HEADER BIOTIN 03-MAR-99 2BDO TITLE SOLUTION STRUCTURE OF HOLO-BIOTINYL DOMAIN FROM ACETYL TITLE 2 COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TITLE 3 TRIPLE-RESONANCE NMR SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (ACETYL-COA CARBOXYLASE); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: BIOTINYL DOMAIN, RESIDUES 77 - 156; COMPND 5 SYNONYM: HOLO BIOTINYL DOMAIN; COMPND 6 EC: 6.4.1.2; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: BIOTINYL DOMAIN MADE BY EXPRESSING BIOTIN COMPND 9 DOMAIN SUBGENE IN A STRAIN IN WHICH BIOTIN PROTEIN LIGASE COMPND 10 IS ALSO EXPRESSED, LEADING TO PARTIAL BIOTINYLATION IN VIVO SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 STRAIN: BL21(DE3); SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PTM53 KEYWDS BIOTIN, BIOTINYL DOMAIN, ACETYL COA CARBOXYLASE, SWINGING KEYWDS 2 ARM, NMR SPECTROSCOPY, PROTEIN STRUCTURE EXPDTA NMR, 23 STRUCTURES AUTHOR E.L.ROBERTS,N.SHU,M.J.HOWARD,R.W.BROADHURST,A.CHAPMAN-SMITH, AUTHOR 2 J.C.WALLACE,T.MORRIS,J.E.CRONAN,R.N.PERHAM REVDAT 2 01-APR-03 2BDO 1 JRNL REVDAT 1 27-APR-99 2BDO 0 JRNL AUTH E.L.ROBERTS,N.SHU,M.J.HOWARD,R.W.BROADHURST, JRNL AUTH 2 A.CHAPMAN-SMITH,J.C.WALLACE,T.MORRIS, JRNL AUTH 3 J.E.CRONAN JR.,R.N.PERHAM JRNL TITL SOLUTION STRUCTURES OF APO AND HOLO BIOTINYL JRNL TITL 2 DOMAINS FROM ACETYL COENZYME A CARBOXYLASE OF JRNL TITL 3 ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE JRNL TITL 4 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 38 5045 1999 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 2BDO COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB . REMARK 100 THE RCSB ID CODE IS RCSB000580. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 20MM SODIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, NOESY, 15N-1H-HSQC, REMARK 210 HNHA, HNHB, 15N-NOESY-HMQC, REMARK 210 15N-TOCSY-HMQC, HNCACB, 13C- REMARK 210 NOESY-HSQC, HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AM500, AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : AZARA, ANSIG, XPLOR REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 23 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C, 15N-LABELED PROTEIN 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),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 1 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 1 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 1 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 1 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 1 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 2 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 2 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 2 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 2 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 2 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 3 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 3 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 3 THR A 114 CB THR A 114 OG1 -0.018 REMARK 500 3 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 3 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 4 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 4 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 4 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 4 LYS A 122 CE LYS A 122 NZ -0.030 REMARK 500 4 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 5 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 5 THR A 94 CB THR A 94 OG1 -0.015 REMARK 500 5 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 5 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 5 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 6 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 6 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 6 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 6 LYS A 122 CE LYS A 122 NZ -0.028 REMARK 500 6 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 7 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 7 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 7 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 7 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 7 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 8 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 8 THR A 94 CB THR A 94 OG1 -0.020 REMARK 500 8 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 8 LYS A 122 CE LYS A 122 NZ -0.028 REMARK 500 8 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 9 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 9 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 9 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 9 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 9 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 10 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 10 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 10 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 10 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 11 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 11 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 11 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 11 LYS A 122 CE LYS A 122 NZ -0.028 REMARK 500 11 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 12 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 12 THR A 94 CB THR A 94 OG1 -0.018 REMARK 500 12 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 12 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 12 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 13 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 13 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 13 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 13 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 13 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 14 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 14 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 14 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 14 LYS A 122 CE LYS A 122 NZ -0.030 REMARK 500 14 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 15 THR A 90 CB THR A 90 OG1 -0.018 REMARK 500 15 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 15 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 15 LYS A 122 CE LYS A 122 NZ -0.027 REMARK 500 15 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 16 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 16 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 16 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 16 LYS A 122 CE LYS A 122 NZ -0.030 REMARK 500 16 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 17 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 17 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 17 THR A 114 CB THR A 114 OG1 -0.016 REMARK 500 17 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 17 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 18 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 18 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 18 THR A 114 CB THR A 114 OG1 -0.018 REMARK 500 18 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 18 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 19 THR A 90 CB THR A 90 OG1 -0.016 REMARK 500 19 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 19 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 19 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 19 THR A 134 CB THR A 134 OG1 -0.018 REMARK 500 20 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 20 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 20 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 20 THR A 134 CB THR A 134 OG1 -0.016 REMARK 500 21 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 21 THR A 94 CB THR A 94 OG1 -0.016 REMARK 500 21 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 21 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 21 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 22 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 22 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 22 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 22 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 22 THR A 134 CB THR A 134 OG1 -0.017 REMARK 500 23 THR A 90 CB THR A 90 OG1 -0.017 REMARK 500 23 THR A 94 CB THR A 94 OG1 -0.017 REMARK 500 23 THR A 114 CB THR A 114 OG1 -0.017 REMARK 500 23 LYS A 122 CE LYS A 122 NZ -0.029 REMARK 500 23 THR A 134 CB THR A 134 OG1 -0.017 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: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 1 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 1 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 1 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 2 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 2 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 2 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 2 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 3 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 3 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 3 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 3 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 4 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 4 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.6 DEGREES REMARK 500 4 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 4 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 5 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 5 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.6 DEGREES REMARK 500 5 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 5 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 6 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 6 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 6 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 6 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 7 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 7 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 7 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 7 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 8 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 8 THR A 94 CA - CB - CG2 ANGL. DEV. = 3.0 DEGREES REMARK 500 8 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 8 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 9 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 9 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 9 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 9 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 10 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 10 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 10 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 