diff options
Diffstat (limited to 'plip/test/pdb/1rmd.pdb')
| -rw-r--r-- | plip/test/pdb/1rmd.pdb | 1373 |
1 files changed, 0 insertions, 1373 deletions
diff --git a/plip/test/pdb/1rmd.pdb b/plip/test/pdb/1rmd.pdb deleted file mode 100644 index d25a789..0000000 --- a/plip/test/pdb/1rmd.pdb +++ /dev/null @@ -1,1373 +0,0 @@ -HEADER DNA-BINDING PROTEIN 10-JAN-97 1RMD -TITLE RAG1 DIMERIZATION DOMAIN -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: RAG1; -COMPND 3 CHAIN: A; -COMPND 4 FRAGMENT: ZINC-BINDING DIMERIZATION DOMAIN; -COMPND 5 SYNONYM: V(D)J RECOMBINATION ACTIVATING PROTEIN 1; -COMPND 6 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; -SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; -SOURCE 4 ORGANISM_TAXID: 10090; -SOURCE 5 CELL_LINE: BL21; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: BL21 -KEYWDS RAG1, V(D)J RECOMBINATION, ANTIBODY, MAD, RING FINGER, ZINC -KEYWDS 2 BINUCLEAR CLUSTER, ZINC FINGER, DNA-BINDING PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR S.F.BELLON,K.K.RODGERS,D.G.SCHATZ,J.E.COLEMAN,T.A.STEITZ -REVDAT 3 24-FEB-09 1RMD 1 VERSN -REVDAT 2 01-APR-03 1RMD 1 JRNL -REVDAT 1 23-JUL-97 1RMD 0 -JRNL AUTH S.F.BELLON,K.K.RODGERS,D.G.SCHATZ,J.E.COLEMAN, -JRNL AUTH 2 T.A.STEITZ -JRNL TITL CRYSTAL STRUCTURE OF THE RAG1 DIMERIZATION DOMAIN -JRNL TITL 2 REVEALS MULTIPLE ZINC-BINDING MOTIFS INCLUDING A -JRNL TITL 3 NOVEL ZINC BINUCLEAR CLUSTER. -JRNL REF NAT.STRUCT.BIOL. V. 4 586 1997 -JRNL REFN ISSN 1072-8368 -JRNL PMID 9228952 -JRNL DOI 10.1038/NSB0797-586 -REMARK 1 -REMARK 2 -REMARK 2 RESOLUTION. 2.10 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR 3.851 -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 -REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 60.5 -REMARK 3 NUMBER OF REFLECTIONS : 6970 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING SET) : 0.209 -REMARK 3 FREE R VALUE : 0.257 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.600 -REMARK 3 FREE R VALUE TEST SET COUNT : 668 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 8 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.20 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 29.40 -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 372 -REMARK 3 BIN R VALUE (WORKING SET) : 0.2590 -REMARK 3 BIN FREE R VALUE : 0.2760 -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.40 -REMARK 3 BIN FREE R VALUE TEST SET COUNT : 43 -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.042 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 911 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 4 -REMARK 3 SOLVENT ATOMS : 52 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 15.40 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.70 -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) : 0.25 -REMARK 3 ESD FROM SIGMAA (A) : 0.21 -REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.30 -REMARK 3 ESD FROM C-V SIGMAA (A) : 0.25 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.010 -REMARK 3 BOND ANGLES (DEGREES) : 2.10 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.20 -REMARK 3 IMPROPER ANGLES (DEGREES) : 1.47 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : OVERALL -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 : PARHCSDX.PRO -REMARK 3 PARAMETER FILE 2 : PAR.WAT -REMARK 3 PARAMETER FILE 3 : PAR.ZN -REMARK 3 PARAMETER FILE 4 : NULL -REMARK 3 PARAMETER FILE 5 : NULL -REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO -REMARK 3 TOPOLOGY FILE 2 : TOP_116_117.ZN -REMARK 3 TOPOLOGY FILE 3 : TOP_118.ZN -REMARK 3 TOPOLOGY FILE 4 : TOP_119.ZN -REMARK 3 TOPOLOGY FILE 5 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: LOCAL SCALING USING MAXSCALE WAS -REMARK 3 USED TO CORRECT THE HIGHLY ANISOTROPIC DATA. THE LOW OVERALL -REMARK 3 COMPLETION OF THE DATA REFLECT THIS ANISOTROPY. -REMARK 4 -REMARK 4 1RMD 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 : JUN-96 -REMARK 200 TEMPERATURE (KELVIN) : 110 -REMARK 200 PH : 7.5 -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) : 1.35 -REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111) -REMARK 200 OPTICS : MIRRORS -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE AREA DETECTOR -REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 36957 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 -REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 93.9 -REMARK 200 DATA REDUNDANCY : 3.600 -REMARK 200 R MERGE (I) : 0.07200 -REMARK 200 R SYM (I) : 0.07200 -REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.0000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.15 -REMARK 200 COMPLETENESS FOR SHELL (%) : 95.6 -REMARK 200 DATA REDUNDANCY IN SHELL : 2.80 -REMARK 200 R MERGE FOR SHELL (I) : 0.61000 -REMARK 200 R SYM FOR SHELL (I) : 0.61000 -REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.100 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD -REMARK 200 SOFTWARE USED: BAZFAZ -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 65.