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3htb.pdb
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3htb.pdb
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HEADER HYDROLASE 11-JUN-09 3HTB
TITLE 2-PROPYLPHENOL IN COMPLEX WITH T4 LYSOZYME L99A/M102Q
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LYSOZYME;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: LYSIS PROTEIN, MURAMIDASE, ENDOLYSIN;
COMPND 5 EC: 3.2.1.17;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4;
SOURCE 3 ORGANISM_COMMON: BACTERIOPHAGE T4;
SOURCE 4 ORGANISM_TAXID: 10665;
SOURCE 5 STRAIN: ENTEROBACTERIA PHAGE T4 SENSU LATO;
SOURCE 6 GENE: E;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: M13
KEYWDS HYDROLASE, GLYCOSIDASE, BACTERIOLYTIC ENZYME, ANTIMICROBIAL
EXPDTA X-RAY DIFFRACTION
AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL,B.K.SHOICHET
REVDAT 3 13-OCT-21 3HTB 1 REMARK SEQADV
REVDAT 2 22-DEC-09 3HTB 1 JRNL
REVDAT 1 03-NOV-09 3HTB 0
JRNL AUTH S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL,
JRNL AUTH 2 B.K.SHOICHET
JRNL TITL PREDICTING LIGAND BINDING AFFINITY WITH ALCHEMICAL FREE
JRNL TITL 2 ENERGY METHODS IN A POLAR MODEL BINDING SITE.
JRNL REF J.MOL.BIOL. V. 394 747 2009
JRNL REFN ISSN 0022-2836
JRNL PMID 19782087
JRNL DOI 10.1016/J.JMB.2009.09.049
REMARK 2
REMARK 2 RESOLUTION. 1.81 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5.2.0019
REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,
REMARK 3 : NICHOLLS,WINN,LONG,VAGIN
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.81
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.63
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 COMPLETENESS FOR RANGE (%) : 95.1
REMARK 3 NUMBER OF REFLECTIONS : 17605
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 + TEST SET) : 0.198
REMARK 3 R VALUE (WORKING SET) : 0.197
REMARK 3 FREE R VALUE : 0.245
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.000
REMARK 3 FREE R VALUE TEST SET COUNT : 359
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) : 1.81
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.86
REMARK 3 REFLECTION IN BIN (WORKING SET) : 1358
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0
REMARK 3 BIN R VALUE (WORKING SET) : 0.2740
REMARK 3 BIN FREE R VALUE SET COUNT : 27
REMARK 3 BIN FREE R VALUE : 0.3890
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1300
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 24
REMARK 3 SOLVENT ATOMS : 220
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.44
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 0.08000
REMARK 3 B22 (A**2) : 0.08000
REMARK 3 B33 (A**2) : -0.13000
REMARK 3 B12 (A**2) : 0.04000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.139
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.137
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.115
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.962
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.936
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.902
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1416 ; 0.024 ; 0.022
REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1918 ; 1.966 ; 1.964
REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 181 ; 6.290 ; 5.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 72 ;34.449 ;23.333
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 266 ;13.427 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;16.649 ;15.000
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 207 ; 0.144 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1075 ; 0.010 ; 0.020
REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 832 ; 0.219 ; 0.200
REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 968 ; 0.313 ; 0.200
REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL
REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 211 ; 0.184 ; 0.200
REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 41 ; 0.193 ; 0.200
REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 21 ; 0.155 ; 0.200
REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 867 ; 1.242 ; 1.500
REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1351 ; 1.686 ; 2.000
REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 636 ; 3.024 ; 3.000
REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 557 ; 4.175 ; 4.500
REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3
REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL
REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : MASK
REMARK 3 PARAMETERS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS : 1.20
REMARK 3 ION PROBE RADIUS : 0.80
REMARK 3 SHRINKAGE RADIUS : 0.80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING
REMARK 3 POSITIONS
REMARK 4
REMARK 4 3HTB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUN-09.
REMARK 100 THE DEPOSITION ID IS D_1000053557.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 01-JUL-08
REMARK 200 TEMPERATURE (KELVIN) : 296
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ALS
REMARK 200 BEAMLINE : 8.3.1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.11589
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200 DATA SCALING SOFTWARE : XSCALE, XDS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17966
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.810
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 95.1
REMARK 200 DATA REDUNDANCY : 8.430
REMARK 200 R MERGE (I) : 0.06500
