USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 hydrogens (60 hets) 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 *** AC1 10 DT A 3 DG A 4 DC A 5 DT A 6 SITE *** AC1 10 DT A 7 DT B 11 DG B 12 DC B 13 SITE *** 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: C 1 THR H1 : C 1 THR N : C 6 PXZ C :(NH2R) USER MOD NoAdj-H: C 1 THR H2 : C 1 THR N : C 6 PXZ C :(NH2R) USER MOD NoAdj-H: C 2 DVA H2 : C 2 DVA N : C 1 THR C :(H bumps) USER MOD NoAdj-H: C 4 SAR H : C 4 SAR N : C 3 PRO C :(H bumps) USER MOD NoAdj-H: C 5 MVA H : C 5 MVA N : C 4 SAR C :(H bumps) USER MOD NoAdj-H: C 6 PXZ H' : C 6 PXZ C' : C 7 THR N :(H bumps) USER MOD NoAdj-H: C 6 PXZ H : C 6 PXZ C : C 1 THR N :(H bumps) USER MOD NoAdj-H: C 8 DVA H2 : C 8 DVA N : C 7 THR C :(H bumps) USER MOD NoAdj-H: C 10 SAR H : C 10 SAR N : C 9 PRO C :(H bumps) USER MOD NoAdj-H: C 11 MVA H : C 11 MVA N : C 10 SAR C :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= -0.188 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0906) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.306 (180deg=-0.306) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot 180:sc= -0.188 USER MOD Single : B 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.46 (180deg=-0.46) USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD Single : C 1 THR N :NH3+ 180:sc= -2.92 (180deg=-2.92) USER MOD ----------------------------------------------------------------- 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 0 H5' DG A 1 15.886 14.380 8.875 1.00 0.00 H new ATOM 0 H5'' DG A 1 16.210 12.814 9.591 1.00 0.00 H new ATOM 0 H4' DG A 1 13.807 13.273 9.636 1.00 0.00 H new ATOM 0 H3' DG A 1 14.713 10.776 8.886 1.00 0.00 H new ATOM 0 H2' DG A 1 14.826 11.439 6.493 1.00 0.00 H new ATOM 0 H2'' DG A 1 13.317 10.557 6.621 1.00 0.00 H new ATOM 0 HO5' DG A 1 17.407 13.145 7.627 1.00 0.00 H new ATOM 0 H1' DG A 1 12.002 12.611 6.791 1.00 0.00 H new ATOM 0 H8 DG A 1 15.280 13.728 5.194 1.00 0.00 H new ATOM 0 H1 DG A 1 10.202 13.236 1.297 1.00 0.00 H new ATOM 0 H21 DG A 1 8.661 11.828 4.106 1.00 0.00 H new ATOM 0 H22 DG A 1 8.534 12.247 2.394 1.00 0.00 H new 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 0 H5' DA A 2 9.815 11.241 8.185 1.00 0.00 H new ATOM 0 H5'' DA A 2 9.523 9.826 9.177 1.00 0.00 H new ATOM 0 H4' DA A 2 7.793 10.158 7.592 1.00 0.00 H new ATOM 0 H3' DA A 2 9.009 7.628 8.000 1.00 0.00 H new ATOM 0 H2' DA A 2 10.247 7.741 5.970 1.00 0.00 H new ATOM 0 H2'' DA A 2 8.765 6.960 5.453 1.00 0.00 H new ATOM 0 H1' DA A 2 7.948 8.882 4.400 1.00 0.00 H new ATOM 0 H8 DA A 2 11.619 9.544 