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.58 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 5-10 % PEG 4K, 100MM HEPES, PH 7.5, -REMARK 280 10% ETHYLENE GLYCOL -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 65.62000 -REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.81000 -REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.81000 -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 65.62000 -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 65.62000 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ILE A 28 -66.61 -101.88 -REMARK 500 LYS A 55 -72.99 -78.45 -REMARK 500 ASP A 95 -4.35 68.78 -REMARK 500 ASN A 97 54.10 -119.95 -REMARK 500 SER A 111 -9.28 -57.49 -REMARK 500 SER A 115 -87.31 -68.59 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 117 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 CYS A 2 SG -REMARK 620 2 HIS A 6 ND1 114.1 -REMARK 620 3 CYS A 29 SG 110.1 111.3 -REMARK 620 4 HIS A 31 ND1 106.3 120.9 92.0 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 118 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 CYS A 26 SG -REMARK 620 2 CYS A 29 SG 99.2 -REMARK 620 3 CYS A 46 SG 106.2 106.3 -REMARK 620 4 CYS A 49 SG 122.8 107.6 112.9 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 119 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 CYS A 41 SG -REMARK 620 2 HIS A 43 ND1 99.6 -REMARK 620 3 CYS A 61 SG 106.8 114.7 -REMARK 620 4 CYS A 64 SG 101.0 113.5 118.1 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 120 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 CYS A 91 SG -REMARK 620 2 CYS A 96 SG 114.3 -REMARK 620 3 HIS A 108 NE2 99.3 111.3 -REMARK 620 4 HIS A 112 NE2 105.0 119.8 104.8 -REMARK 620 N 1 2 3 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 117 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 118 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 119 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 120 -DBREF 1RMD A 1 116 UNP P15919 RAG1_MOUSE 265 380 -SEQRES 1 A 116 ASN CYS SER LYS ILE HIS LEU SER THR LYS LEU LEU ALA -SEQRES 2 A 116 VAL ASP PHE PRO ALA HIS PHE VAL LYS SER ILE SER CYS -SEQRES 3 A 116 GLN ILE CYS GLU HIS ILE LEU ALA ASP PRO VAL GLU THR -SEQRES 4 A 116 SER CYS LYS HIS LEU PHE CYS ARG ILE CYS ILE LEU ARG -SEQRES 5 A 116 CYS LEU LYS VAL MET GLY SER TYR CYS PRO SER CYS ARG -SEQRES 6 A 116 TYR PRO CYS PHE PRO THR ASP LEU GLU SER PRO VAL LYS -SEQRES 7 A 116 SER PHE LEU ASN ILE LEU ASN SER LEU MET VAL LYS CYS -SEQRES 8 A 116 PRO ALA GLN ASP CYS ASN GLU GLU VAL SER LEU GLU LYS -SEQRES 9 A 116 TYR ASN HIS HIS VAL SER SER HIS LYS GLU SER LYS -HET ZN A 117 1 -HET ZN A 118 1 -HET ZN A 119 1 -HET ZN A 120 1 -HETNAM ZN ZINC ION -FORMUL 2 ZN 4(ZN 2+) -FORMUL 6 HOH *52(H2 O) -HELIX 1 1 CYS A 2 LYS A 4 5 3 -HELIX 2 2 THR A 9 LEU A 11 5 3 -HELIX 3 3 ALA A 18 SER A 23 1 6 -HELIX 4 4 ARG A 47 VAL A 56 1 10 -HELIX 5 5 PRO A 70 ASP A 72 5 3 -HELIX 6 6 LYS A 78 SER A 86 1 9 -HELIX 7 7 LEU A 102 SER A 110 1 9 -SHEET 1 A 2 PRO A 36 GLU A 38 0 -SHEET 2 A 2 LEU A 44 CYS A 46 -1 N PHE A 45 O VAL A 37 -SHEET 1 B 2 MET A 88 LYS A 90 0 -SHEET 2 B 2 GLU A 99 SER A 101 -1 N VAL A 100 O VAL A 89 -LINK ZN ZN A 117 SG CYS A 2 1555 1555 2.31 -LINK ZN ZN A 117 ND1 HIS A 6 1555 1555 1.87 -LINK ZN ZN A 117 SG CYS A 29 1555 1555 2.35 -LINK ZN ZN A 117 ND1 HIS A 31 1555 1555 2.08 -LINK ZN ZN A 118 SG CYS A 26 1555 1555 2.33 -LINK ZN ZN A 118 SG CYS A 29 1555 1555 2.32 -LINK ZN ZN A 118 SG CYS A 46 1555 1555 2.24 -LINK ZN ZN A 118 SG CYS A 49 1555 1555 2.26 -LINK ZN ZN A 119 SG CYS A 41 1555 1555 2.37 -LINK ZN ZN A 119 ND1 HIS A 43 1555 1555 2.07 -LINK ZN ZN A 119 SG CYS A 61 1555 1555 2.28 -LINK ZN ZN A 119 SG CYS A 64 1555 1555 2.25 -LINK ZN ZN A 120 SG CYS A 91 1555 1555 2.31 -LINK ZN ZN A 120 SG CYS A 96 1555 1555 2.39 -LINK ZN ZN A 120 NE2 HIS A 108 1555 1555 1.99 -LINK ZN ZN A 120 NE2 HIS A 112 1555 1555 1.96 -SITE 1 AC1 4 CYS A 2 HIS A 6 CYS A 29 HIS A 31 -SITE 1 AC2 4 CYS A 26 CYS A 29 CYS A 46 CYS A 49 -SITE 1 AC3 4 CYS A 41 HIS A 43 CYS A 61 CYS A 64 -SITE 1 AC4 4 CYS A 91 CYS A 96 HIS A 108 HIS A 112 -CRYST1 57.580 57.580 98.430 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 0.017367 0.010027 0.000000 0.00000 -SCALE2 0.000000 0.020054 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.010160 0.00000 -ATOM 1 N ASN A 1 0.736 27.946 53.948 1.00 37.25 N -ATOM 2 CA ASN A 1 0.517 27.822 52.473 1.00 36.11 C -ATOM 3 C ASN A 1 -0.262 28.992 51.864 1.00 33.55 C -ATOM 4 O ASN A 1 -0.528 29.997 52.539 1.00 33.59 O -ATOM 5 CB ASN A 1 -0.208 26.506 52.166 1.00 40.18 C -ATOM 6 CG ASN A 1 -1.431 26.291 53.037 1.00 42.71 C -ATOM 7 OD1 ASN A 1 -1.816 27.161 53.820 1.00 49.46 O -ATOM 8 ND2 ASN A 1 -2.048 25.118 52.909 1.00 45.85 N -ATOM 9 N CYS A 2 -0.610 28.869 50.581 1.00 28.40 N -ATOM 10 CA CYS A 2 -1.380 29.916 49.897 1.00 28.25 C -ATOM 11 C CYS A 2 -2.842 29.920 50.343 1.00 26.42 C -ATOM 12 O CYS A 2 -3.631 30.761 49.917 1.00 27.83 O -ATOM 13 CB CYS A 2 -1.295 29.758 48.373 1.00 26.23 C -ATOM 14 SG CYS A 2 -1.810 28.164 47.735 1.00 21.06 S -ATOM 15 N SER A 3 -3.192 28.949 51.180 1.00 25.33 N -ATOM 16 CA SER A 3 -4.537 28.800 51.725 1.00 25.26 C -ATOM 17 C SER A 3 -4.828 29.958 52.680 1.00 24.36 