USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 346 hydrogens (162 hets) HEADER DNA 22-JUL-92 1D83 TITLE STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER/DNA OLIGOMER TITLE 2 COMPLEX IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*AP*AP*GP*GP*CP*CP*TP*T)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALY SYNTHESIZED KEYWDS DNA, NMR, DOUBLE HELIX, CHROMOMYCIN EXPDTA SOLUTION NMR AUTHOR X.GAO,P.MIRAU,D.J.PATEL REVDAT 3 24-FEB-09 1D83 1 VERSN REVDAT 2 01-APR-03 1D83 1 JRNL REVDAT 1 15-JUL-93 1D83 0 JRNL AUTH X.L.GAO,P.MIRAU,D.J.PATEL JRNL TITL STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER-DNA JRNL TITL 2 OLIGOMER COMPLEX IN SOLUTION. JRNL REF J.MOL.BIOL. V. 223 259 1992 JRNL REFN ISSN 0022-2836 JRNL PMID 1731073 JRNL DOI 10.1016/0022-2836(92)90730-8 REMARK 1 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 1D83 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) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: CHROMOMYCIN BINDS AS A MG2 CATION-COORDINATED DIMER. REMARK 210 EACH CHROMOMYCIN IS REPRESENTED AS A SET OF SIX HET GROUPS: REMARK 210 1GL - ARI - CPH - CDR - CDR - ERI. THE COORDINATING MG IS REMARK 210 PRESENTED AS A SEPARATE HET GROUP. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DA A 1 C5' DA A 1 C4' 0.046 REMARK 500 DA A 1 C2' DA A 1 C1' 0.085 REMARK 500 DA A 1 O4' DA A 1 C1' 0.066 REMARK 500 DA A 1 O4' DA A 1 C4' 0.054 REMARK 500 DA A 1 C6 DA A 1 N1 -0.048 REMARK 500 DA A 1 C8 DA A 1 N9 -0.079 REMARK 500 DA A 1 N9 DA A 1 C4 0.045 REMARK 500 DA A 2 C5' DA A 2 C4' 0.043 REMARK 500 DA A 2 C5 DA A 2 N7 0.039 REMARK 500 DA A 2 N9 DA A 2 C4 0.048 REMARK 500 DG A 3 C4' DG A 3 C3' 0.074 REMARK 500 DG A 3 C2' DG A 3 C1' 0.172 REMARK 500 DG A 4 P DG A 4 O5' 0.087 REMARK 500 DG A 4 C4' DG A 4 C3' 0.060 REMARK 500 DG A 4 N3 DG A 4 C4 0.134 REMARK 500 DG A 4 C5 DG A 4 N7 0.040 REMARK 500 DG A 4 C8 DG A 4 N9 0.049 REMARK 500 DG A 4 N9 DG A 4 C4 0.088 REMARK 500 DG A 3 O3' DG A 4 P 0.081 REMARK 500 DC A 5 C5' DC A 5 C4' 0.058 REMARK 500 DC A 6 C5' DC A 6 C4' 0.063 REMARK 500 DC A 6 O4' DC A 6 C1' 0.073 REMARK 500 DC A 6 O4' DC A 6 C4' 0.058 REMARK 500 DT A 7 C5' DT A 7 C4' 0.125 REMARK 500 DT A 7 C3' DT A 7 C2' 0.082 REMARK 500 DT A 7 O4' DT A 7 C1' 0.067 REMARK 500 DT A 7 C4 DT A 7 C5 0.056 REMARK 500 DT A 7 C5 DT A 7 C7 0.147 REMARK 500 DA B 11 C5' DA B 11 C4' 0.045 REMARK 500 DA B 11 C2' DA B 11 C1' 0.084 REMARK 500 DA B 11 O4' DA B 11 C1' 0.066 REMARK 500 DA B 11 O4' DA B 11 C4' 0.054 REMARK 500 DA B 11 C6 DA B 11 N1 -0.049 REMARK 500 DA B 11 C8 DA B 11 N9 -0.078 REMARK 500 DA B 11 N9 DA B 11 C4 0.043 REMARK 500 DA B 12 C5' DA B 12 C4' 0.047 REMARK 500 DA B 12 C5 DA B 12 C6 0.054 REMARK 500 DA B 12 C5 DA B 12 N7 0.038 REMARK 500 DA B 12 N9 DA B 12 C4 0.046 REMARK 500 DG B 13 C4' DG B 13 C3' 0.075 REMARK 500 DG B 13 C2' DG B 13 C1' 0.165 REMARK 500 DG B 14 P DG B 14 O5' 0.088 REMARK 500 DG B 14 C4' DG B 14 C3' 0.082 REMARK 500 DG B 14 N3 DG B 14 C4 0.137 REMARK 500 DG B 14 C5 DG B 14 N7 0.040 REMARK 500 DG B 14 N9 DG B 14 C4 0.088 REMARK 500 DG B 13 O3' DG B 14 P 0.081 REMARK 500 DC B 15 C5' DC B 15 C4' 0.055 REMARK 500 DC B 16 C5' DC B 16 C4' 0.065 REMARK 500 DC B 16 O4' DC B 16 C1' 0.070 REMARK 500 REMARK 500 THIS ENTRY HAS 55 BOND DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA A 1 C1' - O4' - C4' ANGL. DEV. = 5.2 DEGREES REMARK 500 DA A 1 O4' - C1' - C2' ANGL. DEV. = -8.7 DEGREES REMARK 500 DA A 1 O4' - C1' - N9 ANGL. DEV. = 14.8 DEGREES REMARK 500 DA A 1 N1 - C2 - N3 ANGL. DEV. = 4.5 DEGREES REMARK 500 DA A 1 C5 - N7 - C8 ANGL. DEV. = -5.4 DEGREES REMARK 500 DA A 1 N7 - C8 - N9 ANGL. DEV. = 11.7 DEGREES REMARK 500 DA A 1 C8 - N9 - C4 ANGL. DEV. = -7.3 DEGREES REMARK 500 DA A 1 C4 - N9 - C1' ANGL. DEV. = 11.8 DEGREES REMARK 500 DA A 2 C5' - C4' - O4' ANGL. DEV. = 7.4 DEGREES REMARK 500 DA A 2 C4' - C3' - O3' ANGL. DEV. = -23.9 DEGREES REMARK 500 DA A 2 N9 - C1' - C2' ANGL. DEV. = 8.7 DEGREES REMARK 500 DA A 2 O4' - C1' - N9 ANGL. DEV. = 13.5 DEGREES REMARK 500 DA A 2 N1 - C6 - N6 ANGL. DEV. = -6.0 DEGREES REMARK 500 DA A 2 C5 - C6 - N6 ANGL. DEV. = 5.4 DEGREES REMARK 500 DG A 3 C3' - C2' - C1' ANGL. DEV. = 9.2 DEGREES REMARK 500 DG A 3 O4' - C1' - C2' ANGL. DEV. = -10.2 DEGREES REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 11.9 DEGREES REMARK 500 DG A 3 C5 - N7 - C8 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG A 3 N7 - C8 - N9 ANGL. DEV. = 6.3 DEGREES REMARK 500 DG A 3 C8 - N9 - C4 ANGL. DEV. = -5.9 DEGREES REMARK 500 DG A 3 C8 - N9 - C1' ANGL. DEV. = 8.1 DEGREES REMARK 500 DA A 2 C3' - O3' - P ANGL. DEV. = 13.8 DEGREES REMARK 500 DG A 4 O4' - C1' - C2' ANGL. DEV. = 3.1 DEGREES REMARK 500 DG A 4 N9 - C1' - C2' ANGL. DEV. = -15.0 DEGREES REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 DG A 4 C2 - N3 - C4 ANGL. DEV. = -3.9 DEGREES REMARK 500 DG A 4 C4 - C5 - N7 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG A 4 C5 - N7 - C8 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG A 4 N7 - C8 - N9 ANGL. DEV. = -5.7 DEGREES REMARK 500 DG A 4 C8 - N9 - C4 ANGL. DEV. = 5.5 DEGREES REMARK 500 DG A 4 N9 - C4 - C5 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 4 N3 - C4 - N9 ANGL. DEV. = 7.1 DEGREES REMARK 500 DG A 3 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES REMARK 500 DC A 5 O4' - C4' - C3' ANGL. DEV. = -3.5 DEGREES REMARK 500 DC A 5 O4' - C1' - C2' ANGL. DEV. = -5.4 DEGREES REMARK 500 DC A 5 O4' - C1' - N1 ANGL. DEV. = 11.5 DEGREES REMARK 500 DC A 6 C1' - O4' - C4' ANGL. DEV. = 5.6 DEGREES REMARK 500 DC A 6 O4' - C1' - C2' ANGL. DEV. = -10.4 DEGREES REMARK 500 DC A 6 O4' - C1' - N1 ANGL. DEV. = 9.6 DEGREES REMARK 500 DC A 6 N3 - C4 - N4 ANGL. DEV. = 6.7 DEGREES REMARK 500 DC A 6 C5 - C4 - N4 ANGL. DEV. = -5.4 DEGREES REMARK 500 DT A 7 C1' - O4' - C4' ANGL. DEV. = 7.6 DEGREES REMARK 500 DT A 7 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 9.7 DEGREES REMARK 500 DT A 7 N3 - C4 - O4 ANGL. DEV. = -5.0 DEGREES REMARK 500 DT A 7 C5 - C4 - O4 ANGL. DEV. = 5.7 DEGREES REMARK 500 DT A 7 C4 - C5 - C7 ANGL. DEV. = 6.2 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -5.6 DEGREES REMARK 500 DT A 8 C5' - C4' - C3' ANGL. DEV. = 8.2 DEGREES REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 21.1 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 105 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA A 1 0.10 SIDE_CHAIN REMARK 500 DC A 5 0.07 SIDE_CHAIN REMARK 500 DC A 6 0.09 SIDE_CHAIN REMARK 500 DA B 11 0.10 SIDE_CHAIN REMARK 500 DC B 15 0.07 SIDE_CHAIN REMARK 500 DC B 16 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG B 1 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CPH B 23 O1 REMARK 620 2 CPH A 33 O1 108.8 REMARK 620 3 CPH B 23 O9 80.4 109.5 REMARK 620 4 CPH A 33 O9 105.3 76.7 170.