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HEADER HYDROLASE/DNA 02-MAY-08 3D0P
TITLE INSIGHTS INTO RNA/DNA HYBRID RECOGNITION AND PROCESSING BY
TITLE 2 RNASE H FROM THE CRYSTAL STRUCTURE OF A NON-SPECIFIC
TITLE 3 ENZYME-DSDNA COMPLEX
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIBONUCLEASE H;
COMPND 3 CHAIN: A, C;
COMPND 4 SYNONYM: RNASE H;
COMPND 5 EC: 3.1.26.4;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES;
COMPND 8 MOL_ID: 2;
COMPND 9 MOLECULE: DNA (5'-
COMPND 10 D(*DCP*DGP*DCP*DGP*DAP*DAP*DTP*DTP*DCP*DGP*DCP*DG)-3');
COMPND 11 CHAIN: B, D;
COMPND 12 ENGINEERED: YES;
COMPND 13 OTHER_DETAILS: DICKERSON DODECAMER
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: BACILLUS HALODURANS RNASE H, D132N MUTANT;
SOURCE 4 MOL_ID: 2;
SOURCE 5 SYNTHETIC: YES;
SOURCE 6 OTHER_DETAILS: SYNTHETIC DNA
KEYWDS RNASE H-DNA COMPLEX, A-FORM, B-FORM, METAL IONS, PROTEIN-
KEYWDS 2 DNA COMPLEX, X-RAY CRYSTALLOGRAPHY, CYTOPLASM, ENDONUCLEASE,
KEYWDS 3 HYDROLASE, MAGNESIUM, MANGANESE, METAL-BINDING, NUCLEASE,
KEYWDS 4 HYDROLASE/DNA COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR P.S.PALLAN,M.EGLI
REVDAT 2 24-FEB-09 3D0P 1 VERSN
REVDAT 1 07-OCT-08 3D0P 0
JRNL AUTH P.S.PALLAN,M.EGLI
JRNL TITL INSIGHTS INTO RNA/DNA HYBRID RECOGNITION AND
JRNL TITL 2 PROCESSING BY RNASE H FROM THE CRYSTAL STRUCTURE
JRNL TITL 3 OF A NON-SPECIFIC ENZYME-DSDNA COMPLEX.
JRNL REF CELL CYCLE V. 7 2562 2008
JRNL REFN ISSN 1538-4101
JRNL PMID 18719385
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS1.1, REFMAC 5.4.0066
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.59
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 100.0
REMARK 3 NUMBER OF REFLECTIONS : 35877
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.214
REMARK 3 FREE R VALUE : 0.241
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 1886
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 20
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2515
REMARK 3 BIN R VALUE (WORKING SET) : 0.2560
REMARK 3 BIN FREE R VALUE : 0.2850
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 120
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 2169
REMARK 3 NUCLEIC ACID ATOMS : 486
REMARK 3 HETEROGEN ATOMS : 1
REMARK 3 SOLVENT ATOMS : 166
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.47
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.44000
REMARK 3 B22 (A**2) : -1.40000
REMARK 3 B33 (A**2) : 1.32000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : -1.42000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : NULL
REMARK 3 BOND ANGLES (DEGREES) : NULL
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : MASK
REMARK 3 KSOL : NULL
REMARK 3 BSOL : NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE
REMARK 3 RIDING POSITIONS
REMARK 4
REMARK 4 3D0P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAY-08.
REMARK 100 THE RCSB ID CODE IS RCSB047444.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 21-OCT-07
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 4.6
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 21-ID-F
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97850
REMARK 200 MONOCHROMATOR : C(111)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200 DATA SCALING SOFTWARE : HKL-2000
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37768
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800
REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 97.3
REMARK 200 DATA REDUNDANCY : 7.700
REMARK 200 R MERGE (I) : 0.06100
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 12.4000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86
REMARK 200 COMPLETENESS FOR SHELL (%) : 94.7
REMARK 200 DATA REDUNDANCY IN SHELL : 7.30
REMARK 200 R MERGE FOR SHELL (I) : 0.24800
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 12.400
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: MOLREP
REMARK 200 STARTING MODEL: PDB ENTRY 1ZBI, USING ONE PROTEIN MOLECULE.
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 55.94
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM ACETATE, 8 % (W/V) PEG
REMARK 280 4000, PH 4.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
REMARK 290 4555 -X+1/2,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 49.19850
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.33000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 49.19850
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 33.33000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 300 REMARK: THE SECOND PART OF THE BIOLOGICAL ASSEMBLY IS GENERATED
REMARK 300 BY THE TWO FOLD AXIS OF CHAIN IDENTIFIER A: -X, Y, -Z
REMARK 300 -1.000000 0.000000 0.000000
REMARK 300 0.000000 1.000000 0.000000
REMARK 300 0.000000 0.000000 -1.000000
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 4040 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 15980 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 4400 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 16050 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 57.28006