10 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 11 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 11 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 11 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 11 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 12 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 12 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 12 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 12 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 13 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 13 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 13 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 13 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.6 DEGREES REMARK 500 14 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 14 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 14 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 14 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 15 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 15 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 15 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 15 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 16 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 16 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.6 DEGREES REMARK 500 16 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 16 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 17 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 17 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 17 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 17 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 18 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 18 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 18 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 18 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 19 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 19 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.6 DEGREES REMARK 500 19 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 19 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 20 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 20 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.9 DEGREES REMARK 500 20 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 20 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 21 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 21 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 21 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 21 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 22 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 22 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 22 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 22 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.7 DEGREES REMARK 500 23 THR A 90 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 23 THR A 94 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 23 THR A 114 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 23 THR A 134 CA - CB - CG2 ANGL. DEV. = 2.8 DEGREES REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 ALA A 101 137.57 59.31 REMARK 500 1 SER A 132 164.53 53.42 REMARK 500 2 ALA A 101 124.93 56.83 REMARK 500 2 PHE A 148 129.84 57.70 REMARK 500 3 ALA A 101 125.64 57.01 REMARK 500 6 SER A 132 141.01 64.90 REMARK 500 7 VAL A 88 162.55 55.16 REMARK 500 7 SER A 132 162.96 54.24 REMARK 500 7 PHE A 148 140.96 62.35 REMARK 500 9 SER A 132 133.41 65.61 REMARK 500 9 PHE A 148 157.24 55.29 REMARK 500 10 ALA A 101 126.69 56.81 REMARK 500 11 PHE A 148 122.03 56.66 REMARK 500 12 PHE A 148 156.89 58.34 REMARK 500 13 ALA A 101 134.12 58.07 REMARK 500 13 SER A 132 157.41 62.05 REMARK 500 15 SER A 132 132.68 59.02 REMARK 500 17 ALA A 101 139.92 57.85 REMARK 500 17 SER A 132 139.39 61.56 REMARK 500 18 MET A 87 163.47 65.18 REMARK 500 18 ALA A 101 132.40 58.56 REMARK 500 18 SER A 132 135.66 63.50 REMARK 500 20 ALA A 101 134.88 60.35 REMARK 500 20 SER A 132 130.78 74.42 REMARK 500 21 SER A 132 164.02 76.32 REMARK 500 22 ALA A 101 129.40 58.07 REMARK 500 22 SER A 132 126.55 65.86 REMARK 500 22 PHE A 148 122.74 64.25 DBREF 2BDO A 77 156 UNP P0ABD8 BCCP_ECOLI 77 156 SEQRES 1 A 80 GLU ILE SER GLY HIS ILE VAL ARG SER PRO MET VAL GLY SEQRES 2 A 80 THR PHE TYR ARG THR PRO SER PRO ASP ALA LYS ALA PHE SEQRES 3 A 80 ILE GLU VAL GLY GLN LYS VAL ASN VAL GLY ASP THR LEU SEQRES 4 A 80 CYS ILE VAL GLU ALA MET LYS MET MET ASN GLN ILE GLU SEQRES 5 A 80 ALA ASP LYS SER GLY THR VAL LYS ALA ILE LEU VAL GLU SEQRES 6 A 80 SER GLY GLN PRO VAL GLU PHE ASP GLU PRO LEU VAL VAL SEQRES 7 A 80 ILE GLU HET BTN A 222 30 HETNAM BTN BIOTIN FORMUL 2 BTN C10 H16 N2 O3 S SHEET 1 A 2 HIS A 81 ARG A 84 0 SHEET 2 A 2 PRO A 151 ILE A 155 -1 N ILE A 155 O HIS A 81 SHEET 1 B 2 ASP A 113 CYS A 116 0 SHEET 2 B 2 ILE A 127 ALA A 129 -1 N ALA A 129 O ASP A 113 LINK C11 BTN A 222 NZ LYS A 122 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 MODEL 1 ATOM 1 N GLU A 77 15.143 18.746 -1.858 1.00 0.00 N ATOM 2 CA GLU A 77 15.442 17.319 -1.889 1.00 0.00 C ATOM 3 C GLU A 77 14.161 16.495 -1.961 1.00 0.00 C ATOM 4 O GLU A 77 13.178 16.798 -1.284 1.00 0.00 O ATOM 5 CB GLU A 77 16.251 16.921 -0.653 1.00 0.00 C ATOM 6 CG GLU A 77 15.452 16.968 0.638 1.00 0.00 C ATOM 7 CD GLU A 77 15.999 17.981 1.625 1.00 0.00 C ATOM 8 OE1 GLU A 77 15.848 19.195 1.375 1.00 0.00 O ATOM 9 OE2 GLU A 77 16.579 17.560 2.649 1.00 0.00 O ATOM 10 HA GLU A 77 16.032 17.124 -2.772 1.00 0.00 H ATOM 11 HB2 GLU A 77 16.618 15.913 -0.788 1.00 0.00 H ATOM 12 HB3 GLU A 77 17.093 17.592 -0.556 1.00 0.00 H ATOM 13 HG2 GLU A 77 14.431 17.230 0.406 1.00 0.00 H ATOM 14 HG3 GLU A 77 15.477 15.990 1.097 1.00 0.00 H ATOM 15 H1 GLU A 77 15.517 19.298 -1.141 1.00 0.00 H ATOM 16 N ILE A 78 14.178 15.455 -2.787 1.00 0.00 N ATOM 17 CA ILE A 78 13.020 14.588 -2.949 1.00 0.00 C ATOM 18 C ILE A 78 12.781 13.748 -1.699 1.00 0.00 C ATOM 19 O ILE A 78 13.711 13.464 -0.944 1.00 0.00 O ATOM 20 CB ILE A 78 13.190 13.651 -4.158 1.00 0.00 C ATOM 21 CG1 ILE A 78 14.599 13.056 -4.179 1.00 0.00 C ATOM 22 CG2 ILE A 78 12.906 14.400 -5.453 1.00 0.00 C ATOM 23 CD1 ILE A 78 14.622 11.570 -4.459 1.00 0.00 C ATOM 24 H ILE A 78 14.990 15.265 -3.301 1.00 0.00 H ATOM 25 HA ILE A 78 12.156 15.213 -3.122 1.00 0.00 H ATOM 26 HB ILE A 78 12.471 12.853 -4.070 1.00 0.00 H ATOM 27 HG12 ILE A 78 15.178 13.547 -4.946 1.00 0.00 H ATOM 28 HG13 ILE A 78 15.066 13.222 -3.219 1.00 0.00 H ATOM 29 HG21 ILE A 78 12.108 15.109 -5.291 1.00 0.00 H ATOM 30 HG22 ILE A 78 13.795 14.926 -5.767 1.00 0.00 H ATOM 31 HG23 ILE A 78 12.613 13.697 -6.218 1.00 0.00 H ATOM 32 HD11 ILE A 78 13.949 11.346 -5.273 1.00 0.00 H ATOM 33 HD12 ILE A 78 15.625 11.270 -4.727 1.00 0.00 H ATOM 34 HD13 ILE A 78 14.310 11.032 -3.575 1.00 0.00 H ATOM 35 N SER A 79 11.530 13.353 -1.487 1.00 0.00 N ATOM 36 CA SER A 79 11.170 12.545 -0.328 1.00 0.00 C ATOM 37 C SER A 79 10.909 11.098 -0.732 1.00 0.00 C ATOM 38 O SER A 79 10.059 10.424 -0.150 1.00 0.00 O ATOM 39 CB SER A 79 9.933 13.124 0.360 1.00 0.00 C ATOM 40 OG SER A 79 9.315 14.110 -0.449 1.00 0.00 O ATOM 41 H SER A 79 10.833 13.610 -2.125 1.00 0.00 H ATOM 42 HA SER A 79 11.999 12.569 0.364 1.00 0.00 H ATOM 43 HB2 SER A 79 9.224 12.332 0.546 1.00 0.00 H ATOM 44 HB3 SER A 79 10.223 13.575 1.298 1.00 0.00 H ATOM 45 HG SER A 79 8.829 14.723 0.109 1.00 0.00 H ATOM 46 N GLY A 80 11.645 10.626 -1.733 1.00 0.00 N ATOM 47 CA GLY A 80 11.478 9.263 -2.198 1.00 0.00 C ATOM 48 C GLY A 80 10.320 9.115 -3.165 1.00 0.00 C ATOM 49 O GLY A 80 10.212 9.868 -4.133 1.00 0.00 O ATOM 50 H GLY A 80 12.308 11.210 -2.159 1.00 0.00 H ATOM 51 HA2 GLY A 80 12.386 8.949 -2.691 1.00 0.00 H ATOM 52 HA3 GLY A 80 11.304 8.622 -1.346 1.00 0.00 H ATOM 53 N HIS A 81 9.452 8.144 -2.903 1.00 0.00 N ATOM 54 CA HIS A 81 8.296 7.899 -3.759 1.00 0.00 C ATOM 55 C HIS A 81 7.047 7.641 -2.923 1.00 0.00 C ATOM 56 O HIS A 81 7.084 6.890 -1.948 1.00 0.00 O ATOM 57 CB HIS A 81 8.557 6.709 -4.688 1.00 0.00 C ATOM 58 CG HIS A 81 9.865 6.025 -4.440 1.00 0.00 C ATOM 59 ND1 HIS A 81 11.083 6.664 -4.550 1.00 0.00 N ATOM 60 CD2 HIS A 81 10.144 4.748 -4.082 1.00 0.00 C ATOM 61 CE1 HIS A 81 12.052 5.811 -4.273 1.00 0.00 C ATOM 62 NE2 HIS A 81 11.509 4.642 -3.986 1.00 0.00 N ATOM 63 H HIS A 81 9.593 7.577 -2.116 1.00 0.00 H ATOM 64 HA HIS A 81 8.135 8.783 -4.358 1.00 0.00 H ATOM 65 HB2 HIS A 81 7.772 5.980 -4.555 1.00 0.00 H ATOM 66 HB3 HIS A 81 8.549 7.054 -5.712 1.00 0.00 H ATOM 67 HD1 HIS A 81 11.215 7.604 -4.796 1.00 0.00 H ATOM 68 HD2 HIS A 81 9.426 3.960 -3.907 1.00 0.00 H ATOM 69 HE1 HIS A 81 13.110 6.033 -4.279 1.00 0.00 H ATOM 70 HE2 HIS A 81 12.007 3.815 -3.819 1.00 0.00 H ATOM 71 N ILE A 82 5.941 8.265 -3.313 1.00 0.00 N ATOM 72 CA ILE A 82 4.680 8.101 -2.600 1.00 0.00 C ATOM 73 C ILE A 82 3.633 7.431 -3.482 1.00 0.00 C ATOM 74 O ILE A 82 3.410 7.844 -4.621 1.00 0.00 O ATOM 75 CB ILE A 82 4.132 9.454 -2.107 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.231 10.239 -1.385 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.932 9.238 -1.196 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.703 11.248 -0.388 1.00 0.00 C ATOM 79 H ILE A 82 5.973 8.850 -4.098 1.00 0.00 H ATOM 80 HA ILE A 82 4.863 7.476 -1.738 1.00 0.00 H ATOM 81 HB ILE A 82 3.802 10.017 -2.967 1.00 0.00 H ATOM 82 HG12 ILE A 82 5.866 9.549 -0.851 1.00 0.00 H ATOM 83 HG13 ILE A 82 5.822 10.772 -2.115 1.00 0.00 H ATOM 84 HG21 ILE A 82 2.521 8.255 -1.368 1.00 0.00 H ATOM 85 HG22 ILE A 82 3.244 9.322 -0.165 1.00 0.00 H ATOM 86 HG23 ILE A 82 2.181 9.986 -1.406 1.00 0.00 H ATOM 87 HD11 ILE A 82 3.659 11.439 -0.586 1.00 0.00 H ATOM 88 HD12 ILE A 82 4.814 10.856 0.613 1.00 0.00 H ATOM 89 HD13 ILE A 82 5.262 12.168 -0.477 1.00 0.00 H ATOM 90 N VAL A 83 2.993 6.396 -2.951 1.00 0.00 N ATOM 91 CA VAL A 83 1.970 5.667 -3.690 1.00 0.00 C ATOM 92 C VAL A 83 0.571 6.095 -3.257 1.00 0.00 C ATOM 93 O VAL A 83 0.139 5.802 -2.141 1.00 0.00 O ATOM 94 CB VAL A 83 2.112 4.146 -3.495 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.271 3.395 -4.516 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.574 3.731 -3.589 1.00 0.00 C ATOM 97 H VAL A 83 3.215 6.113 -2.039 1.00 0.00 H ATOM 98 HA VAL A 83 2.095 5.889 -4.740 1.00 0.00 H ATOM 99 HB VAL A 83 1.750 3.894 -2.509 1.00 0.00 H ATOM 100 HG11 VAL A 83 0.314 3.883 -4.624 1.00 0.00 H ATOM 101 HG12 VAL A 83 1.781 3.389 -5.468 1.00 0.00 H ATOM 102 HG13 VAL A 83 1.122 2.379 -4.181 1.00 0.00 H ATOM 103 HG21 VAL A 83 4.154 4.545 -3.996 1.00 0.00 H ATOM 104 HG22 VAL A 83 3.941 3.485 -2.603 1.00 0.00 H ATOM 105 HG23 VAL A 83 3.662 2.868 -4.231 1.00 0.00 H ATOM 106 N ARG A 84 -0.133 6.789 -4.145 1.00 0.00 N ATOM 