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2CSN.pdb
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HEADER PROTEIN KINASE 11-OCT-95 2CSN
TITLE BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CASEIN KINASE-1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CATALYTIC CORE RESIDUES 2 - 298;
COMPND 5 EC: 2.7.1.-;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE;
SOURCE 3 ORGANISM_COMMON: FISSION YEAST;
SOURCE 4 ORGANISM_TAXID: 4896;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS CASEIN KINASE-1, PROTEIN KINASE
EXPDTA X-RAY DIFFRACTION
AUTHOR R.-M.XU,X.CHENG
REVDAT 2 24-FEB-09 2CSN 1 VERSN
REVDAT 1 08-MAR-96 2CSN 0
JRNL AUTH R.M.XU,G.CARMEL,J.KURET,X.CHENG
JRNL TITL STRUCTURAL BASIS FOR SELECTIVITY OF THE
JRNL TITL 2 ISOQUINOLINE SULFONAMIDE FAMILY OF PROTEIN KINASE
JRNL TITL 3 INHIBITORS.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 93 6308 1996
JRNL REFN ISSN 0027-8424
JRNL PMID 8692811
JRNL DOI 10.1073/PNAS.93.13.6308
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH R.-M.XU,G.CARMEL,R.M.SWEET,J.KURET,X.CHEN
REMARK 1 TITL CRYSTAL STRUCTURE OF CASEIN KINASE-1, A
REMARK 1 TITL 2 PHOSPHATE-DIRECTED PROTEIN KINASE
REMARK 1 REF EMBO J. V. 14 1015 1995
REMARK 1 REFN ISSN 0261-4189
REMARK 1 REFERENCE 2
REMARK 1 AUTH G.CARMEL,B.LEICHUS,X.CHENG,S.D.PATTERSON,U.MIRZA,
REMARK 1 AUTH 2 B.T.CHAIT,J.KURET
REMARK 1 TITL EXPRESSION, PURIFICATION, CRYSTALLIZATION, AND
REMARK 1 TITL 2 PRELIMINARY X-RAY ANALYSIS OF CASEIN KINASE-1 FROM
REMARK 1 TITL 3 SCHIZOSACCHAROMYCES POMBE
REMARK 1 REF J.BIOL.CHEM. V. 269 7304 1994
REMARK 1 REFN ISSN 0021-9258
REMARK 2
REMARK 2 RESOLUTION. 2.50 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) : 2.50
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.00
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) (%) : 87.4
REMARK 3 NUMBER OF REFLECTIONS : 16391
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING SET) : 0.178
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
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 : 2386
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 28
REMARK 3 SOLVENT ATOMS : 157
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) : 0.012
REMARK 3 BOND ANGLES (DEGREES) : 1.63
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.48
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.35
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 2CSN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : NSLS
REMARK 200 BEAMLINE : X12C
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE AREA DETECTOR
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL (DENZO)
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18581
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 (%) : 93.5
REMARK 200 DATA REDUNDANCY : 5.100
REMARK 200 R MERGE (I) : 0.06900
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) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
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: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 61.13
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.16
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z+2/3
REMARK 290 3555 -X+Y,-X,Z+1/3
REMARK 290 4555 Y,X,-Z
REMARK 290 5555 X-Y,-Y,-Z+1/3
REMARK 290 6555 -X,-X+Y,-Z+2/3
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 80.02667
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 40.01333
REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 40.01333
REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 80.02667
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 0.00000
REMARK 350 BIOMT2 2 -0.866025 0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 80.02667
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 SER A 2
REMARK 465 GLY A 3
REMARK 465 GLN A 4
REMARK 465 ASN A 5
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 VAL A 10 -62.66 69.72
REMARK 500 ARG A 130 -0.81 67.32
REMARK 500 ASN A 146 42.62 -102.28
REMARK 500 ASP A 154 93.11 65.72
REMARK 500 SER A 179 -89.03 -102.50
REMARK 500 LEU A 221 -79.36 -76.27
REMARK 500 ASN A 292 53.77 -96.92
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH A 402 DISTANCE = 5.54 ANGSTROMS
REMARK 525 HOH A 507 DISTANCE = 8.06 ANGSTROMS
REMARK 525 HOH A 519 DISTANCE = 6.79 ANGSTROMS
REMARK 525 HOH A 552 DISTANCE = 5.26 ANGSTROMS
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 301
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 302
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CKI A 300
DBREF 2CSN A 2 298 UNP P40233 CKI1_SCHPO 2 298
SEQADV 2CSN VAL A 82 UNP P40233 ILE 82 CONFLICT
SEQRES 1 A 297 SER GLY GLN ASN ASN VAL VAL GLY VAL HIS TYR LYS VAL
SEQRES 2 A 297 GLY ARG ARG ILE GLY GLU GLY SER PHE GLY VAL ILE PHE
SEQRES 3 A 297 GLU GLY THR ASN LEU LEU ASN ASN GLN GLN VAL ALA ILE
SEQRES 4 A 297 LYS PHE GLU PRO ARG ARG SER ASP ALA PRO GLN LEU ARG
SEQRES 5 A 297 ASP GLU TYR ARG THR TYR LYS LEU LEU ALA GLY CYS THR
SEQRES 6 A 297 GLY ILE PRO ASN VAL TYR TYR PHE GLY GLN GLU GLY LEU
SEQRES 7 A 297 HIS ASN VAL LEU VAL ILE ASP LEU LEU GLY PRO SER LEU
SEQRES 8 A 297 GLU ASP LEU LEU ASP LEU CYS GLY ARG LYS PHE SER VAL
SEQRES 9 A 297 LYS THR VAL ALA MET ALA ALA LYS GLN MET LEU ALA ARG
SEQRES 10 A 297 VAL GLN SER ILE HIS GLU LYS SER LEU VAL TYR ARG ASP
