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2AA1.pdb
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2AA1.pdb
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HEADER OXYGEN STORAGE/TRANSPORT 13-JUL-05 2AA1
TITLE CRYSTAL STRUCTURE OF THE CATHODIC HEMOGLOBIN ISOLATED FROM
TITLE 2 THE ANTARCTIC FISH TREMATOMUS NEWNESI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEMOGLOBIN ALPHA-1 CHAIN;
COMPND 3 CHAIN: A, C;
COMPND 4 MOL_ID: 2;
COMPND 5 MOLECULE: HEMOGLOBIN BETA-C CHAIN;
COMPND 6 CHAIN: B, D
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS NEWNESI;
SOURCE 3 ORGANISM_COMMON: DUSKY NOTOTHEN;
SOURCE 4 ORGANISM_TAXID: 35730;
SOURCE 5 MOL_ID: 2;
SOURCE 6 ORGANISM_SCIENTIFIC: TREMATOMUS NEWNESI;
SOURCE 7 ORGANISM_COMMON: DUSKY NOTOTHEN;
SOURCE 8 ORGANISM_TAXID: 35730
KEYWDS HEMOGLOBIN, ROOT EFFECT, COOPERATIVITY, ANTARCTIC FISH,
KEYWDS 2 OXYGEN STORAGE/TRANSPORT COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR L.MAZZARELLA,G.BONOMI,M.C.LUBRANO,A.MERLINO,A.RICCIO,
AUTHOR 2 A.VERGARA,L.VITAGLIANO,C.VERDE,G.DI PRISCO
REVDAT 3 24-FEB-09 2AA1 1 VERSN
REVDAT 2 24-JAN-06 2AA1 1 JRNL
REVDAT 1 02-AUG-05 2AA1 0
JRNL AUTH L.MAZZARELLA,G.BONOMI,M.C.LUBRANO,A.MERLINO,
JRNL AUTH 2 A.RICCIO,A.VERGARA,L.VITAGLIANO,C.VERDE,G.DI PRISCO
JRNL TITL MINIMAL STRUCTURAL REQUIREMENTS FOR ROOT EFFECT:
JRNL TITL 2 CRYSTAL STRUCTURE OF THE CATHODIC HEMOGLOBIN
JRNL TITL 3 ISOLATED FROM THE ANTARCTIC FISH TREMATOMUS NEWNESI
JRNL REF PROTEINS V. 62 316 2006
JRNL REFN ISSN 0887-3585
JRNL PMID 16299734
JRNL DOI 10.1002/PROT.20709
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH L.MAZZARELLA,R.D'AVINO,G.DI PRISCO,C.SAVINO,
REMARK 1 AUTH 2 L.VITAGLIANO,P.C.E.MOODY,A.ZAGARI
REMARK 1 TITL CRYSTAL STRUCTURE OF TREMATOMUS NEWNESI
REMARK 1 TITL 2 HAEMOGLOBIN RE-OPENS THE ROOT EFFECT QUESTION
REMARK 1 REF J.MOL.BIOL. V. 287 897 1999
REMARK 1 REFN ISSN 0022-2836
REMARK 1 PMID 10222199
REMARK 1 DOI 10.1006/JMBI.1999.2632
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 51907
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.186
REMARK 3 FREE R VALUE : 0.220
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : 4603
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 4540
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 172
REMARK 3 SOLVENT ATOMS : 369
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : NULL
REMARK 3 BOND ANGLES (DEGREES) : NULL
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2AA1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-JUL-05.
REMARK 100 THE RCSB ID CODE IS RCSB033672.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 07-APR-02
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.2
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : ESRF
REMARK 200 BEAMLINE : ID14-4
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.9393
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL
REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.88
REMARK 200 COMPLETENESS FOR SHELL (%) : 77.0
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: 1HBH
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 58.10
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.94
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 9-12%(W/V) PEG 6000, PHOSPHATE
REMARK 280 BUFFER, PH 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290
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: TETRAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 11860 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 24050 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -101.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 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 ASP A 76 82.29 -151.19
REMARK 500 VAL B 22 -53.26 -123.16
REMARK 500 ASP C 76 79.94 -150.78
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH B1206 DISTANCE = 11.86 ANGSTROMS
REMARK 525 HOH C1251 DISTANCE = 7.61 ANGSTROMS
REMARK 525 HOH C1292 DISTANCE = 11.82 ANGSTROMS
REMARK 525 HOH C1341 DISTANCE = 9.17 ANGSTROMS
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 200
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 400
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 600
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 800
DBREF 2AA1 A 1 142 UNP P45718 HBA1_TRENE 1 142
DBREF 2AA1 C 1 142 UNP P45718 HBA1_TRENE 1 142
DBREF 2AA1 B 1 146 UNP P45721 HBBC_TRENE 1 146
DBREF 2AA1 D 1 146 UNP P45721 HBBC_TRENE 1 146
SEQRES 1 A 143 ACE SER LEU SER ASP LYS ASP LYS ALA ALA VAL ARG ALA
SEQRES 2 A 143 LEU TRP SER LYS ILE GLY LYS SER SER ASP ALA ILE GLY
SEQRES 3 A 143 ASN ASP ALA LEU SER ARG MET ILE VAL VAL TYR PRO GLN
SEQRES 4 A 143 THR LYS ILE TYR PHE SER HIS TRP PRO ASP VAL THR PRO
SEQRES 5 A 143 GLY SER PRO ASN ILE LYS ALA HIS GLY LYS LYS VAL MET
SEQRES 6 A 143 GLY GLY ILE ALA LEU ALA VAL SER LYS ILE ASP ASP LEU
SEQRES 7 A 143 LYS THR GLY LEU MET GLU LEU SER GLU GLN HIS ALA TYR
SEQRES 8 A 143 LYS LEU ARG VAL ASP PRO SER ASN PHE LYS ILE LEU ASN
SEQRES 9 A 143 HIS CYS ILE LEU VAL VAL ILE SER THR MET PHE PRO LYS
SEQRES 10 A 143 GLU PHE THR PRO GLU ALA HIS VAL SER LEU ASP LYS PHE
SEQRES 11 A 143 LEU SER GLY VAL ALA LEU ALA LEU ALA GLU ARG TYR ARG
SEQRES 1 B 146 VAL GLU TRP THR ASP PHE GLU ARG ALA THR ILE LYS ASP
