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protein.pdb
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HEADER VIRAL PROTEIN 26-JAN-20 6LU7
TITLE THE CRYTAL STRUCTURE OF 2019-NCOV MAIN PROTEASE IN COMPLEX WITH AN
TITLE 2 INHIBITOR N3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NON-STRUCTURAL POLYPROTEIN 1AB;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-
COMPND 7 ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-
COMPND 8 YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE;
COMPND 9 CHAIN: C;
COMPND 10 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BAT SARS-LIKE CORONAVIRUS;
SOURCE 3 ORGANISM_TAXID: 1508227;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1;
SOURCE 8 MOL_ID: 2;
SOURCE 9 SYNTHETIC: YES;
SOURCE 10 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 11 ORGANISM_TAXID: 32630
KEYWDS PROTEASE, VIRAL PROTEIN
EXPDTA X-RAY DIFFRACTION
AUTHOR X.LIU,B.ZHANG,Z.JIN,H.YANG,Z.RAO
REVDAT 1 05-FEB-20 6LU7 0
JRNL AUTH X.LIU,B.ZHANG,Z.JIN,H.YANG,Z.RAO
JRNL TITL THE CRYTAL STRUCTURE OF 2019-NCOV MAIN PROTEASE IN COMPLEX
JRNL TITL 2 WITH AN INHIBITOR N3
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. 2.16 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX 1.17.1_3660
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.16
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 27.81
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340
REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5
REMARK 3 NUMBER OF REFLECTIONS : 19432
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.195
REMARK 3 R VALUE (WORKING SET) : 0.193
REMARK 3 FREE R VALUE : 0.231
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.130
REMARK 3 FREE R VALUE TEST SET COUNT : 997
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 27.8100 - 4.1200 1.00 2689 147 0.1649 0.1988
REMARK 3 2 4.1200 - 3.2700 1.00 2646 148 0.1816 0.2273
REMARK 3 3 3.2700 - 2.8600 1.00 2616 158 0.2086 0.2430
REMARK 3 4 2.8600 - 2.6000 1.00 2644 134 0.2205 0.2576
REMARK 3 5 2.6000 - 2.4100 1.00 2662 123 0.2199 0.2669
REMARK 3 6 2.4100 - 2.2700 1.00 2610 148 0.2343 0.2553
REMARK 3 7 2.2700 - 2.1600 0.97 2568 139 0.2489 0.2935
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : NULL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : NULL
REMARK 3 B_SOL : NULL
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.230
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.240
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.39
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 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : NULL NULL
REMARK 3 ANGLE : NULL NULL
REMARK 3 CHIRALITY : NULL NULL
REMARK 3 PLANARITY : NULL NULL
REMARK 3 DIHEDRAL : NULL NULL
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 6LU7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-JAN-20.
REMARK 100 THE DEPOSITION ID IS D_1300015462.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 12-JAN-20
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SSRF
REMARK 200 BEAMLINE : BL17U1
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.07180
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : PIXEL
REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER2 X 16M
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XIA2
REMARK 200 DATA SCALING SOFTWARE : XIA2
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19455
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.160
REMARK 200 RESOLUTION RANGE LOW (A) : 42.290
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 200 DATA REDUNDANCY : 6.600
REMARK 200 R MERGE (I) : 0.18900
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 6.3000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.16
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.22
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 6.10
REMARK 200 R MERGE FOR SHELL (I) : 1.47200
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: PHASER
REMARK 200 STARTING MODEL: 2HOB
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 53.53
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 2% POLYETHYLENE GLYCOL (PEG) 6000, 3%
REMARK 280 DMSO, 1MM DTT, 0.1M MES BUFFER (PH 6.0), PROTEIN CONCENTRATION
REMARK 280 5MG/ML, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K,
REMARK 280 EVAPORATION
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
REMARK 290 4555 -X+1/2,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 48.96550
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.73850
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 48.96550
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 39.73850
REMARK 290 SMTRY3 4 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: 5160 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 25260 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -25.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 -43.04696
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 94.23992
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 HOH A 571 LIES ON A SPECIAL POSITION.
REMARK 400
REMARK 400 COMPOUND
REMARK 400
REMARK 400 THE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-
REMARK 400 4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)
REMARK 400 -L-LEUCINAMIDE IS PEPTIDE-LIKE, A MEMBER OF INHIBITOR CLASS.
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,
REMARK 400 2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]
REMARK 400 METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