5.197 1.00 0.00 H new ATOM 0 H61 DA A 2 12.389 10.307 -0.851 1.00 0.00 H new ATOM 0 H62 DA A 2 13.166 10.364 0.735 1.00 0.00 H new ATOM 0 H2 DA A 2 8.119 9.179 -0.150 1.00 0.00 H new 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 0 H5' DT A 3 6.312 6.966 5.134 1.00 0.00 H new ATOM 0 H5'' DT A 3 5.636 5.352 5.219 1.00 0.00 H new ATOM 0 H4' DT A 3 6.585 5.569 3.177 1.00 0.00 H new ATOM 0 H3' DT A 3 8.402 3.955 5.071 1.00 0.00 H new ATOM 0 H2' DT A 3 9.963 3.808 3.210 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.662 3.754 2.037 1.00 0.00 H new ATOM 0 H1' DT A 3 8.797 6.078 1.713 1.00 0.00 H new ATOM 0 H3 DT A 3 13.019 7.249 0.843 1.00 0.00 H new ATOM 0 H71 DT A 3 14.127 6.494 5.418 1.00 0.00 H new ATOM 0 H72 DT A 3 12.766 7.536 5.897 1.00 0.00 H new ATOM 0 H73 DT A 3 12.626 5.767 6.040 1.00 0.00 H new ATOM 0 H6 DT A 3 10.764 5.549 4.700 1.00 0.00 H new 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 0 H5' DG A 4 6.525 3.212 2.619 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.085 3.850 1.849 1.00 0.00 H new ATOM 0 H4' DG A 4 4.207 1.620 1.473 1.00 0.00 H new ATOM 0 H3' DG A 4 6.126 0.746 3.578 1.00 0.00 H new ATOM 0 H2' DG A 4 7.412 -0.646 2.456 1.00 0.00 H new ATOM 0 H2'' DG A 4 6.135 -1.114 1.351 1.00 0.00 H new ATOM 0 H1' DG A 4 7.358 0.198 -0.156 1.00 0.00 H new ATOM 0 H8 DG A 4 8.780 0.796 3.155 1.00 0.00 H new ATOM 0 H1 DG A 4 11.824 3.987 -1.460 1.00 0.00 H new ATOM 0 H21 DG A 4 9.166 2.938 -3.448 1.00 0.00 H new ATOM 0 H22 DG A 4 10.717 3.780 -3.355 1.00 0.00 H new 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 0 H5' DC A 5 3.006 -3.712 1.567 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.724 -3.916 1.851 1.00 0.00 H new ATOM 0 H4' DC A 5 3.480 -3.025 -0.729 1.00 0.00 H new ATOM 0 H3' DC A 5 3.558 -5.668 0.359 1.00 0.00 H new ATOM 0 H2' DC A 5 5.600 -6.419 -0.070 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.297 -6.147 -1.775 1.00 0.00 H new ATOM 0 H1' DC A 5 6.797 -4.426 -1.747 1.00 0.00 H new ATOM 0 H41 DC A 5 11.185 -4.641 2.828 1.00 0.00 H new ATOM 0 H42 DC A 5 11.985 -4.491 1.260 1.00 0.00 H new ATOM 0 H5 DC A 5 8.711 -4.817 3.013 1.00 0.00 H new ATOM 0 H6 DC A 5 6.676 -5.350 1.697 1.00 0.00 H new 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 0 H5' DT A 6 2.899 -5.734 -4.354 1.00 0.00 H new ATOM 0 H5'' DT A 6 2.274 -7.292 -4.859 1.00 0.00 H new ATOM 0 H4' DT A 6 4.386 -6.645 -5.959 1.00 0.00 H new ATOM 0 H3' DT A 6 4.212 -9.147 -4.080 1.00 0.00 H new ATOM 0 H2' DT A 6 6.421 -9.438 -4.015 1.00 0.00 H new ATOM 0 H2'' DT A 6 6.528 -9.294 -5.758 1.00 0.00 H