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 22.4800
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.81
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 8.96
REMARK 200 R MERGE FOR SHELL (I) : 0.32300
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 5.600
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: REFMAC
REMARK 200 SOFTWARE USED: REFMAC
REMARK 200 STARTING MODEL: PDB ENTRY 1LGU
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 54.24
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.69
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 2.2M SODIUM-POTASSIUM PHOSPHATE, 0.05M
REMARK 280 BETA-MERCAPTOETHANOL, 0.05M 2-HYDROXYETHYLDISULFIDE, PH 6.5,
REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z+2/3
REMARK 290 3555 -X+Y,-X,Z+1/3
REMARK 290 4555 Y,X,-Z
REMARK 290 5555 X-Y,-Y,-Z+1/3
REMARK 290 6555 -X,-X+Y,-Z+2/3
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 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 64.40667
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.20333
REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.20333
REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 64.40667
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 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 LEU A 164
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O HOH A 169 O HOH A 171 1.94
REMARK 500 O HOH A 169 O HOH A 170 2.00
REMARK 500 OD2 ASP A 144 O HOH A 204 2.17
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 ILE A 29 73.04 -102.59
REMARK 500 PHE A 114 53.59 -67.63
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 165
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 166
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JZ4 A 167
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LGU RELATED DB: PDB
REMARK 900 RELATED ID: 3HT6 RELATED DB: PDB
REMARK 900 RELATED ID: 3HT7 RELATED DB: PDB
REMARK 900 RELATED ID: 3HT8 RELATED DB: PDB
REMARK 900 RELATED ID: 3HT9 RELATED DB: PDB
REMARK 900 RELATED ID: 3HTD RELATED DB: PDB
REMARK 900 RELATED ID: 3HTF RELATED DB: PDB
REMARK 900 RELATED ID: 3HTG RELATED DB: PDB
REMARK 900 RELATED ID: 3HU8 RELATED DB: PDB
REMARK 900 RELATED ID: 3HU9 RELATED DB: PDB
REMARK 900 RELATED ID: 3HUA RELATED DB: PDB
REMARK 900 RELATED ID: 3HUK RELATED DB: PDB
REMARK 900 RELATED ID: 3HUQ RELATED DB: PDB
DBREF 3HTB A 1 164 UNP P00720 LYS_BPT4 1 164
SEQADV 3HTB ASP A 38 UNP P00720 SER 38 ENGINEERED MUTATION
SEQADV 3HTB ALA A 99 UNP P00720 LEU 99 ENGINEERED MUTATION
SEQADV 3HTB GLN A 102 UNP P00720 MET 102 ENGINEERED MUTATION
SEQADV 3HTB ASP A 144 UNP P00720 ASN 144 ENGINEERED MUTATION
SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU
SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR
SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO ASP LEU
SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG
SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS
SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE
SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU
SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA ALA ILE ASN GLN VAL PHE
SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER
SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA
SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO
SEQRES 12 A 164 ASP ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY
SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU
HET PO4 A 165 5
HET PO4 A 166 5
HET JZ4 A 167 10
HET BME A 168 4
HETNAM PO4 PHOSPHATE ION
HETNAM JZ4 2-PROPYLPHENOL
HETNAM BME BETA-MERCAPTOETHANOL
FORMUL 2 PO4 2(O4 P 3-)
FORMUL 4 JZ4 C9 H12 O
FORMUL 5 BME C2 H6 O S
FORMUL 6 HOH *220(H2 O)
HELIX 1 1 ASN A 2 GLY A 12 1 11
HELIX 2 2 ASP A 38 GLY A 51 1 14
HELIX 3 3 THR A 59 ASN A 81 1 23
HELIX 4 4 LEU A 84 LEU A 91 1 8
HELIX 5 5 ASP A 92 GLY A 113 1 22
HELIX 6 6 PHE A 114 GLN A 123 1 10
HELIX 7 7 ARG A 125 LYS A 135 1 11
HELIX 8 8 SER A 136 THR A 142 1 7
HELIX 9 9 THR A 142 GLY A 156 1 15
HELIX 10 10 TRP A 158 LYS A 162 5 5
SHEET 1 A 3 ARG A 14 LYS A 19 0
SHEET 2 A 3 TYR A 25 GLY A 28 -1 O THR A 26 N TYR A 18
SHEET 3 A 3 HIS A 31 THR A 34 -1 O LEU A 33 N TYR A 25
CISPEP 1 LYS A 162 ASN A 163 0 -10.12
SITE 1 AC1 9 ARG A 14 LYS A 19 ARG A 125 TRP A 126
SITE 2 AC1 9 ASP A 127 GLU A 128 HOH A 296 HOH A 310
SITE 3 AC1 9 HOH A 379
SITE 1 AC2 3 ARG A 14 LEU A 15 LYS A 16
SITE 1 AC3 9 ALA A 99 GLN A 102 VAL A 103 VAL A 111
SITE 2 AC3 9 PHE A 114 LEU A 118 LEU A 121 LEU A 133
SITE 3 AC3 9 PHE A 153
CRYST1 59.950 59.950 96.610 90.00 90.00 120.00 P 32 2 1 6
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 0.016681 0.009631 0.000000 0.00000
SCALE2 0.000000 0.019261 0.000000 0.00000
SCALE3 0.000000 0.000000 0.010351 0.00000
ATOM 1 N MET A 1 5.561 -15.963 -8.933 1.00 16.19 N
ATOM 2 CA AMET A 1 7.044 -15.926 -8.982 0.50 15.51 C
ATOM 3 CA BMET A 1 7.052 -15.985 -8.910 0.50 15.98 C
ATOM 4 C MET A 1 7.565 -17.233 -9.569 1.00 15.36 C
ATOM 5 O MET A 1 6.935 -18.292 -9.473 1.00 14.94 O
ATOM 6 CB AMET A 1 7.633 -15.614 -7.579 0.50 15.40 C
ATOM 7 CB BMET A 1 7.591 -15.959 -7.473 0.50 16.50 C
ATOM 8 CG AMET A 1 9.121 -15.214 -7.502 0.50 15.40 C
ATOM 9 CG BMET A 1 7.587 -14.631 -6.772 0.50 17.53 C
ATOM 10 SD AMET A 1 9.709 -13.669 -8.227 0.50 14.04 S
ATOM 11 SD BMET A 1 8.595 -13.375 -7.571 0.50 24.67 S
ATOM 12 CE AMET A 1 8.304 -12.536 -8.057 0.50 10.74 C
ATOM 13 CE BMET A 1 10.121 -14.299 -7.810 0.50 22.50 C
ATOM 14 N ASN A 2 8.696 -17.109 -10.221 1.00 13.04 N
