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1T8A.pdb
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1T8A.pdb
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HEADER HYDROLASE 11-MAY-04 1T8A
TITLE USE OF SEQUENCE DUPLICATION TO ENGINEER A LIGAND-TRIGGERED
TITLE 2 LONG-DISTANCE MOLECULAR SWITCH IN T4 LYSOSYME
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_TAXID: 10665;
SOURCE 4 GENE: E;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS MOLECULAR SWITCH, T4 LYSOZYME, NANO-BITECHNOLOGY, PROTEIN
KEYWDS 2 ENGINEERING, PROTEIN DESIGN, HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR M.S.YOUSEF,W.A.BAASE,B.W.MATTHEWS
REVDAT 2 24-FEB-09 1T8A 1 VERSN
REVDAT 1 17-AUG-04 1T8A 0
JRNL AUTH M.S.YOUSEF,W.A.BAASE,B.W.MATTHEWS
JRNL TITL USE OF SEQUENCE DUPLICATION TO ENGINEER A
JRNL TITL 2 LIGAND-TRIGGERED, LONG-DISTANCE MOLECULAR SWITCH
JRNL TITL 3 IN T4 LYSOZYME.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 101 11583 2004
JRNL REFN ISSN 0027-8424
JRNL PMID 15286283
JRNL DOI 10.1073/PNAS.0404482101
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.SAGERMANN,W.A.BAASE,B.W.MATTHEWS
REMARK 1 TITL STRUCTURAL CHARACTERIZATION OF AN ENGINEERED
REMARK 1 TITL 2 TANDEM REPEAT CONTRASTS THE IMPORTANCE OF CONTEXT
REMARK 1 TITL 3 AND SEQUENCE IN PROTEIN FOLDING.
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 96 6078 1999
REMARK 1 REFN ISSN 0027-8424
REMARK 1 PMID 10339544
REMARK 1 DOI 10.1073/PNAS.96.11.6078
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.SAGERMANN,L.GAY,B.W.MATTHEWS
REMARK 1 TITL LONG-DISTANCE CONFORMATIONAL CHANGES IN A PROTEIN
REMARK 1 TITL 2 ENGINEERED BY MODULATED SEQUENCE DUPLICATION
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 100 9191 2003
REMARK 1 REFN ISSN 0027-8424
REMARK 1 PMID 12869697
REMARK 1 DOI 10.1073/PNAS.1633549100
REMARK 2
REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
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 : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 596848.300
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.0
REMARK 3 NUMBER OF REFLECTIONS : 13799
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) : 0.218
REMARK 3 FREE R VALUE : 0.251
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 695
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 91.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2007
REMARK 3 BIN R VALUE (WORKING SET) : 0.2310
REMARK 3 BIN FREE R VALUE : 0.2870
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.80
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 102
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1430
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 13
REMARK 3 SOLVENT ATOMS : 131
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 18.10
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.00
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.29000
REMARK 3 B22 (A**2) : -1.29000
REMARK 3 B33 (A**2) : 2.58000
REMARK 3 B12 (A**2) : -0.49000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.24
REMARK 3 ESD FROM SIGMAA (A) : 0.12
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.30
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.005
REMARK 3 BOND ANGLES (DEGREES) : 1.00
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 18.10
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.63
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : 5.650 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.920 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 7.160 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 9.590 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.38
REMARK 3 BSOL : 62.85
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 : PROTEIN_REP.PARAM
REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 3 : GAI.PARAM
REMARK 3 PARAMETER FILE 4 : ION.PARAM
REMARK 3 PARAMETER FILE 5 : HED.PARAM
REMARK 3 PARAMETER FILE 6 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : WATER.TOP
REMARK 3 TOPOLOGY FILE 3 : GAI_3.TOP
REMARK 3 TOPOLOGY FILE 4 : HED.TOP
REMARK 3 TOPOLOGY FILE 5 : ION.TOP
REMARK 3 TOPOLOGY FILE 6 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1T8A COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-MAY-04.
REMARK 100 THE RCSB ID CODE IS RCSB022436.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 100.0
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : MIRRORS
REMARK 200 OPTICS : KOHZU: DOUBLE CRYSTAL SI(111)
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL (DENZO)
REMARK 200 DATA SCALING SOFTWARE : HKL (SCALEPACK)
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13956
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.04600
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 33.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07
REMARK 200 COMPLETENESS FOR SHELL (%) : 99.0
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.21400
REMARK 200 <I/SIGMA(I)> FOR SHELL : 5.000
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: CNS
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 53.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.8 M MIXED POTASSIUM AND SODIUM
REMARK 280 PHOSPHATE. 0.2 M GUANIDINIUM CHLORIDE, PH 6.5, VAPOR
REMARK 280 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 64.12667
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 32.06333
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 32.06333
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 64.12667