SEQRES 11 A 297 ILE LYS PRO ASP ASN PHE LEU ILE GLY ARG PRO ASN SER
SEQRES 12 A 297 LYS ASN ALA ASN MET ILE TYR VAL VAL ASP PHE GLY MET
SEQRES 13 A 297 VAL LYS PHE TYR ARG ASP PRO VAL THR LYS GLN HIS ILE
SEQRES 14 A 297 PRO TYR ARG GLU LYS LYS ASN LEU SER GLY THR ALA ARG
SEQRES 15 A 297 TYR MET SER ILE ASN THR HIS LEU GLY ARG GLU GLN SER
SEQRES 16 A 297 ARG ARG ASP ASP LEU GLU ALA LEU GLY HIS VAL PHE MET
SEQRES 17 A 297 TYR PHE LEU ARG GLY SER LEU PRO TRP GLN GLY LEU LYS
SEQRES 18 A 297 ALA ALA THR ASN LYS GLN LYS TYR GLU ARG ILE GLY GLU
SEQRES 19 A 297 LYS LYS GLN SER THR PRO LEU ARG GLU LEU CYS ALA GLY
SEQRES 20 A 297 PHE PRO GLU GLU PHE TYR LYS TYR MET HIS TYR ALA ARG
SEQRES 21 A 297 ASN LEU ALA PHE ASP ALA THR PRO ASP TYR ASP TYR LEU
SEQRES 22 A 297 GLN GLY LEU PHE SER LYS VAL LEU GLU ARG LEU ASN THR
SEQRES 23 A 297 THR GLU ASP GLU ASN PHE ASP TRP ASN LEU LEU
HET SO4 A 301 5
HET SO4 A 302 5
HET CKI A 300 18
HETNAM SO4 SULFATE ION
HETNAM CKI N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE
FORMUL 2 SO4 2(O4 S 2-)
FORMUL 4 CKI C11 H12 CL N3 O2 S
FORMUL 5 HOH *157(H2 O)
HELIX 1 1 LEU A 52 LEU A 62 1 11
HELIX 2 2 LEU A 92 LEU A 96 1 5
HELIX 3 3 VAL A 105 LYS A 125 1 21
HELIX 4 4 PRO A 134 ASN A 136 5 3
HELIX 5 5 ILE A 187 LEU A 191 1 5
HELIX 6 6 ARG A 197 ARG A 213 1 17
HELIX 7 7 ASN A 226 SER A 239 1 14
HELIX 8 8 LEU A 242 LEU A 245 1 4
HELIX 9 9 GLU A 251 ASN A 262 1 12
HELIX 10 10 TYR A 271 ARG A 284 1 14
HELIX 11 11 ASP A 294 ASN A 296 5 3
SHEET 1 A 5 TYR A 12 VAL A 14 0
SHEET 2 A 5 VAL A 25 ASN A 31 -1 N THR A 30 O LYS A 13
SHEET 3 A 5 GLN A 37 PRO A 44 -1 N PHE A 42 O VAL A 25
SHEET 4 A 5 HIS A 80 ASP A 86 -1 N ILE A 85 O ALA A 39
SHEET 5 A 5 VAL A 71 GLU A 77 -1 N GLU A 77 O HIS A 80
SHEET 1 B 2 PHE A 137 ILE A 139 0
SHEET 2 B 2 ILE A 150 VAL A 152 -1 N TYR A 151 O LEU A 138
SHEET 1 C 2 ARG A 17 GLY A 21 0
SHEET 2 C 2 GLY A 24 PHE A 27 -1 N ILE A 26 O ILE A 18
SITE 1 AC1 3 ARG A 130 LYS A 159 LYS A 176
SITE 1 AC2 3 ARG A 183 GLN A 219 GLY A 220
SITE 1 AC3 11 ILE A 18 ILE A 26 ALA A 39 TYR A 59
SITE 2 AC3 11 ASP A 86 LEU A 88 GLY A 89 ASP A 94
SITE 3 AC3 11 LEU A 138 VAL A 153 ASP A 154
CRYST1 79.100 79.100 120.040 90.00 90.00 120.00 P 32 2 1 6
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.012642 0.007299 0.000000 0.00000
SCALE2 0.000000 0.014598 0.000000 0.00000
SCALE3 0.000000 0.000000 0.008331 0.00000
ATOM 1 N ASN A 6 -44.370 50.928 54.318 1.00 32.95 N
ATOM 2 CA ASN A 6 -43.885 50.814 55.720 1.00 32.83 C
ATOM 3 C ASN A 6 -43.127 52.114 55.966 1.00 28.64 C
ATOM 4 O ASN A 6 -42.486 52.632 55.056 1.00 29.72 O
ATOM 5 CB ASN A 6 -42.956 49.595 55.855 1.00 39.82 C
ATOM 6 CG ASN A 6 -42.818 49.096 57.305 1.00 47.14 C
ATOM 7 OD1 ASN A 6 -43.541 49.539 58.211 1.00 49.65 O
ATOM 8 ND2 ASN A 6 -41.899 48.152 57.518 1.00 48.47 N
ATOM 9 N VAL A 7 -43.206 52.647 57.177 1.00 24.18 N
ATOM 10 CA VAL A 7 -42.561 53.914 57.495 1.00 18.10 C
ATOM 11 C VAL A 7 -41.691 53.810 58.736 1.00 20.72 C
ATOM 12 O VAL A 7 -42.156 53.362 59.789 1.00 25.95 O
ATOM 13 CB VAL A 7 -43.641 54.991 57.736 1.00 14.10 C
ATOM 14 CG1 VAL A 7 -43.022 56.339 58.017 1.00 13.53 C
ATOM 15 CG2 VAL A 7 -44.559 55.081 56.534 1.00 13.44 C
ATOM 16 N VAL A 8 -40.427 54.203 58.616 1.00 18.87 N
ATOM 17 CA VAL A 8 -39.519 54.168 59.752 1.00 14.30 C
ATOM 18 C VAL A 8 -39.002 55.555 60.096 1.00 14.14 C
ATOM 19 O VAL A 8 -39.107 56.489 59.302 1.00 17.05 O
ATOM 20 CB VAL A 8 -38.320 53.230 59.532 1.00 15.73 C
ATOM 21 CG1 VAL A 8 -38.792 51.821 59.187 1.00 15.05 C
ATOM 22 CG2 VAL A 8 -37.381 53.799 58.492 1.00 10.12 C
ATOM 23 N GLY A 9 -38.460 55.685 61.299 1.00 15.22 N
ATOM 24 CA GLY A 9 -37.935 56.960 61.746 1.00 14.89 C
ATOM 25 C GLY A 9 -38.958 58.068 61.647 1.00 15.38 C
ATOM 26 O GLY A 9 -38.610 59.215 61.365 1.00 16.69 O
ATOM 27 N VAL A 10 -40.219 57.729 61.883 1.00 11.27 N
ATOM 28 CA VAL A 10 -41.293 58.703 61.813 1.00 15.10 C
ATOM 29 C VAL A 10 -41.589 59.183 60.405 1.00 14.53 C
ATOM 30 O VAL A 10 -42.682 58.943 59.904 1.00 17.45 O
ATOM 31 CB VAL A 10 -41.036 59.937 62.720 1.00 18.73 C
ATOM 32 CG1 VAL A 10 -42.081 61.027 62.455 1.00 14.03 C
ATOM 33 CG2 VAL A 10 -41.051 59.513 64.187 1.00 19.47 C
ATOM 34 N HIS A 11 -40.631 59.832 59.750 1.00 11.83 N
ATOM 35 CA HIS A 11 -40.899 60.335 58.414 1.00 11.08 C
ATOM 36 C HIS A 11 -40.084 59.809 57.259 1.00 14.25 C
ATOM 37 O HIS A 11 -39.786 60.585 56.342 1.00 14.65 O
ATOM 38 CB HIS A 11 -40.836 61.850 58.381 1.00 10.10 C
ATOM 39 CG HIS A 11 -39.523 62.411 58.820 1.00 12.95 C
ATOM 40 ND1 HIS A 11 -39.235 62.687 60.142 1.00 17.23 N
ATOM 41 CD2 HIS A 11 -38.444 62.813 58.113 1.00 13.89 C
ATOM 42 CE1 HIS A 11 -38.041 63.242 60.228 1.00 18.36 C
ATOM 43 NE2 HIS A 11 -37.538 63.329 59.009 1.00 19.56 N
ATOM 44 N TYR A 12 -39.722 58.524 57.288 1.00 12.87 N
ATOM 45 CA TYR A 12 -38.948 57.907 56.198 1.00 12.25 C
ATOM 46 C TYR A 12 -39.665 56.672 55.658 1.00 13.45 C
ATOM 47 O TYR A 12 -39.919 55.737 56.418 1.00 14.98 O
ATOM 48 CB TYR A 12 -37.560 57.482 56.681 1.00 10.81 C
ATOM 49 CG TYR A 12 -36.673 58.625 57.090 1.00 11.23 C
ATOM 50 CD1 TYR A 12 -36.105 59.462 56.139 1.00 6.63 C
ATOM 51 CD2 TYR A 12 -36.432 58.899 58.445 1.00 12.17 C
ATOM 52 CE1 TYR A 12 -35.324 60.556 56.523 1.00 7.68 C
ATOM 53 CE2 TYR A 12 -35.655 59.989 58.835 1.00 8.04 C
ATOM 54 CZ TYR A 12 -35.111 60.814 57.870 1.00 8.81 C