ATOM 15 CA ASN A 2 9.444 -18.214 -10.830 1.00 11.28 C
ATOM 16 C ASN A 2 10.923 -17.749 -10.851 1.00 11.13 C
ATOM 17 O ASN A 2 11.262 -16.586 -10.453 1.00 8.10 O
ATOM 18 CB ASN A 2 8.903 -18.572 -12.242 1.00 11.33 C
ATOM 19 CG ASN A 2 8.979 -17.384 -13.226 1.00 13.64 C
ATOM 20 OD1 ASN A 2 10.036 -16.854 -13.455 1.00 9.75 O
ATOM 21 ND2 ASN A 2 7.826 -16.975 -13.804 1.00 12.13 N
ATOM 22 N ILE A 3 11.803 -18.653 -11.255 1.00 9.44 N
ATOM 23 CA ILE A 3 13.215 -18.370 -11.247 1.00 9.32 C
ATOM 24 C ILE A 3 13.649 -17.195 -12.132 1.00 7.70 C
ATOM 25 O ILE A 3 14.597 -16.489 -11.782 1.00 9.80 O
ATOM 26 CB ILE A 3 14.010 -19.669 -11.653 1.00 9.07 C
ATOM 27 CG1 ILE A 3 15.522 -19.542 -11.375 1.00 8.89 C
ATOM 28 CG2 ILE A 3 13.701 -20.044 -13.127 1.00 9.00 C
ATOM 29 CD1 ILE A 3 16.021 -18.938 -10.040 1.00 10.83 C
ATOM 30 N PHE A 4 12.976 -16.982 -13.265 1.00 8.60 N
ATOM 31 CA PHE A 4 13.313 -15.827 -14.061 1.00 8.69 C
ATOM 32 C PHE A 4 12.939 -14.559 -13.370 1.00 9.89 C
ATOM 33 O PHE A 4 13.695 -13.598 -13.393 1.00 9.06 O
ATOM 34 CB PHE A 4 12.680 -15.895 -15.481 1.00 8.95 C
ATOM 35 CG PHE A 4 13.207 -17.104 -16.277 1.00 11.87 C
ATOM 36 CD1 PHE A 4 12.684 -18.381 -16.087 1.00 12.45 C
ATOM 37 CD2 PHE A 4 14.252 -16.959 -17.165 1.00 10.91 C
ATOM 38 CE1 PHE A 4 13.203 -19.507 -16.757 1.00 10.97 C
ATOM 39 CE2 PHE A 4 14.737 -18.073 -17.875 1.00 13.68 C
ATOM 40 CZ PHE A 4 14.194 -19.334 -17.662 1.00 13.03 C
ATOM 41 N GLU A 5 11.735 -14.528 -12.804 1.00 9.90 N
ATOM 42 CA GLU A 5 11.306 -13.288 -12.184 1.00 10.93 C
ATOM 43 C GLU A 5 12.211 -12.996 -10.954 1.00 9.58 C
ATOM 44 O GLU A 5 12.515 -11.866 -10.632 1.00 9.92 O
ATOM 45 CB GLU A 5 9.901 -13.444 -11.758 1.00 9.58 C
ATOM 46 CG GLU A 5 8.948 -13.592 -12.964 1.00 15.91 C
ATOM 47 CD GLU A 5 7.492 -13.611 -12.523 1.00 20.54 C
ATOM 48 OE1 GLU A 5 7.233 -13.319 -11.345 1.00 25.87 O
ATOM 49 OE2 GLU A 5 6.590 -13.885 -13.346 1.00 24.46 O
ATOM 50 N MET A 6 12.558 -14.075 -10.256 1.00 10.80 N
ATOM 51 CA MET A 6 13.414 -13.998 -9.100 1.00 11.41 C
ATOM 52 C MET A 6 14.747 -13.416 -9.466 1.00 9.30 C
ATOM 53 O MET A 6 15.191 -12.450 -8.826 1.00 12.93 O
ATOM 54 CB MET A 6 13.592 -15.388 -8.488 1.00 10.41 C
ATOM 55 CG MET A 6 14.245 -15.365 -7.093 1.00 12.68 C
ATOM 56 SD MET A 6 14.896 -16.987 -6.864 1.00 11.50 S
ATOM 57 CE MET A 6 15.143 -17.019 -5.053 1.00 14.29 C
ATOM 58 N LEU A 7 15.419 -14.013 -10.450 1.00 9.60 N
ATOM 59 CA LEU A 7 16.760 -13.572 -10.840 1.00 9.70 C
ATOM 60 C LEU A 7 16.725 -12.198 -11.446 1.00 10.08 C
ATOM 61 O LEU A 7 17.663 -11.405 -11.248 1.00 10.17 O
ATOM 62 CB LEU A 7 17.456 -14.566 -11.767 1.00 9.47 C
ATOM 63 CG LEU A 7 18.050 -15.641 -10.882 1.00 9.83 C
ATOM 64 CD1 LEU A 7 18.407 -16.854 -11.660 1.00 11.30 C
ATOM 65 CD2 LEU A 7 19.263 -15.036 -10.178 1.00 7.37 C
ATOM 66 N ARG A 8 15.623 -11.872 -12.125 1.00 10.56 N
ATOM 67 CA ARG A 8 15.486 -10.533 -12.730 1.00 10.46 C
ATOM 68 C ARG A 8 15.430 -9.437 -11.619 1.00 11.05 C
ATOM 69 O ARG A 8 15.999 -8.357 -11.787 1.00 11.99 O
ATOM 70 CB ARG A 8 14.207 -10.427 -13.573 1.00 9.24 C
ATOM 71 CG ARG A 8 13.842 -8.998 -13.962 1.00 8.95 C
ATOM 72 CD ARG A 8 14.682 -8.440 -15.117 1.00 10.45 C
ATOM 73 NE ARG A 8 14.315 -7.024 -15.407 1.00 17.11 N
ATOM 74 CZ ARG A 8 14.510 -5.992 -14.572 1.00 17.32 C
ATOM 75 NH1 ARG A 8 15.075 -6.150 -13.368 1.00 19.70 N
ATOM 76 NH2 ARG A 8 14.103 -4.781 -14.898 1.00 21.76 N
ATOM 77 N ILE A 9 14.727 -9.723 -10.513 1.00 10.05 N
ATOM 78 CA ILE A 9 14.736 -8.832 -9.354 1.00 11.98 C
ATOM 79 C ILE A 9 16.184 -8.699 -8.794 1.00 10.19 C
ATOM 80 O ILE A 9 16.685 -7.599 -8.621 1.00 11.01 O
ATOM 81 CB ILE A 9 13.745 -9.307 -8.310 1.00 11.81 C
ATOM 82 CG1 ILE A 9 12.295 -8.991 -8.792 1.00 11.16 C
ATOM 83 CG2 ILE A 9 14.127 -8.715 -6.901 1.00 13.13 C
ATOM 84 CD1 ILE A 9 11.180 -9.833 -8.105 1.00 11.02 C
ATOM 85 N ASP A 10 16.875 -9.822 -8.643 1.00 9.37 N
ATOM 86 CA ASP A 10 18.185 -9.878 -7.994 1.00 10.57 C
ATOM 87 C ASP A 10 19.311 -9.308 -8.857 1.00 10.86 C
ATOM 88 O ASP A 10 20.255 -8.693 -8.331 1.00 10.88 O
ATOM 89 CB ASP A 10 18.506 -11.300 -7.545 1.00 8.71 C
ATOM 90 CG ASP A 10 17.731 -11.697 -6.281 1.00 10.36 C
ATOM 91 OD1 ASP A 10 17.176 -10.813 -5.602 1.00 12.18 O
ATOM 92 OD2 ASP A 10 17.610 -12.911 -5.989 1.00 15.40 O
ATOM 93 N GLU A 11 19.154 -9.412 -10.175 1.00 10.35 N
ATOM 94 CA GLU A 11 20.297 -9.178 -11.071 1.00 9.98 C
ATOM 95 C GLU A 11 20.085 -7.849 -11.752 1.00 11.17 C
ATOM 96 O GLU A 11 21.027 -7.244 -12.149 1.00 10.89 O
ATOM 97 CB GLU A 11 20.423 -10.284 -12.090 1.00 11.45 C
ATOM 98 CG GLU A 11 20.983 -11.570 -11.540 1.00 8.72 C
ATOM 99 CD GLU A 11 22.331 -11.403 -10.856 1.00 14.34 C
ATOM 100 OE1 GLU A 11 22.997 -10.296 -10.924 1.00 19.80 O
ATOM 101 OE2 GLU A 11 22.765 -12.362 -10.191 1.00 13.76 O
ATOM 102 N GLY A 12 18.835 -7.395 -11.858 1.00 9.73 N
ATOM 103 CA GLY A 12 18.503 -6.196 -12.686 1.00 10.14 C
ATOM 104 C GLY A 12 18.558 -6.457 -14.191 1.00 9.64 C
ATOM 105 O GLY A 12 18.692 -7.612 -14.632 1.00 8.39 O
ATOM 106 N LEU A 13 18.315 -5.384 -14.951 1.00 10.95 N
ATOM 107 CA LEU A 13 18.476 -5.410 -16.395 1.00 10.93 C
ATOM 108 C LEU A 13 19.230 -4.158 -16.821 1.00 12.47 C
ATOM 109 O LEU A 13 18.764 -3.037 -16.638 1.00 10.09 O
ATOM 110 CB LEU A 13 17.121 -5.551 -17.094 1.00 10.84 C
ATOM 111 CG LEU A 13 17.051 -5.400 -18.622 1.00 13.98 C
ATOM 112 CD1 LEU A 13 17.887 -6.504 -19.296 1.00 14.85 C
ATOM 113 CD2 LEU A 13 15.573 -5.621 -18.963 1.00 20.16 C
ATOM 114 N ARG A 14 20.427 -4.347 -17.366 1.00 13.51 N