SEQRES 2 B 146 ILE PHE SER LYS LEU GLU TYR ASP VAL VAL GLY PRO ALA
SEQRES 3 B 146 THR LEU ALA ARG CYS LEU VAL VAL TYR PRO TRP THR GLN
SEQRES 4 B 146 ARG TYR PHE GLY LYS PHE GLY ASN LEU TYR ASN ALA ALA
SEQRES 5 B 146 ALA ILE ALA GLN ASN ALA MET VAL SER LYS HIS GLY THR
SEQRES 6 B 146 THR ILE LEU ASN GLY LEU ASP ARG ALA VAL LYS ASN MET
SEQRES 7 B 146 ASP ASP ILE THR ASN THR TYR ALA GLU LEU SER VAL LEU
SEQRES 8 B 146 HIS SER GLU LYS LEU HIS VAL ASP PRO ASP ASN PHE LYS
SEQRES 9 B 146 LEU LEU ALA ASP CYS LEU THR ILE VAL VAL ALA ALA ARG
SEQRES 10 B 146 PHE GLY SER ALA PHE THR GLY GLU VAL GLN ALA ALA PHE
SEQRES 11 B 146 GLN LYS PHE MET ALA VAL VAL VAL SER SER LEU GLY LYS
SEQRES 12 B 146 GLN TYR ARG
SEQRES 1 C 143 ACE SER LEU SER ASP LYS ASP LYS ALA ALA VAL ARG ALA
SEQRES 2 C 143 LEU TRP SER LYS ILE GLY LYS SER SER ASP ALA ILE GLY
SEQRES 3 C 143 ASN ASP ALA LEU SER ARG MET ILE VAL VAL TYR PRO GLN
SEQRES 4 C 143 THR LYS ILE TYR PHE SER HIS TRP PRO ASP VAL THR PRO
SEQRES 5 C 143 GLY SER PRO ASN ILE LYS ALA HIS GLY LYS LYS VAL MET
SEQRES 6 C 143 GLY GLY ILE ALA LEU ALA VAL SER LYS ILE ASP ASP LEU
SEQRES 7 C 143 LYS THR GLY LEU MET GLU LEU SER GLU GLN HIS ALA TYR
SEQRES 8 C 143 LYS LEU ARG VAL ASP PRO SER ASN PHE LYS ILE LEU ASN
SEQRES 9 C 143 HIS CYS ILE LEU VAL VAL ILE SER THR MET PHE PRO LYS
SEQRES 10 C 143 GLU PHE THR PRO GLU ALA HIS VAL SER LEU ASP LYS PHE
SEQRES 11 C 143 LEU SER GLY VAL ALA LEU ALA LEU ALA GLU ARG TYR ARG
SEQRES 1 D 146 VAL GLU TRP THR ASP PHE GLU ARG ALA THR ILE LYS ASP
SEQRES 2 D 146 ILE PHE SER LYS LEU GLU TYR ASP VAL VAL GLY PRO ALA
SEQRES 3 D 146 THR LEU ALA ARG CYS LEU VAL VAL TYR PRO TRP THR GLN
SEQRES 4 D 146 ARG TYR PHE GLY LYS PHE GLY ASN LEU TYR ASN ALA ALA
SEQRES 5 D 146 ALA ILE ALA GLN ASN ALA MET VAL SER LYS HIS GLY THR
SEQRES 6 D 146 THR ILE LEU ASN GLY LEU ASP ARG ALA VAL LYS ASN MET
SEQRES 7 D 146 ASP ASP ILE THR ASN THR TYR ALA GLU LEU SER VAL LEU
SEQRES 8 D 146 HIS SER GLU LYS LEU HIS VAL ASP PRO ASP ASN PHE LYS
SEQRES 9 D 146 LEU LEU ALA ASP CYS LEU THR ILE VAL VAL ALA ALA ARG
SEQRES 10 D 146 PHE GLY SER ALA PHE THR GLY GLU VAL GLN ALA ALA PHE
SEQRES 11 D 146 GLN LYS PHE MET ALA VAL VAL VAL SER SER LEU GLY LYS
SEQRES 12 D 146 GLN TYR ARG
HET ACE A 0 3
HET ACE C 0 3
HET HEM A 200 43
HET HEM B 400 43
HET HEM C 600 43
HET HEM D 800 43
HETNAM ACE ACETYL GROUP
HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE
HETSYN HEM HEME
FORMUL 1 ACE 2(C2 H4 O)
FORMUL 5 HEM 4(C34 H32 FE N4 O4)
FORMUL 9 HOH *369(H2 O)
HELIX 1 1 SER A 3 GLY A 18 1 16
HELIX 2 2 SER A 20 TYR A 36 1 17
HELIX 3 3 PRO A 37 SER A 44 5 8
HELIX 4 4 SER A 53 LYS A 73 1 21
HELIX 5 5 ASP A 76 LEU A 81 1 6
HELIX 6 6 LEU A 81 LYS A 91 1 11
HELIX 7 7 PRO A 96 PHE A 114 1 19
HELIX 8 8 THR A 119 ALA A 138 1 20
HELIX 9 9 THR B 4 LEU B 18 1 15
HELIX 10 10 GLU B 19 TYR B 35 1 17
HELIX 11 11 PRO B 36 GLY B 46 5 11
HELIX 12 12 ASN B 50 ASN B 57 1 8
HELIX 13 13 ASN B 57 GLY B 70 1 14
HELIX 14 14 LEU B 71 ASN B 77 1 7
HELIX 15 15 ASP B 80 LYS B 95 1 16
HELIX 16 16 PRO B 100 GLY B 119 1 20
HELIX 17 17 SER B 120 PHE B 122 5 3
HELIX 18 18 THR B 123 LYS B 143 1 21
HELIX 19 19 SER C 3 GLY C 18 1 16
HELIX 20 20 SER C 20 TYR C 36 1 17
HELIX 21 21 PRO C 37 SER C 44 5 8
HELIX 22 22 SER C 53 LYS C 73 1 21
HELIX 23 23 ASP C 76 LEU C 81 1 6
HELIX 24 24 LEU C 81 LYS C 91 1 11
HELIX 25 25 PRO C 96 PHE C 114 1 19
HELIX 26 26 THR C 119 GLU C 139 1 21
HELIX 27 27 THR D 4 LEU D 18 1 15
HELIX 28 28 GLU D 19 TYR D 35 1 17
HELIX 29 29 PRO D 36 PHE D 42 5 7
HELIX 30 30 ASN D 50 ASN D 57 1 8
HELIX 31 31 ASN D 57 GLY D 70 1 14
HELIX 32 32 LEU D 71 ASN D 77 1 7
HELIX 33 33 ASP D 80 TYR D 85 1 6
HELIX 34 34 TYR D 85 LYS D 95 1 11
HELIX 35 35 PRO D 100 GLY D 119 1 20
HELIX 36 36 SER D 120 PHE D 122 5 3
HELIX 37 37 THR D 123 LYS D 143 1 21
LINK NE2 HIS A 88 FE HEM A 200 1555 1555 2.12
LINK NE2 HIS B 92 FE HEM B 400 1555 1555 2.17
LINK NE2 HIS C 88 FE HEM C 600 1555 1555 2.14
LINK NE2 HIS D 92 FE HEM D 800 1555 1555 2.13
LINK C ACE A 0 N SER A 1 1555 1555 1.33
LINK C ACE C 0 N SER C 1 1555 1555 1.33
SITE 1 AC1 16 TYR A 42 HIS A 45 TRP A 46 HIS A 59
SITE 2 AC1 16 LYS A 62 VAL A 63 ILE A 67 HIS A 88
SITE 3 AC1 16 LEU A 92 VAL A 94 ASN A 98 PHE A 99
SITE 4 AC1 16 LEU A 102 LEU A 137 HOH A1114 HOH C1180
SITE 1 AC2 12 THR B 38 PHE B 42 HIS B 63 ILE B 67
SITE 2 AC2 12 LEU B 91 HIS B 92 LEU B 96 VAL B 98
SITE 3 AC2 12 ASN B 102 PHE B 103 LEU B 106 LEU B 141
SITE 1 AC3 16 MET C 32 TYR C 42 HIS C 45 TRP C 46
SITE 2 AC3 16 HIS C 59 LYS C 62 VAL C 63 ILE C 67
SITE 3 AC3 16 GLN C 87 HIS C 88 LEU C 92 ASN C 98
SITE 4 AC3 16 PHE C 99 LEU C 102 LEU C 137 HOH C1361
SITE 1 AC4 12 THR D 38 TYR D 41 HIS D 63 ILE D 67
SITE 2 AC4 12 LEU D 91 HIS D 92 LEU D 96 VAL D 98
SITE 3 AC4 12 ASN D 102 PHE D 103 LEU D 106 LEU D 141
CRYST1 58.097 60.801 61.232 80.73 81.36 62.01 P 1 2
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 0.017210 -0.009150 -0.001670 0.00000
SCALE2 0.000000 0.018630 -0.001940 0.00000
SCALE3 0.000000 0.000000 0.016610 0.00000
HETATM 1 C ACE A 0 -5.717 6.376 3.891 1.00 12.75 C
HETATM 2 O ACE A 0 -5.027 7.185 4.515 1.00 12.03 O
HETATM 3 CH3 ACE A 0 -5.696 4.893 4.256 1.00 12.24 C
ATOM 4 N SER A 1 -6.506 6.733 2.881 1.00 12.80 N