new ATOM 0 H1' DT A 6 7.050 -6.945 -5.618 1.00 0.00 H new ATOM 0 H3 DT A 6 11.063 -6.946 -3.729 1.00 0.00 H new ATOM 0 H71 DT A 6 7.338 -7.694 0.107 1.00 0.00 H new ATOM 0 H72 DT A 6 8.429 -9.095 -0.013 1.00 0.00 H new ATOM 0 H73 DT A 6 9.063 -7.515 0.507 1.00 0.00 H new ATOM 0 H6 DT A 6 6.632 -7.759 -2.139 1.00 0.00 H new 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 0 H5' DT A 7 5.089 -9.000 -8.000 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.709 -10.211 -9.209 1.00 0.00 H new ATOM 0 H4' DT A 7 6.861 -9.214 -9.631 1.00 0.00 H new ATOM 0 H3' DT A 7 6.508 -11.912 -9.835 1.00 0.00 H new ATOM 0 H2' DT A 7 7.585 -12.483 -7.761 1.00 0.00 H new ATOM 0 H2'' DT A 7 8.985 -12.402 -8.812 1.00 0.00 H new ATOM 0 H1' DT A 7 9.622 -10.282 -8.054 1.00 0.00 H new ATOM 0 H3 DT A 7 11.237 -10.428 -3.937 1.00 0.00 H new ATOM 0 H71 DT A 7 6.099 -12.025 -3.657 1.00 0.00 H new ATOM 0 H72 DT A 7 7.203 -13.357 -3.241 1.00 0.00 H new ATOM 0 H73 DT A 7 7.132 -11.906 -2.213 1.00 0.00 H new ATOM 0 H6 DT A 7 7.018 -11.686 -5.830 1.00 0.00 H new 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 0 H5' DC A 8 10.741 -10.718 -11.223 1.00 0.00 H new ATOM 0 H5'' DC A 8 11.257 -11.858 -12.450 1.00 0.00 H new ATOM 0 H4' DC A 8 13.085 -11.362 -11.019 1.00 0.00 H new ATOM 0 H3' DC A 8 11.999 -14.180 -10.843 1.00 0.00 H new ATOM 0 H2' DC A 8 13.404 -14.587 -8.907 1.00 0.00 H new ATOM 0 H2'' DC A 8 14.651 -13.510 -9.501 1.00 0.00 H new ATOM 0 HO3' DC A 8 13.900 -14.664 -11.847 1.00 0.00 H new ATOM 0 H1' DC A 8 13.866 -11.852 -8.120 1.00 0.00 H new ATOM 0 H41 DC A 8 9.657 -14.834 -3.911 1.00 0.00 H new ATOM 0 H42 DC A 8 10.921 -14.070 -2.940 1.00 0.00 H new ATOM 0 H5 DC A 8 9.604 -14.664 -6.350 1.00 0.00 H new ATOM 0 H6 DC A 8 10.898 -13.967 -8.337 1.00 0.00 H new 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 0 H5' DG B 9 19.487 -15.421 3.753 1.00 0.00 H new ATOM 0 H5'' DG B 9 20.215 -13.961 4.392 1.00 0.00 H new ATOM 0 H4' DG B 9 20.812 -14.229 2.035 1.00 0.00 H new ATOM 0 H3' DG B 9 20.050 -11.754 2.981 1.00 0.00 H new ATOM 0 H2' DG B 9 17.657 -12.191 2.459 1.00 0.00 H new ATOM 0 H2'' DG B 9 18.212 -11.209 1.118 1.00 0.00 H new ATOM 0 HO5' DG B 9 17.998 -14.199 5.052 1.00 0.00 H new ATOM 0 H1' DG B 9 18.548 -13.159 -0.317 1.00 0.00 H new ATOM 0 H8 DG B 9 16.123 -14.379 2.361 1.00 0.00 H new ATOM 0 H1 DG B 9 13.627 -13.117 -3.419 1.00 0.00 H new ATOM 0 H21 DG B 9 16.821 -11.864 -4.105 1.00 0.00 H new ATOM 0 H22 DG B 9 15.167 -12.106 -4.675 1.00 0.00 H new 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 0 H5' DA B 10 20.529 -11.761 -1.967 1.00 0.00 H new ATOM 0 H5'' DA B 10 21.663 -10.428 -1.873 1.00 0.00 H new ATOM 0 H4' DA B 10 20.529 -10.467 -3.958 1.00 0.00 H new ATOM 0 H3' DA B 10 20.812 -8.115 -2.409 1.00 0.00 H new ATOM 0 H2' DA B 10 18.524 -8.111 -1.718 1.00 0.00 H new ATOM 0 H2'' DA B 10 18.449 -7.167 -3.193 1.00 0.00 H new ATOM 0 H1' DA B 10 17.494 -8.920 -4.434 1.00 0.00 H new ATOM 0 H8 DA B 10 17.322 -9.919 -0.752 1.00 0.00 H new ATOM 0 H61 DA B 10 11.225 -10.176 -1.523 1.00 0.00 H new ATOM 0 H62 DA B 10 12.561 -10.435 -0.397 1.00 0.00 H new ATOM 0 H2 DA B 10 13.042 -8.829 -5.376 1.00 0.00 H new 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 0 H5' DT B 11 18.807 -7.644 -5.981 1.00 0.00 H new ATOM 0 H5'' DT B 11 19.261 -6.202 -6.866 1.00 0.00 H new ATOM 0 H4' DT B 11 17.028 -6.856 -7.160 1.00 0.00 H new ATOM 0 H3' DT B 11 17.708 -4.115 -6.538 1.00 0.00 H new ATOM 0 H2' DT B 11 16.096 -3.823 -4.879 1.00 0.00 H new ATOM 0 H2'' DT B 11 14.978 -3.886 -6.226 1.00 0.00 H new ATOM 0 H1' DT B 11 14.376 -6.054 -5.826 1.00 0.00 H new ATOM 0 H3 DT B 11 12.558 -6.340 -1.608 1.00 0.00 H new ATOM 0 H71 DT B 11 17.900 -5.867 -1.195 1.00 0.00 H new ATOM 0 H72 DT B 11 17.136 -4.471 -0.399 1.00 0.00 H new ATOM 0 H73 DT B 11 16.864 -6.113 0.231 1.00 0.00 H new ATOM 0 H6 DT B 11 16.924 -5.362 -3.313 1.00 0.00 H new 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 0 H5' DG B 12 14.977 -2.905 -9.478 1.00 0.00 H new ATOM 0 H5'' DG B 12 15.818 -1.504 -10.111 1.00 0.00 H new ATOM 0 H4' DG B 12 14.119 -0.969 -8.789 1.00 0.00 H new ATOM 0 H3' DG B 12 16.810 -0.271 -7.490 1.00 0.00 H new ATOM 0 H2' DG B 12 15.555 0.727 -5.730 1.00 0.00 H new ATOM 0 H2'' DG B 12 14.349 1.328 -6.850 1.00 0.00 H new ATOM 0 H1' DG B 12 12.956 -0.400 -6.339 1.00 0.00 H new ATOM 0 H8 DG B 12 16.102 -0.741 -4.237 1.00 0.00 H new ATOM 0 H1 DG B 12 11.033 -3.714 -1.733 1.00 0.00 H new ATOM 0 H21 DG B 12 9.492 -2.883 -4.739 1.00 0.00 H new ATOM 0 H22 DG B 12 9.360 -3.651 -3.154 1.00 0.00 H new 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 0 H5' DC B 13 14.227 2.923 -8.723 1.00 0.00 H new ATOM 0 H5'' DC B 13 15.255 4.218 -9.305 1.00 0.00 H new ATOM 0 H4' DC B 13 13.135 4.870 -8.059 1.00 0.00 H new ATOM 0 H3' DC B 13 15.991 5.818 -7.395 1.00 0.00 H new ATOM 0 H2' DC B 13 15.158 6.936 -5.577 1.00 0.00 H new ATOM 0 H2'' DC B 13 13.695 7.385 -6.431 1.00 0.00 H new ATOM 0 H1' DC B 13 12.531 5.580 -5.525 1.00 0.00 H new ATOM 0 H41 DC B 13 15.676 5.025 0.232 1.00 0.00 H new ATOM 0 H42 DC B 13 13.935 4.934 0.519 1.00 0.00 H new ATOM 0 H5 DC B 13 16.610 5.250 -2.038 1.00 0.00 H new ATOM 