REMARK 400 CHAIN: C
REMARK 400 COMPONENT_1: PEPTIDE LIKE POLYMER
REMARK 400 DESCRIPTION: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 VAL C 3 C LEU C 4 N 0.167
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 33 -126.98 54.74
REMARK 500 ASN A 51 78.55 -153.88
REMARK 500 ASN A 84 -117.01 56.56
REMARK 500 TYR A 154 -78.44 -131.09
REMARK 500 PRO A 184 45.25 -85.01
REMARK 500 THR A 304 -69.14 -123.58
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 EUC A 401
DBREF 6LU7 A 1 306 PDB 6LU7 6LU7 1 306
DBREF 6LU7 C 1 6 PDB 6LU7 6LU7 1 6
SEQRES 1 A 306 SER GLY PHE ARG LYS MET ALA PHE PRO SER GLY LYS VAL
SEQRES 2 A 306 GLU GLY CYS MET VAL GLN VAL THR CYS GLY THR THR THR
SEQRES 3 A 306 LEU ASN GLY LEU TRP LEU ASP ASP VAL VAL TYR CYS PRO
SEQRES 4 A 306 ARG HIS VAL ILE CYS THR SER GLU ASP MET LEU ASN PRO
SEQRES 5 A 306 ASN TYR GLU ASP LEU LEU ILE ARG LYS SER ASN HIS ASN
SEQRES 6 A 306 PHE LEU VAL GLN ALA GLY ASN VAL GLN LEU ARG VAL ILE
SEQRES 7 A 306 GLY HIS SER MET GLN ASN CYS VAL LEU LYS LEU LYS VAL
SEQRES 8 A 306 ASP THR ALA ASN PRO LYS THR PRO LYS TYR LYS PHE VAL
SEQRES 9 A 306 ARG ILE GLN PRO GLY GLN THR PHE SER VAL LEU ALA CYS
SEQRES 10 A 306 TYR ASN GLY SER PRO SER GLY VAL TYR GLN CYS ALA MET
SEQRES 11 A 306 ARG PRO ASN PHE THR ILE LYS GLY SER PHE LEU ASN GLY
SEQRES 12 A 306 SER CYS GLY SER VAL GLY PHE ASN ILE ASP TYR ASP CYS
SEQRES 13 A 306 VAL SER PHE CYS TYR MET HIS HIS MET GLU LEU PRO THR
SEQRES 14 A 306 GLY VAL HIS ALA GLY THR ASP LEU GLU GLY ASN PHE TYR
SEQRES 15 A 306 GLY PRO PHE VAL ASP ARG GLN THR ALA GLN ALA ALA GLY
SEQRES 16 A 306 THR ASP THR THR ILE THR VAL ASN VAL LEU ALA TRP LEU
SEQRES 17 A 306 TYR ALA ALA VAL ILE ASN GLY ASP ARG TRP PHE LEU ASN
SEQRES 18 A 306 ARG PHE THR THR THR LEU ASN ASP PHE ASN LEU VAL ALA
SEQRES 19 A 306 MET LYS TYR ASN TYR GLU PRO LEU THR GLN ASP HIS VAL
SEQRES 20 A 306 ASP ILE LEU GLY PRO LEU SER ALA GLN THR GLY ILE ALA
SEQRES 21 A 306 VAL LEU ASP MET CYS ALA SER LEU LYS GLU LEU LEU GLN
SEQRES 22 A 306 ASN GLY MET ASN GLY ARG THR ILE LEU GLY SER ALA LEU
SEQRES 23 A 306 LEU GLU ASP GLU PHE THR PRO PHE ASP VAL VAL ARG GLN
SEQRES 24 A 306 CYS SER GLY VAL THR PHE GLN
SEQRES 1 C 6 02J ALA VAL LEU PJE 010
HET 02J C 1 8
HET PJE C 5 13
HET 010 C 6 8
HETNAM 02J 5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID
HETNAM PJE (E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-
HETNAM 2 PJE YL]PENT-2-ENOIC ACID
HETNAM 010 PHENYLMETHANOL
FORMUL 2 02J C5 H5 N O3
FORMUL 2 PJE C9 H14 N2 O3
FORMUL 2 010 C7 H8 O
FORMUL 3 HOH *83(H2 O)
HELIX 1 AA1 SER A 10 GLY A 15 1 6
HELIX 2 AA2 HIS A 41 CYS A 44 5 4
HELIX 3 AA3 ASN A 53 ARG A 60 1 8
HELIX 4 AA4 SER A 62 PHE A 66 5 5
HELIX 5 AA5 ILE A 200 ASN A 214 1 15
HELIX 6 AA6 THR A 226 TYR A 237 1 12
HELIX 7 AA7 THR A 243 LEU A 250 1 8
HELIX 8 AA8 LEU A 250 GLY A 258 1 9
HELIX 9 AA9 ALA A 260 GLY A 275 1 16
HELIX 10 AB1 THR A 292 SER A 301 1 10
SHEET 1 AA1 7 VAL A 73 LEU A 75 0
SHEET 2 AA1 7 LEU A 67 ALA A 70 -1 N ALA A 70 O VAL A 73
SHEET 3 AA1 7 MET A 17 CYS A 22 -1 N THR A 21 O LEU A 67
SHEET 4 AA1 7 THR A 25 LEU A 32 -1 O LEU A 27 N VAL A 20
SHEET 5 AA1 7 VAL A 35 PRO A 39 -1 O TYR A 37 N LEU A 30
SHEET 6 AA1 7 VAL A 86 VAL A 91 -1 O LEU A 87 N CYS A 38
SHEET 7 AA1 7 VAL A 77 GLN A 83 -1 N SER A 81 O LYS A 88
SHEET 1 AA2 5 TYR A 101 PHE A 103 0
SHEET 2 AA2 5 VAL A 157 GLU A 166 1 O PHE A 159 N LYS A 102
SHEET 3 AA2 5 VAL A 148 ILE A 152 -1 N ASN A 151 O SER A 158
SHEET 4 AA2 5 THR A 111 TYR A 118 -1 N SER A 113 O PHE A 150
SHEET 5 AA2 5 SER A 121 ALA A 129 -1 O TYR A 126 N VAL A 114
SHEET 1 AA3 3 TYR A 101 PHE A 103 0
SHEET 2 AA3 3 VAL A 157 GLU A 166 1 O PHE A 159 N LYS A 102
SHEET 3 AA3 3 HIS A 172 THR A 175 -1 O ALA A 173 N MET A 165
LINK SG CYS A 145 C20 PJE C 5 1555 1555 1.76
LINK C41 02J C 1 N ALA C 2 1555 1555 1.47
LINK C LEU C 4 N5 PJE C 5 1555 1555 1.49
LINK C22 PJE C 5 O 010 C 6 1555 1555 1.42
SITE 1 AC1 10 THR A 24 THR A 26 PHE A 140 ASN A 142
SITE 2 AC1 10 GLY A 143 CYS A 145 HIS A 163 HIS A 164
SITE 3 AC1 10 GLU A 166 HIS A 172
CRYST1 97.931 79.477 51.803 90.00 114.55 90.00 C 1 2 1 4
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 0.010211 0.000000 0.004665 0.00000
SCALE2 0.000000 0.012582 0.000000 0.00000
SCALE3 0.000000 0.000000 0.021223 0.00000
ATOM 1 N SER A 1 -32.123 9.125 33.767 1.00 39.47 N
ATOM 2 CA SER A 1 -32.163 8.071 34.771 1.00 37.84 C
ATOM 3 C SER A 1 -30.843 7.989 35.527 1.00 34.85 C
ATOM 4 O SER A 1 -30.017 8.897 35.453 1.00 34.02 O
ATOM 5 CB SER A 1 -32.483 6.722 34.125 1.00 45.02 C
ATOM 6 OG SER A 1 -31.294 6.041 33.762 1.00 48.89 O
ATOM 7 N GLY A 2 -30.649 6.889 36.242 1.00 36.63 N
ATOM 8 CA GLY A 2 -29.494 6.710 37.092 1.00 34.87 C
ATOM 9 C GLY A 2 -29.817 6.990 38.551 1.00 38.82 C
ATOM 10 O GLY A 2 -30.812 7.634 38.892 1.00 45.13 O
ATOM 11 N PHE A 3 -28.953 6.492 39.432 1.00 38.58 N
ATOM 12 CA PHE A 3 -29.151 6.675 40.865 1.00 36.55 C
ATOM 13 C PHE A 3 -27.794 6.753 41.543 1.00 45.19 C
ATOM 14 O PHE A 3 -26.988 5.825 41.425 1.00 41.12 O
ATOM 15 CB PHE A 3 -29.987 5.540 41.456 1.00 38.75 C
ATOM 16 CG PHE A 3 -30.646 5.892 42.757 1.00 41.57 C
ATOM 17 CD1 PHE A 3 -31.666 6.828 42.799 1.00 44.04 C
ATOM 18 CD2 PHE A 3 -30.241 5.295 43.938 1.00 41.44 C
ATOM 19 CE1 PHE A 3 -32.273 7.160 43.996 1.00 43.37 C
ATOM 20 CE2 PHE A 3 -30.844 5.620 45.136 1.00 41.57 C
ATOM 21 CZ PHE A 3 -31.861 6.555 45.166 1.00 44.08 C
ATOM 22 N ARG A 4 -27.549 7.853 42.251 1.00 40.18 N
ATOM 23 CA ARG A 4 -26.284 8.072 42.932 1.00 39.46 C
ATOM 24 C ARG A 4 -26.547 8.644 44.316 1.00 42.29 C