ATOM 5 CA SER A 1 -6.605 8.125 2.452 1.00 12.68 C
ATOM 6 C SER A 1 -7.334 8.943 3.516 1.00 12.31 C
ATOM 7 O SER A 1 -8.090 8.396 4.327 1.00 12.11 O
ATOM 8 CB SER A 1 -7.333 8.231 1.109 1.00 13.63 C
ATOM 9 OG SER A 1 -8.734 8.081 1.261 1.00 16.84 O
ATOM 10 N LEU A 2 -7.106 10.251 3.506 1.00 10.72 N
ATOM 11 CA LEU A 2 -7.723 11.142 4.475 1.00 11.61 C
ATOM 12 C LEU A 2 -9.093 11.627 4.011 1.00 11.44 C
ATOM 13 O LEU A 2 -9.240 12.144 2.903 1.00 11.99 O
ATOM 14 CB LEU A 2 -6.802 12.337 4.748 1.00 10.84 C
ATOM 15 CG LEU A 2 -5.382 11.968 5.189 1.00 12.01 C
ATOM 16 CD1 LEU A 2 -4.542 13.221 5.410 1.00 11.07 C
ATOM 17 CD2 LEU A 2 -5.436 11.127 6.451 1.00 11.59 C
ATOM 18 N SER A 3 -10.093 11.435 4.861 1.00 11.33 N
ATOM 19 CA SER A 3 -11.453 11.863 4.567 1.00 11.83 C
ATOM 20 C SER A 3 -11.566 13.332 4.947 1.00 12.73 C
ATOM 21 O SER A 3 -10.635 13.905 5.524 1.00 12.40 O
ATOM 22 CB SER A 3 -12.438 11.063 5.416 1.00 11.55 C
ATOM 23 OG SER A 3 -12.273 11.369 6.795 1.00 10.94 O
ATOM 24 N ASP A 4 -12.713 13.937 4.663 1.00 12.84 N
ATOM 25 CA ASP A 4 -12.917 15.334 5.025 1.00 13.16 C
ATOM 26 C ASP A 4 -12.895 15.425 6.546 1.00 12.21 C
ATOM 27 O ASP A 4 -12.411 16.406 7.111 1.00 12.21 O
ATOM 28 CB ASP A 4 -14.242 15.859 4.462 1.00 14.81 C
ATOM 29 CG ASP A 4 -14.205 16.045 2.950 1.00 17.14 C
ATOM 30 OD1 ASP A 4 -13.100 16.189 2.383 1.00 18.17 O
ATOM 31 OD2 ASP A 4 -15.286 16.053 2.326 1.00 19.72 O
ATOM 32 N LYS A 5 -13.384 14.379 7.205 1.00 11.92 N
ATOM 33 CA LYS A 5 -13.398 14.329 8.665 1.00 11.99 C
ATOM 34 C LYS A 5 -11.965 14.325 9.208 1.00 11.00 C
ATOM 35 O LYS A 5 -11.649 15.046 10.162 1.00 10.22 O
ATOM 36 CB LYS A 5 -14.138 13.080 9.149 1.00 13.31 C
ATOM 37 CG LYS A 5 -14.233 12.978 10.658 1.00 15.58 C
ATOM 38 CD LYS A 5 -14.886 11.680 11.088 1.00 18.04 C
ATOM 39 CE LYS A 5 -14.986 11.605 12.600 1.00 19.05 C
ATOM 40 NZ LYS A 5 -15.587 10.314 13.044 1.00 21.85 N
ATOM 41 N ASP A 6 -11.105 13.510 8.601 1.00 10.00 N
ATOM 42 CA ASP A 6 -9.706 13.428 9.014 1.00 9.83 C
ATOM 43 C ASP A 6 -9.014 14.777 8.844 1.00 9.41 C
ATOM 44 O ASP A 6 -8.327 15.259 9.750 1.00 9.53 O
ATOM 45 CB ASP A 6 -8.959 12.382 8.185 1.00 9.40 C
ATOM 46 CG ASP A 6 -9.408 10.968 8.483 1.00 11.98 C
ATOM 47 OD1 ASP A 6 -9.568 10.628 9.675 1.00 12.94 O
ATOM 48 OD2 ASP A 6 -9.589 10.191 7.523 1.00 12.15 O
ATOM 49 N LYS A 7 -9.216 15.390 7.684 1.00 8.46 N
ATOM 50 CA LYS A 7 -8.606 16.679 7.375 1.00 9.03 C
ATOM 51 C LYS A 7 -9.006 17.779 8.354 1.00 8.22 C
ATOM 52 O LYS A 7 -8.155 18.549 8.811 1.00 8.96 O
ATOM 53 CB LYS A 7 -8.932 17.084 5.935 1.00 9.12 C
ATOM 54 CG LYS A 7 -8.336 16.145 4.906 1.00 10.24 C
ATOM 55 CD LYS A 7 -8.746 16.522 3.495 1.00 11.96 C
ATOM 56 CE LYS A 7 -8.106 15.598 2.477 1.00 11.86 C
ATOM 57 NZ LYS A 7 -8.603 15.884 1.106 1.00 13.92 N
ATOM 58 N ALA A 8 -10.293 17.848 8.682 1.00 8.25 N
ATOM 59 CA ALA A 8 -10.789 18.848 9.623 1.00 7.31 C
ATOM 60 C ALA A 8 -10.193 18.591 11.006 1.00 7.58 C
ATOM 61 O ALA A 8 -9.792 19.522 11.705 1.00 7.43 O
ATOM 62 CB ALA A 8 -12.317 18.806 9.686 1.00 8.15 C
ATOM 63 N ALA A 9 -10.107 17.317 11.380 1.00 8.16 N
ATOM 64 CA ALA A 9 -9.560 16.926 12.675 1.00 7.19 C
ATOM 65 C ALA A 9 -8.095 17.330 12.813 1.00 6.97 C
ATOM 66 O ALA A 9 -7.690 17.869 13.844 1.00 7.67 O
ATOM 67 CB ALA A 9 -9.725 15.424 12.888 1.00 7.05 C
ATOM 68 N VAL A 10 -7.303 17.088 11.772 1.00 6.56 N
ATOM 69 CA VAL A 10 -5.886 17.444 11.801 1.00 6.87 C
ATOM 70 C VAL A 10 -5.700 18.966 11.796 1.00 7.80 C
ATOM 71 O VAL A 10 -4.896 19.501 12.567 1.00 7.43 O
ATOM 72 CB VAL A 10 -5.119 16.798 10.620 1.00 7.31 C
ATOM 73 CG1 VAL A 10 -3.673 17.291 10.576 1.00 7.17 C
ATOM 74 CG2 VAL A 10 -5.149 15.282 10.756 1.00 7.10 C
ATOM 75 N ARG A 11 -6.448 19.663 10.942 1.00 6.82 N
ATOM 76 CA ARG A 11 -6.363 21.123 10.869 1.00 7.29 C
ATOM 77 C ARG A 11 -6.743 21.749 12.211 1.00 6.91 C
ATOM 78 O ARG A 11 -6.089 22.682 12.674 1.00 7.12 O
ATOM 79 CB ARG A 11 -7.285 21.666 9.773 1.00 7.39 C
ATOM 80 CG ARG A 11 -6.796 21.410 8.359 1.00 7.53 C
ATOM 81 CD ARG A 11 -7.835 21.812 7.318 1.00 7.10 C
ATOM 82 NE ARG A 11 -7.273 21.765 5.971 1.00 7.96 N
ATOM 83 CZ ARG A 11 -7.897 21.271 4.907 1.00 7.35 C
ATOM 84 NH1 ARG A 11 -9.118 20.772 5.012 1.00 7.92 N
ATOM 85 NH2 ARG A 11 -7.291 21.276 3.730 1.00 8.83 N
ATOM 86 N ALA A 12 -7.803 21.227 12.828 1.00 6.96 N
ATOM 87 CA ALA A 12 -8.275 21.721 14.117 1.00 6.89 C
ATOM 88 C ALA A 12 -7.242 21.466 15.215 1.00 7.34 C
ATOM 89 O ALA A 12 -6.948 22.355 16.013 1.00 6.91 O
ATOM 90 CB ALA A 12 -9.606 21.079 14.476 1.00 7.05 C
ATOM 91 N LEU A 13 -6.676 20.263 15.243 1.00 7.32 N
ATOM 92 CA LEU A 13 -5.665 19.935 16.245 1.00 6.98 C
ATOM 93 C LEU A 13 -4.450 20.835 16.060 1.00 7.44 C
ATOM 94 O LEU A 13 -3.953 21.422 17.024 1.00 6.15 O
ATOM 95 CB LEU A 13 -5.234 18.463 16.149 1.00 7.16 C
ATOM 96 CG LEU A 13 -4.112 18.039 17.117 1.00 7.65 C
ATOM 97 CD1 LEU A 13 -4.585 18.157 18.566 1.00 7.34 C
ATOM 98 CD2 LEU A 13 -3.665 16.616 16.822 1.00 5.12 C
ATOM 99 N TRP A 14 -3.990 20.970 14.817 1.00 6.67 N
ATOM 100 CA TRP A 14 -2.828 21.799 14.535 1.00 7.28 C
ATOM 101 C TRP A 14 -3.096 23.254 14.917 1.00 7.71 C
ATOM 102 O TRP A 14 -2.195 23.963 15.372 1.00 6.13 O
ATOM 103 CB TRP A 14 -2.421 21.697 13.065 1.00 7.59 C
ATOM 104 CG TRP A 14 -1.086 22.320 12.806 1.00 10.28 C
