565 578 579 580 CONECT 568 514 564 569 CONECT 569 568 CONECT 570 563 CONECT 571 563 CONECT 572 563 CONECT 573 564 CONECT 574 565 CONECT 575 566 CONECT 576 566 CONECT 577 566 CONECT 578 567 CONECT 579 567 CONECT 580 567 CONECT 581 582 584 597 CONECT 582 509 581 583 CONECT 583 582 CONECT 584 581 585 586 CONECT 585 584 603 604 CONECT 586 584 587 588 CONECT 587 586 CONECT 588 586 598 601 CONECT 589 598 599 CONECT 590 591 599 602 CONECT 591 590 592 605 CONECT 592 591 593 606 CONECT 593 592 594 600 CONECT 594 593 595 613 CONECT 595 594 CONECT 596 597 600 CONECT 597 581 596 598 CONECT 598 588 589 597 CONECT 599 589 590 600 CONECT 600 593 596 599 CONECT 601 588 607 608 609 CONECT 602 590 610 611 612 CONECT 603 585 CONECT 604 585 CONECT 605 591 CONECT 606 592 CONECT 607 601 CONECT 608 601 CONECT 609 601 CONECT 610 602 CONECT 611 602 CONECT 612 602 CONECT 613 594 CONECT 615 626 CONECT 618 672 CONECT 626 615 627 633 CONECT 627 626 628 631 634 CONECT 628 627 629 630 635 CONECT 629 628 636 637 638 CONECT 630 628 639 640 641 CONECT 631 627 632 642 CONECT 632 631 CONECT 633 626 CONECT 634 627 CONECT 635 628 CONECT 636 629 CONECT 637 629 CONECT 638 629 CONECT 639 630 CONECT 640 630 CONECT 641 630 CONECT 642 631 CONECT 644 656 CONECT 656 644 657 660 CONECT 657 656 658 661 662 CONECT 658 657 659 666 CONECT 659 658 CONECT 660 656 663 664 665 CONECT 661 657 CONECT 662 657 CONECT 663 660 CONECT 664 660 CONECT 665 660 CONECT 666 658 667 668 CONECT 667 666 674 675 676 CONECT 668 666 669 672 677 CONECT 669 668 670 671 678 CONECT 670 669 679 680 681 CONECT 671 669 682 683 684 CONECT 672 618 668 673 CONECT 673 672 CONECT 674 667 CONECT 675 667 CONECT 676 667 CONECT 677 668 CONECT 678 669 CONECT 679 670 CONECT 680 670 CONECT 681 670 CONECT 682 671 CONECT 683 671 CONECT 684 671 MASTER 223 0 7 0 0 0 3 6 410 3 132 3 END