ATOM 55 OH TYR A 12 -34.390 61.922 58.256 1.00 12.82 O
ATOM 56 N LYS A 13 -39.966 56.659 54.358 1.00 11.21 N
ATOM 57 CA LYS A 13 -40.660 55.533 53.718 1.00 12.70 C
ATOM 58 C LYS A 13 -39.656 54.575 53.120 1.00 12.25 C
ATOM 59 O LYS A 13 -38.731 54.992 52.423 1.00 14.64 O
ATOM 60 CB LYS A 13 -41.541 56.034 52.593 1.00 15.64 C
ATOM 61 CG LYS A 13 -42.570 55.065 52.093 1.00 18.75 C
ATOM 62 CD LYS A 13 -43.270 55.754 50.954 1.00 28.26 C
ATOM 63 CE LYS A 13 -44.591 55.128 50.623 1.00 35.68 C
ATOM 64 NZ LYS A 13 -45.256 55.976 49.595 1.00 40.10 N
ATOM 65 N VAL A 14 -39.863 53.291 53.359 1.00 10.75 N
ATOM 66 CA VAL A 14 -38.963 52.274 52.856 1.00 11.40 C
ATOM 67 C VAL A 14 -39.404 51.774 51.494 1.00 12.58 C
ATOM 68 O VAL A 14 -40.577 51.478 51.286 1.00 16.08 O
ATOM 69 CB VAL A 14 -38.912 51.072 53.794 1.00 10.77 C
ATOM 70 CG1 VAL A 14 -37.761 50.189 53.419 1.00 7.87 C
ATOM 71 CG2 VAL A 14 -38.782 51.533 55.228 1.00 9.31 C
ATOM 72 N GLY A 15 -38.459 51.706 50.566 1.00 12.87 N
ATOM 73 CA GLY A 15 -38.754 51.226 49.235 1.00 7.37 C
ATOM 74 C GLY A 15 -38.353 49.768 49.128 1.00 9.92 C
ATOM 75 O GLY A 15 -38.735 48.955 49.969 1.00 11.54 O
ATOM 76 N ARG A 16 -37.510 49.471 48.136 1.00 12.81 N
ATOM 77 CA ARG A 16 -37.000 48.126 47.822 1.00 6.81 C
ATOM 78 C ARG A 16 -35.525 47.953 48.218 1.00 8.89 C
ATOM 79 O ARG A 16 -34.768 48.943 48.358 1.00 6.70 O
ATOM 80 CB ARG A 16 -37.085 47.899 46.312 1.00 15.73 C
ATOM 81 CG ARG A 16 -36.169 48.843 45.522 1.00 17.43 C
ATOM 82 CD ARG A 16 -35.954 48.411 44.090 1.00 25.07 C
ATOM 83 NE ARG A 16 -37.172 48.542 43.289 1.00 32.40 N
ATOM 84 CZ ARG A 16 -37.322 49.378 42.265 1.00 27.67 C
ATOM 85 NH1 ARG A 16 -36.332 50.181 41.896 1.00 30.86 N
ATOM 86 NH2 ARG A 16 -38.476 49.411 41.621 1.00 22.60 N
ATOM 87 N ARG A 17 -35.095 46.700 48.322 1.00 5.18 N
ATOM 88 CA ARG A 17 -33.721 46.409 48.683 1.00 5.33 C
ATOM 89 C ARG A 17 -32.802 46.872 47.572 1.00 6.83 C
ATOM 90 O ARG A 17 -33.164 46.788 46.409 1.00 12.62 O
ATOM 91 CB ARG A 17 -33.527 44.903 48.853 1.00 5.50 C
ATOM 92 CG ARG A 17 -34.450 44.252 49.859 1.00 6.44 C
ATOM 93 CD ARG A 17 -34.046 42.807 50.098 1.00 7.87 C
ATOM 94 NE ARG A 17 -34.873 42.167 51.119 1.00 8.92 N
ATOM 95 CZ ARG A 17 -34.462 41.177 51.897 1.00 10.34 C
ATOM 96 NH1 ARG A 17 -33.228 40.701 51.783 1.00 9.28 N
ATOM 97 NH2 ARG A 17 -35.300 40.656 52.781 1.00 15.78 N
ATOM 98 N ILE A 18 -31.640 47.411 47.914 1.00 7.30 N
ATOM 99 CA ILE A 18 -30.677 47.830 46.907 1.00 3.94 C
ATOM 100 C ILE A 18 -29.324 47.248 47.280 1.00 7.41 C
ATOM 101 O ILE A 18 -28.374 47.321 46.506 1.00 13.25 O
ATOM 102 CB ILE A 18 -30.558 49.352 46.791 1.00 2.00 C
ATOM 103 CG1 ILE A 18 -30.207 49.967 48.145 1.00 2.00 C
ATOM 104 CG2 ILE A 18 -31.799 49.929 46.159 1.00 2.00 C
ATOM 105 CD1 ILE A 18 -29.926 51.451 48.079 1.00 2.65 C
ATOM 106 N GLY A 19 -29.275 46.610 48.445 1.00 10.21 N
ATOM 107 CA GLY A 19 -28.062 45.992 48.941 1.00 13.10 C
ATOM 108 C GLY A 19 -28.402 45.022 50.059 1.00 19.44 C
ATOM 109 O GLY A 19 -29.414 45.169 50.733 1.00 19.60 O
ATOM 110 N GLU A 20 -27.580 43.999 50.214 1.00 28.74 N
ATOM 111 CA GLU A 20 -27.765 43.003 51.253 1.00 38.96 C
ATOM 112 C GLU A 20 -26.387 42.459 51.549 1.00 43.80 C
ATOM 113 O GLU A 20 -25.673 42.048 50.640 1.00 45.21 O
ATOM 114 CB GLU A 20 -28.654 41.848 50.765 1.00 44.50 C
ATOM 115 CG GLU A 20 -28.716 40.632 51.701 1.00 51.85 C
ATOM 116 CD GLU A 20 -29.603 39.510 51.190 1.00 57.58 C
ATOM 117 OE1 GLU A 20 -29.165 38.756 50.295 1.00 60.56 O
ATOM 118 OE2 GLU A 20 -30.745 39.378 51.683 1.00 60.49 O
ATOM 119 N GLY A 21 -25.996 42.537 52.813 1.00 51.13 N
ATOM 120 CA GLY A 21 -24.699 42.020 53.230 1.00 57.35 C
ATOM 121 C GLY A 21 -24.893 41.246 54.519 1.00 61.40 C
ATOM 122 O GLY A 21 -26.036 40.996 54.947 1.00 62.73 O
ATOM 123 N SER A 22 -23.796 40.824 55.134 1.00 63.93 N
ATOM 124 CA SER A 22 -23.874 40.073 56.379 1.00 64.23 C
ATOM 125 C SER A 22 -24.411 41.003 57.471 1.00 63.48 C
ATOM 126 O SER A 22 -25.213 40.609 58.321 1.00 60.47 O
ATOM 127 CB SER A 22 -22.480 39.524 56.724 1.00 66.65 C
ATOM 128 OG SER A 22 -21.456 40.346 56.178 1.00 70.83 O
ATOM 129 N PHE A 23 -24.028 42.272 57.354 1.00 63.52 N
ATOM 130 CA PHE A 23 -24.409 43.321 58.289 1.00 64.43 C
ATOM 131 C PHE A 23 -25.849 43.820 58.175 1.00 60.00 C
ATOM 132 O PHE A 23 -26.217 44.820 58.803 1.00 59.88 O
ATOM 133 CB PHE A 23 -23.440 44.494 58.159 1.00 71.97 C
ATOM 134 CG PHE A 23 -22.002 44.066 58.003 1.00 82.25 C
ATOM 135 CD1 PHE A 23 -21.192 43.832 59.127 1.00 87.59 C
ATOM 136 CD2 PHE A 23 -21.458 43.866 56.728 1.00 85.08 C
ATOM 137 CE1 PHE A 23 -19.854 43.404 58.969 1.00 91.79 C
ATOM 138 CE2 PHE A 23 -20.131 43.440 56.564 1.00 88.12 C
ATOM 139 CZ PHE A 23 -19.333 43.211 57.678 1.00 90.60 C
ATOM 140 N GLY A 24 -26.640 43.144 57.344 1.00 53.53 N
ATOM 141 CA GLY A 24 -28.035 43.511 57.165 1.00 42.46 C
ATOM 142 C GLY A 24 -28.470 43.767 55.731 1.00 32.92 C
ATOM 143 O GLY A 24 -27.802 43.398 54.781 1.00 32.91 O
ATOM 144 N VAL A 25 -29.609 44.420 55.590 1.00 25.28 N
ATOM 145 CA VAL A 25 -30.168 44.752 54.297 1.00 20.80 C
ATOM 146 C VAL A 25 -30.154 46.269 54.160 1.00 18.44 C
ATOM 147 O VAL A 25 -30.100 46.977 55.157 1.00 19.94 O
ATOM 148 CB VAL A 25 -31.612 44.306 54.222 1.00 21.70 C
ATOM 149 CG1 VAL A 25 -32.057 44.245 52.777 1.00 23.43 C
ATOM 150 CG2 VAL A 25 -31.800 42.987 54.933 1.00 23.23 C