0 H6 DC B 13 16.039 5.390 -4.437 1.00 0.00 H new 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 0 H5' DT B 14 12.372 7.181 -8.912 1.00 0.00 H new ATOM 0 H5'' DT B 14 12.164 8.791 -9.574 1.00 0.00 H new ATOM 0 H4' DT B 14 10.100 7.932 -8.531 1.00 0.00 H new ATOM 0 H3' DT B 14 11.359 10.536 -7.660 1.00 0.00 H new ATOM 0 H2' DT B 14 10.493 10.409 -5.552 1.00 0.00 H new ATOM 0 H2'' DT B 14 8.929 9.959 -6.203 1.00 0.00 H new ATOM 0 H1' DT B 14 9.212 7.807 -5.541 1.00 0.00 H new ATOM 0 H3 DT B 14 10.797 7.442 -1.197 1.00 0.00 H new ATOM 0 H71 DT B 14 14.849 8.722 -4.502 1.00 0.00 H new ATOM 0 H72 DT B 14 14.632 9.973 -3.255 1.00 0.00 H new ATOM 0 H73 DT B 14 15.119 8.326 -2.789 1.00 0.00 H new ATOM 0 H6 DT B 14 12.639 8.953 -5.343 1.00 0.00 H new 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 0 H5' DT B 15 7.519 10.235 -8.326 1.00 0.00 H new ATOM 0 H5'' DT B 15 6.512 11.562 -8.872 1.00 0.00 H new ATOM 0 H4' DT B 15 5.506 10.454 -6.993 1.00 0.00 H new ATOM 0 H3' DT B 15 5.585 13.178 -7.111 1.00 0.00 H new ATOM 0 H2' DT B 15 7.378 13.464 -5.530 1.00 0.00 H new ATOM 0 H2'' DT B 15 6.017 13.378 -4.429 1.00 0.00 H new ATOM 0 H1' DT B 15 6.438 11.158 -3.840 1.00 0.00 H new ATOM 0 H3 DT B 15 10.034 10.769 -1.301 1.00 0.00 H new ATOM 0 H71 DT B 15 11.670 12.751 -6.032 1.00 0.00 H new ATOM 0 H72 DT B 15 11.909 13.940 -4.729 1.00 0.00 H new ATOM 0 H73 DT B 15 12.807 12.403 -4.708 1.00 0.00 H new ATOM 0 H6 DT B 15 9.320 12.550 -5.687 1.00 0.00 H new 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 0 H5' DC B 16 3.130 11.790 -3.469 1.00 0.00 H new ATOM 0 H5'' DC B 16 1.899 12.994 -3.146 1.00 0.00 H new ATOM 0 H4' DC B 16 2.802 12.224 -1.090 1.00 0.00 H new ATOM 0 H3' DC B 16 3.439 15.092 -1.817 1.00 0.00 H new ATOM 0 H2' DC B 16 4.998 15.202 0.039 1.00 0.00 H new ATOM 0 H2'' DC B 16 4.041 14.088 0.996 1.00 0.00 H new ATOM 0 HO3' DC B 16 2.039 15.514 -0.169 1.00 0.00 H new ATOM 0 H1' DC B 16 5.447 12.379 0.399 1.00 0.00 H new ATOM 0 H41 DC B 16 10.761 15.274 -2.377 1.00 0.00 H new ATOM 0 H42 DC B 16 11.338 14.324 -1.003 1.00 0.00 H new ATOM 0 H5 DC B 16 8.405 15.335 -3.023 1.00 0.00 H new ATOM 0 H6 DC B 16 6.116 14.731 -2.311 1.00 0.00 H new 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 0 H3 THR C 1 7.715 -0.593 -1.798 1.00 0.00 H new ATOM 0 HA THR C 1 6.711 -0.533 -3.964 1.00 0.00 H new ATOM 0 HB THR C 1 4.660 0.736 -3.362 1.00 0.00 H new ATOM 0 HG21 THR C 1 4.172 -0.438 -1.197 1.00 0.00 H new ATOM 0 HG22 THR C 1 5.018 -1.502 -2.346 1.00 0.00 H new ATOM 0 HG23 THR C 1 5.912 -0.754 -1.001 1.00 0.00 H new 