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 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 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 76.86 -107.30
REMARK 500 PRO A 37 -179.75 -68.25
REMARK 500 ALA A 41 -99.57 25.96
REMARK 500 ALA A 42 126.47 177.32
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 CL A 500
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAI A 300
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HED A 900
DBREF 1T8A A 1 175 UNP P00720 LYS_BPT4 1 164
SEQADV 1T8A ILE A 39 UNP P00720 LEU 39 ENGINEERED
SEQADV 1T8A ASN A 40 UNP P00720 INSERTION
SEQADV 1T8A ALA A 41 UNP P00720 INSERTION
SEQADV 1T8A ALA A 42 UNP P00720 INSERTION
SEQADV 1T8A LYS A 43 UNP P00720 INSERTION
SEQADV 1T8A SER A 44 UNP P00720 INSERTION
SEQADV 1T8A GLU A 45 UNP P00720 INSERTION
SEQADV 1T8A LEU A 46 UNP P00720 INSERTION
SEQADV 1T8A ASP A 47 UNP P00720 INSERTION
SEQADV 1T8A LYS A 48 UNP P00720 INSERTION
SEQADV 1T8A ALA A 49 UNP P00720 INSERTION
SEQADV 1T8A ILE A 50 UNP P00720 INSERTION
SEQADV 1T8A ALA A 63 UNP P00720 ARG 52 ENGINEERED
SEQADV 1T8A THR A 65 UNP P00720 CYS 54 ENGINEERED
SEQADV 1T8A ALA A 108 UNP P00720 CYS 97 ENGINEERED
SEQRES 1 A 175 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU
SEQRES 2 A 175 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR
SEQRES 3 A 175 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER ILE
SEQRES 4 A 175 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE ASN ALA
SEQRES 5 A 175 ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ALA ASN THR
SEQRES 6 A 175 ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS LEU PHE
SEQRES 7 A 175 ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE LEU ARG
SEQRES 8 A 175 ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU ASP ALA
SEQRES 9 A 175 VAL ARG ARG ALA ALA LEU ILE ASN MET VAL PHE GLN MET
SEQRES 10 A 175 GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER LEU ARG
SEQRES 11 A 175 MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA VAL ASN
SEQRES 12 A 175 LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO ASN ARG
SEQRES 13 A 175 ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY THR TRP
SEQRES 14 A 175 ASP ALA TYR LYS ASN LEU
HET CL A 500 1
HET GAI A 300 4
HET HED A 900 8
HETNAM CL CHLORIDE ION
HETNAM GAI GUANIDINE
HETNAM HED 2-HYDROXYETHYL DISULFIDE
FORMUL 2 CL CL 1-
FORMUL 3 GAI C H5 N3
FORMUL 4 HED C4 H10 O2 S2
FORMUL 5 HOH *131(H2 O)
HELIX 1 1 ASN A 2 GLY A 12 1 11
HELIX 2 2 ALA A 42 GLY A 62 1 21
HELIX 3 3 THR A 70 ASN A 92 1 23
HELIX 4 4 LYS A 94 LEU A 102 1 9
HELIX 5 5 ASP A 103 ALA A 123 1 21
HELIX 6 6 PHE A 125 GLN A 134 1 10
HELIX 7 7 ARG A 136 ALA A 145 1 10
HELIX 8 8 SER A 147 THR A 153 1 7
HELIX 9 9 THR A 153 GLY A 167 1 15
HELIX 10 10 TRP A 169 LYS A 173 5 5
SHEET 1 A 3 ARG A 14 LYS A 19 0
SHEET 2 A 3 TYR A 24 GLY A 28 -1 O THR A 26 N TYR A 18
SHEET 3 A 3 HIS A 31 LYS A 35 -1 O THR A 34 N TYR A 25
SITE 1 AC1 3 HIS A 31 LYS A 146 HOH A 425
SITE 1 AC2 4 ASN A 64 THR A 65 VAL A 68 GLU A 73
SITE 1 AC3 7 ILE A 3 PHE A 4 VAL A 82 ASP A 83
SITE 2 AC3 7 VAL A 86 ILE A 111 HOH A 485
CRYST1 60.401 60.401 96.190 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 0.016556 0.009559 0.000000 0.00000
SCALE2 0.000000 0.019117 0.000000 0.00000
SCALE3 0.000000 0.000000 0.010396 0.00000
ATOM 1 N MET A 1 40.820 -39.752 -41.043 1.00 27.22 N
ATOM 2 CA MET A 1 39.994 -38.519 -40.925 1.00 21.96 C
ATOM 3 C MET A 1 40.820 -37.333 -41.410 1.00 23.80 C
ATOM 4 O MET A 1 42.039 -37.329 -41.269 1.00 21.00 O
ATOM 5 CB MET A 1 39.574 -38.317 -39.460 1.00 25.36 C
ATOM 6 CG MET A 1 38.645 -37.128 -39.195 1.00 29.44 C
ATOM 7 SD MET A 1 37.021 -37.204 -40.012 1.00 30.81 S
ATOM 8 CE MET A 1 36.670 -38.956 -39.848 1.00 19.47 C
ATOM 9 N ASN A 2 40.154 -36.349 -42.008 1.00 23.51 N
ATOM 10 CA ASN A 2 40.804 -35.133 -42.503 1.00 24.00 C
ATOM 11 C ASN A 2 39.732 -34.063 -42.687 1.00 22.64 C
ATOM 12 O ASN A 2 38.546 -34.346 -42.519 1.00 20.31 O
ATOM 13 CB ASN A 2 41.550 -35.395 -43.819 1.00 16.49 C
ATOM 14 CG ASN A 2 40.642 -35.893 -44.919 1.00 24.36 C
ATOM 15 OD1 ASN A 2 39.680 -35.221 -45.295 1.00 19.83 O
ATOM 16 ND2 ASN A 2 40.946 -37.075 -45.451 1.00 18.02 N
ATOM 17 N ILE A 3 40.138 -32.844 -43.031 1.00 16.28 N
ATOM 18 CA ILE A 3 39.192 -31.735 -43.178 1.00 20.63 C
ATOM 19 C ILE A 3 38.000 -31.970 -44.108 1.00 17.72 C
ATOM 20 O ILE A 3 36.894 -31.496 -43.832 1.00 19.71 O
ATOM 21 CB ILE A 3 39.915 -30.451 -43.625 1.00 19.59 C
ATOM 22 CG1 ILE A 3 38.949 -29.266 -43.591 1.00 19.42 C
ATOM 23 CG2 ILE A 3 40.469 -30.628 -45.035 1.00 21.81 C
ATOM 24 CD1 ILE A 3 38.321 -29.005 -42.232 1.00 32.64 C
ATOM 25 N PHE A 4 38.215 -32.689 -45.205 1.00 19.43 N
ATOM 26 CA PHE A 4 37.124 -32.959 -46.141 1.00 21.82 C
ATOM 27 C PHE A 4 36.112 -33.900 -45.506 1.00 16.38 C
ATOM 28 O PHE A 4 34.908 -33.655 -45.565 1.00 16.74 O
ATOM 29 CB PHE A 4 37.666 -33.558 -47.445 1.00 16.12 C
ATOM 30 CG PHE A 4 38.338 -32.549 -48.344 1.00 21.10 C
ATOM 31 CD1 PHE A 4 37.605 -31.846 -49.301 1.00 23.26 C
ATOM 32 CD2 PHE A 4 39.698 -32.283 -48.218 1.00 23.94 C
ATOM 33 CE1 PHE A 4 38.217 -30.892 -50.120 1.00 21.10 C
ATOM 34 CE2 PHE A 4 40.323 -31.328 -49.033 1.00 22.78 C
ATOM 35 CZ PHE A 4 39.582 -30.632 -49.984 1.00 19.34 C
ATOM 36 N GLU A 5 36.601 -34.977 -44.895 1.00 19.27 N
ATOM 37 CA GLU A 5 35.720 -35.938 -44.237 1.00 22.70 C
ATOM 38 C GLU A 5 35.024 -35.299 -43.035 1.00 23.70 C
ATOM 39 O GLU A 5 33.861 -35.573 -42.757 1.00 17.01 O
ATOM 40 CB GLU A 5 36.514 -37.166 -43.773 1.00 19.22 C
ATOM 41 CG GLU A 5 36.943 -38.089 -44.896 1.00 27.60 C
ATOM 42 CD GLU A 5 37.742 -39.280 -44.403 1.00 28.77 C