ATOM 115 CA ARG A 14 21.161 -3.231 -17.947 1.00 12.55 C
ATOM 116 C ARG A 14 21.624 -3.631 -19.343 1.00 13.91 C
ATOM 117 O ARG A 14 22.092 -4.770 -19.558 1.00 13.51 O
ATOM 118 CB ARG A 14 22.348 -2.865 -17.057 1.00 13.69 C
ATOM 119 CG ARG A 14 21.881 -2.627 -15.541 1.00 10.77 C
ATOM 120 CD ARG A 14 22.950 -2.031 -14.624 1.00 14.02 C
ATOM 121 NE ARG A 14 23.267 -0.711 -15.097 1.00 18.61 N
ATOM 122 CZ ARG A 14 24.231 0.041 -14.576 1.00 23.42 C
ATOM 123 NH1 ARG A 14 24.992 -0.441 -13.583 1.00 21.81 N
ATOM 124 NH2 ARG A 14 24.456 1.241 -15.079 1.00 24.97 N
ATOM 125 N LEU A 15 21.488 -2.704 -20.276 1.00 14.21 N
ATOM 126 CA LEU A 15 21.708 -3.028 -21.647 1.00 13.95 C
ATOM 127 C LEU A 15 23.062 -2.639 -22.085 1.00 15.21 C
ATOM 128 O LEU A 15 23.426 -3.007 -23.183 1.00 16.83 O
ATOM 129 CB LEU A 15 20.647 -2.401 -22.523 1.00 14.29 C
ATOM 130 CG LEU A 15 19.175 -2.813 -22.276 1.00 14.19 C
ATOM 131 CD1 LEU A 15 18.319 -2.230 -23.411 1.00 16.89 C
ATOM 132 CD2 LEU A 15 18.984 -4.289 -22.191 1.00 16.65 C
ATOM 133 N LYS A 16 23.837 -1.955 -21.239 1.00 13.81 N
ATOM 134 CA LYS A 16 25.207 -1.511 -21.600 1.00 14.34 C
ATOM 135 C LYS A 16 26.123 -2.220 -20.641 1.00 13.58 C
ATOM 136 O LYS A 16 25.731 -2.428 -19.477 1.00 15.63 O
ATOM 137 CB LYS A 16 25.445 -0.003 -21.420 1.00 13.23 C
ATOM 138 CG LYS A 16 24.695 0.873 -22.429 1.00 15.23 C
ATOM 139 CD LYS A 16 24.562 2.348 -21.919 1.00 18.50 C
ATOM 140 CE LYS A 16 24.042 3.253 -23.023 0.50 18.65 C
ATOM 141 NZ LYS A 16 23.452 4.494 -22.483 0.50 21.53 N
ATOM 142 N ILE A 17 27.336 -2.553 -21.085 1.00 14.54 N
ATOM 143 CA ILE A 17 28.286 -3.207 -20.207 1.00 12.07 C
ATOM 144 C ILE A 17 28.445 -2.430 -18.902 1.00 12.48 C
ATOM 145 O ILE A 17 28.560 -1.225 -18.904 1.00 11.54 O
ATOM 146 CB ILE A 17 29.634 -3.435 -20.873 1.00 12.95 C
ATOM 147 CG1 ILE A 17 29.493 -4.310 -22.144 1.00 8.75 C
ATOM 148 CG2 ILE A 17 30.696 -3.989 -19.862 1.00 12.45 C
ATOM 149 CD1 ILE A 17 30.848 -4.603 -22.812 1.00 12.23 C
ATOM 150 N TYR A 18 28.373 -3.145 -17.790 1.00 14.39 N
ATOM 151 CA TYR A 18 28.495 -2.515 -16.435 1.00 14.47 C
ATOM 152 C TYR A 18 29.363 -3.471 -15.607 1.00 11.71 C
ATOM 153 O TYR A 18 29.567 -4.613 -16.003 1.00 11.89 O
ATOM 154 CB TYR A 18 27.118 -2.287 -15.749 1.00 13.83 C
ATOM 155 CG TYR A 18 26.357 -3.552 -15.398 1.00 16.86 C
ATOM 156 CD1 TYR A 18 26.399 -4.107 -14.085 1.00 18.55 C
ATOM 157 CD2 TYR A 18 25.550 -4.229 -16.381 1.00 17.94 C
ATOM 158 CE1 TYR A 18 25.696 -5.338 -13.766 1.00 17.18 C
ATOM 159 CE2 TYR A 18 24.833 -5.419 -16.053 1.00 14.72 C
ATOM 160 CZ TYR A 18 24.891 -5.954 -14.728 1.00 19.33 C
ATOM 161 OH TYR A 18 24.153 -7.143 -14.446 1.00 17.43 O
ATOM 162 N LYS A 19 29.830 -2.990 -14.466 1.00 10.51 N
ATOM 163 CA LYS A 19 30.548 -3.762 -13.546 1.00 11.63 C
ATOM 164 C LYS A 19 29.558 -4.240 -12.469 1.00 10.87 C
ATOM 165 O LYS A 19 28.710 -3.454 -11.952 1.00 10.79 O
ATOM 166 CB LYS A 19 31.682 -2.988 -12.948 1.00 10.53 C
ATOM 167 CG LYS A 19 32.726 -2.643 -13.946 1.00 12.17 C
ATOM 168 CD LYS A 19 33.877 -2.083 -13.250 1.00 13.68 C
ATOM 169 CE LYS A 19 34.967 -1.539 -14.227 1.00 14.68 C
ATOM 170 NZ LYS A 19 35.970 -0.819 -13.352 1.00 14.18 N
ATOM 171 N ASP A 20 29.600 -5.541 -12.238 1.00 10.28 N
ATOM 172 CA ASP A 20 28.755 -6.178 -11.230 1.00 10.35 C
ATOM 173 C ASP A 20 29.298 -5.856 -9.825 1.00 11.13 C
ATOM 174 O ASP A 20 30.226 -5.065 -9.684 1.00 13.25 O
ATOM 175 CB ASP A 20 28.668 -7.714 -11.433 1.00 9.98 C
ATOM 176 CG ASP A 20 29.988 -8.465 -11.129 1.00 12.88 C
ATOM 177 OD1 ASP A 20 30.984 -7.917 -10.654 1.00 12.47 O
ATOM 178 OD2 ASP A 20 30.049 -9.702 -11.403 1.00 17.43 O
ATOM 179 N THR A 21 28.720 -6.477 -8.805 1.00 11.25 N
ATOM 180 CA ATHR A 21 29.009 -6.152 -7.390 0.50 11.50 C
ATOM 181 CA BTHR A 21 29.034 -6.058 -7.448 0.50 12.55 C
ATOM 182 C THR A 21 30.477 -6.421 -7.079 1.00 13.05 C
ATOM 183 O THR A 21 31.021 -5.897 -6.128 1.00 13.00 O
ATOM 184 CB ATHR A 21 28.137 -6.999 -6.443 0.50 11.96 C
ATOM 185 CB BTHR A 21 28.006 -6.598 -6.483 0.50 13.53 C
ATOM 186 OG1ATHR A 21 28.532 -8.367 -6.545 0.50 9.71 O
ATOM 187 OG1BTHR A 21 28.188 -5.969 -5.222 0.50 15.74 O
ATOM 188 CG2ATHR A 21 26.613 -6.864 -6.788 0.50 9.51 C
ATOM 189 CG2BTHR A 21 28.126 -8.101 -6.356 0.50 11.11 C
ATOM 190 N GLU A 22 31.092 -7.317 -7.862 1.00 13.35 N
ATOM 191 CA GLU A 22 32.490 -7.662 -7.724 1.00 12.75 C
ATOM 192 C GLU A 22 33.430 -6.817 -8.601 1.00 12.79 C
ATOM 193 O GLU A 22 34.654 -7.008 -8.550 1.00 14.56 O
ATOM 194 CB GLU A 22 32.706 -9.174 -7.929 1.00 14.64 C
ATOM 195 CG GLU A 22 32.057 -10.100 -6.954 1.00 15.63 C
ATOM 196 CD GLU A 22 32.687 -9.982 -5.568 1.00 24.42 C
ATOM 197 OE1 GLU A 22 33.939 -9.752 -5.413 1.00 27.57 O
ATOM 198 OE2 GLU A 22 31.927 -10.082 -4.603 1.00 25.73 O
ATOM 199 N GLY A 23 32.899 -5.860 -9.369 1.00 12.54 N
ATOM 200 CA GLY A 23 33.714 -5.054 -10.291 1.00 12.77 C
ATOM 201 C GLY A 23 33.925 -5.726 -11.631 1.00 13.27 C
ATOM 202 O GLY A 23 34.746 -5.261 -12.389 1.00 12.49 O
ATOM 203 N TYR A 24 33.188 -6.818 -11.934 1.00 12.52 N
ATOM 204 CA ATYR A 24 33.399 -7.500 -13.218 0.50 12.99 C
ATOM 205 CA BTYR A 24 33.342 -7.583 -13.178 0.50 13.06 C
ATOM 206 C TYR A 24 32.400 -7.159 -14.255 1.00 12.20 C
ATOM 207 O TYR A 24 31.233 -7.035 -13.968 1.00 12.55 O
ATOM 208 CB ATYR A 24 33.556 -9.021 -13.089 0.50 13.61 C
ATOM 209 CB BTYR A 24 33.041 -9.063 -12.949 0.50 13.86 C
ATOM 210 CG ATYR A 24 34.623 -9.343 -12.121 0.50 13.38 C
ATOM 211 CG BTYR A 24 33.927 -9.785 -11.988 0.50 13.37 C
ATOM 212 CD1ATYR A 24 35.916 -8.819 -12.279 0.50 11.36 C