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 0 HG23 DVA C 2 4.024 2.066 -5.165 1.00 0.00 H new HETATM 0 HG22 DVA C 2 4.201 3.835 -5.264 1.00 0.00 H new HETATM 0 HG21 DVA C 2 2.955 3.009 -6.231 1.00 0.00 H new HETATM 0 HG13 DVA C 2 5.098 4.878 -7.398 1.00 0.00 H new HETATM 0 HG12 DVA C 2 5.576 3.829 -8.753 1.00 0.00 H new HETATM 0 HG11 DVA C 2 3.856 4.019 -8.339 1.00 0.00 H new HETATM 0 HB DVA C 2 4.738 1.860 -7.539 1.00 0.00 H new HETATM 0 HA DVA C 2 6.689 3.567 -5.889 1.00 0.00 H new HETATM 0 H DVA C 2 5.470 1.012 -5.275 1.00 0.00 H new 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 0 HA PRO C 3 8.574 4.049 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO C 3 9.689 5.947 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO C 3 10.505 5.248 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO C 3 11.107 4.400 -8.909 1.00 0.00 H new ATOM 0 HG3 PRO C 3 11.077 3.259 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO C 3 8.972 3.715 -9.726 1.00 0.00 H new ATOM 0 HD3 PRO C 3 9.489 2.201 -9.010 1.00 0.00 H new 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 0 HN3 SAR C 4 5.214 6.891 -5.034 1.00 0.00 H new HETATM 0 HN2 SAR C 4 6.499 8.102 -5.259 1.00 0.00 H new HETATM 0 HN1 SAR C 4 5.683 7.397 -6.675 1.00 0.00 H new HETATM 0 HA3 SAR C 4 8.541 5.270 -4.459 1.00 0.00 H new HETATM 0 HA2 SAR C 4 7.784 6.725 -3.840 1.00 0.00 H new 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 0 HG23 MVA C 5 3.244 3.957 -1.035 1.00 0.00 H new HETATM 0 HG22 MVA C 5 4.048 3.624 0.517 1.00 0.00 H new HETATM 0 HG21 MVA C 5 3.189 5.163 0.273 1.00 0.00 H new HETATM 0 HG13 MVA C 5 5.646 6.633 -2.090 1.00 0.00 H new HETATM 0 HG12 MVA C 5 4.186 5.736 -2.572 1.00 0.00 H new HETATM 0 HG11 MVA C 5 4.112 6.898 -1.227 1.00 0.00 H new HETATM 0 HN3 MVA C 5 7.774 5.893 -0.921 1.00 0.00 H new HETATM 0 HN2 MVA C 5 8.620 4.344 -1.153 1.00 0.00 H new HETATM 0 HN1 MVA C 5 8.768 5.631 -2.374 1.00 0.00 H new HETATM 0 HB MVA C 5 5.663 5.460 0.088 1.00 0.00 H new HETATM 0 HA MVA C 5 6.578 3.467 -0.668 1.00 0.00 H new 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 0 HN22 PXZ C 6 7.741 -2.631 1.494 1.00 0.00 H new HETATM 0 HN21 PXZ C 6 7.135 -2.255 -0.123 1.00 0.00 H new HETATM 0 H163 PXZ C 6 16.195 1.217 -1.839 1.00 0.00 H new HETATM 0 H162 PXZ C 6 15.562 2.714 -1.114 1.00 0.00 H new HETATM 0 H161 PXZ C 6 15.100 1.134 -0.439 1.00 0.00 H new HETATM 0 H153 PXZ C 6 12.137 -0.191 2.859 1.00 0.00 H new HETATM 0 H152 PXZ C 6 12.815 -1.756 2.353 1.00 0.00 H new HETATM 0 H151 PXZ C 6 13.426 -0.247 1.633 1.00 0.00 H new HETATM 0 H8 PXZ C 6 13.172 