ATOM 43 OE1 GLU A 5 37.539 -39.702 -43.243 1.00 31.91 O
ATOM 44 OE2 GLU A 5 38.564 -39.803 -45.182 1.00 31.54 O
ATOM 45 N MET A 6 35.748 -34.448 -42.321 1.00 18.59 N
ATOM 46 CA MET A 6 35.202 -33.767 -41.149 1.00 19.65 C
ATOM 47 C MET A 6 34.042 -32.844 -41.533 1.00 21.07 C
ATOM 48 O MET A 6 32.987 -32.854 -40.891 1.00 18.45 O
ATOM 49 CB MET A 6 36.305 -32.953 -40.460 1.00 15.98 C
ATOM 50 CG MET A 6 35.817 -32.127 -39.269 1.00 17.18 C
ATOM 51 SD MET A 6 36.984 -30.815 -38.815 1.00 19.05 S
ATOM 52 CE MET A 6 36.881 -30.812 -36.997 1.00 23.70 C
ATOM 53 N LEU A 7 34.242 -32.035 -42.573 1.00 18.86 N
ATOM 54 CA LEU A 7 33.199 -31.119 -43.012 1.00 15.77 C
ATOM 55 C LEU A 7 32.045 -31.854 -43.688 1.00 16.99 C
ATOM 56 O LEU A 7 30.906 -31.391 -43.656 1.00 20.72 O
ATOM 57 CB LEU A 7 33.784 -30.034 -43.933 1.00 12.52 C
ATOM 58 CG LEU A 7 34.393 -28.840 -43.170 1.00 19.75 C
ATOM 59 CD1 LEU A 7 35.188 -27.951 -44.110 1.00 15.71 C
ATOM 60 CD2 LEU A 7 33.283 -28.036 -42.495 1.00 16.42 C
ATOM 61 N ARG A 8 32.330 -32.998 -44.298 1.00 19.91 N
ATOM 62 CA ARG A 8 31.265 -33.771 -44.931 1.00 21.07 C
ATOM 63 C ARG A 8 30.319 -34.239 -43.822 1.00 20.84 C
ATOM 64 O ARG A 8 29.101 -34.267 -43.999 1.00 20.78 O
ATOM 65 CB ARG A 8 31.842 -34.979 -45.673 1.00 25.07 C
ATOM 66 CG ARG A 8 30.801 -36.000 -46.130 1.00 20.44 C
ATOM 67 CD ARG A 8 29.798 -35.415 -47.131 1.00 20.58 C
ATOM 68 NE ARG A 8 28.814 -36.420 -47.547 1.00 25.91 N
ATOM 69 CZ ARG A 8 27.801 -36.851 -46.797 1.00 25.98 C
ATOM 70 NH1 ARG A 8 27.611 -36.368 -45.579 1.00 27.46 N
ATOM 71 NH2 ARG A 8 26.978 -37.786 -47.260 1.00 28.18 N
ATOM 72 N ILE A 9 30.886 -34.586 -42.669 1.00 17.40 N
ATOM 73 CA ILE A 9 30.079 -35.039 -41.545 1.00 20.62 C
ATOM 74 C ILE A 9 29.256 -33.902 -40.949 1.00 23.83 C
ATOM 75 O ILE A 9 28.061 -34.062 -40.701 1.00 20.96 O
ATOM 76 CB ILE A 9 30.961 -35.662 -40.436 1.00 23.54 C
ATOM 77 CG1 ILE A 9 31.506 -37.013 -40.911 1.00 23.71 C
ATOM 78 CG2 ILE A 9 30.157 -35.814 -39.143 1.00 24.62 C
ATOM 79 CD1 ILE A 9 32.503 -37.654 -39.968 1.00 32.64 C
ATOM 80 N ASP A 10 29.887 -32.751 -40.732 1.00 19.31 N
ATOM 81 CA ASP A 10 29.185 -31.613 -40.145 1.00 18.06 C
ATOM 82 C ASP A 10 28.200 -30.908 -41.072 1.00 22.25 C
ATOM 83 O ASP A 10 27.196 -30.369 -40.607 1.00 18.51 O
ATOM 84 CB ASP A 10 30.175 -30.563 -39.614 1.00 18.62 C
ATOM 85 CG ASP A 10 30.944 -31.039 -38.388 1.00 20.35 C
ATOM 86 OD1 ASP A 10 30.384 -31.820 -37.583 1.00 22.85 O
ATOM 87 OD2 ASP A 10 32.109 -30.612 -38.224 1.00 19.65 O
ATOM 88 N GLU A 11 28.480 -30.911 -42.373 1.00 17.47 N
ATOM 89 CA GLU A 11 27.620 -30.225 -43.338 1.00 22.20 C
ATOM 90 C GLU A 11 26.605 -31.102 -44.060 1.00 20.72 C
ATOM 91 O GLU A 11 25.634 -30.591 -44.609 1.00 17.72 O
ATOM 92 CB GLU A 11 28.473 -29.525 -44.402 1.00 24.23 C
ATOM 93 CG GLU A 11 29.440 -28.477 -43.887 1.00 22.02 C
ATOM 94 CD GLU A 11 28.751 -27.222 -43.389 1.00 21.25 C
ATOM 95 OE1 GLU A 11 27.552 -27.024 -43.694 1.00 21.16 O
ATOM 96 OE2 GLU A 11 29.420 -26.426 -42.700 1.00 25.95 O
ATOM 97 N GLY A 12 26.832 -32.411 -44.088 1.00 21.81 N
ATOM 98 CA GLY A 12 25.910 -33.288 -44.790 1.00 23.95 C
ATOM 99 C GLY A 12 26.019 -33.113 -46.301 1.00 26.38 C
ATOM 100 O GLY A 12 26.891 -32.384 -46.784 1.00 21.44 O
ATOM 101 N LEU A 13 25.140 -33.781 -47.049 1.00 18.93 N
ATOM 102 CA LEU A 13 25.131 -33.699 -48.510 1.00 22.20 C
ATOM 103 C LEU A 13 23.701 -33.722 -49.033 1.00 24.24 C
ATOM 104 O LEU A 13 23.016 -34.737 -48.931 1.00 22.14 O
ATOM 105 CB LEU A 13 25.900 -34.878 -49.126 1.00 25.72 C
ATOM 106 CG LEU A 13 25.787 -35.035 -50.652 1.00 25.17 C
ATOM 107 CD1 LEU A 13 26.447 -33.849 -51.353 1.00 24.58 C
ATOM 108 CD2 LEU A 13 26.449 -36.332 -51.092 1.00 30.50 C
ATOM 109 N ARG A 14 23.256 -32.601 -49.588 1.00 26.34 N
ATOM 110 CA ARG A 14 21.914 -32.502 -50.142 1.00 27.66 C
ATOM 111 C ARG A 14 22.046 -32.003 -51.579 1.00 35.04 C
ATOM 112 O ARG A 14 22.708 -31.000 -51.840 1.00 30.70 O
ATOM 113 CB ARG A 14 21.061 -31.556 -49.289 1.00 24.44 C
ATOM 114 CG ARG A 14 20.922 -32.034 -47.843 1.00 45.66 C
ATOM 115 CD ARG A 14 19.733 -31.413 -47.114 1.00 53.26 C
ATOM 116 NE ARG A 14 18.458 -31.704 -47.766 1.00 59.75 N
ATOM 117 CZ ARG A 14 18.031 -32.924 -48.085 1.00 66.70 C
ATOM 118 NH1 ARG A 14 18.775 -33.989 -47.816 1.00 65.64 N
ATOM 119 NH2 ARG A 14 16.852 -33.084 -48.676 1.00 66.38 N
ATOM 120 N LEU A 15 21.430 -32.725 -52.510 1.00 29.90 N
ATOM 121 CA LEU A 15 21.512 -32.387 -53.923 1.00 28.02 C
ATOM 122 C LEU A 15 20.457 -31.408 -54.409 1.00 26.50 C
ATOM 123 O LEU A 15 20.401 -31.090 -55.593 1.00 33.06 O
ATOM 124 CB LEU A 15 21.465 -33.665 -54.760 1.00 28.69 C
ATOM 125 CG LEU A 15 22.636 -34.624 -54.533 1.00 29.78 C
ATOM 126 CD1 LEU A 15 22.493 -35.833 -55.448 1.00 33.35 C
ATOM 127 CD2 LEU A 15 23.955 -33.894 -54.795 1.00 25.58 C
ATOM 128 N LYS A 16 19.627 -30.927 -53.490 1.00 27.53 N
ATOM 129 CA LYS A 16 18.590 -29.964 -53.829 1.00 27.88 C
ATOM 130 C LYS A 16 18.674 -28.782 -52.869 1.00 25.09 C
ATOM 131 O LYS A 16 18.964 -28.956 -51.688 1.00 28.84 O
ATOM 132 CB LYS A 16 17.207 -30.619 -53.735 1.00 38.81 C
ATOM 133 CG LYS A 16 16.052 -29.693 -54.088 1.00 58.19 C
ATOM 134 CD LYS A 16 16.146 -29.214 -55.531 1.00 76.67 C
ATOM 135 CE LYS A 16 14.981 -28.303 -55.906 1.00 80.35 C
ATOM 136 NZ LYS A 16 14.950 -27.052 -55.096 1.00 80.86 N
ATOM 137 N ILE A 17 18.433 -27.579 -53.377 1.00 27.87 N
ATOM 138 CA ILE A 17 18.488 -26.386 -52.543 1.00 27.58 C
ATOM 139 C ILE A 17 17.592 -26.506 -51.316 1.00 38.09 C
ATOM 140 O ILE A 17 16.447 -26.941 -51.413 1.00 36.32 O
ATOM 141 CB ILE A 17 18.060 -25.121 -53.325 1.00 23.95 C