107 CA ARG A 84 -1.483 7.257 -3.852 1.00 0.00 C ATOM 108 C ARG A 84 -2.527 6.285 -4.393 1.00 0.00 C ATOM 109 O ARG A 84 -2.451 5.851 -5.543 1.00 0.00 O ATOM 110 CB ARG A 84 -1.705 8.647 -4.452 1.00 0.00 C ATOM 111 CG ARG A 84 -1.890 9.736 -3.407 1.00 0.00 C ATOM 112 CD ARG A 84 -2.184 11.081 -4.050 1.00 0.00 C ATOM 113 NE ARG A 84 -0.961 11.800 -4.398 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.306 11.625 -5.540 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.757 10.764 -6.441 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.802 12.313 -5.783 1.00 0.00 N ATOM 117 H ARG A 84 0.265 6.992 -5.017 1.00 0.00 H ATOM 118 HA ARG A 84 -1.587 7.317 -2.780 1.00 0.00 H ATOM 119 HB2 ARG A 84 -0.851 8.904 -5.061 1.00 0.00 H ATOM 120 HB3 ARG A 84 -2.587 8.622 -5.074 1.00 0.00 H ATOM 121 HG2 ARG A 84 -2.715 9.468 -2.764 1.00 0.00 H ATOM 122 HG3 ARG A 84 -0.986 9.817 -2.821 1.00 0.00 H ATOM 123 HD2 ARG A 84 -2.762 10.918 -4.948 1.00 0.00 H ATOM 124 HD3 ARG A 84 -2.758 11.679 -3.357 1.00 0.00 H ATOM 125 HE ARG A 84 -0.612 12.444 -3.746 1.00 0.00 H ATOM 126 HH11 ARG A 84 -1.594 10.245 -6.260 1.00 0.00 H ATOM 127 HH12 ARG A 84 -0.263 10.633 -7.300 1.00 0.00 H ATOM 128 HH21 ARG A 84 1.144 12.964 -5.106 1.00 0.00 H ATOM 129 HH22 ARG A 84 1.294 12.179 -6.643 1.00 0.00 H ATOM 130 N SER A 85 -3.502 5.947 -3.555 1.00 0.00 N ATOM 131 CA SER A 85 -4.563 5.026 -3.945 1.00 0.00 C ATOM 132 C SER A 85 -5.215 5.468 -5.252 1.00 0.00 C ATOM 133 O SER A 85 -5.622 6.620 -5.397 1.00 0.00 O ATOM 134 CB SER A 85 -5.617 4.932 -2.841 1.00 0.00 C ATOM 135 OG SER A 85 -6.833 5.539 -3.243 1.00 0.00 O ATOM 136 H SER A 85 -3.507 6.326 -2.652 1.00 0.00 H ATOM 137 HA SER A 85 -4.119 4.052 -4.090 1.00 0.00 H ATOM 138 HB2 SER A 85 -5.808 3.893 -2.615 1.00 0.00 H ATOM 139 HB3 SER A 85 -5.253 5.432 -1.956 1.00 0.00 H ATOM 140 HG SER A 85 -7.425 5.602 -2.489 1.00 0.00 H ATOM 141 N PRO A 86 -5.321 4.548 -6.223 1.00 0.00 N ATOM 142 CA PRO A 86 -5.924 4.835 -7.526 1.00 0.00 C ATOM 143 C PRO A 86 -7.447 4.883 -7.461 1.00 0.00 C ATOM 144 O PRO A 86 -8.093 5.512 -8.300 1.00 0.00 O ATOM 145 CB PRO A 86 -5.463 3.658 -8.384 1.00 0.00 C ATOM 146 CG PRO A 86 -5.303 2.533 -7.421 1.00 0.00 C ATOM 147 CD PRO A 86 -4.855 3.152 -6.121 1.00 0.00 C ATOM 148 HA PRO A 86 -5.550 5.758 -7.942 1.00 0.00 H ATOM 149 HB2 PRO A 86 -6.212 3.439 -9.131 1.00 0.00 H ATOM 150 HB3 PRO A 86 -4.528 3.902 -8.864 1.00 0.00 H ATOM 151 HG2 PRO A 86 -6.247 2.027 -7.289 1.00 0.00 H ATOM 152 HG3 PRO A 86 -4.554 1.844 -7.783 1.00 0.00 H ATOM 153 HD2 PRO A 86 -5.322 2.651 -5.286 1.00 0.00 H ATOM 154 HD3 PRO A 86 -3.781 3.110 -6.035 1.00 0.00 H ATOM 155 N MET A 87 -8.013 4.213 -6.463 1.00 0.00 N ATOM 156 CA MET A 87 -9.461 4.179 -6.293 1.00 0.00 C ATOM 157 C MET A 87 -9.841 4.181 -4.816 1.00 0.00 C ATOM 158 O MET A 87 -9.010 4.454 -3.950 1.00 0.00 O ATOM 159 CB MET A 87 -10.045 2.942 -6.977 1.00 0.00 C ATOM 160 CG MET A 87 -10.938 3.268 -8.162 1.00 0.00 C ATOM 161 SD MET A 87 -10.360 2.517 -9.695 1.00 0.00 S ATOM 162 CE MET A 87 -10.814 0.806 -9.425 1.00 0.00 C ATOM 163 H MET A 87 -7.446 3.730 -5.827 1.00 0.00 H ATOM 164 HA MET A 87 -9.870 5.062 -6.758 1.00 0.00 H ATOM 165 HB2 MET A 87 -9.233 2.322 -7.326 1.00 0.00 H ATOM 166 HB3 MET A 87 -10.627 2.387 -6.257 1.00 0.00 H ATOM 167 HG2 MET A 87 -11.934 2.906 -7.954 1.00 0.00 H ATOM 168 HG3 MET A 87 -10.966 4.341 -8.290 1.00 0.00 H ATOM 169 HE1 MET A 87 -11.830 0.756 -9.061 1.00 0.00 H ATOM 170 HE2 MET A 87 -10.736 0.262 -10.354 1.00 0.00 H ATOM 171 HE3 MET A 87 -10.149 0.368 -8.695 1.00 0.00 H ATOM 172 N VAL A 88 -11.105 3.875 -4.537 1.00 0.00 N ATOM 173 CA VAL A 88 -11.600 3.841 -3.167 1.00 0.00 C ATOM 174 C VAL A 88 -11.852 2.409 -2.709 1.00 0.00 C ATOM 175 O VAL A 88 -12.324 1.574 -3.480 1.00 0.00 O ATOM 176 CB VAL A 88 -12.902 4.652 -3.023 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.559 4.380 -1.677 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.629 6.137 -3.200 1.00 0.00 C ATOM 179 H VAL A 88 -11.718 3.668 -5.272 1.00 0.00 H ATOM 180 HA VAL A 88 -10.850 4.287 -2.530 1.00 0.00 H ATOM 181 HB VAL A 88 -13.586 4.338 -3.799 1.00 0.00 H ATOM 182 HG11 VAL A 88 -12.873 3.832 -1.047 1.00 0.00 H ATOM 183 HG12 VAL A 88 -13.812 5.317 -1.203 1.00 0.00 H ATOM 184 HG13 VAL A 88 -14.456 3.797 -1.825 1.00 0.00 H ATOM 185 HG21 VAL A 88 -11.595 6.282 -3.475 1.00 0.00 H ATOM 186 HG22 VAL A 88 -13.266 6.530 -3.979 1.00 0.00 H ATOM 187 HG23 VAL A 88 -12.832 6.655 -2.274 1.00 0.00 H ATOM 188 N GLY A 89 -11.534 2.132 -1.448 1.00 0.00 N ATOM 189 CA GLY A 89 -11.733 0.801 -0.907 1.00 0.00 C ATOM 190 C GLY A 89 -11.453 0.732 0.581 1.00 0.00 C ATOM 191 O GLY A 89 -12.070 1.448 1.370 1.00 0.00 O ATOM 192 H GLY A 89 -11.162 2.840 -0.880 1.00 0.00 H ATOM 193 HA2 GLY A 89 -12.756 0.502 -1.084 1.00 0.00 H ATOM 194 HA3 GLY A 89 -11.074 0.115 -1.418 1.00 0.00 H ATOM 195 N THR A 90 -10.520 -0.132 0.966 1.00 0.00 N ATOM 196 CA THR A 90 -10.159 -0.293 2.369 1.00 0.00 C ATOM 197 C THR A 90 -8.709 -0.748 2.508 1.00 0.00 C ATOM 198 O THR A 90 -8.375 -1.892 2.197 1.00 0.00 O ATOM 199 CB THR A 90 -11.089 -1.301 3.044 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.445 -0.944 2.843 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.863 -1.419 4.536 1.00 0.00 C ATOM 202 H THR A 90 -10.064 -0.675 0.290 1.00 0.00 H ATOM 203 HA THR A 90 -10.270 0.666 2.852 1.00 0.00 H ATOM 204 HB THR A 90 -10.926 -2.276 2.608 1.00 0.00 H ATOM 205 HG1 THR A 90 -13.009 -1.516 3.370 1.00 0.00 H ATOM 206 HG21 THR A 90 -9.802 -1.415 4.741 1.00 0.00 H ATOM 207 HG22 THR A 90 -11.329 -0.584 5.039 1.00 0.00 H ATOM 208 HG23 THR A 90 -11.295 -2.342 4.895 1.00 0.00 H ATOM 209 N PHE A 91 -7.853 0.154 2.977 1.00 0.00 N ATOM 210 CA PHE A 91 -6.439 -0.155 3.156 1.00 0.00 C ATOM 211 C PHE A 91 -6.246 -1.225 4.226 1.00 0.00 C ATOM 212 O PHE A 91 -7.173 -1.547 4.970 1.00 0.00 O ATOM 213 CB PHE A 91 -5.665 1.108 3.536 1.00 0.00 C ATOM 214 CG PHE A 91 -4.176 0.959 3.413 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.607 0.487 2.235 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.340 1.292 4.474 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.232 0.349 2.118 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.966 1.155 4.363 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.411 0.683 3.184 1.00 0.00 C ATOM 220 H PHE A 91 -8.180 1.049 3.208 1.00 0.00 H ATOM 221 HA PHE A 91 -6.060 -0.529 2.217 1.00 0.00 H ATOM 222 HB2 PHE A 91 -5.972 1.918 2.891 1.00 0.00 H ATOM 223 HB3 PHE A 91 -5.890 1.366 4.563 1.00 0.00 H ATOM 224 HD1 PHE A 91 -4.246 0.227 1.405 1.00 0.00 H ATOM 225 HD2 PHE A 91 -3.773 1.660 5.393 1.00 0.00 H ATOM 226 HE1 PHE A 91 -1.801 -0.020 1.199 1.00 0.00 H ATOM 227 HE2 PHE A 91 -1.328 1.417 5.194 1.00 0.00 H ATOM 228 HZ PHE A 91 -0.341 0.576 3.095 1.00 0.00 H ATOM 229 N TYR A 92 -5.037 -1.774 4.296 1.00 0.00 N ATOM 230 CA TYR A 92 -4.724 -2.809 5.275 1.00 0.00 C ATOM 231 C TYR A 92 -3.219 -3.049 5.356 1.00 0.00 C ATOM 232 O TYR A 92 -2.473 -2.689 4.444 1.00 0.00 O ATOM 233 CB TYR A 92 -5.434 -4.111 4.909 1.00 0.00 C ATOM 234 CG TYR A 92 -6.892 -4.146 5.310 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.316 -3.603 6.521 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.847 -4.724 4.475 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.651 -3.636 6.890 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.185 -4.761 4.837 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.581 -4.215 6.045 1.00 0.00 C ATOM 240 OH TYR A 92 -10.908 -4.250 6.408 1.00 0.00 O ATOM 241 H TYR A 92 -4.340 -1.477 3.676 1.00 0.00 H ATOM 242 HA TYR A 92 -5.080 -2.476 6.234 1.00 0.00 H ATOM 243 HB2 TYR A 92 -5.382 -4.247 3.843 1.00 0.00 H ATOM 244 HB3 TYR A 92 -4.934 -4.936 5.399 1.00 0.00 H ATOM 245 HD1 TYR A 92 -6.587 -3.151 7.178 1.00 0.00 H ATOM 246 HD2 TYR A 92 -7.533 -5.149 3.533 1.00 0.00 H ATOM 247 HE1 TYR A 92 -8.962 -3.210 7.833 1.00 0.00 H ATOM 248 HE2 TYR A 92 -9.910 -5.213 4.176 1.00 0.00 H ATOM 249 HH TYR A 92 -11.014 -4.811 7.180 1.00 0.00 H ATOM 250 N ARG A 93 -2.779 -3.664 6.450 1.00 0.00 N ATOM 251 CA ARG A 93 -1.362 -3.957 6.646 1.00 0.00 C ATOM 252 C ARG A 93 -1.133 -5.455 6.803 1.00 0.00 C ATOM 253 O ARG A 93 -0.043 -5.958 6.526 1.00 0.00 O ATOM 254 CB ARG A 93 -0.826 -3.231 7.879 1.00 0.00 C ATOM 255 CG ARG A 93 -1.492 -1.890 8.133 1.00 0.00 C ATOM 256 CD ARG A 93 -0.470 -0.807 8.441 1.00 0.00 C ATOM 257 NE ARG A 93 -0.651 -0.245 9.777 1.00 0.00 N ATOM 258 CZ ARG A 93 0.028 0.803 10.231 1.00 0.00 C ATOM 259 NH1 ARG A 93 0.927 1.399 9.460 1.00 0.00 N ATOM 260 NH2 ARG A 93 -0.193 1.257 11.457 1.00 0.00 N ATOM 261 H ARG A 93 -3.422 -3.930 7.139 1.00 0.00 H ATOM 262 HA ARG A 93 -0.827 -3.613 5.774 1.00 0.00 H ATOM 263 HB2 ARG A 93 -0.980 -3.858 8.747 1.00 0.00 H ATOM 264 HB3 ARG A 93 0.233 -3.064 7.752 1.00 0.00 H ATOM 265 HG2 ARG A 93 -2.047 -1.606 7.253 1.00 0.00 H ATOM 266 HG3 ARG A 93 -2.167 -1.986 8.972 1.00 0.00 H ATOM 267 HD2 ARG A 93 0.519 -1.235 8.371 1.00 0.00 H ATOM 268 HD3 ARG A 93 -0.571 -0.018 7.710 1.00 0.00 H ATOM 269 HE ARG A 93 -1.311 -0.671 10.363 1.00 0.00 H ATOM 270 HH11 ARG A 93 1.096 1.059 8.535 1.00 0.00 H ATOM 271 HH12 ARG A 93 1.436 2.188 9.805 1.00 0.00 H ATOM 272 HH21 ARG A 93 -0.870 0.810 12.042 1.00 0.00 H ATOM 273 HH22 ARG A 93 0.319 2.047 11.798 1.00 0.00 H ATOM 274 N THR A 94 -2.161 -6.163 7.256 1.00 0.00 N ATOM 275 CA THR A 94 -2.062 -7.601 7.456 1.00 0.00 C ATOM 276 C THR A 94 -3.304 -8.310 6.941 1.00 0.00 C ATOM 277 O THR A 94 -4.283 -8.470 7.668 1.00 0.00 O ATOM 278 CB THR A 94 -1.868 -7.916 8.939 1.00 0.00 C ATOM 279 OG1 THR A 94 -2.661 -7.061 9.742 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.434 -7.776 9.397 1.00 0.00 C ATOM 281 H THR A 94 -3.003 -5.709 7.465 1.00 0.00 H ATOM 282 HA THR A 94 -1.203 -7.954 6.906 1.00 0.00 H ATOM 283 HB THR A 94 -2.175 -8.936 9.122 1.00 0.00 H ATOM 284 HG1 THR A 94 -2.495 -6.148 9.499 1.00 0.00 H ATOM 285 HG21 THR A 94 -0.011 -6.872 8.982 1.00 0.00 H ATOM 286 HG22 THR A 94 -0.404 -7.725 10.475 1.00 0.00 H ATOM 287 HG23 THR A 94 0.135 -8.631 9.062 1.00 0.00 H ATOM 288 N PRO A 95 -3.274 -8.755 5.677 1.00 0.00 N ATOM 289 CA PRO A 95 -4.398 -9.466 5.066 1.00 0.00 C ATOM 290 C PRO A 95 -4.783 -10.695 5.876 1.00 0.00 C ATOM 291 O PRO A 95 -4.810 -10.645 7.104 1.00 0.00 O ATOM 292 CB PRO A 95 -3.871 -9.855 3.681 1.00 0.00 C ATOM 293 CG PRO A 95 -2.754 -8.906 3.414 1.00 0.00 C ATOM 294 CD PRO A 95 -2.140 -8.608 4.752 1.00 0.00 C ATOM 295 HA PRO A 95 -5.258 -8.829 4.960 1.00 0.00 H ATOM 296 HB2 PRO A 95 -3.523 -10.877 3.699 1.00 0.00 H ATOM 297 HB3 PRO A 95 -4.661 -9.748 2.952 1.00 0.00 H ATOM 298 HG2 PRO A 95 -2.027 -9.368 2.761 1.00 0.00 H ATOM 299 HG3 PRO A 95 -3.139 -8.001 2.969 1.00 0.00 H ATOM 300 HD2 PRO A 95 -1.361 -9.321 4.978 1.00 0.00 H ATOM 301 HD3 PRO