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 65.01544
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 GLU C 61
REMARK 480
REMARK 480 ZERO OCCUPANCY ATOM
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 480 M RES C SSEQI ATOMS
REMARK 480 GLN A 75 CB CG CD OE1 NE2
REMARK 480 GLN C 75 CB CG CD
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 DC B 3 O4' - C1' - N1 ANGL. DEV. = -5.8 DEGREES
REMARK 500 DG B 4 O5' - C5' - C4' ANGL. DEV. = -5.1 DEGREES
REMARK 500 DC B 9 O4' - C1' - N1 ANGL. DEV. = -4.7 DEGREES
REMARK 500 DC B 11 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES
REMARK 500 DC D 1 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 DG D 2 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 DC D 3 O4' - C1' - N1 ANGL. DEV. = -4.4 DEGREES
REMARK 500 DG D 4 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES
REMARK 500 DG D 4 C3' - O3' - P ANGL. DEV. = 7.7 DEGREES
REMARK 500 DC D 9 O4' - C4' - C3' ANGL. DEV. = -4.5 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
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 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 GLU A 62 -153.48 -82.17
REMARK 500 GLN A 75 -105.54 -84.44
REMARK 500 ASP A 192 131.27 -33.77
REMARK 500 SER C 74 111.33 -162.87
REMARK 500 ASP C 192 130.26 -39.92
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH A 206 DISTANCE = 5.58 ANGSTROMS
REMARK 525 HOH A 254 DISTANCE = 5.27 ANGSTROMS
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 NA C 1 NA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HOH C 262 O
REMARK 620 2 HOH C 266 O 88.7
REMARK 620 3 HOH C 285 O 95.4 77.3
REMARK 620 N 1 2
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA C 1
DBREF 3D0P B 1 12 PDB 3D0P 3D0P 1 12
DBREF 3D0P D 1 12 PDB 3D0P 3D0P 1 12
DBREF 3D0P A 61 194 UNP Q9KEI9 RNH1_BACHD 61 194
DBREF 3D0P C 61 194 UNP Q9KEI9 RNH1_BACHD 61 194
SEQADV 3D0P ASN A 132 UNP Q9KEI9 ASP 132 ENGINEERED
SEQADV 3D0P ASN C 132 UNP Q9KEI9 ASP 132 ENGINEERED
SEQRES 1 A 134 GLU GLU ILE ILE TRP GLU SER LEU SER VAL ASP VAL GLY
SEQRES 2 A 134 SER GLN GLY ASN PRO GLY ILE VAL GLU TYR LYS GLY VAL
SEQRES 3 A 134 ASP THR LYS THR GLY GLU VAL LEU PHE GLU ARG GLU PRO
SEQRES 4 A 134 ILE PRO ILE GLY THR ASN ASN MET GLY GLU PHE LEU ALA
SEQRES 5 A 134 ILE VAL HIS GLY LEU ARG TYR LEU LYS GLU ARG ASN SER
SEQRES 6 A 134 ARG LYS PRO ILE TYR SER ASN SER GLN THR ALA ILE LYS
SEQRES 7 A 134 TRP VAL LYS ASP LYS LYS ALA LYS SER THR LEU VAL ARG
SEQRES 8 A 134 ASN GLU GLU THR ALA LEU ILE TRP LYS LEU VAL ASP GLU
SEQRES 9 A 134 ALA GLU GLU TRP LEU ASN THR HIS THR TYR GLU THR PRO
SEQRES 10 A 134 ILE LEU LYS TRP GLN THR ASP LYS TRP GLY GLU ILE LYS
SEQRES 11 A 134 ALA ASP TYR GLY
SEQRES 1 B 12 DC DG DC DG DA DA DT DT DC DG DC DG
SEQRES 1 C 134 GLU GLU ILE ILE TRP GLU SER LEU SER VAL ASP VAL GLY
SEQRES 2 C 134 SER GLN GLY ASN PRO GLY ILE VAL GLU TYR LYS GLY VAL
SEQRES 3 C 134 ASP THR LYS THR GLY GLU VAL LEU PHE GLU ARG GLU PRO
SEQRES 4 C 134 ILE PRO ILE GLY THR ASN ASN MET GLY GLU PHE LEU ALA
SEQRES 5 C 134 ILE VAL HIS GLY LEU ARG TYR LEU LYS GLU ARG ASN SER
SEQRES 6 C 134 ARG LYS PRO ILE TYR SER ASN SER GLN THR ALA ILE LYS
SEQRES 7 C 134 TRP VAL LYS ASP LYS LYS ALA LYS SER THR LEU VAL ARG
SEQRES 8 C 134 ASN GLU GLU THR ALA LEU ILE TRP LYS LEU VAL ASP GLU
SEQRES 9 C 134 ALA GLU GLU TRP LEU ASN THR HIS THR TYR GLU THR PRO
SEQRES 10 C 134 ILE LEU LYS TRP GLN THR ASP LYS TRP GLY GLU ILE LYS
SEQRES 11 C 134 ALA ASP TYR GLY
SEQRES 1 D 12 DC DG DC DG DA DA DT DT DC DG DC DG
HET NA C 1 1
HETNAM NA SODIUM ION
FORMUL 5 NA NA 1+
FORMUL 6 HOH *166(H2 O)
HELIX 1 1 THR A 104 ARG A 123 1 20
HELIX 2 2 SER A 133 LYS A 143 1 11
HELIX 3 3 ASN A 152 GLU A 154 5 3
HELIX 4 4 THR A 155 HIS A 172 1 18
HELIX 5 5 GLN A 182 GLY A 187 1 6
HELIX 6 6 THR C 104 ARG C 123 1 20
HELIX 7 7 SER C 133 LYS C 143 1 11
HELIX 8 8 THR C 155 HIS C 172 1 18
HELIX 9 9 GLN C 182 GLY C 187 1 6
SHEET 1 A 5 VAL A 93 GLY A 103 0
SHEET 2 A 5 GLY A 79 ASP A 87 -1 N VAL A 81 O ILE A 100
SHEET 3 A 5 LEU A 68 SER A 74 -1 N SER A 69 O VAL A 86
SHEET 4 A 5 ILE A 129 SER A 131 1 O TYR A 130 N LEU A 68
SHEET 5 A 5 ILE A 178 LYS A 180 1 O LEU A 179 N ILE A 129
SHEET 1 B 5 VAL C 93 GLY C 103 0
SHEET 2 B 5 GLY C 79 ASP C 87 -1 N TYR C 83 O ARG C 97
SHEET 3 B 5 LEU C 68 SER C 74 -1 N SER C 69 O VAL C 86
SHEET 4 B 5 ILE C 129 SER C 131 1 O TYR C 130 N LEU C 68
SHEET 5 B 5 ILE C 178 LYS C 180 1 O LEU C 179 N ILE C 129
LINK NA NA C 1 O HOH C 262 1555 1555 2.20
LINK NA NA C 1 O HOH C 266 1555 1555 2.36
LINK NA NA C 1 O HOH C 285 1555 1555 2.45
CISPEP 1 GLU A 61 GLU A 62 0 -2.92
CISPEP 2 ASN A 77 PRO A 78 0 2.87
CISPEP 3 ASN C 77 PRO C 78 0 3.55
SITE 1 AC1 4 LEU C 111 HOH C 262 HOH C 266 HOH C 285
CRYST1 98.397 66.660 76.926 90.00 122.31 90.00 C 1 2 1 8
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 0.010163 0.000000 0.006427 0.00000
SCALE2 0.000000 0.015002 0.000000 0.00000
SCALE3 0.000000 0.000000 0.015381 0.00000
ATOM 1 N GLU A 61 22.470 13.802 13.521 1.00 56.14 N
ATOM 2 CA GLU A 61 21.559 14.872 14.005 1.00 55.83 C
ATOM 3 C GLU A 61 22.139 15.526 15.281 1.00 54.99 C