ATOM 105 CD1 TRP A 14 -0.832 23.446 12.075 1.00 10.29 C
ATOM 106 CD2 TRP A 14 0.176 21.891 13.335 1.00 10.22 C
ATOM 107 NE1 TRP A 14 0.506 23.749 12.128 1.00 10.99 N
ATOM 108 CE2 TRP A 14 1.148 22.813 12.895 1.00 11.21 C
ATOM 109 CE3 TRP A 14 0.577 20.819 14.144 1.00 11.14 C
ATOM 110 CZ2 TRP A 14 2.501 22.698 13.238 1.00 13.07 C
ATOM 111 CZ3 TRP A 14 1.922 20.703 14.485 1.00 12.46 C
ATOM 112 CH2 TRP A 14 2.867 21.638 14.033 1.00 12.77 C
ATOM 113 N SER A 15 -4.337 23.691 14.736 1.00 7.72 N
ATOM 114 CA SER A 15 -4.730 25.048 15.088 1.00 8.31 C
ATOM 115 C SER A 15 -4.440 25.282 16.578 1.00 9.20 C
ATOM 116 O SER A 15 -3.934 26.342 16.968 1.00 10.03 O
ATOM 117 CB SER A 15 -6.224 25.240 14.803 1.00 8.40 C
ATOM 118 OG SER A 15 -6.670 26.527 15.200 1.00 10.86 O
ATOM 119 N LYS A 16 -4.712 24.263 17.392 1.00 8.89 N
ATOM 120 CA LYS A 16 -4.501 24.329 18.836 1.00 9.49 C
ATOM 121 C LYS A 16 -3.049 24.156 19.285 1.00 10.31 C
ATOM 122 O LYS A 16 -2.568 24.909 20.134 1.00 11.48 O
ATOM 123 CB LYS A 16 -5.357 23.274 19.540 1.00 8.81 C
ATOM 124 CG LYS A 16 -6.840 23.384 19.266 1.00 9.13 C
ATOM 125 CD LYS A 16 -7.567 22.127 19.697 1.00 10.25 C
ATOM 126 CE LYS A 16 -9.024 22.180 19.285 1.00 12.03 C
ATOM 127 NZ LYS A 16 -9.735 20.902 19.575 1.00 10.53 N
ATOM 128 N ILE A 17 -2.349 23.179 18.711 1.00 9.67 N
ATOM 129 CA ILE A 17 -0.968 22.886 19.104 1.00 8.85 C
ATOM 130 C ILE A 17 0.169 23.540 18.311 1.00 8.96 C
ATOM 131 O ILE A 17 1.311 23.561 18.775 1.00 10.01 O
ATOM 132 CB ILE A 17 -0.720 21.355 19.142 1.00 8.87 C
ATOM 133 CG1 ILE A 17 -0.634 20.789 17.722 1.00 8.74 C
ATOM 134 CG2 ILE A 17 -1.852 20.659 19.890 1.00 8.33 C
ATOM 135 CD1 ILE A 17 -0.307 19.306 17.672 1.00 9.54 C
ATOM 136 N GLY A 18 -0.140 24.083 17.137 1.00 8.45 N
ATOM 137 CA GLY A 18 0.870 24.707 16.292 1.00 9.55 C
ATOM 138 C GLY A 18 1.819 25.682 16.968 1.00 11.76 C
ATOM 139 O GLY A 18 3.007 25.734 16.634 1.00 12.44 O
ATOM 140 N LYS A 19 1.301 26.452 17.920 1.00 12.64 N
ATOM 141 CA LYS A 19 2.099 27.429 18.655 1.00 12.44 C
ATOM 142 C LYS A 19 3.278 26.780 19.389 1.00 12.63 C
ATOM 143 O LYS A 19 4.288 27.434 19.656 1.00 12.20 O
ATOM 144 CB LYS A 19 1.212 28.169 19.661 1.00 13.89 C
ATOM 145 CG LYS A 19 0.553 27.254 20.691 1.00 17.21 C
ATOM 146 CD LYS A 19 -0.356 28.016 21.637 1.00 20.57 C
ATOM 147 CE LYS A 19 -1.035 27.073 22.609 1.00 24.00 C
ATOM 148 NZ LYS A 19 -1.947 27.796 23.542 1.00 27.44 N
ATOM 149 N SER A 20 3.151 25.496 19.709 1.00 11.83 N
ATOM 150 CA SER A 20 4.204 24.783 20.424 1.00 12.21 C
ATOM 151 C SER A 20 5.054 23.859 19.548 1.00 12.05 C
ATOM 152 O SER A 20 5.764 22.997 20.074 1.00 11.74 O
ATOM 153 CB SER A 20 3.592 23.977 21.577 1.00 12.58 C
ATOM 154 OG SER A 20 2.878 24.817 22.471 1.00 13.59 O
ATOM 155 N SER A 21 5.051 24.083 18.235 1.00 11.48 N
ATOM 156 CA SER A 21 5.806 23.232 17.316 1.00 11.95 C
ATOM 157 C SER A 21 7.289 23.045 17.638 1.00 11.23 C
ATOM 158 O SER A 21 7.792 21.926 17.565 1.00 10.82 O
ATOM 159 CB SER A 21 5.618 23.687 15.862 1.00 12.42 C
ATOM 160 OG SER A 21 6.055 25.016 15.674 1.00 16.50 O
ATOM 161 N ASP A 22 7.990 24.121 17.990 1.00 11.73 N
ATOM 162 CA ASP A 22 9.416 24.017 18.325 1.00 11.39 C
ATOM 163 C ASP A 22 9.611 23.018 19.465 1.00 10.71 C
ATOM 164 O ASP A 22 10.416 22.087 19.357 1.00 10.99 O
ATOM 165 CB ASP A 22 9.993 25.374 18.755 1.00 13.19 C
ATOM 166 CG ASP A 22 10.119 26.371 17.606 1.00 15.28 C
ATOM 167 OD1 ASP A 22 9.746 26.061 16.455 1.00 16.51 O
ATOM 168 OD2 ASP A 22 10.608 27.489 17.866 1.00 17.58 O
ATOM 169 N ALA A 23 8.859 23.210 20.547 1.00 9.64 N
ATOM 170 CA ALA A 23 8.939 22.335 21.714 1.00 8.94 C
ATOM 171 C ALA A 23 8.573 20.897 21.361 1.00 8.38 C
ATOM 172 O ALA A 23 9.223 19.955 21.816 1.00 8.32 O
ATOM 173 CB ALA A 23 8.038 22.851 22.827 1.00 8.61 C
ATOM 174 N ILE A 24 7.537 20.730 20.542 1.00 8.44 N
ATOM 175 CA ILE A 24 7.100 19.399 20.123 1.00 7.70 C
ATOM 176 C ILE A 24 8.219 18.686 19.362 1.00 8.03 C
ATOM 177 O ILE A 24 8.514 17.520 19.628 1.00 7.76 O
ATOM 178 CB ILE A 24 5.818 19.471 19.240 1.00 7.12 C
ATOM 179 CG1 ILE A 24 4.642 20.009 20.068 1.00 6.09 C
ATOM 180 CG2 ILE A 24 5.472 18.087 18.674 1.00 7.33 C
ATOM 181 CD1 ILE A 24 3.352 20.207 19.277 1.00 7.22 C
ATOM 182 N GLY A 25 8.868 19.408 18.452 1.00 8.35 N
ATOM 183 CA GLY A 25 9.942 18.829 17.661 1.00 9.15 C
ATOM 184 C GLY A 25 11.136 18.422 18.496 1.00 9.77 C
ATOM 185 O GLY A 25 11.708 17.343 18.311 1.00 10.23 O
ATOM 186 N ASN A 26 11.513 19.292 19.421 1.00 9.07 N
ATOM 187 CA ASN A 26 12.636 19.035 20.307 1.00 10.20 C
ATOM 188 C ASN A 26 12.348 17.792 21.141 1.00 10.57 C
ATOM 189 O ASN A 26 13.163 16.864 21.195 1.00 11.55 O
ATOM 190 CB ASN A 26 12.865 20.252 21.211 1.00 10.93 C
ATOM 191 CG ASN A 26 13.991 20.049 22.215 1.00 13.20 C
ATOM 192 OD1 ASN A 26 14.006 20.693 23.263 1.00 15.14 O
ATOM 193 ND2 ASN A 26 14.946 19.184 21.894 1.00 11.28 N
ATOM 194 N ASP A 27 11.165 17.760 21.747 1.00 10.62 N
ATOM 195 CA ASP A 27 10.743 16.643 22.586 1.00 11.17 C
ATOM 196 C ASP A 27 10.654 15.328 21.799 1.00 10.08 C
ATOM 197 O ASP A 27 11.156 14.298 22.252 1.00 9.94 O
ATOM 198 CB ASP A 27 9.390 16.973 23.235 1.00 13.75 C
ATOM 199 CG ASP A 27 9.052 16.068 24.422 1.00 16.71 C
ATOM 200 OD1 ASP A 27 9.779 15.090 24.687 1.00 18.94 O
ATOM 201 OD2 ASP A 27 8.041 16.348 25.100 1.00 19.04 O