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1GL B 21 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARI B 22 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CDR A 24 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CDR A 25 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ERI A 26 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1GL A 31 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARI A 32 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CDR B 34 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CDR B 35 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ERI B 36 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B 1 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CPH B 23 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CPH A 33 DBREF 1D83 A 1 8 PDB 1D83 1D83 1 8 DBREF 1D83 B 11 18 PDB 1D83 1D83 11 18 SEQRES 1 A 8 DA DA DG DG DC DC DT DT SEQRES 1 B 8 DA DA DG DG DC DC DT DT HET 1GL B 21 24 HET ARI B 22 24 HET CDR A 24 19 HET CDR A 25 19 HET ERI A 26 29 HET 1GL A 31 24 HET ARI A 32 24 HET CDR B 34 19 HET CDR B 35 19 HET ERI B 36 29 HET MG B 1 1 HET CPH B 23 49 HET CPH A 33 49 HETNAM 1GL 4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE HETNAM ARI [O4]-ACETOXY-2,3-DIDEOXYFUCOSE HETNAM CDR 2,3-DIDEOXYFUCOSE HETNAM ERI 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO- HETNAM 2 ERI HEXOPYRANOSE HETNAM MG MAGNESIUM ION HETNAM CPH 1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO- HETNAM 2 CPH PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE FORMUL 3 1GL 2(C7 H14 O4) FORMUL 3 ARI 2(C8 H14 O4) FORMUL 4 CDR 4(C6 H12 O3) FORMUL 4 ERI 2(C9 H16 O5) FORMUL 7 MG MG 2+ FORMUL 8 CPH 2(C21 H24 O7) LINK OGL ERI A 26 C3 CDR A 25 1555 1555 1.44 LINK OGL ERI B 36 C3 CDR B 35 1555 1555 1.44 LINK C3 ARI B 22 O1 1GL B 21 1555 1555 1.45 LINK O1 1GL A 31 C3 ARI A 32 1555 1555 1.45 LINK C3 CDR B 34 OGL CDR B 35 1555 1555 1.45 LINK C3 CDR A 24 OGL CDR A 25 1555 1555 1.45 LINK OGL ARI A 32 C6 CPH A 33 1555 1555 1.39 LINK MG MG B 1 O1 CPH B 23 1555 1555 1.89 LINK MG MG B 1 O1 CPH A 33 1555 1555 1.89 LINK MG MG B 1 O9 CPH B 23 1555 1555 1.95 LINK MG MG B 1 O9 CPH A 33 1555 1555 2.07 LINK OGL ARI B 22 C6 CPH B 23 1555 1555 1.39 LINK C2 CPH B 23 OGL CDR A 24 1555 1555 1.43 LINK OGL CDR B 34 C2 CPH A 33 1555 1555 1.43 SITE *** AC1 2 DC B 15 ARI B 22 SITE *** AC2 2 1GL B 21 CPH B 23 SITE *** AC3 3 CDR A 25 DC B 16 CPH B 23 SITE *** AC4 3 CDR A 24 ERI A 26 ARI A 32 SITE *** AC5 5 DG A 3 CDR A 25 CPH A 33 DT B 17 SITE *** AC5 5 DT B 18 SITE *** AC6 3 DG A 4 DC A 5 ARI A 32 SITE *** AC7 3 CDR A 25 1GL A 31 CPH A 33 SITE *** AC8 3 DC A 6 CPH A 33 CDR B 35 SITE *** AC9 2 CDR B 34 ERI B 36 SITE *** BC1 5 DT A 7 DT A 8 DG B 13 CPH B 23 SITE *** BC1 5 CDR B 35 SITE *** BC2 4 DG A 4 CPH A 33 DG B 14 CPH B 23 SITE *** BC3 8 CDR A 24 CPH A 33 MG B 1 DG B 14 SITE *** BC3 8 DC B 15 DC B 16 ARI B 22 ERI B 36 SITE *** BC4 8 DG A 4 DC A 5 DC A 6 ERI A 26 SITE *** BC4 8 ARI A 32 MG B 1 CPH B 23 CDR B 34 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 22 ARI H31 : B 22 ARI C3 : B 21 1GL O1 :(H bumps) USER MOD NoAdj-H: A 24 CDR H31 : A 24 CDR C3 : A 25 CDR OGL :(H bumps) USER MOD NoAdj-H: A 25 CDR H31 : A 25 CDR C3 : A 26 ERI OGL :(H bumps) USER MOD NoAdj-H: A 32 ARI H31 : A 32 ARI C3 : A 31 1GL O1 :(H bumps) USER MOD NoAdj-H: B 34 CDR H31 : B 34 CDR C3 : B 35 CDR OGL :(H bumps) USER MOD NoAdj-H: B 35 CDR H31 : B 35 CDR C3 : B 36 ERI OGL :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.35 (180deg=-0.35) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : A 24 CDR O4 : rot 35:sc= 0.218 USER MOD Single : A 25 CDR O4 : rot 29:sc= 0.0709 USER MOD Single : A 26 ERI O3 : rot 56:sc= 0.337 USER MOD Single : A 31 1GL O3 : rot 180:sc= 0 USER MOD Single : A 33 CPH O3' : rot 105:sc= 0.329 USER MOD Single : A 33 CPH O4' : rot 180:sc= 0.292 USER MOD Single : A 33 CPH O8 : rot 46:sc= 0.834 USER MOD Single : B 11 DA O5' : rot 180:sc= 0 USER MOD Single : B 17 DT C7 :methyl 150:sc= -0.308 (180deg=-0.308) USER MOD Single : B 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT O3' : rot 180:sc= 0 USER MOD Single : B 21 1GL O3 : rot 180:sc= 0 USER MOD Single : B 23 CPH O3' : rot 110:sc= 0.315 USER MOD Single : B 23 CPH O4' : rot 180:sc= 0.278 USER MOD Single : B 23 CPH O8 : rot 63:sc= 0.681! USER MOD Single : B 34 CDR O4 : rot 32:sc= 0.233 USER MOD Single : B 35 CDR O4 : rot 29:sc= 0.0818 USER MOD Single : B 36 ERI O3 : rot 55:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -9.065 -14.876 -6.372 1.00 0.03 O ATOM 2 C5' DA A 1 -10.276 -15.188 -5.641 1.00 0.03 C ATOM 3 C4' DA A 1 -10.184 -14.643 -4.184 1.00 0.01 C ATOM 4 O4' DA A 1 -9.049 -15.283 -3.434 1.00 0.01 O ATOM 5 C3' DA A 1 -9.895 -13.145 -4.162 1.00 0.01 C ATOM 6 O3' DA A 1 -10.775 -12.477 -3.249 1.00 0.01 O ATOM 7 C2' DA A 1 -8.387 -13.102 -3.864 1.00 0.07 C ATOM 8 C1' DA A 1 -8.009 -14.349 -2.929 1.00 0.02 C ATOM 9 N9 DA A 1 -6.509 -14.756 -2.752 1.00 0.01 N ATOM 10 C8 DA A 1 -5.774 -15.106 -3.758 1.00 0.01 C ATOM 11 N7 DA A 1 -4.494 -15.162 -3.760 1.00 0.01 N ATOM 12 C5 DA A 1 -4.274 -14.833 -2.447 1.00 0.01 C ATOM 13 C6 DA A 1 -3.080 -14.827 -1.706 1.00 0.01 C ATOM 14 N6 DA A 1 -1.848 -14.949 -2.185 1.00 0.01 N ATOM 15 N1 DA A 1 -3.175 -14.654 -0.418 1.00 0.01 N ATOM 16 C2 DA A 1 -4.364 -14.489 0.081 1.00 0.01 C ATOM 17 N3 DA A 1 -5.594 -14.415 -0.454 1.00 0.01 N ATOM 18 C4 DA A 1 -5.482 -14.606 -1.785 1.00 0.01 C ATOM 0 H5' DA A 1 -10.431 -16.267 -5.624 1.00 0.03 H new ATOM 0 H5'' DA A 1 -11.137 -14.750 -6.146 1.00 0.03 H new ATOM 0 H4' DA A 1 -11.147 -14.867 -3.725 1.00 0.01 H new ATOM 0 H3' DA A 1 -10.095 -12.595 -5.082 1.00 0.01 H new ATOM 0 H2' DA A 1 -7.818 -13.140 -4.793 1.00 0.07 H new ATOM 0 H2'' DA A 1 -8.127 -12.166 -3.369 1.00 0.07 H new ATOM 0 HO5' DA A 1 -9.135 -15.225 -7.285 1.00 0.03 H new ATOM 0 H1' DA A 1 -8.040 -14.201 -1.850 1.00 0.02 H new ATOM 0 H8 DA A 1 -6.282 -15.373 -4.673 1.00 0.01 H new ATOM 0 H61 DA A 1 -1.050 -14.931 -1.550 1.00 0.01 H new ATOM 0 H62 DA A 1 -1.700 -15.061 -3.188 1.00 0.01 H new ATOM 0 H2 DA A 1 -4.363 -14.390 1.156 1.00 0.01 H new ATOM 31 P DA A 2 -10.568 -10.943 -2.800 1.00 0.01 P ATOM 32 OP1 DA A 2 -11.890 -10.321 -2.575 1.00 0.01 O ATOM 33 OP2 DA A 2 -9.581 -10.289 -3.694 1.00 0.01 O ATOM 34 O5' DA A 2 -9.866 -11.208 -1.388 1.00 0.01 O ATOM 35 C5' DA A 2 -10.556 -11.674 -0.210 1.00 0.03 C ATOM 36 C4' DA A 2 -9.667 -11.218 0.982 1.00 0.03 C ATOM 37 O4' DA A 2 -8.293 -11.729 1.029 1.00 0.01 O ATOM 38 C3' DA A 2 -9.529 -9.720 1.374 1.00 0.03 C ATOM 39 O3' DA A 2 -9.792 -10.158 2.721 1.00 0.00 O ATOM 40 C2' DA A 2 -8.024 -9.371 1.252 1.00 0.06 C ATOM 41 C1' DA A 2 -7.340 -10.639 0.901 1.00 0.05 C ATOM 42 N9 DA A 2 -6.212 -10.706 -0.030 1.00 0.01 N ATOM 43 C8 DA A 2 -6.321 -10.735 -1.355 1.00 0.00 C ATOM 44 N7 DA A 2 -5.145 -10.777 -1.985 1.00 0.01 N ATOM 45 C5 DA A 2 -4.175 -10.770 -0.938 1.00 0.01 C ATOM 46 C6 DA A 2 -2.718 -10.756 -0.859 1.00 0.00 C ATOM 47 N6 DA A 2 -1.817 -10.732 -1.852 1.00 0.00 N ATOM 48 N1 DA A 2 -2.148 -10.713 0.357 1.00 0.00 N ATOM 49 C2 DA A 2 -2.886 -10.676 1.447 1.00 0.01 C ATOM 50 N3 DA A 2 -4.230 -10.685 1.508 1.00 0.01 N ATOM 51 C4 DA A 2 -4.822 -10.731 0.267 1.00 0.01 C ATOM 0 H5' DA A 2 -10.673 -12.758 -0.224 1.00 0.03 H new ATOM 0 H5'' DA A 2 -11.556 -11.246 -0.143 1.00 0.03 H new ATOM 0 H4' DA A 2 -10.339 -11.695 1.696 1.00 0.03 H new ATOM 0 H3' DA A 2 -10.076 -8.905 0.901 1.00 0.03 H new ATOM 0 H2' DA A 2 -7.860 -8.613 0.486 1.00 0.06 H new ATOM 0 H2'' DA A 2 -7.640 -8.966 2.188 1.00 0.06 H new ATOM 0 H1' DA A 2 -6.535 -10.777 1.623 1.00 0.05 H new ATOM 0 H8 DA A 2 -7.269 -10.725 -1.871 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.820 -10.725 -1.636 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.129 -10.721 -2.823 1.00 0.00 H new ATOM 0 H2 DA A 2 -2.358 -10.634 2.388 1.00 0.01 H new ATOM 63 P DG A 3 -10.561 -9.508 3.952 1.00 0.00 P ATOM 64 OP1 DG A 3 -10.864 -10.578 4.931 1.00 0.01 O ATOM 65 OP2 DG A 3 -11.632 -8.616 3.457 1.00 0.01 O ATOM 66 O5' DG A 3 -9.340 -8.642 4.482 1.00 0.00 O ATOM 67 C5' DG A 3 -8.494 -8.999 5.580 1.00 0.01 C ATOM 68 C4' DG A 3 -7.354 -7.955 5.652 1.00 0.02 C ATOM 69 O4' DG A 3 -6.413 -8.313 4.566 1.00 0.00 O ATOM 70 C3' DG A 3 -7.974 -6.538 5.232 1.00 0.01 C ATOM 71 O3' DG A 3 -8.108 -5.457 6.229 1.00 0.00 O ATOM 72 C2' DG A 3 -6.851 -6.034 4.286 1.00 0.01 C ATOM 73 C1' DG A 3 -5.623 -7.182 4.104 1.00 0.00 C ATOM 74 N9 DG A 3 -4.861 -7.267 2.790 1.00 0.00 N ATOM 75 C8 DG A 3 -5.211 -7.306 1.466 1.00 0.01 C ATOM 76 N7 DG A 3 -4.313 -7.526 0.587 1.00 0.01 N ATOM 77 C5 DG A 3 -3.199 -7.623 1.365 1.00 0.01 C ATOM 78 C6 DG A 3 -1.897 -7.794 0.942 1.00 0.01 C ATOM 79 O6 DG A 3 -1.541 -8.050 -0.192 1.00 0.01 O ATOM 80 N1 DG A 3 -1.016 -7.746 1.983 1.00 0.01 N ATOM 81 C2 DG A 3 -1.364 -7.568 3.301 1.00 0.01 C ATOM 82 N2 DG A 3 -0.366 -7.493 4.166 1.00 0.01 N ATOM 83 N3 DG A 3 -2.621 -7.427 3.726 1.00 0.00 N ATOM 84 