ATOM 4 O GLU A 61 21.499 15.476 16.343 1.00 55.99 O
ATOM 5 CB GLU A 61 20.151 14.287 14.234 1.00 56.20 C
ATOM 6 CG GLU A 61 19.533 13.556 13.006 1.00 57.94 C
ATOM 7 CD GLU A 61 20.122 12.146 12.714 1.00 59.82 C
ATOM 8 OE1 GLU A 61 21.055 11.693 13.419 1.00 60.25 O
ATOM 9 OE2 GLU A 61 19.652 11.480 11.754 1.00 60.09 O
ATOM 10 N GLU A 62 23.346 16.117 15.205 1.00 53.08 N
ATOM 11 CA GLU A 62 24.185 16.129 13.993 1.00 50.49 C
ATOM 12 C GLU A 62 25.020 14.843 13.788 1.00 47.43 C
ATOM 13 O GLU A 62 24.630 13.773 14.250 1.00 47.98 O
ATOM 14 CB GLU A 62 25.010 17.422 13.859 1.00 51.44 C
ATOM 15 CG GLU A 62 24.323 18.483 12.975 1.00 53.76 C
ATOM 16 CD GLU A 62 25.292 19.422 12.253 1.00 57.37 C
ATOM 17 OE1 GLU A 62 24.846 20.481 11.741 1.00 55.61 O
ATOM 18 OE2 GLU A 62 26.504 19.103 12.187 1.00 60.45 O
ATOM 19 N ILE A 63 26.148 14.943 13.096 1.00 43.85 N
ATOM 20 CA ILE A 63 26.718 13.795 12.379 1.00 39.56 C
ATOM 21 C ILE A 63 27.781 12.976 13.128 1.00 38.52 C
ATOM 22 O ILE A 63 28.760 13.531 13.647 1.00 37.05 O
ATOM 23 CB ILE A 63 27.316 14.262 11.022 1.00 38.95 C
ATOM 24 CG1 ILE A 63 26.278 15.022 10.202 1.00 36.00 C
ATOM 25 CG2 ILE A 63 27.910 13.110 10.246 1.00 37.31 C
ATOM 26 CD1 ILE A 63 26.899 15.932 9.153 1.00 34.85 C
ATOM 27 N ILE A 64 27.591 11.651 13.162 1.00 35.78 N
ATOM 28 CA ILE A 64 28.632 10.747 13.627 1.00 35.09 C
ATOM 29 C ILE A 64 29.488 10.434 12.429 1.00 34.11 C
ATOM 30 O ILE A 64 29.132 9.568 11.617 1.00 33.31 O
ATOM 31 CB ILE A 64 28.079 9.408 14.198 1.00 34.92 C
ATOM 32 CG1 ILE A 64 27.057 9.644 15.323 1.00 36.75 C
ATOM 33 CG2 ILE A 64 29.237 8.492 14.618 1.00 33.96 C
ATOM 34 CD1 ILE A 64 27.663 10.235 16.615 1.00 41.93 C
ATOM 35 N TRP A 65 30.614 11.137 12.323 1.00 34.31 N
ATOM 36 CA TRP A 65 31.535 10.995 11.200 1.00 34.10 C
ATOM 37 C TRP A 65 32.234 9.650 11.167 1.00 33.56 C
ATOM 38 O TRP A 65 32.625 9.158 10.095 1.00 32.41 O
ATOM 39 CB TRP A 65 32.539 12.143 11.167 1.00 34.48 C
ATOM 40 CG TRP A 65 31.878 13.436 10.828 1.00 35.02 C
ATOM 41 CD1 TRP A 65 31.578 14.460 11.685 1.00 36.16 C
ATOM 42 CD2 TRP A 65 31.388 13.836 9.534 1.00 35.77 C
ATOM 43 NE1 TRP A 65 30.926 15.475 11.004 1.00 33.96 N
ATOM 44 CE2 TRP A 65 30.813 15.119 9.682 1.00 35.50 C
ATOM 45 CE3 TRP A 65 31.382 13.227 8.264 1.00 35.85 C
ATOM 46 CZ2 TRP A 65 30.256 15.815 8.603 1.00 34.44 C
ATOM 47 CZ3 TRP A 65 30.813 13.908 7.185 1.00 33.48 C
ATOM 48 CH2 TRP A 65 30.254 15.194 7.363 1.00 37.07 C
ATOM 49 N GLU A 66 32.385 9.035 12.338 1.00 32.32 N
ATOM 50 CA GLU A 66 33.044 7.746 12.401 1.00 32.31 C
ATOM 51 C GLU A 66 31.984 6.650 12.232 1.00 32.09 C
ATOM 52 O GLU A 66 31.448 6.102 13.190 1.00 32.54 O
ATOM 53 CB GLU A 66 33.837 7.618 13.725 1.00 34.14 C
ATOM 54 CG GLU A 66 35.081 6.755 13.597 1.00 37.26 C
ATOM 55 CD GLU A 66 36.093 7.330 12.616 1.00 40.22 C
ATOM 56 OE1 GLU A 66 36.223 8.573 12.531 1.00 44.23 O
ATOM 57 OE2 GLU A 66 36.743 6.522 11.910 1.00 41.60 O
ATOM 58 N SER A 67 31.602 6.404 10.977 1.00 31.11 N
ATOM 59 CA SER A 67 30.402 5.587 10.698 1.00 30.74 C
ATOM 60 C SER A 67 30.551 4.946 9.351 1.00 30.56 C
ATOM 61 O SER A 67 31.523 5.186 8.639 1.00 30.15 O
ATOM 62 CB SER A 67 29.136 6.440 10.715 1.00 30.95 C
ATOM 63 OG SER A 67 29.241 7.528 9.798 1.00 29.93 O
ATOM 64 N LEU A 68 29.575 4.113 9.012 1.00 30.17 N
ATOM 65 CA LEU A 68 29.561 3.432 7.736 1.00 30.25 C
ATOM 66 C LEU A 68 28.362 3.970 6.948 1.00 28.32 C
ATOM 67 O LEU A 68 27.268 4.011 7.452 1.00 28.20 O
ATOM 68 CB LEU A 68 29.380 1.936 7.986 1.00 30.87 C
ATOM 69 CG LEU A 68 29.261 0.985 6.794 1.00 33.27 C
ATOM 70 CD1 LEU A 68 30.575 0.902 5.998 1.00 33.98 C
ATOM 71 CD2 LEU A 68 28.829 -0.415 7.320 1.00 33.88 C
ATOM 72 N SER A 69 28.580 4.423 5.731 1.00 26.80 N
ATOM 73 CA SER A 69 27.453 4.912 4.917 1.00 25.82 C
ATOM 74 C SER A 69 27.249 3.842 3.851 1.00 24.41 C
ATOM 75 O SER A 69 28.213 3.419 3.194 1.00 24.49 O
ATOM 76 CB SER A 69 27.790 6.282 4.269 1.00 26.65 C
ATOM 77 OG SER A 69 27.738 7.350 5.237 1.00 27.48 O
ATOM 78 N VAL A 70 26.015 3.422 3.661 1.00 24.28 N
ATOM 79 CA VAL A 70 25.740 2.407 2.626 1.00 24.28 C
ATOM 80 C VAL A 70 24.870 3.014 1.524 1.00 24.57 C
ATOM 81 O VAL A 70 23.906 3.730 1.822 1.00 25.21 O
ATOM 82 CB VAL A 70 25.117 1.101 3.235 1.00 25.64 C
ATOM 83 CG1 VAL A 70 26.080 0.528 4.288 1.00 25.18 C
ATOM 84 CG2 VAL A 70 23.770 1.363 3.854 1.00 26.74 C
ATOM 85 N ASP A 71 25.213 2.696 0.271 1.00 23.03 N
ATOM 86 CA ASP A 71 24.609 3.351 -0.901 1.00 24.07 C
ATOM 87 C ASP A 71 24.160 2.316 -1.903 1.00 21.96 C
ATOM 88 O ASP A 71 24.869 1.348 -2.125 1.00 22.79 O
ATOM 89 CB ASP A 71 25.646 4.212 -1.659 1.00 25.50 C
ATOM 90 CG ASP A 71 26.345 5.260 -0.789 1.00 29.49 C
ATOM 91 OD1 ASP A 71 27.302 5.830 -1.312 1.00 31.45 O
ATOM 92 OD2 ASP A 71 25.989 5.480 0.391 1.00 31.35 O
ATOM 93 N VAL A 72 23.052 2.583 -2.583 1.00 22.21 N
ATOM 94 CA VAL A 72 22.555 1.702 -3.648 1.00 21.33 C
ATOM 95 C VAL A 72 22.685 2.418 -4.979 1.00 21.33 C
ATOM 96 O VAL A 72 22.496 3.641 -5.048 1.00 19.82 O
ATOM 97 CB VAL A 72 21.077 1.269 -3.446 1.00 20.82 C
ATOM 98 CG1 VAL A 72 20.059 2.492 -3.559 1.00 21.10 C
ATOM 99 CG2 VAL A 72 20.710 0.089 -4.402 1.00 19.24 C