ATOM 25 O ARG A 4 -27.551 9.324 44.543 1.00 37.65 O
ATOM 26 CB ARG A 4 -25.374 9.029 42.143 1.00 38.47 C
ATOM 27 CG ARG A 4 -24.676 8.396 40.953 1.00 44.36 C
ATOM 28 CD ARG A 4 -23.334 7.804 41.355 1.00 43.49 C
ATOM 29 NE ARG A 4 -22.454 7.621 40.204 1.00 48.88 N
ATOM 30 CZ ARG A 4 -21.241 7.080 40.267 1.00 55.13 C
ATOM 31 NH1 ARG A 4 -20.757 6.662 41.431 1.00 48.41 N
ATOM 32 NH2 ARG A 4 -20.511 6.951 39.165 1.00 50.44 N
ATOM 33 N LYS A 5 -25.637 8.356 45.245 1.00 35.92 N
ATOM 34 CA LYS A 5 -25.661 9.043 46.528 1.00 38.24 C
ATOM 35 C LYS A 5 -25.405 10.521 46.270 1.00 33.39 C
ATOM 36 O LYS A 5 -24.293 10.910 45.899 1.00 35.82 O
ATOM 37 CB LYS A 5 -24.631 8.452 47.493 1.00 40.01 C
ATOM 38 CG LYS A 5 -25.125 8.332 48.930 1.00 40.89 C
ATOM 39 CD LYS A 5 -24.328 7.297 49.715 1.00 45.99 C
ATOM 40 CE LYS A 5 -25.028 5.946 49.724 1.00 49.39 C
ATOM 41 NZ LYS A 5 -24.132 4.853 50.192 1.00 61.97 N
ATOM 42 N MET A 6 -26.431 11.347 46.438 1.00 26.05 N
ATOM 43 CA MET A 6 -26.391 12.742 46.029 1.00 37.76 C
ATOM 44 C MET A 6 -26.431 13.642 47.255 1.00 31.30 C
ATOM 45 O MET A 6 -27.327 13.517 48.096 1.00 29.63 O
ATOM 46 CB MET A 6 -27.559 13.061 45.096 1.00 32.80 C
ATOM 47 CG MET A 6 -27.373 14.321 44.277 1.00 43.54 C
ATOM 48 SD MET A 6 -28.604 14.462 42.967 1.00 50.42 S
ATOM 49 CE MET A 6 -28.231 13.022 41.977 1.00 43.87 C
ATOM 50 N ALA A 7 -25.461 14.541 47.355 1.00 24.91 N
ATOM 51 CA ALA A 7 -25.456 15.545 48.404 1.00 31.87 C
ATOM 52 C ALA A 7 -26.136 16.818 47.913 1.00 39.23 C
ATOM 53 O ALA A 7 -26.221 17.082 46.711 1.00 31.86 O
ATOM 54 CB ALA A 7 -24.028 15.850 48.851 1.00 31.97 C
ATOM 55 N PHE A 8 -26.635 17.605 48.862 1.00 35.15 N
ATOM 56 CA PHE A 8 -27.188 18.901 48.514 1.00 34.34 C
ATOM 57 C PHE A 8 -26.061 19.858 48.129 1.00 35.71 C
ATOM 58 O PHE A 8 -24.934 19.728 48.618 1.00 38.12 O
ATOM 59 CB PHE A 8 -27.986 19.481 49.679 1.00 32.37 C
ATOM 60 CG PHE A 8 -29.345 18.862 49.855 1.00 33.48 C
ATOM 61 CD1 PHE A 8 -30.403 19.237 49.044 1.00 38.16 C
ATOM 62 CD2 PHE A 8 -29.563 17.907 50.832 1.00 32.48 C
ATOM 63 CE1 PHE A 8 -31.653 18.669 49.205 1.00 38.81 C
ATOM 64 CE2 PHE A 8 -30.810 17.337 51.000 1.00 35.41 C
ATOM 65 CZ PHE A 8 -31.856 17.718 50.185 1.00 41.05 C
ATOM 66 N PRO A 9 -26.331 20.813 47.237 1.00 35.74 N
ATOM 67 CA PRO A 9 -25.322 21.831 46.925 1.00 37.05 C
ATOM 68 C PRO A 9 -24.921 22.590 48.181 1.00 33.44 C
ATOM 69 O PRO A 9 -25.765 22.971 48.994 1.00 37.79 O
ATOM 70 CB PRO A 9 -26.031 22.739 45.914 1.00 38.12 C
ATOM 71 CG PRO A 9 -27.100 21.891 45.328 1.00 42.16 C
ATOM 72 CD PRO A 9 -27.550 20.980 46.431 1.00 40.58 C
ATOM 73 N SER A 10 -23.618 22.806 48.333 1.00 35.84 N
ATOM 74 CA SER A 10 -23.051 23.274 49.589 1.00 37.86 C
ATOM 75 C SER A 10 -22.759 24.767 49.606 1.00 37.78 C
ATOM 76 O SER A 10 -22.194 25.256 50.589 1.00 34.54 O
ATOM 77 CB SER A 10 -21.764 22.504 49.894 1.00 32.55 C
ATOM 78 OG SER A 10 -20.789 22.746 48.894 1.00 37.17 O
ATOM 79 N GLY A 11 -23.132 25.500 48.554 1.00 41.59 N
ATOM 80 CA GLY A 11 -22.759 26.905 48.469 1.00 37.82 C
ATOM 81 C GLY A 11 -23.288 27.738 49.622 1.00 38.17 C
ATOM 82 O GLY A 11 -22.576 28.586 50.165 1.00 46.20 O
ATOM 83 N LYS A 12 -24.543 27.510 50.013 1.00 37.59 N
ATOM 84 CA LYS A 12 -25.131 28.291 51.094 1.00 35.29 C
ATOM 85 C LYS A 12 -24.533 27.951 52.452 1.00 39.45 C
ATOM 86 O LYS A 12 -24.610 28.774 53.371 1.00 40.37 O
ATOM 87 CB LYS A 12 -26.645 28.092 51.116 1.00 43.36 C
ATOM 88 CG LYS A 12 -27.335 28.643 49.877 1.00 42.59 C
ATOM 89 CD LYS A 12 -28.622 27.898 49.574 1.00 56.17 C
ATOM 90 CE LYS A 12 -29.827 28.647 50.115 1.00 58.47 C
ATOM 91 NZ LYS A 12 -30.118 28.279 51.526 1.00 57.00 N
ATOM 92 N VAL A 13 -23.942 26.768 52.602 1.00 38.84 N
ATOM 93 CA VAL A 13 -23.265 26.423 53.848 1.00 36.45 C
ATOM 94 C VAL A 13 -21.796 26.836 53.817 1.00 35.89 C
ATOM 95 O VAL A 13 -21.233 27.194 54.858 1.00 39.94 O
ATOM 96 CB VAL A 13 -23.412 24.918 54.137 1.00 33.08 C
ATOM 97 CG1 VAL A 13 -22.718 24.545 55.441 1.00 35.45 C
ATOM 98 CG2 VAL A 13 -24.881 24.529 54.185 1.00 32.26 C
ATOM 99 N GLU A 14 -21.169 26.803 52.637 1.00 32.12 N
ATOM 100 CA GLU A 14 -19.777 27.225 52.506 1.00 38.47 C
ATOM 101 C GLU A 14 -19.569 28.645 53.026 1.00 40.82 C
ATOM 102 O GLU A 14 -18.554 28.935 53.672 1.00 36.71 O
ATOM 103 CB GLU A 14 -19.339 27.127 51.043 1.00 41.06 C
ATOM 104 CG GLU A 14 -18.966 25.723 50.591 1.00 42.30 C
ATOM 105 CD GLU A 14 -18.918 25.588 49.078 1.00 42.09 C
ATOM 106 OE1 GLU A 14 -19.888 25.060 48.493 1.00 38.88 O
ATOM 107 OE2 GLU A 14 -17.907 26.008 48.474 1.00 41.39 O
ATOM 108 N GLY A 15 -20.518 29.541 52.763 1.00 34.30 N
ATOM 109 CA GLY A 15 -20.379 30.919 53.195 1.00 39.75 C
ATOM 110 C GLY A 15 -20.493 31.149 54.687 1.00 44.67 C
ATOM 111 O GLY A 15 -20.345 32.292 55.130 1.00 42.98 O
ATOM 112 N CYS A 16 -20.750 30.106 55.477 1.00 36.72 N
ATOM 113 CA CYS A 16 -20.913 30.239 56.917 1.00 36.86 C
ATOM 114 C CYS A 16 -19.814 29.563 57.721 1.00 34.81 C
ATOM 115 O CYS A 16 -19.847 29.625 58.954 1.00 37.69 O
ATOM 116 CB CYS A 16 -22.271 29.680 57.357 1.00 37.94 C
ATOM 117 SG CYS A 16 -23.639 30.079 56.269 1.00 51.31 S
ATOM 118 N MET A 17 -18.844 28.925 57.070 1.00 31.48 N
ATOM 119 CA MET A 17 -17.792 28.222 57.792 1.00 32.31 C
ATOM 120 C MET A 17 -16.681 29.187 58.184 1.00 40.54 C
ATOM 121 O MET A 17 -16.200 29.969 57.358 1.00 39.88 O
ATOM 122 CB MET A 17 -17.230 27.081 56.947 1.00 36.48 C
ATOM 123 CG MET A 17 -18.246 25.997 56.629 1.00 34.97 C
ATOM 124 SD MET A 17 -19.256 25.554 58.057 1.00 45.31 S
ATOM 125 CE MET A 17 -18.020 24.865 59.161 1.00 34.13 C