A 95 -1.751 -7.601 4.774 1.00 0.00 H ATOM 302 N SER A 96 -5.082 -11.794 5.188 1.00 0.00 N ATOM 303 CA SER A 96 -5.463 -13.037 5.855 1.00 0.00 C ATOM 304 C SER A 96 -4.791 -13.143 7.222 1.00 0.00 C ATOM 305 O SER A 96 -3.593 -13.409 7.319 1.00 0.00 O ATOM 306 CB SER A 96 -5.084 -14.241 4.992 1.00 0.00 C ATOM 307 OG SER A 96 -4.934 -13.868 3.634 1.00 0.00 O ATOM 308 H SER A 96 -5.047 -11.767 4.212 1.00 0.00 H ATOM 309 HA SER A 96 -6.534 -13.026 5.993 1.00 0.00 H ATOM 310 HB2 SER A 96 -4.148 -14.653 5.344 1.00 0.00 H ATOM 311 HB3 SER A 96 -5.858 -14.991 5.064 1.00 0.00 H ATOM 312 HG SER A 96 -4.091 -13.424 3.513 1.00 0.00 H ATOM 313 N PRO A 97 -5.565 -12.922 8.295 1.00 0.00 N ATOM 314 CA PRO A 97 -5.069 -12.976 9.665 1.00 0.00 C ATOM 315 C PRO A 97 -3.935 -13.977 9.847 1.00 0.00 C ATOM 316 O PRO A 97 -3.047 -13.779 10.676 1.00 0.00 O ATOM 317 CB PRO A 97 -6.317 -13.399 10.429 1.00 0.00 C ATOM 318 CG PRO A 97 -7.435 -12.722 9.702 1.00 0.00 C ATOM 319 CD PRO A 97 -7.000 -12.593 8.258 1.00 0.00 C ATOM 320 HA PRO A 97 -4.748 -12.004 10.007 1.00 0.00 H ATOM 321 HB2 PRO A 97 -6.413 -14.475 10.400 1.00 0.00 H ATOM 322 HB3 PRO A 97 -6.250 -13.062 11.452 1.00 0.00 H ATOM 323 HG2 PRO A 97 -8.330 -13.320 9.767 1.00 0.00 H ATOM 324 HG3 PRO A 97 -7.607 -11.745 10.127 1.00 0.00 H ATOM 325 HD2 PRO A 97 -7.538 -13.294 7.638 1.00 0.00 H ATOM 326 HD3 PRO A 97 -7.154 -11.583 7.907 1.00 0.00 H ATOM 327 N ASP A 98 -3.961 -15.047 9.061 1.00 0.00 N ATOM 328 CA ASP A 98 -2.925 -16.067 9.133 1.00 0.00 C ATOM 329 C ASP A 98 -1.852 -15.816 8.077 1.00 0.00 C ATOM 330 O ASP A 98 -1.393 -16.746 7.414 1.00 0.00 O ATOM 331 CB ASP A 98 -3.533 -17.457 8.941 1.00 0.00 C ATOM 332 CG ASP A 98 -4.786 -17.659 9.769 1.00 0.00 C ATOM 333 OD1 ASP A 98 -4.818 -17.182 10.923 1.00 0.00 O ATOM 334 OD2 ASP A 98 -5.737 -18.291 9.264 1.00 0.00 O ATOM 335 H ASP A 98 -4.688 -15.147 8.414 1.00 0.00 H ATOM 336 HA ASP A 98 -2.472 -16.013 10.111 1.00 0.00 H ATOM 337 HB2 ASP A 98 -3.787 -17.591 7.900 1.00 0.00 H ATOM 338 HB3 ASP A 98 -2.808 -18.204 9.229 1.00 0.00 H ATOM 339 N ALA A 99 -1.460 -14.553 7.924 1.00 0.00 N ATOM 340 CA ALA A 99 -0.444 -14.184 6.945 1.00 0.00 C ATOM 341 C ALA A 99 0.848 -13.752 7.628 1.00 0.00 C ATOM 342 O ALA A 99 1.070 -14.045 8.803 1.00 0.00 O ATOM 343 CB ALA A 99 -0.964 -13.075 6.042 1.00 0.00 C ATOM 344 H ALA A 99 -1.864 -13.852 8.481 1.00 0.00 H ATOM 345 HA ALA A 99 -0.243 -15.050 6.332 1.00 0.00 H ATOM 346 HB1 ALA A 99 -1.976 -13.299 5.741 1.00 0.00 H ATOM 347 HB2 ALA A 99 -0.947 -12.137 6.578 1.00 0.00 H ATOM 348 HB3 ALA A 99 -0.335 -12.999 5.167 1.00 0.00 H ATOM 349 N LYS A 100 1.697 -13.051 6.884 1.00 0.00 N ATOM 350 CA LYS A 100 2.969 -12.576 7.415 1.00 0.00 C ATOM 351 C LYS A 100 3.070 -11.057 7.301 1.00 0.00 C ATOM 352 O LYS A 100 4.160 -10.506 7.152 1.00 0.00 O ATOM 353 CB LYS A 100 4.134 -13.232 6.672 1.00 0.00 C ATOM 354 CG LYS A 100 5.049 -14.046 7.574 1.00 0.00 C ATOM 355 CD LYS A 100 6.402 -14.286 6.923 1.00 0.00 C ATOM 356 CE LYS A 100 7.535 -14.143 7.926 1.00 0.00 C ATOM 357 NZ LYS A 100 8.857 -14.001 7.254 1.00 0.00 N ATOM 358 H LYS A 100 1.462 -12.848 5.955 1.00 0.00 H ATOM 359 HA LYS A 100 3.017 -12.850 8.458 1.00 0.00 H ATOM 360 HB2 LYS A 100 3.737 -13.889 5.912 1.00 0.00 H ATOM 361 HB3 LYS A 100 4.724 -12.462 6.198 1.00 0.00 H ATOM 362 HG2 LYS A 100 5.196 -13.510 8.499 1.00 0.00 H ATOM 363 HG3 LYS A 100 4.583 -14.999 7.776 1.00 0.00 H ATOM 364 HD2 LYS A 100 6.422 -15.284 6.513 1.00 0.00 H ATOM 365 HD3 LYS A 100 6.542 -13.566 6.129 1.00 0.00 H ATOM 366 HE2 LYS A 100 7.355 -13.267 8.532 1.00 0.00 H ATOM 367 HE3 LYS A 100 7.553 -15.019 8.557 1.00 0.00 H ATOM 368 HZ1 LYS A 100 8.728 -13.924 6.225 1.00 0.00 H ATOM 369 HZ2 LYS A 100 9.343 -13.148 7.596 1.00 0.00 H ATOM 370 HZ3 LYS A 100 9.451 -14.831 7.456 1.00 0.00 H ATOM 371 N ALA A 101 1.924 -10.388 7.373 1.00 0.00 N ATOM 372 CA ALA A 101 1.880 -8.934 7.278 1.00 0.00 C ATOM 373 C ALA A 101 2.460 -8.451 5.954 1.00 0.00 C ATOM 374 O ALA A 101 3.487 -8.950 5.494 1.00 0.00 O ATOM 375 CB ALA A 101 2.627 -8.308 8.444 1.00 0.00 C ATOM 376 H ALA A 101 1.088 -10.884 7.493 1.00 0.00 H ATOM 377 HA ALA A 101 0.846 -8.628 7.337 1.00 0.00 H ATOM 378 HB1 ALA A 101 2.780 -9.051 9.213 1.00 0.00 H ATOM 379 HB2 ALA A 101 3.583 -7.939 8.103 1.00 0.00 H ATOM 380 HB3 ALA A 101 2.048 -7.489 8.845 1.00 0.00 H ATOM 381 N PHE A 102 1.794 -7.476 5.345 1.00 0.00 N ATOM 382 CA PHE A 102 2.241 -6.921 4.073 1.00 0.00 C ATOM 383 C PHE A 102 3.468 -6.037 4.269 1.00 0.00 C ATOM 384 O PHE A 102 4.086 -6.044 5.334 1.00 0.00 O ATOM 385 CB PHE A 102 1.114 -6.118 3.421 1.00 0.00 C ATOM 386 CG PHE A 102 0.414 -6.857 2.317 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.141 -7.559 1.363 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.974 -6.848 2.229 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.498 -8.242 0.342 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.623 -7.529 1.211 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.887 -8.226 0.267 1.00 0.00 C ATOM 392 H PHE A 102 0.982 -7.119 5.762 1.00 0.00 H ATOM 393 HA PHE A 102 2.505 -7.745 3.427 1.00 0.00 H ATOM 394 HB2 PHE A 102 0.379 -5.869 4.171 1.00 0.00 H ATOM 395 HB3 PHE A 102 1.522 -5.207 3.007 1.00 0.00 H ATOM 396 HD1 PHE A 102 2.220 -7.572 1.422 1.00 0.00 H ATOM 397 HD2 PHE A 102 -1.548 -6.305 2.965 1.00 0.00 H ATOM 398 HE1 PHE A 102 1.073 -8.785 -0.393 1.00 0.00 H ATOM 399 HE2 PHE A 102 -2.702 -7.515 1.154 1.00 0.00 H ATOM 400 HZ PHE A 102 -1.390 -8.758 -0.528 1.00 0.00 H ATOM 401 N ILE A 103 3.817 -5.276 3.236 1.00 0.00 N ATOM 402 CA ILE A 103 4.971 -4.388 3.299 1.00 0.00 C ATOM 403 C ILE A 103 4.727 -3.238 4.269 1.00 0.00 C ATOM 404 O ILE A 103 4.191 -2.196 3.891 1.00 0.00 O ATOM 405 CB ILE A 103 5.311 -3.811 1.912 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.232 -4.904 0.846 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.696 -3.178 1.927 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.975 -6.167 1.219 1.00 0.00 C ATOM 409 H ILE A 103 3.286 -5.314 2.413 1.00 0.00 H ATOM 410 HA ILE A 103 5.818 -4.964 3.645 1.00 0.00 H ATOM 411 HB ILE A 103 4.593 -3.038 1.682 1.00 0.00 H ATOM 412 HG12 ILE A 103 4.196 -5.165 0.685 1.00 0.00 H ATOM 413 HG13 ILE A 103 5.651 -4.530 -0.076 1.00 0.00 H ATOM 414 HG21 ILE A 103 6.823 -2.611 2.838 1.00 0.00 H ATOM 415 HG22 ILE A 103 7.446 -3.953 1.878 1.00 0.00 H ATOM 416 HG23 ILE A 103 6.801 -2.521 1.076 1.00 0.00 H ATOM 417 HD11 ILE A 103 7.012 -5.933 1.409 1.00 0.00 H ATOM 418 HD12 ILE A 103 5.534 -6.597 2.107 1.00 0.00 H ATOM 419 HD13 ILE A 103 5.909 -6.877 0.406 1.00 0.00 H ATOM 420 N GLU A 104 5.124 -3.432 5.523 1.00 0.00 N ATOM 421 CA GLU A 104 4.950 -2.410 6.548 1.00 0.00 C ATOM 422 C GLU A 104 6.150 -1.470 6.590 1.00 0.00 C ATOM 423 O GLU A 104 7.066 -1.580 5.775 1.00 0.00 O ATOM 424 CB GLU A 104 4.747 -3.059 7.916 1.00 0.00 C ATOM 425 CG GLU A 104 3.355 -2.849 8.488 1.00 0.00 C ATOM 426 CD GLU A 104 3.345 -1.883 9.656 1.00 0.00 C ATOM 427 OE1 GLU A 104 3.613 -2.324 10.794 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.070 -0.685 9.434 1.00 0.00 O ATOM 429 H GLU A 104 5.546 -4.283 5.764 1.00 0.00 H ATOM 430 HA GLU A 104 4.069 -1.839 6.298 1.00 0.00 H ATOM 431 HB2 GLU A 104 4.917 -4.121 7.824 1.00 0.00 H ATOM 432 HB3 GLU A 104 5.465 -2.646 8.609 1.00 0.00 H ATOM 433 HG2 GLU A 104 2.716 -2.455 7.712 1.00 0.00 H ATOM 434 HG3 GLU A 104 2.970 -3.801 8.823 1.00 0.00 H ATOM 435 N VAL A 105 6.139 -0.544 7.544 1.00 0.00 N ATOM 436 CA VAL A 105 7.228 0.414 7.691 1.00 0.00 C ATOM 437 C VAL A 105 8.561 -0.297 7.896 1.00 0.00 C ATOM 438 O VAL A 105 8.602 -1.452 8.322 1.00 0.00 O ATOM 439 CB VAL A 105 6.981 1.368 8.874 1.00 0.00 C ATOM 440 CG1 VAL A 105 8.069 2.429 8.940 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.606 2.009 8.765 1.00 0.00 C ATOM 442 H VAL A 105 5.380 -0.506 8.164 1.00 0.00 H ATOM 443 HA VAL A 105 7.280 1.001 6.785 1.00 0.00 H ATOM 444 HB VAL A 105 7.015 0.793 9.788 1.00 0.00 H ATOM 445 HG11 VAL A 105 8.414 2.653 7.941 1.00 0.00 H ATOM 446 HG12 VAL A 105 7.670 3.325 9.392 1.00 0.00 H ATOM 447 HG13 VAL A 105 8.894 2.062 9.532 1.00 0.00 H ATOM 448 HG21 VAL A 105 5.084 1.601 7.913 1.00 0.00 H ATOM 449 HG22 VAL A 105 5.042 1.807 9.664 1.00 0.00 H ATOM 450 HG23 VAL A 105 5.716 3.077 8.643 1.00 0.00 H ATOM 451 N GLY A 106 9.651 0.400 7.591 1.00 0.00 N ATOM 452 CA GLY A 106 10.971 -0.182 7.748 1.00 0.00 C ATOM 453 C GLY A 106 11.124 -1.483 6.987 1.00 0.00 C ATOM 454 O GLY A 106 12.044 -2.259 7.247 1.00 0.00 O ATOM 455 H GLY A 106 9.558 1.316 7.256 1.00 0.00 H ATOM 456 HA2 GLY A 106 11.708 0.521 7.388 1.00 0.00 H ATOM 457 HA3 GLY A 106 11.147 -0.368 8.797 1.00 0.00 H ATOM 458 N GLN A 107 10.219 -1.724 6.043 1.00 0.00 N ATOM 459 CA GLN A 107 10.256 -2.941 5.241 1.00 0.00 C ATOM 460 C GLN A 107 11.036 -2.711 3.949 1.00 0.00 C ATOM 461 O GLN A 107 11.254 -1.570 3.540 1.00 0.00 O ATOM 462 CB GLN A 107 8.835 -3.406 4.919 1.00 0.00 C ATOM 463 CG GLN A 107 8.779 -4.725 4.166 1.00 0.00 C ATOM 464 CD GLN A 107 9.222 -5.900 5.016 1.00 0.00 C ATOM 465 OE1 GLN A 107 9.424 -5.767 6.223 1.00 0.00 O ATOM 466 NE2 GLN A 107 9.375 -7.059 4.388 1.00 0.00 N ATOM 467 H GLN A 107 9.509 -1.068 5.883 1.00 0.00 H ATOM 468 HA GLN A 107 10.754 -3.703 5.822 1.00 0.00 H ATOM 469 HB2 GLN A 107 8.288 -3.521 5.844 1.00 0.00 H ATOM 470 HB3 GLN A 107 8.349 -2.652 4.317 1.00 0.00 H ATOM 471 HG2 GLN A 107 7.764 -4.897 3.843 1.00 0.00 H ATOM 472 HG3 GLN A 107 9.425 -4.658 3.303 1.00 0.00 H ATOM 473 HE21 GLN A 107 9.196 -7.091 3.424 1.00 0.00 H ATOM 474 HE22 GLN A 107 9.660 -7.836 4.912 1.00 0.00 H ATOM 475 N LYS A 108 11.457 -3.800 3.307 1.00 0.00 N ATOM 476 CA LYS A 108 12.212 -3.706 2.062 1.00 0.00 C ATOM 477 C LYS A 108 11.433 -4.323 0.905 1.00 0.00 C ATOM 478 O LYS A 108 11.017 -5.480 0.971 1.00 0.00 O ATOM 479 CB LYS A 108 13.567 -4.400 2.209 1.00 0.00 C ATOM 480 CG LYS A 108 13.495 -5.725 2.949 1.00 0.00 C ATOM 481 CD LYS A 108 13.455 -5.519 4.455 1.00 0.00 C ATOM 482 CE LYS A 108 14.839 -5.641 5.070 1.00 0.00 C ATOM 483 NZ LYS A 108 15.179 -7.054 5.397 1.00 0.00 N ATOM 484 H LYS A 108 11.255 -4.684 3.677 1.00 0.00 H ATOM 485 HA LYS A 108 12.374 -2.659 1.852 1.00 0.00 H ATOM 486 HB2 LYS A 108 13.972 -4.583 1.225 1.00 0.00 H ATOM 487 HB3 LYS A 108 14.236 -3.746 2.749 1.00 0.00 H ATOM 488 HG2 LYS A 108 12.602 -6.249 2.644 1.00 0.00 H ATOM 489 HG3 LYS A 108 14.365 -6.314 2.698 1.00 0.00 H ATOM 490 HD2 LYS A 108 13.064 -4.534 4.664 1.00 0.00 H ATOM 491 HD3 LYS A 108 12.808 -6.265 4.893 1.00 0.00 H ATOM 492 HE2 LYS A 108 15.566 -5.259 4.371 1.00 0.00 H ATOM 493 HE3 LYS A 108 14.868 -5.054 5.977 1.00 0.00 H ATOM 494 HZ1 LYS A 108 14.592 -7.703 4.834 1.00 0.00 H ATOM 495 HZ2 LYS A 108 16.181 -7.239 5.183 1.00 0.00 H ATOM 496 HZ3 LYS A 108 15.012 -7.238 6.406 1.00 