ATOM 213 CD1BTYR A 24 35.285 -9.532 -11.952 0.50 17.24 C
ATOM 214 CD2ATYR A 24 34.349 -10.120 -11.004 0.50 14.00 C
ATOM 215 CD2BTYR A 24 33.402 -10.744 -11.107 0.50 15.02 C
ATOM 216 CE1ATYR A 24 36.918 -9.086 -11.342 0.50 12.77 C
ATOM 217 CE1BTYR A 24 36.106 -10.204 -11.059 0.50 16.72 C
ATOM 218 CE2ATYR A 24 35.317 -10.382 -10.083 0.50 15.94 C
ATOM 219 CE2BTYR A 24 34.209 -11.418 -10.221 0.50 15.43 C
ATOM 220 CZ ATYR A 24 36.598 -9.865 -10.238 0.50 14.47 C
ATOM 221 CZ BTYR A 24 35.565 -11.151 -10.195 0.50 16.64 C
ATOM 222 OH ATYR A 24 37.533 -10.179 -9.280 0.50 17.75 O
ATOM 223 OH BTYR A 24 36.411 -11.818 -9.312 0.50 13.96 O
ATOM 224 N TYR A 25 32.932 -7.026 -15.486 1.00 12.09 N
ATOM 225 CA TYR A 25 32.179 -6.584 -16.638 1.00 12.61 C
ATOM 226 C TYR A 25 31.081 -7.581 -16.948 1.00 11.80 C
ATOM 227 O TYR A 25 31.336 -8.785 -17.028 1.00 11.78 O
ATOM 228 CB TYR A 25 33.048 -6.452 -17.840 1.00 11.99 C
ATOM 229 CG TYR A 25 33.968 -5.305 -17.737 1.00 13.52 C
ATOM 230 CD1 TYR A 25 35.325 -5.518 -17.812 1.00 15.00 C
ATOM 231 CD2 TYR A 25 33.488 -4.013 -17.535 1.00 12.92 C
ATOM 232 CE1 TYR A 25 36.223 -4.433 -17.731 1.00 15.76 C
ATOM 233 CE2 TYR A 25 34.355 -2.917 -17.467 1.00 14.50 C
ATOM 234 CZ TYR A 25 35.739 -3.147 -17.578 1.00 16.48 C
ATOM 235 OH TYR A 25 36.629 -2.116 -17.499 1.00 18.00 O
ATOM 236 N THR A 26 29.880 -7.035 -17.078 1.00 11.69 N
ATOM 237 CA THR A 26 28.634 -7.821 -17.042 1.00 12.00 C
ATOM 238 C THR A 26 27.677 -7.090 -17.975 1.00 11.69 C
ATOM 239 O THR A 26 27.861 -5.934 -18.220 1.00 12.63 O
ATOM 240 CB THR A 26 28.104 -7.933 -15.551 1.00 12.28 C
ATOM 241 OG1 THR A 26 29.112 -8.590 -14.733 1.00 13.67 O
ATOM 242 CG2 THR A 26 26.740 -8.671 -15.460 1.00 13.96 C
ATOM 243 N ILE A 27 26.673 -7.754 -18.529 1.00 10.49 N
ATOM 244 CA ILE A 27 25.623 -7.061 -19.275 1.00 11.85 C
ATOM 245 C ILE A 27 24.289 -7.760 -19.021 1.00 10.90 C
ATOM 246 O ILE A 27 24.262 -8.839 -18.484 1.00 13.57 O
ATOM 247 CB ILE A 27 25.970 -6.982 -20.827 1.00 8.77 C
ATOM 248 CG1 ILE A 27 25.126 -5.864 -21.494 1.00 9.65 C
ATOM 249 CG2 ILE A 27 25.863 -8.366 -21.435 1.00 12.03 C
ATOM 250 CD1 ILE A 27 25.660 -5.372 -22.839 1.00 11.30 C
ATOM 251 N GLY A 28 23.198 -7.134 -19.399 1.00 11.08 N
ATOM 252 CA GLY A 28 21.893 -7.789 -19.451 1.00 11.75 C
ATOM 253 C GLY A 28 21.405 -8.092 -18.068 1.00 11.50 C
ATOM 254 O GLY A 28 21.389 -7.193 -17.197 1.00 11.34 O
ATOM 255 N ILE A 29 21.008 -9.359 -17.869 1.00 11.68 N
ATOM 256 CA ILE A 29 20.474 -9.822 -16.566 1.00 10.38 C
ATOM 257 C ILE A 29 21.581 -10.615 -15.842 1.00 10.59 C
ATOM 258 O ILE A 29 21.520 -11.830 -15.751 1.00 11.75 O
ATOM 259 CB ILE A 29 19.130 -10.547 -16.693 1.00 11.65 C
ATOM 260 CG1 ILE A 29 18.055 -9.646 -17.356 1.00 8.43 C
ATOM 261 CG2 ILE A 29 18.591 -10.990 -15.328 1.00 10.08 C
ATOM 262 CD1 ILE A 29 16.933 -10.395 -18.113 1.00 12.83 C
ATOM 263 N GLY A 30 22.601 -9.907 -15.332 1.00 10.90 N
ATOM 264 CA GLY A 30 23.716 -10.556 -14.663 1.00 10.32 C
ATOM 265 C GLY A 30 24.459 -11.550 -15.525 1.00 11.48 C
ATOM 266 O GLY A 30 24.903 -12.643 -15.066 1.00 12.69 O
ATOM 267 N HIS A 31 24.650 -11.172 -16.779 1.00 8.99 N
ATOM 268 CA HIS A 31 25.436 -12.044 -17.632 1.00 10.80 C
ATOM 269 C HIS A 31 26.876 -11.567 -17.520 1.00 8.81 C
ATOM 270 O HIS A 31 27.255 -10.542 -18.111 1.00 10.50 O
ATOM 271 CB HIS A 31 24.990 -11.990 -19.097 1.00 9.28 C
ATOM 272 CG HIS A 31 25.845 -12.837 -19.965 1.00 9.54 C
ATOM 273 ND1 HIS A 31 25.671 -14.193 -20.067 1.00 14.49 N
ATOM 274 CD2 HIS A 31 26.987 -12.555 -20.634 1.00 13.34 C
ATOM 275 CE1 HIS A 31 26.628 -14.703 -20.827 1.00 14.65 C
ATOM 276 NE2 HIS A 31 27.438 -13.727 -21.177 1.00 13.40 N
ATOM 277 N LEU A 32 27.674 -12.359 -16.827 1.00 10.44 N
ATOM 278 CA LEU A 32 29.069 -12.061 -16.591 1.00 12.64 C
ATOM 279 C LEU A 32 29.796 -12.233 -17.912 1.00 12.40 C
ATOM 280 O LEU A 32 29.675 -13.272 -18.584 1.00 12.89 O
ATOM 281 CB LEU A 32 29.615 -13.058 -15.554 1.00 13.09 C
ATOM 282 CG LEU A 32 31.118 -12.943 -15.243 1.00 14.71 C
ATOM 283 CD1 LEU A 32 31.455 -11.547 -14.710 1.00 11.58 C
ATOM 284 CD2 LEU A 32 31.592 -14.089 -14.245 1.00 14.66 C
ATOM 285 N LEU A 33 30.519 -11.216 -18.322 1.00 12.36 N
ATOM 286 CA LEU A 33 31.266 -11.293 -19.602 1.00 13.55 C
ATOM 287 C LEU A 33 32.696 -11.751 -19.366 1.00 15.00 C
ATOM 288 O LEU A 33 33.203 -12.621 -20.102 1.00 15.58 O
ATOM 289 CB LEU A 33 31.321 -9.920 -20.203 1.00 13.92 C
ATOM 290 CG LEU A 33 29.961 -9.530 -20.748 1.00 9.98 C
ATOM 291 CD1 LEU A 33 29.967 -8.038 -21.078 1.00 11.52 C
ATOM 292 CD2 LEU A 33 29.599 -10.356 -22.046 1.00 6.96 C
ATOM 293 N THR A 34 33.339 -11.200 -18.333 1.00 15.13 N
ATOM 294 CA THR A 34 34.686 -11.561 -18.021 1.00 16.46 C
ATOM 295 C THR A 34 35.082 -11.015 -16.666 1.00 17.47 C
ATOM 296 O THR A 34 34.547 -9.979 -16.232 1.00 17.59 O
ATOM 297 CB THR A 34 35.721 -10.977 -19.080 1.00 18.65 C
ATOM 298 OG1 THR A 34 37.052 -11.341 -18.700 1.00 19.78 O
ATOM 299 CG2 THR A 34 35.689 -9.465 -19.114 1.00 12.88 C
ATOM 300 N LYS A 35 36.068 -11.674 -16.039 1.00 18.87 N
ATOM 301 CA LYS A 35 36.806 -11.089 -14.902 1.00 21.97 C
ATOM 302 C LYS A 35 37.974 -10.166 -15.236 1.00 23.16 C
ATOM 303 O LYS A 35 38.512 -9.480 -14.335 1.00 23.53 O
ATOM 304 CB LYS A 35 37.258 -12.169 -13.930 1.00 22.07 C
ATOM 305 CG LYS A 35 36.033 -12.908 -13.404 1.00 22.54 C
ATOM 306 CD LYS A 35 36.355 -13.859 -12.265 1.00 20.80 C
ATOM 307 CE LYS A 35 35.035 -14.572 -11.907 1.00 28.15 C
ATOM 308 NZ LYS A 35 35.218 -15.611 -10.823 1.00 29.37 N