ATOM 126 N VAL A 18 -16.280 29.135 59.452 1.00 31.25 N
ATOM 127 CA VAL A 18 -15.189 29.945 59.967 1.00 35.88 C
ATOM 128 C VAL A 18 -14.232 29.035 60.725 1.00 36.34 C
ATOM 129 O VAL A 18 -14.523 27.869 60.994 1.00 33.18 O
ATOM 130 CB VAL A 18 -15.681 31.089 60.877 1.00 34.17 C
ATOM 131 CG1 VAL A 18 -16.525 32.074 60.083 1.00 34.57 C
ATOM 132 CG2 VAL A 18 -16.463 30.526 62.053 1.00 33.36 C
ATOM 133 N GLN A 19 -13.072 29.587 61.055 1.00 35.08 N
ATOM 134 CA GLN A 19 -12.066 28.901 61.848 1.00 37.47 C
ATOM 135 C GLN A 19 -12.050 29.512 63.240 1.00 40.84 C
ATOM 136 O GLN A 19 -11.973 30.736 63.385 1.00 38.26 O
ATOM 137 CB GLN A 19 -10.685 29.007 61.199 1.00 41.14 C
ATOM 138 CG GLN A 19 -9.569 28.408 62.037 1.00 45.81 C
ATOM 139 CD GLN A 19 -8.198 28.631 61.431 1.00 54.17 C
ATOM 140 OE1 GLN A 19 -7.615 27.725 60.836 1.00 56.11 O
ATOM 141 NE2 GLN A 19 -7.676 29.844 61.579 1.00 59.59 N
ATOM 142 N VAL A 20 -12.142 28.661 64.256 1.00 38.37 N
ATOM 143 CA VAL A 20 -12.164 29.085 65.649 1.00 38.46 C
ATOM 144 C VAL A 20 -10.915 28.537 66.320 1.00 39.83 C
ATOM 145 O VAL A 20 -10.672 27.325 66.294 1.00 41.31 O
ATOM 146 CB VAL A 20 -13.429 28.603 66.373 1.00 37.37 C
ATOM 147 CG1 VAL A 20 -13.446 29.121 67.807 1.00 34.93 C
ATOM 148 CG2 VAL A 20 -14.670 29.040 65.616 1.00 29.98 C
ATOM 149 N THR A 21 -10.125 29.425 66.917 1.00 42.63 N
ATOM 150 CA THR A 21 -8.910 29.041 67.622 1.00 39.54 C
ATOM 151 C THR A 21 -8.992 29.513 69.065 1.00 42.39 C
ATOM 152 O THR A 21 -9.321 30.673 69.329 1.00 39.63 O
ATOM 153 CB THR A 21 -7.660 29.621 66.952 1.00 43.69 C
ATOM 154 OG1 THR A 21 -7.617 29.212 65.581 1.00 49.03 O
ATOM 155 CG2 THR A 21 -6.403 29.129 67.657 1.00 46.00 C
ATOM 156 N CYS A 22 -8.701 28.605 69.992 1.00 45.96 N
ATOM 157 CA CYS A 22 -8.581 28.922 71.409 1.00 43.24 C
ATOM 158 C CYS A 22 -7.285 28.288 71.892 1.00 48.40 C
ATOM 159 O CYS A 22 -7.201 27.061 72.019 1.00 48.02 O
ATOM 160 CB CYS A 22 -9.783 28.410 72.202 1.00 35.65 C
ATOM 161 SG CYS A 22 -9.841 28.980 73.908 1.00 58.69 S
ATOM 162 N GLY A 23 -6.274 29.116 72.135 1.00 44.51 N
ATOM 163 CA GLY A 23 -4.954 28.607 72.446 1.00 49.61 C
ATOM 164 C GLY A 23 -4.317 27.944 71.243 1.00 48.41 C
ATOM 165 O GLY A 23 -4.156 28.573 70.193 1.00 58.40 O
ATOM 166 N THR A 24 -3.958 26.670 71.379 1.00 46.39 N
ATOM 167 CA THR A 24 -3.399 25.895 70.281 1.00 54.48 C
ATOM 168 C THR A 24 -4.424 24.974 69.632 1.00 51.08 C
ATOM 169 O THR A 24 -4.066 24.196 68.742 1.00 58.92 O
ATOM 170 CB THR A 24 -2.199 25.079 70.766 1.00 52.84 C
ATOM 171 OG1 THR A 24 -2.548 24.379 71.966 1.00 56.59 O
ATOM 172 CG2 THR A 24 -1.015 25.992 71.044 1.00 56.74 C
ATOM 173 N THR A 25 -5.682 25.043 70.054 1.00 50.26 N
ATOM 174 CA THR A 25 -6.756 24.245 69.477 1.00 48.63 C
ATOM 175 C THR A 25 -7.478 25.056 68.409 1.00 45.31 C
ATOM 176 O THR A 25 -7.924 26.177 68.672 1.00 42.42 O
ATOM 177 CB THR A 25 -7.747 23.802 70.555 1.00 45.51 C
ATOM 178 OG1 THR A 25 -7.033 23.237 71.662 1.00 53.22 O
ATOM 179 CG2 THR A 25 -8.712 22.768 70.002 1.00 45.66 C
ATOM 180 N THR A 26 -7.595 24.489 67.209 1.00 47.49 N
ATOM 181 CA THR A 26 -8.264 25.148 66.094 1.00 44.56 C
ATOM 182 C THR A 26 -9.227 24.174 65.432 1.00 41.31 C
ATOM 183 O THR A 26 -8.840 23.058 65.074 1.00 44.05 O
ATOM 184 CB THR A 26 -7.250 25.676 65.068 1.00 46.39 C
ATOM 185 OG1 THR A 26 -7.925 26.014 63.849 1.00 51.80 O
ATOM 186 CG2 THR A 26 -6.172 24.634 64.783 1.00 47.75 C
ATOM 187 N LEU A 27 -10.480 24.590 65.272 1.00 37.32 N
ATOM 188 CA LEU A 27 -11.471 23.774 64.584 1.00 36.59 C
ATOM 189 C LEU A 27 -12.401 24.700 63.809 1.00 38.70 C
ATOM 190 O LEU A 27 -12.171 25.910 63.712 1.00 29.85 O
ATOM 191 CB LEU A 27 -12.224 22.870 65.569 1.00 37.88 C
ATOM 192 CG LEU A 27 -12.645 23.424 66.930 1.00 36.71 C
ATOM 193 CD1 LEU A 27 -13.840 24.356 66.800 1.00 33.24 C
ATOM 194 CD2 LEU A 27 -12.960 22.279 67.882 1.00 31.49 C
ATOM 195 N ASN A 28 -13.459 24.124 63.251 1.00 29.92 N
ATOM 196 CA ASN A 28 -14.380 24.867 62.410 1.00 32.69 C
ATOM 197 C ASN A 28 -15.558 25.377 63.225 1.00 27.74 C
ATOM 198 O ASN A 28 -15.985 24.751 64.199 1.00 31.03 O
ATOM 199 CB ASN A 28 -14.884 23.995 61.260 1.00 30.24 C
ATOM 200 CG ASN A 28 -13.757 23.389 60.460 1.00 31.82 C
ATOM 201 OD1 ASN A 28 -13.177 24.040 59.594 1.00 34.02 O
ATOM 202 ND2 ASN A 28 -13.431 22.137 60.753 1.00 36.45 N
ATOM 203 N GLY A 29 -16.084 26.529 62.811 1.00 28.57 N
ATOM 204 CA GLY A 29 -17.275 27.078 63.414 1.00 29.41 C
ATOM 205 C GLY A 29 -18.301 27.436 62.357 1.00 29.72 C
ATOM 206 O GLY A 29 -17.982 27.622 61.183 1.00 31.49 O
ATOM 207 N LEU A 30 -19.553 27.529 62.800 1.00 31.50 N
ATOM 208 CA LEU A 30 -20.682 27.879 61.944 1.00 31.57 C
ATOM 209 C LEU A 30 -21.113 29.304 62.273 1.00 31.99 C
ATOM 210 O LEU A 30 -21.631 29.564 63.364 1.00 32.54 O
ATOM 211 CB LEU A 30 -21.836 26.895 62.134 1.00 30.39 C
ATOM 212 CG LEU A 30 -22.979 26.993 61.124 1.00 32.95 C
ATOM 213 CD1 LEU A 30 -22.489 26.612 59.735 1.00 32.67 C
ATOM 214 CD2 LEU A 30 -24.154 26.119 61.538 1.00 30.80 C
ATOM 215 N TRP A 31 -20.912 30.218 61.324 1.00 33.09 N
ATOM 216 CA TRP A 31 -21.171 31.645 61.517 1.00 31.63 C
ATOM 217 C TRP A 31 -22.531 31.982 60.914 1.00 34.40 C
ATOM 218 O TRP A 31 -22.670 32.106 59.694 1.00 31.87 O
ATOM 219 CB TRP A 31 -20.057 32.475 60.889 1.00 34.15 C
ATOM 220 CG TRP A 31 -20.200 33.960 61.082 1.00 38.48 C
ATOM 221 CD1 TRP A 31 -20.975 34.601 62.006 1.00 35.23 C
ATOM 222 CD2 TRP A 31 -19.544 34.987 60.329 1.00 37.33 C
ATOM 223 NE1 TRP A 31 -20.845 35.962 61.870 1.00 38.47 N
ATOM 224 CE2 TRP A 31 -19.971 36.225 60.849 1.00 41.25 C