ATOM 202 N ALA A 28 10.049 15.379 20.613 1.00 9.00 N
ATOM 203 CA ALA A 28 9.880 14.199 19.757 1.00 7.94 C
ATOM 204 C ALA A 28 11.202 13.551 19.357 1.00 7.40 C
ATOM 205 O ALA A 28 11.376 12.338 19.500 1.00 6.86 O
ATOM 206 CB ALA A 28 9.071 14.558 18.510 1.00 6.16 C
ATOM 207 N LEU A 29 12.133 14.358 18.860 1.00 7.19 N
ATOM 208 CA LEU A 29 13.431 13.847 18.444 1.00 7.58 C
ATOM 209 C LEU A 29 14.277 13.399 19.626 1.00 8.31 C
ATOM 210 O LEU A 29 15.047 12.441 19.512 1.00 8.69 O
ATOM 211 CB LEU A 29 14.173 14.883 17.612 1.00 7.68 C
ATOM 212 CG LEU A 29 13.549 15.131 16.239 1.00 9.28 C
ATOM 213 CD1 LEU A 29 14.151 16.370 15.659 1.00 12.16 C
ATOM 214 CD2 LEU A 29 13.767 13.944 15.312 1.00 7.93 C
ATOM 215 N SER A 30 14.129 14.078 20.761 1.00 8.22 N
ATOM 216 CA SER A 30 14.875 13.709 21.958 1.00 9.27 C
ATOM 217 C SER A 30 14.428 12.322 22.422 1.00 9.45 C
ATOM 218 O SER A 30 15.249 11.505 22.842 1.00 10.93 O
ATOM 219 CB SER A 30 14.674 14.745 23.070 1.00 8.45 C
ATOM 220 OG SER A 30 15.251 15.990 22.714 1.00 8.81 O
ATOM 221 N ARG A 31 13.125 12.063 22.349 1.00 9.49 N
ATOM 222 CA ARG A 31 12.576 10.763 22.736 1.00 9.61 C
ATOM 223 C ARG A 31 13.082 9.706 21.781 1.00 8.33 C
ATOM 224 O ARG A 31 13.526 8.638 22.195 1.00 9.04 O
ATOM 225 CB ARG A 31 11.051 10.770 22.658 1.00 9.99 C
ATOM 226 CG ARG A 31 10.418 11.596 23.706 1.00 11.98 C
ATOM 227 CD ARG A 31 8.927 11.597 23.586 1.00 12.20 C
ATOM 228 NE ARG A 31 8.403 12.450 24.635 1.00 12.93 N
ATOM 229 CZ ARG A 31 8.233 12.064 25.892 1.00 14.50 C
ATOM 230 NH1 ARG A 31 8.520 10.819 26.257 1.00 11.79 N
ATOM 231 NH2 ARG A 31 7.882 12.957 26.805 1.00 15.03 N
ATOM 232 N MET A 32 13.022 10.023 20.495 1.00 7.81 N
ATOM 233 CA MET A 32 13.452 9.103 19.459 1.00 7.56 C
ATOM 234 C MET A 32 14.864 8.559 19.659 1.00 8.19 C
ATOM 235 O MET A 32 15.066 7.342 19.648 1.00 8.03 O
ATOM 236 CB MET A 32 13.338 9.759 18.084 1.00 8.19 C
ATOM 237 CG MET A 32 13.641 8.807 16.947 1.00 7.60 C
ATOM 238 SD MET A 32 13.626 9.614 15.366 1.00 11.49 S
ATOM 239 CE MET A 32 15.219 10.424 15.371 1.00 9.42 C
ATOM 240 N ILE A 33 15.834 9.445 19.870 1.00 7.79 N
ATOM 241 CA ILE A 33 17.212 8.995 20.044 1.00 8.00 C
ATOM 242 C ILE A 33 17.472 8.262 21.360 1.00 7.82 C
ATOM 243 O ILE A 33 18.425 7.488 21.455 1.00 8.55 O
ATOM 244 CB ILE A 33 18.236 10.138 19.846 1.00 7.95 C
ATOM 245 CG1 ILE A 33 18.016 11.250 20.874 1.00 7.96 C
ATOM 246 CG2 ILE A 33 18.143 10.678 18.420 1.00 8.16 C
ATOM 247 CD1 ILE A 33 19.114 12.296 20.881 1.00 8.63 C
ATOM 248 N VAL A 34 16.630 8.499 22.364 1.00 8.02 N
ATOM 249 CA VAL A 34 16.770 7.830 23.659 1.00 8.44 C
ATOM 250 C VAL A 34 16.102 6.456 23.622 1.00 8.44 C
ATOM 251 O VAL A 34 16.733 5.436 23.907 1.00 7.89 O
ATOM 252 CB VAL A 34 16.144 8.658 24.815 1.00 8.49 C
ATOM 253 CG1 VAL A 34 16.097 7.834 26.105 1.00 8.74 C
ATOM 254 CG2 VAL A 34 16.951 9.915 25.052 1.00 8.74 C
ATOM 255 N VAL A 35 14.822 6.441 23.263 1.00 7.22 N
ATOM 256 CA VAL A 35 14.041 5.209 23.198 1.00 7.07 C
ATOM 257 C VAL A 35 14.462 4.289 22.045 1.00 6.62 C
ATOM 258 O VAL A 35 14.455 3.067 22.188 1.00 7.36 O
ATOM 259 CB VAL A 35 12.524 5.526 23.111 1.00 7.09 C
ATOM 260 CG1 VAL A 35 11.697 4.248 23.199 1.00 7.88 C
ATOM 261 CG2 VAL A 35 12.129 6.477 24.231 1.00 8.15 C
ATOM 262 N TYR A 36 14.835 4.873 20.911 1.00 5.68 N
ATOM 263 CA TYR A 36 15.261 4.098 19.747 1.00 6.33 C
ATOM 264 C TYR A 36 16.666 4.571 19.362 1.00 7.00 C
ATOM 265 O TYR A 36 16.851 5.215 18.327 1.00 6.51 O
ATOM 266 CB TYR A 36 14.290 4.318 18.581 1.00 6.19 C
ATOM 267 CG TYR A 36 12.832 4.113 18.941 1.00 6.95 C
ATOM 268 CD1 TYR A 36 12.096 5.125 19.564 1.00 7.22 C
ATOM 269 CD2 TYR A 36 12.186 2.909 18.662 1.00 7.03 C
ATOM 270 CE1 TYR A 36 10.750 4.943 19.901 1.00 6.66 C
ATOM 271 CE2 TYR A 36 10.841 2.715 18.996 1.00 7.00 C
ATOM 272 CZ TYR A 36 10.131 3.737 19.614 1.00 7.51 C
ATOM 273 OH TYR A 36 8.803 3.554 19.939 1.00 7.35 O
ATOM 274 N PRO A 37 17.688 4.177 20.147 1.00 7.88 N
ATOM 275 CA PRO A 37 19.083 4.563 19.908 1.00 7.81 C
ATOM 276 C PRO A 37 19.640 4.255 18.522 1.00 9.19 C
ATOM 277 O PRO A 37 20.599 4.892 18.083 1.00 9.87 O
ATOM 278 CB PRO A 37 19.839 3.827 21.016 1.00 8.47 C
ATOM 279 CG PRO A 37 19.001 2.617 21.256 1.00 8.13 C
ATOM 280 CD PRO A 37 17.606 3.188 21.239 1.00 7.85 C
ATOM 281 N GLN A 38 19.008 3.329 17.806 1.00 9.03 N
ATOM 282 CA GLN A 38 19.468 2.971 16.468 1.00 9.19 C
ATOM 283 C GLN A 38 19.297 4.121 15.465 1.00 9.25 C
ATOM 284 O GLN A 38 20.045 4.212 14.488 1.00 9.40 O
ATOM 285 CB GLN A 38 18.761 1.703 15.960 1.00 8.95 C
ATOM 286 CG GLN A 38 17.268 1.850 15.665 1.00 10.36 C
ATOM 287 CD GLN A 38 16.361 1.432 16.816 1.00 11.50 C
ATOM 288 OE1 GLN A 38 15.216 1.040 16.595 1.00 13.38 O
ATOM 289 NE2 GLN A 38 16.867 1.495 18.043 1.00 8.68 N
ATOM 290 N THR A 39 18.350 5.021 15.730 1.00 8.08 N
ATOM 291 CA THR A 39 18.100 6.151 14.832 1.00 7.77 C
ATOM 292 C THR A 39 19.262 7.150 14.790 1.00 7.59 C
ATOM 293 O THR A 39 19.388 7.942 13.854 1.00 7.12 O
ATOM 294 CB THR A 39 16.796 6.904 15.200 1.00 6.41 C
ATOM 295 OG1 THR A 39 16.888 7.423 16.535 1.00 6.65 O
ATOM 296 CG2 THR A 39 15.593 5.972 15.093 1.00 5.64 C
ATOM 297 N LYS A 40 20.136 7.068 15.786 1.00 7.77 N
ATOM 298 CA LYS A 40 21.286 7.957 15.890 1.00 8.41 C