ATOM 151 N ILE A 26 -30.187 46.766 52.929 1.00 14.50 N
ATOM 152 CA ILE A 26 -30.184 48.204 52.676 1.00 8.91 C
ATOM 153 C ILE A 26 -31.295 48.434 51.686 1.00 7.25 C
ATOM 154 O ILE A 26 -31.367 47.729 50.675 1.00 6.84 O
ATOM 155 CB ILE A 26 -28.834 48.676 52.104 1.00 8.65 C
ATOM 156 CG1 ILE A 26 -27.728 48.321 53.089 1.00 12.97 C
ATOM 157 CG2 ILE A 26 -28.808 50.169 51.973 1.00 4.49 C
ATOM 158 CD1 ILE A 26 -26.360 48.589 52.603 1.00 18.68 C
ATOM 159 N PHE A 27 -32.206 49.339 52.045 1.00 3.29 N
ATOM 160 CA PHE A 27 -33.362 49.683 51.242 1.00 3.09 C
ATOM 161 C PHE A 27 -33.252 51.079 50.700 1.00 5.50 C
ATOM 162 O PHE A 27 -32.508 51.869 51.248 1.00 8.59 O
ATOM 163 CB PHE A 27 -34.624 49.632 52.097 1.00 2.00 C
ATOM 164 CG PHE A 27 -35.077 48.249 52.417 1.00 2.00 C
ATOM 165 CD1 PHE A 27 -34.401 47.484 53.340 1.00 5.07 C
ATOM 166 CD2 PHE A 27 -36.169 47.699 51.770 1.00 2.00 C
ATOM 167 CE1 PHE A 27 -34.809 46.170 53.618 1.00 7.63 C
ATOM 168 CE2 PHE A 27 -36.577 46.400 52.041 1.00 5.47 C
ATOM 169 CZ PHE A 27 -35.897 45.634 52.966 1.00 2.00 C
ATOM 170 N GLU A 28 -33.921 51.361 49.580 1.00 6.92 N
ATOM 171 CA GLU A 28 -33.936 52.721 49.039 1.00 6.95 C
ATOM 172 C GLU A 28 -35.204 53.290 49.665 1.00 7.00 C
ATOM 173 O GLU A 28 -36.134 52.553 49.984 1.00 6.09 O
ATOM 174 CB GLU A 28 -33.984 52.772 47.479 1.00 8.87 C
ATOM 175 CG GLU A 28 -35.069 51.932 46.740 1.00 15.08 C
ATOM 176 CD GLU A 28 -36.445 52.605 46.597 1.00 17.06 C
ATOM 177 OE1 GLU A 28 -36.518 53.845 46.665 1.00 21.20 O
ATOM 178 OE2 GLU A 28 -37.464 51.893 46.390 1.00 15.98 O
ATOM 179 N GLY A 29 -35.235 54.582 49.907 1.00 8.33 N
ATOM 180 CA GLY A 29 -36.415 55.145 50.521 1.00 10.61 C
ATOM 181 C GLY A 29 -36.507 56.615 50.204 1.00 12.13 C
ATOM 182 O GLY A 29 -35.637 57.163 49.518 1.00 7.91 O
ATOM 183 N THR A 30 -37.518 57.262 50.767 1.00 14.16 N
ATOM 184 CA THR A 30 -37.758 58.672 50.540 1.00 15.66 C
ATOM 185 C THR A 30 -38.129 59.318 51.880 1.00 15.83 C
ATOM 186 O THR A 30 -38.710 58.666 52.747 1.00 14.90 O
ATOM 187 CB THR A 30 -38.891 58.831 49.477 1.00 18.65 C
ATOM 188 OG1 THR A 30 -39.256 60.206 49.321 1.00 29.56 O
ATOM 189 CG2 THR A 30 -40.106 58.044 49.875 1.00 21.31 C
ATOM 190 N ASN A 31 -37.639 60.535 52.108 1.00 17.25 N
ATOM 191 CA ASN A 31 -37.946 61.297 53.319 1.00 14.50 C
ATOM 192 C ASN A 31 -39.267 61.968 52.976 1.00 16.52 C
ATOM 193 O ASN A 31 -39.339 62.746 52.018 1.00 15.83 O
ATOM 194 CB ASN A 31 -36.886 62.366 53.559 1.00 12.09 C
ATOM 195 CG ASN A 31 -37.239 63.295 54.695 1.00 15.50 C
ATOM 196 OD1 ASN A 31 -38.402 63.420 55.077 1.00 18.88 O
ATOM 197 ND2 ASN A 31 -36.234 63.959 55.246 1.00 17.01 N
ATOM 198 N LEU A 32 -40.301 61.687 53.758 1.00 16.90 N
ATOM 199 CA LEU A 32 -41.612 62.240 53.482 1.00 16.53 C
ATOM 200 C LEU A 32 -41.740 63.745 53.661 1.00 18.23 C
ATOM 201 O LEU A 32 -42.644 64.335 53.086 1.00 25.30 O
ATOM 202 CB LEU A 32 -42.692 61.503 54.273 1.00 12.68 C
ATOM 203 CG LEU A 32 -42.951 60.028 53.939 1.00 11.39 C
ATOM 204 CD1 LEU A 32 -44.055 59.494 54.834 1.00 13.61 C
ATOM 205 CD2 LEU A 32 -43.342 59.855 52.480 1.00 10.27 C
ATOM 206 N LEU A 33 -40.843 64.372 54.420 1.00 18.01 N
ATOM 207 CA LEU A 33 -40.912 65.829 54.625 1.00 21.59 C
ATOM 208 C LEU A 33 -40.509 66.643 53.379 1.00 26.42 C
ATOM 209 O LEU A 33 -41.274 67.490 52.909 1.00 32.30 O
ATOM 210 CB LEU A 33 -40.056 66.287 55.824 1.00 15.55 C
ATOM 211 CG LEU A 33 -40.355 65.737 57.228 1.00 16.09 C
ATOM 212 CD1 LEU A 33 -39.429 66.349 58.261 1.00 13.38 C
ATOM 213 CD2 LEU A 33 -41.785 65.993 57.591 1.00 11.32 C
ATOM 214 N ASN A 34 -39.325 66.369 52.832 1.00 28.12 N
ATOM 215 CA ASN A 34 -38.815 67.099 51.672 1.00 28.88 C
ATOM 216 C ASN A 34 -38.717 66.289 50.381 1.00 30.46 C
ATOM 217 O ASN A 34 -38.345 66.832 49.340 1.00 32.59 O
ATOM 218 CB ASN A 34 -37.438 67.683 51.994 1.00 31.29 C
ATOM 219 CG ASN A 34 -36.437 66.614 52.383 1.00 36.56 C
ATOM 220 OD1 ASN A 34 -36.765 65.427 52.393 1.00 42.13 O
ATOM 221 ND2 ASN A 34 -35.219 67.024 52.726 1.00 40.89 N
ATOM 222 N ASN A 35 -38.973 64.987 50.467 1.00 29.55 N
ATOM 223 CA ASN A 35 -38.920 64.102 49.312 1.00 28.07 C
ATOM 224 C ASN A 35 -37.511 63.788 48.780 1.00 25.46 C
ATOM 225 O ASN A 35 -37.336 63.398 47.623 1.00 24.77 O
ATOM 226 CB ASN A 35 -39.794 64.657 48.200 1.00 35.02 C
ATOM 227 CG ASN A 35 -40.666 63.606 47.586 1.00 46.57 C
ATOM 228 OD1 ASN A 35 -41.843 63.846 47.337 1.00 55.76 O
ATOM 229 ND2 ASN A 35 -40.111 62.413 47.362 1.00 53.43 N
ATOM 230 N GLN A 36 -36.513 63.941 49.642 1.00 22.99 N
ATOM 231 CA GLN A 36 -35.118 63.662 49.313 1.00 19.29 C
ATOM 232 C GLN A 36 -34.988 62.139 49.303 1.00 17.40 C
ATOM 233 O GLN A 36 -35.708 61.454 50.022 1.00 16.17 O
ATOM 234 CB GLN A 36 -34.237 64.282 50.404 1.00 23.42 C
ATOM 235 CG GLN A 36 -32.727 64.132 50.282 1.00 32.78 C
ATOM 236 CD GLN A 36 -31.970 64.775 51.469 1.00 39.45 C
ATOM 237 OE1 GLN A 36 -32.575 65.217 52.455 1.00 45.06 O
ATOM 238 NE2 GLN A 36 -30.649 64.839 51.362 1.00 41.63 N
ATOM 239 N GLN A 37 -34.111 61.600 48.462 1.00 19.95 N
ATOM 240 CA GLN A 37 -33.924 60.155 48.377 1.00 15.58 C
ATOM 241 C GLN A 37 -32.835 59.753 49.358 1.00 16.04 C
ATOM 242 O GLN A 37 -31.786 60.404 49.424 1.00 20.39 O
ATOM 243 CB GLN A 37 -33.525 59.732 46.952 1.00 17.18 C
ATOM 244 CG GLN A 37 -34.634 59.810 45.890 1.00 21.50 C
ATOM 245 CD GLN A 37 -34.145 59.408 44.487 1.00 30.57 C