ATOM 225 CE3 TRP A 31 -18.639 34.979 59.262 1.00 39.43 C
ATOM 226 CZ2 TRP A 31 -19.523 37.444 60.341 1.00 41.16 C
ATOM 227 CZ3 TRP A 31 -18.195 36.190 58.758 1.00 47.07 C
ATOM 228 CH2 TRP A 31 -18.637 37.405 59.299 1.00 43.10 C
ATOM 229 N LEU A 32 -23.535 32.132 61.774 1.00 29.21 N
ATOM 230 CA LEU A 32 -24.886 32.490 61.369 1.00 30.98 C
ATOM 231 C LEU A 32 -25.300 33.753 62.107 1.00 39.24 C
ATOM 232 O LEU A 32 -25.249 33.796 63.341 1.00 37.53 O
ATOM 233 CB LEU A 32 -25.871 31.357 61.661 1.00 37.20 C
ATOM 234 CG LEU A 32 -25.636 30.030 60.936 1.00 34.62 C
ATOM 235 CD1 LEU A 32 -26.532 28.960 61.521 1.00 33.05 C
ATOM 236 CD2 LEU A 32 -25.888 30.179 59.442 1.00 33.28 C
ATOM 237 N ASP A 33 -25.710 34.773 61.352 1.00 40.59 N
ATOM 238 CA ASP A 33 -26.017 36.100 61.901 1.00 41.95 C
ATOM 239 C ASP A 33 -24.778 36.558 62.674 1.00 39.30 C
ATOM 240 O ASP A 33 -23.672 36.527 62.117 1.00 42.41 O
ATOM 241 CB ASP A 33 -27.313 36.040 62.703 1.00 42.71 C
ATOM 242 CG ASP A 33 -28.481 35.504 61.889 1.00 51.62 C
ATOM 243 OD1 ASP A 33 -28.665 35.952 60.737 1.00 54.19 O
ATOM 244 OD2 ASP A 33 -29.219 34.635 62.403 1.00 55.59 O
ATOM 245 N ASP A 34 -24.900 36.955 63.939 1.00 36.07 N
ATOM 246 CA ASP A 34 -23.761 37.404 64.729 1.00 40.14 C
ATOM 247 C ASP A 34 -23.350 36.375 65.779 1.00 40.57 C
ATOM 248 O ASP A 34 -22.815 36.731 66.831 1.00 38.50 O
ATOM 249 CB ASP A 34 -24.067 38.748 65.391 1.00 43.20 C
ATOM 250 CG ASP A 34 -25.304 38.698 66.265 1.00 52.43 C
ATOM 251 OD1 ASP A 34 -26.367 38.267 65.768 1.00 58.81 O
ATOM 252 OD2 ASP A 34 -25.214 39.090 67.448 1.00 54.76 O
ATOM 253 N VAL A 35 -23.595 35.094 65.507 1.00 35.54 N
ATOM 254 CA VAL A 35 -23.253 34.013 66.422 1.00 33.64 C
ATOM 255 C VAL A 35 -22.402 32.994 65.680 1.00 36.01 C
ATOM 256 O VAL A 35 -22.690 32.650 64.528 1.00 32.31 O
ATOM 257 CB VAL A 35 -24.512 33.340 67.011 1.00 35.09 C
ATOM 258 CG1 VAL A 35 -24.118 32.231 67.977 1.00 32.06 C
ATOM 259 CG2 VAL A 35 -25.395 34.367 67.705 1.00 32.21 C
ATOM 260 N VAL A 36 -21.355 32.512 66.343 1.00 31.18 N
ATOM 261 CA VAL A 36 -20.504 31.447 65.827 1.00 34.20 C
ATOM 262 C VAL A 36 -20.689 30.226 66.720 1.00 35.05 C
ATOM 263 O VAL A 36 -20.501 30.306 67.939 1.00 35.15 O
ATOM 264 CB VAL A 36 -19.030 31.877 65.768 1.00 32.44 C
ATOM 265 CG1 VAL A 36 -18.144 30.694 65.422 1.00 29.37 C
ATOM 266 CG2 VAL A 36 -18.849 32.996 64.757 1.00 31.59 C
ATOM 267 N TYR A 37 -21.071 29.104 66.116 1.00 31.00 N
ATOM 268 CA TYR A 37 -21.263 27.846 66.824 1.00 26.15 C
ATOM 269 C TYR A 37 -20.089 26.923 66.532 1.00 33.69 C
ATOM 270 O TYR A 37 -19.673 26.789 65.379 1.00 33.57 O
ATOM 271 CB TYR A 37 -22.572 27.169 66.402 1.00 32.06 C
ATOM 272 CG TYR A 37 -23.800 28.048 66.492 1.00 27.82 C
ATOM 273 CD1 TYR A 37 -24.085 28.985 65.505 1.00 31.26 C
ATOM 274 CD2 TYR A 37 -24.683 27.929 67.556 1.00 30.43 C
ATOM 275 CE1 TYR A 37 -25.204 29.789 65.585 1.00 25.44 C
ATOM 276 CE2 TYR A 37 -25.808 28.724 67.641 1.00 29.23 C
ATOM 277 CZ TYR A 37 -26.062 29.652 66.653 1.00 31.46 C
ATOM 278 OH TYR A 37 -27.176 30.451 66.737 1.00 33.42 O
ATOM 279 N CYS A 38 -19.556 26.286 67.573 1.00 27.74 N
ATOM 280 CA CYS A 38 -18.433 25.374 67.401 1.00 29.61 C
ATOM 281 C CYS A 38 -18.445 24.361 68.542 1.00 31.83 C
ATOM 282 O CYS A 38 -19.075 24.599 69.581 1.00 29.83 O
ATOM 283 CB CYS A 38 -17.096 26.136 67.353 1.00 34.78 C
ATOM 284 SG CYS A 38 -16.553 26.891 68.906 1.00 40.43 S
ATOM 285 N PRO A 39 -17.783 23.213 68.369 1.00 27.50 N
ATOM 286 CA PRO A 39 -17.691 22.246 69.471 1.00 30.61 C
ATOM 287 C PRO A 39 -17.000 22.861 70.677 1.00 31.83 C
ATOM 288 O PRO A 39 -16.054 23.639 70.544 1.00 33.81 O
ATOM 289 CB PRO A 39 -16.868 21.099 68.876 1.00 27.65 C
ATOM 290 CG PRO A 39 -17.051 21.227 67.397 1.00 31.95 C
ATOM 291 CD PRO A 39 -17.177 22.697 67.129 1.00 32.93 C
ATOM 292 N ARG A 40 -17.486 22.504 71.866 1.00 30.78 N
ATOM 293 CA ARG A 40 -17.002 23.155 73.076 1.00 38.65 C
ATOM 294 C ARG A 40 -15.605 22.698 73.470 1.00 36.15 C
ATOM 295 O ARG A 40 -14.939 23.393 74.245 1.00 38.97 O
ATOM 296 CB ARG A 40 -17.979 22.918 74.229 1.00 37.88 C
ATOM 297 CG ARG A 40 -17.930 21.521 74.811 1.00 34.40 C
ATOM 298 CD ARG A 40 -18.790 21.430 76.058 1.00 38.26 C
ATOM 299 NE ARG A 40 -19.058 20.045 76.438 1.00 39.09 N
ATOM 300 CZ ARG A 40 -19.762 19.691 77.507 1.00 36.96 C
ATOM 301 NH1 ARG A 40 -20.265 20.620 78.309 1.00 37.15 N
ATOM 302 NH2 ARG A 40 -19.956 18.408 77.778 1.00 37.04 N
ATOM 303 N HIS A 41 -15.133 21.565 72.952 1.00 34.76 N
ATOM 304 CA HIS A 41 -13.800 21.093 73.307 1.00 40.53 C
ATOM 305 C HIS A 41 -12.688 21.850 72.588 1.00 37.15 C
ATOM 306 O HIS A 41 -11.528 21.433 72.665 1.00 39.51 O
ATOM 307 CB HIS A 41 -13.672 19.588 73.044 1.00 41.52 C
ATOM 308 CG HIS A 41 -14.024 19.177 71.649 1.00 40.87 C
ATOM 309 ND1 HIS A 41 -13.124 19.232 70.607 1.00 40.32 N
ATOM 310 CD2 HIS A 41 -15.174 18.687 71.129 1.00 35.58 C
ATOM 311 CE1 HIS A 41 -13.705 18.799 69.503 1.00 38.32 C
ATOM 312 NE2 HIS A 41 -14.949 18.463 69.792 1.00 41.93 N
ATOM 313 N VAL A 42 -13.011 22.947 71.898 1.00 34.91 N
ATOM 314 CA VAL A 42 -11.974 23.849 71.413 1.00 40.00 C
ATOM 315 C VAL A 42 -11.257 24.529 72.573 1.00 40.51 C
ATOM 316 O VAL A 42 -10.133 25.018 72.405 1.00 46.40 O
ATOM 317 CB VAL A 42 -12.575 24.884 70.437 1.00 34.22 C
ATOM 318 CG1 VAL A 42 -13.477 25.867 71.163 1.00 27.69 C
ATOM 319 CG2 VAL A 42 -11.480 25.618 69.672 1.00 36.15 C
ATOM 320 N ILE A 43 -11.872 24.553 73.762 1.00 39.56 N
ATOM 321 CA ILE A 43 -11.240 25.139 74.941 1.00 45.10 C
ATOM 322 C ILE A 43 -10.341 24.156 75.678 1.00 44.64 C