ATOM 100 N GLY A 73 22.998 1.653 -6.025 1.00 20.78 N
ATOM 101 CA GLY A 73 23.143 2.256 -7.364 1.00 23.46 C
ATOM 102 C GLY A 73 22.185 1.554 -8.297 1.00 25.56 C
ATOM 103 O GLY A 73 22.163 0.324 -8.328 1.00 24.51 O
ATOM 104 N SER A 74 21.376 2.334 -9.015 1.00 29.47 N
ATOM 105 CA SER A 74 20.265 1.846 -9.815 1.00 34.46 C
ATOM 106 C SER A 74 20.231 2.569 -11.187 1.00 36.99 C
ATOM 107 O SER A 74 20.324 3.787 -11.211 1.00 37.65 O
ATOM 108 CB SER A 74 18.992 2.247 -9.082 1.00 34.91 C
ATOM 109 OG SER A 74 17.931 1.388 -9.378 1.00 38.23 O
ATOM 110 N GLN A 75 20.120 1.808 -12.286 1.00 39.36 N
ATOM 111 CA GLN A 75 19.859 2.333 -13.652 1.00 41.38 C
ATOM 112 C GLN A 75 18.331 2.505 -13.786 1.00 39.80 C
ATOM 113 O GLN A 75 17.735 3.413 -13.208 1.00 41.82 O
ATOM 114 CB GLN A 75 20.447 1.334 -14.686 0.00 20.00 C
ATOM 115 CG GLN A 75 19.746 1.214 -16.073 0.00 20.00 C
ATOM 116 CD GLN A 75 19.693 -0.245 -16.606 0.00 20.00 C
ATOM 117 OE1 GLN A 75 19.380 -1.207 -15.865 0.00 20.00 O
ATOM 118 NE2 GLN A 75 19.979 -0.403 -17.906 0.00 20.00 N
ATOM 119 N GLY A 76 17.684 1.624 -14.520 1.00 38.73 N
ATOM 120 CA GLY A 76 16.238 1.534 -14.456 1.00 35.08 C
ATOM 121 C GLY A 76 15.938 0.933 -13.097 1.00 33.20 C
ATOM 122 O GLY A 76 16.811 0.322 -12.478 1.00 31.88 O
ATOM 123 N ASN A 77 14.723 1.163 -12.619 1.00 30.71 N
ATOM 124 CA ASN A 77 14.239 0.608 -11.372 1.00 29.21 C
ATOM 125 C ASN A 77 12.837 0.067 -11.681 1.00 27.93 C
ATOM 126 O ASN A 77 11.905 0.872 -11.849 1.00 28.25 O
ATOM 127 CB ASN A 77 14.154 1.740 -10.352 1.00 28.24 C
ATOM 128 CG ASN A 77 13.689 1.273 -9.006 1.00 27.49 C
ATOM 129 OD1 ASN A 77 14.049 0.173 -8.577 1.00 28.11 O
ATOM 130 ND2 ASN A 77 12.906 2.104 -8.313 1.00 24.47 N
ATOM 131 N PRO A 78 12.658 -1.275 -11.785 1.00 27.25 N
ATOM 132 CA PRO A 78 13.652 -2.339 -11.580 1.00 26.92 C
ATOM 133 C PRO A 78 14.652 -2.389 -12.697 1.00 27.74 C
ATOM 134 O PRO A 78 14.375 -1.932 -13.829 1.00 28.56 O
ATOM 135 CB PRO A 78 12.815 -3.640 -11.573 1.00 27.01 C
ATOM 136 CG PRO A 78 11.419 -3.186 -11.220 1.00 27.01 C
ATOM 137 CD PRO A 78 11.292 -1.821 -11.884 1.00 26.38 C
ATOM 138 N GLY A 79 15.828 -2.898 -12.369 1.00 27.51 N
ATOM 139 CA GLY A 79 16.863 -3.078 -13.344 1.00 27.26 C
ATOM 140 C GLY A 79 18.132 -3.424 -12.612 1.00 26.33 C
ATOM 141 O GLY A 79 18.079 -3.968 -11.514 1.00 26.49 O
ATOM 142 N ILE A 80 19.269 -3.130 -13.224 1.00 26.57 N
ATOM 143 CA ILE A 80 20.567 -3.526 -12.658 1.00 26.34 C
ATOM 144 C ILE A 80 20.832 -2.747 -11.374 1.00 26.32 C
ATOM 145 O ILE A 80 20.697 -1.514 -11.344 1.00 25.92 O
ATOM 146 CB ILE A 80 21.700 -3.278 -13.643 1.00 26.83 C
ATOM 147 CG1 ILE A 80 21.430 -4.042 -14.951 1.00 28.43 C
ATOM 148 CG2 ILE A 80 23.013 -3.675 -13.043 1.00 26.73 C
ATOM 149 CD1 ILE A 80 22.273 -3.518 -16.132 1.00 32.53 C
ATOM 150 N VAL A 81 21.166 -3.470 -10.310 1.00 25.34 N
ATOM 151 CA VAL A 81 21.399 -2.848 -8.993 1.00 25.19 C
ATOM 152 C VAL A 81 22.781 -3.274 -8.424 1.00 24.72 C
ATOM 153 O VAL A 81 23.210 -4.429 -8.579 1.00 25.72 O
ATOM 154 CB VAL A 81 20.264 -3.182 -7.955 1.00 25.51 C
ATOM 155 CG1 VAL A 81 18.913 -2.549 -8.307 1.00 27.81 C
ATOM 156 CG2 VAL A 81 20.096 -4.680 -7.761 1.00 27.70 C
ATOM 157 N GLU A 82 23.438 -2.367 -7.721 1.00 24.32 N
ATOM 158 CA GLU A 82 24.674 -2.673 -7.017 1.00 23.94 C
ATOM 159 C GLU A 82 24.636 -1.866 -5.718 1.00 23.72 C
ATOM 160 O GLU A 82 23.741 -1.050 -5.532 1.00 22.93 O
ATOM 161 CB GLU A 82 25.880 -2.258 -7.860 1.00 25.08 C
ATOM 162 CG GLU A 82 25.811 -0.825 -8.295 1.00 27.01 C
ATOM 163 CD GLU A 82 26.919 -0.443 -9.282 1.00 34.81 C
ATOM 164 OE1 GLU A 82 27.984 -1.104 -9.327 1.00 38.73 O
ATOM 165 OE2 GLU A 82 26.717 0.531 -10.040 1.00 39.74 O
ATOM 166 N TYR A 83 25.558 -2.128 -4.813 1.00 22.66 N
ATOM 167 CA TYR A 83 25.617 -1.337 -3.579 1.00 23.71 C
ATOM 168 C TYR A 83 27.017 -1.381 -3.036 1.00 24.11 C
ATOM 169 O TYR A 83 27.815 -2.227 -3.468 1.00 24.57 O
ATOM 170 CB TYR A 83 24.576 -1.831 -2.546 1.00 23.26 C
ATOM 171 CG TYR A 83 24.819 -3.222 -1.932 1.00 24.40 C
ATOM 172 CD1 TYR A 83 25.841 -3.428 -0.988 1.00 24.78 C
ATOM 173 CD2 TYR A 83 24.033 -4.302 -2.292 1.00 26.07 C
ATOM 174 CE1 TYR A 83 26.082 -4.682 -0.422 1.00 25.77 C
ATOM 175 CE2 TYR A 83 24.247 -5.598 -1.716 1.00 25.66 C
ATOM 176 CZ TYR A 83 25.283 -5.761 -0.792 1.00 27.59 C
ATOM 177 OH TYR A 83 25.504 -6.992 -0.230 1.00 27.96 O
ATOM 178 N LYS A 84 27.297 -0.493 -2.092 1.00 24.54 N
ATOM 179 CA LYS A 84 28.588 -0.411 -1.427 1.00 25.46 C
ATOM 180 C LYS A 84 28.441 0.234 -0.070 1.00 26.36 C
ATOM 181 O LYS A 84 27.424 0.895 0.233 1.00 25.33 O
ATOM 182 CB LYS A 84 29.600 0.342 -2.299 1.00 26.60 C
ATOM 183 CG LYS A 84 29.177 1.789 -2.580 1.00 27.21 C
ATOM 184 CD LYS A 84 30.133 2.517 -3.509 1.00 27.86 C
ATOM 185 CE LYS A 84 29.556 3.914 -3.807 1.00 28.01 C
ATOM 186 NZ LYS A 84 30.390 4.734 -4.769 1.00 28.05 N
ATOM 187 N GLY A 85 29.448 -0.010 0.770 1.00 25.33 N
ATOM 188 CA GLY A 85 29.558 0.593 2.096 1.00 27.12 C
ATOM 189 C GLY A 85 30.864 1.355 2.099 1.00 26.68 C
ATOM 190 O GLY A 85 31.863 0.853 1.615 1.00 27.97 O
ATOM 191 N VAL A 86 30.827 2.576 2.596 1.00 28.10 N