ATOM 246 OE1 GLN A 37 -33.324 60.100 43.868 1.00 33.97 O
ATOM 247 NE2 GLN A 37 -34.643 58.280 43.989 1.00 32.11 N
ATOM 248 N VAL A 38 -33.061 58.664 50.092 1.00 11.13 N
ATOM 249 CA VAL A 38 -32.097 58.185 51.071 1.00 6.90 C
ATOM 250 C VAL A 38 -31.949 56.678 51.027 1.00 6.80 C
ATOM 251 O VAL A 38 -32.721 56.016 50.370 1.00 15.52 O
ATOM 252 CB VAL A 38 -32.516 58.574 52.505 1.00 9.33 C
ATOM 253 CG1 VAL A 38 -32.560 60.080 52.640 1.00 7.48 C
ATOM 254 CG2 VAL A 38 -33.863 57.956 52.866 1.00 4.01 C
ATOM 255 N ALA A 39 -30.929 56.153 51.694 1.00 6.39 N
ATOM 256 CA ALA A 39 -30.679 54.723 51.786 1.00 4.32 C
ATOM 257 C ALA A 39 -30.907 54.432 53.252 1.00 5.39 C
ATOM 258 O ALA A 39 -30.402 55.148 54.099 1.00 9.10 O
ATOM 259 CB ALA A 39 -29.241 54.394 51.425 1.00 5.14 C
ATOM 260 N ILE A 40 -31.634 53.368 53.552 1.00 5.76 N
ATOM 261 CA ILE A 40 -31.943 53.009 54.925 1.00 3.84 C
ATOM 262 C ILE A 40 -31.313 51.681 55.236 1.00 3.46 C
ATOM 263 O ILE A 40 -31.721 50.665 54.699 1.00 5.29 O
ATOM 264 CB ILE A 40 -33.461 52.879 55.118 1.00 6.42 C
ATOM 265 CG1 ILE A 40 -34.167 54.152 54.615 1.00 8.93 C
ATOM 266 CG2 ILE A 40 -33.759 52.631 56.573 1.00 6.93 C
ATOM 267 CD1 ILE A 40 -35.654 54.048 54.459 1.00 2.00 C
ATOM 268 N LYS A 41 -30.312 51.698 56.099 1.00 3.82 N
ATOM 269 CA LYS A 41 -29.607 50.497 56.491 1.00 5.04 C
ATOM 270 C LYS A 41 -30.311 49.874 57.694 1.00 10.55 C
ATOM 271 O LYS A 41 -30.681 50.566 58.628 1.00 12.58 O
ATOM 272 CB LYS A 41 -28.169 50.878 56.827 1.00 5.64 C
ATOM 273 CG LYS A 41 -27.206 49.752 56.732 1.00 10.89 C
ATOM 274 CD LYS A 41 -25.774 50.230 56.809 1.00 11.67 C
ATOM 275 CE LYS A 41 -24.874 49.016 57.028 1.00 18.22 C
ATOM 276 NZ LYS A 41 -23.437 49.346 57.100 1.00 21.58 N
ATOM 277 N PHE A 42 -30.565 48.579 57.628 1.00 14.39 N
ATOM 278 CA PHE A 42 -31.222 47.851 58.697 1.00 14.67 C
ATOM 279 C PHE A 42 -30.295 46.785 59.236 1.00 19.62 C
ATOM 280 O PHE A 42 -29.925 45.866 58.515 1.00 21.26 O
ATOM 281 CB PHE A 42 -32.445 47.120 58.180 1.00 11.53 C
ATOM 282 CG PHE A 42 -33.641 47.974 58.027 1.00 12.85 C
ATOM 283 CD1 PHE A 42 -33.804 48.773 56.909 1.00 12.90 C
ATOM 284 CD2 PHE A 42 -34.660 47.918 58.962 1.00 10.72 C
ATOM 285 CE1 PHE A 42 -34.982 49.499 56.727 1.00 12.32 C
ATOM 286 CE2 PHE A 42 -35.836 48.638 58.789 1.00 10.40 C
ATOM 287 CZ PHE A 42 -36.002 49.426 57.672 1.00 7.40 C
ATOM 288 N GLU A 43 -29.992 46.854 60.521 1.00 23.50 N
ATOM 289 CA GLU A 43 -29.134 45.865 61.146 1.00 27.48 C
ATOM 290 C GLU A 43 -29.933 45.109 62.194 1.00 28.55 C
ATOM 291 O GLU A 43 -30.651 45.718 62.989 1.00 29.86 O
ATOM 292 CB GLU A 43 -27.945 46.548 61.816 1.00 30.99 C
ATOM 293 CG GLU A 43 -27.022 45.571 62.518 1.00 42.12 C
ATOM 294 CD GLU A 43 -25.822 46.238 63.162 1.00 46.55 C
ATOM 295 OE1 GLU A 43 -25.996 46.832 64.254 1.00 44.60 O
ATOM 296 OE2 GLU A 43 -24.712 46.157 62.574 1.00 50.17 O
ATOM 297 N PRO A 44 -29.903 43.772 62.158 1.00 28.68 N
ATOM 298 CA PRO A 44 -30.657 43.018 63.165 1.00 31.49 C
ATOM 299 C PRO A 44 -29.947 43.123 64.521 1.00 34.47 C
ATOM 300 O PRO A 44 -28.720 43.056 64.581 1.00 35.91 O
ATOM 301 CB PRO A 44 -30.634 41.591 62.606 1.00 30.17 C
ATOM 302 CG PRO A 44 -29.347 41.535 61.875 1.00 27.53 C
ATOM 303 CD PRO A 44 -29.296 42.871 61.168 1.00 28.43 C
ATOM 304 N ARG A 45 -30.693 43.352 65.596 1.00 37.77 N
ATOM 305 CA ARG A 45 -30.071 43.460 66.915 1.00 43.81 C
ATOM 306 C ARG A 45 -29.660 42.079 67.443 1.00 47.10 C
ATOM 307 O ARG A 45 -30.500 41.285 67.867 1.00 49.18 O
ATOM 308 CB ARG A 45 -31.007 44.155 67.905 1.00 43.94 C
ATOM 309 CG ARG A 45 -31.374 45.571 67.518 1.00 45.15 C
ATOM 310 CD ARG A 45 -31.344 46.491 68.726 1.00 50.29 C
ATOM 311 NE ARG A 45 -32.217 46.011 69.795 1.00 57.22 N
ATOM 312 CZ ARG A 45 -33.546 46.009 69.741 1.00 59.42 C
ATOM 313 NH1 ARG A 45 -34.172 46.462 68.668 1.00 60.82 N
ATOM 314 NH2 ARG A 45 -34.251 45.551 70.765 1.00 61.92 N
ATOM 315 N ARG A 46 -28.364 41.792 67.410 1.00 49.87 N
ATOM 316 CA ARG A 46 -27.875 40.502 67.868 1.00 53.58 C
ATOM 317 C ARG A 46 -26.507 40.624 68.536 1.00 58.55 C
ATOM 318 O ARG A 46 -25.714 41.500 68.193 1.00 59.39 O
ATOM 319 CB ARG A 46 -27.848 39.503 66.698 1.00 49.95 C
ATOM 320 CG ARG A 46 -26.673 39.629 65.745 1.00 45.88 C
ATOM 321 CD ARG A 46 -26.981 39.020 64.373 1.00 43.21 C
ATOM 322 NE ARG A 46 -27.543 37.667 64.442 1.00 39.16 N
ATOM 323 CZ ARG A 46 -26.832 36.545 64.519 1.00 36.05 C
ATOM 324 NH1 ARG A 46 -25.505 36.571 64.546 1.00 34.36 N
ATOM 325 NH2 ARG A 46 -27.460 35.384 64.529 1.00 37.01 N
ATOM 326 N SER A 47 -26.256 39.738 69.496 1.00 64.29 N
ATOM 327 CA SER A 47 -25.016 39.690 70.279 1.00 69.19 C
ATOM 328 C SER A 47 -23.705 40.030 69.564 1.00 70.64 C
ATOM 329 O SER A 47 -22.991 40.955 69.961 1.00 70.70 O
ATOM 330 CB SER A 47 -24.869 38.305 70.919 1.00 68.85 C
ATOM 331 OG SER A 47 -26.063 37.913 71.570 1.00 73.07 O
ATOM 332 N ASP A 48 -23.382 39.242 68.542 1.00 72.82 N
ATOM 333 CA ASP A 48 -22.146 39.402 67.780 1.00 75.37 C
ATOM 334 C ASP A 48 -22.069 40.542 66.747 1.00 76.79 C
ATOM 335 O ASP A 48 -20.969 40.929 66.338 1.00 77.69 O
ATOM 336 CB ASP A 48 -21.739 38.053 67.140 1.00 75.90 C
ATOM 337 CG ASP A 48 -22.841 37.436 66.255 1.00 76.49 C
ATOM 338 OD1 ASP A 48 -24.041 37.556 66.583 1.00 75.94 O
ATOM 339 OD2 ASP A 48 -22.501 36.801 65.231 1.00 76.35 O