ATOM 142 CG1 ILE A 17 19.185 -24.664 -54.256 1.00 29.34 C
ATOM 143 CG2 ILE A 17 17.748 -23.986 -52.359 1.00 22.43 C
ATOM 144 CD1 ILE A 17 19.692 -25.732 -55.205 1.00 32.64 C
ATOM 145 N TYR A 18 18.132 -26.117 -50.165 1.00 34.80 N
ATOM 146 CA TYR A 18 17.404 -26.147 -48.905 1.00 33.02 C
ATOM 147 C TYR A 18 17.907 -24.974 -48.071 1.00 35.64 C
ATOM 148 O TYR A 18 18.873 -24.313 -48.451 1.00 25.88 O
ATOM 149 CB TYR A 18 17.666 -27.461 -48.158 1.00 39.08 C
ATOM 150 CG TYR A 18 19.075 -27.599 -47.622 1.00 34.61 C
ATOM 151 CD1 TYR A 18 20.128 -27.989 -48.451 1.00 24.20 C
ATOM 152 CD2 TYR A 18 19.360 -27.315 -46.286 1.00 38.26 C
ATOM 153 CE1 TYR A 18 21.430 -28.096 -47.960 1.00 21.29 C
ATOM 154 CE2 TYR A 18 20.656 -27.414 -45.787 1.00 31.38 C
ATOM 155 CZ TYR A 18 21.684 -27.806 -46.626 1.00 32.31 C
ATOM 156 OH TYR A 18 22.961 -27.918 -46.124 1.00 31.84 O
ATOM 157 N LYS A 19 17.259 -24.708 -46.942 1.00 25.33 N
ATOM 158 CA LYS A 19 17.691 -23.611 -46.090 1.00 33.91 C
ATOM 159 C LYS A 19 18.224 -24.120 -44.755 1.00 40.66 C
ATOM 160 O LYS A 19 17.661 -25.035 -44.159 1.00 38.90 O
ATOM 161 CB LYS A 19 16.545 -22.619 -45.872 1.00 38.40 C
ATOM 162 CG LYS A 19 15.238 -23.233 -45.428 1.00 52.96 C
ATOM 163 CD LYS A 19 14.140 -22.177 -45.376 1.00 63.51 C
ATOM 164 CE LYS A 19 14.494 -21.051 -44.417 1.00 63.06 C
ATOM 165 NZ LYS A 19 13.431 -20.012 -44.361 1.00 70.60 N
ATOM 166 N ASP A 20 19.330 -23.533 -44.306 1.00 40.29 N
ATOM 167 CA ASP A 20 19.949 -23.921 -43.044 1.00 38.54 C
ATOM 168 C ASP A 20 19.327 -23.144 -41.884 1.00 37.58 C
ATOM 169 O ASP A 20 18.479 -22.276 -42.100 1.00 37.16 O
ATOM 170 CB ASP A 20 21.467 -23.682 -43.101 1.00 33.47 C
ATOM 171 CG ASP A 20 21.836 -22.208 -43.196 1.00 34.52 C
ATOM 172 OD1 ASP A 20 20.930 -21.352 -43.217 1.00 30.66 O
ATOM 173 OD2 ASP A 20 23.046 -21.903 -43.244 1.00 31.26 O
ATOM 174 N THR A 21 19.752 -23.452 -40.662 1.00 43.16 N
ATOM 175 CA THR A 21 19.220 -22.795 -39.467 1.00 48.32 C
ATOM 176 C THR A 21 19.339 -21.280 -39.464 1.00 49.56 C
ATOM 177 O THR A 21 18.521 -20.589 -38.856 1.00 49.63 O
ATOM 178 CB THR A 21 19.895 -23.318 -38.191 1.00 53.78 C
ATOM 179 OG1 THR A 21 21.319 -23.224 -38.325 1.00 59.76 O
ATOM 180 CG2 THR A 21 19.504 -24.749 -37.948 1.00 65.23 C
ATOM 181 N GLU A 22 20.363 -20.758 -40.128 1.00 42.04 N
ATOM 182 CA GLU A 22 20.546 -19.315 -40.183 1.00 41.74 C
ATOM 183 C GLU A 22 19.640 -18.703 -41.248 1.00 45.20 C
ATOM 184 O GLU A 22 19.686 -17.500 -41.501 1.00 43.66 O
ATOM 185 CB GLU A 22 22.006 -18.972 -40.478 1.00 39.81 C
ATOM 186 CG GLU A 22 22.968 -19.310 -39.348 1.00 51.25 C
ATOM 187 CD GLU A 22 22.588 -18.644 -38.039 1.00 54.95 C
ATOM 188 OE1 GLU A 22 22.308 -17.428 -38.048 1.00 53.22 O
ATOM 189 OE2 GLU A 22 22.577 -19.334 -36.999 1.00 62.71 O
ATOM 190 N GLY A 23 18.818 -19.543 -41.868 1.00 34.20 N
ATOM 191 CA GLY A 23 17.901 -19.068 -42.890 1.00 49.08 C
ATOM 192 C GLY A 23 18.548 -18.748 -44.224 1.00 50.10 C
ATOM 193 O GLY A 23 18.102 -17.845 -44.937 1.00 54.88 O
ATOM 194 N TYR A 24 19.601 -19.480 -44.569 1.00 37.84 N
ATOM 195 CA TYR A 24 20.280 -19.260 -45.836 1.00 27.18 C
ATOM 196 C TYR A 24 20.010 -20.408 -46.786 1.00 36.08 C
ATOM 197 O TYR A 24 20.050 -21.572 -46.390 1.00 33.51 O
ATOM 198 CB TYR A 24 21.796 -19.130 -45.638 1.00 28.64 C
ATOM 199 CG TYR A 24 22.243 -17.826 -45.021 1.00 41.02 C
ATOM 200 CD1 TYR A 24 21.868 -17.482 -43.725 1.00 54.14 C
ATOM 201 CD2 TYR A 24 23.032 -16.927 -45.741 1.00 42.46 C
ATOM 202 CE1 TYR A 24 22.268 -16.274 -43.155 1.00 57.58 C
ATOM 203 CE2 TYR A 24 23.440 -15.716 -45.180 1.00 50.02 C
ATOM 204 CZ TYR A 24 23.051 -15.396 -43.888 1.00 57.95 C
ATOM 205 OH TYR A 24 23.440 -14.201 -43.327 1.00 65.24 O
ATOM 206 N TYR A 25 19.705 -20.079 -48.036 1.00 30.15 N
ATOM 207 CA TYR A 25 19.482 -21.106 -49.040 1.00 32.39 C
ATOM 208 C TYR A 25 20.858 -21.719 -49.280 1.00 29.34 C
ATOM 209 O TYR A 25 21.844 -20.998 -49.438 1.00 24.86 O
ATOM 210 CB TYR A 25 18.947 -20.484 -50.328 1.00 39.53 C
ATOM 211 CG TYR A 25 17.502 -20.057 -50.231 1.00 44.42 C
ATOM 212 CD1 TYR A 25 16.495 -20.995 -50.008 1.00 45.16 C
ATOM 213 CD2 TYR A 25 17.137 -18.718 -50.367 1.00 50.96 C
ATOM 214 CE1 TYR A 25 15.162 -20.615 -49.925 1.00 54.75 C
ATOM 215 CE2 TYR A 25 15.802 -18.324 -50.287 1.00 54.38 C
ATOM 216 CZ TYR A 25 14.821 -19.278 -50.065 1.00 56.85 C
ATOM 217 OH TYR A 25 13.497 -18.902 -49.987 1.00 62.52 O
ATOM 218 N THR A 26 20.932 -23.044 -49.282 1.00 28.59 N
ATOM 219 CA THR A 26 22.202 -23.714 -49.485 1.00 26.04 C
ATOM 220 C THR A 26 22.028 -24.999 -50.279 1.00 24.95 C
ATOM 221 O THR A 26 20.907 -25.461 -50.512 1.00 27.53 O
ATOM 222 CB THR A 26 22.889 -24.041 -48.135 1.00 37.93 C
ATOM 223 OG1 THR A 26 22.563 -25.375 -47.741 1.00 50.62 O
ATOM 224 CG2 THR A 26 22.420 -23.084 -47.050 1.00 15.43 C
ATOM 225 N ILE A 27 23.148 -25.579 -50.691 1.00 20.44 N
ATOM 226 CA ILE A 27 23.117 -26.798 -51.476 1.00 21.90 C
ATOM 227 C ILE A 27 24.420 -27.581 -51.357 1.00 20.99 C
ATOM 228 O ILE A 27 25.436 -27.052 -50.906 1.00 21.65 O
ATOM 229 CB ILE A 27 22.856 -26.470 -52.968 1.00 31.67 C
ATOM 230 CG1 ILE A 27 22.637 -27.752 -53.765 1.00 34.02 C
ATOM 231 CG2 ILE A 27 24.051 -25.734 -53.560 1.00 25.48 C
ATOM 232 CD1 ILE A 27 21.608 -28.656 -53.178 1.00 32.64 C
ATOM 233 N GLY A 28 24.373 -28.848 -51.759 1.00 24.31 N
ATOM 234 CA GLY A 28 25.548 -29.697 -51.723 1.00 22.52 C
ATOM 235 C GLY A 28 26.082 -29.939 -50.332 1.00 22.17 C
ATOM 236 O GLY A 28 25.356 -30.395 -49.447 1.00 23.20 O
ATOM 237 N ILE A 29 27.361 -29.637 -50.141 1.00 17.25 N
ATOM 238 CA ILE A 29 28.001 -29.819 -48.848 1.00 20.82 C