C4 DG A 3 -3.491 -7.457 2.695 1.00 0.00 C ATOM 0 H5' DG A 3 -8.087 -10.001 5.440 1.00 0.01 H new ATOM 0 H5'' DG A 3 -9.060 -9.012 6.511 1.00 0.01 H new ATOM 0 H4' DG A 3 -6.892 -7.924 6.639 1.00 0.02 H new ATOM 0 H3' DG A 3 -8.998 -6.711 4.903 1.00 0.01 H new ATOM 0 H2' DG A 3 -7.276 -5.798 3.310 1.00 0.01 H new ATOM 0 H2'' DG A 3 -6.429 -5.110 4.682 1.00 0.01 H new ATOM 0 H1' DG A 3 -4.690 -6.995 4.636 1.00 0.00 H new ATOM 0 H8 DG A 3 -6.238 -7.152 1.169 1.00 0.01 H new ATOM 0 H1 DG A 3 -0.025 -7.850 1.767 1.00 0.01 H new ATOM 0 H21 DG A 3 -0.560 -7.361 5.159 1.00 0.01 H new ATOM 0 H22 DG A 3 0.598 -7.567 3.840 1.00 0.01 H new ATOM 96 P DG A 4 -8.223 -3.801 5.924 1.00 0.00 P ATOM 97 OP1 DG A 4 -8.980 -3.212 7.052 1.00 0.00 O ATOM 98 OP2 DG A 4 -8.767 -3.651 4.555 1.00 0.00 O ATOM 99 O5' DG A 4 -6.721 -3.049 5.917 1.00 0.01 O ATOM 100 C5' DG A 4 -5.810 -3.096 7.050 1.00 0.01 C ATOM 101 C4' DG A 4 -4.280 -3.008 6.905 1.00 0.00 C ATOM 102 O4' DG A 4 -3.896 -3.692 5.725 1.00 0.00 O ATOM 103 C3' DG A 4 -3.785 -1.519 6.654 1.00 0.00 C ATOM 104 O3' DG A 4 -3.426 -0.777 7.843 1.00 0.00 O ATOM 105 C2' DG A 4 -2.462 -1.712 5.869 1.00 0.01 C ATOM 106 C1' DG A 4 -2.663 -3.122 5.252 1.00 0.00 C ATOM 107 N9 DG A 4 -2.729 -2.723 3.893 1.00 0.01 N ATOM 108 C8 DG A 4 -3.943 -2.630 3.157 1.00 0.03 C ATOM 109 N7 DG A 4 -3.634 -2.321 1.933 1.00 0.00 N ATOM 110 C5 DG A 4 -2.214 -2.190 1.857 1.00 0.01 C ATOM 111 C6 DG A 4 -1.448 -1.846 0.720 1.00 0.00 C ATOM 112 O6 DG A 4 -1.848 -1.675 -0.428 1.00 0.00 O ATOM 113 N1 DG A 4 -0.095 -1.755 0.981 1.00 0.00 N ATOM 114 C2 DG A 4 0.521 -1.964 2.207 1.00 0.00 C ATOM 115 N2 DG A 4 1.839 -1.763 2.252 1.00 0.00 N ATOM 116 N3 DG A 4 -0.112 -2.315 3.354 1.00 0.01 N ATOM 117 C4 DG A 4 -1.564 -2.413 3.065 1.00 0.01 C ATOM 0 H5' DG A 4 -6.017 -4.029 7.574 1.00 0.01 H new ATOM 0 H5'' DG A 4 -6.104 -2.285 7.716 1.00 0.01 H new ATOM 0 H4' DG A 4 -3.858 -3.415 7.824 1.00 0.00 H new ATOM 0 H3' DG A 4 -4.588 -0.961 6.173 1.00 0.00 H new ATOM 0 H2' DG A 4 -2.324 -0.947 5.105 1.00 0.01 H new ATOM 0 H2'' DG A 4 -1.590 -1.671 6.521 1.00 0.01 H new ATOM 0 H1' DG A 4 -1.918 -3.886 5.475 1.00 0.00 H new ATOM 0 H8 DG A 4 -4.939 -2.787 3.544 1.00 0.03 H new ATOM 0 H1 DG A 4 0.510 -1.511 0.197 1.00 0.00 H new ATOM 0 H21 DG A 4 2.346 -1.901 3.126 1.00 0.00 H new ATOM 0 H22 DG A 4 2.339 -1.471 1.412 1.00 0.00 H new ATOM 129 P DC A 5 -3.123 0.833 7.890 1.00 0.00 P ATOM 130 OP1 DC A 5 -2.762 1.171 9.287 1.00 0.00 O ATOM 131 OP2 DC A 5 -4.270 1.520 7.256 1.00 0.00 O ATOM 132 O5' DC A 5 -1.808 1.152 6.990 1.00 0.00 O ATOM 133 C5' DC A 5 -0.471 1.020 7.507 1.00 0.01 C ATOM 134 C4' DC A 5 0.641 1.309 6.437 1.00 0.01 C ATOM 135 O4' DC A 5 0.565 0.528 5.184 1.00 0.00 O ATOM 136 C3' DC A 5 0.587 2.708 5.905 1.00 0.00 C ATOM 137 O3' DC A 5 1.082 3.749 6.749 1.00 0.00 O ATOM 138 C2' DC A 5 1.517 2.532 4.676 1.00 0.00 C ATOM 139 C1' DC A 5 0.967 1.326 4.008 1.00 0.00 C ATOM 140 N1 DC A 5 -0.024 1.602 2.924 1.00 0.00 N ATOM 141 C2 DC A 5 0.465 2.124 1.739 1.00 0.00 C ATOM 142 O2 DC A 5 1.607 2.572 1.687 1.00 0.00 O ATOM 143 N3 DC A 5 -0.371 2.206 0.669 1.00 0.00 N ATOM 144 C4 DC A 5 -1.648 1.815 0.752 1.00 0.00 C ATOM 145 N4 DC A 5 -2.431 1.855 -0.325 1.00 0.00 N ATOM 146 C5 DC A 5 -2.165 1.314 1.974 1.00 0.00 C ATOM 147 C6 DC A 5 -1.322 1.228 3.010 1.00 0.00 C ATOM 0 H5' DC A 5 -0.337 0.010 7.896 1.00 0.01 H new ATOM 0 H5'' DC A 5 -0.344 1.704 8.346 1.00 0.01 H new ATOM 0 H4' DC A 5 1.529 1.062 7.019 1.00 0.01 H new ATOM 0 H3' DC A 5 -0.438 3.041 5.745 1.00 0.00 H new ATOM 0 H2' DC A 5 1.489 3.403 4.022 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.556 2.390 4.974 1.00 0.00 H new ATOM 0 H1' DC A 5 1.656 0.769 3.373 1.00 0.00 H new ATOM 0 H41 DC A 5 -3.404 1.556 -0.259 1.00 0.00 H new ATOM 0 H42 DC A 5 -2.057 2.184 -1.215 1.00 0.00 H new ATOM 0 H5 DC A 5 -3.198 1.014 2.065 1.00 0.00 H new ATOM 0 H6 DC A 5 -1.691 0.846 3.950 1.00 0.00 H new ATOM 159 P DC A 6 0.686 5.282 6.395 1.00 0.00 P ATOM 160 OP1 DC A 6 1.036 6.134 7.553 1.00 0.00 O ATOM 161 OP2 DC A 6 -0.692 5.305 5.855 1.00 0.00 O ATOM 162 O5' DC A 6 1.702 5.612 5.185 1.00 0.00 O ATOM 163 C5' DC A 6 3.106 5.567 5.447 1.00 0.02 C ATOM 164 C4' DC A 6 4.051 5.680 4.192 1.00 0.00 C ATOM 165 O4' DC A 6 3.565 4.889 3.005 1.00 0.00 O ATOM 166 C3' DC A 6 4.080 7.152 3.673 1.00 0.00 C ATOM 167 O3' DC A 6 5.263 7.862 4.066 1.00 0.00 O ATOM 168 C2' DC A 6 4.273 6.862 2.157 1.00 0.02 C ATOM 169 C1' DC A 6 3.362 5.664 1.745 1.00 0.01 C ATOM 170 N1 DC A 6 1.950 5.987 1.337 1.00 0.00 N ATOM 171 C2 DC A 6 1.693 6.452 0.035 1.00 0.00 C ATOM 172 O2 DC A 6 2.605 6.863 -0.682 1.00 0.00 O ATOM 173 N3 DC A 6 0.408 6.450 -0.428 1.00 0.00 N ATOM 174 C4 DC A 6 -0.592 6.008 0.347 1.00 0.00 C ATOM 175 N4 DC A 6 -1.870 5.936 -0.030 1.00 0.00 N ATOM 176 C5 DC A 6 -0.340 5.562 1.643 1.00 0.01 C ATOM 177 C6 DC A 6 0.917 5.590 2.101 1.00 0.00 C ATOM 0 H5' DC A 6 3.329 4.632 5.961 1.00 0.02 H new ATOM 0 H5'' DC A 6 3.352 6.375 6.135 1.00 0.02 H new ATOM 0 H4' DC A 6 5.016 5.310 4.537 1.00 0.00 H new ATOM 0 H3' DC A 6 3.224 7.736 4.012 1.00 0.00 H new ATOM 0 H2' DC A 6 4.020 7.745 1.570 1.00 0.02 H new ATOM 0 H2'' DC A 6 5.317 6.629 1.949 1.00 0.02 H new ATOM 0 H1' DC A 6 3.605 5.149 0.815 1.00 0.01 H new ATOM 0 H41 DC A 6 -2.575 5.587 0.620 1.00 0.00 H new ATOM 0 H42 DC A 6 -2.142 6.230 -0.968 1.00 0.00 H new ATOM 0 H5 DC A 6 -1.144 5.200 2.266 1.00 0.01 H new ATOM 0 H6 DC A 6 1.108 5.283 3.119 1.00 0.00 H new ATOM 189 P DT A 7 5.265 9.484 4.188 1.00 0.00 P ATOM 190 OP1 DT A 7 6.595 9.888 4.698 1.00 0.00 O ATOM 191 OP2 DT A 7 4.053 9.875 4.942 1.00 0.00 O ATOM 192 O5' DT A 7 5.104 10.070 2.675 1.00 0.00 O ATOM 193 C5' DT A 7 6.212 10.461 1.838 1.00 0.00 C ATOM 194 C4' DT A 7 5.726 11.203 0.462 1.00 0.01 C ATOM 195 O4' DT A 7 4.700 10.388 -0.265 1.00 0.00 O ATOM 196 C3' DT A 7 5.070 12.624 0.491 1.00 0.01 C ATOM 197 O3' DT A 7 5.797 13.309 -0.539 1.00 0.00 O ATOM 198 C2' DT A 7 3.552 12.395 0.039 1.00 0.02 C ATOM 199 C1' DT A 7 3.483 11.083 -0.763 1.00 0.00 C ATOM 200 N1 DT A 7 2.118 10.382 -0.575 1.00 0.00 N ATOM 201 C2 DT A 7 1.244 10.358 -1.668 1.00 0.00 C ATOM 202 O2 DT A 7 1.567 10.757 -2.787 1.00 0.00 O ATOM 203 N3 DT A 7 -0.032 9.841 -1.438 1.00 0.00 N ATOM 204 C4 DT A 7 -0.539 9.348 -0.232 1.00 0.00 C ATOM 205 O4 DT A 7 -1.738 9.029 -0.261 1.00 0.00 O ATOM 206 C5 DT A 7 0.437 9.375 0.908 1.00 0.00 C ATOM 207 C7 DT A 7 0.102 8.927 2.453 1.00 0.01 C ATOM 208 C6 DT A 7 1.691 9.880 0.655 1.00 0.01 C ATOM 0 H5' DT A 7 6.800 9.579 1.583 1.00 0.00 H new ATOM 0 H5'' DT A 7 6.867 11.130 2.396 1.00 0.00 H new ATOM 0 H4' DT A 7 6.710 11.312 0.006 1.00 0.01 H new ATOM 0 H3' DT A 7 5.091 13.159 1.441 1.00 0.01 H new ATOM 0 H2' DT A 7 2.899 12.343 0.910 1.00 0.02 H new ATOM 0 H2'' DT A 7 3.206 13.231 -0.569 1.00 0.02 H new ATOM 0 H1' DT A 7 3.505 11.159 -1.850 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.664 9.821 -2.238 1.00 0.00 H new ATOM 0 H71 DT A 7 1.005 8.537 2.923 1.00 0.01 H new ATOM 0 H72 DT A 7 -0.254 9.791 3.013 1.00 0.01 H new ATOM 0 H73 DT A 7 -0.668 8.155 2.449 1.00 0.01 H new ATOM 0 H6 DT A 7 2.399 9.889 1.470 1.00 0.01 H new ATOM 221 P DT A 8 5.701 14.885 -0.846 1.00 0.00 P ATOM 222 OP1 DT A 8 7.075 15.389 -1.071 1.00 0.00 O ATOM 223 OP2 DT A 8 4.846 15.517 0.184 1.00 0.00 O ATOM 224 O5' DT A 8 4.904 14.913 -2.247 1.00 0.01 O ATOM 225 C5' DT A 8 5.521 14.636 -3.515 1.00 0.03 C ATOM 226 C4' DT A 8 4.530 14.716 -4.669 1.00 0.01 C ATOM 227 O4' DT A 8 3.564 13.668 -4.290 1.00 0.00 O ATOM 228 C3' DT A 8 3.692 15.979 -5.003 1.00 0.01 C ATOM 229 O3' DT A 8 3.355 15.943 -6.394 1.00 0.01 O ATOM 230 C2' DT A 8 2.480 15.677 -4.195 1.00 0.00 C ATOM 231 C1' DT A 8 2.223 14.205 -4.344 1.00 0.00 C ATOM 232 N1 DT A 8 1.055 13.936 -3.446 1.00 0.00 N ATOM 233 C2 DT A 8 -0.053 13.338 -4.080 1.00 0.01 C ATOM 234 O2 DT A 8 -0.077 13.084 -5.284 1.00 0.01 O ATOM 