ATOM 340 N ALA A 49 -23.216 41.098 66.351 1.00 77.65 N
ATOM 341 CA ALA A 49 -23.252 42.175 65.351 1.00 77.33 C
ATOM 342 C ALA A 49 -22.716 43.541 65.810 1.00 76.93 C
ATOM 343 O ALA A 49 -23.196 44.124 66.791 1.00 76.23 O
ATOM 344 CB ALA A 49 -24.662 42.322 64.772 1.00 77.24 C
ATOM 345 N PRO A 50 -21.762 44.103 65.043 1.00 76.76 N
ATOM 346 CA PRO A 50 -21.149 45.398 65.348 1.00 75.34 C
ATOM 347 C PRO A 50 -22.185 46.501 65.449 1.00 73.60 C
ATOM 348 O PRO A 50 -22.951 46.717 64.514 1.00 74.46 O
ATOM 349 CB PRO A 50 -20.223 45.628 64.147 1.00 77.11 C
ATOM 350 CG PRO A 50 -20.921 44.903 63.029 1.00 77.33 C
ATOM 351 CD PRO A 50 -21.315 43.618 63.721 1.00 77.55 C
ATOM 352 N GLN A 51 -22.202 47.193 66.582 1.00 72.01 N
ATOM 353 CA GLN A 51 -23.141 48.288 66.793 1.00 70.08 C
ATOM 354 C GLN A 51 -23.229 49.207 65.569 1.00 65.86 C
ATOM 355 O GLN A 51 -22.210 49.582 64.980 1.00 67.50 O
ATOM 356 CB GLN A 51 -22.718 49.130 68.001 1.00 74.82 C
ATOM 357 CG GLN A 51 -23.089 48.570 69.364 1.00 81.07 C
ATOM 358 CD GLN A 51 -22.896 49.604 70.466 1.00 84.03 C
ATOM 359 OE1 GLN A 51 -23.294 50.760 70.323 1.00 83.99 O
ATOM 360 NE2 GLN A 51 -22.269 49.195 71.562 1.00 88.51 N
ATOM 361 N LEU A 52 -24.448 49.572 65.190 1.00 57.97 N
ATOM 362 CA LEU A 52 -24.639 50.462 64.057 1.00 48.31 C
ATOM 363 C LEU A 52 -24.490 51.896 64.555 1.00 45.59 C
ATOM 364 O LEU A 52 -24.298 52.819 63.761 1.00 46.46 O
ATOM 365 CB LEU A 52 -26.025 50.252 63.445 1.00 44.90 C
ATOM 366 CG LEU A 52 -26.230 50.782 62.035 1.00 33.78 C
ATOM 367 CD1 LEU A 52 -25.128 50.236 61.174 1.00 36.18 C
ATOM 368 CD2 LEU A 52 -27.579 50.359 61.500 1.00 31.63 C
ATOM 369 N ARG A 53 -24.568 52.074 65.875 1.00 42.25 N
ATOM 370 CA ARG A 53 -24.426 53.397 66.495 1.00 41.01 C
ATOM 371 C ARG A 53 -23.003 53.931 66.315 1.00 37.60 C
ATOM 372 O ARG A 53 -22.815 55.133 66.158 1.00 37.14 O
ATOM 373 CB ARG A 53 -24.798 53.361 67.997 1.00 41.95 C
ATOM 374 CG ARG A 53 -24.962 54.745 68.652 1.00 42.78 C
ATOM 375 CD ARG A 53 -25.398 54.658 70.123 1.00 51.26 C
ATOM 376 NE ARG A 53 -26.850 54.745 70.328 1.00 55.97 N
ATOM 377 CZ ARG A 53 -27.602 53.797 70.894 1.00 57.79 C
ATOM 378 NH1 ARG A 53 -27.054 52.664 71.317 1.00 61.03 N
ATOM 379 NH2 ARG A 53 -28.911 53.986 71.044 1.00 56.89 N
ATOM 380 N ASP A 54 -22.010 53.040 66.299 1.00 35.16 N
ATOM 381 CA ASP A 54 -20.609 53.456 66.130 1.00 35.98 C
ATOM 382 C ASP A 54 -20.425 54.053 64.717 1.00 32.02 C
ATOM 383 O ASP A 54 -19.721 55.057 64.517 1.00 31.59 O
ATOM 384 CB ASP A 54 -19.641 52.267 66.343 1.00 43.20 C
ATOM 385 CG ASP A 54 -19.598 51.770 67.795 1.00 47.25 C
ATOM 386 OD1 ASP A 54 -19.730 52.599 68.720 1.00 48.88 O
ATOM 387 OD2 ASP A 54 -19.431 50.544 68.013 1.00 51.64 O
ATOM 388 N GLU A 55 -21.107 53.451 63.752 1.00 24.17 N
ATOM 389 CA GLU A 55 -21.039 53.927 62.397 1.00 20.01 C
ATOM 390 C GLU A 55 -21.649 55.329 62.317 1.00 16.39 C
ATOM 391 O GLU A 55 -21.078 56.220 61.683 1.00 15.87 O
ATOM 392 CB GLU A 55 -21.734 52.957 61.455 1.00 20.66 C
ATOM 393 CG GLU A 55 -21.426 53.210 60.036 1.00 24.55 C
ATOM 394 CD GLU A 55 -21.711 52.009 59.184 1.00 23.84 C
ATOM 395 OE1 GLU A 55 -21.800 50.865 59.714 1.00 24.36 O
ATOM 396 OE2 GLU A 55 -21.802 52.191 57.966 1.00 26.39 O
ATOM 397 N TYR A 56 -22.809 55.523 62.948 1.00 14.70 N
ATOM 398 CA TYR A 56 -23.499 56.817 62.959 1.00 14.75 C
ATOM 399 C TYR A 56 -22.610 57.855 63.592 1.00 16.22 C
ATOM 400 O TYR A 56 -22.535 58.985 63.118 1.00 18.64 O
ATOM 401 CB TYR A 56 -24.837 56.701 63.702 1.00 19.13 C
ATOM 402 CG TYR A 56 -25.566 58.013 64.007 1.00 25.31 C
ATOM 403 CD1 TYR A 56 -25.898 58.901 62.999 1.00 28.07 C
ATOM 404 CD2 TYR A 56 -25.947 58.348 65.320 1.00 29.48 C
ATOM 405 CE1 TYR A 56 -26.587 60.090 63.276 1.00 30.73 C
ATOM 406 CE2 TYR A 56 -26.635 59.533 65.600 1.00 29.93 C
ATOM 407 CZ TYR A 56 -26.948 60.397 64.568 1.00 33.43 C
ATOM 408 OH TYR A 56 -27.621 61.577 64.813 1.00 41.86 O
ATOM 409 N ARG A 57 -21.933 57.484 64.671 1.00 18.51 N
ATOM 410 CA ARG A 57 -21.025 58.422 65.325 1.00 23.09 C
ATOM 411 C ARG A 57 -19.910 58.818 64.352 1.00 21.43 C
ATOM 412 O ARG A 57 -19.640 60.009 64.183 1.00 24.39 O
ATOM 413 CB ARG A 57 -20.434 57.838 66.619 1.00 34.41 C
ATOM 414 CG ARG A 57 -21.444 57.616 67.757 1.00 44.39 C
ATOM 415 CD ARG A 57 -20.763 57.069 69.013 1.00 53.97 C
ATOM 416 NE ARG A 57 -21.680 56.363 69.924 1.00 59.13 N
ATOM 417 CZ ARG A 57 -21.367 55.243 70.577 1.00 60.66 C
ATOM 418 NH1 ARG A 57 -20.167 54.695 70.421 1.00 60.78 N
ATOM 419 NH2 ARG A 57 -22.246 54.676 71.395 1.00 62.01 N
ATOM 420 N THR A 58 -19.293 57.828 63.694 1.00 16.21 N
ATOM 421 CA THR A 58 -18.232 58.082 62.713 1.00 11.17 C
ATOM 422 C THR A 58 -18.718 58.968 61.556 1.00 11.14 C
ATOM 423 O THR A 58 -17.982 59.846 61.100 1.00 9.99 O
ATOM 424 CB THR A 58 -17.692 56.776 62.117 1.00 14.19 C
ATOM 425 OG1 THR A 58 -17.277 55.906 63.172 1.00 16.09 O
ATOM 426 CG2 THR A 58 -16.499 57.055 61.216 1.00 11.74 C
ATOM 427 N TYR A 59 -19.921 58.706 61.040 1.00 10.41 N
ATOM 428 CA TYR A 59 -20.477 59.536 59.967 1.00 14.47 C
ATOM 429 C TYR A 59 -20.602 60.981 60.483 1.00 17.83 C
ATOM 430 O TYR A 59 -20.249 61.929 59.779 1.00 20.24 O
ATOM 431 CB TYR A 59 -21.870 59.047 59.512 1.00 15.35 C
ATOM 432 CG TYR A 59 -21.877 57.975 58.427 1.00 15.49 C
ATOM 433 CD1 TYR A 59 -21.444 58.262 57.128 1.00 18.81 C
ATOM 434 CD2 TYR A 59 -22.285 56.669 58.708 1.00 14.41 C