C -ATOM 18 O SER A 3 -5.990 30.273 52.955 1.00 24.59 O -ATOM 19 CB SER A 3 -4.645 27.456 52.463 1.00 26.33 C -ATOM 20 OG SER A 3 -5.976 26.966 52.533 1.00 32.06 O -ATOM 21 N LYS A 4 -3.765 30.578 53.186 1.00 24.65 N -ATOM 22 CA LYS A 4 -3.868 31.729 54.098 1.00 26.89 C -ATOM 23 C LYS A 4 -4.240 32.978 53.319 1.00 27.65 C -ATOM 24 O LYS A 4 -4.723 33.954 53.896 1.00 27.77 O -ATOM 25 CB LYS A 4 -2.520 32.021 54.772 1.00 23.67 C -ATOM 26 CG LYS A 4 -2.152 31.070 55.872 1.00 27.40 C -ATOM 27 CD LYS A 4 -0.895 31.523 56.584 1.00 22.76 C -ATOM 28 CE LYS A 4 -0.979 31.169 58.032 1.00 9.82 C -ATOM 29 NZ LYS A 4 0.281 31.498 58.675 1.00 24.93 N -ATOM 30 N ILE A 5 -3.965 32.943 52.016 1.00 26.14 N -ATOM 31 CA ILE A 5 -4.198 34.069 51.130 1.00 26.27 C -ATOM 32 C ILE A 5 -5.186 33.814 49.995 1.00 26.60 C -ATOM 33 O ILE A 5 -5.635 34.767 49.335 1.00 21.76 O -ATOM 34 CB ILE A 5 -2.856 34.564 50.508 1.00 28.67 C -ATOM 35 CG1 ILE A 5 -2.014 33.379 50.017 1.00 30.18 C -ATOM 36 CG2 ILE A 5 -2.080 35.394 51.518 1.00 32.08 C -ATOM 37 CD1 ILE A 5 -0.761 33.774 49.275 1.00 31.21 C -ATOM 38 N HIS A 6 -5.517 32.540 49.771 1.00 25.18 N -ATOM 39 CA HIS A 6 -6.431 32.157 48.697 1.00 22.43 C -ATOM 40 C HIS A 6 -7.803 31.677 49.167 1.00 20.05 C -ATOM 41 O HIS A 6 -7.946 31.192 50.281 1.00 14.95 O -ATOM 42 CB HIS A 6 -5.767 31.090 47.835 1.00 19.92 C -ATOM 43 CG HIS A 6 -4.604 31.595 47.045 1.00 20.06 C -ATOM 44 ND1 HIS A 6 -3.770 30.734 46.359 1.00 16.46 N -ATOM 45 CD2 HIS A 6 -4.162 32.867 46.886 1.00 20.79 C -ATOM 46 CE1 HIS A 6 -2.840 31.497 45.817 1.00 20.77 C -ATOM 47 NE2 HIS A 6 -3.032 32.800 46.107 1.00 21.53 N -ATOM 48 N LEU A 7 -8.815 31.839 48.318 1.00 15.72 N -ATOM 49 CA LEU A 7 -10.157 31.405 48.662 1.00 20.87 C -ATOM 50 C LEU A 7 -10.457 29.988 48.136 1.00 21.13 C -ATOM 51 O LEU A 7 -10.072 29.643 47.015 1.00 20.29 O -ATOM 52 CB LEU A 7 -11.184 32.403 48.120 1.00 21.07 C -ATOM 53 CG LEU A 7 -12.043 33.166 49.138 1.00 24.13 C -ATOM 54 CD1 LEU A 7 -11.212 33.711 50.331 1.00 16.06 C -ATOM 55 CD2 LEU A 7 -12.753 34.297 48.404 1.00 25.51 C -ATOM 56 N SER A 8 -11.105 29.168 48.966 1.00 16.69 N -ATOM 57 CA SER A 8 -11.479 27.798 48.601 1.00 14.82 C -ATOM 58 C SER A 8 -12.720 27.839 47.729 1.00 17.01 C -ATOM 59 O SER A 8 -13.635 28.642 47.978 1.00 18.20 O -ATOM 60 CB SER A 8 -11.803 26.970 49.852 1.00 16.93 C -ATOM 61 OG SER A 8 -12.551 25.810 49.505 1.00 15.42 O -ATOM 62 N THR A 9 -12.794 26.958 46.736 1.00 14.02 N -ATOM 63 CA THR A 9 -13.961 26.958 45.877 1.00 14.95 C -ATOM 64 C THR A 9 -15.260 26.583 46.626 1.00 17.29 C -ATOM 65 O THR A 9 -16.373 26.810 46.127 1.00 19.28 O -ATOM 66 CB THR A 9 -13.771 26.050 44.653 1.00 16.07 C -ATOM 67 OG1 THR A 9 -13.493 24.718 45.080 1.00 15.85 O -ATOM 68 CG2 THR A 9 -12.620 26.551 43.794 1.00 19.06 C -ATOM 69 N LYS A 10 -15.145 26.061 47.838 1.00 16.13 N -ATOM 70 CA LYS A 10 -16.353 25.698 48.550 1.00 21.31 C -ATOM 71 C LYS A 10 -17.042 26.947 49.091 1.00 19.86 C -ATOM 72 O LYS A 10 -18.159 26.860 49.595 1.00 21.29 O -ATOM 73 CB LYS A 10 -16.088 24.635 49.636 1.00 27.45 C -ATOM 74 CG LYS A 10 -15.299 25.115 50.841 1.00 42.69 C -ATOM 75 CD LYS A 10 -14.541 23.960 51.486 1.00 51.68 C -ATOM 76 CE LYS A 10 -13.586 24.459 52.574 1.00 55.89 C -ATOM 77 NZ LYS A 10 -12.623 23.389 53.000 1.00 56.88 N -ATOM 78 N LEU A 11 -16.404 28.113 48.943 1.00 17.01 N -ATOM 79 CA LEU A 11 -17.018 29.358 49.388 1.00 16.12 C -ATOM 80 C LEU A 11 -17.931 29.934 48.303 1.00 20.10 C -ATOM 81 O LEU A 11 -18.604 30.946 48.521 1.00 15.13 O -ATOM 82 CB LEU A 11 -15.972 30.393 49.805 1.00 15.55 C -ATOM 83 CG LEU A 11 -15.092 30.032 51.013 1.00 21.51 C -ATOM 84 CD1 LEU A 11 -14.175 31.206 51.395 1.00 18.27 C -ATOM 85 CD2 LEU A 11 -15.985 29.648 52.187 1.00 17.71 C -ATOM 86 N LEU A 12 -17.952 29.293 47.130 1.00 21.46 N -ATOM 87 CA LEU A 12 -18.799 29.750 46.024 1.00 19.76 C -ATOM 88 C LEU A 12 -20.258 29.611 46.414 1.00 22.19 C -ATOM 89 O LEU A 12 -20.693 28.546 46.865 1.00 18.17 O -ATOM 90 CB LEU A 12 -18.557 28.910 44.773 1.00 19.64 C -ATOM 91 CG LEU A 12 -17.283 29.202 43.975 1.00 25.00 C -ATOM 92 CD1 LEU A 12 -17.075 28.155 42.870 1.00 18.26 C -ATOM 93 CD2 LEU A 12 -17.348 30.630 43.422 1.00 18.28 C -ATOM 94 N ALA A 13 -21.016 30.681 46.210 1.00 21.09 N -ATOM 95 CA ALA A 13 -22.434 30.692 46.526 1.00 23.83 C -ATOM 96 C ALA A 13 -23.206 29.716 45.653 1.00 25.32 C -ATOM 97 O ALA A 13 -24.001 28.914 46.136 1.00 27.91 O -ATOM 98 CB ALA A 13 -22.992 32.093 46.339 1.00 22.64 C -ATOM 99 N VAL A 14 -22.959 29.789 44.358 1.00 24.82 N -ATOM 100 CA VAL A 14 -23.652 28.954 43.399 1.00 25.61 C -ATOM 101 C VAL A 14 -23.058 27.569 43.247 1.00 24.14 C -ATOM 102 O VAL A 14 -21.842 27.409 43.246 1.00 25.49 O -ATOM 103 CB VAL A 14 -23.646 29.630 42.033 1.00 25.53 C -ATOM 104 CG1 VAL A 14 -24.455 28.823 41.050 1.00 24.61 C -ATOM 105 CG2 VAL A 14 -24.195 31.039 42.163 1.00 24.64 C -ATOM 106 N ASP A 15 -23.925 26.580 43.060 1.00 22.37 N -ATOM 107 CA ASP A 15 -23.492 25.199 42.858 1.00 24.36 C -ATOM 108 C ASP A 15 -23.260 24.916 41.355 1.00 23.63 C -ATOM 109 O ASP A 15 -24.094 24.284 40.681 1.00 25.06 O -ATOM 110 CB ASP A 15 -24.547 24.246 43.430 1.00 30.13 C -ATOM 111 CG ASP A 15 -24.080 22.803 43.449 1.00 35.84 C -ATOM 112 OD1 ASP A 15 -22.853 22.573 43.373 1.00 37.65 O -ATOM 113 OD2 ASP A 15 -24.939 21.897 43.524 1.00 39.22 O -ATOM 114 N PHE A 16 -22.118 25.354 40.835 1.00 19.65 N -ATOM 115 CA PHE A 16 -21.792 25.184 39.412 1.00 18.42 C -ATOM 116 C PHE A 16 -21.395 23.749 39.012 1.00 17.84 C -ATOM 117 O PHE A 16 -21.055 22.930 39.880 1.00 16.49 O -ATOM 118 CB PHE A 16 -20.616 26.109 39.058 1.00 21.05 C -ATOM 119 CG PHE A 16 -20.948 27.584 39.046 1.00 15.67 C -ATOM 120 CD1 PHE A 16 -21.869 28.100 38.152 1.00 16.76 C -ATOM 121 CD2 PHE A 16 -20.293 28.457 39.908 1.00 16.73 C -ATOM 122 CE1 PHE A 16 -22.138 29.470 38.105 1.00 20.65 C -ATOM 123 CE2 PHE A 16 -20.550 29.827 39.875 1.00 21.29 C -ATOM 124 CZ PHE A 16 -21.477 30.339 38.970 1.00 17.79 C -ATOM 125 N PRO A 17 -21.451 23.414 37.691 1.00 15.95 N -ATOM 126 CA PRO A 17 -21.067 22.067 37.192 1.00 9.51 C -ATOM 127 C PRO A 17 -19.575 21.907 37.512 1.00 13.85 C -ATOM 128 O PRO A 17 -18.854 22.914 37.570 1.00 14.71 O -ATOM 129 CB PRO A 17 -21.296 22.183 35.695 1.00 11.22 C -ATOM 130 CG PRO A 17 -22.484 23.119 35.636 1.00 9.10 C -ATOM 131 CD PRO A 17 -22.116 24.201 36.633 1.00 6.31 C -ATOM 132 N ALA A 18 -19.106 20.677 37.727 1.00 11.55 N -ATOM 133 CA ALA A 18 -17.702 20.468 38.119 1.00 13.58 C -ATOM 134 C ALA A 18 -16.620 20.945 37.149 1.00 12.16 C -ATOM 135 O ALA A 18 -15.547 21.409 37.594 1.00 11.21 O -ATOM 136 CB ALA A 18 -17.442 19.021 38.486 1.00 12.60 C -ATOM 137 N HIS A 19 -16.872 20.833 35.846 1.00 4.09 N -ATOM 138 CA HIS A 19 -15.852 21.259 34.893 1.00 6.69 C -ATOM 139 C HIS A 19 -15.730 22.774 34.877 1.00 9.50 C -ATOM 140 O HIS A 19 -14.634 23.300 34.702 1.00 13.04 O -ATOM 141 CB HIS A 19 -16.082 20.661 33.519 1.00 4.91 C -ATOM 142 CG HIS A 19 -15.850 19.170 33.452 1.00 13.27 C -ATOM 143 ND1 HIS A 19 -14.915 18.519 34.232 1.00 18.73 N -ATOM 144 CD2 HIS A 19 -16.442 18.205 32.700 1.00 12.61 C -ATOM 145 CE1 HIS A 19 -14.941 17.220 33.970 1.00 14.24 C -ATOM 146 NE2 HIS A 19 -15.858 17.005 33.041 1.00 19.91 N -ATOM 147 N PHE A 20 -16.824 23.473 35.162 1.00 8.11 N -ATOM 148 CA PHE A 20 -16.767 24.922 35.196 1.00 13.45 C -ATOM 149 C PHE A 20 -15.997 25.352 36.453 1.00 14.14 C -ATOM 150 O PHE A 20 -15.194 26.282 36.402 1.00 13.12 O -ATOM 151 CB PHE A 20 -18.158 25.556 35.177 1.00 11.67 C -ATOM 152 CG PHE A 20 -18.139 27.052 35.366 1.00 15.45 C -ATOM 153 CD1 PHE A 20 -17.752 27.897 34.325 1.00 14.62 C -ATOM 154 CD2 PHE A 20 -18.456 27.611 36.591 1.00 9.48 C -ATOM 155 CE1 PHE A 20 -17.679 29.285 34.505 1.00 10.89 C -ATOM 156 CE2 PHE A 20 -18.386 29.000 36.780 1.00 15.46 C -ATOM 157 CZ PHE A 20 -17.995 29.835 35.732 1.00 5.13 C -ATOM 158 N VAL A 21 -16.253 24.682 37.573 1.00 12.16 N -ATOM 159 CA VAL A 21 -15.570 24.996 38.811 1.00 13.87 C -ATOM 160 C VAL A 21 -14.059 24.831 38.618 1.00 19.59 C -ATOM 161 O VAL A 21 -13.233 25.612 39.139 1.00 15.82 O -ATOM 162 CB VAL A 21 -15.994 24.058 39.934 1.00 9.26 C -ATOM 163 CG1 VAL A 21 -15.089 24.276 41.164 1.00 13.80 C -ATOM 164 CG2 VAL A 21 -17.429 24.327 40.316 1.00 13.03 C -ATOM 165 N LYS A 22 -13.713 23.783 37.880 1.00 18.69 N -ATOM 166 CA LYS A 22 -12.330 23.463 37.587 1.00 19.48 C -ATOM 167 C LYS A 22 -11.679 24.575 36.725 1.00 19.02 C -ATOM 168 O LYS A 22 -10.495 24.933 36.920 1.00 10.21 O -ATOM 169 CB LYS A 22 -12.308 22.122 36.862 1.00 26.95 C -ATOM 170 CG LYS A 22 -10.950 21.647 36.422 1.00 31.56 C -ATOM 171 CD LYS A 22 -10.842 21.625 34.913 1.00 36.46 C -ATOM 172 CE LYS A 22 -9.507 21.058 34.526 1.00 40.89 C -ATOM 173 NZ LYS A 22 -9.382 19.748 35.163 1.00 45.93 N -ATOM 174 N SER A 23 -12.484 25.141 35.815 1.00 14.81 N -ATOM 175 CA SER A 23 -12.033 26.192 34.902 1.00 15.27 C -ATOM 176 C SER A 23 -11.653 27.479 35.607 1.00 15.56 C -ATOM 177 O SER A 23 -10.838 28.218 35.098 1.00 9.87 O -ATOM 178 CB SER A 23 -13.083 26.502 33.835 1.00 15.11 C -ATOM 179 OG SER A 23 -14.182 27.243 34.349 1.00 20.08 O -ATOM 180 N ILE A 24 -12.270 27.772 36.750 1.00 14.87 N -ATOM 181 CA ILE A 24 -11.922 28.993 37.466 1.00 10.74 C -ATOM 182 C ILE A 24 -10.986 28.758 38.656 1.00 12.38 C -ATOM 183 O ILE A 24 -10.775 29.659 39.483 1.00 13.44 O -ATOM 184 CB ILE A 24 -13.191 29.813 37.840 1.00 13.14 C -ATOM 185 CG1 ILE A 24 -14.215 28.952 38.626 1.00 6.63 C -ATOM 186 CG2 ILE A 24 -13.841 30.307 36.542 1.00 12.80 C -ATOM 187 CD1 ILE A 24 -13.811 28.604 40.086 1.00 2.81 C -ATOM 188 N SER A 25 -10.427 27.546 38.727 1.00 11.49 N -ATOM 189 CA SER A 25 -9.492 27.156 39.790 1.00 15.12 C -ATOM 190 C SER A 25 -8.010 27.110 39.327 1.00 14.28 C -ATOM 191 O SER A 25 -7.709 26.885 38.159 1.00 13.70 O -ATOM 192 CB SER A 25 -9.875 25.781 40.360 1.00 12.25 C -ATOM 193 OG SER A 25 -11.225 25.743 40.795 1.00 18.74 O -ATOM 194 N CYS A 26 -7.093 27.347 40.253 1.00 15.10 N -ATOM 195 CA CYS A 26 -5.668 27.287 39.953 1.00 17.94 C -ATOM 196 C CYS A 26 -5.309 25.814 39.806 1.00 18.73 C -ATOM 197 O CYS A 26 -5.532 25.030 40.716 1.00 18.49 O -ATOM 198 CB CYS A 26 -4.859 27.914 41.096 1.00 16.32 C -ATOM 199 SG CYS A 26 -3.126 27.486 41.043 1.00 17.54 S -ATOM 200 N GLN