ATOM 192 CA VAL A 86 32.004 3.469 2.575 1.00 29.95 C
ATOM 193 C VAL A 86 32.148 4.098 3.947 1.00 31.06 C
ATOM 194 O VAL A 86 31.146 4.269 4.685 1.00 30.19 O
ATOM 195 CB VAL A 86 31.891 4.585 1.463 1.00 30.33 C
ATOM 196 CG1 VAL A 86 31.488 3.971 0.079 1.00 27.96 C
ATOM 197 CG2 VAL A 86 30.885 5.685 1.887 1.00 31.09 C
ATOM 198 N ASP A 87 33.399 4.421 4.309 1.00 33.36 N
ATOM 199 CA ASP A 87 33.681 5.255 5.484 1.00 35.00 C
ATOM 200 C ASP A 87 33.083 6.635 5.257 1.00 35.14 C
ATOM 201 O ASP A 87 33.399 7.281 4.251 1.00 36.97 O
ATOM 202 CB ASP A 87 35.201 5.359 5.694 1.00 36.35 C
ATOM 203 CG ASP A 87 35.563 6.078 6.982 1.00 38.65 C
ATOM 204 OD1 ASP A 87 36.151 5.438 7.871 1.00 43.61 O
ATOM 205 OD2 ASP A 87 35.221 7.269 7.123 1.00 41.79 O
ATOM 206 N THR A 88 32.230 7.093 6.165 1.00 34.74 N
ATOM 207 CA THR A 88 31.510 8.368 6.023 1.00 35.19 C
ATOM 208 C THR A 88 32.436 9.590 5.859 1.00 37.93 C
ATOM 209 O THR A 88 32.228 10.458 4.976 1.00 38.03 O
ATOM 210 CB THR A 88 30.519 8.559 7.193 1.00 34.29 C
ATOM 211 OG1 THR A 88 29.556 7.491 7.192 1.00 31.39 O
ATOM 212 CG2 THR A 88 29.771 9.895 7.127 1.00 31.98 C
ATOM 213 N LYS A 89 33.484 9.639 6.685 1.00 40.26 N
ATOM 214 CA LYS A 89 34.362 10.818 6.700 1.00 41.38 C
ATOM 215 C LYS A 89 35.321 10.860 5.519 1.00 41.64 C
ATOM 216 O LYS A 89 35.437 11.897 4.848 1.00 41.85 O
ATOM 217 CB LYS A 89 35.092 10.952 8.037 1.00 42.67 C
ATOM 218 CG LYS A 89 36.081 9.838 8.346 1.00 44.74 C
ATOM 219 CD LYS A 89 36.572 9.916 9.787 1.00 49.60 C
ATOM 220 CE LYS A 89 37.462 11.115 10.036 1.00 50.28 C
ATOM 221 NZ LYS A 89 38.065 11.027 11.397 1.00 54.36 N
ATOM 222 N THR A 90 35.954 9.730 5.224 1.00 41.30 N
ATOM 223 CA THR A 90 36.967 9.690 4.169 1.00 42.05 C
ATOM 224 C THR A 90 36.441 9.314 2.775 1.00 42.33 C
ATOM 225 O THR A 90 36.996 9.755 1.754 1.00 41.77 O
ATOM 226 CB THR A 90 38.117 8.725 4.522 1.00 42.38 C
ATOM 227 OG1 THR A 90 37.622 7.385 4.540 1.00 43.24 O
ATOM 228 CG2 THR A 90 38.735 9.067 5.903 1.00 43.31 C
ATOM 229 N GLY A 91 35.408 8.471 2.736 1.00 41.20 N
ATOM 230 CA GLY A 91 34.948 7.893 1.475 1.00 41.31 C
ATOM 231 C GLY A 91 35.601 6.569 1.089 1.00 40.44 C
ATOM 232 O GLY A 91 35.356 6.046 0.004 1.00 41.02 O
ATOM 233 N GLU A 92 36.429 6.006 1.962 1.00 40.26 N
ATOM 234 CA GLU A 92 37.028 4.697 1.674 1.00 39.43 C
ATOM 235 C GLU A 92 35.980 3.597 1.433 1.00 39.24 C
ATOM 236 O GLU A 92 35.080 3.416 2.262 1.00 37.16 O
ATOM 237 CB GLU A 92 37.939 4.277 2.815 1.00 41.03 C
ATOM 238 CG GLU A 92 38.746 3.012 2.543 1.00 42.12 C
ATOM 239 CD GLU A 92 39.565 2.602 3.751 1.00 46.90 C
ATOM 240 OE1 GLU A 92 39.780 3.464 4.643 1.00 50.65 O
ATOM 241 OE2 GLU A 92 39.986 1.423 3.819 1.00 47.09 O
ATOM 242 N VAL A 93 36.120 2.868 0.317 1.00 38.07 N
ATOM 243 CA VAL A 93 35.203 1.746 -0.029 1.00 38.20 C
ATOM 244 C VAL A 93 35.498 0.485 0.801 1.00 37.64 C
ATOM 245 O VAL A 93 36.567 -0.139 0.692 1.00 38.74 O
ATOM 246 CB VAL A 93 35.157 1.462 -1.550 1.00 37.92 C
ATOM 247 CG1 VAL A 93 34.297 0.225 -1.874 1.00 38.31 C
ATOM 248 CG2 VAL A 93 34.592 2.667 -2.268 1.00 37.31 C
ATOM 249 N LEU A 94 34.554 0.129 1.656 1.00 35.96 N
ATOM 250 CA LEU A 94 34.780 -0.933 2.642 1.00 34.71 C
ATOM 251 C LEU A 94 34.249 -2.277 2.185 1.00 34.24 C
ATOM 252 O LEU A 94 34.750 -3.331 2.597 1.00 34.24 O
ATOM 253 CB LEU A 94 34.161 -0.528 3.984 1.00 35.03 C
ATOM 254 CG LEU A 94 35.012 0.181 5.047 1.00 36.13 C
ATOM 255 CD1 LEU A 94 36.425 0.582 4.553 1.00 38.05 C
ATOM 256 CD2 LEU A 94 34.279 1.326 5.768 1.00 33.17 C
ATOM 257 N PHE A 95 33.188 -2.245 1.373 1.00 32.32 N
ATOM 258 CA PHE A 95 32.690 -3.431 0.657 1.00 30.93 C
ATOM 259 C PHE A 95 31.883 -2.951 -0.539 1.00 30.78 C
ATOM 260 O PHE A 95 31.377 -1.824 -0.529 1.00 29.84 O
ATOM 261 CB PHE A 95 31.844 -4.387 1.547 1.00 30.42 C
ATOM 262 CG PHE A 95 30.647 -3.737 2.204 1.00 28.97 C
ATOM 263 CD1 PHE A 95 29.433 -3.606 1.534 1.00 28.78 C
ATOM 264 CD2 PHE A 95 30.732 -3.277 3.508 1.00 28.85 C
ATOM 265 CE1 PHE A 95 28.340 -2.990 2.169 1.00 26.55 C
ATOM 266 CE2 PHE A 95 29.644 -2.656 4.163 1.00 26.95 C
ATOM 267 CZ PHE A 95 28.451 -2.512 3.486 1.00 27.38 C
ATOM 268 N GLU A 96 31.812 -3.783 -1.575 1.00 30.91 N
ATOM 269 CA GLU A 96 31.015 -3.482 -2.773 1.00 32.50 C
ATOM 270 C GLU A 96 30.397 -4.776 -3.308 1.00 32.08 C
ATOM 271 O GLU A 96 31.005 -5.852 -3.246 1.00 32.63 O
ATOM 272 CB GLU A 96 31.835 -2.735 -3.850 1.00 32.67 C
ATOM 273 CG GLU A 96 31.069 -2.475 -5.139 1.00 38.10 C
ATOM 274 CD GLU A 96 31.256 -1.069 -5.724 1.00 42.73 C
ATOM 275 OE1 GLU A 96 32.357 -0.468 -5.540 1.00 41.03 O
ATOM 276 OE2 GLU A 96 30.275 -0.573 -6.371 1.00 42.84 O
ATOM 277 N ARG A 97 29.167 -4.662 -3.784 1.00 31.68 N
ATOM 278 CA ARG A 97 28.465 -5.762 -4.373 1.00 31.34 C
ATOM 279 C ARG A 97 28.447 -5.563 -5.876 1.00 31.75 C
ATOM 280 O ARG A 97 28.027 -4.508 -6.365 1.00 30.50 O
ATOM 281 CB ARG A 97 27.050 -5.799 -3.809 1.00 32.00 C
ATOM 282 CG ARG A 97 26.097 -6.570 -4.629 1.00 32.31 C
ATOM 283 CD ARG A 97 26.278 -8.023 -4.382 1.00 35.44 C
ATOM 284 NE ARG A 97 26.130 -8.776 -5.615 1.00 36.52 N
ATOM 285 CZ ARG A 97 25.957 -10.083 -5.645 1.00 34.99 C