ATOM 309 N SER A 36 38.357 -10.125 -16.505 1.00 23.27 N
ATOM 310 CA SER A 36 39.391 -9.206 -16.956 1.00 22.49 C
ATOM 311 C SER A 36 39.054 -7.756 -16.718 1.00 22.79 C
ATOM 312 O SER A 36 37.917 -7.313 -16.954 1.00 20.74 O
ATOM 313 CB SER A 36 39.643 -9.383 -18.454 1.00 23.05 C
ATOM 314 OG SER A 36 40.470 -8.323 -18.929 1.00 21.13 O
ATOM 315 N PRO A 37 40.044 -6.993 -16.251 1.00 23.64 N
ATOM 316 CA PRO A 37 39.856 -5.563 -16.100 1.00 23.78 C
ATOM 317 C PRO A 37 39.896 -4.829 -17.439 1.00 24.01 C
ATOM 318 O PRO A 37 39.743 -3.621 -17.474 1.00 23.95 O
ATOM 319 CB PRO A 37 41.054 -5.135 -15.238 1.00 24.98 C
ATOM 320 CG PRO A 37 42.145 -6.158 -15.541 1.00 24.78 C
ATOM 321 CD PRO A 37 41.366 -7.465 -15.809 1.00 24.30 C
ATOM 322 N ASP A 38 40.068 -5.565 -18.522 1.00 23.55 N
ATOM 323 CA ASP A 38 40.176 -4.981 -19.861 1.00 23.61 C
ATOM 324 C ASP A 38 38.763 -4.867 -20.435 1.00 22.10 C
ATOM 325 O ASP A 38 38.113 -5.896 -20.726 1.00 23.06 O
ATOM 326 CB ASP A 38 40.984 -5.939 -20.711 1.00 23.90 C
ATOM 327 CG ASP A 38 41.359 -5.383 -22.079 1.00 29.00 C
ATOM 328 OD1 ASP A 38 40.917 -4.290 -22.515 1.00 31.63 O
ATOM 329 OD2 ASP A 38 42.140 -6.103 -22.744 0.50 31.87 O
ATOM 330 N LEU A 39 38.291 -3.640 -20.593 1.00 20.06 N
ATOM 331 CA LEU A 39 37.000 -3.399 -21.170 1.00 17.93 C
ATOM 332 C LEU A 39 36.922 -4.016 -22.574 1.00 17.00 C
ATOM 333 O LEU A 39 35.903 -4.585 -22.967 1.00 14.52 O
ATOM 334 CB LEU A 39 36.636 -1.933 -21.144 1.00 19.75 C
ATOM 335 CG LEU A 39 35.242 -1.577 -21.762 1.00 19.08 C
ATOM 336 CD1 LEU A 39 33.981 -2.226 -21.083 1.00 15.17 C
ATOM 337 CD2 LEU A 39 35.178 -0.079 -21.883 1.00 17.63 C
ATOM 338 N ASN A 40 38.013 -3.974 -23.313 1.00 15.29 N
ATOM 339 CA ASN A 40 37.986 -4.574 -24.624 1.00 16.57 C
ATOM 340 C ASN A 40 37.790 -6.091 -24.605 1.00 15.17 C
ATOM 341 O ASN A 40 37.255 -6.653 -25.553 1.00 15.96 O
ATOM 342 CB ASN A 40 39.272 -4.248 -25.372 1.00 19.04 C
ATOM 343 CG ASN A 40 39.309 -2.805 -25.835 1.00 24.09 C
ATOM 344 OD1 ASN A 40 38.287 -2.209 -26.268 1.00 27.52 O
ATOM 345 ND2 ASN A 40 40.500 -2.211 -25.714 1.00 29.99 N
ATOM 346 N ALA A 41 38.321 -6.754 -23.585 1.00 15.24 N
ATOM 347 CA ALA A 41 38.222 -8.195 -23.467 1.00 15.24 C
ATOM 348 C ALA A 41 36.757 -8.490 -23.200 1.00 15.28 C
ATOM 349 O ALA A 41 36.235 -9.509 -23.713 1.00 16.99 O
ATOM 350 CB ALA A 41 39.085 -8.733 -22.392 1.00 13.34 C
ATOM 351 N ALA A 42 36.085 -7.617 -22.421 1.00 15.41 N
ATOM 352 CA ALA A 42 34.615 -7.764 -22.207 1.00 13.34 C
ATOM 353 C ALA A 42 33.800 -7.533 -23.458 1.00 14.85 C
ATOM 354 O ALA A 42 32.802 -8.239 -23.737 1.00 15.53 O
ATOM 355 CB ALA A 42 34.111 -6.888 -21.007 1.00 14.75 C
ATOM 356 N LYS A 43 34.207 -6.541 -24.235 1.00 14.45 N
ATOM 357 CA LYS A 43 33.554 -6.246 -25.485 1.00 13.01 C
ATOM 358 C LYS A 43 33.731 -7.366 -26.446 1.00 11.58 C
ATOM 359 O LYS A 43 32.795 -7.672 -27.135 1.00 13.80 O
ATOM 360 CB LYS A 43 34.002 -4.925 -26.119 1.00 13.83 C
ATOM 361 CG LYS A 43 33.566 -3.712 -25.306 1.00 18.49 C
ATOM 362 CD LYS A 43 34.132 -2.436 -25.871 1.00 21.84 C
ATOM 363 CE LYS A 43 33.394 -1.273 -25.232 1.00 26.35 C
ATOM 364 NZ LYS A 43 33.578 -0.015 -25.966 1.00 30.22 N
ATOM 365 N SER A 44 34.896 -8.006 -26.487 1.00 11.60 N
ATOM 366 CA SER A 44 35.087 -9.174 -27.387 1.00 12.83 C
ATOM 367 C SER A 44 34.145 -10.342 -26.941 1.00 13.44 C
ATOM 368 O SER A 44 33.436 -10.996 -27.768 1.00 13.24 O
ATOM 369 CB SER A 44 36.594 -9.526 -27.412 1.00 14.76 C
ATOM 370 OG SER A 44 36.850 -10.723 -28.102 1.00 18.81 O
ATOM 371 N GLU A 45 34.089 -10.602 -25.629 1.00 13.03 N
ATOM 372 CA GLU A 45 33.200 -11.666 -25.058 1.00 12.59 C
ATOM 373 C GLU A 45 31.750 -11.385 -25.361 1.00 12.07 C
ATOM 374 O GLU A 45 31.017 -12.296 -25.676 1.00 13.76 O
ATOM 375 CB GLU A 45 33.334 -11.748 -23.555 1.00 10.62 C
ATOM 376 CG GLU A 45 34.647 -12.347 -23.128 1.00 12.96 C
ATOM 377 CD GLU A 45 34.855 -13.718 -23.805 1.00 15.13 C
ATOM 378 OE1 GLU A 45 34.075 -14.665 -23.575 1.00 13.31 O
ATOM 379 OE2 GLU A 45 35.826 -13.847 -24.550 1.00 17.67 O
ATOM 380 N LEU A 46 31.316 -10.121 -25.250 1.00 11.28 N
ATOM 381 CA LEU A 46 29.963 -9.716 -25.595 1.00 10.57 C
ATOM 382 C LEU A 46 29.645 -10.066 -27.044 1.00 11.44 C
ATOM 383 O LEU A 46 28.620 -10.666 -27.334 1.00 12.45 O
ATOM 384 CB LEU A 46 29.680 -8.195 -25.388 1.00 7.82 C
ATOM 385 CG LEU A 46 28.261 -7.700 -25.710 1.00 8.57 C
ATOM 386 CD1 LEU A 46 27.223 -8.416 -24.846 1.00 11.19 C
ATOM 387 CD2 LEU A 46 28.126 -6.246 -25.455 1.00 10.01 C
ATOM 388 N ASP A 47 30.509 -9.645 -27.950 1.00 12.06 N
ATOM 389 CA ASP A 47 30.287 -9.869 -29.345 1.00 11.19 C
ATOM 390 C ASP A 47 30.254 -11.369 -29.653 1.00 11.07 C
ATOM 391 O ASP A 47 29.487 -11.789 -30.501 1.00 10.42 O
ATOM 392 CB ASP A 47 31.423 -9.217 -30.093 1.00 10.99 C
ATOM 393 CG ASP A 47 31.363 -7.695 -30.024 1.00 12.43 C
ATOM 394 OD1 ASP A 47 30.355 -7.081 -29.552 1.00 10.46 O
ATOM 395 OD2 ASP A 47 32.309 -7.121 -30.573 1.00 18.98 O
ATOM 396 N LYS A 48 31.150 -12.145 -29.021 1.00 10.81 N
ATOM 397 CA LYS A 48 31.160 -13.618 -29.170 1.00 10.31 C
ATOM 398 C LYS A 48 29.782 -14.205 -28.710 1.00 9.51 C
ATOM 399 O LYS A 48 29.201 -15.075 -29.374 1.00 10.98 O
ATOM 400 CB LYS A 48 32.335 -14.214 -28.396 1.00 8.87 C
ATOM 401 CG LYS A 48 32.462 -15.715 -28.570 1.00 9.35 C
ATOM 402 CD LYS A 48 33.818 -16.315 -28.181 1.00 8.34 C
ATOM 403 CE LYS A 48 34.396 -15.833 -26.876 1.00 9.68 C
ATOM 404 NZ LYS A 48 33.695 -16.293 -25.719 1.00 11.58 N
ATOM 405 N ALA A 49 29.245 -13.662 -27.615 1.00 10.87 N