A 27 -4.737 25.436 38.667 1.00 26.19 N -ATOM 201 CA GLN A 27 -4.403 24.027 38.423 1.00 26.18 C -ATOM 202 C GLN A 27 -3.303 23.405 39.287 1.00 25.49 C -ATOM 203 O GLN A 27 -3.081 22.195 39.229 1.00 26.55 O -ATOM 204 CB GLN A 27 -4.185 23.765 36.933 1.00 26.70 C -ATOM 205 CG GLN A 27 -5.431 24.019 36.077 1.00 29.57 C -ATOM 206 CD GLN A 27 -6.675 23.351 36.634 1.00 29.07 C -ATOM 207 OE1 GLN A 27 -6.839 22.140 36.542 1.00 35.32 O -ATOM 208 NE2 GLN A 27 -7.567 24.144 37.198 1.00 30.79 N -ATOM 209 N ILE A 28 -2.654 24.237 40.103 1.00 23.88 N -ATOM 210 CA ILE A 28 -1.632 23.791 41.058 1.00 19.87 C -ATOM 211 C ILE A 28 -2.243 23.732 42.472 1.00 16.76 C -ATOM 212 O ILE A 28 -2.452 22.670 43.009 1.00 16.39 O -ATOM 213 CB ILE A 28 -0.415 24.741 41.079 1.00 18.25 C -ATOM 214 CG1 ILE A 28 0.430 24.512 39.825 1.00 18.88 C -ATOM 215 CG2 ILE A 28 0.442 24.510 42.329 1.00 20.96 C -ATOM 216 CD1 ILE A 28 1.497 25.571 39.599 1.00 20.30 C -ATOM 217 N CYS A 29 -2.602 24.882 43.023 1.00 19.20 N -ATOM 218 CA CYS A 29 -3.154 24.959 44.361 1.00 19.74 C -ATOM 219 C CYS A 29 -4.640 24.635 44.509 1.00 22.70 C -ATOM 220 O CYS A 29 -5.101 24.404 45.626 1.00 28.44 O -ATOM 221 CB CYS A 29 -2.827 26.328 44.994 1.00 20.14 C -ATOM 222 SG CYS A 29 -3.813 27.775 44.505 1.00 19.27 S -ATOM 223 N GLU A 30 -5.389 24.619 43.407 1.00 22.26 N -ATOM 224 CA GLU A 30 -6.834 24.320 43.438 1.00 21.68 C -ATOM 225 C GLU A 30 -7.766 25.358 44.070 1.00 20.23 C -ATOM 226 O GLU A 30 -8.969 25.140 44.201 1.00 19.73 O -ATOM 227 CB GLU A 30 -7.091 22.952 44.058 1.00 21.41 C -ATOM 228 CG GLU A 30 -6.682 21.837 43.134 1.00 29.58 C -ATOM 229 CD GLU A 30 -6.939 20.474 43.707 1.00 34.94 C -ATOM 230 OE1 GLU A 30 -7.954 20.283 44.412 1.00 45.72 O -ATOM 231 OE2 GLU A 30 -6.125 19.581 43.439 1.00 37.75 O -ATOM 232 N HIS A 31 -7.225 26.494 44.470 1.00 18.27 N -ATOM 233 CA HIS A 31 -8.075 27.527 45.049 1.00 20.61 C -ATOM 234 C HIS A 31 -8.700 28.317 43.897 1.00 19.02 C -ATOM 235 O HIS A 31 -8.405 28.037 42.722 1.00 20.78 O -ATOM 236 CB HIS A 31 -7.222 28.460 45.911 1.00 17.40 C -ATOM 237 CG HIS A 31 -6.631 27.791 47.107 1.00 17.29 C -ATOM 238 ND1 HIS A 31 -5.281 27.815 47.337 1.00 21.35 N -ATOM 239 CD2 HIS A 31 -7.263 27.225 48.160 1.00 16.10 C -ATOM 240 CE1 HIS A 31 -5.124 27.271 48.530 1.00 20.56 C -ATOM 241 NE2 HIS A 31 -6.298 26.900 49.064 1.00 15.53 N -ATOM 242 N ILE A 32 -9.596 29.254 44.214 1.00 13.80 N -ATOM 243 CA ILE A 32 -10.150 30.108 43.160 1.00 16.38 C -ATOM 244 C ILE A 32 -8.932 30.925 42.662 1.00 19.63 C -ATOM 245 O ILE A 32 -8.165 31.474 43.477 1.00 16.35 O -ATOM 246 CB ILE A 32 -11.200 31.096 43.696 1.00 11.44 C -ATOM 247 CG1 ILE A 32 -12.365 30.336 44.321 1.00 16.73 C -ATOM 248 CG2 ILE A 32 -11.706 31.976 42.567 1.00 5.14 C -ATOM 249 CD1 ILE A 32 -13.426 31.240 44.939 1.00 17.57 C -ATOM 250 N LEU A 33 -8.707 30.958 41.352 1.00 18.06 N -ATOM 251 CA LEU A 33 -7.554 31.704 40.813 1.00 19.44 C -ATOM 252 C LEU A 33 -7.363 33.088 41.448 1.00 17.05 C -ATOM 253 O LEU A 33 -8.299 33.892 41.526 1.00 15.30 O -ATOM 254 CB LEU A 33 -7.692 31.895 39.293 1.00 22.36 C -ATOM 255 CG LEU A 33 -7.565 30.666 38.401 1.00 22.49 C -ATOM 256 CD1 LEU A 33 -8.308 30.888 37.094 1.00 21.72 C -ATOM 257 CD2 LEU A 33 -6.111 30.370 38.166 1.00 19.58 C -ATOM 258 N ALA A 34 -6.150 33.366 41.898 1.00 13.30 N -ATOM 259 CA ALA A 34 -5.869 34.673 42.479 1.00 18.80 C -ATOM 260 C ALA A 34 -4.801 35.234 41.573 1.00 15.86 C -ATOM 261 O ALA A 34 -3.718 34.671 41.507 1.00 24.18 O -ATOM 262 CB ALA A 34 -5.345 34.525 43.918 1.00 16.71 C -ATOM 263 N ASP A 35 -5.107 36.315 40.858 1.00 20.29 N -ATOM 264 CA ASP A 35 -4.176 36.951 39.896 1.00 20.17 C -ATOM 265 C ASP A 35 -3.783 35.914 38.870 1.00 20.39 C -ATOM 266 O ASP A 35 -2.612 35.524 38.779 1.00 22.70 O -ATOM 267 CB ASP A 35 -2.920 37.459 40.612 1.00 24.63 C -ATOM 268 CG ASP A 35 -2.094 38.407 39.756 1.00 27.49 C -ATOM 269 OD1 ASP A 35 -2.608 38.892 38.727 1.00 24.45 O -ATOM 270 OD2 ASP A 35 -0.929 38.673 40.125 1.00 31.17 O -ATOM 271 N PRO A 36 -4.756 35.443 38.066 1.00 21.38 N -ATOM 272 CA PRO A 36 -4.501 34.417 37.041 1.00 18.55 C -ATOM 273 C PRO A 36 -3.610 34.824 35.890 1.00 18.95 C -ATOM 274 O PRO A 36 -3.603 35.973 35.480 1.00 21.40 O -ATOM 275 CB PRO A 36 -5.909 34.104 36.537 1.00 17.66 C -ATOM 276 CG PRO A 36 -6.590 35.445 36.623 1.00 16.88 C -ATOM 277 CD PRO A 36 -6.151 35.919 37.993 1.00 15.70 C -ATOM 278 N VAL A 37 -2.799 33.882 35.428 1.00 20.68 N -ATOM 279 CA VAL A 37 -1.947 34.084 34.255 1.00 21.35 C -ATOM 280 C VAL A 37 -2.174 32.846 33.423 1.00 21.04 C -ATOM 281 O VAL A 37 -2.422 31.749 33.959 1.00 23.19 O -ATOM 282 CB VAL A 37 -0.429 34.214 34.557 1.00 19.61 C -ATOM 283 CG1 VAL A 37 -0.154 35.531 35.219 1.00 23.56 C -ATOM 284 CG2 VAL A 37 0.072 33.067 35.412 1.00 22.77 C -ATOM 285 N GLU A 38 -2.061 33.012 32.116 1.00 17.58 N -ATOM 286 CA GLU A 38 -2.278 31.936 31.175 1.00 19.30 C -ATOM 287 C GLU A 38 -0.993 31.538 30.455 1.00 21.62 C -ATOM 288 O GLU A 38 -0.243 32.397 29.950 1.00 21.10 O -ATOM 289 CB GLU A 38 -3.348 32.367 30.162 1.00 15.37 C -ATOM 290 CG GLU A 38 -3.742 31.313 29.158 1.00 18.15 C -ATOM 291 CD GLU