235 N3 DT A 8 -1.146 13.041 -3.298 1.00 0.00 N ATOM 236 C4 DT A 8 -1.223 13.243 -1.940 1.00 0.00 C ATOM 237 O4 DT A 8 -2.262 12.944 -1.355 1.00 0.00 O ATOM 238 C5 DT A 8 -0.038 13.855 -1.343 1.00 0.00 C ATOM 239 C7 DT A 8 0.046 13.961 0.174 1.00 0.01 C ATOM 240 C6 DT A 8 1.039 14.224 -2.085 1.00 0.01 C ATOM 0 H5' DT A 8 5.967 13.642 -3.490 1.00 0.03 H new ATOM 0 H5'' DT A 8 6.331 15.345 -3.685 1.00 0.03 H new ATOM 0 H4' DT A 8 5.143 14.659 -5.569 1.00 0.01 H new ATOM 0 H3' DT A 8 4.163 16.942 -4.806 1.00 0.01 H new ATOM 0 H2' DT A 8 2.636 15.939 -3.149 1.00 0.00 H new ATOM 0 H2'' DT A 8 1.626 16.257 -4.545 1.00 0.00 H new ATOM 0 HO3' DT A 8 2.823 16.734 -6.622 1.00 0.01 H new ATOM 0 H1' DT A 8 1.841 13.691 -5.226 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.962 12.640 -3.761 1.00 0.00 H new ATOM 0 H71 DT A 8 1.090 13.917 0.485 1.00 0.01 H new ATOM 0 H72 DT A 8 -0.390 14.906 0.497 1.00 0.01 H new ATOM 0 H73 DT A 8 -0.502 13.135 0.627 1.00 0.01 H new ATOM 0 H6 DT A 8 1.872 14.734 -1.624 1.00 0.01 H new TER 254 DT A 8 ATOM 255 O5' DA B 11 -11.605 11.843 -7.039 1.00 0.03 O ATOM 256 C5' DA B 11 -11.551 12.021 -8.475 1.00 0.03 C ATOM 257 C4' DA B 11 -10.142 11.638 -9.017 1.00 0.01 C ATOM 258 O4' DA B 11 -9.075 12.520 -8.431 1.00 0.01 O ATOM 259 C3' DA B 11 -9.758 10.215 -8.623 1.00 0.00 C ATOM 260 O3' DA B 11 -9.243 9.501 -9.753 1.00 0.01 O ATOM 261 C2' DA B 11 -8.814 10.444 -7.430 1.00 0.06 C ATOM 262 C1' DA B 11 -8.019 11.817 -7.657 1.00 0.02 C ATOM 263 N9 DA B 11 -7.255 12.476 -6.461 1.00 0.01 N ATOM 264 C8 DA B 11 -7.868 12.846 -5.382 1.00 0.01 C ATOM 265 N7 DA B 11 -7.306 13.107 -4.261 1.00 0.01 N ATOM 266 C5 DA B 11 -6.000 12.941 -4.645 1.00 0.01 C ATOM 267 C6 DA B 11 -4.814 13.199 -3.938 1.00 0.01 C ATOM 268 N6 DA B 11 -4.702 13.472 -2.644 1.00 0.01 N ATOM 269 N1 DA B 11 -3.697 13.133 -4.604 1.00 0.01 N ATOM 270 C2 DA B 11 -3.768 12.827 -5.865 1.00 0.01 C ATOM 271 N3 DA B 11 -4.772 12.502 -6.690 1.00 0.01 N ATOM 272 C4 DA B 11 -5.922 12.587 -5.992 1.00 0.01 C ATOM 0 H5' DA B 11 -11.776 13.057 -8.728 1.00 0.03 H new ATOM 0 H5'' DA B 11 -12.312 11.404 -8.953 1.00 0.03 H new ATOM 0 H4' DA B 11 -10.204 11.747 -10.100 1.00 0.01 H new ATOM 0 H3' DA B 11 -10.572 9.557 -8.317 1.00 0.00 H new ATOM 0 H2' DA B 11 -9.383 10.486 -6.501 1.00 0.06 H new ATOM 0 H2'' DA B 11 -8.114 9.613 -7.338 1.00 0.06 H new ATOM 0 HO5' DA B 11 -12.496 12.089 -6.712 1.00 0.03 H new ATOM 0 H1' DA B 11 -7.059 11.767 -8.171 1.00 0.02 H new ATOM 0 H8 DA B 11 -8.943 12.943 -5.431 1.00 0.01 H new ATOM 0 H61 DA B 11 -3.783 13.643 -2.237 1.00 0.01 H new ATOM 0 H62 DA B 11 -5.535 13.510 -2.057 1.00 0.01 H new ATOM 0 H2 DA B 11 -2.806 12.837 -6.356 1.00 0.01 H new ATOM 285 P DA B 12 -8.513 8.070 -9.626 1.00 0.01 P ATOM 286 OP1 DA B 12 -8.809 7.266 -10.831 1.00 0.01 O ATOM 287 OP2 DA B 12 -8.756 7.503 -8.277 1.00 0.01 O ATOM 288 O5' DA B 12 -6.996 8.574 -9.691 1.00 0.01 O ATOM 289 C5' DA B 12 -6.343 9.023 -10.895 1.00 0.02 C ATOM 290 C4' DA B 12 -4.813 8.857 -10.648 1.00 0.02 C ATOM 291 O4' DA B 12 -4.247 9.569 -9.489 1.00 0.02 O ATOM 292 C3' DA B 12 -4.176 7.439 -10.531 1.00 0.03 C ATOM 293 O3' DA B 12 -3.178 7.941 -11.433 1.00 0.00 O ATOM 294 C2' DA B 12 -3.565 7.320 -9.120 1.00 0.05 C ATOM 295 C1' DA B 12 -3.765 8.637 -8.476 1.00 0.05 C ATOM 296 N9 DA B 12 -4.087 8.801 -7.056 1.00 0.01 N ATOM 297 C8 DA B 12 -5.300 8.688 -6.532 1.00 0.00 C ATOM 298 N7 DA B 12 -5.341 8.860 -5.214 1.00 0.01 N ATOM 299 C5 DA B 12 -3.985 9.108 -4.849 1.00 0.01 C ATOM 300 C6 DA B 12 -3.261 9.337 -3.602 1.00 0.00 C ATOM 301 N6 DA B 12 -3.729 9.365 -2.345 1.00 0.00 N ATOM 302 N1 DA B 12 -1.927 9.504 -3.657 1.00 0.00 N ATOM 303 C2 DA B 12 -1.296 9.452 -4.812 1.00 0.01 C ATOM 304 N3 DA B 12 -1.844 9.247 -6.026 1.00 0.01 N ATOM 305 C4 DA B 12 -3.208 9.077 -5.975 1.00 0.01 C ATOM 0 H5' DA B 12 -6.592 10.062 -11.109 1.00 0.02 H new ATOM 0 H5'' DA B 12 -6.665 8.435 -11.755 1.00 0.02 H new ATOM 0 H4' DA B 12 -4.554 9.295 -11.612 1.00 0.02 H new ATOM 0 H3' DA B 12 -4.715 6.506 -10.698 1.00 0.03 H new ATOM 0 H2' DA B 12 -4.052 6.529 -8.550 1.00 0.05 H new ATOM 0 H2'' DA B 12 -2.506 7.069 -9.174 1.00 0.05 H new ATOM 0 H1' DA B 12 -2.795 8.962 -8.100 1.00 0.05 H new ATOM 0 H8 DA B 12 -6.178 8.475 -7.124 1.00 0.00 H new ATOM 0 H61 DA B 12 -3.092 9.539 -1.567 1.00 0.00 H new ATOM 0 H62 DA B 12 -4.722 9.212 -2.167 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.225 9.588 -4.783 1.00 0.01 H new ATOM 317 P DG B 13 -2.340 7.293 -12.616 1.00 0.00 P ATOM 318 OP1 DG B 13 -1.782 8.387 -13.445 1.00 0.01 O ATOM 319 OP2 DG B 13 -3.115 6.197 -13.238 1.00 0.01 O ATOM 320 O5' DG B 13 -1.190 6.688 -11.701 1.00 0.00 O ATOM 321 C5' DG B 13 0.098 7.279 -11.505 1.00 0.01 C ATOM 322 C4' DG B 13 0.835 6.446 -10.429 1.00 0.01 C ATOM 323 O4' DG B 13 0.243 6.848 -9.133 1.00 0.00 O ATOM 324 C3' DG B 13 0.416 4.912 -10.637 1.00 0.01 C ATOM 325 O3' DG B 13 1.402 3.922 -11.108 1.00 0.00 O ATOM 326 C2' DG B 13 0.158 4.511 -9.158 1.00 0.01 C ATOM 327 C1' DG B 13 0.353 5.819 -8.115 1.00 0.00 C ATOM 328 N9 DG B 13 -0.460 5.905 -6.833 1.00 0.00 N ATOM 329 C8 DG B 13 -1.777 5.765 -6.522 1.00 0.00 C ATOM 330 N7 DG B 13 -2.193 6.044 -5.352 1.00 0.01 N ATOM 331 C5 DG B 13 -1.027 6.390 -4.743 1.00 0.00 C ATOM 332 C6 DG B 13 -0.846 6.728 -3.417 1.00 0.01 C ATOM 333 O6 DG B 13 -1.725 6.920 -2.590 1.00 0.01 O ATOM 334 N1 DG B 13 0.473 6.919 -3.120 1.00 0.01 N ATOM 335 C2 DG B 13 1.506 6.813 -4.024 1.00 0.01 C ATOM 336 N2 DG B 13 2.725 6.980 -3.537 1.00 0.01 N ATOM 337 N3 DG B 13 1.341 6.511 -5.314 1.00 0.00 N ATOM 338 C4 DG B 13 0.040 6.306 -5.604 1.00 0.00 C ATOM 0 H5' DG B 13 -0.001 8.316 -11.185 1.00 0.01 H new ATOM 0 H5'' DG B 13 0.662 7.286 -12.437 1.00 0.01 H new ATOM 0 H4' DG B 13 1.915 6.585 -10.477 1.00 0.01 H new ATOM 0 H3' DG B 13 -0.355 4.885 -11.407 1.00 0.01 H new ATOM 0 H2' DG B 13 -0.853 4.114 -9.059 1.00 0.01 H new ATOM 0 H2'' DG B 13 0.843 3.713 -8.873 1.00 0.01 H new ATOM 0 H1' DG B 13 1.264 5.833 -7.516 1.00 0.00 H new ATOM 0 H8 DG B 13 -2.472 5.416 -7.271 1.00 0.00 H new ATOM 0 H1 DG B 13 0.711 7.158 -2.157 1.00 0.01 H new ATOM 0 H21 DG B 13 3.534 6.914 -4.154 1.00 0.01 H new ATOM 0 H22 DG B 13 2.855 7.175 -2.544 1.00 0.01 H new ATOM 350 P DG B 14 1.340 2.248 -10.902 1.00 0.00 P ATOM 351 OP1 DG B 14 2.088 1.653 -12.033 1.00 0.00 O ATOM 352 OP2 DG B 14 -0.085 1.885 -10.729 1.00 0.00 O ATOM 353 O5' DG B 14 2.124 1.754 -9.500 1.00 0.00 O ATOM 354 C5' DG B 14 3.521 2.058 -9.239 1.00 0.01 C ATOM 355 C4' DG B 14 4.121 2.224 -7.827 1.00 0.01 C ATOM 356 O4' DG B 14 3.128 2.826 -6.997 1.00 0.00 O ATOM 357 C3' DG B 14 4.330 0.795 -7.113 1.00 0.01 C ATOM 358 O3' DG B 14 5.652 0.232 -7.271 1.00 0.00 O ATOM 359 C2' DG B 14 4.191 1.116 -5.597 1.00 0.01 C ATOM 360 C1' DG B 14 3.340 2.411 -5.634 1.00 0.00 C ATOM 361 N9 DG B 14 2.181 1.887 -5.015 1.00 0.01 N ATOM 362 C8 DG B 14 1.009 1.536 -5.727 1.00 0.02 C ATOM 363 N7 DG B 14 0.113 1.165 -4.861 1.00 0.00 N ATOM 364 C5 DG B 14 0.701 1.257 -3.563 1.00 0.01 C ATOM 365 C6 DG B 14 0.097 0.937 -2.326 1.00 0.00 C ATOM 366 O6 DG B 14 -1.067 0.601 -2.125 1.00 0.00 O ATOM 367 N1 DG B 14 0.947 1.091 -1.248 1.00 0.00 N ATOM 368 C2 DG B 14 2.269 1.509 -1.297 1.00 0.00 C ATOM 369 N2 DG B 14 2.929 1.530 -0.138 1.00 0.00 N ATOM 370 N3 DG B 14 2.945 1.858 -2.419 1.00 0.01 N ATOM 371 C4 DG B 14 2.023 1.692 -3.574 1.00 0.01 C ATOM 0 H5' DG B 14 3.735 2.985 -9.771 1.00 0.01 H new ATOM 0 H5'' DG B 14 4.099 1.272 -9.724 1.00 0.01 H new ATOM 0 H4' DG B 14 5.051 2.782 -7.934 1.00 0.01 H new ATOM 0 H3' DG B 14 3.625 0.082 -7.541 1.00 0.01 H new ATOM 0 H2' DG B 14 3.694 0.314 -5.051 1.00 0.01 H new ATOM 0 H2'' DG B 14 5.158 1.274 -5.120 1.00 0.01 H new ATOM 0 H1' DG B 14 3.747 3.305 -5.162 1.00 0.00 H new ATOM 0 H8 DG B 14 0.882 1.570 -6.799 1.00 0.02 H new ATOM 0 H1 DG B 14 0.566 0.877 -0.327 1.00 0.00 H new ATOM 0 H21 DG B 14 3.904 1.828 -0.112 