ATOM 406 CA ALA A 49 28.052 -14.170 -26.929 1.00 12.51 C
ATOM 407 C ALA A 49 26.820 -13.908 -27.790 1.00 12.83 C
ATOM 408 O ALA A 49 25.892 -14.760 -27.952 1.00 11.18 O
ATOM 409 CB ALA A 49 27.927 -13.423 -25.553 1.00 13.07 C
ATOM 410 N ILE A 50 26.842 -12.746 -28.406 1.00 12.15 N
ATOM 411 CA ILE A 50 25.673 -12.274 -29.151 1.00 12.61 C
ATOM 412 C ILE A 50 25.735 -12.652 -30.633 1.00 11.87 C
ATOM 413 O ILE A 50 24.695 -12.767 -31.255 1.00 12.43 O
ATOM 414 CB ILE A 50 25.472 -10.730 -29.010 1.00 10.16 C
ATOM 415 CG1 ILE A 50 25.282 -10.393 -27.508 1.00 14.77 C
ATOM 416 CG2 ILE A 50 24.281 -10.260 -29.866 1.00 11.98 C
ATOM 417 CD1 ILE A 50 24.049 -10.949 -26.859 1.00 14.13 C
ATOM 418 N GLY A 51 26.937 -12.913 -31.144 1.00 13.85 N
ATOM 419 CA GLY A 51 27.113 -13.231 -32.576 1.00 14.53 C
ATOM 420 C GLY A 51 27.105 -11.986 -33.492 1.00 17.21 C
ATOM 421 O GLY A 51 26.856 -12.081 -34.685 1.00 17.73 O
ATOM 422 N ARG A 52 27.351 -10.806 -32.950 1.00 16.02 N
ATOM 423 CA ARG A 52 27.364 -9.594 -33.759 1.00 16.50 C
ATOM 424 C ARG A 52 28.271 -8.634 -33.015 1.00 14.92 C
ATOM 425 O ARG A 52 28.613 -8.905 -31.871 1.00 15.80 O
ATOM 426 CB ARG A 52 25.933 -9.028 -34.021 1.00 15.77 C
ATOM 427 CG ARG A 52 25.246 -8.424 -32.779 1.00 17.56 C
ATOM 428 CD ARG A 52 23.915 -7.712 -33.120 1.00 20.09 C
ATOM 429 NE ARG A 52 23.293 -7.136 -31.928 1.00 20.79 N
ATOM 430 CZ ARG A 52 23.658 -6.002 -31.341 1.00 21.18 C
ATOM 431 NH1 ARG A 52 24.597 -5.250 -31.904 1.00 25.60 N
ATOM 432 NH2 ARG A 52 23.006 -5.576 -30.243 1.00 23.53 N
ATOM 433 N ASN A 53 28.662 -7.545 -33.683 1.00 14.53 N
ATOM 434 CA ASN A 53 29.520 -6.494 -33.171 1.00 15.36 C
ATOM 435 C ASN A 53 28.632 -5.561 -32.350 1.00 15.47 C
ATOM 436 O ASN A 53 27.881 -4.804 -32.906 1.00 13.54 O
ATOM 437 CB ASN A 53 30.083 -5.698 -34.363 1.00 15.64 C
ATOM 438 CG ASN A 53 31.367 -6.294 -34.930 0.50 16.35 C
ATOM 439 OD1 ASN A 53 32.043 -7.087 -34.292 0.50 17.84 O
ATOM 440 ND2 ASN A 53 31.703 -5.901 -36.141 0.50 14.99 N
ATOM 441 N CYS A 54 28.636 -5.674 -31.027 1.00 15.19 N
ATOM 442 CA CYS A 54 27.590 -4.959 -30.253 1.00 15.66 C
ATOM 443 C CYS A 54 28.035 -3.621 -29.806 1.00 15.84 C
ATOM 444 O CYS A 54 27.199 -2.775 -29.399 1.00 18.75 O
ATOM 445 CB CYS A 54 27.165 -5.741 -29.019 1.00 14.40 C
ATOM 446 SG CYS A 54 26.498 -7.306 -29.460 1.00 17.76 S
ATOM 447 N ASN A 55 29.345 -3.411 -29.844 1.00 16.88 N
ATOM 448 CA ASN A 55 29.936 -2.166 -29.332 1.00 17.33 C
ATOM 449 C ASN A 55 29.426 -1.846 -27.898 1.00 17.29 C
ATOM 450 O ASN A 55 29.010 -0.715 -27.600 1.00 18.40 O
ATOM 451 CB ASN A 55 29.776 -1.019 -30.373 0.50 17.07 C
ATOM 452 CG ASN A 55 30.752 -1.170 -31.559 0.50 16.33 C
ATOM 453 OD1 ASN A 55 30.405 -1.679 -32.645 0.50 15.28 O
ATOM 454 ND2 ASN A 55 32.004 -0.737 -31.339 0.50 17.57 N
ATOM 455 N GLY A 56 29.441 -2.884 -27.041 1.00 17.17 N
ATOM 456 CA GLY A 56 29.107 -2.757 -25.606 1.00 15.09 C
ATOM 457 C GLY A 56 27.651 -2.511 -25.272 1.00 13.62 C
ATOM 458 O GLY A 56 27.334 -2.204 -24.136 1.00 13.57 O
ATOM 459 N VAL A 57 26.748 -2.702 -26.236 1.00 13.31 N
ATOM 460 CA VAL A 57 25.346 -2.490 -26.026 1.00 13.69 C
ATOM 461 C VAL A 57 24.535 -3.599 -26.695 1.00 12.83 C
ATOM 462 O VAL A 57 24.850 -4.088 -27.791 1.00 12.42 O
ATOM 463 CB VAL A 57 24.859 -1.101 -26.538 1.00 15.47 C
ATOM 464 CG1 VAL A 57 23.410 -0.916 -26.178 1.00 13.56 C
ATOM 465 CG2 VAL A 57 25.705 0.016 -25.893 1.00 14.18 C
ATOM 466 N ILE A 58 23.511 -4.022 -25.982 1.00 13.06 N
ATOM 467 CA ILE A 58 22.602 -5.022 -26.493 1.00 12.11 C
ATOM 468 C ILE A 58 21.164 -4.584 -26.292 1.00 12.45 C
ATOM 469 O ILE A 58 20.885 -3.604 -25.568 1.00 13.66 O
ATOM 470 CB ILE A 58 22.798 -6.421 -25.791 1.00 10.33 C
ATOM 471 CG1 ILE A 58 22.427 -6.352 -24.291 1.00 12.49 C
ATOM 472 CG2 ILE A 58 24.250 -7.024 -26.093 1.00 12.03 C
ATOM 473 CD1 ILE A 58 22.387 -7.785 -23.587 1.00 9.93 C
ATOM 474 N THR A 59 20.253 -5.328 -26.935 1.00 12.65 N
ATOM 475 CA THR A 59 18.812 -5.151 -26.769 1.00 13.78 C
ATOM 476 C THR A 59 18.222 -5.960 -25.596 1.00 14.47 C
ATOM 477 O THR A 59 18.852 -6.901 -25.069 1.00 12.93 O
ATOM 478 CB THR A 59 18.073 -5.512 -28.073 1.00 15.34 C
ATOM 479 OG1 THR A 59 18.130 -6.940 -28.269 1.00 14.31 O
ATOM 480 CG2 THR A 59 18.685 -4.675 -29.284 1.00 14.99 C
ATOM 481 N LYS A 60 16.981 -5.603 -25.230 1.00 15.15 N
ATOM 482 CA LYS A 60 16.272 -6.347 -24.200 1.00 15.55 C
ATOM 483 C LYS A 60 16.150 -7.794 -24.630 1.00 15.96 C
ATOM 484 O LYS A 60 16.365 -8.714 -23.817 1.00 15.57 O
ATOM 485 CB LYS A 60 14.914 -5.735 -23.901 1.00 15.63 C
ATOM 486 CG LYS A 60 14.212 -6.387 -22.697 1.00 14.56 C
ATOM 487 CD LYS A 60 13.071 -5.601 -22.181 1.00 16.36 C
ATOM 488 CE LYS A 60 12.125 -6.493 -21.386 1.00 21.55 C
ATOM 489 NZ LYS A 60 10.958 -5.776 -20.764 0.50 24.65 N
ATOM 490 N ASP A 61 15.803 -8.011 -25.912 1.00 16.94 N
ATOM 491 CA ASP A 61 15.634 -9.389 -26.387 1.00 15.82 C
ATOM 492 C ASP A 61 16.949 -10.149 -26.254 1.00 13.72 C
ATOM 493 O ASP A 61 16.957 -11.323 -25.851 1.00 12.79 O
ATOM 494 CB ASP A 61 15.230 -9.414 -27.845 1.00 16.67 C
ATOM 495 CG ASP A 61 13.789 -9.038 -28.059 1.00 22.04 C
ATOM 496 OD1 ASP A 61 13.035 -8.672 -27.114 1.00 24.22 O
ATOM 497 OD2 ASP A 61 13.389 -9.094 -29.238 1.00 29.10 O
ATOM 498 N GLU A 62 18.050 -9.502 -26.637 1.00 12.95 N
ATOM 499 CA GLU A 62 19.371 -10.153 -26.539 1.00 13.13 C
ATOM 500 C GLU A 62 19.666 -10.403 -25.071 1.00 11.06 C
ATOM 501 O GLU A 62 20.270 -11.425 -24.758 1.00 10.10 O
ATOM 502 CB GLU A 62 20.457 -9.318 -27.156 1.00 13.17 C