ATOM 239 C ILE A 29 28.239 -28.465 -48.200 1.00 17.51 C
ATOM 240 O ILE A 29 29.357 -27.941 -48.200 1.00 21.66 O
ATOM 241 CB ILE A 29 29.338 -30.569 -49.001 1.00 20.16 C
ATOM 242 CG1 ILE A 29 29.096 -31.878 -49.755 1.00 21.49 C
ATOM 243 CG2 ILE A 29 29.932 -30.874 -47.627 1.00 20.37 C
ATOM 244 CD1 ILE A 29 30.356 -32.581 -50.200 1.00 32.64 C
ATOM 245 N GLY A 30 27.165 -27.893 -47.661 1.00 19.70 N
ATOM 246 CA GLY A 30 27.256 -26.602 -47.007 1.00 23.95 C
ATOM 247 C GLY A 30 27.594 -25.421 -47.904 1.00 25.97 C
ATOM 248 O GLY A 30 28.157 -24.432 -47.427 1.00 21.19 O
ATOM 249 N HIS A 31 27.271 -25.498 -49.193 1.00 21.77 N
ATOM 250 CA HIS A 31 27.571 -24.367 -50.069 1.00 21.81 C
ATOM 251 C HIS A 31 26.454 -23.326 -49.985 1.00 22.39 C
ATOM 252 O HIS A 31 25.342 -23.562 -50.459 1.00 21.72 O
ATOM 253 CB HIS A 31 27.735 -24.807 -51.526 1.00 22.36 C
ATOM 254 CG HIS A 31 28.107 -23.681 -52.445 1.00 25.48 C
ATOM 255 ND1 HIS A 31 29.391 -23.192 -52.536 1.00 18.94 N
ATOM 256 CD2 HIS A 31 27.341 -22.885 -53.232 1.00 24.05 C
ATOM 257 CE1 HIS A 31 29.402 -22.137 -53.338 1.00 23.20 C
ATOM 258 NE2 HIS A 31 28.174 -21.930 -53.770 1.00 27.27 N
ATOM 259 N LEU A 32 26.760 -22.179 -49.385 1.00 22.93 N
ATOM 260 CA LEU A 32 25.796 -21.092 -49.219 1.00 26.76 C
ATOM 261 C LEU A 32 25.486 -20.361 -50.526 1.00 27.88 C
ATOM 262 O LEU A 32 26.389 -20.057 -51.305 1.00 22.38 O
ATOM 263 CB LEU A 32 26.316 -20.073 -48.203 1.00 26.05 C
ATOM 264 CG LEU A 32 26.534 -20.512 -46.755 1.00 41.83 C
ATOM 265 CD1 LEU A 32 26.956 -19.297 -45.945 1.00 48.11 C
ATOM 266 CD2 LEU A 32 25.255 -21.124 -46.181 1.00 46.75 C
ATOM 267 N LEU A 33 24.211 -20.061 -50.746 1.00 18.39 N
ATOM 268 CA LEU A 33 23.789 -19.367 -51.959 1.00 26.87 C
ATOM 269 C LEU A 33 23.295 -17.941 -51.702 1.00 33.49 C
ATOM 270 O LEU A 33 23.926 -16.973 -52.123 1.00 34.32 O
ATOM 271 CB LEU A 33 22.697 -20.177 -52.661 1.00 20.62 C
ATOM 272 CG LEU A 33 23.145 -21.533 -53.218 1.00 28.18 C
ATOM 273 CD1 LEU A 33 21.935 -22.338 -53.689 1.00 28.70 C
ATOM 274 CD2 LEU A 33 24.135 -21.304 -54.358 1.00 23.11 C
ATOM 275 N THR A 34 22.168 -17.819 -51.012 1.00 34.09 N
ATOM 276 CA THR A 34 21.578 -16.519 -50.713 1.00 42.98 C
ATOM 277 C THR A 34 20.702 -16.619 -49.469 1.00 45.69 C
ATOM 278 O THR A 34 20.320 -17.713 -49.061 1.00 39.71 O
ATOM 279 CB THR A 34 20.696 -16.032 -51.886 1.00 43.30 C
ATOM 280 OG1 THR A 34 21.490 -15.941 -53.075 1.00 57.39 O
ATOM 281 CG2 THR A 34 20.094 -14.668 -51.582 1.00 59.21 C
ATOM 282 N LYS A 35 20.394 -15.477 -48.863 1.00 48.19 N
ATOM 283 CA LYS A 35 19.542 -15.455 -47.682 1.00 50.46 C
ATOM 284 C LYS A 35 18.094 -15.615 -48.129 1.00 49.83 C
ATOM 285 O LYS A 35 17.769 -15.394 -49.297 1.00 50.01 O
ATOM 286 CB LYS A 35 19.699 -14.135 -46.930 1.00 56.16 C
ATOM 287 CG LYS A 35 21.113 -13.838 -46.485 1.00 72.18 C
ATOM 288 CD LYS A 35 21.178 -12.553 -45.678 1.00 81.34 C
ATOM 289 CE LYS A 35 22.607 -12.220 -45.284 1.00 91.93 C
ATOM 290 NZ LYS A 35 22.685 -10.998 -44.435 1.00 97.12 N
ATOM 291 N SER A 36 17.230 -16.001 -47.198 1.00 52.03 N
ATOM 292 CA SER A 36 15.815 -16.187 -47.495 1.00 54.94 C
ATOM 293 C SER A 36 14.990 -15.139 -46.757 1.00 53.28 C
ATOM 294 O SER A 36 15.373 -14.685 -45.679 1.00 55.86 O
ATOM 295 CB SER A 36 15.363 -17.585 -47.067 1.00 52.75 C
ATOM 296 OG SER A 36 15.546 -17.778 -45.675 1.00 67.20 O
ATOM 297 N PRO A 37 13.850 -14.734 -47.337 1.00 57.41 N
ATOM 298 CA PRO A 37 12.970 -13.733 -46.724 1.00 64.19 C
ATOM 299 C PRO A 37 12.312 -14.283 -45.460 1.00 66.48 C
ATOM 300 O PRO A 37 12.548 -15.431 -45.080 1.00 66.56 O
ATOM 301 CB PRO A 37 11.946 -13.454 -47.826 1.00 60.60 C
ATOM 302 CG PRO A 37 12.696 -13.758 -49.080 1.00 60.22 C
ATOM 303 CD PRO A 37 13.417 -15.028 -48.711 1.00 56.46 C
ATOM 304 N SER A 38 11.484 -13.465 -44.816 1.00 70.89 N
ATOM 305 CA SER A 38 10.789 -13.883 -43.602 1.00 72.70 C
ATOM 306 C SER A 38 9.877 -15.064 -43.915 1.00 71.50 C
ATOM 307 O SER A 38 9.590 -15.344 -45.078 1.00 67.07 O
ATOM 308 CB SER A 38 9.953 -12.730 -43.043 1.00 76.09 C
ATOM 309 OG SER A 38 10.763 -11.606 -42.754 1.00 83.54 O
ATOM 310 N ILE A 39 9.425 -15.762 -42.879 1.00 70.48 N
ATOM 311 CA ILE A 39 8.540 -16.902 -43.079 1.00 71.11 C
ATOM 312 C ILE A 39 7.185 -16.403 -43.568 1.00 76.76 C
ATOM 313 O ILE A 39 6.406 -17.155 -44.159 1.00 79.34 O
ATOM 314 CB ILE A 39 8.361 -17.723 -41.779 1.00 66.46 C
ATOM 315 CG1 ILE A 39 7.812 -16.837 -40.655 1.00 68.94 C
ATOM 316 CG2 ILE A 39 9.688 -18.359 -41.392 1.00 61.20 C
ATOM 317 CD1 ILE A 39 8.770 -15.758 -40.161 1.00 32.64 C
ATOM 318 N ASN A 40 6.914 -15.126 -43.311 1.00 80.84 N
ATOM 319 CA ASN A 40 5.676 -14.493 -43.747 1.00 83.95 C
ATOM 320 C ASN A 40 6.047 -13.774 -45.039 1.00 85.29 C
ATOM 321 O ASN A 40 5.298 -13.785 -46.017 1.00 83.91 O
ATOM 322 CB ASN A 40 5.193 -13.478 -42.708 1.00 82.92 C
ATOM 323 CG ASN A 40 5.062 -14.077 -41.321 1.00 81.72 C
ATOM 324 OD1 ASN A 40 4.330 -15.046 -41.114 1.00 79.02 O
ATOM 325 ND2 ASN A 40 5.769 -13.495 -40.358 1.00 79.64 N
ATOM 326 N ALA A 41 7.228 -13.160 -45.012 1.00 84.33 N
ATOM 327 CA ALA A 41 7.797 -12.427 -46.140 1.00 82.01 C
ATOM 328 C ALA A 41 6.775 -11.871 -47.118 1.00 80.87 C
ATOM 329 O ALA A 41 6.182 -10.819 -46.885 1.00 85.01 O
ATOM 330 CB ALA A 41 8.780 -13.320 -46.884 1.00 81.64 C
ATOM 331 N ALA A 42 6.590 -12.588 -48.222 1.00 80.04 N
ATOM 332 CA ALA A 42 5.655 -12.196 -49.268 1.00 74.80 C
ATOM 333 C ALA A 42 5.760 -13.210 -50.394 1.00 71.36 C
ATOM 334 O ALA A 42 6.849 -13.474 -50.900 1.00 66.71 O
ATOM 335 CB ALA A 42 5.998 -10.806 -49.785 1.00 76.62 C
ATOM 336 N LYS A 43 4.623 -13.777 -50.780 1.00 68.40 N