A 38 -4.949 31.719 28.321 1.00 15.85 C -ATOM 292 OE1 GLU A 38 -5.532 32.772 28.570 1.00 18.33 O -ATOM 293 OE2 GLU A 38 -5.338 30.956 27.417 1.00 23.02 O -ATOM 294 N THR A 39 -0.738 30.232 30.447 1.00 21.55 N -ATOM 295 CA THR A 39 0.425 29.668 29.779 1.00 19.90 C -ATOM 296 C THR A 39 0.146 29.637 28.284 1.00 21.50 C -ATOM 297 O THR A 39 -1.011 29.753 27.864 1.00 22.45 O -ATOM 298 CB THR A 39 0.712 28.219 30.245 1.00 21.90 C -ATOM 299 OG1 THR A 39 -0.383 27.362 29.873 1.00 18.93 O -ATOM 300 CG2 THR A 39 0.930 28.171 31.739 1.00 15.63 C -ATOM 301 N SER A 40 1.197 29.461 27.483 1.00 22.60 N -ATOM 302 CA SER A 40 1.056 29.395 26.025 1.00 23.23 C -ATOM 303 C SER A 40 0.045 28.297 25.658 1.00 23.52 C -ATOM 304 O SER A 40 -0.776 28.461 24.735 1.00 22.19 O -ATOM 305 CB SER A 40 2.429 29.134 25.381 1.00 24.28 C -ATOM 306 OG SER A 40 3.332 30.202 25.673 1.00 24.23 O -ATOM 307 N CYS A 41 0.026 27.246 26.478 1.00 19.73 N -ATOM 308 CA CYS A 41 -0.877 26.124 26.283 1.00 19.74 C -ATOM 309 C CYS A 41 -2.305 26.333 26.836 1.00 19.27 C -ATOM 310 O CYS A 41 -3.059 25.371 26.992 1.00 20.45 O -ATOM 311 CB CYS A 41 -0.236 24.840 26.832 1.00 17.91 C -ATOM 312 SG CYS A 41 0.489 25.010 28.485 1.00 15.41 S -ATOM 313 N LYS A 42 -2.668 27.583 27.129 1.00 18.23 N -ATOM 314 CA LYS A 42 -4.013 27.943 27.604 1.00 17.75 C -ATOM 315 C LYS A 42 -4.465 27.380 28.951 1.00 19.11 C -ATOM 316 O LYS A 42 -5.652 27.147 29.174 1.00 19.36 O -ATOM 317 CB LYS A 42 -5.066 27.582 26.550 1.00 22.39 C -ATOM 318 CG LYS A 42 -4.740 28.021 25.128 1.00 22.74 C -ATOM 319 CD LYS A 42 -5.240 29.398 24.822 1.00 27.52 C -ATOM 320 CE LYS A 42 -5.046 29.691 23.354 1.00 37.80 C -ATOM 321 NZ LYS A 42 -5.657 28.613 22.476 1.00 42.21 N -ATOM 322 N HIS A 43 -3.526 27.142 29.845 1.00 18.89 N -ATOM 323 CA HIS A 43 -3.867 26.644 31.152 1.00 13.21 C -ATOM 324 C HIS A 43 -3.701 27.762 32.182 1.00 17.36 C -ATOM 325 O HIS A 43 -2.844 28.627 32.026 1.00 14.21 O -ATOM 326 CB HIS A 43 -2.986 25.448 31.452 1.00 16.40 C -ATOM 327 CG HIS A 43 -3.300 24.276 30.588 1.00 18.66 C -ATOM 328 ND1 HIS A 43 -2.338 23.677 29.815 1.00 24.24 N -ATOM 329 CD2 HIS A 43 -4.473 23.647 30.399 1.00 19.72 C -ATOM 330 CE1 HIS A 43 -2.954 22.695 29.192 1.00 24.75 C -ATOM 331 NE2 HIS A 43 -4.248 22.639 29.516 1.00 14.35 N -ATOM 332 N LEU A 44 -4.509 27.730 33.244 1.00 16.82 N -ATOM 333 CA LEU A 44 -4.480 28.773 34.273 1.00 18.28 C -ATOM 334 C LEU A 44 -3.873 28.426 35.644 1.00 16.73 C -ATOM 335 O LEU A 44 -4.034 27.313 36.138 1.00 19.42 O -ATOM 336 CB LEU A 44 -5.899 29.315 34.464 1.00 17.12 C -ATOM 337 CG LEU A 44 -6.576 29.847 33.192 1.00 18.55 C -ATOM 338 CD1 LEU A 44 -7.922 30.397 33.512 1.00 9.50 C -ATOM 339 CD2 LEU A 44 -5.723 30.922 32.535 1.00 13.63 C -ATOM 340 N PHE A 45 -3.162 29.387 36.234 1.00 15.07 N -ATOM 341 CA PHE A 45 -2.525 29.248 37.562 1.00 17.27 C -ATOM 342 C PHE A 45 -2.378 30.640 38.184 1.00 18.21 C -ATOM 343 O PHE A 45 -2.218 31.630 37.460 1.00 19.09 O -ATOM 344 CB PHE A 45 -1.101 28.671 37.473 1.00 16.69 C -ATOM 345 CG PHE A 45 -0.987 27.466 36.619 1.00 19.25 C -ATOM 346 CD1 PHE A 45 -0.770 27.593 35.253 1.00 18.52 C -ATOM 347 CD2 PHE A 45 -1.159 26.197 37.158 1.00 20.45 C -ATOM 348 CE1 PHE A 45 -0.727 26.472 34.419 1.00 16.38 C -ATOM 349 CE2 PHE A 45 -1.117 25.062 36.340 1.00 22.69 C -ATOM 350 CZ PHE A 45 -0.903 25.206 34.952 1.00 21.31 C -ATOM 351 N CYS A 46 -2.420 30.719 39.519 1.00 20.99 N -ATOM 352 CA CYS A 46 -2.234 32.000 40.216 1.00 20.09 C -ATOM 353 C CYS A 46 -0.801 32.391 39.860 1.00 20.75 C -ATOM 354 O CYS A 46 0.074 31.523 39.862 1.00 20.57 O -ATOM 355 CB CYS A 46 -2.278 31.828 41.747 1.00 19.21 C -ATOM 356 SG CYS A 46 -3.595 30.806 42.489 1.00 20.10 S -ATOM 357 N ARG A 47 -0.551 33.668 39.561 1.00 25.00 N -ATOM 358 CA ARG A 47 0.812 34.143 39.234 1.00 26.48 C -ATOM 359 C ARG A 47 1.910 33.579 40.156 1.00 24.57 C -ATOM 360 O ARG A 47 2.965 33.198 39.675 1.00 26.66 O -ATOM 361 CB ARG A 47 0.871 35.681 39.268 1.00 32.22 C -ATOM 362 CG ARG A 47 2.275 36.312 39.243 1.00 31.34 C -ATOM 363 CD ARG A 47 2.805 36.600 37.833 1.00 36.45 C -ATOM 364 NE ARG A 47 1.882 37.366 36.992 1.00 31.64 N -ATOM 365 CZ ARG A 47 1.200 38.432 37.393 1.00 34.62 C -ATOM 366 NH1 ARG A 47 1.337 38.882 38.631 1.00 36.38 N -ATOM 367 NH2 ARG A 47 0.317 39.011 36.581 1.00 33.76 N -ATOM 368 N ILE A 48 1.672 33.497 41.465 1.00 23.36 N -ATOM 369 CA ILE A 48 2.707 32.978 42.343 1.00 27.21 C -ATOM 370 C ILE A 48 2.853 31.474 42.300 1.00 28.50 C -ATOM 371 O ILE A 48 3.955 30.951 42.464 1.00 34.52 O -ATOM 372 CB ILE A 48 2.545 33.394 43.843 1.00 25.77 C -ATOM 373 CG1 ILE A 48 1.299 32.745 44.452 1.00 31.60 C -ATOM 374 CG2 ILE A 48 2.516 34.911 43.976 1.00 24.35 C -ATOM 375 CD1 ILE A 48 1.133 32.982 45.962 1.00 33.13 C -ATOM 376 N CYS A 49 1.760 30.761 42.077 1.00 26.91 N -ATOM 377 CA CYS A 49 1.864 29.304 42.086 1.00 25.29 C -ATOM 378 C CYS A 49 2.685 28.775 40.920 1.00 26.44 C -ATOM 379 O CYS A 49 3.556 27.914 41.101 1.00 25.67 O -ATOM 380 CB CYS A 49 0.481 28.658 42.119 1.00 21.26 C -ATOM 381 SG CYS A 49 -0.464 29.078 43.620 1.00 18.47 S -ATOM 382 N ILE A 50 2.449 29.347 39.745 1.00 24.93 N -ATOM 383 CA ILE A 50 3.146 28.909 38.546 1.00 27.53 C -ATOM 384 C ILE A 50 4.648 29.267 38.550 1.00 28.72 C -ATOM 385 O ILE A 50 5.490 28.405 38.303 1.00 26.01 O -ATOM 386 CB ILE A 50 2.414 29.388 37.263 1.00 18.69 C -ATOM 387 CG1 ILE A 50 3.073 28.773 36.027 1.00 20.46 C -ATOM 388 CG2 ILE A 50 2.332 30.908 37.214 1.00 13.36 C -ATOM 389 CD1 ILE A 50 3.114 27.249 36.053 1.00 18.09 C -ATOM 390 N LEU A 51 4.982 30.494 38.935 1.00 29.33 N -ATOM 391 CA LEU A 51 6.378 30.902 38.963 1.00 31.12 C -ATOM 392 C LEU A 51 7.209 30.029 39.902 1.00 35.28 C -ATOM 393 O LEU A 51 8.375 29.755 39.628 1.00 34.50 O -ATOM 394 CB LEU A 51 6.490 32.370 39.365 1.00 29.03 C -ATOM 395 CG LEU A 51 6.063 33.352 38.274 1.00 27.75 C -ATOM 396 CD1 LEU A 51 6.077 34.806 38.759 1.00 24.00 C -ATOM 397 CD2 LEU A 51 6.997 33.169 37.103 1.00 25.41 C -ATOM 398 N ARG A 52 6.620 29.575 41.001 1.00 35.46 N -ATOM 399 CA ARG A 52 7.388 28.749 41.910 1.00 38.24 C -ATOM 400 C ARG A 52 7.621 27.378 41.295 1.00 40.47 C -ATOM 401 O ARG A 52 8.706 26.821 41.419 1.00 42.43 O -ATOM 402 CB ARG A 52 6.704 28.649 43.278 1.00 40.03 C -ATOM 403 CG ARG A 52 7.410 27.747 44.310 1.00 46.22 C -ATOM 404 CD ARG A 52 6.950 26.280 44.246 1.00 52.98 C -ATOM 405 NE ARG A 52 5.490 26.185 44.132 1.00 62.84 N -ATOM 406 CZ ARG A 52 4.802 25.057 43.927 1.00 65.56 C -ATOM 407 NH1 ARG A 52 5.422 23.885 43.825 1.00 67.12 N -ATOM 408 NH2 ARG A 52 3.487 25.113 43.742 1.00 67.46 N -ATOM 409 N CYS A 53 6.612 26.845 40.612 1.00 42.51 N -ATOM 410 CA CYS A 53 6.720 25.521 39.990 1.00 43.46 C -ATOM 411 C CYS A 53 7.727 25.509 38.865 1.00 41.90 C -ATOM 412 O CYS A 53 8.365 24.492 38.611 1.00 40.70 O -ATOM 413 CB CYS A 53 5.369 25.049 39.447 1.00 45.61 C -ATOM 414 SG CYS A 53 4.390 24.099 40.606 1.00 51.97 S -ATOM 415 N LEU A 54 7.834 26.637 38.171 1.00 42.28 N -ATOM 416 CA LEU A 54 8.768 26.768 37.063 1.00 44.14 C -ATOM 417 C LEU A 54 10.180 26.792 37.616 1.00 45.97 C -ATOM 418 O LEU A 54 11.114 26.286 36.988 1.00 48.06 O -ATOM 419 CB LEU A 54 8.481 28.037 36.271 1.00 41.72 C -ATOM 420 CG LEU A 54 7.132 28.019 35.550 1.00 40.32 C -ATOM 421 CD1 LEU A 54 6.949 29.337 34.831 1.00 42.40 C -ATOM 422 CD2 LEU A 54 7.045 26.838 34.571 1.00 37.85 C -ATOM 423 N LYS A 55 10.319 27.340 38.818 1.00 45.56 N -ATOM 424 CA LYS A 55 11.620 27.400 39.451 1.00 46.97 C -ATOM 425 C LYS A 55 11.981 26.033 40.055 1.00 45.18 C -ATOM 426 O LYS A 55 12.724 25.260 39.464 1.00 45.07 O -ATOM 427 CB LYS A 55 11.661 28.514 40.503 1.00 47.69 C -ATOM 428 CG LYS A 55 13.052 29.102 40.704 1.00 54.48 C -ATOM 429 CD LYS A 55 13.088 30.253 41.729 1.00 61.19 C -ATOM 430 CE LYS A 55 12.716 29.778 43.134 1.00 63.86 C -ATOM 431 NZ LYS A 55 13.556 28.629 43.610 1.00 64.75 N -ATOM 432 N VAL A 56 11.334 25.674 41.151 1.00 43.22 N -ATOM 433 CA VAL A 56 11.646 24.424 41.825 1.00 42.41 C -ATOM 434 C VAL A 56 11.429 23.117 41.080 1.00 41.23 C -ATOM 435 O VAL A 56 12.112 22.142 41.367 1.00 42.68 O -ATOM 436 CB VAL A 56 10.935 24.340 43.187 1.00 42.40 C -ATOM 437 CG1 VAL A 56 11.198 25.617 43.988 1.00 40.43 C -ATOM 438 CG2 VAL A 56 9.438 24.120 42.993 1.00 45.35 C -ATOM 439 N MET A 57 10.520 23.091 40.111 1.00 42.94 N -ATOM 440 CA MET A 57 10.228 21.849 39.384 1.00 45.44 C -ATOM 441 C MET A 57 10.748 21.717 37.956 1.00 44.98 C -ATOM 442 O MET A 57 11.046 20.610 37.500 1.00 46.05 O -ATOM 443 CB MET A 57 8.722 21.574 39.384 1.00 49.11 C -ATOM 444 CG MET A 57 8.174 21.034 40.693 1.00 53.61 C -ATOM 445 SD MET A 57 8.768 19.363 41.034 1.00 56.35 S -ATOM 446 CE MET A 57 7.861 18.391 39.774 1.00 56.87 C -ATOM 447 N GLY A 58 10.829 22.827 37.236 1.00 41.32 N -ATOM 448 CA GLY A 58 11.302 22.749 35.873 1.00 37.27 C -ATOM 449 C GLY A 58 10.476 23.635 34.975 1.00 36.38 C -ATOM 450 O GLY A 58 9.436 24.162 35.383 1.00 36.50 O -ATOM 451 N SER A 59 10.941 23.798 33.744 1.00 33.03 N -ATOM 452 CA SER A 59 10.250 24.636 32.792 1.00 32.83 C -ATOM 453 C SER A 59 9.283 23.853 31.914 1.00 32.98 C -ATOM 454 O SER A 59 9.468 23.725 30.698 1.00 31.09 O -ATOM 455 CB SER A 59 11.253 25.462 31.994 1.00 30.71 C -ATOM 456 OG SER A 59 11.904 26.364 32.879 1.00 28.18 O -ATOM 457 N TYR A 60 8.248 23.336 32.578 1.00 31.06 N -ATOM 458 CA TYR A 60 7.176 22.566 31.961 1.00 29.69 C -ATOM 459 C TYR A 60 5.845 22.846 32.658 1.00 26.56 C -ATOM 460 O TYR A 60 5.809 23.033 33.879 1.00 20.68 O -ATOM 461 CB TYR A 60 7.493 21.090 32.062 1.00 32.15 C -ATOM 462 CG TYR A 60 8.667 20.698 31.232 1.00 33.88 C -ATOM 463 CD1 TYR A 60 8.619 20.778 29.838 1.00 34.07 C -ATOM 464 CD2 TYR A 60 9.831 20.252 31.834 1.00 38.07 C -ATOM 465 CE1 TYR A 60 9.714 20.423 29.065 1.00 37.45 C -ATOM 466 CE2 TYR A 60 10.939 19.890 31.072 1.00 40.57 C -ATOM 467 CZ TYR A 60 10.870 19.975 29.698 1.00 39.48 C -ATOM 468 OH TYR A 60 11.974 19.622 28.974 1.00 42.02 O -ATOM 469 N CYS A 61 4.757 22.863 31.888 1.00 24.79 N -ATOM 470 CA CYS A 61 3.415 23.127 32.424 1.00 19.81 C -ATOM 471 C CYS A 61 2.954 22.023 33.345 1.00 18.29 C -ATOM 472 O CYS A 61 2.933 20.854 32.963 1.00 16.57 O -ATOM 473 CB CYS A 61 2.391 23.257 31.294 1.00 22.52 C -ATOM 474 SG CYS A 61 0.687 23.464 31.869 1.00 23.48 S -ATOM 475 N