ATOM 503 CG GLU A 62 20.188 -9.063 -28.645 1.00 16.48 C
ATOM 504 CD GLU A 62 21.138 -8.105 -29.365 1.00 16.24 C
ATOM 505 OE1 GLU A 62 21.583 -7.055 -28.815 1.00 15.48 O
ATOM 506 OE2 GLU A 62 21.446 -8.420 -30.546 1.00 15.92 O
ATOM 507 N ALA A 63 19.276 -9.464 -24.174 1.00 10.00 N
ATOM 508 CA ALA A 63 19.507 -9.712 -22.738 1.00 8.92 C
ATOM 509 C ALA A 63 18.773 -10.963 -22.260 1.00 10.79 C
ATOM 510 O ALA A 63 19.393 -11.814 -21.590 1.00 11.01 O
ATOM 511 CB ALA A 63 19.137 -8.549 -21.890 1.00 11.14 C
ATOM 512 N GLU A 64 17.476 -11.074 -22.613 1.00 10.55 N
ATOM 513 CA GLU A 64 16.654 -12.183 -22.194 1.00 9.59 C
ATOM 514 C GLU A 64 17.154 -13.459 -22.831 1.00 10.50 C
ATOM 515 O GLU A 64 17.118 -14.491 -22.222 1.00 10.93 O
ATOM 516 CB GLU A 64 15.227 -11.879 -22.514 1.00 11.46 C
ATOM 517 CG GLU A 64 14.650 -10.758 -21.559 1.00 12.95 C
ATOM 518 CD GLU A 64 13.361 -10.129 -22.108 1.00 19.94 C
ATOM 519 OE1 GLU A 64 13.046 -10.395 -23.301 1.00 21.72 O
ATOM 520 OE2 GLU A 64 12.700 -9.325 -21.383 1.00 21.66 O
ATOM 521 N LYS A 65 17.681 -13.388 -24.050 1.00 9.94 N
ATOM 522 CA LYS A 65 18.256 -14.589 -24.614 1.00 10.27 C
ATOM 523 C LYS A 65 19.452 -15.142 -23.818 1.00 10.44 C
ATOM 524 O LYS A 65 19.510 -16.322 -23.500 1.00 8.28 O
ATOM 525 CB LYS A 65 18.621 -14.364 -26.077 1.00 10.94 C
ATOM 526 CG LYS A 65 19.120 -15.640 -26.661 1.00 9.62 C
ATOM 527 CD LYS A 65 19.273 -15.438 -28.137 1.00 18.05 C
ATOM 528 CE LYS A 65 19.717 -16.760 -28.669 1.00 20.75 C
ATOM 529 NZ LYS A 65 19.257 -16.995 -30.009 1.00 22.44 N
ATOM 530 N LEU A 66 20.416 -14.292 -23.518 1.00 11.27 N
ATOM 531 CA LEU A 66 21.577 -14.664 -22.689 1.00 10.98 C
ATOM 532 C LEU A 66 21.059 -15.219 -21.339 1.00 10.20 C
ATOM 533 O LEU A 66 21.603 -16.197 -20.770 1.00 8.48 O
ATOM 534 CB LEU A 66 22.431 -13.396 -22.435 1.00 11.43 C
ATOM 535 CG LEU A 66 23.246 -12.880 -23.691 1.00 10.72 C
ATOM 536 CD1 LEU A 66 23.979 -11.568 -23.276 1.00 15.89 C
ATOM 537 CD2 LEU A 66 24.275 -13.877 -24.098 1.00 17.06 C
ATOM 538 N PHE A 67 20.045 -14.540 -20.815 1.00 10.45 N
ATOM 539 CA PHE A 67 19.483 -14.876 -19.493 1.00 11.64 C
ATOM 540 C PHE A 67 18.889 -16.290 -19.535 1.00 11.66 C
ATOM 541 O PHE A 67 19.155 -17.127 -18.662 1.00 12.35 O
ATOM 542 CB PHE A 67 18.431 -13.838 -19.108 1.00 10.74 C
ATOM 543 CG PHE A 67 17.788 -14.043 -17.704 1.00 13.29 C
ATOM 544 CD1 PHE A 67 18.546 -14.451 -16.611 1.00 11.59 C
ATOM 545 CD2 PHE A 67 16.417 -13.717 -17.508 1.00 14.66 C
ATOM 546 CE1 PHE A 67 18.012 -14.551 -15.339 1.00 13.70 C
ATOM 547 CE2 PHE A 67 15.844 -13.829 -16.240 1.00 8.46 C
ATOM 548 CZ PHE A 67 16.641 -14.258 -15.165 1.00 14.46 C
ATOM 549 N ASN A 68 18.036 -16.548 -20.516 1.00 11.62 N
ATOM 550 CA AASN A 68 17.541 -17.893 -20.780 0.50 11.70 C
ATOM 551 CA BASN A 68 17.543 -17.904 -20.656 0.50 11.62 C
ATOM 552 C ASN A 68 18.665 -18.909 -20.772 1.00 11.78 C
ATOM 553 O ASN A 68 18.594 -19.936 -20.142 1.00 13.01 O
ATOM 554 CB AASN A 68 16.820 -17.901 -22.136 0.50 11.53 C
ATOM 555 CB BASN A 68 16.563 -18.019 -21.810 0.50 11.63 C
ATOM 556 CG AASN A 68 15.372 -17.443 -22.038 0.50 12.13 C
ATOM 557 CG BASN A 68 15.825 -19.342 -21.829 0.50 11.61 C
ATOM 558 OD1AASN A 68 14.742 -17.598 -20.989 0.50 13.94 O
ATOM 559 OD1BASN A 68 16.124 -20.285 -21.087 0.50 13.56 O
ATOM 560 ND2AASN A 68 14.830 -16.893 -23.139 0.50 8.69 N
ATOM 561 ND2BASN A 68 14.820 -19.409 -22.683 0.50 15.20 N
ATOM 562 N GLN A 69 19.727 -18.630 -21.556 1.00 11.81 N
ATOM 563 CA GLN A 69 20.846 -19.553 -21.615 1.00 11.54 C
ATOM 564 C GLN A 69 21.544 -19.724 -20.245 1.00 12.95 C
ATOM 565 O GLN A 69 21.915 -20.861 -19.870 1.00 12.00 O
ATOM 566 CB GLN A 69 21.893 -19.068 -22.615 1.00 12.40 C
ATOM 567 CG GLN A 69 21.358 -19.052 -23.987 1.00 9.65 C
ATOM 568 CD GLN A 69 22.297 -18.543 -25.025 1.00 15.93 C
ATOM 569 OE1 GLN A 69 22.004 -18.771 -26.199 1.00 14.26 O
ATOM 570 NE2 GLN A 69 23.447 -17.857 -24.639 1.00 7.52 N
ATOM 571 N ASP A 70 21.682 -18.609 -19.520 1.00 12.06 N
ATOM 572 CA ASP A 70 22.362 -18.581 -18.205 1.00 13.01 C
ATOM 573 C ASP A 70 21.603 -19.373 -17.141 1.00 13.30 C
ATOM 574 O ASP A 70 22.218 -20.158 -16.423 1.00 13.91 O
ATOM 575 CB ASP A 70 22.656 -17.133 -17.741 1.00 12.93 C
ATOM 576 CG ASP A 70 23.751 -16.485 -18.601 1.00 12.85 C
ATOM 577 OD1 ASP A 70 24.358 -17.190 -19.432 1.00 10.38 O
ATOM 578 OD2 ASP A 70 23.960 -15.296 -18.478 1.00 15.54 O
ATOM 579 N VAL A 71 20.282 -19.221 -17.121 1.00 13.81 N
ATOM 580 CA VAL A 71 19.446 -19.962 -16.161 1.00 14.32 C
ATOM 581 C VAL A 71 19.507 -21.448 -16.479 1.00 13.97 C
ATOM 582 O VAL A 71 19.792 -22.277 -15.617 1.00 13.66 O
ATOM 583 CB VAL A 71 18.053 -19.421 -16.128 1.00 14.69 C
ATOM 584 CG1 VAL A 71 17.122 -20.311 -15.207 1.00 17.08 C
ATOM 585 CG2 VAL A 71 18.085 -17.953 -15.713 1.00 13.00 C
ATOM 586 N ASP A 72 19.282 -21.772 -17.752 1.00 13.09 N
ATOM 587 CA AASP A 72 19.329 -23.119 -18.221 0.50 12.65 C
ATOM 588 CA BASP A 72 19.320 -23.135 -18.192 0.25 12.18 C
ATOM 589 C ASP A 72 20.672 -23.728 -17.839 1.00 13.46 C
ATOM 590 O ASP A 72 20.747 -24.804 -17.204 1.00 13.48 O
ATOM 591 CB AASP A 72 19.131 -23.105 -19.725 0.50 12.21 C
ATOM 592 CB BASP A 72 19.066 -23.195 -19.680 0.50 10.51 C
ATOM 593 CG AASP A 72 18.850 -24.456 -20.279 0.50 15.38 C
ATOM 594 CG BASP A 72 18.935 -24.600 -20.185 0.25 9.93 C
ATOM 595 OD1AASP A 72 18.703 -25.384 -19.461 0.50 14.46 O
ATOM 596 OD1BASP A 72 17.767 -25.017 -20.398 0.25 10.93 O
ATOM 597 OD2AASP A 72 18.757 -24.584 -21.537 0.50 17.74 O
ATOM 598 OD2BASP A 72 19.987 -25.267 -20.383 0.25 2.00 O