ATOM 337 CA LYS A 43 4.585 -14.772 -51.842 1.00 70.80 C
ATOM 338 C LYS A 43 5.443 -14.364 -53.035 1.00 71.50 C
ATOM 339 O LYS A 43 5.946 -15.216 -53.768 1.00 69.22 O
ATOM 340 CB LYS A 43 3.144 -14.986 -52.298 1.00 68.80 C
ATOM 341 CG LYS A 43 2.989 -15.995 -53.419 1.00 76.18 C
ATOM 342 CD LYS A 43 1.652 -15.807 -54.110 1.00 75.63 C
ATOM 343 CE LYS A 43 1.566 -14.420 -54.733 1.00 79.00 C
ATOM 344 NZ LYS A 43 0.245 -14.156 -55.360 1.00 81.95 N
ATOM 345 N SER A 44 5.600 -13.059 -53.230 1.00 71.34 N
ATOM 346 CA SER A 44 6.403 -12.544 -54.333 1.00 72.82 C
ATOM 347 C SER A 44 7.876 -12.568 -53.952 1.00 70.76 C
ATOM 348 O SER A 44 8.704 -13.134 -54.667 1.00 72.92 O
ATOM 349 CB SER A 44 5.985 -11.114 -54.675 1.00 75.37 C
ATOM 350 OG SER A 44 6.759 -10.608 -55.747 1.00 81.11 O
ATOM 351 N GLU A 45 8.196 -11.941 -52.824 1.00 70.28 N
ATOM 352 CA GLU A 45 9.567 -11.900 -52.330 1.00 68.79 C
ATOM 353 C GLU A 45 10.116 -13.316 -52.252 1.00 69.10 C
ATOM 354 O GLU A 45 11.314 -13.544 -52.421 1.00 69.55 O
ATOM 355 CB GLU A 45 9.610 -11.252 -50.943 1.00 72.74 C
ATOM 356 CG GLU A 45 9.505 -9.740 -50.963 1.00 86.06 C
ATOM 357 CD GLU A 45 10.742 -9.087 -51.548 1.00 93.00 C
ATOM 358 OE1 GLU A 45 11.834 -9.263 -50.967 1.00 95.47 O
ATOM 359 OE2 GLU A 45 10.627 -8.401 -52.587 1.00 97.23 O
ATOM 360 N LEU A 46 9.224 -14.267 -51.996 1.00 69.53 N
ATOM 361 CA LEU A 46 9.600 -15.669 -51.894 1.00 70.23 C
ATOM 362 C LEU A 46 10.154 -16.173 -53.222 1.00 65.56 C
ATOM 363 O LEU A 46 11.296 -16.622 -53.292 1.00 62.23 O
ATOM 364 CB LEU A 46 8.389 -16.509 -51.488 1.00 74.47 C
ATOM 365 CG LEU A 46 8.636 -18.005 -51.289 1.00 85.57 C
ATOM 366 CD1 LEU A 46 9.638 -18.213 -50.164 1.00 90.00 C
ATOM 367 CD2 LEU A 46 7.322 -18.700 -50.970 1.00 86.95 C
ATOM 368 N ASP A 47 9.340 -16.096 -54.272 1.00 64.80 N
ATOM 369 CA ASP A 47 9.756 -16.548 -55.596 1.00 66.89 C
ATOM 370 C ASP A 47 10.994 -15.792 -56.061 1.00 62.30 C
ATOM 371 O ASP A 47 11.885 -16.363 -56.689 1.00 60.84 O
ATOM 372 CB ASP A 47 8.625 -16.350 -56.609 1.00 74.82 C
ATOM 373 CG ASP A 47 7.390 -17.159 -56.269 1.00 83.89 C
ATOM 374 OD1 ASP A 47 7.487 -18.403 -56.206 1.00 82.87 O
ATOM 375 OD2 ASP A 47 6.319 -16.548 -56.067 1.00 89.93 O
ATOM 376 N LYS A 48 11.040 -14.502 -55.748 1.00 57.12 N
ATOM 377 CA LYS A 48 12.172 -13.667 -56.126 1.00 59.77 C
ATOM 378 C LYS A 48 13.430 -14.216 -55.459 1.00 60.21 C
ATOM 379 O LYS A 48 14.456 -14.421 -56.108 1.00 58.57 O
ATOM 380 CB LYS A 48 11.936 -12.223 -55.672 1.00 54.96 C
ATOM 381 CG LYS A 48 12.939 -11.221 -56.229 1.00 64.50 C
ATOM 382 CD LYS A 48 12.823 -9.861 -55.544 1.00 61.25 C
ATOM 383 CE LYS A 48 13.531 -9.841 -54.187 1.00 65.90 C
ATOM 384 NZ LYS A 48 13.038 -10.871 -53.225 1.00 55.57 N
ATOM 385 N ALA A 49 13.334 -14.458 -54.156 1.00 57.17 N
ATOM 386 CA ALA A 49 14.453 -14.977 -53.380 1.00 55.24 C
ATOM 387 C ALA A 49 14.893 -16.351 -53.866 1.00 52.69 C
ATOM 388 O ALA A 49 16.087 -16.661 -53.872 1.00 48.49 O
ATOM 389 CB ALA A 49 14.076 -15.046 -51.910 1.00 56.08 C
ATOM 390 N ILE A 50 13.931 -17.177 -54.263 1.00 45.85 N
ATOM 391 CA ILE A 50 14.247 -18.515 -54.746 1.00 46.83 C
ATOM 392 C ILE A 50 15.024 -18.411 -56.047 1.00 44.45 C
ATOM 393 O ILE A 50 16.024 -19.103 -56.246 1.00 40.12 O
ATOM 394 CB ILE A 50 12.973 -19.345 -54.998 1.00 42.07 C
ATOM 395 CG1 ILE A 50 12.156 -19.452 -53.709 1.00 50.22 C
ATOM 396 CG2 ILE A 50 13.349 -20.731 -55.514 1.00 40.05 C
ATOM 397 CD1 ILE A 50 12.875 -20.151 -52.583 1.00 32.64 C
ATOM 398 N ASN A 51 14.551 -17.543 -56.933 1.00 45.60 N
ATOM 399 CA ASN A 51 15.205 -17.335 -58.214 1.00 45.62 C
ATOM 400 C ASN A 51 16.594 -16.750 -57.991 1.00 33.75 C
ATOM 401 O ASN A 51 17.524 -17.044 -58.731 1.00 30.27 O
ATOM 402 CB ASN A 51 14.365 -16.398 -59.083 1.00 59.63 C
ATOM 403 CG ASN A 51 13.052 -17.024 -59.509 1.00 70.36 C
ATOM 404 OD1 ASN A 51 12.189 -16.357 -60.078 1.00 82.67 O
ATOM 405 ND2 ASN A 51 12.899 -18.317 -59.242 1.00 73.47 N
ATOM 406 N ALA A 52 16.732 -15.919 -56.965 1.00 30.29 N
ATOM 407 CA ALA A 52 18.022 -15.325 -56.657 1.00 31.02 C
ATOM 408 C ALA A 52 18.995 -16.451 -56.305 1.00 33.16 C
ATOM 409 O ALA A 52 20.140 -16.462 -56.760 1.00 35.48 O
ATOM 410 CB ALA A 52 17.890 -14.359 -55.489 1.00 34.92 C
ATOM 411 N ALA A 53 18.529 -17.402 -55.499 1.00 30.51 N
ATOM 412 CA ALA A 53 19.354 -18.535 -55.091 1.00 32.10 C
ATOM 413 C ALA A 53 19.676 -19.419 -56.290 1.00 31.58 C
ATOM 414 O ALA A 53 20.804 -19.890 -56.442 1.00 30.47 O
ATOM 415 CB ALA A 53 18.635 -19.346 -54.021 1.00 29.89 C
ATOM 416 N LYS A 54 18.682 -19.641 -57.142 1.00 29.85 N
ATOM 417 CA LYS A 54 18.876 -20.464 -58.332 1.00 29.50 C
ATOM 418 C LYS A 54 19.896 -19.849 -59.294 1.00 35.03 C
ATOM 419 O LYS A 54 20.704 -20.563 -59.887 1.00 30.26 O
ATOM 420 CB LYS A 54 17.548 -20.668 -59.064 1.00 36.01 C
ATOM 421 CG LYS A 54 16.496 -21.402 -58.253 1.00 39.47 C
ATOM 422 CD LYS A 54 15.283 -21.727 -59.109 1.00 51.65 C
ATOM 423 CE LYS A 54 14.294 -22.605 -58.360 1.00 54.79 C
ATOM 424 NZ LYS A 54 13.156 -23.006 -59.232 1.00 59.32 N
ATOM 425 N SER A 55 19.856 -18.528 -59.455 1.00 35.65 N
ATOM 426 CA SER A 55 20.798 -17.859 -60.351 1.00 39.37 C
ATOM 427 C SER A 55 22.221 -17.987 -59.811 1.00 30.08 C
ATOM 428 O SER A 55 23.175 -18.107 -60.578 1.00 33.05 O
ATOM 429 CB SER A 55 20.431 -16.382 -60.521 1.00 37.98 C
ATOM 430 OG SER A 55 20.413 -15.714 -59.274 1.00 58.08 O
ATOM 431 N GLU A 56 22.361 -17.962 -58.489 1.00 33.32 N
ATOM 432 CA GLU A 56 23.673 -18.104 -57.866 1.00 31.46 C
ATOM 433 C GLU A 56 24.229 -19.488 -58.165 1.00 26.11 C
ATOM 434 O GLU A 56 25.418 -19.646 -58.446 1.00 33.04 O
ATOM 435 CB GLU A 56 23.576 -17.914 -56.350 1.00 33.13 C