ATOM 286 NH1 ARG A 97 25.894 -10.737 -4.498 1.00 37.09 N
ATOM 287 NH2 ARG A 97 25.819 -10.717 -6.800 1.00 35.12 N
ATOM 288 N GLU A 98 28.916 -6.570 -6.608 1.00 31.81 N
ATOM 289 CA GLU A 98 28.915 -6.516 -8.079 1.00 32.72 C
ATOM 290 C GLU A 98 27.456 -6.463 -8.566 1.00 31.57 C
ATOM 291 O GLU A 98 26.562 -6.986 -7.885 1.00 31.37 O
ATOM 292 CB GLU A 98 29.673 -7.729 -8.665 1.00 33.56 C
ATOM 293 CG GLU A 98 28.799 -8.842 -9.310 1.00 38.53 C
ATOM 294 CD GLU A 98 29.587 -10.091 -9.785 1.00 43.79 C
ATOM 295 OE1 GLU A 98 30.768 -10.276 -9.397 1.00 44.63 O
ATOM 296 OE2 GLU A 98 28.991 -10.907 -10.537 1.00 47.47 O
ATOM 297 N PRO A 99 27.210 -5.832 -9.725 1.00 31.60 N
ATOM 298 CA PRO A 99 25.855 -5.571 -10.159 1.00 30.73 C
ATOM 299 C PRO A 99 25.040 -6.850 -10.309 1.00 30.48 C
ATOM 300 O PRO A 99 25.525 -7.866 -10.846 1.00 30.08 O
ATOM 301 CB PRO A 99 26.055 -4.885 -11.506 1.00 31.43 C
ATOM 302 CG PRO A 99 27.331 -4.212 -11.378 1.00 32.33 C
ATOM 303 CD PRO A 99 28.178 -5.204 -10.648 1.00 31.80 C
ATOM 304 N ILE A 100 23.820 -6.781 -9.788 1.00 28.88 N
ATOM 305 CA ILE A 100 22.809 -7.838 -9.905 1.00 29.32 C
ATOM 306 C ILE A 100 21.905 -7.433 -11.077 1.00 29.95 C
ATOM 307 O ILE A 100 21.352 -6.318 -11.072 1.00 29.37 O
ATOM 308 CB ILE A 100 22.005 -7.948 -8.570 1.00 28.35 C
ATOM 309 CG1 ILE A 100 22.944 -8.381 -7.420 1.00 29.66 C
ATOM 310 CG2 ILE A 100 20.872 -8.955 -8.686 1.00 27.89 C
ATOM 311 CD1 ILE A 100 22.340 -8.172 -6.023 1.00 27.16 C
ATOM 312 N PRO A 101 21.755 -8.314 -12.098 1.00 29.70 N
ATOM 313 CA PRO A 101 20.988 -7.932 -13.290 1.00 30.42 C
ATOM 314 C PRO A 101 19.609 -7.315 -13.060 1.00 29.79 C
ATOM 315 O PRO A 101 19.283 -6.325 -13.719 1.00 29.98 O
ATOM 316 CB PRO A 101 20.887 -9.264 -14.057 1.00 30.82 C
ATOM 317 CG PRO A 101 22.220 -9.857 -13.817 1.00 30.96 C
ATOM 318 CD PRO A 101 22.429 -9.614 -12.317 1.00 30.31 C
ATOM 319 N ILE A 102 18.805 -7.892 -12.165 1.00 29.34 N
ATOM 320 CA ILE A 102 17.481 -7.337 -11.883 1.00 28.78 C
ATOM 321 C ILE A 102 17.185 -7.239 -10.401 1.00 27.82 C
ATOM 322 O ILE A 102 17.175 -8.255 -9.703 1.00 27.03 O
ATOM 323 CB ILE A 102 16.330 -8.130 -12.576 1.00 30.36 C
ATOM 324 CG1 ILE A 102 16.584 -8.229 -14.082 1.00 33.45 C
ATOM 325 CG2 ILE A 102 15.004 -7.452 -12.329 1.00 31.22 C
ATOM 326 CD1 ILE A 102 15.492 -8.946 -14.866 1.00 37.94 C
ATOM 327 N GLY A 103 16.910 -6.018 -9.955 1.00 25.16 N
ATOM 328 CA GLY A 103 16.487 -5.763 -8.589 1.00 25.68 C
ATOM 329 C GLY A 103 15.807 -4.417 -8.529 1.00 24.59 C
ATOM 330 O GLY A 103 15.595 -3.792 -9.552 1.00 25.55 O
ATOM 331 N THR A 104 15.457 -3.954 -7.330 1.00 23.67 N
ATOM 332 CA THR A 104 14.948 -2.586 -7.174 1.00 22.15 C
ATOM 333 C THR A 104 15.890 -1.831 -6.247 1.00 21.77 C
ATOM 334 O THR A 104 16.679 -2.439 -5.537 1.00 20.55 O
ATOM 335 CB THR A 104 13.563 -2.542 -6.541 1.00 22.17 C
ATOM 336 OG1 THR A 104 13.662 -3.045 -5.193 1.00 23.38 O
ATOM 337 CG2 THR A 104 12.502 -3.375 -7.383 1.00 22.17 C
ATOM 338 N ASN A 105 15.798 -0.493 -6.291 1.00 21.73 N
ATOM 339 CA ASN A 105 16.506 0.393 -5.382 1.00 21.70 C
ATOM 340 C ASN A 105 16.321 -0.045 -3.938 1.00 21.15 C
ATOM 341 O ASN A 105 17.295 -0.177 -3.194 1.00 20.29 O
ATOM 342 CB ASN A 105 15.981 1.857 -5.528 1.00 23.25 C
ATOM 343 CG ASN A 105 14.407 2.002 -5.417 1.00 26.77 C
ATOM 344 OD1 ASN A 105 13.595 1.011 -5.346 1.00 32.64 O
ATOM 345 ND2 ASN A 105 13.971 3.288 -5.364 1.00 29.81 N
ATOM 346 N ASN A 106 15.063 -0.274 -3.538 1.00 20.70 N
ATOM 347 CA ASN A 106 14.794 -0.629 -2.155 1.00 20.84 C
ATOM 348 C ASN A 106 15.358 -1.995 -1.726 1.00 20.52 C
ATOM 349 O ASN A 106 15.885 -2.118 -0.622 1.00 20.53 O
ATOM 350 CB ASN A 106 13.290 -0.545 -1.887 1.00 21.15 C
ATOM 351 CG ASN A 106 12.752 0.913 -1.916 1.00 24.09 C
ATOM 352 OD1 ASN A 106 13.440 1.837 -1.547 1.00 23.32 O
ATOM 353 ND2 ASN A 106 11.486 1.071 -2.289 1.00 23.69 N
ATOM 354 N MET A 107 15.246 -2.999 -2.597 1.00 20.23 N
ATOM 355 CA MET A 107 15.873 -4.309 -2.328 1.00 20.98 C
ATOM 356 C MET A 107 17.404 -4.175 -2.138 1.00 20.28 C
ATOM 357 O MET A 107 17.987 -4.790 -1.235 1.00 21.01 O
ATOM 358 CB MET A 107 15.545 -5.283 -3.427 1.00 20.50 C
ATOM 359 CG MET A 107 14.042 -5.674 -3.383 1.00 24.07 C
ATOM 360 SD MET A 107 13.692 -6.758 -4.757 1.00 30.74 S
ATOM 361 CE MET A 107 13.637 -8.353 -3.981 1.00 25.93 C
ATOM 362 N GLY A 108 18.015 -3.406 -3.030 1.00 19.46 N
ATOM 363 CA GLY A 108 19.456 -3.222 -3.045 1.00 19.32 C
ATOM 364 C GLY A 108 19.951 -2.537 -1.778 1.00 20.37 C
ATOM 365 O GLY A 108 20.954 -2.956 -1.191 1.00 20.25 O
ATOM 366 N GLU A 109 19.222 -1.511 -1.343 1.00 20.26 N
ATOM 367 CA GLU A 109 19.627 -0.787 -0.140 1.00 20.79 C
ATOM 368 C GLU A 109 19.335 -1.610 1.127 1.00 20.87 C
ATOM 369 O GLU A 109 20.077 -1.527 2.092 1.00 22.32 O
ATOM 370 CB GLU A 109 18.984 0.598 -0.092 1.00 22.33 C
ATOM 371 CG GLU A 109 19.404 1.456 1.138 1.00 22.23 C
ATOM 372 CD GLU A 109 20.826 1.979 1.036 1.00 30.24 C
ATOM 373 OE1 GLU A 109 21.186 2.838 1.869 1.00 31.74 O
ATOM 374 OE2 GLU A 109 21.612 1.542 0.144 1.00 31.09 O
ATOM 375 N PHE A 110 18.252 -2.372 1.139 1.00 20.79 N
ATOM 376 CA PHE A 110 18.022 -3.347 2.218 1.00 20.48 C