0.00 H ATOM 497 N VAL A 109 11.241 -3.543 -0.154 1.00 0.00 N ATOM 498 CA VAL A 109 10.513 -4.013 -1.325 1.00 0.00 C ATOM 499 C VAL A 109 11.290 -3.726 -2.604 1.00 0.00 C ATOM 500 O VAL A 109 11.917 -2.675 -2.740 1.00 0.00 O ATOM 501 CB VAL A 109 9.125 -3.356 -1.424 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.071 -4.229 -0.762 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.146 -1.968 -0.802 1.00 0.00 C ATOM 504 H VAL A 109 11.597 -2.631 -0.145 1.00 0.00 H ATOM 505 HA VAL A 109 10.378 -5.081 -1.229 1.00 0.00 H ATOM 506 HB VAL A 109 8.869 -3.255 -2.470 1.00 0.00 H ATOM 507 HG11 VAL A 109 8.507 -4.740 0.084 1.00 0.00 H ATOM 508 HG12 VAL A 109 7.251 -3.613 -0.425 1.00 0.00 H ATOM 509 HG13 VAL A 109 7.707 -4.957 -1.472 1.00 0.00 H ATOM 510 HG21 VAL A 109 10.081 -1.482 -1.039 1.00 0.00 H ATOM 511 HG22 VAL A 109 8.326 -1.384 -1.196 1.00 0.00 H ATOM 512 HG23 VAL A 109 9.045 -2.052 0.270 1.00 0.00 H ATOM 513 N ASN A 110 11.247 -4.668 -3.542 1.00 0.00 N ATOM 514 CA ASN A 110 11.948 -4.515 -4.811 1.00 0.00 C ATOM 515 C ASN A 110 10.982 -4.643 -5.985 1.00 0.00 C ATOM 516 O ASN A 110 10.056 -5.453 -5.954 1.00 0.00 O ATOM 517 CB ASN A 110 13.059 -5.560 -4.932 1.00 0.00 C ATOM 518 CG ASN A 110 12.617 -6.931 -4.461 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.110 -7.085 -3.349 1.00 0.00 O ATOM 520 ND2 ASN A 110 12.808 -7.938 -5.306 1.00 0.00 N ATOM 521 H ASN A 110 10.730 -5.484 -3.376 1.00 0.00 H ATOM 522 HA ASN A 110 12.389 -3.530 -4.829 1.00 0.00 H ATOM 523 HB2 ASN A 110 13.363 -5.636 -5.966 1.00 0.00 H ATOM 524 HB3 ASN A 110 13.904 -5.249 -4.336 1.00 0.00 H ATOM 525 HD21 ASN A 110 13.217 -7.742 -6.175 1.00 0.00 H ATOM 526 HD22 ASN A 110 12.530 -8.835 -5.027 1.00 0.00 H ATOM 527 N VAL A 111 11.205 -3.838 -7.019 1.00 0.00 N ATOM 528 CA VAL A 111 10.354 -3.861 -8.202 1.00 0.00 C ATOM 529 C VAL A 111 9.914 -5.282 -8.535 1.00 0.00 C ATOM 530 O VAL A 111 10.697 -6.081 -9.050 1.00 0.00 O ATOM 531 CB VAL A 111 11.073 -3.260 -9.424 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.244 -3.456 -10.683 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.368 -1.785 -9.196 1.00 0.00 C ATOM 534 H VAL A 111 11.959 -3.213 -6.985 1.00 0.00 H ATOM 535 HA VAL A 111 9.478 -3.262 -7.995 1.00 0.00 H ATOM 536 HB VAL A 111 12.013 -3.776 -9.554 1.00 0.00 H ATOM 537 HG11 VAL A 111 9.220 -3.666 -10.410 1.00 0.00 H ATOM 538 HG12 VAL A 111 10.281 -2.560 -11.283 1.00 0.00 H ATOM 539 HG13 VAL A 111 10.641 -4.285 -11.249 1.00 0.00 H ATOM 540 HG21 VAL A 111 11.746 -1.643 -8.194 1.00 0.00 H ATOM 541 HG22 VAL A 111 12.107 -1.451 -9.910 1.00 0.00 H ATOM 542 HG23 VAL A 111 10.462 -1.212 -9.323 1.00 0.00 H ATOM 543 N GLY A 112 8.657 -5.591 -8.237 1.00 0.00 N ATOM 544 CA GLY A 112 8.134 -6.916 -8.511 1.00 0.00 C ATOM 545 C GLY A 112 7.595 -7.595 -7.267 1.00 0.00 C ATOM 546 O GLY A 112 7.032 -8.687 -7.342 1.00 0.00 O ATOM 547 H GLY A 112 8.079 -4.914 -7.827 1.00 0.00 H ATOM 548 HA2 GLY A 112 7.338 -6.834 -9.237 1.00 0.00 H ATOM 549 HA3 GLY A 112 8.924 -7.524 -8.926 1.00 0.00 H ATOM 550 N ASP A 113 7.768 -6.946 -6.120 1.00 0.00 N ATOM 551 CA ASP A 113 7.295 -7.492 -4.854 1.00 0.00 C ATOM 552 C ASP A 113 5.894 -6.986 -4.531 1.00 0.00 C ATOM 553 O ASP A 113 5.467 -5.946 -5.033 1.00 0.00 O ATOM 554 CB ASP A 113 8.257 -7.120 -3.726 1.00 0.00 C ATOM 555 CG ASP A 113 8.988 -8.325 -3.168 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.728 -8.978 -3.935 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.823 -8.615 -1.964 1.00 0.00 O ATOM 558 H ASP A 113 8.225 -6.079 -6.126 1.00 0.00 H ATOM 559 HA ASP A 113 7.266 -8.566 -4.947 1.00 0.00 H ATOM 560 HB2 ASP A 113 8.988 -6.422 -4.103 1.00 0.00 H ATOM 561 HB3 ASP A 113 7.700 -6.656 -2.925 1.00 0.00 H ATOM 562 N THR A 114 5.181 -7.729 -3.690 1.00 0.00 N ATOM 563 CA THR A 114 3.827 -7.356 -3.300 1.00 0.00 C ATOM 564 C THR A 114 3.834 -6.076 -2.469 1.00 0.00 C ATOM 565 O THR A 114 4.889 -5.605 -2.046 1.00 0.00 O ATOM 566 CB THR A 114 3.171 -8.488 -2.508 1.00 0.00 C ATOM 567 OG1 THR A 114 3.911 -9.688 -2.643 1.00 0.00 O ATOM 568 CG2 THR A 114 1.748 -8.775 -2.938 1.00 0.00 C ATOM 569 H THR A 114 5.576 -8.548 -3.323 1.00 0.00 H ATOM 570 HA THR A 114 3.259 -7.183 -4.201 1.00 0.00 H ATOM 571 HB THR A 114 3.152 -8.217 -1.462 1.00 0.00 H ATOM 572 HG1 THR A 114 3.714 -10.092 -3.491 1.00 0.00 H ATOM 573 HG21 THR A 114 1.146 -7.887 -2.808 1.00 0.00 H ATOM 574 HG22 THR A 114 1.738 -9.066 -3.978 1.00 0.00 H ATOM 575 HG23 THR A 114 1.344 -9.575 -2.337 1.00 0.00 H ATOM 576 N LEU A 115 2.649 -5.519 -2.240 1.00 0.00 N ATOM 577 CA LEU A 115 2.518 -4.293 -1.461 1.00 0.00 C ATOM 578 C LEU A 115 1.368 -4.403 -0.465 1.00 0.00 C ATOM 579 O LEU A 115 1.586 -4.531 0.740 1.00 0.00 O ATOM 580 CB LEU A 115 2.295 -3.097 -2.388 1.00 0.00 C ATOM 581 CG LEU A 115 2.447 -1.726 -1.726 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.790 -1.109 -2.084 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.308 -0.807 -2.140 1.00 0.00 C ATOM 584 H LEU A 115 1.843 -5.942 -2.604 1.00 0.00 H ATOM 585 HA LEU A 115 3.438 -4.148 -0.915 1.00 0.00 H ATOM 586 HB2 LEU A 115 3.003 -3.163 -3.202 1.00 0.00 H ATOM 587 HB3 LEU A 115 1.297 -3.165 -2.795 1.00 0.00 H ATOM 588 HG LEU A 115 2.410 -1.846 -0.653 1.00 0.00 H ATOM 589 HD11 LEU A 115 4.480 -1.888 -2.371 1.00 0.00 H ATOM 590 HD12 LEU A 115 3.662 -0.420 -2.905 1.00 0.00 H ATOM 591 HD13 LEU A 115 4.182 -0.579 -1.227 1.00 0.00 H ATOM 592 HD21 LEU A 115 0.364 -1.291 -1.940 1.00 0.00 H ATOM 593 HD22 LEU A 115 1.366 0.113 -1.578 1.00 0.00 H ATOM 594 HD23 LEU A 115 1.386 -0.590 -3.195 1.00 0.00 H ATOM 595 N CYS A 116 0.142 -4.353 -0.976 1.00 0.00 N ATOM 596 CA CYS A 116 -1.043 -4.447 -0.131 1.00 0.00 C ATOM 597 C CYS A 116 -2.314 -4.458 -0.972 1.00 0.00 C ATOM 598 O CYS A 116 -2.291 -4.122 -2.156 1.00 0.00 O ATOM 599 CB CYS A 116 -1.083 -3.284 0.861 1.00 0.00 C ATOM 600 SG CYS A 116 -0.712 -3.754 2.566 1.00 0.00 S ATOM 601 H CYS A 116 0.031 -4.251 -1.945 1.00 0.00 H ATOM 602 HA CYS A 116 -0.982 -5.374 0.419 1.00 0.00 H ATOM 603 HB2 CYS A 116 -0.360 -2.540 0.561 1.00 0.00 H ATOM 604 HB3 CYS A 116 -2.070 -2.844 0.847 1.00 0.00 H ATOM 605 HG CYS A 116 -1.359 -3.334 3.137 1.00 0.00 H ATOM 606 N ILE A 117 -3.423 -4.847 -0.351 1.00 0.00 N ATOM 607 CA ILE A 117 -4.706 -4.901 -1.041 1.00 0.00 C ATOM 608 C ILE A 117 -5.582 -3.710 -0.669 1.00 0.00 C ATOM 609 O ILE A 117 -5.508 -3.195 0.447 1.00 0.00 O ATOM 610 CB ILE A 117 -5.470 -6.198 -0.709 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.737 -7.413 -1.278 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.887 -6.130 -1.255 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.536 -8.524 -0.271 1.00 0.00 C ATOM 614 H ILE A 117 -3.378 -5.102 0.594 1.00 0.00 H ATOM 615 HA ILE A 117 -4.516 -4.881 -2.104 1.00 0.00 H ATOM 616 HB ILE A 117 -5.529 -6.292 0.364 1.00 0.00 H ATOM 617 HG12 ILE A 117 -5.307 -7.814 -2.104 1.00 0.00 H ATOM 618 HG13 ILE A 117 -3.765 -7.105 -1.633 1.00 0.00 H ATOM 619 HG21 ILE A 117 -7.355 -5.213 -0.931 1.00 0.00 H ATOM 620 HG22 ILE A 117 -6.857 -6.158 -2.335 1.00 0.00 H ATOM 621 HG23 ILE A 117 -7.454 -6.974 -0.890 1.00 0.00 H ATOM 622 HD11 ILE A 117 -4.578 -8.116 0.728 1.00 0.00 H ATOM 623 HD12 ILE A 117 -5.313 -9.264 -0.391 1.00 0.00 H ATOM 624 HD13 ILE A 117 -3.573 -8.986 -0.431 1.00 0.00 H ATOM 625 N VAL A 118 -6.415 -3.278 -1.610 1.00 0.00 N ATOM 626 CA VAL A 118 -7.310 -2.152 -1.379 1.00 0.00 C ATOM 627 C VAL A 118 -8.655 -2.631 -0.842 1.00 0.00 C ATOM 628 O VAL A 118 -9.268 -1.976 -0.001 1.00 0.00 O ATOM 629 CB VAL A 118 -7.546 -1.341 -2.668 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.538 -0.217 -2.419 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.232 -0.793 -3.203 1.00 0.00 C ATOM 632 H VAL A 118 -6.432 -3.732 -2.479 1.00 0.00 H ATOM 633 HA VAL A 118 -6.851 -1.503 -0.647 1.00 0.00 H ATOM 634 HB VAL A 118 -7.964 -2.002 -3.413 1.00 0.00 H ATOM 635 HG11 VAL A 118 -9.123 -0.441 -1.539 1.00 0.00 H ATOM 636 HG12 VAL A 118 -8.003 0.709 -2.269 1.00 0.00 H ATOM 637 HG13 VAL A 118 -9.194 -0.120 -3.272 1.00 0.00 H ATOM 638 HG21 VAL A 118 -5.408 -1.336 -2.765 1.00 0.00 H ATOM 639 HG22 VAL A 118 -6.206 -0.904 -4.278 1.00 0.00 H ATOM 640 HG23 VAL A 118 -6.148 0.254 -2.948 1.00 0.00 H ATOM 641 N GLU A 119 -9.103 -3.781 -1.333 1.00 0.00 N ATOM 642 CA GLU A 119 -10.374 -4.356 -0.904 1.00 0.00 C ATOM 643 C GLU A 119 -11.547 -3.507 -1.386 1.00 0.00 C ATOM 644 O GLU A 119 -12.364 -3.050 -0.588 1.00 0.00 O ATOM 645 CB GLU A 119 -10.412 -4.482 0.621 1.00 0.00 C ATOM 646 CG GLU A 119 -11.576 -5.312 1.139 1.00 0.00 C ATOM 647 CD GLU A 119 -11.806 -5.128 2.625 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.073 -3.984 3.048 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.718 -6.129 3.368 1.00 0.00 O ATOM 650 H GLU A 119 -8.566 -4.257 -2.001 1.00 0.00 H ATOM 651 HA GLU A 119 -10.454 -5.339 -1.341 1.00 0.00 H ATOM 652 HB2 GLU A 119 -9.493 -4.943 0.954 1.00 0.00 H ATOM 653 HB3 GLU A 119 -10.483 -3.494 1.051 1.00 0.00 H ATOM 654 HG2 GLU A 119 -12.473 -5.019 0.613 1.00 0.00 H ATOM 655 HG3 GLU A 119 -11.372 -6.356 0.947 1.00 0.00 H ATOM 656 N ALA A 120 -11.621 -3.303 -2.697 1.00 0.00 N ATOM 657 CA ALA A 120 -12.693 -2.510 -3.286 1.00 0.00 C ATOM 658 C ALA A 120 -13.748 -3.406 -3.928 1.00 0.00 C ATOM 659 O ALA A 120 -13.561 -3.903 -5.039 1.00 0.00 O ATOM 660 CB ALA A 120 -12.128 -1.540 -4.312 1.00 0.00 C ATOM 661 H ALA A 120 -10.939 -3.694 -3.281 1.00 0.00 H ATOM 662 HA ALA A 120 -13.156 -1.935 -2.497 1.00 0.00 H ATOM 663 HB1 ALA A 120 -11.300 -2.003 -4.827 1.00 0.00 H ATOM 664 HB2 ALA A 120 -12.898 -1.281 -5.024 1.00 0.00 H ATOM 665 HB3 ALA A 120 -11.787 -0.646 -3.811 1.00 0.00 H ATOM 666 N MET A 121 -14.854 -3.608 -3.219 1.00 0.00 N ATOM 667 CA MET A 121 -15.942 -4.445 -3.714 1.00 0.00 C ATOM 668 C MET A 121 -15.496 -5.901 -3.837 1.00 0.00 C ATOM 669 O MET A 121 -16.046 -6.665 -4.630 1.00 0.00 O ATOM 670 CB MET A 121 -16.449 -3.917 -5.065 1.00 0.00 C ATOM 671 CG MET A 121 -15.915 -4.670 -6.275 1.00 0.00 C ATOM 672 SD MET A 121 -15.689 -3.605 -7.711 1.00 0.00 S ATOM 673 CE MET A 121 -14.110 -2.851 -7.328 1.00 0.00 C ATOM 674 H MET A 121 -14.940 -3.184 -2.340 1.00 0.00 H ATOM 675 HA MET A 121 -16.746 -4.392 -2.995 1.00 0.00 H ATOM 676 HB2 MET A 121 -17.527 -3.983 -5.077 1.00 0.00 H ATOM 677 HB3 MET A 121 -16.162 -2.880 -5.160 1.00 0.00 H ATOM 678 HG2 MET A 121 -14.964 -5.111 -6.018 1.00 0.00 H ATOM 679 HG3 MET A 121 -16.614 -5.453 -6.531 1.00 0.00 H ATOM 680 HE1 MET A 121 -14.178 -2.338 -6.380 1.00 0.00 H ATOM 681 HE2 MET A 121 -13.351 -3.616 -7.270 1.00 0.00 H ATOM 682 HE3 MET A 121 -13.851 -2.144 -8.103 1.00 0.00 H ATOM 683 N LYS A 122 -14.497 -6.277 -3.044 1.00 0.00 N ATOM 684 CA LYS A 122 -13.979 -7.640 -3.061 1.00 0.00 C ATOM 685 C LYS A 122 -13.219 -7.920 -4.354 1.00 0.00 C ATOM 686 O