1.00 0.00 H new ATOM 0 H22 DG B 14 2.459 1.248 0.722 1.00 0.00 H new ATOM 383 P DC B 15 6.083 -1.296 -6.865 1.00 0.00 P ATOM 384 OP1 DC B 15 7.527 -1.439 -7.162 1.00 0.00 O ATOM 385 OP2 DC B 15 5.119 -2.216 -7.510 1.00 0.00 O ATOM 386 O5' DC B 15 5.928 -1.481 -5.258 1.00 0.00 O ATOM 387 C5' DC B 15 6.958 -1.088 -4.331 1.00 0.01 C ATOM 388 C4' DC B 15 6.560 -1.292 -2.829 1.00 0.00 C ATOM 389 O4' DC B 15 5.301 -0.653 -2.392 1.00 0.00 O ATOM 390 C3' DC B 15 6.289 -2.724 -2.489 1.00 0.00 C ATOM 391 O3' DC B 15 7.418 -3.588 -2.342 1.00 0.00 O ATOM 392 C2' DC B 15 5.595 -2.517 -1.117 1.00 0.01 C ATOM 393 C1' DC B 15 4.571 -1.484 -1.412 1.00 0.00 C ATOM 394 N1 DC B 15 3.218 -2.015 -1.753 1.00 0.00 N ATOM 395 C2 DC B 15 2.475 -2.561 -0.720 1.00 0.00 C ATOM 396 O2 DC B 15 3.012 -2.823 0.352 1.00 0.00 O ATOM 397 N3 DC B 15 1.173 -2.877 -0.951 1.00 0.00 N ATOM 398 C4 DC B 15 0.612 -2.691 -2.151 1.00 0.00 C ATOM 399 N4 DC B 15 -0.679 -2.958 -2.335 1.00 0.00 N ATOM 400 C5 DC B 15 1.378 -2.167 -3.224 1.00 0.00 C ATOM 401 C6 DC B 15 2.653 -1.850 -2.972 1.00 0.00 C ATOM 0 H5' DC B 15 7.201 -0.038 -4.495 1.00 0.01 H new ATOM 0 H5'' DC B 15 7.861 -1.661 -4.540 1.00 0.01 H new ATOM 0 H4' DC B 15 7.430 -0.851 -2.342 1.00 0.00 H new ATOM 0 H3' DC B 15 5.742 -3.232 -3.283 1.00 0.00 H new ATOM 0 H2' DC B 15 5.144 -3.439 -0.750 1.00 0.01 H new ATOM 0 H2'' DC B 15 6.299 -2.181 -0.355 1.00 0.01 H new ATOM 0 H1' DC B 15 4.232 -0.886 -0.566 1.00 0.00 H new ATOM 0 H41 DC B 15 -1.104 -2.815 -3.251 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.243 -3.306 -1.560 1.00 0.00 H new ATOM 0 H5 DC B 15 0.949 -2.029 -4.205 1.00 0.00 H new ATOM 0 H6 DC B 15 3.255 -1.447 -3.773 1.00 0.00 H new ATOM 413 P DC B 16 7.170 -5.191 -2.372 1.00 0.00 P ATOM 414 OP1 DC B 16 8.480 -5.863 -2.517 1.00 0.00 O ATOM 415 OP2 DC B 16 6.081 -5.487 -3.331 1.00 0.00 O ATOM 416 O5' DC B 16 6.610 -5.465 -0.883 1.00 0.00 O ATOM 417 C5' DC B 16 7.462 -5.169 0.225 1.00 0.02 C ATOM 418 C4' DC B 16 6.797 -5.245 1.653 1.00 0.00 C ATOM 419 O4' DC B 16 5.412 -4.657 1.695 1.00 0.00 O ATOM 420 C3' DC B 16 6.584 -6.734 2.071 1.00 0.00 C ATOM 421 O3' DC B 16 7.574 -7.204 2.996 1.00 0.00 O ATOM 422 C2' DC B 16 5.299 -6.554 2.929 1.00 0.02 C ATOM 423 C1' DC B 16 4.341 -5.573 2.180 1.00 0.01 C ATOM 424 N1 DC B 16 3.396 -6.152 1.161 1.00 0.00 N ATOM 425 C2 DC B 16 2.212 -6.769 1.583 1.00 0.00 C ATOM 426 O2 DC B 16 2.064 -7.093 2.756 1.00 0.00 O ATOM 427 N3 DC B 16 1.233 -7.015 0.665 1.00 0.00 N ATOM 428 C4 DC B 16 1.391 -6.674 -0.615 1.00 0.00 C ATOM 429 N4 DC B 16 0.478 -6.844 -1.571 1.00 0.00 N ATOM 430 C5 DC B 16 2.573 -6.078 -1.036 1.00 0.01 C ATOM 431 C6 DC B 16 3.542 -5.859 -0.141 1.00 0.01 C ATOM 0 H5' DC B 16 7.866 -4.166 0.088 1.00 0.02 H new ATOM 0 H5'' DC B 16 8.306 -5.859 0.203 1.00 0.02 H new ATOM 0 H4' DC B 16 7.476 -4.695 2.305 1.00 0.00 H new ATOM 0 H3' DC B 16 6.583 -7.414 1.219 1.00 0.00 H new ATOM 0 H2' DC B 16 4.810 -7.515 3.087 1.00 0.02 H new ATOM 0 H2'' DC B 16 5.552 -6.160 3.913 1.00 0.02 H new ATOM 0 H1' DC B 16 3.544 -5.123 2.772 1.00 0.01 H new ATOM 0 H41 DC B 16 0.681 -6.554 -2.528 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.424 -7.264 -1.346 1.00 0.00 H new ATOM 0 H5 DC B 16 2.707 -5.796 -2.070 1.00 0.01 H new ATOM 0 H6 DC B 16 4.475 -5.431 -0.477 1.00 0.01 H new ATOM 443 P DT B 17 7.937 -8.786 3.104 1.00 0.00 P ATOM 444 OP1 DT B 17 9.045 -8.919 4.077 1.00 0.00 O ATOM 445 OP2 DT B 17 8.121 -9.295 1.726 1.00 0.00 O ATOM 446 O5' DT B 17 6.624 -9.528 3.722 1.00 0.00 O ATOM 447 C5' DT B 17 6.452 -9.845 5.116 1.00 0.00 C ATOM 448 C4' DT B 17 5.127 -10.750 5.415 1.00 0.01 C ATOM 449 O4' DT B 17 3.906 -10.179 4.765 1.00 0.00 O ATOM 450 C3' DT B 17 5.076 -12.237 4.972 1.00 0.01 C ATOM 451 O3' DT B 17 4.615 -12.899 6.155 1.00 0.00 O ATOM 452 C2' DT B 17 3.981 -12.306 3.816 1.00 0.02 C ATOM 453 C1' DT B 17 3.036 -11.107 3.996 1.00 0.00 C ATOM 454 N1 DT B 17 2.472 -10.625 2.638 1.00 0.01 N ATOM 455 C2 DT B 17 1.119 -10.841 2.379 1.00 0.01 C ATOM 456 O2 DT B 17 0.341 -11.286 3.223 1.00 0.00 O ATOM 457 N3 DT B 17 0.673 -10.517 1.097 1.00 0.00 N ATOM 458 C4 DT B 17 1.429 -10.002 0.040 1.00 0.00 C ATOM 459 O4 DT B 17 0.823 -9.883 -1.034 1.00 0.00 O ATOM 460 C5 DT B 17 2.868 -9.768 0.368 1.00 0.00 C ATOM 461 C7 DT B 17 4.016 -9.244 -0.690 1.00 0.02 C ATOM 462 C6 DT B 17 3.270 -10.093 1.634 1.00 0.01 C ATOM 0 H5' DT B 17 6.387 -8.919 5.687 1.00 0.00 H new ATOM 0 H5'' DT B 17 7.334 -10.377 5.472 1.00 0.00 H new ATOM 0 H4' DT B 17 5.172 -10.724 6.504 1.00 0.01 H new ATOM 0 H3' DT B 17 6.007 -12.668 4.604 1.00 0.01 H new ATOM 0 H2' DT B 17 4.457 -12.274 2.836 1.00 0.02 H new ATOM 0 H2'' DT B 17 3.426 -13.242 3.870 1.00 0.02 H new ATOM 0 H1' DT B 17 2.102 -11.281 4.530 1.00 0.00 H new ATOM 0 H3 DT B 17 -0.317 -10.674 0.910 1.00 0.00 H new ATOM 0 H71 DT B 17 4.772 -8.672 -0.152 1.00 0.02 H new ATOM 0 H72 DT B 17 4.485 -10.102 -1.173 1.00 0.02 H new ATOM 0 H73 DT B 17 3.552 -8.611 -1.446 1.00 0.02 H new ATOM 0 H6 DT B 17 4.308 -9.919 1.876 1.00 0.01 H new ATOM 475 P DT B 18 4.550 -14.492 6.370 1.00 0.00 P ATOM 476 OP1 DT B 18 5.046 -14.786 7.734 1.00 0.00 O ATOM 477 OP2 DT B 18 5.174 -15.154 5.203 1.00 0.00 O ATOM 478 O5' DT B 18 2.963 -14.780 6.323 1.00 0.01 O ATOM 479 C5' DT B 18 2.079 -14.525 7.430 1.00 0.02 C ATOM 480 C4' DT B 18 0.621 -14.862 7.115 1.00 0.01 C ATOM 481 O4' DT B 18 0.371 -13.966 5.970 1.00 0.01 O ATOM 482 C3' DT B 18 0.164 -16.284 6.652 1.00 0.01 C ATOM 483 O3' DT B 18 -1.218 -16.431 6.993 1.00 0.01 O ATOM 484 C2' DT B 18 0.285 -16.105 5.175 1.00 0.00 C ATOM 485 C1' DT B 18 -0.186 -14.720 4.867 1.00 0.00 C ATOM 486 N1 DT B 18 0.033 -14.553 3.396 1.00 0.01 N ATOM 487 C2 DT B 18 -1.115 -14.204 2.656 1.00 0.01 C ATOM 488 O2 DT B 18 -2.226 -14.071 3.170 1.00 0.01 O ATOM 489 N3 DT B 18 -0.963 -14.016 1.301 1.00 0.00 N ATOM 490 C4 DT B 18 0.231 -14.100 0.623 1.00 0.00 C ATOM 491 O4 DT B 18 0.234 -13.920 -0.593 1.00 0.00 O ATOM 492 C5 DT B 18 1.382 -14.453 1.449 1.00 0.00 C ATOM 493 C7 DT B 18 2.774 -14.399 0.826 1.00 0.01 C ATOM 494 C6 DT B 18 1.266 -14.710 2.779 1.00 0.01 C ATOM 0 H5' DT B 18 2.151 -13.475 7.712 1.00 0.02 H new ATOM 0 H5'' DT B 18 2.404 -15.109 8.291 1.00 0.02 H new ATOM 0 H4' DT B 18 0.085 -14.773 8.060 1.00 0.01 H new ATOM 0 H3' DT B 18 0.707 -17.133 7.069 1.00 0.01 H new ATOM 0 H2' DT B 18 1.317 -16.243 4.852 1.00 0.00 H new ATOM 0 H2'' DT B 18 -0.316 -16.844 4.646 1.00 0.00 H new ATOM 0 HO3' DT B 18 -1.532 -17.316 6.712 1.00 0.01 H new ATOM 0 H1' DT B 18 -1.215 -14.362 4.885 1.00 0.00 H new ATOM 0 H3 DT B 18 -1.799 -13.798 0.759 1.00 0.00 H new ATOM 0 H71 DT B 18 3.508 -14.158 1.595 1.00 0.01 H new ATOM 0 H72 DT B 18 3.014 -15.367 0.386 1.00 0.01 H new ATOM 0 H73 DT B 18 2.796 -13.633 0.051 1.00 0.01 H new ATOM 0 H6 DT B 18 2.124 -15.033 3.349 1.00 0.01 H new TER 508 DT B 18 HETATM 509 O1 1GL B 21 8.788 1.403 -9.284 1.00 0.00 O HETATM 510 C1 1GL B 21 9.279 0.523 -10.324 1.00 0.00 C HETATM 511 C2 1GL B 21 8.762 0.993 -11.697 1.00 0.01 C HETATM 512 C3 1GL B 21 7.282 0.640 -11.726 1.00 0.01 C HETATM 513 O3 1GL B 21 6.853 0.939 -13.049 1.00 0.00 O HETATM 514 C4 1GL B 21 6.901 -0.827 -11.472 1.00 0.00 C HETATM 515 O4 1GL B 21 7.288 -1.659 -12.577 1.00 0.00 O HETATM 516 CME 1GL B 21 6.261 -2.157 -13.466 1.00 0.01 C HETATM 517 C5 1GL B 21 7.520 -1.237 -10.114 1.00 0.00 C HETATM 518 O5 1GL B 21 8.914 -0.867 -10.131 1.00 0.00 O HETATM 519 C6 1GL B 21 7.232 -2.770 -10.011 1.00 0.01 C HETATM 0 HM43 1GL B 21 5.552 -2.762 -12.900 1.00 0.01 H new HETATM 0 HM42 1GL B 21 5.737 -1.318 -13.923 1.00 0.01 H new HETATM 0 HM41 1GL B 21 6.718 -2.767 -14.245 1.00 0.01 H new HETATM 0 HO3 1GL B 21 5.899 0.731 -13.138 1.00 0.00 H new HETATM 0 H63 1GL B 21 6.156 -2.941 -10.039 1.00 0.01 H new HETATM 0 H62 1GL B 21 7.703 -3.286 -10.848 1.00 0.01 H new HETATM 0 H61 1GL B 21 7.636 -3.154 -9.074 1.00 0.01 H new HETATM 0 H5 