ATOM 377 C PHE A 110 19.232 -4.308 2.385 1.00 20.64 C
ATOM 378 O PHE A 110 19.718 -4.493 3.480 1.00 21.43 O
ATOM 379 CB PHE A 110 16.735 -4.124 1.897 1.00 20.08 C
ATOM 380 CG PHE A 110 16.418 -5.253 2.874 1.00 19.59 C
ATOM 381 CD1 PHE A 110 15.882 -4.977 4.135 1.00 24.63 C
ATOM 382 CD2 PHE A 110 16.642 -6.577 2.505 1.00 21.73 C
ATOM 383 CE1 PHE A 110 15.577 -6.051 5.021 1.00 23.87 C
ATOM 384 CE2 PHE A 110 16.339 -7.675 3.357 1.00 21.84 C
ATOM 385 CZ PHE A 110 15.805 -7.401 4.620 1.00 22.23 C
ATOM 386 N LEU A 111 19.680 -4.924 1.288 1.00 19.90 N
ATOM 387 CA LEU A 111 20.829 -5.825 1.294 1.00 21.32 C
ATOM 388 C LEU A 111 22.081 -5.077 1.756 1.00 22.09 C
ATOM 389 O LEU A 111 22.908 -5.628 2.494 1.00 22.46 O
ATOM 390 CB LEU A 111 21.086 -6.325 -0.126 1.00 20.41 C
ATOM 391 CG LEU A 111 20.061 -7.321 -0.709 1.00 21.79 C
ATOM 392 CD1 LEU A 111 20.485 -7.777 -2.093 1.00 23.06 C
ATOM 393 CD2 LEU A 111 19.816 -8.562 0.216 1.00 22.98 C
ATOM 394 N ALA A 112 22.224 -3.835 1.279 1.00 20.62 N
ATOM 395 CA ALA A 112 23.363 -2.987 1.686 1.00 21.09 C
ATOM 396 C ALA A 112 23.461 -2.770 3.199 1.00 21.76 C
ATOM 397 O ALA A 112 24.565 -2.942 3.781 1.00 22.69 O
ATOM 398 CB ALA A 112 23.341 -1.661 0.936 1.00 20.57 C
ATOM 399 N ILE A 113 22.325 -2.423 3.825 1.00 20.13 N
ATOM 400 CA ILE A 113 22.279 -2.206 5.281 1.00 21.88 C
ATOM 401 C ILE A 113 22.593 -3.526 6.007 1.00 21.65 C
ATOM 402 O ILE A 113 23.404 -3.554 6.960 1.00 22.42 O
ATOM 403 CB ILE A 113 20.963 -1.649 5.749 1.00 21.01 C
ATOM 404 CG1 ILE A 113 20.718 -0.231 5.186 1.00 21.49 C
ATOM 405 CG2 ILE A 113 20.915 -1.695 7.334 1.00 21.43 C
ATOM 406 CD1 ILE A 113 19.368 0.292 5.488 1.00 24.36 C
ATOM 407 N VAL A 114 21.985 -4.624 5.573 1.00 21.46 N
ATOM 408 CA VAL A 114 22.237 -5.916 6.241 1.00 22.81 C
ATOM 409 C VAL A 114 23.714 -6.331 6.044 1.00 23.46 C
ATOM 410 O VAL A 114 24.350 -6.803 6.999 1.00 25.32 O
ATOM 411 CB VAL A 114 21.251 -7.045 5.780 1.00 21.81 C
ATOM 412 CG1 VAL A 114 21.606 -8.383 6.474 1.00 22.98 C
ATOM 413 CG2 VAL A 114 19.786 -6.675 6.074 1.00 21.35 C
ATOM 414 N HIS A 115 24.281 -6.123 4.854 1.00 24.87 N
ATOM 415 CA HIS A 115 25.708 -6.405 4.611 1.00 26.49 C
ATOM 416 C HIS A 115 26.571 -5.579 5.575 1.00 27.17 C
ATOM 417 O HIS A 115 27.505 -6.114 6.201 1.00 26.95 O
ATOM 418 CB HIS A 115 26.087 -6.102 3.142 1.00 26.79 C
ATOM 419 CG HIS A 115 27.463 -6.575 2.749 1.00 29.95 C
ATOM 420 ND1 HIS A 115 27.710 -7.187 1.543 1.00 31.37 N
ATOM 421 CD2 HIS A 115 28.653 -6.532 3.397 1.00 32.44 C
ATOM 422 CE1 HIS A 115 28.995 -7.506 1.461 1.00 35.00 C
ATOM 423 NE2 HIS A 115 29.589 -7.128 2.579 1.00 31.53 N
ATOM 424 N GLY A 116 26.218 -4.294 5.714 1.00 27.03 N
ATOM 425 CA GLY A 116 26.796 -3.387 6.701 1.00 27.67 C
ATOM 426 C GLY A 116 26.741 -3.887 8.132 1.00 28.21 C
ATOM 427 O GLY A 116 27.736 -3.810 8.861 1.00 28.75 O
ATOM 428 N LEU A 117 25.570 -4.354 8.544 1.00 27.64 N
ATOM 429 CA LEU A 117 25.385 -4.929 9.907 1.00 29.39 C
ATOM 430 C LEU A 117 26.309 -6.110 10.134 1.00 30.23 C
ATOM 431 O LEU A 117 26.905 -6.283 11.237 1.00 30.23 O
ATOM 432 CB LEU A 117 23.963 -5.421 10.018 1.00 29.03 C
ATOM 433 CG LEU A 117 22.901 -4.645 10.796 1.00 31.14 C
ATOM 434 CD1 LEU A 117 23.239 -3.234 11.340 1.00 29.78 C
ATOM 435 CD2 LEU A 117 21.557 -4.742 10.195 1.00 24.89 C
ATOM 436 N ARG A 118 26.413 -6.946 9.113 1.00 28.97 N
ATOM 437 CA ARG A 118 27.232 -8.155 9.243 1.00 30.81 C
ATOM 438 C ARG A 118 28.719 -7.812 9.282 1.00 32.12 C
ATOM 439 O ARG A 118 29.506 -8.423 10.032 1.00 31.30 O
ATOM 440 CB ARG A 118 26.905 -9.111 8.102 1.00 29.47 C
ATOM 441 CG ARG A 118 25.440 -9.552 8.157 1.00 29.70 C
ATOM 442 CD ARG A 118 25.074 -10.515 7.034 1.00 31.07 C
ATOM 443 NE ARG A 118 25.778 -11.797 7.139 1.00 33.86 N
ATOM 444 CZ ARG A 118 25.492 -12.888 6.423 1.00 36.17 C
ATOM 445 NH1 ARG A 118 24.509 -12.888 5.520 1.00 36.49 N
ATOM 446 NH2 ARG A 118 26.193 -13.996 6.608 1.00 37.70 N
ATOM 447 N TYR A 119 29.098 -6.851 8.447 1.00 32.27 N
ATOM 448 CA TYR A 119 30.490 -6.386 8.341 1.00 33.79 C
ATOM 449 C TYR A 119 30.979 -5.745 9.651 1.00 34.26 C
ATOM 450 O TYR A 119 32.134 -5.972 10.067 1.00 35.61 O
ATOM 451 CB TYR A 119 30.569 -5.382 7.174 1.00 33.63 C
ATOM 452 CG TYR A 119 31.868 -4.621 7.086 1.00 34.21 C
ATOM 453 CD1 TYR A 119 32.881 -5.051 6.239 1.00 34.27 C
ATOM 454 CD2 TYR A 119 32.077 -3.479 7.848 1.00 34.50 C
ATOM 455 CE1 TYR A 119 34.093 -4.353 6.147 1.00 35.39 C
ATOM 456 CE2 TYR A 119 33.297 -2.766 7.758 1.00 37.70 C
ATOM 457 CZ TYR A 119 34.286 -3.214 6.901 1.00 37.47 C
ATOM 458 OH TYR A 119 35.490 -2.521 6.820 1.00 38.40 O
ATOM 459 N LEU A 120 30.099 -4.987 10.311 1.00 33.20 N
ATOM 460 CA LEU A 120 30.424 -4.302 11.554 1.00 33.83 C
ATOM 461 C LEU A 120 30.416 -5.260 12.733 1.00 35.27 C
ATOM 462 O LEU A 120 31.267 -5.160 13.613 1.00 35.45 O
ATOM 463 CB LEU A 120 29.458 -3.167 11.820 1.00 34.16 C
ATOM 464 CG LEU A 120 29.604 -2.023 10.807 1.00 30.82 C
ATOM 465 CD1 LEU A 120 28.543 -0.998 11.103 1.00 33.96 C
ATOM 466 CD2 LEU A 120 31.018 -1.400 10.854 1.00 34.12 C
ATOM 467 N LYS A 121 29.468 -6.185 12.720 1.00 35.53 N