ATOM 299 C LYS A 40 22.306 7.852 14.761 1.00 8.70 C
ATOM 300 O LYS A 40 23.068 8.797 14.529 1.00 9.25 O
ATOM 301 CB LYS A 40 21.969 7.767 17.250 1.00 10.02 C
ATOM 302 CG LYS A 40 21.140 8.325 18.398 1.00 10.65 C
ATOM 303 CD LYS A 40 21.393 7.623 19.719 1.00 13.77 C
ATOM 304 CE LYS A 40 22.749 7.919 20.290 1.00 14.97 C
ATOM 305 NZ LYS A 40 22.877 7.280 21.625 1.00 13.31 N
ATOM 306 N ILE A 41 22.300 6.740 14.030 1.00 7.82 N
ATOM 307 CA ILE A 41 23.252 6.556 12.936 1.00 7.07 C
ATOM 308 C ILE A 41 23.106 7.624 11.851 1.00 7.37 C
ATOM 309 O ILE A 41 24.077 7.979 11.190 1.00 7.57 O
ATOM 310 CB ILE A 41 23.172 5.128 12.308 1.00 6.69 C
ATOM 311 CG1 ILE A 41 21.850 4.916 11.563 1.00 6.83 C
ATOM 312 CG2 ILE A 41 23.372 4.062 13.379 1.00 5.12 C
ATOM 313 CD1 ILE A 41 21.940 5.192 10.068 1.00 6.42 C
ATOM 314 N TYR A 42 21.904 8.175 11.711 1.00 7.70 N
ATOM 315 CA TYR A 42 21.645 9.204 10.704 1.00 8.20 C
ATOM 316 C TYR A 42 22.212 10.560 11.098 1.00 8.79 C
ATOM 317 O TYR A 42 22.287 11.476 10.276 1.00 8.69 O
ATOM 318 CB TYR A 42 20.141 9.325 10.443 1.00 7.76 C
ATOM 319 CG TYR A 42 19.572 8.115 9.749 1.00 7.38 C
ATOM 320 CD1 TYR A 42 19.848 7.876 8.404 1.00 7.51 C
ATOM 321 CD2 TYR A 42 18.795 7.188 10.441 1.00 7.06 C
ATOM 322 CE1 TYR A 42 19.370 6.743 7.761 1.00 7.55 C
ATOM 323 CE2 TYR A 42 18.309 6.046 9.805 1.00 7.28 C
ATOM 324 CZ TYR A 42 18.603 5.834 8.464 1.00 6.80 C
ATOM 325 OH TYR A 42 18.126 4.715 7.821 1.00 7.30 O
ATOM 326 N PHE A 43 22.627 10.676 12.354 1.00 9.39 N
ATOM 327 CA PHE A 43 23.174 11.922 12.871 1.00 10.76 C
ATOM 328 C PHE A 43 24.621 11.754 13.313 1.00 12.31 C
ATOM 329 O PHE A 43 25.153 12.577 14.056 1.00 12.19 O
ATOM 330 CB PHE A 43 22.297 12.416 14.021 1.00 10.79 C
ATOM 331 CG PHE A 43 20.837 12.502 13.659 1.00 12.43 C
ATOM 332 CD1 PHE A 43 20.397 13.413 12.704 1.00 12.65 C
ATOM 333 CD2 PHE A 43 19.912 11.637 14.231 1.00 13.24 C
ATOM 334 CE1 PHE A 43 19.055 13.459 12.318 1.00 12.86 C
ATOM 335 CE2 PHE A 43 18.570 11.676 13.852 1.00 14.83 C
ATOM 336 CZ PHE A 43 18.143 12.591 12.891 1.00 12.61 C
ATOM 337 N SER A 44 25.272 10.714 12.796 1.00 13.47 N
ATOM 338 CA SER A 44 26.662 10.426 13.125 1.00 15.35 C
ATOM 339 C SER A 44 27.597 11.556 12.702 1.00 16.24 C
ATOM 340 O SER A 44 28.725 11.643 13.180 1.00 16.92 O
ATOM 341 CB SER A 44 27.103 9.116 12.464 1.00 15.30 C
ATOM 342 OG SER A 44 26.920 9.154 11.055 1.00 17.44 O
ATOM 343 N HIS A 45 27.130 12.397 11.782 1.00 17.43 N
ATOM 344 CA HIS A 45 27.919 13.524 11.288 1.00 19.04 C
ATOM 345 C HIS A 45 27.862 14.760 12.193 1.00 19.38 C
ATOM 346 O HIS A 45 28.566 15.741 11.958 1.00 19.64 O
ATOM 347 CB HIS A 45 27.505 13.885 9.852 1.00 20.11 C
ATOM 348 CG HIS A 45 26.058 14.251 9.703 1.00 20.93 C
ATOM 349 ND1 HIS A 45 25.035 13.341 9.867 1.00 20.38 N
ATOM 350 CD2 HIS A 45 25.466 15.425 9.382 1.00 21.03 C
ATOM 351 CE1 HIS A 45 23.876 13.939 9.654 1.00 21.31 C
ATOM 352 NE2 HIS A 45 24.111 15.203 9.357 1.00 21.61 N
ATOM 353 N TRP A 46 26.996 14.725 13.200 1.00 18.98 N
ATOM 354 CA TRP A 46 26.863 15.837 14.139 1.00 18.86 C
ATOM 355 C TRP A 46 27.993 15.727 15.154 1.00 19.69 C
ATOM 356 O TRP A 46 28.543 14.646 15.356 1.00 19.46 O
ATOM 357 CB TRP A 46 25.538 15.739 14.897 1.00 17.14 C
ATOM 358 CG TRP A 46 24.319 16.077 14.109 1.00 15.54 C
ATOM 359 CD1 TRP A 46 24.262 16.504 12.812 1.00 14.66 C
ATOM 360 CD2 TRP A 46 22.969 16.056 14.587 1.00 14.93 C
ATOM 361 NE1 TRP A 46 22.959 16.756 12.456 1.00 14.34 N
ATOM 362 CE2 TRP A 46 22.144 16.490 13.525 1.00 13.82 C
ATOM 363 CE3 TRP A 46 22.376 15.719 15.812 1.00 13.34 C
ATOM 364 CZ2 TRP A 46 20.755 16.597 13.649 1.00 12.80 C
ATOM 365 CZ3 TRP A 46 20.992 15.825 15.936 1.00 13.65 C
ATOM 366 CH2 TRP A 46 20.198 16.262 14.858 1.00 12.91 C
ATOM 367 N PRO A 47 28.343 16.840 15.824 1.00 20.92 N
ATOM 368 CA PRO A 47 29.423 16.769 16.815 1.00 21.57 C
ATOM 369 C PRO A 47 29.061 15.795 17.938 1.00 22.24 C
ATOM 370 O PRO A 47 29.930 15.138 18.513 1.00 23.39 O
ATOM 371 CB PRO A 47 29.532 18.216 17.313 1.00 21.90 C
ATOM 372 CG PRO A 47 28.163 18.794 17.038 1.00 22.47 C
ATOM 373 CD PRO A 47 27.845 18.219 15.687 1.00 21.00 C
ATOM 374 N ASP A 48 27.762 15.687 18.209 1.00 21.98 N
ATOM 375 CA ASP A 48 27.225 14.796 19.237 1.00 21.86 C
ATOM 376 C ASP A 48 25.741 14.578 18.943 1.00 20.15 C
ATOM 377 O ASP A 48 25.153 15.306 18.142 1.00 19.26 O
ATOM 378 CB ASP A 48 27.393 15.409 20.634 1.00 23.07 C
ATOM 379 CG ASP A 48 26.760 16.789 20.750 1.00 25.91 C
ATOM 380 OD1 ASP A 48 27.283 17.740 20.123 1.00 27.32 O
ATOM 381 OD2 ASP A 48 25.747 16.926 21.472 1.00 27.30 O
ATOM 382 N VAL A 49 25.149 13.568 19.568 1.00 19.09 N
ATOM 383 CA VAL A 49 23.732 13.266 19.377 1.00 17.72 C
ATOM 384 C VAL A 49 23.149 13.076 20.770 1.00 17.49 C
ATOM 385 O VAL A 49 23.131 11.965 21.301 1.00 17.33 O
ATOM 386 CB VAL A 49 23.519 11.968 18.552 1.00 17.79 C
ATOM 387 CG1 VAL A 49 22.065 11.849 18.132 1.00 16.09 C
ATOM 388 CG2 VAL A 49 24.425 11.950 17.327 1.00 17.26 C
ATOM 389 N THR A 50 22.709 14.175 21.373 1.00 17.21 N
ATOM 390 CA THR A 50 22.156 14.142 22.720 1.00 17.92 C
ATOM 391 C THR A 50 20.820 14.874 22.814 1.00 17.34 C
ATOM 392 O THR A 50 20.579 15.850 22.097 1.00 17.27 O
ATOM 393 CB THR A 50 23.147 14.761 23.730 1.00 18.53 C
ATOM 394 OG1 THR A 50 23.511 16.076 23.294 1.00 21.33 O