1GL B 21 7.110 -0.745 -9.232 1.00 0.00 H new HETATM 0 H4 1GL B 21 5.821 -0.957 -11.405 1.00 0.00 H new HETATM 0 H3 1GL B 21 6.820 1.199 -10.912 1.00 0.01 H new HETATM 0 H22 1GL B 21 8.911 2.065 -11.825 1.00 0.01 H new HETATM 0 H21 1GL B 21 9.298 0.498 -12.507 1.00 0.01 H new HETATM 0 H1 1GL B 21 10.367 0.577 -10.277 1.00 0.00 H new HETATM 533 OGL ARI B 22 8.457 3.267 -4.692 1.00 0.00 O HETATM 534 C1 ARI B 22 9.242 2.493 -5.643 1.00 0.01 C HETATM 535 C2 ARI B 22 8.734 2.511 -7.097 1.00 0.01 C HETATM 536 C3 ARI B 22 9.569 1.706 -8.106 1.00 0.01 C HETATM 537 C4 ARI B 22 11.061 2.041 -7.951 1.00 0.01 C HETATM 538 O4 ARI B 22 11.205 3.310 -8.669 1.00 0.01 O HETATM 539 CME ARI B 22 9.842 4.526 -10.502 1.00 0.01 C HETATM 540 CO4 ARI B 22 10.935 3.471 -10.024 1.00 0.01 C HETATM 541 OC4 ARI B 22 11.513 2.834 -10.881 1.00 0.01 O HETATM 542 C5 ARI B 22 11.480 2.028 -6.446 1.00 0.01 C HETATM 543 O1 ARI B 22 10.619 2.876 -5.674 1.00 0.00 O HETATM 544 C6 ARI B 22 12.930 2.564 -6.308 1.00 0.01 C HETATM 0 H63 ARI B 22 13.608 1.930 -6.879 1.00 0.01 H new HETATM 0 H62 ARI B 22 12.979 3.584 -6.690 1.00 0.01 H new HETATM 0 H61 ARI B 22 13.223 2.555 -5.258 1.00 0.01 H new HETATM 0 H5 ARI B 22 11.409 1.003 -6.082 1.00 0.01 H new HETATM 0 H43 ARI B 22 8.874 4.268 -10.071 1.00 0.01 H new HETATM 0 H42 ARI B 22 10.131 5.524 -10.173 1.00 0.01 H new HETATM 0 H41 ARI B 22 9.771 4.509 -11.590 1.00 0.01 H new HETATM 0 H4 ARI B 22 11.750 1.311 -8.376 1.00 0.01 H new HETATM 0 H32 ARI B 22 9.411 0.639 -7.950 1.00 0.01 H new HETATM 0 H22 ARI B 22 7.714 2.128 -7.110 1.00 0.01 H new HETATM 0 H21 ARI B 22 8.690 3.547 -7.434 1.00 0.01 H new HETATM 0 H1 ARI B 22 9.125 1.482 -5.253 1.00 0.01 H new HETATM 557 OGL CDR A 24 8.287 -2.726 3.603 1.00 0.00 O HETATM 558 C1 CDR A 24 7.774 -2.444 4.912 1.00 0.03 C HETATM 559 C2 CDR A 24 7.067 -3.739 5.359 1.00 0.10 C HETATM 560 C3 CDR A 24 6.508 -3.600 6.791 1.00 0.03 C HETATM 561 C4 CDR A 24 7.759 -3.302 7.660 1.00 0.01 C HETATM 562 O4 CDR A 24 7.300 -3.187 9.003 1.00 0.00 O HETATM 563 C5 CDR A 24 8.322 -1.915 7.188 1.00 0.01 C HETATM 564 O1 CDR A 24 8.800 -2.089 5.850 1.00 0.00 O HETATM 565 C6 CDR A 24 9.455 -1.549 8.177 1.00 0.01 C HETATM 0 HO4 CDR A 24 6.556 -3.808 9.149 1.00 0.00 H new HETATM 0 H63 CDR A 24 9.050 -1.484 9.187 1.00 0.01 H new HETATM 0 H62 CDR A 24 10.228 -2.317 8.145 1.00 0.01 H new HETATM 0 H61 CDR A 24 9.886 -0.588 7.897 1.00 0.01 H new HETATM 0 H5 CDR A 24 7.584 -1.113 7.183 1.00 0.01 H new HETATM 0 H4 CDR A 24 8.526 -4.072 7.578 1.00 0.01 H new HETATM 0 H32 CDR A 24 5.776 -2.795 6.857 1.00 0.03 H new HETATM 0 H22 CDR A 24 6.255 -3.971 4.669 1.00 0.10 H new HETATM 0 H21 CDR A 24 7.768 -4.573 5.318 1.00 0.10 H new HETATM 0 H1 CDR A 24 7.105 -1.584 4.878 1.00 0.03 H new HETATM 576 OGL CDR A 25 6.071 -4.934 7.149 1.00 0.00 O HETATM 577 C1 CDR A 25 4.798 -5.188 7.777 1.00 0.01 C HETATM 578 C2 CDR A 25 4.314 -6.619 7.391 1.00 0.02 C HETATM 579 C3 CDR A 25 3.079 -6.905 8.227 1.00 0.01 C HETATM 580 C4 CDR A 25 3.193 -6.682 9.758 1.00 0.00 C HETATM 581 O4 CDR A 25 1.873 -6.829 10.269 1.00 0.00 O HETATM 582 C5 CDR A 25 3.638 -5.203 9.973 1.00 0.00 C HETATM 583 O1 CDR A 25 4.861 -5.056 9.217 1.00 0.00 O HETATM 584 C6 CDR A 25 3.800 -5.063 11.508 1.00 0.01 C HETATM 0 HO4 CDR A 25 1.369 -7.448 9.700 1.00 0.00 H new HETATM 0 H63 CDR A 25 2.848 -5.275 11.995 1.00 0.01 H new HETATM 0 H62 CDR A 25 4.553 -5.768 11.860 1.00 0.01 H new HETATM 0 H61 CDR A 25 4.113 -4.047 11.750 1.00 0.01 H new HETATM 0 H5 CDR A 25 2.954 -4.425 9.634 1.00 0.00 H new HETATM 0 H4 CDR A 25 3.892 -7.367 10.237 1.00 0.00 H new HETATM 0 H32 CDR A 25 2.267 -6.281 7.854 1.00 0.01 H new HETATM 0 H22 CDR A 25 4.082 -6.675 6.327 1.00 0.02 H new HETATM 0 H21 CDR A 25 5.093 -7.356 7.587 1.00 0.02 H new HETATM 0 H1 CDR A 25 4.090 -4.441 7.419 1.00 0.01 H new HETATM 595 OGL ERI A 26 2.439 -8.159 7.940 1.00 0.00 O HETATM 596 C1 ERI A 26 1.533 -8.220 6.830 1.00 0.01 C HETATM 597 C2 ERI A 26 1.094 -9.661 6.546 1.00 0.04 C HETATM 598 C3 ERI A 26 -0.132 -10.170 7.321 1.00 0.01 C HETATM 599 O3 ERI A 26 -0.586 -11.371 6.707 1.00 0.00 O HETATM 600 CC3 ERI A 26 0.196 -10.451 8.813 1.00 0.01 C HETATM 601 C4 ERI A 26 -1.306 -9.187 7.092 1.00 0.01 C HETATM 602 O4 ERI A 26 -2.617 -9.733 7.450 1.00 0.01 O HETATM 603 CME ERI A 26 -4.365 -11.437 6.723 1.00 0.01 C HETATM 604 CO4 ERI A 26 -3.506 -10.142 6.460 1.00 0.00 C HETATM 605 OC4 ERI A 26 -3.666 -9.563 5.404 1.00 0.00 O HETATM 606 C5 ERI A 26 -0.813 -7.821 7.669 1.00 0.02 C HETATM 607 O1 ERI A 26 0.370 -7.370 6.970 1.00 0.00 O HETATM 608 C6 ERI A 26 -1.964 -6.825 7.506 1.00 0.01 C HETATM 0 HO3 ERI A 26 0.149 -12.019 6.672 1.00 0.00 H new HETATM 0 H63 ERI A 26 -2.215 -6.729 6.450 1.00 0.01 H new HETATM 0 H62 ERI A 26 -2.835 -7.183 8.055 1.00 0.01 H new HETATM 0 H61 ERI A 26 -1.663 -5.853 7.897 1.00 0.01 H new HETATM 0 H43 ERI A 26 -3.702 -12.289 6.876 1.00 0.01 H new HETATM 0 H42 ERI A 26 -4.980 -11.292 7.611 1.00 0.01 H new HETATM 0 H41 ERI A 26 -5.008 -11.628 5.864 1.00 0.01 H new HETATM 0 H4 ERI A 26 -1.551 -9.004 6.046 1.00 0.01 H new HETATM 0 H33 ERI A 26 0.977 -11.209 8.877 1.00 0.01 H new HETATM 0 H32 ERI A 26 0.541 -9.533 9.289 1.00 0.01 H new HETATM 0 H31 ERI A 26 -0.699 -10.809 9.321 1.00 0.01 H new HETATM 0 H22 ERI A 26 0.885 -9.750 5.480 1.00 0.04 H new HETATM 0 H21 ERI A 26 1.933 -10.322 6.762 1.00 0.04 H new HETATM 624 O1 1GL A 31 -3.567 -1.754 11.633 1.00 0.00 O HETATM 625 C1 1GL A 31 -4.404 -0.920 12.470 1.00 0.00 C HETATM 626 C2 1GL A 31 -5.763 -1.609 12.702 1.00 0.01 C HETATM 627 C3 1GL A 31 -6.512 -1.495 11.384 1.00 0.00 C HETATM 628 O3 1GL A 31 -7.818 -1.993 11.650 1.00 0.00 O HETATM 629 C4 1GL A 31 -6.703 -0.087 10.795 1.00 0.00 C HETATM 630 O4 1GL A 31 -7.635 0.676 11.574 1.00 0.00 O HETATM 631 CME 1GL A 31 -8.956 0.911 11.036 1.00 0.01 C HETATM 632 C5 1GL A 31 -5.298 0.550 10.659 1.00 0.00 C HETATM 633 O5 1GL A 31 -4.627 0.407 11.930 1.00 0.00 O HETATM 634 C6 1GL A 31 -5.589 2.022 10.223 1.00 0.01 C HETATM 0 HM43 1GL A 31 -8.874 1.452 10.093 1.00 0.01 H new HETATM 0 HM42 1GL A 31 -9.454 -0.043 10.864 1.00 0.01 H new HETATM 0 HM41 1GL A 31 -9.537 1.501 11.744 1.00 0.01 H new HETATM 0 HO3 1GL A 31 -8.359 -1.946 10.834 1.00 0.00 H new HETATM 0 H63 1GL A 31 -6.132 2.021 9.278 1.00 0.01 H new HETATM 0 H62 1GL A 31 -6.191 2.515 10.986 1.00 0.01 H new HETATM 0 H61 1GL A 31 -4.648 2.558 10.100 1.00 0.01 H new HETATM 0 H5 1GL A 31 -4.631 0.092 9.929 1.00 0.00 H new HETATM 0 H4 1GL A 31 -7.155 -0.120 9.803 1.00 0.00 H new HETATM 0 H3 1GL A 31 -5.911 -2.032 10.650 1.00 0.00 H new HETATM 0 H22 1GL A 31 -5.629 -2.652 12.987 1.00 0.01 H new HETATM 0 H21 1GL A 31 -6.314 -1.126 13.509 1.00 0.01 H new HETATM 0 H1 1GL A 31 -3.867 -0.793 13.410 1.00 0.00 H new HETATM 648 OGL ARI A 32 0.623 -3.162 9.366 1.00 0.00 O HETATM 649 C1 ARI A 32 0.011 -2.377 10.429 1.00 0.00 C HETATM 650 C2 ARI A 32 -1.494 -2.623 10.659 1.00 0.01 C HETATM 651 C3 ARI A 32 -2.131 -1.805 11.795 1.00 0.01 C HETATM 652 C4 ARI A 32 -1.269 -1.882 13.066 1.00 0.00 C HETATM 653 O4 ARI A 32 -1.626 -3.181 13.646 1.00 0.01 O HETATM 654 CME ARI A 32 -3.658 -4.787 13.430 1.00 0.02 C HETATM 655 CO4 ARI A 32 -2.910 -3.523 14.057 1.00 0.01 C HETATM 656 OC4 ARI A 32 -3.506 -2.892 14.907 1.00 0.01 O HETATM 657 C5 ARI A 32 0.238 -1.649 12.729 1.00 0.01 C HETATM 658 O1 ARI A 32 0.668 -2.538 11.689 1.00 0.00 O HETATM 659 C6 ARI A 32 1.101 -1.933 13.987 1.00 0.01 C HETATM 0 H63 ARI A 32 0.802 -1.262 14.792 1.00 0.01 H new HETATM 0 H62 ARI A 32 0.956 -2.966 14.302 1.00 0.01 H new HETATM 0 H61 ARI A 32 2.153 -1.770 13.751 1.00 0.01 H new HETATM 0 H5 ARI A 32 0.356 -0.616 12.402 1.00 0.01 H new HETATM 0 H43 ARI A 32 -3.762 -4.651 12.353 1.00 0.02 H new HETATM 0 H42 ARI A 32 -3.078 -5.688 13.628 1.00 0.02 H new HETATM 0 H41 ARI A 32 -4.646 -4.885 13.880 1.00 0.02 H new HETATM 0 H4 ARI A 32 -1.452 -1.100 13.803 1.00 