ATOM 468 CA LYS A 121 29.317 -7.158 13.809 1.00 37.84 C
ATOM 469 C LYS A 121 30.516 -8.072 13.890 1.00 39.22 C
ATOM 470 O LYS A 121 30.969 -8.415 14.995 1.00 40.56 O
ATOM 471 CB LYS A 121 28.054 -7.993 13.625 1.00 36.83 C
ATOM 472 CG LYS A 121 27.970 -9.155 14.606 1.00 37.62 C
ATOM 473 CD LYS A 121 26.642 -9.799 14.622 1.00 39.06 C
ATOM 474 CE LYS A 121 26.799 -11.210 15.137 1.00 44.20 C
ATOM 475 NZ LYS A 121 25.903 -11.402 16.299 1.00 44.96 N
ATOM 476 N GLU A 122 31.034 -8.494 12.748 1.00 39.84 N
ATOM 477 CA GLU A 122 32.140 -9.417 12.802 1.00 42.48 C
ATOM 478 C GLU A 122 33.473 -8.732 13.128 1.00 42.95 C
ATOM 479 O GLU A 122 34.417 -9.391 13.514 1.00 43.45 O
ATOM 480 CB GLU A 122 32.180 -10.318 11.557 1.00 43.07 C
ATOM 481 CG GLU A 122 32.749 -9.725 10.309 1.00 45.90 C
ATOM 482 CD GLU A 122 32.473 -10.616 9.103 1.00 50.98 C
ATOM 483 OE1 GLU A 122 32.815 -11.822 9.150 1.00 54.53 O
ATOM 484 OE2 GLU A 122 31.901 -10.120 8.112 1.00 52.98 O
ATOM 485 N ARG A 123 33.509 -7.403 13.014 1.00 43.77 N
ATOM 486 CA ARG A 123 34.672 -6.587 13.368 1.00 44.10 C
ATOM 487 C ARG A 123 34.471 -5.900 14.718 1.00 43.94 C
ATOM 488 O ARG A 123 35.203 -4.963 15.072 1.00 44.58 O
ATOM 489 CB ARG A 123 34.915 -5.528 12.281 1.00 44.62 C
ATOM 490 CG ARG A 123 35.657 -6.055 11.061 1.00 45.30 C
ATOM 491 CD ARG A 123 35.434 -5.179 9.818 1.00 45.60 C
ATOM 492 NE ARG A 123 35.905 -5.876 8.613 1.00 47.20 N
ATOM 493 CZ ARG A 123 35.270 -6.894 8.026 1.00 48.26 C
ATOM 494 NH1 ARG A 123 34.106 -7.328 8.498 1.00 48.49 N
ATOM 495 NH2 ARG A 123 35.782 -7.466 6.939 1.00 48.11 N
ATOM 496 N ASN A 124 33.455 -6.325 15.459 1.00 43.23 N
ATOM 497 CA ASN A 124 33.199 -5.773 16.779 1.00 43.13 C
ATOM 498 C ASN A 124 33.126 -4.250 16.841 1.00 43.29 C
ATOM 499 O ASN A 124 33.538 -3.633 17.842 1.00 43.05 O
ATOM 500 CB ASN A 124 34.255 -6.289 17.758 1.00 43.74 C
ATOM 501 CG ASN A 124 34.050 -7.738 18.084 1.00 43.94 C
ATOM 502 OD1 ASN A 124 33.002 -8.123 18.623 1.00 46.04 O
ATOM 503 ND2 ASN A 124 35.029 -8.561 17.742 1.00 45.71 N
ATOM 504 N SER A 125 32.589 -3.641 15.782 1.00 42.38 N
ATOM 505 CA SER A 125 32.546 -2.194 15.707 1.00 41.96 C
ATOM 506 C SER A 125 31.313 -1.648 16.377 1.00 41.82 C
ATOM 507 O SER A 125 30.230 -2.249 16.307 1.00 41.51 O
ATOM 508 CB SER A 125 32.626 -1.708 14.263 1.00 41.97 C
ATOM 509 OG SER A 125 32.444 -0.296 14.235 1.00 42.44 O
ATOM 510 N ARG A 126 31.494 -0.513 17.058 1.00 42.02 N
ATOM 511 CA ARG A 126 30.381 0.237 17.626 1.00 42.68 C
ATOM 512 C ARG A 126 29.837 1.246 16.618 1.00 41.30 C
ATOM 513 O ARG A 126 28.901 1.956 16.927 1.00 41.81 O
ATOM 514 CB ARG A 126 30.817 1.024 18.877 1.00 43.79 C
ATOM 515 CG ARG A 126 30.357 0.434 20.181 1.00 48.15 C
ATOM 516 CD ARG A 126 31.136 -0.812 20.455 1.00 52.21 C
ATOM 517 NE ARG A 126 31.206 -1.123 21.882 1.00 56.60 N
ATOM 518 CZ ARG A 126 31.444 -2.344 22.346 1.00 58.08 C
ATOM 519 NH1 ARG A 126 31.502 -2.566 23.655 1.00 60.26 N
ATOM 520 NH2 ARG A 126 31.610 -3.351 21.490 1.00 59.93 N
ATOM 521 N LYS A 127 30.455 1.315 15.447 1.00 40.59 N
ATOM 522 CA LYS A 127 30.092 2.344 14.435 1.00 40.14 C
ATOM 523 C LYS A 127 28.612 2.273 14.020 1.00 38.10 C
ATOM 524 O LYS A 127 28.027 1.174 13.952 1.00 38.88 O
ATOM 525 CB LYS A 127 31.014 2.262 13.215 1.00 40.50 C
ATOM 526 CG LYS A 127 32.400 2.892 13.443 1.00 43.31 C
ATOM 527 CD LYS A 127 33.325 2.636 12.277 1.00 45.73 C
ATOM 528 CE LYS A 127 34.730 3.079 12.622 1.00 48.71 C
ATOM 529 NZ LYS A 127 35.545 3.306 11.404 1.00 50.19 N
ATOM 530 N PRO A 128 27.971 3.446 13.807 1.00 36.38 N
ATOM 531 CA PRO A 128 26.626 3.380 13.266 1.00 34.34 C
ATOM 532 C PRO A 128 26.697 3.272 11.732 1.00 32.15 C
ATOM 533 O PRO A 128 27.795 3.407 11.118 1.00 32.85 O
ATOM 534 CB PRO A 128 25.991 4.719 13.670 1.00 35.20 C
ATOM 535 CG PRO A 128 27.127 5.641 13.944 1.00 35.97 C
ATOM 536 CD PRO A 128 28.394 4.819 14.117 1.00 34.95 C
ATOM 537 N ILE A 129 25.538 2.976 11.157 1.00 30.94 N
ATOM 538 CA ILE A 129 25.311 2.968 9.704 1.00 29.21 C
ATOM 539 C ILE A 129 24.348 4.074 9.352 1.00 27.59 C
ATOM 540 O ILE A 129 23.289 4.248 9.988 1.00 27.39 O
ATOM 541 CB ILE A 129 24.743 1.598 9.180 1.00 31.21 C
ATOM 542 CG1 ILE A 129 25.793 0.524 9.328 1.00 30.55 C
ATOM 543 CG2 ILE A 129 24.288 1.725 7.648 1.00 27.52 C
ATOM 544 CD1 ILE A 129 25.250 -0.907 9.263 1.00 32.30 C
ATOM 545 N TYR A 130 24.716 4.838 8.327 1.00 25.49 N
ATOM 546 CA TYR A 130 23.800 5.807 7.721 1.00 25.42 C
ATOM 547 C TYR A 130 23.259 5.288 6.388 1.00 24.86 C
ATOM 548 O TYR A 130 24.002 4.696 5.633 1.00 23.69 O
ATOM 549 CB TYR A 130 24.530 7.085 7.420 1.00 24.30 C
ATOM 550 CG TYR A 130 24.695 7.992 8.625 1.00 26.44 C
ATOM 551 CD1 TYR A 130 25.925 8.105 9.248 1.00 28.02 C
ATOM 552 CD2 TYR A 130 23.620 8.736 9.125 1.00 29.98 C
ATOM 553 CE1 TYR A 130 26.099 8.947 10.344 1.00 30.72 C
ATOM 554 CE2 TYR A 130 23.796 9.608 10.238 1.00 29.06 C
ATOM 555 CZ TYR A 130 25.037 9.674 10.836 1.00 33.13 C
ATOM 556 OH TYR A 130 25.242 10.509 11.919 1.00 35.22 O
ATOM 557 N SER A 131 21.962 5.487 6.190 1.00 24.69 N
ATOM 558 CA SER A 131 21.267 5.263 4.922 1.00 24.15 C
ATOM 559 C SER A 131 20.368 6.447 4.667 1.00 23.03 C