LYS A 122 -13.543 -8.856 -5.086 1.00 0.00 O ATOM 687 CB LYS A 122 -15.122 -8.643 -2.902 1.00 0.00 C ATOM 688 CG LYS A 122 -14.713 -9.924 -2.192 1.00 0.00 C ATOM 689 CD LYS A 122 -13.913 -9.631 -0.933 1.00 0.00 C ATOM 690 CE LYS A 122 -14.579 -8.560 -0.086 1.00 0.00 C ATOM 691 NZ LYS A 122 -14.271 -8.714 1.333 1.00 0.00 N ATOM 692 H LYS A 122 -14.100 -5.623 -2.433 1.00 0.00 H ATOM 693 HA LYS A 122 -13.300 -7.746 -2.228 1.00 0.00 H ATOM 694 HB2 LYS A 122 -15.915 -8.180 -2.335 1.00 0.00 H ATOM 695 HB3 LYS A 122 -15.494 -8.904 -3.881 1.00 0.00 H ATOM 696 HG2 LYS A 122 -15.602 -10.472 -1.920 1.00 0.00 H ATOM 697 HG3 LYS A 122 -14.110 -10.519 -2.861 1.00 0.00 H ATOM 698 HD2 LYS A 122 -13.832 -10.537 -0.352 1.00 0.00 H ATOM 699 HD3 LYS A 122 -12.926 -9.293 -1.216 1.00 0.00 H ATOM 700 HE2 LYS A 122 -14.233 -7.591 -0.415 1.00 0.00 H ATOM 701 HE3 LYS A 122 -15.648 -8.625 -0.222 1.00 0.00 H ATOM 702 N MET A 123 -12.206 -7.106 -4.627 1.00 0.00 N ATOM 703 CA MET A 123 -11.399 -7.268 -5.831 1.00 0.00 C ATOM 704 C MET A 123 -9.957 -7.619 -5.477 1.00 0.00 C ATOM 705 O MET A 123 -9.165 -7.985 -6.345 1.00 0.00 O ATOM 706 CB MET A 123 -11.438 -5.989 -6.672 1.00 0.00 C ATOM 707 CG MET A 123 -10.291 -5.873 -7.663 1.00 0.00 C ATOM 708 SD MET A 123 -8.886 -4.959 -6.997 1.00 0.00 S ATOM 709 CE MET A 123 -9.624 -3.351 -6.723 1.00 0.00 C ATOM 710 H MET A 123 -11.995 -6.379 -4.005 1.00 0.00 H ATOM 711 HA MET A 123 -11.823 -8.079 -6.406 1.00 0.00 H ATOM 712 HB2 MET A 123 -12.365 -5.965 -7.225 1.00 0.00 H ATOM 713 HB3 MET A 123 -11.401 -5.136 -6.011 1.00 0.00 H ATOM 714 HG2 MET A 123 -9.961 -6.867 -7.930 1.00 0.00 H ATOM 715 HG3 MET A 123 -10.647 -5.365 -8.547 1.00 0.00 H ATOM 716 HE1 MET A 123 -10.216 -3.075 -7.584 1.00 0.00 H ATOM 717 HE2 MET A 123 -10.257 -3.389 -5.849 1.00 0.00 H ATOM 718 HE3 MET A 123 -8.846 -2.617 -6.572 1.00 0.00 H ATOM 719 N MET A 124 -9.623 -7.511 -4.194 1.00 0.00 N ATOM 720 CA MET A 124 -8.278 -7.820 -3.726 1.00 0.00 C ATOM 721 C MET A 124 -7.235 -7.013 -4.493 1.00 0.00 C ATOM 722 O MET A 124 -6.331 -7.576 -5.110 1.00 0.00 O ATOM 723 CB MET A 124 -7.994 -9.315 -3.877 1.00 0.00 C ATOM 724 CG MET A 124 -8.645 -10.169 -2.800 1.00 0.00 C ATOM 725 SD MET A 124 -10.299 -9.597 -2.365 1.00 0.00 S ATOM 726 CE MET A 124 -10.244 -9.726 -0.579 1.00 0.00 C ATOM 727 H MET A 124 -10.297 -7.217 -3.547 1.00 0.00 H ATOM 728 HA MET A 124 -8.223 -7.556 -2.681 1.00 0.00 H ATOM 729 HB2 MET A 124 -8.362 -9.645 -4.837 1.00 0.00 H ATOM 730 HB3 MET A 124 -6.927 -9.474 -3.836 1.00 0.00 H ATOM 731 HG2 MET A 124 -8.714 -11.185 -3.158 1.00 0.00 H ATOM 732 HG3 MET A 124 -8.025 -10.142 -1.916 1.00 0.00 H ATOM 733 HE1 MET A 124 -9.460 -10.411 -0.292 1.00 0.00 H ATOM 734 HE2 MET A 124 -10.047 -8.754 -0.154 1.00 0.00 H ATOM 735 HE3 MET A 124 -11.193 -10.093 -0.216 1.00 0.00 H ATOM 736 N ASN A 125 -7.367 -5.691 -4.450 1.00 0.00 N ATOM 737 CA ASN A 125 -6.433 -4.808 -5.140 1.00 0.00 C ATOM 738 C ASN A 125 -5.041 -4.909 -4.526 1.00 0.00 C ATOM 739 O ASN A 125 -4.499 -3.923 -4.027 1.00 0.00 O ATOM 740 CB ASN A 125 -6.925 -3.361 -5.081 1.00 0.00 C ATOM 741 CG ASN A 125 -6.516 -2.562 -6.303 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.763 -3.043 -7.150 1.00 0.00 O ATOM 743 ND2 ASN A 125 -7.010 -1.333 -6.399 1.00 0.00 N ATOM 744 H ASN A 125 -8.108 -5.300 -3.941 1.00 0.00 H ATOM 745 HA ASN A 125 -6.383 -5.121 -6.172 1.00 0.00 H ATOM 746 HB2 ASN A 125 -8.004 -3.356 -5.015 1.00 0.00 H ATOM 747 HB3 ASN A 125 -6.511 -2.884 -4.204 1.00 0.00 H ATOM 748 HD21 ASN A 125 -7.603 -1.016 -5.686 1.00 0.00 H ATOM 749 HD22 ASN A 125 -6.762 -0.794 -7.179 1.00 0.00 H ATOM 750 N GLN A 126 -4.469 -6.107 -4.566 1.00 0.00 N ATOM 751 CA GLN A 126 -3.141 -6.340 -4.013 1.00 0.00 C ATOM 752 C GLN A 126 -2.066 -5.705 -4.889 1.00 0.00 C ATOM 753 O GLN A 126 -1.656 -6.276 -5.900 1.00 0.00 O ATOM 754 CB GLN A 126 -2.885 -7.842 -3.874 1.00 0.00 C ATOM 755 CG GLN A 126 -1.449 -8.186 -3.516 1.00 0.00 C ATOM 756 CD GLN A 126 -0.783 -9.065 -4.556 1.00 0.00 C ATOM 757 OE1 GLN A 126 -1.070 -10.259 -4.652 1.00 0.00 O ATOM 758 NE2 GLN A 126 0.112 -8.479 -5.343 1.00 0.00 N ATOM 759 H GLN A 126 -4.953 -6.854 -4.977 1.00 0.00 H ATOM 760 HA GLN A 126 -3.104 -5.887 -3.034 1.00 0.00 H ATOM 761 HB2 GLN A 126 -3.530 -8.236 -3.104 1.00 0.00 H ATOM 762 HB3 GLN A 126 -3.123 -8.324 -4.812 1.00 0.00 H ATOM 763 HG2 GLN A 126 -0.884 -7.270 -3.425 1.00 0.00 H ATOM 764 HG3 GLN A 126 -1.442 -8.707 -2.568 1.00 0.00 H ATOM 765 HE21 GLN A 126 0.290 -7.524 -5.208 1.00 0.00 H ATOM 766 HE22 GLN A 126 0.557 -9.023 -6.024 1.00 0.00 H ATOM 767 N ILE A 127 -1.615 -4.518 -4.495 1.00 0.00 N ATOM 768 CA ILE A 127 -0.588 -3.803 -5.243 1.00 0.00 C ATOM 769 C ILE A 127 0.782 -4.441 -5.044 1.00 0.00 C ATOM 770 O ILE A 127 1.011 -5.150 -4.064 1.00 0.00 O ATOM 771 CB ILE A 127 -0.515 -2.321 -4.825 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.920 -1.722 -4.738 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.341 -1.535 -5.808 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.691 -1.797 -6.037 1.00 0.00 C ATOM 775 H ILE A 127 -1.981 -4.114 -3.681 1.00 0.00 H ATOM 776 HA ILE A 127 -0.846 -3.848 -6.291 1.00 0.00 H ATOM 777 HB ILE A 127 -0.047 -2.267 -3.855 1.00 0.00 H ATOM 778 HG12 ILE A 127 -2.485 -2.254 -3.986 1.00 0.00 H ATOM 779 HG13 ILE A 127 -1.843 -0.683 -4.455 1.00 0.00 H ATOM 780 HG21 ILE A 127 0.324 -2.023 -6.771 1.00 0.00 H ATOM 781 HG22 ILE A 127 -0.049 -0.533 -5.904 1.00 0.00 H ATOM 782 HG23 ILE A 127 1.357 -1.493 -5.444 1.00 0.00 H ATOM 783 HD11 ILE A 127 -2.234 -2.529 -6.686 1.00 0.00 H ATOM 784 HD12 ILE A 127 -3.713 -2.085 -5.833 1.00 0.00 H ATOM 785 HD13 ILE A 127 -2.678 -0.831 -6.520 1.00 0.00 H ATOM 786 N GLU A 128 1.690 -4.183 -5.978 1.00 0.00 N ATOM 787 CA GLU A 128 3.039 -4.732 -5.904 1.00 0.00 C ATOM 788 C GLU A 128 4.083 -3.643 -6.132 1.00 0.00 C ATOM 789 O GLU A 128 4.132 -3.031 -7.199 1.00 0.00 O ATOM 790 CB GLU A 128 3.216 -5.846 -6.936 1.00 0.00 C ATOM 791 CG GLU A 128 2.159 -6.935 -6.842 1.00 0.00 C ATOM 792 CD GLU A 128 1.984 -7.691 -8.144 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.766 -8.634 -8.393 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.066 -7.342 -8.915 1.00 0.00 O ATOM 795 H GLU A 128 1.449 -3.609 -6.735 1.00 0.00 H ATOM 796 HA GLU A 128 3.176 -5.143 -4.916 1.00 0.00 H ATOM 797 HB2 GLU A 128 3.171 -5.416 -7.926 1.00 0.00 H ATOM 798 HB3 GLU A 128 4.184 -6.302 -6.795 1.00 0.00 H ATOM 799 HG2 GLU A 128 2.450 -7.636 -6.074 1.00 0.00 H ATOM 800 HG3 GLU A 128 1.215 -6.481 -6.576 1.00 0.00 H ATOM 801 N ALA A 129 4.915 -3.407 -5.123 1.00 0.00 N ATOM 802 CA ALA A 129 5.956 -2.393 -5.215 1.00 0.00 C ATOM 803 C ALA A 129 6.724 -2.513 -6.527 1.00 0.00 C ATOM 804 O ALA A 129 7.286 -3.564 -6.834 1.00 0.00 O ATOM 805 CB ALA A 129 6.908 -2.505 -4.033 1.00 0.00 C ATOM 806 H ALA A 129 4.826 -3.928 -4.298 1.00 0.00 H ATOM 807 HA ALA A 129 5.483 -1.422 -5.174 1.00 0.00 H ATOM 808 HB1 ALA A 129 7.070 -3.547 -3.799 1.00 0.00 H ATOM 809 HB2 ALA A 129 7.850 -2.042 -4.284 1.00 0.00 H ATOM 810 HB3 ALA A 129 6.478 -2.007 -3.177 1.00 0.00 H ATOM 811 N ASP A 130 6.742 -1.431 -7.298 1.00 0.00 N ATOM 812 CA ASP A 130 7.440 -1.417 -8.579 1.00 0.00 C ATOM 813 C ASP A 130 8.426 -0.255 -8.649 1.00 0.00 C ATOM 814 O ASP A 130 8.837 0.158 -9.732 1.00 0.00 O ATOM 815 CB ASP A 130 6.438 -1.321 -9.730 1.00 0.00 C ATOM 816 CG ASP A 130 5.523 -0.117 -9.600 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.006 0.118 -8.488 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.325 0.589 -10.611 1.00 0.00 O ATOM 819 H ASP A 130 6.275 -0.623 -7.000 1.00 0.00 H ATOM 820 HA ASP A 130 7.987 -2.343 -8.668 1.00 0.00 H ATOM 821 HB2 ASP A 130 6.976 -1.240 -10.663 1.00 0.00 H ATOM 822 HB3 ASP A 130 5.829 -2.213 -9.745 1.00 0.00 H ATOM 823 N LYS A 131 8.800 0.268 -7.485 1.00 0.00 N ATOM 824 CA LYS A 131 9.737 1.382 -7.415 1.00 0.00 C ATOM 825 C LYS A 131 10.900 1.064 -6.479 1.00 0.00 C ATOM 826 O LYS A 131 11.797 1.885 -6.288 1.00 0.00 O ATOM 827 CB LYS A 131 9.021 2.650 -6.946 1.00 0.00 C ATOM 828 CG LYS A 131 8.378 3.440 -8.075 1.00 0.00 C ATOM 829 CD LYS A 131 9.425 4.134 -8.933 1.00 0.00 C ATOM 830 CE LYS A 131 8.894 4.435 -10.325 1.00 0.00 C ATOM 831 NZ LYS A 131 8.876 5.895 -10.610 1.00 0.00 N ATOM 832 H LYS A 131 8.437 -0.106 -6.655 1.00 0.00 H ATOM 833 HA LYS A 131 10.127 1.548 -8.408 1.00 0.00 H ATOM 834 HB2 LYS A 131 8.248 2.373 -6.244 1.00 0.00 H ATOM 835 HB3 LYS A 131 9.734 3.290 -6.448 1.00 0.00 H ATOM 836 HG2 LYS A 131 7.810 2.764 -8.696 1.00 0.00 H ATOM 837 HG3 LYS A 131 7.720 4.184 -7.652 1.00 0.00 H ATOM 838 HD2 LYS A 131 9.706 5.063 -8.459 1.00 0.00 H ATOM 839 HD3 LYS A 131 10.291 3.494 -9.016 1.00 0.00 H ATOM 840 HE2 LYS A 131 9.527 3.944 -11.051 1.00 0.00 H ATOM 841 HE3 LYS A 131 7.889 4.048 -10.404 1.00 0.00 H ATOM 842 HZ1 LYS A 131 8.934 6.434 -9.722 1.00 0.00 H ATOM 843 HZ2 LYS A 131 9.685 6.153 -11.212 1.00 0.00 H ATOM 844 HZ3 LYS A 131 7.997 6.154 -11.102 1.00 0.00 H ATOM 845 N SER A 132 10.879 -0.132 -5.896 1.00 0.00 N ATOM 846 CA SER A 132 11.934 -0.553 -4.981 1.00 0.00 C ATOM 847 C SER A 132 12.133 0.473 -3.871 1.00 0.00 C ATOM 848 O SER A 132 11.669 1.609 -3.971 1.00 0.00 O ATOM 849 CB SER A 132 13.246 -0.759 -5.744 1.00 0.00 C ATOM 850 OG SER A 132 14.266 0.088 -5.248 1.00 0.00 O ATOM 851 H SER A 132 10.139 -0.745 -6.085 1.00 0.00 H ATOM 852 HA SER A 132 11.634 -1.491 -4.539 1.00 0.00 H ATOM 853 HB2 SER A 132 13.564 -1.786 -5.638 1.00 0.00 H ATOM 854 HB3 SER A 132 13.088 -0.539 -6.790 1.00 0.00 H ATOM 855 HG SER A 132 14.373 0.840 -5.836 1.00 0.00 H ATOM 856 N GLY A 133 12.827 0.067 -2.812 1.00 0.00 N ATOM 857 CA GLY A 133 13.075 0.964 -1.699 1.00 0.00 C ATOM 858 C GLY A 133 12.595 0.399 -0.376 1.00 0.00 C ATOM 859 O GLY A 133 12.223 -0.771 -0.292 1.00 0.00 O ATOM 860 H GLY A 133 13.174 -0.850 -2.787 1.00 0.00 H ATOM 861 HA2 GLY A 133 14.137 1.152 -1.633 1.00 0.00 H ATOM 862 HA3 GLY A 133 12.567 1.898 -1.885 1.00 0.00 H ATOM 863 N THR A 134 12.606 1.234 0.658 1.00 0.00 N ATOM 864 CA THR A 134 12.169 0.814 1.985 1.00 0.00 C ATOM 865 C THR A 134 11.017 1.684 2.479 1.00 0.00 C ATOM 866 O THR A 134 11.187 2.881 2.715 1.00 0.00 O ATOM 867 CB THR A 134 13.334 0.881 2.974 1.00 0.00 C ATOM 868 OG1 THR A 134 14.227 -0.199 2.769 1.00 0.00 O ATOM 869 CG2 THR A 134 12.894 0.845 4.421 1.00 0.00 C ATOM 870 H THR A 134 12.914 2.155 0.526 1.00 0.00 H ATOM 871 HA THR A 134 11.827 -0.208 1.914 1.00 0.00 H ATOM 872 HB THR A 134 13.874 1.803 2.814 1.00 0.00 H ATOM 873 HG1 THR A 134 13.852 -0.809 2.130 1.00 0.00 H ATOM 874 HG21 THR A 134 12.179 0.048 4.561 1.00 0.00 H ATOM 875 HG22 THR A 134 13.752 0.675 5.054 1.00 0.00 H ATOM 876 HG23 THR A 134 12.437 1.789 4.681 1.00 0.00 H ATOM 877 N VAL A 135 9.846 1.076 2.634 1.00 0.00 N ATOM 878 CA VAL A 135 8.667 1.794 3.101 