0.00 H new HETATM 0 H32 ARI A 32 -2.240 -0.766 11.485 1.00 0.01 H new HETATM 0 H22 ARI A 32 -2.026 -2.403 9.734 1.00 0.01 H new HETATM 0 H21 ARI A 32 -1.644 -3.682 10.869 1.00 0.01 H new HETATM 0 H1 ARI A 32 0.131 -1.361 10.053 1.00 0.00 H new HETATM 672 OGL CDR B 34 6.839 3.553 4.783 1.00 0.00 O HETATM 673 C1 CDR B 34 7.804 3.334 3.746 1.00 0.03 C HETATM 674 C2 CDR B 34 7.666 4.542 2.798 1.00 0.09 C HETATM 675 C3 CDR B 34 8.694 4.466 1.651 1.00 0.03 C HETATM 676 C4 CDR B 34 10.069 4.455 2.368 1.00 0.01 C HETATM 677 O4 CDR B 34 11.060 4.407 1.347 1.00 0.00 O HETATM 678 C5 CDR B 34 10.135 3.135 3.214 1.00 0.01 C HETATM 679 O1 CDR B 34 9.148 3.240 4.242 1.00 0.00 O HETATM 680 C6 CDR B 34 11.574 3.056 3.779 1.00 0.01 C HETATM 0 HO4 CDR B 34 10.738 4.888 0.556 1.00 0.00 H new HETATM 0 H63 CDR B 34 12.287 3.030 2.955 1.00 0.01 H new HETATM 0 H62 CDR B 34 11.769 3.930 4.400 1.00 0.01 H new HETATM 0 H61 CDR B 34 11.680 2.153 4.380 1.00 0.01 H new HETATM 0 H5 CDR B 34 9.929 2.230 2.643 1.00 0.01 H new HETATM 0 H4 CDR B 34 10.218 5.324 3.009 1.00 0.01 H new HETATM 0 H32 CDR B 34 8.552 3.569 1.049 1.00 0.03 H new HETATM 0 H22 CDR B 34 6.657 4.572 2.386 1.00 0.09 H new HETATM 0 H21 CDR B 34 7.809 5.466 3.358 1.00 0.09 H new HETATM 0 H1 CDR B 34 7.614 2.382 3.250 1.00 0.03 H new HETATM 691 OGL CDR B 35 8.592 5.740 0.972 1.00 0.00 O HETATM 692 C1 CDR B 35 8.528 5.853 -0.463 1.00 0.01 C HETATM 693 C2 CDR B 35 7.738 7.144 -0.841 1.00 0.02 C HETATM 694 C3 CDR B 35 7.860 7.300 -2.345 1.00 0.01 C HETATM 695 C4 CDR B 35 9.294 7.266 -2.940 1.00 0.00 C HETATM 696 O4 CDR B 35 9.130 7.256 -4.352 1.00 0.00 O HETATM 697 C5 CDR B 35 9.942 5.923 -2.503 1.00 0.00 C HETATM 698 O1 CDR B 35 9.844 5.880 -1.065 1.00 0.00 O HETATM 699 C6 CDR B 35 11.378 5.966 -3.073 1.00 0.01 C HETATM 0 HO4 CDR B 35 8.295 7.712 -4.588 1.00 0.00 H new HETATM 0 H63 CDR B 35 11.336 6.057 -4.158 1.00 0.01 H new HETATM 0 H62 CDR B 35 11.909 6.822 -2.657 1.00 0.01 H new HETATM 0 H61 CDR B 35 11.903 5.049 -2.806 1.00 0.01 H new HETATM 0 H5 CDR B 35 9.472 5.011 -2.870 1.00 0.00 H new HETATM 0 H4 CDR B 35 9.909 8.106 -2.615 1.00 0.00 H new HETATM 0 H32 CDR B 35 7.278 6.508 -2.817 1.00 0.01 H new HETATM 0 H22 CDR B 35 6.693 7.060 -0.543 1.00 0.02 H new HETATM 0 H21 CDR B 35 8.147 8.014 -0.327 1.00 0.02 H new HETATM 0 H1 CDR B 35 8.015 4.973 -0.850 1.00 0.01 H new HETATM 710 OGL ERI B 36 7.122 8.409 -2.887 1.00 0.00 O HETATM 711 C1 ERI B 36 5.731 8.216 -3.179 1.00 0.01 C HETATM 712 C2 ERI B 36 5.058 9.538 -3.561 1.00 0.04 C HETATM 713 C3 ERI B 36 5.091 9.916 -5.047 1.00 0.02 C HETATM 714 O3 ERI B 36 4.150 10.961 -5.267 1.00 0.00 O HETATM 715 CC3 ERI B 36 6.503 10.378 -5.489 1.00 0.00 C HETATM 716 C4 ERI B 36 4.525 8.738 -5.873 1.00 0.01 C HETATM 717 O4 ERI B 36 4.156 9.106 -7.245 1.00 0.00 O HETATM 718 CME ERI B 36 2.455 10.430 -8.607 1.00 0.01 C HETATM 719 CO4 ERI B 36 2.821 9.266 -7.604 1.00 0.00 C HETATM 720 OC4 ERI B 36 1.917 8.564 -7.197 1.00 0.00 O HETATM 721 C5 ERI B 36 5.482 7.537 -5.587 1.00 0.02 C HETATM 722 O1 ERI B 36 5.471 7.208 -4.181 1.00 0.00 O HETATM 723 C6 ERI B 36 4.979 6.386 -6.445 1.00 0.01 C HETATM 0 HO3 ERI B 36 4.339 11.705 -4.658 1.00 0.00 H new HETATM 0 H63 ERI B 36 3.953 6.146 -6.167 1.00 0.01 H new HETATM 0 H62 ERI B 36 5.012 6.674 -7.496 1.00 0.01 H new HETATM 0 H61 ERI B 36 5.611 5.512 -6.288 1.00 0.01 H new HETATM 0 H43 ERI B 36 2.748 11.387 -8.176 1.00 0.01 H new HETATM 0 H42 ERI B 36 2.984 10.279 -9.548 1.00 0.01 H new HETATM 0 H41 ERI B 36 1.381 10.428 -8.790 1.00 0.01 H new HETATM 0 H4 ERI B 36 3.531 8.405 -5.576 1.00 0.01 H new HETATM 0 H33 ERI B 36 6.799 11.250 -4.906 1.00 0.00 H new HETATM 0 H32 ERI B 36 7.218 9.572 -5.324 1.00 0.00 H new HETATM 0 H31 ERI B 36 6.486 10.637 -6.548 1.00 0.00 H new HETATM 0 H22 ERI B 36 4.016 9.496 -3.242 1.00 0.04 H new HETATM 0 H21 ERI B 36 5.532 10.339 -2.994 1.00 0.04 H new HETATM 739 MG MG B 1 4.872 0.138 2.486 1.00 0.00 MG HETATM 740 C1 CPH B 23 7.516 -0.903 1.937 1.00 0.00 C HETATM 741 O1 CPH B 23 6.379 -0.993 2.364 1.00 0.00 O HETATM 742 C9A CPH B 23 7.802 -0.117 0.793 1.00 0.00 C HETATM 743 C2 CPH B 23 8.584 -1.666 2.684 1.00 0.00 C HETATM 744 C3 CPH B 23 9.637 -2.189 1.669 1.00 0.01 C HETATM 745 C4 CPH B 23 10.058 -0.987 0.856 1.00 0.02 C HETATM 746 C4A CPH B 23 9.061 -0.157 0.221 1.00 0.00 C HETATM 747 C10 CPH B 23 9.478 0.543 -0.920 1.00 0.01 C HETATM 748 C5A CPH B 23 8.566 1.339 -1.573 1.00 0.01 C HETATM 749 C5 CPH B 23 8.965 1.957 -2.787 1.00 0.01 C HETATM 750 C6 CPH B 23 8.065 2.733 -3.476 1.00 0.00 C HETATM 751 C7 CPH B 23 6.765 2.905 -2.926 1.00 0.00 C HETATM 752 CC7 CPH B 23 5.908 3.858 -3.696 1.00 0.01 C HETATM 753 C8 CPH B 23 6.299 2.277 -1.689 1.00 0.00 C HETATM 754 O8 CPH B 23 5.057 2.454 -1.054 1.00 0.00 O HETATM 755 C8A CPH B 23 7.227 1.451 -1.013 1.00 0.00 C HETATM 756 C9 CPH B 23 6.862 0.708 0.184 1.00 0.00 C HETATM 757 O9 CPH B 23 5.626 0.780 0.803 1.00 0.00 O HETATM 758 C1' CPH B 23 10.907 -2.794 2.381 1.00 0.00 C HETATM 759 O1' CPH B 23 12.280 -2.393 2.163 1.00 0.00 O HETATM 760 CME CPH B 23 13.056 -1.596 3.114 1.00 0.00 C HETATM 761 C2' CPH B 23 10.796 -4.319 2.402 1.00 0.00 C HETATM 762 O2' CPH B 23 10.045 -4.850 3.198 1.00 0.00 O HETATM 763 C3' CPH B 23 11.611 -5.183 1.442 1.00 0.00 C HETATM 764 O3' CPH B 23 10.972 -6.448 1.301 1.00 0.00 O HETATM 765 C4' CPH B 23 11.720 -4.503 0.055 1.00 0.00 C HETATM 766 O4' CPH B 23 10.781 -5.020 -0.880 1.00 0.00 O HETATM 767 C5' CPH B 23 13.144 -4.792 -0.412 1.00 0.00 C HETATM 0 HO4' CPH B 23 10.887 -4.560 -1.739 1.00 0.00 H new HETATM 0 HO3' CPH B 23 10.586 -6.521 0.403 1.00 0.00 H new HETATM 0 HMEB CPH B 23 12.564 -0.636 3.271 1.00 0.00 H new HETATM 0 HMEA CPH B 23 13.125 -2.128 4.063 1.00 0.00 H new HETATM 0 HC7B CPH B 23 6.383 4.839 -3.718 1.00 0.01 H new HETATM 0 HC7A CPH B 23 5.783 3.493 -4.715 1.00 0.01 H new HETATM 0 H5'B CPH B 23 13.853 -4.371 0.301 1.00 0.00 H new HETATM 0 H5'A CPH B 23 13.293 -5.870 -0.478 1.00 0.00 H new HETATM 0 HO8 CPH B 23 4.340 2.139 -1.643 1.00 0.00 H new HETATM 0 HME CPH B 23 14.058 -1.430 2.717 1.00 0.00 H new HETATM 0 HC7 CPH B 23 4.932 3.938 -3.217 1.00 0.01 H new HETATM 0 H5' CPH B 23 13.304 -4.342 -1.392 1.00 0.00 H new HETATM 0 H5 CPH B 23 9.976 1.817 -3.169 1.00 0.01 H new HETATM 0 H4A CPH B 23 10.646 -0.343 1.510 1.00 0.02 H new HETATM 0 H4' CPH B 23 11.502 -3.437 0.128 1.00 0.00 H new HETATM 0 H4 CPH B 23 10.728 -1.344 0.074 1.00 0.02 H new HETATM 0 H3' CPH B 23 12.615 -5.312 1.845 1.00 0.00 H new HETATM 0 H3 CPH B 23 9.204 -2.986 1.065 1.00 0.01 H new HETATM 0 H10 CPH B 23 10.503 0.458 -1.282 1.00 0.01 H new HETATM 0 H1' CPH B 23 10.794 -2.256 3.322 1.00 0.00 H new HETATM 789 C1 CPH A 33 5.330 1.468 5.051 1.00 0.00 C HETATM 790 O1 CPH A 33 5.179 1.418 3.842 1.00 0.00 O HETATM 791 C9A CPH A 33 4.582 0.624 5.912 1.00 0.00 C HETATM 792 C2 CPH A 33 6.344 2.462 5.571 1.00 0.00 C HETATM 793 C3 CPH A 33 5.838 3.040 6.922 1.00 0.01 C HETATM 794 C4 CPH A 33 5.513 1.839 7.778 1.00 0.01 C HETATM 795 C4A CPH A 33 4.643 0.802 7.281 1.00 0.00 C HETATM 796 C10 CPH A 33 3.945 0.059 8.244 1.00 0.01 C HETATM 797 C5A CPH A 33 3.094 -0.934 7.824 1.00 0.01 C HETATM 798 C5 CPH A 33 2.309 -1.607 8.798 1.00 0.01 C HETATM 799 C6 CPH A 33 1.427 -2.576 8.399 1.00 0.01 C HETATM 800 C7 CPH A 33 1.348 -2.887 7.009 1.00 0.00 C HETATM 801 CC7 CPH A 33 0.434 -4.044 6.744 1.00 0.02 C HETATM 802 C8 CPH A 33 2.122 -2.218 5.971 1.00 0.01 C HETATM 803 O8 CPH A 33 2.141 -2.521 4.601 1.00 0.00 O HETATM 804 C8A CPH A 33 2.996 -1.194 6.396 1.00 0.00 C HETATM 805 C9 CPH A 33 3.759 -0.401 5.449 1.00 0.00 C HETATM 806 O9 CPH A 33 3.774 -0.588 4.081 1.00 0.00 O HETATM 807 C1' CPH A 33 6.934 3.908 7.651 1.00 0.00 C HETATM 808 O1' CPH A 33 7.428 3.708 8.997 1.00 0.00 O HETATM 809 CME CPH A 33 8.744 3.141 9.305 1.00 0.00 C HETATM 810 C2' CPH A 33 6.651 5.389 7.402 1.00 0.00 C HETATM 811 O2' CPH A 33 