ATOM 436 CG GLU A 56 23.394 -16.475 -55.919 1.00 34.88 C
ATOM 437 CD GLU A 56 24.582 -15.607 -56.291 1.00 42.46 C
ATOM 438 OE1 GLU A 56 25.665 -15.781 -55.691 1.00 35.37 O
ATOM 439 OE2 GLU A 56 24.434 -14.754 -57.188 1.00 39.08 O
ATOM 440 N LEU A 57 23.359 -20.492 -58.110 1.00 28.75 N
ATOM 441 CA LEU A 57 23.768 -21.866 -58.373 1.00 27.00 C
ATOM 442 C LEU A 57 24.207 -22.054 -59.823 1.00 25.73 C
ATOM 443 O LEU A 57 25.237 -22.676 -60.088 1.00 26.12 O
ATOM 444 CB LEU A 57 22.626 -22.830 -58.047 1.00 30.34 C
ATOM 445 CG LEU A 57 22.944 -24.325 -58.158 1.00 30.75 C
ATOM 446 CD1 LEU A 57 24.114 -24.687 -57.244 1.00 33.63 C
ATOM 447 CD2 LEU A 57 21.709 -25.131 -57.789 1.00 26.50 C
ATOM 448 N ASP A 58 23.430 -21.524 -60.763 1.00 25.57 N
ATOM 449 CA ASP A 58 23.787 -21.656 -62.172 1.00 26.08 C
ATOM 450 C ASP A 58 25.123 -20.977 -62.432 1.00 22.18 C
ATOM 451 O ASP A 58 25.928 -21.458 -63.226 1.00 32.15 O
ATOM 452 CB ASP A 58 22.727 -21.020 -63.077 1.00 34.65 C
ATOM 453 CG ASP A 58 21.384 -21.711 -62.980 1.00 40.68 C
ATOM 454 OD1 ASP A 58 21.355 -22.944 -62.771 1.00 36.77 O
ATOM 455 OD2 ASP A 58 20.358 -21.016 -63.131 1.00 30.13 O
ATOM 456 N LYS A 59 25.332 -19.846 -61.765 1.00 28.99 N
ATOM 457 CA LYS A 59 26.561 -19.067 -61.883 1.00 28.98 C
ATOM 458 C LYS A 59 27.738 -19.890 -61.356 1.00 29.65 C
ATOM 459 O LYS A 59 28.785 -19.990 -61.998 1.00 23.02 O
ATOM 460 CB LYS A 59 26.412 -17.761 -61.082 1.00 31.64 C
ATOM 461 CG LYS A 59 27.653 -16.875 -61.027 1.00 30.42 C
ATOM 462 CD LYS A 59 27.327 -15.460 -60.550 1.00 34.09 C
ATOM 463 CE LYS A 59 26.813 -15.407 -59.117 1.00 32.43 C
ATOM 464 NZ LYS A 59 27.873 -15.658 -58.107 1.00 33.66 N
ATOM 465 N ALA A 60 27.547 -20.501 -60.192 1.00 25.32 N
ATOM 466 CA ALA A 60 28.593 -21.310 -59.579 1.00 24.20 C
ATOM 467 C ALA A 60 28.928 -22.551 -60.404 1.00 22.55 C
ATOM 468 O ALA A 60 30.098 -22.898 -60.576 1.00 27.06 O
ATOM 469 CB ALA A 60 28.167 -21.714 -58.166 1.00 21.07 C
ATOM 470 N ILE A 61 27.893 -23.213 -60.910 1.00 26.80 N
ATOM 471 CA ILE A 61 28.047 -24.426 -61.708 1.00 28.59 C
ATOM 472 C ILE A 61 28.348 -24.137 -63.175 1.00 30.90 C
ATOM 473 O ILE A 61 29.029 -24.919 -63.839 1.00 27.94 O
ATOM 474 CB ILE A 61 26.759 -25.293 -61.639 1.00 35.30 C
ATOM 475 CG1 ILE A 61 26.587 -25.857 -60.225 1.00 34.79 C
ATOM 476 CG2 ILE A 61 26.807 -26.404 -62.683 1.00 27.23 C
ATOM 477 CD1 ILE A 61 27.698 -26.795 -59.789 1.00 32.64 C
ATOM 478 N GLY A 62 27.831 -23.018 -63.675 1.00 28.60 N
ATOM 479 CA GLY A 62 28.041 -22.657 -65.067 1.00 35.65 C
ATOM 480 C GLY A 62 27.048 -23.352 -65.987 1.00 35.40 C
ATOM 481 O GLY A 62 27.405 -23.801 -67.076 1.00 39.40 O
ATOM 482 N ALA A 63 25.795 -23.442 -65.551 1.00 37.11 N
ATOM 483 CA ALA A 63 24.749 -24.086 -66.341 1.00 34.99 C
ATOM 484 C ALA A 63 23.389 -23.915 -65.683 1.00 35.73 C
ATOM 485 O ALA A 63 23.299 -23.456 -64.545 1.00 32.77 O
ATOM 486 CB ALA A 63 25.056 -25.565 -66.506 1.00 27.99 C
ATOM 487 N ASN A 64 22.336 -24.276 -66.416 1.00 38.78 N
ATOM 488 CA ASN A 64 20.966 -24.192 -65.914 1.00 40.68 C
ATOM 489 C ASN A 64 20.685 -25.436 -65.097 1.00 32.08 C
ATOM 490 O ASN A 64 20.350 -26.482 -65.644 1.00 34.98 O
ATOM 491 CB ASN A 64 19.970 -24.111 -67.071 1.00 45.73 C
ATOM 492 CG ASN A 64 19.554 -22.695 -67.374 1.00 61.96 C
ATOM 493 OD1 ASN A 64 20.394 -21.828 -67.622 1.00 63.16 O
ATOM 494 ND2 ASN A 64 18.248 -22.446 -67.355 1.00 57.35 N
ATOM 495 N THR A 65 20.821 -25.316 -63.784 1.00 38.42 N
ATOM 496 CA THR A 65 20.613 -26.443 -62.886 1.00 34.16 C
ATOM 497 C THR A 65 19.177 -26.543 -62.385 1.00 41.23 C
ATOM 498 O THR A 65 18.708 -27.626 -62.036 1.00 45.00 O
ATOM 499 CB THR A 65 21.525 -26.326 -61.663 1.00 31.52 C
ATOM 500 OG1 THR A 65 21.039 -25.284 -60.813 1.00 28.12 O
ATOM 501 CG2 THR A 65 22.949 -25.980 -62.088 1.00 37.14 C
ATOM 502 N ASN A 66 18.492 -25.406 -62.335 1.00 35.71 N
ATOM 503 CA ASN A 66 17.116 -25.369 -61.862 1.00 42.65 C
ATOM 504 C ASN A 66 17.056 -25.735 -60.377 1.00 43.77 C
ATOM 505 O ASN A 66 16.028 -26.196 -59.882 1.00 38.19 O
ATOM 506 CB ASN A 66 16.254 -26.333 -62.689 1.00 52.39 C
ATOM 507 CG ASN A 66 14.795 -26.312 -62.282 1.00 50.53 C
ATOM 508 OD1 ASN A 66 14.198 -25.247 -62.125 1.00 50.07 O
ATOM 509 ND2 ASN A 66 14.207 -27.495 -62.119 1.00 56.54 N
ATOM 510 N GLY A 67 18.167 -25.531 -59.673 1.00 38.65 N
ATOM 511 CA GLY A 67 18.213 -25.832 -58.250 1.00 35.14 C
ATOM 512 C GLY A 67 18.586 -27.265 -57.900 1.00 35.16 C
ATOM 513 O GLY A 67 18.376 -27.706 -56.770 1.00 35.25 O
ATOM 514 N VAL A 68 19.144 -27.995 -58.860 1.00 32.51 N
ATOM 515 CA VAL A 68 19.534 -29.381 -58.630 1.00 35.07 C
ATOM 516 C VAL A 68 20.886 -29.677 -59.266 1.00 32.81 C
ATOM 517 O VAL A 68 21.125 -29.345 -60.428 1.00 34.57 O
ATOM 518 CB VAL A 68 18.492 -30.369 -59.217 1.00 39.92 C
ATOM 519 CG1 VAL A 68 18.894 -31.797 -58.896 1.00 34.46 C
ATOM 520 CG2 VAL A 68 17.108 -30.068 -58.658 1.00 40.78 C
ATOM 521 N AILE A 69 21.770 -30.309 -58.501 0.50 33.03 N
ATOM 522 N BILE A 69 21.768 -30.303 -58.492 0.50 33.03 N
ATOM 523 CA AILE A 69 23.095 -30.654 -59.001 0.50 29.87 C
ATOM 524 CA BILE A 69 23.101 -30.647 -58.970 0.50 29.87 C
ATOM 525 C AILE A 69 23.387 -32.115 -58.713 0.50 27.59 C
ATOM 526 C BILE A 69 23.405 -32.108 -58.682 0.50 27.59 C
ATOM 527 O AILE A 69 22.625 -32.782 -58.017 0.50 31.14 O
ATOM 528 O BILE A 69 22.665 -32.769 -57.957 0.50 31.14 O
ATOM 529 CB AILE A 69 24.202 -29.790 -58.345 0.50 29.20 C
ATOM 530 CB BILE A 69 24.180 -29.770 -58.293 0.50 29.20 C
ATOM 531 CG1AILE A 69 24.402 -30.195 -56.881 0.50 28.25 C
ATOM 532 CG1BILE A 69 24.090 -29.908 -56.771 0.50 28.25 C