2.716 -5.389 1.00 0.00 H new HETATM 0 H7 PXZ C 6 15.078 2.787 -3.856 1.00 0.00 H new 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 0 HA THR C 7 9.195 1.235 -6.997 1.00 0.00 H new ATOM 0 HB THR C 7 9.607 -0.539 -8.813 1.00 0.00 H new ATOM 0 HG21 THR C 7 11.822 0.324 -9.515 1.00 0.00 H new ATOM 0 HG22 THR C 7 10.749 1.628 -8.954 1.00 0.00 H new ATOM 0 HG23 THR C 7 12.050 1.028 -7.897 1.00 0.00 H new 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 0 HG23 DVA C 8 7.303 -1.067 -9.884 1.00 0.00 H new HETATM 0 HG22 DVA C 8 6.927 -2.806 -9.845 1.00 0.00 H new HETATM 0 HG21 DVA C 8 5.916 -1.698 -10.803 1.00 0.00 H new HETATM 0 HG13 DVA C 8 4.881 -3.620 -8.628 1.00 0.00 H new HETATM 0 HG12 DVA C 8 3.820 -2.455 -7.801 1.00 0.00 H new HETATM 0 HG11 DVA C 8 3.867 -2.510 -9.580 1.00 0.00 H new HETATM 0 HB DVA C 8 5.162 -0.581 -8.719 1.00 0.00 H new HETATM 0 HA DVA C 8 6.836 -2.731 -7.325 1.00 0.00 H new HETATM 0 H DVA C 8 7.651 -0.156 -8.261 1.00 0.00 H new 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 0 HA PRO C 9 7.472 -3.111 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO C 9 6.792 -5.142 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO C 9 7.020 -3.533 -3.339 1.00 0.00 H new ATOM 0 HG2 PRO C 9 4.375 -4.841 -4.198 1.00 0.00 H new ATOM 0 HG3 PRO C 9 4.747 -4.106 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO C 9 3.482 -2.614 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO C 9 4.756 -1.866 -3.574 1.00 0.00 H new 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 0 HN3 SAR C 10 8.019 -5.604 -9.024 1.00 0.00 H new HETATM 0 HN2 SAR C 10 8.116 -6.935 -7.847 1.00 0.00 H new HETATM 0 HN1 SAR C 10 6.530 -6.377 -8.431 1.00 0.00 H new HETATM 0 HA3 SAR C 10 8.704 -3.888 -5.812 1.00 0.00 H new HETATM 0 HA2 SAR C 10 9.373 -5.452 -6.233 1.00 0.00 H new 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 0 HG23 MVA C 11 12.175 -5.739 -10.181 1.00 0.00 H new HETATM 0 HG22 MVA C 11 10.523 -5.771 -9.521 1.00 0.00 H new HETATM 0 HG21 MVA C 11 10.777 -5.612 -11.275 1.00 0.00 H new HETATM 0 HG13 MVA C 11 12.101 -2.134 -11.149 1.00 0.00 H new HETATM 0 HG12 MVA C 11 13.092 -3.612 -11.155 1.00 0.00 H new HETATM 0 HG11 MVA C 11 11.678 -3.485 -12.228 1.00 0.00 H new HETATM 0 HN3 MVA C 11 12.389 -5.023 -6.690 1.00 0.00 H new HETATM 0 HN2 MVA C 11 12.091 -3.367 -6.110 1.00 0.00 H new HETATM 0 HN1 MVA C 11 10.942 -4.668 -5.717 1.00 0.00 H new HETATM 0 HB MVA C 11 10.185 -3.415 -10.254 1.00 0.00 H new HETATM 0 HA MVA C 11 12.721 -3.909 -8.628 1.00 0.00 H new 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 END