ATOM 323 O ILE A 43 -9.734 24.530 76.691 1.00 54.59 O
ATOM 324 CB ILE A 43 -12.295 25.689 75.923 1.00 38.10 C
ATOM 325 CG1 ILE A 43 -13.033 24.539 76.616 1.00 38.15 C
ATOM 326 CG2 ILE A 43 -13.265 26.604 75.204 1.00 38.71 C
ATOM 327 CD1 ILE A 43 -14.206 24.982 77.467 1.00 36.89 C
ATOM 328 N CYS A 44 -10.236 22.916 75.215 1.00 50.17 N
ATOM 329 CA CYS A 44 -9.374 21.930 75.848 1.00 51.55 C
ATOM 330 C CYS A 44 -8.035 21.833 75.131 1.00 58.73 C
ATOM 331 O CYS A 44 -7.869 22.277 73.992 1.00 55.05 O
ATOM 332 CB CYS A 44 -10.024 20.544 75.868 1.00 52.66 C
ATOM 333 SG CYS A 44 -11.752 20.495 76.339 1.00 56.53 S
ATOM 334 N THR A 45 -7.079 21.227 75.821 1.00 62.17 N
ATOM 335 CA THR A 45 -5.804 20.834 75.246 1.00 66.95 C
ATOM 336 C THR A 45 -5.630 19.328 75.457 1.00 67.85 C
ATOM 337 O THR A 45 -6.537 18.643 75.939 1.00 67.73 O
ATOM 338 CB THR A 45 -4.662 21.657 75.852 1.00 72.19 C
ATOM 339 OG1 THR A 45 -3.488 21.511 75.042 1.00 76.65 O
ATOM 340 CG2 THR A 45 -4.358 21.205 77.280 1.00 67.57 C
ATOM 341 N SER A 46 -4.452 18.817 75.086 1.00 70.73 N
ATOM 342 CA SER A 46 -4.213 17.377 75.115 1.00 70.10 C
ATOM 343 C SER A 46 -4.357 16.792 76.516 1.00 71.91 C
ATOM 344 O SER A 46 -4.832 15.660 76.665 1.00 74.41 O
ATOM 345 CB SER A 46 -2.823 17.074 74.554 1.00 67.74 C
ATOM 346 OG SER A 46 -2.709 17.534 73.219 1.00 68.44 O
ATOM 347 N GLU A 47 -3.958 17.535 77.548 1.00 72.73 N
ATOM 348 CA GLU A 47 -4.055 17.038 78.915 1.00 72.94 C
ATOM 349 C GLU A 47 -5.467 17.122 79.482 1.00 70.85 C
ATOM 350 O GLU A 47 -5.727 16.540 80.541 1.00 72.06 O
ATOM 351 CB GLU A 47 -3.088 17.805 79.823 1.00 74.99 C
ATOM 352 CG GLU A 47 -2.589 17.000 81.017 1.00 83.70 C
ATOM 353 CD GLU A 47 -1.177 17.371 81.433 1.00 90.35 C
ATOM 354 OE1 GLU A 47 -1.015 17.995 82.503 1.00 90.01 O
ATOM 355 OE2 GLU A 47 -0.229 17.035 80.691 1.00 88.28 O
ATOM 356 N ASP A 48 -6.381 17.819 78.809 1.00 68.53 N
ATOM 357 CA ASP A 48 -7.741 17.976 79.308 1.00 67.65 C
ATOM 358 C ASP A 48 -8.696 16.912 78.786 1.00 63.36 C
ATOM 359 O ASP A 48 -9.691 16.608 79.452 1.00 57.88 O
ATOM 360 CB ASP A 48 -8.289 19.357 78.928 1.00 69.81 C
ATOM 361 CG ASP A 48 -7.603 20.490 79.672 1.00 72.57 C
ATOM 362 OD1 ASP A 48 -7.611 20.476 80.921 1.00 74.99 O
ATOM 363 OD2 ASP A 48 -7.066 21.401 79.004 1.00 67.00 O
ATOM 364 N MET A 49 -8.403 16.324 77.624 1.00 65.87 N
ATOM 365 CA MET A 49 -9.410 15.608 76.849 1.00 62.77 C
ATOM 366 C MET A 49 -9.801 14.253 77.431 1.00 56.24 C
ATOM 367 O MET A 49 -10.748 13.641 76.924 1.00 51.39 O
ATOM 368 CB MET A 49 -8.917 15.432 75.410 1.00 62.92 C
ATOM 369 CG MET A 49 -8.945 16.717 74.589 1.00 61.61 C
ATOM 370 SD MET A 49 -8.192 16.541 72.958 1.00 78.49 S
ATOM 371 CE MET A 49 -8.752 18.042 72.151 1.00 62.19 C
ATOM 372 N LEU A 50 -9.118 13.764 78.469 1.00 55.15 N
ATOM 373 CA LEU A 50 -9.506 12.479 79.045 1.00 51.16 C
ATOM 374 C LEU A 50 -10.787 12.608 79.860 1.00 51.52 C
ATOM 375 O LEU A 50 -11.711 11.799 79.720 1.00 54.06 O
ATOM 376 CB LEU A 50 -8.379 11.914 79.908 1.00 57.11 C
ATOM 377 CG LEU A 50 -8.761 10.650 80.685 1.00 57.13 C
ATOM 378 CD1 LEU A 50 -9.176 9.534 79.731 1.00 53.94 C
ATOM 379 CD2 LEU A 50 -7.622 10.195 81.584 1.00 61.48 C
ATOM 380 N ASN A 51 -10.853 13.613 80.728 1.00 55.44 N
ATOM 381 CA ASN A 51 -12.067 13.906 81.492 1.00 57.86 C
ATOM 382 C ASN A 51 -12.069 15.379 81.856 1.00 54.29 C
ATOM 383 O ASN A 51 -11.749 15.764 82.988 1.00 60.07 O
ATOM 384 CB ASN A 51 -12.167 13.034 82.745 1.00 60.53 C
ATOM 385 CG ASN A 51 -13.443 13.289 83.527 1.00 67.33 C
ATOM 386 OD1 ASN A 51 -14.547 13.098 83.014 1.00 69.93 O
ATOM 387 ND2 ASN A 51 -13.298 13.726 84.773 1.00 67.17 N
ATOM 388 N PRO A 52 -12.425 16.244 80.910 1.00 52.35 N
ATOM 389 CA PRO A 52 -12.500 17.672 81.218 1.00 54.44 C
ATOM 390 C PRO A 52 -13.846 18.027 81.828 1.00 44.93 C
ATOM 391 O PRO A 52 -14.888 17.487 81.446 1.00 49.42 O
ATOM 392 CB PRO A 52 -12.320 18.331 79.847 1.00 53.42 C
ATOM 393 CG PRO A 52 -12.946 17.343 78.894 1.00 53.91 C
ATOM 394 CD PRO A 52 -12.765 15.961 79.503 1.00 53.21 C
ATOM 395 N ASN A 53 -13.814 18.929 82.806 1.00 43.07 N
ATOM 396 CA ASN A 53 -15.035 19.566 83.295 1.00 42.02 C
ATOM 397 C ASN A 53 -15.156 20.874 82.533 1.00 47.01 C
ATOM 398 O ASN A 53 -14.409 21.830 82.775 1.00 44.89 O
ATOM 399 CB ASN A 53 -15.002 19.787 84.802 1.00 48.40 C
ATOM 400 CG ASN A 53 -16.289 20.421 85.339 1.00 51.69 C
ATOM 401 OD1 ASN A 53 -16.754 21.465 84.867 1.00 50.57 O
ATOM 402 ND2 ASN A 53 -16.891 19.752 86.304 1.00 59.30 N
ATOM 403 N TYR A 54 -16.098 20.908 81.596 1.00 41.39 N
ATOM 404 CA TYR A 54 -16.130 21.994 80.628 1.00 37.96 C
ATOM 405 C TYR A 54 -16.547 23.312 81.262 1.00 37.07 C
ATOM 406 O TYR A 54 -16.085 24.373 80.827 1.00 38.89 O
ATOM 407 CB TYR A 54 -17.062 21.636 79.473 1.00 36.46 C
ATOM 408 CG TYR A 54 -16.459 20.642 78.519 1.00 32.51 C
ATOM 409 CD1 TYR A 54 -15.594 21.050 77.515 1.00 35.31 C
ATOM 410 CD2 TYR A 54 -16.749 19.291 78.627 1.00 36.85 C
ATOM 411 CE1 TYR A 54 -15.047 20.142 76.638 1.00 40.23 C
ATOM 412 CE2 TYR A 54 -16.204 18.374 77.753 1.00 36.47 C
ATOM 413 CZ TYR A 54 -15.350 18.809 76.760 1.00 37.22 C
ATOM 414 OH TYR A 54 -14.787 17.923 75.874 1.00 38.92 O
ATOM 415 N GLU A 55 -17.406 23.276 82.283 1.00 39.00 N
ATOM 416 CA GLU A 55 -17.803 24.523 82.929 1.00 47.37 C
ATOM 417 C GLU A 55 -16.638 25.137 83.694 1.00 40.36 C
ATOM 418 O GLU A 55 -16.484 26.364 83.716 1.00 45.21 O
ATOM 419 CB GLU A 55 -18.999 24.297 83.855 1.00 49.25 C
ATOM 420 CG GLU A 55 -20.347 24.669 83.233 1.00 56.82 C
ATOM 421 CD GLU A 55 -20.339 26.017 82.514 1.00 61.30 C