1.00 0.00 C ATOM 879 C VAL A 135 9.020 2.757 4.229 1.00 0.00 C ATOM 880 O VAL A 135 9.761 2.407 5.148 1.00 0.00 O ATOM 881 CB VAL A 135 7.577 0.824 3.592 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.276 1.570 3.854 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.364 -0.297 2.586 1.00 0.00 C ATOM 884 H VAL A 135 9.774 0.120 2.430 1.00 0.00 H ATOM 885 HA VAL A 135 8.270 2.359 2.269 1.00 0.00 H ATOM 886 HB VAL A 135 7.906 0.386 4.524 1.00 0.00 H ATOM 887 HG11 VAL A 135 6.274 2.495 3.298 1.00 0.00 H ATOM 888 HG12 VAL A 135 5.443 0.959 3.540 1.00 0.00 H ATOM 889 HG13 VAL A 135 6.189 1.783 4.909 1.00 0.00 H ATOM 890 HG21 VAL A 135 7.627 0.052 1.598 1.00 0.00 H ATOM 891 HG22 VAL A 135 7.988 -1.138 2.848 1.00 0.00 H ATOM 892 HG23 VAL A 135 6.328 -0.599 2.597 1.00 0.00 H ATOM 893 N LYS A 136 8.487 3.972 4.153 1.00 0.00 N ATOM 894 CA LYS A 136 8.747 4.984 5.169 1.00 0.00 C ATOM 895 C LYS A 136 7.607 5.046 6.180 1.00 0.00 C ATOM 896 O LYS A 136 7.838 5.094 7.388 1.00 0.00 O ATOM 897 CB LYS A 136 8.941 6.355 4.517 1.00 0.00 C ATOM 898 CG LYS A 136 10.219 7.056 4.948 1.00 0.00 C ATOM 899 CD LYS A 136 10.362 7.076 6.461 1.00 0.00 C ATOM 900 CE LYS A 136 9.274 7.916 7.111 1.00 0.00 C ATOM 901 NZ LYS A 136 9.731 9.309 7.374 1.00 0.00 N ATOM 902 H LYS A 136 7.904 4.193 3.396 1.00 0.00 H ATOM 903 HA LYS A 136 9.654 4.710 5.685 1.00 0.00 H ATOM 904 HB2 LYS A 136 8.967 6.231 3.445 1.00 0.00 H ATOM 905 HB3 LYS A 136 8.104 6.986 4.779 1.00 0.00 H ATOM 906 HG2 LYS A 136 11.064 6.535 4.524 1.00 0.00 H ATOM 907 HG3 LYS A 136 10.201 8.073 4.583 1.00 0.00 H ATOM 908 HD2 LYS A 136 10.292 6.065 6.833 1.00 0.00 H ATOM 909 HD3 LYS A 136 11.326 7.491 6.717 1.00 0.00 H ATOM 910 HE2 LYS A 136 8.419 7.947 6.453 1.00 0.00 H ATOM 911 HE3 LYS A 136 8.992 7.456 8.047 1.00 0.00 H ATOM 912 HZ1 LYS A 136 10.701 9.440 7.023 1.00 0.00 H ATOM 913 HZ2 LYS A 136 9.105 9.987 6.894 1.00 0.00 H ATOM 914 HZ3 LYS A 136 9.716 9.504 8.395 1.00 0.00 H ATOM 915 N ALA A 137 6.376 5.042 5.679 1.00 0.00 N ATOM 916 CA ALA A 137 5.201 5.096 6.539 1.00 0.00 C ATOM 917 C ALA A 137 3.915 5.026 5.723 1.00 0.00 C ATOM 918 O ALA A 137 3.951 4.863 4.503 1.00 0.00 O ATOM 919 CB ALA A 137 5.223 6.361 7.384 1.00 0.00 C ATOM 920 H ALA A 137 6.255 5.001 4.707 1.00 0.00 H ATOM 921 HA ALA A 137 5.238 4.247 7.207 1.00 0.00 H ATOM 922 HB1 ALA A 137 6.228 6.538 7.741 1.00 0.00 H ATOM 923 HB2 ALA A 137 4.903 7.201 6.784 1.00 0.00 H ATOM 924 HB3 ALA A 137 4.557 6.246 8.225 1.00 0.00 H ATOM 925 N ILE A 138 2.781 5.150 6.405 1.00 0.00 N ATOM 926 CA ILE A 138 1.482 5.100 5.744 1.00 0.00 C ATOM 927 C ILE A 138 0.601 6.268 6.179 1.00 0.00 C ATOM 928 O ILE A 138 0.580 6.637 7.353 1.00 0.00 O ATOM 929 CB ILE A 138 0.754 3.777 6.044 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.579 2.592 5.541 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.628 3.774 5.407 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.926 1.250 5.788 1.00 0.00 C ATOM 933 H ILE A 138 2.819 5.276 7.376 1.00 0.00 H ATOM 934 HA ILE A 138 1.648 5.164 4.679 1.00 0.00 H ATOM 935 HB ILE A 138 0.631 3.692 7.113 1.00 0.00 H ATOM 936 HG12 ILE A 138 1.733 2.694 4.478 1.00 0.00 H ATOM 937 HG13 ILE A 138 2.538 2.591 6.040 1.00 0.00 H ATOM 938 HG21 ILE A 138 -0.888 4.779 5.108 1.00 0.00 H ATOM 939 HG22 ILE A 138 -0.624 3.130 4.541 1.00 0.00 H ATOM 940 HG23 ILE A 138 -1.353 3.412 6.121 1.00 0.00 H ATOM 941 HD11 ILE A 138 0.137 1.363 6.517 1.00 0.00 H ATOM 942 HD12 ILE A 138 0.511 0.878 4.863 1.00 0.00 H ATOM 943 HD13 ILE A 138 1.662 0.554 6.158 1.00 0.00 H ATOM 944 N LEU A 139 -0.121 6.846 5.225 1.00 0.00 N ATOM 945 CA LEU A 139 -0.999 7.976 5.511 1.00 0.00 C ATOM 946 C LEU A 139 -2.467 7.569 5.421 1.00 0.00 C ATOM 947 O LEU A 139 -3.327 8.170 6.065 1.00 0.00 O ATOM 948 CB LEU A 139 -0.718 9.124 4.540 1.00 0.00 C ATOM 949 CG LEU A 139 0.498 9.982 4.888 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.773 9.156 4.814 1.00 0.00 C ATOM 951 CD2 LEU A 139 0.585 11.184 3.959 1.00 0.00 C ATOM 952 H LEU A 139 -0.060 6.508 4.307 1.00 0.00 H ATOM 953 HA LEU A 139 -0.793 8.309 6.516 1.00 0.00 H ATOM 954 HB2 LEU A 139 -0.569 8.705 3.555 1.00 0.00 H ATOM 955 HB3 LEU A 139 -1.586 9.764 4.512 1.00 0.00 H ATOM 956 HG LEU A 139 0.396 10.347 5.900 1.00 0.00 H ATOM 957 HD11 LEU A 139 1.603 8.288 4.193 1.00 0.00 H ATOM 958 HD12 LEU A 139 2.565 9.754 4.388 1.00 0.00 H ATOM 959 HD13 LEU A 139 2.055 8.839 5.807 1.00 0.00 H ATOM 960 HD21 LEU A 139 -0.403 11.432 3.599 1.00 0.00 H ATOM 961 HD22 LEU A 139 0.995 12.025 4.496 1.00 0.00 H ATOM 962 HD23 LEU A 139 1.224 10.946 3.121 1.00 0.00 H ATOM 963 N VAL A 140 -2.749 6.549 4.617 1.00 0.00 N ATOM 964 CA VAL A 140 -4.115 6.069 4.446 1.00 0.00 C ATOM 965 C VAL A 140 -4.654 5.473 5.743 1.00 0.00 C ATOM 966 O VAL A 140 -5.858 5.512 6.001 1.00 0.00 O ATOM 967 CB VAL A 140 -4.205 5.015 3.326 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.549 4.302 3.363 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.976 5.661 1.968 1.00 0.00 C ATOM 970 H VAL A 140 -2.022 6.109 4.129 1.00 0.00 H ATOM 971 HA VAL A 140 -4.730 6.913 4.168 1.00 0.00 H ATOM 972 HB VAL A 140 -3.429 4.281 3.486 1.00 0.00 H ATOM 973 HG11 VAL A 140 -6.334 5.023 3.538 1.00 0.00 H ATOM 974 HG12 VAL A 140 -5.719 3.806 2.419 1.00 0.00 H ATOM 975 HG13 VAL A 140 -5.547 3.572 4.158 1.00 0.00 H ATOM 976 HG21 VAL A 140 -3.004 6.133 1.953 1.00 0.00 H ATOM 977 HG22 VAL A 140 -4.023 4.907 1.197 1.00 0.00 H ATOM 978 HG23 VAL A 140 -4.739 6.405 1.790 1.00 0.00 H ATOM 979 N GLU A 141 -3.758 4.923 6.554 1.00 0.00 N ATOM 980 CA GLU A 141 -4.145 4.319 7.824 1.00 0.00 C ATOM 981 C GLU A 141 -5.001 3.078 7.596 1.00 0.00 C ATOM 982 O GLU A 141 -6.227 3.160 7.508 1.00 0.00 O ATOM 983 CB GLU A 141 -4.907 5.329 8.684 1.00 0.00 C ATOM 984 CG GLU A 141 -4.001 6.289 9.438 1.00 0.00 C ATOM 985 CD GLU A 141 -4.737 7.056 10.519 1.00 0.00 C ATOM 986 OE1 GLU A 141 -5.597 7.893 10.172 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.453 6.820 11.712 1.00 0.00 O ATOM 988 H GLU A 141 -2.814 4.922 6.294 1.00 0.00 H ATOM 989 HA GLU A 141 -3.243 4.029 8.340 1.00 0.00 H ATOM 990 HB2 GLU A 141 -5.559 5.908 8.047 1.00 0.00 H ATOM 991 HB3 GLU A 141 -5.506 4.791 9.404 1.00 0.00 H ATOM 992 HG2 GLU A 141 -3.204 5.724 9.898 1.00 0.00 H ATOM 993 HG3 GLU A 141 -3.582 6.996 8.737 1.00 0.00 H ATOM 994 N SER A 142 -4.345 1.928 7.504 1.00 0.00 N ATOM 995 CA SER A 142 -5.043 0.670 7.288 1.00 0.00 C ATOM 996 C SER A 142 -6.323 0.614 8.117 1.00 0.00 C ATOM 997 O SER A 142 -6.508 1.404 9.042 1.00 0.00 O ATOM 998 CB SER A 142 -4.133 -0.504 7.648 1.00 0.00 C ATOM 999 OG SER A 142 -4.731 -1.335 8.627 1.00 0.00 O ATOM 1000 H SER A 142 -3.368 1.926 7.583 1.00 0.00 H ATOM 1001 HA SER A 142 -5.299 0.609 6.241 1.00 0.00 H ATOM 1002 HB2 SER A 142 -3.943 -1.091 6.762 1.00 0.00 H ATOM 1003 HB3 SER A 142 -3.200 -0.123 8.035 1.00 0.00 H ATOM 1004 HG SER A 142 -4.855 -0.836 9.437 1.00 0.00 H ATOM 1005 N GLY A 143 -7.206 -0.321 7.778 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.454 -0.453 8.503 1.00 0.00 C ATOM 1007 C GLY A 143 -9.384 0.724 8.273 1.00 0.00 C ATOM 1008 O GLY A 143 -10.451 0.807 8.881 1.00 0.00 O ATOM 1009 H GLY A 143 -7.009 -0.923 7.031 1.00 0.00 H ATOM 1010 HA2 GLY A 143 -8.950 -1.357 8.181 1.00 0.00 H ATOM 1011 HA3 GLY A 143 -8.241 -0.528 9.558 1.00 0.00 H ATOM 1012 N GLN A 144 -8.978 1.635 7.393 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.784 2.812 7.086 1.00 0.00 C ATOM 1014 C GLN A 144 -10.050 2.915 5.589 1.00 0.00 C ATOM 1015 O GLN A 144 -9.162 2.674 4.771 1.00 0.00 O ATOM 1016 CB GLN A 144 -9.083 4.079 7.580 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.783 5.363 7.169 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.817 6.425 6.685 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.531 7.390 7.392 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.307 6.250 5.471 1.00 0.00 N ATOM 1021 H GLN A 144 -8.116 1.514 6.940 1.00 0.00 H ATOM 1022 HA GLN A 144 -10.728 2.710 7.601 1.00 0.00 H ATOM 1023 HB2 GLN A 144 -9.032 4.051 8.659 1.00 0.00 H ATOM 1024 HB3 GLN A 144 -8.079 4.099 7.183 1.00 0.00 H ATOM 1025 HG2 GLN A 144 -10.477 5.140 6.372 1.00 0.00 H ATOM 1026 HG3 GLN A 144 -10.326 5.751 8.020 1.00 0.00 H ATOM 1027 HE21 GLN A 144 -8.581 5.457 4.964 1.00 0.00 H ATOM 1028 HE22 GLN A 144 -7.678 6.920 5.132 1.00 0.00 H ATOM 1029 N PRO A 145 -11.285 3.279 5.211 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.675 3.418 3.805 1.00 0.00 C ATOM 1031 C PRO A 145 -10.654 4.208 2.994 1.00 0.00 C ATOM 1032 O PRO A 145 -10.052 5.160 3.492 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.998 4.178 3.887 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.570 3.795 5.208 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.397 3.586 6.129 1.00 0.00 C ATOM 1036 HA PRO A 145 -11.836 2.457 3.343 1.00 0.00 H ATOM 1037 HB2 PRO A 145 -12.811 5.241 3.829 1.00 0.00 H ATOM 1038 HB3 PRO A 145 -13.642 3.875 3.076 1.00 0.00 H ATOM 1039 HG2 PRO A 145 -14.199 4.589 5.579 1.00 0.00 H ATOM 1040 HG3 PRO A 145 -14.137 2.881 5.110 1.00 0.00 H ATOM 1041 HD2 PRO A 145 -12.196 4.485 6.692 1.00 0.00 H ATOM 1042 HD3 PRO A 145 -12.584 2.756 6.796 1.00 0.00 H ATOM 1043 N VAL A 146 -10.462 3.805 1.742 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.513 4.474 0.861 1.00 0.00 C ATOM 1045 C VAL A 146 -10.227 5.425 -0.095 1.00 0.00 C ATOM 1046 O VAL A 146 -11.373 5.190 -0.478 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.697 3.457 0.041 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.449 4.110 -0.534 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.330 2.254 0.896 1.00 0.00 C ATOM 1050 H VAL A 146 -10.972 3.039 1.403 1.00 0.00 H ATOM 1051 HA VAL A 146 -8.830 5.042 1.475 1.00 0.00 H ATOM 1052 HB VAL A 146 -9.307 3.114 -0.781 1.00 0.00 H ATOM 1053 HG11 VAL A 146 -7.475 5.171 -0.337 1.00 0.00 H ATOM 1054 HG12 VAL A 146 -6.572 3.679 -0.072 1.00 0.00 H ATOM 1055 HG13 VAL A 146 -7.414 3.942 -1.600 1.00 0.00 H ATOM 1056 HG21 VAL A 146 -8.608 2.443 1.922 1.00 0.00 H ATOM 1057 HG22 VAL A 146 -8.858 1.382 0.536 1.00 0.00 H ATOM 1058 HG23 VAL A 146 -7.266 2.080 0.837 1.00 0.00 H ATOM 1059 N GLU A 147 -9.543 6.499 -0.475 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.114 7.485 -1.385 1.00 0.00 C ATOM 1061 C GLU A 147 -9.202 7.705 -2.588 1.00 0.00 C ATOM 1062 O GLU A 147 -8.003 7.430 -2.529 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.344 8.810 -0.657 1.00 0.00 C ATOM 1064 CG GLU A 147 -9.278 9.128 0.379 1.00 0.00 C ATOM 1065 CD GLU A 147 -9.756 8.891 1.799 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -10.937 9.180 2.084 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -8.948 8.416 2.624 1.00 0.00 O ATOM 1068 H GLU A 147 -8.634 6.632 -0.135 1.00 0.00 H ATOM 1069 HA GLU A 147 -11.063 7.105 -1.733 