ATOM 395 CG2 THR A 50 24.404 13.907 23.835 1.00 19.82 C
ATOM 396 N PRO A 51 19.928 14.401 23.699 1.00 17.28 N
ATOM 397 CA PRO A 51 18.601 14.989 23.910 1.00 17.07 C
ATOM 398 C PRO A 51 18.670 16.478 24.240 1.00 17.11 C
ATOM 399 O PRO A 51 19.541 16.915 24.996 1.00 17.03 O
ATOM 400 CB PRO A 51 18.069 14.198 25.108 1.00 17.25 C
ATOM 401 CG PRO A 51 18.723 12.881 24.962 1.00 17.94 C
ATOM 402 CD PRO A 51 20.132 13.247 24.593 1.00 17.54 C
ATOM 403 N GLY A 52 17.753 17.246 23.658 1.00 16.76 N
ATOM 404 CA GLY A 52 17.694 18.678 23.907 1.00 17.42 C
ATOM 405 C GLY A 52 18.903 19.509 23.513 1.00 17.56 C
ATOM 406 O GLY A 52 19.028 20.655 23.945 1.00 17.54 O
ATOM 407 N SER A 53 19.785 18.951 22.689 1.00 17.50 N
ATOM 408 CA SER A 53 20.977 19.671 22.254 1.00 17.18 C
ATOM 409 C SER A 53 20.610 20.647 21.145 1.00 16.80 C
ATOM 410 O SER A 53 19.554 20.518 20.522 1.00 16.51 O
ATOM 411 CB SER A 53 22.034 18.692 21.737 1.00 18.05 C
ATOM 412 OG SER A 53 21.592 18.055 20.548 1.00 18.67 O
ATOM 413 N PRO A 54 21.482 21.634 20.878 1.00 17.17 N
ATOM 414 CA PRO A 54 21.231 22.624 19.827 1.00 16.41 C
ATOM 415 C PRO A 54 20.888 21.961 18.492 1.00 15.46 C
ATOM 416 O PRO A 54 19.981 22.406 17.789 1.00 15.50 O
ATOM 417 CB PRO A 54 22.556 23.379 19.763 1.00 17.06 C
ATOM 418 CG PRO A 54 22.973 23.395 21.190 1.00 17.61 C
ATOM 419 CD PRO A 54 22.712 21.969 21.621 1.00 17.47 C
ATOM 420 N ASN A 55 21.607 20.894 18.152 1.00 15.07 N
ATOM 421 CA ASN A 55 21.362 20.163 16.906 1.00 14.47 C
ATOM 422 C ASN A 55 19.964 19.554 16.879 1.00 13.07 C
ATOM 423 O ASN A 55 19.261 19.644 15.872 1.00 12.26 O
ATOM 424 CB ASN A 55 22.401 19.059 16.713 1.00 16.19 C
ATOM 425 CG ASN A 55 23.639 19.545 15.999 1.00 19.01 C
ATOM 426 OD1 ASN A 55 23.611 19.814 14.799 1.00 21.12 O
ATOM 427 ND2 ASN A 55 24.738 19.653 16.728 1.00 19.84 N
ATOM 428 N ILE A 56 19.570 18.934 17.990 1.00 12.08 N
ATOM 429 CA ILE A 56 18.251 18.311 18.116 1.00 11.69 C
ATOM 430 C ILE A 56 17.139 19.365 18.057 1.00 12.36 C
ATOM 431 O ILE A 56 16.095 19.146 17.439 1.00 12.31 O
ATOM 432 CB ILE A 56 18.144 17.481 19.432 1.00 11.74 C
ATOM 433 CG1 ILE A 56 18.946 16.183 19.305 1.00 12.22 C
ATOM 434 CG2 ILE A 56 16.689 17.162 19.768 1.00 10.67 C
ATOM 435 CD1 ILE A 56 18.367 15.192 18.304 1.00 13.78 C
ATOM 436 N LYS A 57 17.360 20.508 18.700 1.00 12.21 N
ATOM 437 CA LYS A 57 16.366 21.573 18.687 1.00 13.23 C
ATOM 438 C LYS A 57 16.177 22.095 17.268 1.00 12.78 C
ATOM 439 O LYS A 57 15.045 22.267 16.810 1.00 12.96 O
ATOM 440 CB LYS A 57 16.771 22.709 19.626 1.00 14.06 C
ATOM 441 CG LYS A 57 16.623 22.369 21.095 1.00 14.98 C
ATOM 442 CD LYS A 57 16.928 23.577 21.960 1.00 17.98 C
ATOM 443 CE LYS A 57 16.645 23.292 23.423 1.00 20.99 C
ATOM 444 NZ LYS A 57 16.952 24.473 24.284 1.00 23.71 N
ATOM 445 N ALA A 58 17.287 22.305 16.564 1.00 12.64 N
ATOM 446 CA ALA A 58 17.248 22.792 15.186 1.00 12.25 C
ATOM 447 C ALA A 58 16.552 21.762 14.301 1.00 12.11 C
ATOM 448 O ALA A 58 15.683 22.103 13.496 1.00 12.05 O
ATOM 449 CB ALA A 58 18.659 23.061 14.677 1.00 11.87 C
ATOM 450 N HIS A 59 16.907 20.493 14.480 1.00 11.35 N
ATOM 451 CA HIS A 59 16.294 19.434 13.693 1.00 10.18 C
ATOM 452 C HIS A 59 14.804 19.322 14.024 1.00 10.38 C
ATOM 453 O HIS A 59 13.993 18.960 13.164 1.00 10.23 O
ATOM 454 CB HIS A 59 16.998 18.095 13.921 1.00 9.98 C
ATOM 455 CG HIS A 59 16.737 17.099 12.836 1.00 10.32 C
ATOM 456 ND1 HIS A 59 17.275 17.224 11.575 1.00 11.01 N
ATOM 457 CD2 HIS A 59 15.948 15.999 12.800 1.00 10.50 C
ATOM 458 CE1 HIS A 59 16.824 16.251 10.807 1.00 11.61 C
ATOM 459 NE2 HIS A 59 16.016 15.494 11.525 1.00 10.52 N
ATOM 460 N GLY A 60 14.451 19.634 15.268 1.00 9.56 N
ATOM 461 CA GLY A 60 13.062 19.588 15.685 1.00 10.59 C
ATOM 462 C GLY A 60 12.247 20.590 14.892 1.00 11.16 C
ATOM 463 O GLY A 60 11.121 20.302 14.469 1.00 10.74 O
ATOM 464 N LYS A 61 12.827 21.770 14.688 1.00 11.60 N
ATOM 465 CA LYS A 61 12.184 22.832 13.922 1.00 11.83 C
ATOM 466 C LYS A 61 12.029 22.396 12.464 1.00 11.66 C
ATOM 467 O LYS A 61 11.033 22.714 11.816 1.00 11.82 O
ATOM 468 CB LYS A 61 13.014 24.117 13.983 1.00 13.27 C
ATOM 469 CG LYS A 61 13.125 24.752 15.357 1.00 16.14 C
ATOM 470 CD LYS A 61 13.909 26.055 15.262 1.00 19.98 C
ATOM 471 CE LYS A 61 14.033 26.758 16.602 1.00 23.02 C
ATOM 472 NZ LYS A 61 14.812 25.957 17.586 1.00 28.38 N
ATOM 473 N LYS A 62 13.024 21.686 11.942 1.00 11.20 N
ATOM 474 CA LYS A 62 12.968 21.212 10.561 1.00 11.34 C
ATOM 475 C LYS A 62 11.826 20.225 10.360 1.00 11.32 C
ATOM 476 O LYS A 62 10.994 20.401 9.468 1.00 10.89 O
ATOM 477 CB LYS A 62 14.289 20.568 10.149 1.00 11.50 C
ATOM 478 CG LYS A 62 15.446 21.534 10.140 1.00 12.71 C
ATOM 479 CD LYS A 62 16.726 20.882 9.663 1.00 13.48 C
ATOM 480 CE LYS A 62 17.894 21.824 9.855 1.00 14.04 C
ATOM 481 NZ LYS A 62 19.178 21.213 9.441 1.00 14.41 N
ATOM 482 N VAL A 63 11.767 19.204 11.209 1.00 10.70 N
ATOM 483 CA VAL A 63 10.718 18.193 11.112 1.00 9.49 C
ATOM 484 C VAL A 63 9.323 18.790 11.301 1.00 8.99 C
ATOM 485 O VAL A 63 8.427 18.540 10.495 1.00 8.85 O
ATOM 486 CB VAL A 63 10.941 17.038 12.122 1.00 9.30 C
ATOM 487 CG1 VAL A 63 9.763 16.074 12.091 1.00 7.76 C
ATOM 488 CG2 VAL A 63 12.237 16.302 11.792 1.00 7.00 C
ATOM 489 N MET A 64 9.140 19.593 12.346 1.00 8.46 N
ATOM 490 CA MET A 64 7.836 20.198 12.593 1.00 8.59 C