ATOM 422 OE1 GLU A 55 -21.060 26.148 81.500 1.00 63.04 O
ATOM 423 OE2 GLU A 55 -19.638 26.951 82.967 1.00 65.53 O
ATOM 424 N ASP A 56 -15.808 24.301 84.320 1.00 40.45 N
ATOM 425 CA ASP A 56 -14.573 24.793 84.923 1.00 46.81 C
ATOM 426 C ASP A 56 -13.669 25.421 83.870 1.00 46.79 C
ATOM 427 O ASP A 56 -13.145 26.523 84.060 1.00 42.29 O
ATOM 428 CB ASP A 56 -13.847 23.650 85.635 1.00 47.64 C
ATOM 429 CG ASP A 56 -14.042 23.678 87.138 1.00 56.42 C
ATOM 430 OD1 ASP A 56 -14.694 24.616 87.641 1.00 60.63 O
ATOM 431 OD2 ASP A 56 -13.540 22.756 87.817 1.00 65.54 O
ATOM 432 N LEU A 57 -13.483 24.731 82.742 1.00 42.48 N
ATOM 433 CA LEU A 57 -12.582 25.234 81.712 1.00 38.27 C
ATOM 434 C LEU A 57 -13.111 26.510 81.074 1.00 39.40 C
ATOM 435 O LEU A 57 -12.320 27.375 80.679 1.00 41.68 O
ATOM 436 CB LEU A 57 -12.350 24.163 80.648 1.00 42.39 C
ATOM 437 CG LEU A 57 -11.565 22.933 81.111 1.00 50.56 C
ATOM 438 CD1 LEU A 57 -11.564 21.864 80.030 1.00 51.15 C
ATOM 439 CD2 LEU A 57 -10.141 23.304 81.500 1.00 50.03 C
ATOM 440 N LEU A 58 -14.435 26.658 80.981 1.00 38.63 N
ATOM 441 CA LEU A 58 -14.999 27.818 80.300 1.00 40.03 C
ATOM 442 C LEU A 58 -14.948 29.069 81.168 1.00 40.08 C
ATOM 443 O LEU A 58 -14.700 30.167 80.658 1.00 35.52 O
ATOM 444 CB LEU A 58 -16.438 27.541 79.874 1.00 37.00 C
ATOM 445 CG LEU A 58 -17.026 28.679 79.040 1.00 40.28 C
ATOM 446 CD1 LEU A 58 -16.154 28.945 77.822 1.00 38.91 C
ATOM 447 CD2 LEU A 58 -18.452 28.383 78.627 1.00 46.46 C
ATOM 448 N ILE A 59 -15.193 28.927 82.473 1.00 42.94 N
ATOM 449 CA ILE A 59 -15.144 30.079 83.366 1.00 41.20 C
ATOM 450 C ILE A 59 -13.736 30.650 83.464 1.00 35.44 C
ATOM 451 O ILE A 59 -13.565 31.804 83.874 1.00 46.70 O
ATOM 452 CB ILE A 59 -15.690 29.700 84.758 1.00 42.97 C
ATOM 453 CG1 ILE A 59 -16.265 30.929 85.466 1.00 50.53 C
ATOM 454 CG2 ILE A 59 -14.609 29.043 85.604 1.00 37.92 C
ATOM 455 CD1 ILE A 59 -17.524 31.469 84.822 1.00 52.21 C
ATOM 456 N ARG A 60 -12.720 29.877 83.087 1.00 37.58 N
ATOM 457 CA ARG A 60 -11.337 30.331 83.095 1.00 38.84 C
ATOM 458 C ARG A 60 -10.936 31.022 81.801 1.00 39.99 C
ATOM 459 O ARG A 60 -9.775 31.419 81.661 1.00 43.10 O
ATOM 460 CB ARG A 60 -10.399 29.153 83.358 1.00 35.90 C
ATOM 461 CG ARG A 60 -10.659 28.461 84.677 1.00 36.00 C
ATOM 462 CD ARG A 60 -9.750 27.267 84.856 1.00 35.76 C
ATOM 463 NE ARG A 60 -10.144 26.469 86.011 1.00 42.63 N
ATOM 464 CZ ARG A 60 -9.677 25.252 86.268 1.00 55.08 C
ATOM 465 NH1 ARG A 60 -8.797 24.693 85.449 1.00 55.87 N
ATOM 466 NH2 ARG A 60 -10.090 24.597 87.345 1.00 54.67 N
ATOM 467 N LYS A 61 -11.859 31.165 80.860 1.00 39.64 N
ATOM 468 CA LYS A 61 -11.625 31.865 79.610 1.00 40.44 C
ATOM 469 C LYS A 61 -12.477 33.125 79.561 1.00 39.66 C
ATOM 470 O LYS A 61 -13.473 33.259 80.277 1.00 41.84 O
ATOM 471 CB LYS A 61 -11.949 30.970 78.407 1.00 41.82 C
ATOM 472 CG LYS A 61 -11.334 29.584 78.478 1.00 38.52 C
ATOM 473 CD LYS A 61 -10.175 29.450 77.506 1.00 44.28 C
ATOM 474 CE LYS A 61 -9.267 28.294 77.886 1.00 48.26 C
ATOM 475 NZ LYS A 61 -8.067 28.228 77.009 1.00 60.43 N
ATOM 476 N SER A 62 -12.070 34.054 78.704 1.00 35.21 N
ATOM 477 CA SER A 62 -12.854 35.242 78.409 1.00 45.54 C
ATOM 478 C SER A 62 -12.926 35.414 76.896 1.00 47.25 C
ATOM 479 O SER A 62 -12.429 34.581 76.130 1.00 43.01 O
ATOM 480 CB SER A 62 -12.264 36.483 79.090 1.00 50.31 C
ATOM 481 OG SER A 62 -10.909 36.658 78.730 1.00 53.89 O
ATOM 482 N ASN A 63 -13.550 36.514 76.467 1.00 45.44 N
ATOM 483 CA ASN A 63 -13.815 36.711 75.045 1.00 47.14 C
ATOM 484 C ASN A 63 -12.531 36.831 74.234 1.00 49.12 C
ATOM 485 O ASN A 63 -12.488 36.398 73.076 1.00 43.87 O
ATOM 486 CB ASN A 63 -14.686 37.950 74.845 1.00 49.87 C
ATOM 487 CG ASN A 63 -16.105 37.748 75.333 1.00 48.35 C
ATOM 488 OD1 ASN A 63 -16.536 36.620 75.574 1.00 48.17 O
ATOM 489 ND2 ASN A 63 -16.840 38.841 75.485 1.00 52.86 N
ATOM 490 N HIS A 64 -11.478 37.404 74.818 1.00 43.08 N
ATOM 491 CA HIS A 64 -10.230 37.593 74.089 1.00 48.05 C
ATOM 492 C HIS A 64 -9.452 36.298 73.895 1.00 46.14 C
ATOM 493 O HIS A 64 -8.444 36.306 73.180 1.00 45.66 O
ATOM 494 CB HIS A 64 -9.352 38.611 74.813 1.00 55.04 C
ATOM 495 CG HIS A 64 -8.541 38.020 75.921 1.00 58.36 C
ATOM 496 ND1 HIS A 64 -9.082 37.692 77.145 1.00 67.32 N
ATOM 497 CD2 HIS A 64 -7.230 37.690 75.989 1.00 64.61 C
ATOM 498 CE1 HIS A 64 -8.140 37.183 77.918 1.00 69.22 C
ATOM 499 NE2 HIS A 64 -7.005 37.177 77.243 1.00 71.68 N
ATOM 500 N ASN A 65 -9.880 35.197 74.515 1.00 47.38 N
ATOM 501 CA ASN A 65 -9.221 33.911 74.323 1.00 42.85 C
ATOM 502 C ASN A 65 -9.668 33.198 73.052 1.00 42.73 C
ATOM 503 O ASN A 65 -9.101 32.152 72.717 1.00 46.08 O
ATOM 504 CB ASN A 65 -9.474 33.002 75.530 1.00 44.27 C
ATOM 505 CG ASN A 65 -8.884 33.552 76.816 1.00 48.35 C
ATOM 506 OD1 ASN A 65 -9.575 33.666 77.828 1.00 45.98 O
ATOM 507 ND2 ASN A 65 -7.602 33.893 76.783 1.00 49.03 N
ATOM 508 N PHE A 66 -10.659 33.734 72.337 1.00 37.98 N
ATOM 509 CA PHE A 66 -11.233 33.087 71.160 1.00 41.23 C
ATOM 510 C PHE A 66 -10.897 33.910 69.921 1.00 41.41 C
ATOM 511 O PHE A 66 -11.378 35.039 69.766 1.00 44.18 O
ATOM 512 CB PHE A 66 -12.743 32.925 71.305 1.00 38.74 C
ATOM 513 CG PHE A 66 -13.152 32.008 72.420 1.00 38.43 C
ATOM 514 CD1 PHE A 66 -13.181 30.636 72.236 1.00 38.19 C
ATOM 515 CD2 PHE A 66 -13.510 32.522 73.654 1.00 38.14 C
ATOM 516 CE1 PHE A 66 -13.563 29.792 73.264 1.00 37.23 C
ATOM 517 CE2 PHE A 66 -13.891 31.686 74.688 1.00 36.12 C
ATOM 518 CZ PHE A 66 -13.918 30.319 74.493 1.00 44.56 C
ATOM 519 N LEU A 67 -10.087 33.338 69.037 1.00 37.89 N