ATOM 435 CE1 TYR A 59 -21.410 57.268 56.143 1.00 14.80 C
ATOM 436 CE2 TYR A 59 -22.254 55.678 57.741 1.00 15.07 C
ATOM 437 CZ TYR A 59 -21.815 55.975 56.459 1.00 18.46 C
ATOM 438 OH TYR A 59 -21.776 54.977 55.494 1.00 17.36 O
ATOM 439 N LYS A 60 -21.085 61.153 61.717 1.00 19.65 N
ATOM 440 CA LYS A 60 -21.225 62.494 62.289 1.00 20.12 C
ATOM 441 C LYS A 60 -19.859 63.169 62.458 1.00 18.30 C
ATOM 442 O LYS A 60 -19.712 64.364 62.249 1.00 18.39 O
ATOM 443 CB LYS A 60 -21.978 62.451 63.628 1.00 21.68 C
ATOM 444 CG LYS A 60 -23.484 62.169 63.524 1.00 27.67 C
ATOM 445 CD LYS A 60 -24.269 62.649 64.766 1.00 35.54 C
ATOM 446 CE LYS A 60 -23.737 62.030 66.075 1.00 40.24 C
ATOM 447 NZ LYS A 60 -24.368 62.559 67.330 1.00 42.97 N
ATOM 448 N LEU A 61 -18.856 62.377 62.800 1.00 16.10 N
ATOM 449 CA LEU A 61 -17.500 62.864 62.991 1.00 15.11 C
ATOM 450 C LEU A 61 -16.939 63.393 61.661 1.00 13.13 C
ATOM 451 O LEU A 61 -16.294 64.439 61.611 1.00 16.15 O
ATOM 452 CB LEU A 61 -16.651 61.705 63.522 1.00 16.24 C
ATOM 453 CG LEU A 61 -15.306 61.911 64.213 1.00 20.93 C
ATOM 454 CD1 LEU A 61 -14.667 60.555 64.501 1.00 17.22 C
ATOM 455 CD2 LEU A 61 -14.392 62.726 63.321 1.00 27.00 C
ATOM 456 N LEU A 62 -17.199 62.660 60.585 1.00 15.50 N
ATOM 457 CA LEU A 62 -16.725 63.019 59.242 1.00 14.47 C
ATOM 458 C LEU A 62 -17.651 63.939 58.457 1.00 15.51 C
ATOM 459 O LEU A 62 -17.360 64.277 57.310 1.00 18.76 O
ATOM 460 CB LEU A 62 -16.504 61.763 58.425 1.00 9.87 C
ATOM 461 CG LEU A 62 -15.382 60.892 58.943 1.00 10.87 C
ATOM 462 CD1 LEU A 62 -15.449 59.543 58.304 1.00 12.71 C
ATOM 463 CD2 LEU A 62 -14.080 61.558 58.634 1.00 8.05 C
ATOM 464 N ALA A 63 -18.768 64.318 59.068 1.00 15.90 N
ATOM 465 CA ALA A 63 -19.745 65.194 58.448 1.00 15.13 C
ATOM 466 C ALA A 63 -19.090 66.465 57.968 1.00 16.56 C
ATOM 467 O ALA A 63 -18.319 67.087 58.682 1.00 19.70 O
ATOM 468 CB ALA A 63 -20.849 65.514 59.428 1.00 16.38 C
ATOM 469 N GLY A 64 -19.407 66.862 56.748 1.00 21.95 N
ATOM 470 CA GLY A 64 -18.811 68.062 56.195 1.00 24.74 C
ATOM 471 C GLY A 64 -17.595 67.741 55.349 1.00 24.49 C
ATOM 472 O GLY A 64 -17.086 68.607 54.634 1.00 24.43 O
ATOM 473 N CYS A 65 -17.089 66.519 55.478 1.00 24.01 N
ATOM 474 CA CYS A 65 -15.949 66.088 54.687 1.00 25.61 C
ATOM 475 C CYS A 65 -16.379 65.678 53.273 1.00 24.82 C
ATOM 476 O CYS A 65 -17.421 65.058 53.069 1.00 28.54 O
ATOM 477 CB CYS A 65 -15.215 64.957 55.386 1.00 23.22 C
ATOM 478 SG CYS A 65 -14.202 65.580 56.705 1.00 28.27 S
ATOM 479 N THR A 66 -15.578 66.063 52.296 1.00 24.21 N
ATOM 480 CA THR A 66 -15.868 65.765 50.910 1.00 19.03 C
ATOM 481 C THR A 66 -15.865 64.286 50.664 1.00 15.78 C
ATOM 482 O THR A 66 -14.949 63.575 51.085 1.00 17.98 O
ATOM 483 CB THR A 66 -14.827 66.428 49.985 1.00 19.41 C
ATOM 484 OG1 THR A 66 -14.929 67.852 50.106 1.00 22.84 O
ATOM 485 CG2 THR A 66 -15.040 66.037 48.541 1.00 20.47 C
ATOM 486 N GLY A 67 -16.908 63.823 49.995 1.00 14.31 N
ATOM 487 CA GLY A 67 -16.992 62.423 49.650 1.00 11.14 C
ATOM 488 C GLY A 67 -17.477 61.510 50.738 1.00 10.33 C
ATOM 489 O GLY A 67 -17.325 60.303 50.622 1.00 15.68 O
ATOM 490 N ILE A 68 -18.020 62.071 51.810 1.00 13.21 N
ATOM 491 CA ILE A 68 -18.557 61.274 52.917 1.00 8.76 C
ATOM 492 C ILE A 68 -20.029 61.628 52.881 1.00 7.16 C
ATOM 493 O ILE A 68 -20.379 62.806 52.954 1.00 11.89 O
ATOM 494 CB ILE A 68 -18.002 61.718 54.289 1.00 8.72 C
ATOM 495 CG1 ILE A 68 -16.470 61.803 54.263 1.00 3.84 C
ATOM 496 CG2 ILE A 68 -18.472 60.749 55.373 1.00 6.08 C
ATOM 497 CD1 ILE A 68 -15.806 60.489 54.167 1.00 2.00 C
ATOM 498 N PRO A 69 -20.909 60.640 52.698 1.00 2.00 N
ATOM 499 CA PRO A 69 -22.330 60.983 52.657 1.00 3.74 C
ATOM 500 C PRO A 69 -22.850 61.608 53.939 1.00 10.94 C
ATOM 501 O PRO A 69 -22.159 61.620 54.970 1.00 15.67 O
ATOM 502 CB PRO A 69 -23.012 59.646 52.374 1.00 2.00 C
ATOM 503 CG PRO A 69 -22.031 58.625 52.802 1.00 2.00 C
ATOM 504 CD PRO A 69 -20.696 59.211 52.439 1.00 2.00 C
ATOM 505 N ASN A 70 -24.056 62.158 53.855 1.00 12.22 N
ATOM 506 CA ASN A 70 -24.690 62.772 54.998 1.00 15.20 C
ATOM 507 C ASN A 70 -25.485 61.706 55.723 1.00 17.39 C
ATOM 508 O ASN A 70 -25.969 60.767 55.097 1.00 19.45 O
ATOM 509 CB ASN A 70 -25.621 63.899 54.557 1.00 21.05 C
ATOM 510 CG ASN A 70 -24.875 65.179 54.253 1.00 25.31 C
ATOM 511 OD1 ASN A 70 -24.128 65.684 55.093 1.00 22.59 O
ATOM 512 ND2 ASN A 70 -25.046 65.699 53.041 1.00 27.94 N
ATOM 513 N VAL A 71 -25.550 61.804 57.044 1.00 15.48 N
ATOM 514 CA VAL A 71 -26.304 60.859 57.837 1.00 13.30 C
ATOM 515 C VAL A 71 -27.509 61.673 58.312 1.00 13.83 C
ATOM 516 O VAL A 71 -27.446 62.905 58.388 1.00 15.89 O
ATOM 517 CB VAL A 71 -25.432 60.276 58.968 1.00 15.68 C
ATOM 518 CG1 VAL A 71 -25.306 61.231 60.139 1.00 15.73 C
ATOM 519 CG2 VAL A 71 -25.943 58.933 59.375 1.00 14.01 C
ATOM 520 N TYR A 72 -28.635 61.015 58.535 1.00 12.35 N
ATOM 521 CA TYR A 72 -29.847 61.741 58.916 1.00 12.43 C
ATOM 522 C TYR A 72 -30.583 61.251 60.153 1.00 8.69 C
ATOM 523 O TYR A 72 -31.247 62.029 60.813 1.00 11.22 O
ATOM 524 CB TYR A 72 -30.848 61.761 57.741 1.00 10.39 C
ATOM 525 CG TYR A 72 -30.383 62.504 56.509 1.00 12.00 C
ATOM 526 CD1 TYR A 72 -30.171 63.876 56.535 1.00 14.07 C
ATOM 527 CD2 TYR A 72 -30.092 61.825 55.336 1.00 10.13 C
ATOM 528 CE1 TYR A 72 -29.669 64.545 55.425 1.00 14.02 C
ATOM 529 CE2 TYR A 72 -29.589 62.489 54.229 1.00 10.22 C