ATOM 491 C MET A 64 7.475 21.200 11.503 1.00 8.57 C
ATOM 492 O MET A 64 6.297 21.465 11.262 1.00 9.89 O
ATOM 493 CB MET A 64 7.766 20.832 13.982 1.00 8.89 C
ATOM 494 CG MET A 64 7.891 19.823 15.118 1.00 9.91 C
ATOM 495 SD MET A 64 6.917 18.313 14.879 1.00 11.94 S
ATOM 496 CE MET A 64 5.260 18.949 15.123 1.00 10.87 C
ATOM 497 N GLY A 65 8.491 21.738 10.835 1.00 8.55 N
ATOM 498 CA GLY A 65 8.254 22.659 9.740 1.00 7.83 C
ATOM 499 C GLY A 65 7.697 21.837 8.590 1.00 8.23 C
ATOM 500 O GLY A 65 6.828 22.291 7.840 1.00 7.94 O
ATOM 501 N GLY A 66 8.199 20.610 8.460 1.00 7.51 N
ATOM 502 CA GLY A 66 7.729 19.715 7.418 1.00 7.53 C
ATOM 503 C GLY A 66 6.291 19.325 7.696 1.00 7.66 C
ATOM 504 O GLY A 66 5.467 19.273 6.784 1.00 8.63 O
ATOM 505 N ILE A 67 5.989 19.055 8.963 1.00 6.93 N
ATOM 506 CA ILE A 67 4.639 18.690 9.380 1.00 6.89 C
ATOM 507 C ILE A 67 3.676 19.861 9.127 1.00 7.12 C
ATOM 508 O ILE A 67 2.562 19.656 8.643 1.00 6.39 O
ATOM 509 CB ILE A 67 4.608 18.289 10.878 1.00 7.52 C
ATOM 510 CG1 ILE A 67 5.483 17.049 11.116 1.00 8.72 C
ATOM 511 CG2 ILE A 67 3.171 18.040 11.347 1.00 7.21 C
ATOM 512 CD1 ILE A 67 4.987 15.792 10.438 1.00 9.25 C
ATOM 513 N ALA A 68 4.104 21.081 9.451 1.00 6.80 N
ATOM 514 CA ALA A 68 3.279 22.273 9.232 1.00 7.51 C
ATOM 515 C ALA A 68 2.944 22.374 7.746 1.00 7.70 C
ATOM 516 O ALA A 68 1.799 22.658 7.371 1.00 7.53 O
ATOM 517 CB ALA A 68 4.018 23.530 9.697 1.00 6.75 C
ATOM 518 N LEU A 69 3.948 22.126 6.906 1.00 7.35 N
ATOM 519 CA LEU A 69 3.772 22.150 5.457 1.00 7.72 C
ATOM 520 C LEU A 69 2.767 21.071 5.051 1.00 7.71 C
ATOM 521 O LEU A 69 1.887 21.314 4.229 1.00 8.50 O
ATOM 522 CB LEU A 69 5.111 21.909 4.747 1.00 8.62 C
ATOM 523 CG LEU A 69 5.088 21.793 3.215 1.00 10.00 C
ATOM 524 CD1 LEU A 69 4.548 23.075 2.592 1.00 8.85 C
ATOM 525 CD2 LEU A 69 6.489 21.491 2.688 1.00 9.11 C
ATOM 526 N ALA A 70 2.880 19.890 5.652 1.00 7.03 N
ATOM 527 CA ALA A 70 1.972 18.785 5.355 1.00 6.52 C
ATOM 528 C ALA A 70 0.525 19.140 5.699 1.00 6.56 C
ATOM 529 O ALA A 70 -0.399 18.746 4.990 1.00 5.97 O
ATOM 530 CB ALA A 70 2.400 17.533 6.107 1.00 5.91 C
ATOM 531 N VAL A 71 0.322 19.871 6.792 1.00 7.25 N
ATOM 532 CA VAL A 71 -1.027 20.270 7.182 1.00 8.30 C
ATOM 533 C VAL A 71 -1.611 21.207 6.124 1.00 8.40 C
ATOM 534 O VAL A 71 -2.776 21.072 5.749 1.00 9.61 O
ATOM 535 CB VAL A 71 -1.059 20.939 8.576 1.00 7.73 C
ATOM 536 CG1 VAL A 71 -2.466 21.427 8.903 1.00 7.12 C
ATOM 537 CG2 VAL A 71 -0.606 19.945 9.634 1.00 7.56 C
ATOM 538 N ASER A 72 -0.791 22.133 5.637 0.55 8.92 N
ATOM 539 N BSER A 72 -0.804 22.142 5.631 0.45 8.84 N
ATOM 540 CA ASER A 72 -1.220 23.082 4.613 0.55 9.35 C
ATOM 541 CA BSER A 72 -1.278 23.072 4.609 0.45 9.18 C
ATOM 542 C ASER A 72 -1.480 22.372 3.284 0.55 9.65 C
ATOM 543 C BSER A 72 -1.511 22.349 3.284 0.45 9.50 C
ATOM 544 O ASER A 72 -2.411 22.720 2.552 0.55 10.11 O
ATOM 545 O BSER A 72 -2.454 22.665 2.552 0.45 9.86 O
ATOM 546 CB ASER A 72 -0.158 24.170 4.419 0.55 9.32 C
ATOM 547 CB BSER A 72 -0.290 24.226 4.415 0.45 9.06 C
ATOM 548 OG ASER A 72 0.152 24.807 5.648 0.55 9.94 O
ATOM 549 OG BSER A 72 0.960 23.764 3.940 0.45 9.27 O
ATOM 550 N LYS A 73 -0.666 21.363 2.991 1.00 9.46 N
ATOM 551 CA LYS A 73 -0.780 20.590 1.757 1.00 9.98 C
ATOM 552 C LYS A 73 -1.480 19.246 1.978 1.00 10.05 C
ATOM 553 O LYS A 73 -1.339 18.325 1.171 1.00 10.82 O
ATOM 554 CB LYS A 73 0.614 20.352 1.170 1.00 10.36 C
ATOM 555 CG LYS A 73 1.386 21.623 0.834 1.00 12.92 C
ATOM 556 CD LYS A 73 0.643 22.471 -0.187 1.00 15.92 C
ATOM 557 CE LYS A 73 1.471 23.659 -0.650 1.00 18.11 C
ATOM 558 NZ LYS A 73 1.865 24.531 0.482 1.00 22.75 N
ATOM 559 N ILE A 74 -2.292 19.167 3.025 1.00 10.00 N
ATOM 560 CA ILE A 74 -2.986 17.939 3.392 1.00 9.86 C
ATOM 561 C ILE A 74 -3.851 17.303 2.297 1.00 11.06 C
ATOM 562 O ILE A 74 -4.055 16.087 2.300 1.00 10.30 O
ATOM 563 CB ILE A 74 -3.797 18.147 4.700 1.00 9.31 C
ATOM 564 CG1 ILE A 74 -4.205 16.802 5.304 1.00 9.27 C
ATOM 565 CG2 ILE A 74 -5.005 19.037 4.449 1.00 8.64 C
ATOM 566 CD1 ILE A 74 -4.748 16.917 6.722 1.00 8.56 C
ATOM 567 N ASP A 75 -4.338 18.107 1.354 1.00 12.05 N
ATOM 568 CA ASP A 75 -5.167 17.587 0.266 1.00 13.74 C
ATOM 569 C ASP A 75 -4.371 16.766 -0.745 1.00 13.89 C
ATOM 570 O ASP A 75 -4.936 15.927 -1.451 1.00 13.84 O
ATOM 571 CB ASP A 75 -5.901 18.720 -0.454 1.00 15.77 C
ATOM 572 CG ASP A 75 -6.945 19.380 0.419 1.00 17.17 C
ATOM 573 OD1 ASP A 75 -7.929 18.708 0.789 1.00 18.40 O
ATOM 574 OD2 ASP A 75 -6.781 20.572 0.743 1.00 20.18 O
ATOM 575 N ASP A 76 -3.068 17.013 -0.820 1.00 13.64 N
ATOM 576 CA ASP A 76 -2.199 16.285 -1.739 1.00 14.24 C
ATOM 577 C ASP A 76 -0.790 16.227 -1.150 1.00 13.13 C
ATOM 578 O ASP A 76 0.088 17.013 -1.519 1.00 12.49 O
ATOM 579 CB ASP A 76 -2.182 16.965 -3.115 1.00 16.03 C
ATOM 580 CG ASP A 76 -1.480 16.130 -4.181 1.00 18.98 C
ATOM 581 OD1 ASP A 76 -0.865 15.089 -3.848 1.00 19.23 O
ATOM 582 OD2 ASP A 76 -1.541 16.526 -5.366 1.00 21.16 O
ATOM 583 N LEU A 77 -0.581 15.271 -0.251 1.00 11.91 N
ATOM 584 CA LEU A 77 0.699 15.094 0.423 1.00 12.12 C
ATOM 585 C LEU A 77 1.850 14.714 -0.502 1.00 11.87 C
ATOM 586 O LEU A 77 2.969 15.201 -0.333 1.00 11.15 O
ATOM 587 CB LEU A 77 0.563 14.066 1.550 1.00 11.57 C
ATOM 588 CG LEU A 77 -0.370 14.484 2.694 1.00 11.79 C