ATOM 520 CA LEU A 67 -9.745 33.962 67.766 1.00 39.48 C
ATOM 521 C LEU A 67 -10.597 33.336 66.671 1.00 46.90 C
ATOM 522 O LEU A 67 -10.461 32.141 66.382 1.00 48.60 O
ATOM 523 CB LEU A 67 -8.259 33.789 67.450 1.00 42.65 C
ATOM 524 CG LEU A 67 -7.856 34.252 66.052 1.00 51.98 C
ATOM 525 CD1 LEU A 67 -7.697 35.759 66.052 1.00 56.01 C
ATOM 526 CD2 LEU A 67 -6.563 33.574 65.588 1.00 54.99 C
ATOM 527 N VAL A 68 -11.464 34.138 66.060 1.00 42.86 N
ATOM 528 CA VAL A 68 -12.369 33.676 65.014 1.00 42.28 C
ATOM 529 C VAL A 68 -11.955 34.335 63.705 1.00 49.35 C
ATOM 530 O VAL A 68 -11.921 35.569 63.603 1.00 48.88 O
ATOM 531 CB VAL A 68 -13.836 33.984 65.352 1.00 43.79 C
ATOM 532 CG1 VAL A 68 -14.750 33.520 64.232 1.00 37.33 C
ATOM 533 CG2 VAL A 68 -14.223 33.319 66.669 1.00 37.88 C
ATOM 534 N GLN A 69 -11.641 33.516 62.704 1.00 43.54 N
ATOM 535 CA GLN A 69 -11.213 33.999 61.399 1.00 41.11 C
ATOM 536 C GLN A 69 -12.206 33.551 60.336 1.00 46.49 C
ATOM 537 O GLN A 69 -12.516 32.359 60.229 1.00 41.96 O
ATOM 538 CB GLN A 69 -9.809 33.495 61.054 1.00 42.27 C
ATOM 539 CG GLN A 69 -8.709 34.003 61.973 1.00 47.63 C
ATOM 540 CD GLN A 69 -7.334 33.510 61.557 1.00 55.34 C
ATOM 541 OE1 GLN A 69 -6.820 32.533 62.105 1.00 60.34 O
ATOM 542 NE2 GLN A 69 -6.731 34.186 60.586 1.00 60.46 N
ATOM 543 N ALA A 70 -12.696 34.508 59.557 1.00 48.87 N
ATOM 544 CA ALA A 70 -13.553 34.251 58.403 1.00 49.70 C
ATOM 545 C ALA A 70 -12.746 34.641 57.170 1.00 54.92 C
ATOM 546 O ALA A 70 -12.733 35.803 56.759 1.00 57.67 O
ATOM 547 CB ALA A 70 -14.860 35.030 58.497 1.00 43.84 C
ATOM 548 N GLY A 71 -12.070 33.660 56.582 1.00 51.38 N
ATOM 549 CA GLY A 71 -11.133 33.967 55.514 1.00 53.67 C
ATOM 550 C GLY A 71 -9.940 34.709 56.081 1.00 61.60 C
ATOM 551 O GLY A 71 -9.289 34.252 57.028 1.00 65.84 O
ATOM 552 N ASN A 72 -9.646 35.873 55.511 1.00 66.83 N
ATOM 553 CA ASN A 72 -8.600 36.741 56.032 1.00 68.90 C
ATOM 554 C ASN A 72 -9.133 37.769 57.022 1.00 69.42 C
ATOM 555 O ASN A 72 -8.341 38.515 57.607 1.00 72.46 O
ATOM 556 CB ASN A 72 -7.880 37.453 54.882 1.00 69.67 C
ATOM 557 CG ASN A 72 -6.605 36.744 54.467 1.00 72.13 C
ATOM 558 OD1 ASN A 72 -6.614 35.898 53.571 1.00 71.58 O
ATOM 559 ND2 ASN A 72 -5.498 37.083 55.121 1.00 69.46 N
ATOM 560 N VAL A 73 -10.446 37.819 57.225 1.00 64.14 N
ATOM 561 CA VAL A 73 -11.064 38.768 58.143 1.00 57.82 C
ATOM 562 C VAL A 73 -11.163 38.128 59.520 1.00 58.44 C
ATOM 563 O VAL A 73 -11.614 36.984 59.657 1.00 54.20 O
ATOM 564 CB VAL A 73 -12.451 39.199 57.637 1.00 56.49 C
ATOM 565 CG1 VAL A 73 -13.041 40.267 58.546 1.00 54.64 C
ATOM 566 CG2 VAL A 73 -12.362 39.698 56.204 1.00 54.99 C
ATOM 567 N GLN A 74 -10.737 38.862 60.541 1.00 55.87 N
ATOM 568 CA GLN A 74 -10.854 38.426 61.923 1.00 55.14 C
ATOM 569 C GLN A 74 -12.099 39.042 62.546 1.00 54.09 C
ATOM 570 O GLN A 74 -12.393 40.221 62.333 1.00 59.27 O
ATOM 571 CB GLN A 74 -9.611 38.820 62.725 1.00 52.44 C
ATOM 572 CG GLN A 74 -9.652 38.403 64.183 1.00 61.75 C
ATOM 573 CD GLN A 74 -8.472 38.935 64.976 1.00 67.91 C
ATOM 574 OE1 GLN A 74 -7.459 39.343 64.408 1.00 70.90 O
ATOM 575 NE2 GLN A 74 -8.604 38.942 66.299 1.00 61.25 N
ATOM 576 N LEU A 75 -12.836 38.234 63.303 1.00 50.82 N
ATOM 577 CA LEU A 75 -14.033 38.682 64.002 1.00 46.92 C
ATOM 578 C LEU A 75 -13.726 38.793 65.487 1.00 51.77 C
ATOM 579 O LEU A 75 -13.111 37.889 66.065 1.00 52.06 O
ATOM 580 CB LEU A 75 -15.201 37.716 63.784 1.00 46.99 C
ATOM 581 CG LEU A 75 -15.404 37.081 62.407 1.00 47.25 C
ATOM 582 CD1 LEU A 75 -16.711 36.299 62.381 1.00 44.54 C
ATOM 583 CD2 LEU A 75 -15.389 38.131 61.307 1.00 48.04 C
ATOM 584 N ARG A 76 -14.153 39.892 66.102 1.00 48.91 N
ATOM 585 CA ARG A 76 -13.957 40.071 67.535 1.00 48.20 C
ATOM 586 C ARG A 76 -15.084 39.380 68.290 1.00 39.66 C
ATOM 587 O ARG A 76 -16.264 39.632 68.025 1.00 42.06 O
ATOM 588 CB ARG A 76 -13.897 41.553 67.900 1.00 50.47 C
ATOM 589 CG ARG A 76 -13.578 41.804 69.376 1.00 52.62 C
ATOM 590 CD ARG A 76 -13.418 43.287 69.689 1.00 54.70 C
ATOM 591 NE ARG A 76 -14.583 44.069 69.282 1.00 65.05 N
ATOM 592 CZ ARG A 76 -14.614 44.870 68.220 1.00 69.98 C
ATOM 593 NH1 ARG A 76 -13.541 44.997 67.452 1.00 67.82 N
ATOM 594 NH2 ARG A 76 -15.719 45.543 67.926 1.00 67.79 N
ATOM 595 N VAL A 77 -14.720 38.504 69.220 1.00 40.26 N
ATOM 596 CA VAL A 77 -15.694 37.853 70.088 1.00 41.74 C
ATOM 597 C VAL A 77 -16.122 38.849 71.157 1.00 42.57 C
ATOM 598 O VAL A 77 -15.305 39.292 71.971 1.00 42.56 O
ATOM 599 CB VAL A 77 -15.114 36.579 70.717 1.00 42.88 C
ATOM 600 CG1 VAL A 77 -16.150 35.912 71.609 1.00 40.64 C
ATOM 601 CG2 VAL A 77 -14.638 35.624 69.634 1.00 43.73 C
ATOM 602 N ILE A 78 -17.405 39.212 71.151 1.00 45.16 N
ATOM 603 CA ILE A 78 -17.947 40.150 72.125 1.00 47.83 C
ATOM 604 C ILE A 78 -18.783 39.458 73.187 1.00 46.39 C
ATOM 605 O ILE A 78 -19.354 40.130 74.056 1.00 47.99 O
ATOM 606 CB ILE A 78 -18.769 41.251 71.428 1.00 45.05 C
ATOM 607 CG1 ILE A 78 -19.955 40.635 70.687 1.00 47.88 C
ATOM 608 CG2 ILE A 78 -17.889 42.038 70.472 1.00 49.90 C
ATOM 609 CD1 ILE A 78 -21.240 41.415 70.834 1.00 48.17 C
ATOM 610 N GLY A 79 -18.869 38.134 73.145 1.00 45.17 N
ATOM 611 CA GLY A 79 -19.596 37.372 74.137 1.00 40.62 C
ATOM 612 C GLY A 79 -19.477 35.889 73.863 1.00 42.31 C
ATOM 613 O GLY A 79 -19.287 35.481 72.715 1.00 40.56 O
ATOM 614 N HIS A 80 -19.569 35.071 74.905 1.00 37.59 N
ATOM 615 CA HIS A 80 -19.482 33.630 74.749 1.00 43.65 C
ATOM 616 C HIS A 80 -20.453 32.971 75.713 1.00 46.38 C
ATOM 617 O HIS A 80 -20.799 33.533 76.756 1.00 43.22 O
ATOM 618 CB HIS A 80 -18.054 33.112 74.983 1.00 41.76 C