ATOM 533 CG2AILE A 69 23.841 -28.318 -58.451 0.50 24.20 C
ATOM 534 CG2BILE A 69 24.006 -28.318 -58.713 0.50 24.20 C
ATOM 535 CD1AILE A 69 23.189 -30.003 -56.011 0.50 32.64 C
ATOM 536 CD1BILE A 69 25.123 -29.092 -56.013 0.50 28.43 C
ATOM 537 N THR A 70 24.496 -32.609 -59.254 1.00 27.48 N
ATOM 538 CA THR A 70 24.892 -33.994 -59.046 1.00 28.88 C
ATOM 539 C THR A 70 25.914 -34.064 -57.917 1.00 28.41 C
ATOM 540 O THR A 70 26.434 -33.040 -57.474 1.00 27.46 O
ATOM 541 CB THR A 70 25.538 -34.596 -60.310 1.00 33.28 C
ATOM 542 OG1 THR A 70 26.781 -33.931 -60.574 1.00 31.49 O
ATOM 543 CG2 THR A 70 24.610 -34.438 -61.512 1.00 33.71 C
ATOM 544 N LYS A 71 26.203 -35.277 -57.461 1.00 27.90 N
ATOM 545 CA LYS A 71 27.174 -35.465 -56.395 1.00 31.29 C
ATOM 546 C LYS A 71 28.537 -34.920 -56.820 1.00 29.85 C
ATOM 547 O LYS A 71 29.218 -34.266 -56.031 1.00 25.34 O
ATOM 548 CB LYS A 71 27.301 -36.949 -56.031 1.00 31.95 C
ATOM 549 CG LYS A 71 28.344 -37.217 -54.949 1.00 25.83 C
ATOM 550 CD LYS A 71 28.443 -38.687 -54.567 1.00 41.95 C
ATOM 551 CE LYS A 71 27.205 -39.159 -53.827 1.00 53.25 C
ATOM 552 NZ LYS A 71 27.335 -40.577 -53.374 1.00 68.19 N
ATOM 553 N ASP A 72 28.932 -35.180 -58.065 1.00 28.26 N
ATOM 554 CA ASP A 72 30.224 -34.699 -58.553 1.00 31.17 C
ATOM 555 C ASP A 72 30.290 -33.180 -58.493 1.00 27.44 C
ATOM 556 O ASP A 72 31.318 -32.606 -58.138 1.00 29.27 O
ATOM 557 CB ASP A 72 30.475 -35.152 -59.992 1.00 31.79 C
ATOM 558 CG ASP A 72 30.615 -36.653 -60.118 1.00 40.61 C
ATOM 559 OD1 ASP A 72 31.295 -37.270 -59.273 1.00 32.12 O
ATOM 560 OD2 ASP A 72 30.051 -37.217 -61.076 1.00 65.14 O
ATOM 561 N GLU A 73 29.187 -32.532 -58.845 1.00 26.06 N
ATOM 562 CA GLU A 73 29.128 -31.080 -58.819 1.00 30.42 C
ATOM 563 C GLU A 73 29.178 -30.588 -57.373 1.00 24.62 C
ATOM 564 O GLU A 73 29.828 -29.584 -57.077 1.00 23.62 O
ATOM 565 CB GLU A 73 27.855 -30.591 -59.524 1.00 26.65 C
ATOM 566 CG GLU A 73 27.739 -31.089 -60.973 1.00 37.28 C
ATOM 567 CD GLU A 73 26.495 -30.581 -61.700 1.00 29.85 C
ATOM 568 OE1 GLU A 73 25.416 -30.505 -61.074 1.00 28.33 O
ATOM 569 OE2 GLU A 73 26.595 -30.274 -62.907 1.00 32.29 O
ATOM 570 N ALA A 74 28.511 -31.300 -56.469 1.00 25.50 N
ATOM 571 CA ALA A 74 28.516 -30.901 -55.063 1.00 19.43 C
ATOM 572 C ALA A 74 29.951 -30.939 -54.545 1.00 17.45 C
ATOM 573 O ALA A 74 30.404 -30.015 -53.863 1.00 16.49 O
ATOM 574 CB ALA A 74 27.627 -31.836 -54.236 1.00 16.52 C
ATOM 575 N GLU A 75 30.671 -32.005 -54.882 1.00 18.46 N
ATOM 576 CA GLU A 75 32.057 -32.150 -54.451 1.00 25.64 C
ATOM 577 C GLU A 75 32.957 -31.121 -55.132 1.00 19.97 C
ATOM 578 O GLU A 75 33.964 -30.699 -54.570 1.00 20.34 O
ATOM 579 CB GLU A 75 32.550 -33.572 -54.735 1.00 21.42 C
ATOM 580 CG GLU A 75 31.648 -34.628 -54.115 1.00 25.81 C
ATOM 581 CD GLU A 75 32.159 -36.041 -54.291 1.00 31.58 C
ATOM 582 OE1 GLU A 75 32.657 -36.369 -55.391 1.00 38.15 O
ATOM 583 OE2 GLU A 75 32.045 -36.829 -53.329 1.00 31.85 O
ATOM 584 N LYS A 76 32.602 -30.713 -56.343 1.00 17.91 N
ATOM 585 CA LYS A 76 33.419 -29.717 -57.030 1.00 24.11 C
ATOM 586 C LYS A 76 33.309 -28.402 -56.258 1.00 22.67 C
ATOM 587 O LYS A 76 34.317 -27.763 -55.962 1.00 20.34 O
ATOM 588 CB LYS A 76 32.954 -29.528 -58.476 1.00 22.78 C
ATOM 589 CG LYS A 76 33.869 -28.631 -59.295 1.00 36.07 C
ATOM 590 CD LYS A 76 33.364 -28.481 -60.715 1.00 41.84 C
ATOM 591 CE LYS A 76 34.354 -27.716 -61.576 1.00 56.50 C
ATOM 592 NZ LYS A 76 35.649 -28.440 -61.695 1.00 66.62 N
ATOM 593 N LEU A 77 32.087 -28.000 -55.916 1.00 17.14 N
ATOM 594 CA LEU A 77 31.898 -26.766 -55.151 1.00 17.47 C
ATOM 595 C LEU A 77 32.557 -26.890 -53.771 1.00 16.66 C
ATOM 596 O LEU A 77 33.110 -25.924 -53.243 1.00 15.69 O
ATOM 597 CB LEU A 77 30.409 -26.463 -54.965 1.00 15.22 C
ATOM 598 CG LEU A 77 29.555 -26.147 -56.199 1.00 21.28 C
ATOM 599 CD1 LEU A 77 28.133 -25.839 -55.745 1.00 24.90 C
ATOM 600 CD2 LEU A 77 30.131 -24.958 -56.961 1.00 23.38 C
ATOM 601 N PHE A 78 32.492 -28.081 -53.191 1.00 18.68 N
ATOM 602 CA PHE A 78 33.073 -28.322 -51.870 1.00 16.15 C
ATOM 603 C PHE A 78 34.590 -28.099 -51.902 1.00 21.76 C
ATOM 604 O PHE A 78 35.147 -27.435 -51.025 1.00 17.74 O
ATOM 605 CB PHE A 78 32.728 -29.756 -51.428 1.00 23.55 C
ATOM 606 CG PHE A 78 33.149 -30.098 -50.016 1.00 20.71 C
ATOM 607 CD1 PHE A 78 32.966 -29.195 -48.971 1.00 15.25 C
ATOM 608 CD2 PHE A 78 33.679 -31.352 -49.727 1.00 21.94 C
ATOM 609 CE1 PHE A 78 33.304 -29.537 -47.658 1.00 22.65 C
ATOM 610 CE2 PHE A 78 34.022 -31.707 -48.416 1.00 27.28 C
ATOM 611 CZ PHE A 78 33.833 -30.798 -47.382 1.00 16.23 C
ATOM 612 N ASN A 79 35.258 -28.649 -52.913 1.00 17.99 N
ATOM 613 CA ASN A 79 36.708 -28.485 -53.033 1.00 24.73 C
ATOM 614 C ASN A 79 37.061 -27.011 -53.112 1.00 24.54 C
ATOM 615 O ASN A 79 38.012 -26.554 -52.477 1.00 21.72 O
ATOM 616 CB ASN A 79 37.247 -29.194 -54.285 1.00 26.34 C
ATOM 617 CG ASN A 79 37.346 -30.698 -54.113 1.00 37.14 C
ATOM 618 OD1 ASN A 79 37.742 -31.188 -53.056 1.00 47.23 O
ATOM 619 ND2 ASN A 79 37.005 -31.440 -55.162 1.00 41.78 N
ATOM 620 N GLN A 80 36.291 -26.280 -53.912 1.00 17.96 N
ATOM 621 CA GLN A 80 36.487 -24.845 -54.090 1.00 21.76 C
ATOM 622 C GLN A 80 36.267 -24.090 -52.787 1.00 17.16 C
ATOM 623 O GLN A 80 37.033 -23.181 -52.455 1.00 19.14 O
ATOM 624 CB GLN A 80 35.524 -24.305 -55.160 1.00 20.15 C
ATOM 625 CG GLN A 80 35.899 -24.707 -56.576 1.00 24.93 C
ATOM 626 CD GLN A 80 34.874 -24.300 -57.629 1.00 33.22 C
ATOM 627 OE1 GLN A 80 35.130 -24.426 -58.824 1.00 28.36 O
ATOM 628 NE2 GLN A 80 33.715 -23.820 -57.191 1.00 20.60 N
ATOM 629 N ASP A 81 35.228 -24.468 -52.046 1.00 17.36 N