6.926 5.874 6.322 1.00 0.00 O HETATM 812 C3' CPH A 33 6.030 6.265 8.486 1.00 0.00 C HETATM 813 O3' CPH A 33 5.413 7.394 7.876 1.00 0.00 O HETATM 814 C4' CPH A 33 4.977 5.470 9.296 1.00 0.00 C HETATM 815 O4' CPH A 33 3.649 5.737 8.860 1.00 0.00 O HETATM 816 C5' CPH A 33 5.159 5.935 10.739 1.00 0.00 C HETATM 0 HO4' CPH A 33 3.017 5.214 9.397 1.00 0.00 H new HETATM 0 HO3' CPH A 33 4.440 7.277 7.880 1.00 0.00 H new HETATM 0 HMEB CPH A 33 8.814 2.136 8.888 1.00 0.00 H new HETATM 0 HMEA CPH A 33 9.522 3.769 8.871 1.00 0.00 H new HETATM 0 HC7B CPH A 33 0.801 -4.926 7.269 1.00 0.02 H new HETATM 0 HC7A CPH A 33 -0.569 -3.803 7.096 1.00 0.02 H new HETATM 0 H5'B CPH A 33 6.174 5.711 11.068 1.00 0.00 H new HETATM 0 H5'A CPH A 33 4.987 7.010 10.799 1.00 0.00 H new HETATM 0 HO8 CPH A 33 1.223 -2.648 4.281 1.00 0.00 H new HETATM 0 HME CPH A 33 8.876 3.095 10.386 1.00 0.00 H new HETATM 0 HC7 CPH A 33 0.404 -4.246 5.673 1.00 0.02 H new HETATM 0 H5' CPH A 33 4.447 5.417 11.381 1.00 0.00 H new HETATM 0 H5 CPH A 33 2.408 -1.354 9.854 1.00 0.01 H new HETATM 0 H4A CPH A 33 6.459 1.366 8.042 1.00 0.01 H new HETATM 0 H4' CPH A 33 5.120 4.396 9.173 1.00 0.00 H new HETATM 0 H4 CPH A 33 5.074 2.212 8.703 1.00 0.01 H new HETATM 0 H3' CPH A 33 6.814 6.592 9.169 1.00 0.00 H new HETATM 0 H3 CPH A 33 4.983 3.695 6.752 1.00 0.01 H new HETATM 0 H10 CPH A 33 4.075 0.266 9.306 1.00 0.01 H new HETATM 0 H1' CPH A 33 7.799 3.458 7.163 1.00 0.00 H new CONECT 509 510 536 CONECT 510 509 511 518 520 CONECT 511 510 512 521 522 CONECT 512 511 513 514 523 CONECT 513 512 524 CONECT 514 512 515 517 525 CONECT 515 514 516 CONECT 516 515 526 527 528 CONECT 517 514 518 519 529 CONECT 518 510 517 CONECT 519 517 530 531 532 CONECT 520 510 CONECT 521 511 CONECT 522 511 CONECT 523 512 CONECT 524 513 CONECT 525 514 CONECT 526 516 CONECT 527 516 CONECT 528 516 CONECT 529 517 CONECT 530 519 CONECT 531 519 CONECT 532 519 CONECT 533 534 750 CONECT 534 533 535 543 545 CONECT 535 534 536 546 547 CONECT 536 509 535 537 548 CONECT 537 536 538 542 549 CONECT 538 537 540 CONECT 539 540 550 551 552 CONECT 540 538 539 541 CONECT 541 540 CONECT 542 537 543 544 553 CONECT 543 534 542 CONECT 544 542 554 555 556 CONECT 545 534 CONECT 546 535 CONECT 547 535 CONECT 548 536 CONECT 549 537 CONECT 550 539 CONECT 551 539 CONECT 552 539 CONECT 553 542 CONECT 554 544 CONECT 555 544 CONECT 556 544 CONECT 557 558 743 CONECT 558 557 559 564 566 CONECT 559 558 560 567 568 CONECT 560 559 561 569 576 CONECT 561 560 562 563 570 CONECT 562 561 571 CONECT 563 561 564 565 572 CONECT 564 558 563 CONECT 565 563 573 574 575 CONECT 566 558 CONECT 567 559 CONECT 568 559 CONECT 569 560 CONECT 570 561 CONECT 571 562 CONECT 572 563 CONECT 573 565 CONECT 574 565 CONECT 575 565 CONECT 576 560 577 CONECT 577 576 578 583 585 CONECT 578 577 579 586 587 CONECT 579 578 580 588 595 CONECT 580 579 581 582 589 CONECT 581 580 590 CONECT 582 580 583 584 591 CONECT 583 577 582 CONECT 584 582 592 593 594 CONECT 585 577 CONECT 586 578 CONECT 587 578 CONECT 588 579 CONECT 589 580 CONECT 590 581 CONECT 591 582 CONECT 592 584 CONECT 593 584 CONECT 594 584 CONECT 595 579 596 CONECT 596 595 597 607 609 CONECT 597 596 598 610 611 CONECT 598 597 599 600 601 CONECT 599 598 612 CONECT 600 598 613 614 615 CONECT 601 598 602 606 616 CONECT 602 601 604 CONECT 603 604 617 618 619 CONECT 604 602 603 605 CONECT 605 604 CONECT 606 601 607 608 620 CONECT 607 596 606 CONECT 608 606 621 622 623 CONECT 609 596 CONECT 610 597 CONECT 611 597 CONECT 612 599 CONECT 613 600 CONECT 614 600 CONECT 615 600 CONECT 616 601 CONECT 617 603 CONECT 618 603 CONECT 619 603 CONECT 620 606 CONECT 621 608 CONECT 622 608 CONECT 623 608 CONECT 624 625 651 CONECT 625 624 626 633 635 CONECT 626 625 627 636 637 CONECT 627 626 628 629 638 CONECT 628 627 639 CONECT 629 627 630 632 640 CONECT 630 629 631 CONECT 631 630 641 642 643 CONECT 632 629 633 634 644 CONECT 633 625 632 CONECT 634 632 645 646 647 CONECT 635 625 CONECT 636 626 CONECT 637 626 CONECT 638 627 CONECT 639 628 CONECT 640 629 CONECT 641 631 CONECT 642 631 CONECT 643 631 CONECT 644 632 CONECT 645 634 CONECT 646 634 CONECT 647 634 CONECT 648 649 799 CONECT 649 648 650 658 660 CONECT 650 649 651 661 662 CONECT 651 624 650 652 663 CONECT 652 651 653 657 664 CONECT 653 652 655 CONECT 654 655 665 666 667 CONECT 655 653 654 656 CONECT 656 655 CONECT 657 652 658 659 668 CONECT 658 649 657 CONECT 659 657 669 670 671 CONECT 660 649 CONECT 661 650 CONECT 662 650 CONECT 663 651 CONECT 664 652 CONECT 665 654 CONECT 666 654 CONECT 667 654 CONECT 668 657 CONECT 669 659 CONECT 670 659 CONECT 671 659 CONECT 672 673 792 CONECT 673 672 674 679 681 CONECT 674 673 675 682 683 CONECT 675 674 676 684 691 CONECT 676 675 677 678 685 CONECT 677 676 686 CONECT 678 676 679 680 687 CONECT 679 673 678 CONECT 680 678 688 689 690 CONECT 681 673 CONECT 682 674 CONECT 683 674 CONECT 684 675 CONECT 685 676 CONECT 686 677 CONECT 687 678 CONECT 688 680 CONECT 689 680 CONECT 690 680 CONECT 691 675 692 CONECT 692 691 693 698 700 CONECT 693 692 694 701 702 CONECT 694 693 695 703 710 CONECT 695 694 696 697 704 CONECT 696 695 705 CONECT 697 695 698 699 706 CONECT 698 692 697 CONECT 699 697 707 708 709 CONECT 700 692 CONECT 701 693 CONECT 702 693 CONECT 703 694 CONECT 704 695 CONECT 705 696 CONECT 706 697 CONECT 707 699 CONECT 708 699 CONECT 709 699 CONECT 710 694 711 CONECT 711 710 712 722 724 CONECT 712 711 713 725 726 CONECT 713 712 714 715 716 CONECT 714 713 727 CONECT 715 713 728 729 730 CONECT 716 713 717 721 731 CONECT 717 716 719 CONECT 718 719 732 733 734 CONECT 719 717 718 720 CONECT 720 719 CONECT 721 716 722 723 735 CONECT 722 711 721 CONECT 723 721 736 737 738 CONECT 724 711 CONECT 725 712 CONECT 726 712 CONECT 727 714 CONECT 728 715 CONECT 729 715 CONECT 730 715 CONECT 731 716 CONECT 732 718 CONECT 733 718 CONECT 734 718 CONECT 735 721 CONECT 736 723 CONECT 737 723 CONECT 738 723 CONECT 739 741 757 790 806 CONECT 740 741 742 743 CONECT 741 739 740 CONECT 742 740 746 756 CONECT 743 557 740 744 768 CONECT 744 743 745 758 769 CONECT 745 744 746 770 771 CONECT 746 742 745 747 CONECT 747 746 748 772 CONECT 748 747 749 755 CONECT 749 748 750 773 CONECT 750 533 749 751 CONECT 751 750 752 753 CONECT 752 751 774 775 776 CONECT 753 751 754 755 CONECT 754 753 777 CONECT 755 748 753 756 CONECT 756 742 755 757 CONECT 757 739 756 CONECT 758 744 759 761 778 CONECT 759 758 760 CONECT 760 759 779 780 781 CONECT 761 758 762 763 CONECT 762 761 CONECT 763 761 764 765 782 CONECT 764 763 783 CONECT 765 763 766 767 784 CONECT 766 765 785 CONECT 767 765 786 787 788 CONECT 768 743 CONECT 769 744 CONECT 770 745 CONECT 771 745 CONECT 772 747 CONECT 773 749 CONECT 774 752 CONECT 775 752 CONECT 776 752 CONECT 777 754 CONECT 778 758 CONECT 779 760 CONECT 780 760 CONECT 781 760 CONECT 782 763 CONECT 783 764 CONECT 784 765 CONECT 785 766 CONECT 786 767 CONECT 787 767 CONECT 788 767 CONECT 789 790 791 792 CONECT 790 739 789 CONECT 791 789 795 805 CONECT 792 672 789 793 817 CONECT 793 792 794 807 818 CONECT 794 793 795 819 820 CONECT 795 791 794 796 CONECT 796 795 797 821 CONECT 797 796 798 804 CONECT 798 797 799 822 CONECT 799 648 798 800 CONECT 800 799 801 802 CONECT 801 800 823 824 825 CONECT 802 800 803 804 CONECT 803 802 826 CONECT 804 797 802 805 CONECT 805 791 804 806 CONECT 806 739 805 CONECT 807 793 808 810 827 CONECT 808 807 809 CONECT 809 808 828 829 830 CONECT 810 807 811 812 CONECT 811 810 CONECT 812 810 813 814 831 CONECT 813 812 832 CONECT 814 812 815 816 833 CONECT 815 814 834 CONECT 816 814 835 836 837 CONECT 817 792 CONECT 818 793 CONECT 819 794 CONECT 820 794 CONECT 821 796 CONECT 822 798 CONECT 823 801 CONECT 824 801 CONECT 825 801 CONECT 826 803 CONECT 827 807 CONECT 828 809 CONECT 829 809 CONECT 830 809 CONECT 831 812 CONECT 832 813 CONECT 833 814 CONECT 834 815 CONECT 835 816 CONECT 836 816 CONECT 837 816 END