ATOM 530 CZ TYR A 72 -29.377 63.841 54.285 1.00 11.33 C
ATOM 531 OH TYR A 72 -28.824 64.486 53.216 1.00 19.75 O
ATOM 532 N TYR A 73 -30.455 59.977 60.473 1.00 7.81 N
ATOM 533 CA TYR A 73 -31.167 59.436 61.603 1.00 12.75 C
ATOM 534 C TYR A 73 -30.636 58.076 62.016 1.00 14.91 C
ATOM 535 O TYR A 73 -30.098 57.340 61.210 1.00 20.97 O
ATOM 536 CB TYR A 73 -32.658 59.335 61.229 1.00 9.72 C
ATOM 537 CG TYR A 73 -33.522 58.583 62.215 1.00 11.55 C
ATOM 538 CD1 TYR A 73 -34.105 59.228 63.313 1.00 13.64 C
ATOM 539 CD2 TYR A 73 -33.744 57.217 62.064 1.00 13.01 C
ATOM 540 CE1 TYR A 73 -34.886 58.525 64.237 1.00 10.08 C
ATOM 541 CE2 TYR A 73 -34.520 56.504 62.983 1.00 16.74 C
ATOM 542 CZ TYR A 73 -35.086 57.161 64.064 1.00 14.10 C
ATOM 543 OH TYR A 73 -35.840 56.436 64.957 1.00 20.37 O
ATOM 544 N PHE A 74 -30.749 57.784 63.298 1.00 20.86 N
ATOM 545 CA PHE A 74 -30.362 56.498 63.867 1.00 23.05 C
ATOM 546 C PHE A 74 -31.402 56.205 64.966 1.00 23.29 C
ATOM 547 O PHE A 74 -31.797 57.107 65.714 1.00 28.81 O
ATOM 548 CB PHE A 74 -28.951 56.525 64.469 1.00 23.25 C
ATOM 549 CG PHE A 74 -28.617 55.275 65.247 1.00 30.50 C
ATOM 550 CD1 PHE A 74 -28.102 54.148 64.600 1.00 30.48 C
ATOM 551 CD2 PHE A 74 -28.922 55.180 66.609 1.00 29.63 C
ATOM 552 CE1 PHE A 74 -27.907 52.939 65.297 1.00 32.67 C
ATOM 553 CE2 PHE A 74 -28.732 53.979 67.307 1.00 30.46 C
ATOM 554 CZ PHE A 74 -28.227 52.859 66.650 1.00 29.79 C
ATOM 555 N GLY A 75 -31.859 54.965 65.053 1.00 20.21 N
ATOM 556 CA GLY A 75 -32.848 54.627 66.050 1.00 25.30 C
ATOM 557 C GLY A 75 -33.106 53.145 65.996 1.00 27.97 C
ATOM 558 O GLY A 75 -32.409 52.429 65.295 1.00 29.43 O
ATOM 559 N GLN A 76 -34.074 52.670 66.761 1.00 32.16 N
ATOM 560 CA GLN A 76 -34.397 51.262 66.756 1.00 34.46 C
ATOM 561 C GLN A 76 -35.838 51.135 66.323 1.00 33.96 C
ATOM 562 O GLN A 76 -36.676 52.000 66.610 1.00 33.98 O
ATOM 563 CB GLN A 76 -34.152 50.628 68.134 1.00 41.76 C
ATOM 564 CG GLN A 76 -32.658 50.487 68.484 1.00 53.34 C
ATOM 565 CD GLN A 76 -32.380 49.831 69.847 1.00 61.42 C
ATOM 566 OE1 GLN A 76 -33.259 49.211 70.454 1.00 64.72 O
ATOM 567 NE2 GLN A 76 -31.142 49.967 70.325 1.00 62.42 N
ATOM 568 N GLU A 77 -36.086 50.113 65.524 1.00 33.47 N
ATOM 569 CA GLU A 77 -37.405 49.825 65.004 1.00 37.49 C
ATOM 570 C GLU A 77 -37.533 48.315 65.142 1.00 40.54 C
ATOM 571 O GLU A 77 -36.873 47.566 64.408 1.00 42.92 O
ATOM 572 CB GLU A 77 -37.493 50.210 63.516 1.00 37.18 C
ATOM 573 CG GLU A 77 -37.260 51.691 63.196 1.00 36.68 C
ATOM 574 CD GLU A 77 -38.525 52.530 63.217 1.00 34.11 C
ATOM 575 OE1 GLU A 77 -39.618 51.976 62.944 1.00 33.86 O
ATOM 576 OE2 GLU A 77 -38.416 53.748 63.490 1.00 33.46 O
ATOM 577 N GLY A 78 -38.318 47.866 66.120 1.00 41.44 N
ATOM 578 CA GLY A 78 -38.511 46.439 66.320 1.00 40.71 C
ATOM 579 C GLY A 78 -37.213 45.710 66.597 1.00 40.09 C
ATOM 580 O GLY A 78 -36.421 46.164 67.411 1.00 43.09 O
ATOM 581 N LEU A 79 -36.982 44.602 65.903 1.00 38.41 N
ATOM 582 CA LEU A 79 -35.765 43.803 66.080 1.00 38.71 C
ATOM 583 C LEU A 79 -34.607 44.343 65.226 1.00 35.19 C
ATOM 584 O LEU A 79 -33.650 43.619 64.949 1.00 34.79 O
ATOM 585 CB LEU A 79 -36.049 42.349 65.666 1.00 43.29 C
ATOM 586 CG LEU A 79 -37.315 41.697 66.235 1.00 47.80 C
ATOM 587 CD1 LEU A 79 -37.734 40.533 65.364 1.00 52.16 C
ATOM 588 CD2 LEU A 79 -37.095 41.244 67.665 1.00 49.16 C
ATOM 589 N HIS A 80 -34.689 45.610 64.819 1.00 32.52 N
ATOM 590 CA HIS A 80 -33.677 46.215 63.952 1.00 27.08 C
ATOM 591 C HIS A 80 -33.223 47.614 64.343 1.00 25.91 C
ATOM 592 O HIS A 80 -33.982 48.376 64.937 1.00 23.51 O
ATOM 593 CB HIS A 80 -34.218 46.296 62.518 1.00 22.42 C
ATOM 594 CG HIS A 80 -34.395 44.969 61.857 1.00 19.47 C
ATOM 595 ND1 HIS A 80 -33.350 44.285 61.273 1.00 18.24 N
ATOM 596 CD2 HIS A 80 -35.484 44.179 61.712 1.00 17.96 C
ATOM 597 CE1 HIS A 80 -33.786 43.139 60.795 1.00 20.49 C
ATOM 598 NE2 HIS A 80 -35.082 43.047 61.048 1.00 22.52 N
ATOM 599 N ASN A 81 -31.969 47.929 64.022 1.00 24.07 N
ATOM 600 CA ASN A 81 -31.409 49.265 64.237 1.00 22.34 C
ATOM 601 C ASN A 81 -31.407 49.827 62.800 1.00 20.56 C
ATOM 602 O ASN A 81 -31.124 49.081 61.856 1.00 22.45 O
ATOM 603 CB ASN A 81 -29.961 49.204 64.759 1.00 24.13 C
ATOM 604 CG ASN A 81 -29.852 48.707 66.204 1.00 22.62 C
ATOM 605 OD1 ASN A 81 -30.318 49.344 67.151 1.00 17.11 O
ATOM 606 ND2 ASN A 81 -29.186 47.580 66.371 1.00 21.17 N
ATOM 607 N VAL A 82 -31.771 51.094 62.619 1.00 14.43 N
ATOM 608 CA VAL A 82 -31.802 51.689 61.288 1.00 13.34 C
ATOM 609 C VAL A 82 -30.901 52.941 61.177 1.00 15.24 C
ATOM 610 O VAL A 82 -30.907 53.800 62.067 1.00 12.00 O
ATOM 611 CB VAL A 82 -33.269 52.053 60.843 1.00 12.53 C
ATOM 612 CG1 VAL A 82 -34.249 50.978 61.273 1.00 13.99 C
ATOM 613 CG2 VAL A 82 -33.703 53.402 61.399 1.00 13.19 C
ATOM 614 N LEU A 83 -30.125 53.035 60.095 1.00 13.30 N
ATOM 615 CA LEU A 83 -29.255 54.182 59.856 1.00 10.12 C
ATOM 616 C LEU A 83 -29.710 54.702 58.513 1.00 11.67 C
ATOM 617 O LEU A 83 -29.769 53.935 57.555 1.00 16.63 O
ATOM 618 CB LEU A 83 -27.799 53.737 59.764 1.00 11.25 C
ATOM 619 CG LEU A 83 -26.773 54.811 59.401 1.00 11.68 C
ATOM 620 CD1 LEU A 83 -26.670 55.801 60.514 1.00 10.91 C
ATOM 621 CD2 LEU A 83 -25.424 54.191 59.163 1.00 10.22 C
ATOM 622 N VAL A 84 -30.042 55.985 58.437 1.00 9.68 N
ATOM 623 CA VAL A 84 -30.525 56.598 57.196 1.00 5.37 C