1.00 0.00 H ATOM 1070 HB2 GLU A 147 -10.359 9.610 -1.384 1.00 0.00 H ATOM 1071 HB3 GLU A 147 -11.301 8.772 -0.156 1.00 0.00 H ATOM 1072 HG2 GLU A 147 -8.418 8.502 0.196 1.00 0.00 H ATOM 1073 HG3 GLU A 147 -8.995 10.166 0.279 1.00 0.00 H ATOM 1074 N PHE A 148 -9.776 8.205 -3.677 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.013 8.463 -4.892 1.00 0.00 C ATOM 1076 C PHE A 148 -7.806 9.347 -4.597 1.00 0.00 C ATOM 1077 O PHE A 148 -7.943 10.436 -4.038 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.899 9.122 -5.945 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.128 9.756 -7.068 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.525 8.968 -8.043 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.003 11.137 -7.149 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.813 9.548 -9.081 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.291 11.724 -8.185 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.696 10.927 -9.151 1.00 0.00 C ATOM 1085 H PHE A 148 -10.736 8.406 -3.663 1.00 0.00 H ATOM 1086 HA PHE A 148 -8.668 7.517 -5.271 1.00 0.00 H ATOM 1087 HB2 PHE A 148 -10.555 8.378 -6.371 1.00 0.00 H ATOM 1088 HB3 PHE A 148 -10.490 9.887 -5.473 1.00 0.00 H ATOM 1089 HD1 PHE A 148 -8.618 7.893 -7.988 1.00 0.00 H ATOM 1090 HD2 PHE A 148 -9.467 11.757 -6.397 1.00 0.00 H ATOM 1091 HE1 PHE A 148 -7.349 8.927 -9.832 1.00 0.00 H ATOM 1092 HE2 PHE A 148 -8.201 12.799 -8.238 1.00 0.00 H ATOM 1093 HZ PHE A 148 -7.141 11.382 -9.960 1.00 0.00 H ATOM 1094 N ASP A 149 -6.624 8.872 -4.975 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.392 9.619 -4.749 1.00 0.00 C ATOM 1096 C ASP A 149 -5.098 9.736 -3.257 1.00 0.00 C ATOM 1097 O ASP A 149 -5.114 10.831 -2.693 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.493 11.012 -5.373 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.212 10.997 -6.863 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -5.562 9.996 -7.524 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.644 11.987 -7.371 1.00 0.00 O ATOM 1102 H ASP A 149 -6.578 7.998 -5.415 1.00 0.00 H ATOM 1103 HA ASP A 149 -4.585 9.080 -5.220 1.00 0.00 H ATOM 1104 HB2 ASP A 149 -6.489 11.398 -5.218 1.00 0.00 H ATOM 1105 HB3 ASP A 149 -4.778 11.666 -4.897 1.00 0.00 H ATOM 1106 N GLU A 150 -4.830 8.599 -2.625 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.531 8.568 -1.199 1.00 0.00 C ATOM 1108 C GLU A 150 -3.187 7.893 -0.944 1.00 0.00 C ATOM 1109 O GLU A 150 -2.981 6.738 -1.315 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.635 7.829 -0.442 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.112 8.557 0.804 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.007 8.751 1.824 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -3.867 8.317 1.553 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.282 9.336 2.892 1.00 0.00 O ATOM 1115 H GLU A 150 -4.832 7.759 -3.130 1.00 0.00 H ATOM 1116 HA GLU A 150 -4.484 9.587 -0.848 1.00 0.00 H ATOM 1117 HB2 GLU A 150 -6.481 7.697 -1.101 1.00 0.00 H ATOM 1118 HB3 GLU A 150 -5.265 6.858 -0.146 1.00 0.00 H ATOM 1119 HG2 GLU A 150 -6.490 9.526 0.516 1.00 0.00 H ATOM 1120 HG3 GLU A 150 -6.905 7.983 1.259 1.00 0.00 H ATOM 1121 N PRO A 151 -2.254 8.611 -0.303 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.923 8.082 0.004 1.00 0.00 C ATOM 1123 C PRO A 151 -0.991 6.770 0.778 1.00 0.00 C ATOM 1124 O PRO A 151 -0.849 6.748 2.001 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.275 9.181 0.862 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.394 10.085 1.265 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.419 9.988 0.173 1.00 0.00 C ATOM 1128 HA PRO A 151 -0.342 7.935 -0.895 1.00 0.00 H ATOM 1129 HB2 PRO A 151 0.198 8.735 1.723 1.00 0.00 H ATOM 1130 HB3 PRO A 151 0.462 9.708 0.275 1.00 0.00 H ATOM 1131 HG2 PRO A 151 -1.814 9.754 2.203 1.00 0.00 H ATOM 1132 HG3 PRO A 151 -1.034 11.099 1.351 1.00 0.00 H ATOM 1133 HD2 PRO A 151 -3.412 10.145 0.570 1.00 0.00 H ATOM 1134 HD3 PRO A 151 -2.206 10.696 -0.614 1.00 0.00 H ATOM 1135 N LEU A 152 -1.211 5.676 0.055 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.299 4.356 0.669 1.00 0.00 C ATOM 1137 C LEU A 152 -0.016 4.017 1.418 1.00 0.00 C ATOM 1138 O LEU A 152 -0.055 3.533 2.548 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.579 3.292 -0.395 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.035 3.202 -0.854 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.114 2.706 -2.289 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.828 2.290 0.071 1.00 0.00 C ATOM 1143 H LEU A 152 -1.317 5.758 -0.917 1.00 0.00 H ATOM 1144 HA LEU A 152 -2.118 4.372 1.373 1.00 0.00 H ATOM 1145 HB2 LEU A 152 -0.963 3.506 -1.257 1.00 0.00 H ATOM 1146 HB3 LEU A 152 -1.291 2.331 0.005 1.00 0.00 H ATOM 1147 HG LEU A 152 -3.479 4.186 -0.817 1.00 0.00 H ATOM 1148 HD11 LEU A 152 -2.534 3.357 -2.927 1.00 0.00 H ATOM 1149 HD12 LEU A 152 -2.718 1.702 -2.346 1.00 0.00 H ATOM 1150 HD13 LEU A 152 -4.143 2.706 -2.615 1.00 0.00 H ATOM 1151 HD21 LEU A 152 -3.776 2.668 1.081 1.00 0.00 H ATOM 1152 HD22 LEU A 152 -4.858 2.260 -0.250 1.00 0.00 H ATOM 1153 HD23 LEU A 152 -3.412 1.294 0.038 1.00 0.00 H ATOM 1154 N VAL A 153 1.120 4.276 0.781 1.00 0.00 N ATOM 1155 CA VAL A 153 2.415 3.999 1.389 1.00 0.00 C ATOM 1156 C VAL A 153 3.519 4.824 0.738 1.00 0.00 C ATOM 1157 O VAL A 153 3.641 4.862 -0.487 1.00 0.00 O ATOM 1158 CB VAL A 153 2.777 2.506 1.283 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.712 2.100 2.412 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.518 1.650 1.289 1.00 0.00 C ATOM 1161 H VAL A 153 1.088 4.664 -0.118 1.00 0.00 H ATOM 1162 HA VAL A 153 2.354 4.259 2.436 1.00 0.00 H ATOM 1163 HB VAL A 153 3.290 2.346 0.346 1.00 0.00 H ATOM 1164 HG11 VAL A 153 3.390 2.567 3.331 1.00 0.00 H ATOM 1165 HG12 VAL A 153 3.691 1.026 2.527 1.00 0.00 H ATOM 1166 HG13 VAL A 153 4.717 2.418 2.179 1.00 0.00 H ATOM 1167 HG21 VAL A 153 0.844 1.997 0.521 1.00 0.00 H ATOM 1168 HG22 VAL A 153 1.782 0.621 1.098 1.00 0.00 H ATOM 1169 HG23 VAL A 153 1.037 1.727 2.253 1.00 0.00 H ATOM 1170 N VAL A 154 4.319 5.485 1.567 1.00 0.00 N ATOM 1171 CA VAL A 154 5.414 6.312 1.076 1.00 0.00 C ATOM 1172 C VAL A 154 6.756 5.614 1.266 1.00 0.00 C ATOM 1173 O VAL A 154 7.157 5.311 2.389 1.00 0.00 O ATOM 1174 CB VAL A 154 5.452 7.674 1.794 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.064 8.295 1.830 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.012 7.522 3.199 1.00 0.00 C ATOM 1177 H VAL A 154 4.170 5.415 2.533 1.00 0.00 H ATOM 1178 HA VAL A 154 5.255 6.487 0.022 1.00 0.00 H ATOM 1179 HB VAL A 154 6.102 8.333 1.237 1.00 0.00 H ATOM 1180 HG11 VAL A 154 3.402 7.737 1.185 1.00 0.00 H ATOM 1181 HG12 VAL A 154 3.686 8.271 2.842 1.00 0.00 H ATOM 1182 HG13 VAL A 154 4.118 9.319 1.491 1.00 0.00 H ATOM 1183 HG21 VAL A 154 5.622 6.620 3.647 1.00 0.00 H ATOM 1184 HG22 VAL A 154 7.090 7.462 3.151 1.00 0.00 H ATOM 1185 HG23 VAL A 154 5.725 8.375 3.795 1.00 0.00 H ATOM 1186 N ILE A 155 7.446 5.358 0.159 1.00 0.00 N ATOM 1187 CA ILE A 155 8.742 4.692 0.203 1.00 0.00 C ATOM 1188 C ILE A 155 9.870 5.693 0.428 1.00 0.00 C ATOM 1189 O ILE A 155 9.776 6.851 0.021 1.00 0.00 O ATOM 1190 CB ILE A 155 9.015 3.910 -1.096 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.717 3.310 -1.637 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.049 2.821 -0.853 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.177 4.032 -2.853 1.00 0.00 C ATOM 1194 H ILE A 155 7.074 5.621 -0.708 1.00 0.00 H ATOM 1195 HA ILE A 155 8.728 3.990 1.024 1.00 0.00 H ATOM 1196 HB ILE A 155 9.417 4.597 -1.826 1.00 0.00 H ATOM 1197 HG12 ILE A 155 7.890 2.281 -1.913 1.00 0.00 H ATOM 1198 HG13 ILE A 155 6.961 3.349 -0.865 1.00 0.00 H ATOM 1199 HG21 ILE A 155 10.926 3.252 -0.395 1.00 0.00 H ATOM 1200 HG22 ILE A 155 9.632 2.070 -0.198 1.00 0.00 H ATOM 1201 HG23 ILE A 155 10.320 2.366 -1.794 1.00 0.00 H ATOM 1202 HD11 ILE A 155 7.629 5.011 -2.921 1.00 0.00 H ATOM 1203 HD12 ILE A 155 7.411 3.465 -3.741 1.00 0.00 H ATOM 1204 HD13 ILE A 155 6.106 4.137 -2.763 1.00 0.00 H ATOM 1205 N GLU A 156 10.937 5.238 1.077 1.00 0.00 N ATOM 1206 CA GLU A 156 12.085 6.093 1.358 1.00 0.00 C ATOM 1207 C GLU A 156 13.036 6.135 0.165 1.00 0.00 C ATOM 1208 O GLU A 156 13.579 7.224 -0.118 1.00 0.00 O ATOM 1209 CB GLU A 156 12.827 5.593 2.599 1.00 0.00 C ATOM 1210 CG GLU A 156 13.880 6.562 3.111 1.00 0.00 C ATOM 1211 CD GLU A 156 15.195 5.879 3.430 1.00 0.00 C ATOM 1212 OE1 GLU A 156 15.877 5.433 2.484 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.543 5.789 4.626 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.228 5.080 -0.475 1.00 0.00 O ATOM 1215 H GLU A 156 10.952 4.306 1.376 1.00 0.00 H ATOM 1216 HA GLU A 156 11.717 7.091 1.546 1.00 0.00 H ATOM 1217 HB2 GLU A 156 12.109 5.423 3.389 1.00 0.00 H ATOM 1218 HB3 GLU A 156 13.314 4.659 2.360 1.00 0.00 H ATOM 1219 HG2 GLU A 156 14.056 7.315 2.356 1.00 0.00 H ATOM 1220 HG3 GLU A 156 13.508 7.035 4.009 1.00 0.00 H TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.780 -9.676 2.096 1.00 0.00 C HETATM 1223 O11 BTN A 222 -15.077 -10.770 1.614 1.00 0.00 O HETATM 1224 C10 BTN A 222 -15.012 -9.449 3.577 1.00 0.00 C HETATM 1225 C9 BTN A 222 -13.872 -8.688 4.234 1.00 0.00 C HETATM 1226 C8 BTN A 222 -12.530 -9.347 3.958 1.00 0.00 C HETATM 1227 C7 BTN A 222 -11.421 -8.722 4.789 1.00 0.00 C HETATM 1228 C2 BTN A 222 -10.022 -8.940 4.204 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.351 -10.646 4.367 1.00 0.00 S HETATM 1230 C6 BTN A 222 -7.623 -10.027 4.256 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.619 -8.697 5.001 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.471 -8.866 6.443 1.00 0.00 N HETATM 1233 C3 BTN A 222 -8.504 -8.421 7.160 1.00 0.00 C HETATM 1234 O3 BTN A 222 -8.614 -8.454 8.385 1.00 0.00 O HETATM 1235 N2 BTN A 222 -9.397 -7.938 6.298 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.992 -8.035 4.901 1.00 0.00 C HETATM 1237 H101 BTN A 222 -15.117 -10.409 4.060 1.00 0.00 H HETATM 1238 H102 BTN A 222 -15.922 -8.884 3.701 1.00 0.00 H HETATM 1239 H91 BTN A 222 -14.038 -8.663 5.302 1.00 0.00 H HETATM 1240 H92 BTN A 222 -13.853 -7.681 3.848 1.00 0.00 H HETATM 1241 H81 BTN A 222 -12.293 -9.231 2.910 1.00 0.00 H HETATM 1242 H82 BTN A 222 -12.599 -10.397 4.199 1.00 0.00 H HETATM 1243 H71 BTN A 222 -11.456 -9.153 5.779 1.00 0.00 H HETATM 1244 H72 BTN A 222 -11.607 -7.662 4.860 1.00 0.00 H HETATM 1245 H2 BTN A 222 -10.036 -8.689 3.154 1.00 0.00 H HETATM 1246 H61 BTN A 222 -7.314 -9.856 3.235 1.00 0.00 H HETATM 1247 H62 BTN A 222 -6.919 -10.693 4.729 1.00 0.00 H HETATM 1248 H5 BTN A 222 -6.859 -8.030 4.622 1.00 0.00 H HETATM 1249 HN1 BTN A 222 -6.677 -9.272 6.852 1.00 0.00 H HETATM 1250 HN2 BTN A 222 -10.252 -7.550 6.579 1.00 0.00 H HETATM 1251 H4 BTN A 222 -8.934 -7.066 4.436 1.00 0.00 H