PRO A 62 2.527 22.378 34.567 1.00 19.09 N -ATOM 476 CA PRO A 62 2.062 21.358 35.516 1.00 20.38 C -ATOM 477 C PRO A 62 0.873 20.540 34.967 1.00 21.58 C -ATOM 478 O PRO A 62 0.738 19.355 35.275 1.00 20.98 O -ATOM 479 CB PRO A 62 1.656 22.193 36.731 1.00 21.11 C -ATOM 480 CG PRO A 62 2.514 23.418 36.621 1.00 17.99 C -ATOM 481 CD PRO A 62 2.436 23.721 35.157 1.00 17.96 C -ATOM 482 N SER A 63 0.027 21.175 34.152 1.00 22.27 N -ATOM 483 CA SER A 63 -1.141 20.516 33.572 1.00 21.56 C -ATOM 484 C SER A 63 -0.806 19.559 32.443 1.00 25.34 C -ATOM 485 O SER A 63 -1.155 18.374 32.508 1.00 26.08 O -ATOM 486 CB SER A 63 -2.127 21.545 33.023 1.00 23.28 C -ATOM 487 OG SER A 63 -2.728 22.312 34.050 1.00 32.17 O -ATOM 488 N CYS A 64 -0.119 20.067 31.417 1.00 23.17 N -ATOM 489 CA CYS A 64 0.198 19.247 30.253 1.00 21.55 C -ATOM 490 C CYS A 64 1.647 18.865 29.990 1.00 23.11 C -ATOM 491 O CYS A 64 1.922 18.054 29.100 1.00 23.72 O -ATOM 492 CB CYS A 64 -0.413 19.873 29.002 1.00 18.17 C -ATOM 493 SG CYS A 64 0.238 21.456 28.576 1.00 18.62 S -ATOM 494 N ARG A 65 2.573 19.461 30.739 1.00 30.01 N -ATOM 495 CA ARG A 65 4.011 19.156 30.629 1.00 30.85 C -ATOM 496 C ARG A 65 4.692 19.692 29.386 1.00 30.50 C -ATOM 497 O ARG A 65 5.755 19.207 28.994 1.00 31.90 O -ATOM 498 CB ARG A 65 4.258 17.642 30.719 1.00 36.38 C -ATOM 499 CG ARG A 65 3.897 16.982 32.063 1.00 47.96 C -ATOM 500 CD ARG A 65 3.757 15.461 31.907 1.00 51.59 C -ATOM 501 NE ARG A 65 2.562 15.120 31.127 1.00 59.29 N -ATOM 502 CZ ARG A 65 2.557 14.467 29.955 1.00 63.49 C -ATOM 503 NH1 ARG A 65 3.694 14.053 29.384 1.00 64.67 N -ATOM 504 NH2 ARG A 65 1.402 14.250 29.333 1.00 61.69 N -ATOM 505 N TYR A 66 4.074 20.678 28.753 1.00 31.64 N -ATOM 506 CA TYR A 66 4.632 21.292 27.540 1.00 33.68 C -ATOM 507 C TYR A 66 5.565 22.408 28.043 1.00 29.63 C -ATOM 508 O TYR A 66 5.255 23.074 29.033 1.00 26.36 O -ATOM 509 CB TYR A 66 3.476 21.856 26.692 1.00 39.50 C -ATOM 510 CG TYR A 66 3.750 22.073 25.217 1.00 47.68 C -ATOM 511 CD1 TYR A 66 4.034 20.999 24.375 1.00 51.09 C -ATOM 512 CD2 TYR A 66 3.678 23.360 24.654 1.00 51.26 C -ATOM 513 CE1 TYR A 66 4.248 21.193 23.005 1.00 57.55 C -ATOM 514 CE2 TYR A 66 3.890 23.573 23.291 1.00 54.50 C -ATOM 515 CZ TYR A 66 4.174 22.483 22.462 1.00 58.41 C -ATOM 516 OH TYR A 66 4.402 22.674 21.104 1.00 55.67 O -ATOM 517 N PRO A 67 6.738 22.590 27.402 1.00 29.14 N -ATOM 518 CA PRO A 67 7.694 23.631 27.818 1.00 27.79 C -ATOM 519 C PRO A 67 6.998 24.942 28.202 1.00 26.09 C -ATOM 520 O PRO A 67 6.162 25.442 27.459 1.00 26.65 O -ATOM 521 CB PRO A 67 8.585 23.773 26.595 1.00 24.48 C -ATOM 522 CG PRO A 67 8.628 22.357 26.083 1.00 25.99 C -ATOM 523 CD PRO A 67 7.196 21.919 26.169 1.00 27.18 C -ATOM 524 N CYS A 68 7.342 25.469 29.376 1.00 26.58 N -ATOM 525 CA CYS A 68 6.721 26.673 29.903 1.00 27.32 C -ATOM 526 C CYS A 68 7.699 27.637 30.580 1.00 26.69 C -ATOM 527 O CYS A 68 8.406 27.266 31.507 1.00 27.41 O -ATOM 528 CB CYS A 68 5.629 26.252 30.898 1.00 27.44 C -ATOM 529 SG CYS A 68 4.600 27.590 31.523 1.00 30.87 S -ATOM 530 N PHE A 69 7.683 28.899 30.161 1.00 28.36 N -ATOM 531 CA PHE A 69 8.584 29.892 30.728 1.00 30.91 C -ATOM 532 C PHE A 69 7.874 31.103 31.300 1.00 31.05 C -ATOM 533 O PHE A 69 6.831 31.508 30.788 1.00 35.31 O -ATOM 534 CB PHE A 69 9.583 30.351 29.655 1.00 33.04 C -ATOM 535 CG PHE A 69 10.480 29.247 29.176 1.00 32.64 C -ATOM 536 CD1 PHE A 69 10.061 28.389 28.172 1.00 30.17 C -ATOM 537 CD2 PHE A 69 11.703 29.014 29.795 1.00 29.83 C -ATOM 538 CE1 PHE A 69 10.831 27.283 27.805 1.00 34.59 C -ATOM 539 CE2 PHE A 69 12.472 27.925 29.441 1.00 36.06 C -ATOM 540 CZ PHE A 69 12.036 27.054 28.434 1.00 36.15 C -ATOM 541 N PRO A 70 8.429 31.702 32.371 1.00 28.82 N -ATOM 542 CA PRO A 70 7.874 32.887 33.040 1.00 30.13 C -ATOM 543 C PRO A 70 7.525 33.986 32.061 1.00 31.50 C -ATOM 544 O PRO A 70 6.501 34.659 32.193 1.00 32.13 O -ATOM 545 CB PRO A 70 9.007 33.312 33.954 1.00 28.28 C -ATOM 546 CG PRO A 70 9.490 31.975 34.446 1.00 29.68 C -ATOM 547 CD PRO A 70 9.545 31.146 33.158 1.00 27.98 C -ATOM 548 N THR A 71 8.351 34.092 31.031 1.00 31.78 N -ATOM 549 CA THR A 71 8.182 35.082 29.990 1.00 29.38 C -ATOM 550 C THR A 71 6.962 34.818 29.084 1.00 29.03 C -ATOM 551 O THR A 71 6.535 35.689 28.329 1.00 24.30 O -ATOM 552 CB THR A 71 9.488 35.185 29.176 1.00 32.95 C -ATOM 553 OG1 THR A 71 9.343 36.178 28.161 1.00 35.00 O -ATOM 554 CG2 THR A 71 9.880 33.825 28.570 1.00 32.44 C -ATOM 555 N ASP A 72 6.377 33.633 29.194 1.00 27.13 N -ATOM 556 CA ASP A 72 5.204 33.272 28.397 1.00 29.51 C -ATOM 557 C ASP A 72 3.895 33.623 29.116 1.00 30.93 C -ATOM 558 O ASP A 72 2.799 33.605 28.510 1.00 27.24 O -ATOM 559 CB ASP A 72 5.181 31.761 28.170 1.00 30.27 C -ATOM 560 CG ASP A 72 6.048 31.324 27.035 1.00 31.16 C -ATOM 561 OD1 ASP A 72 5.968 31.966 25.961 1.00 30.94 O -ATOM 562 OD2 ASP A 72 6.763 30.308 27.217 1.00 33.99 O -ATOM 563 N LEU A 73 4.013 33.924 30.410 1.00 28.23 N -ATOM 564 CA LEU A 73 2.840 34.183 31.238 1.00 28.33 C -ATOM 565 C LEU A 73 2.066 35.456 30.984 1.00 26.64 C -ATOM 566 O LEU A 73 2.527 36.544 31.310 1.00 26.81 O -ATOM 567 CB LEU A 73 3.199 34.026 32.718 1.00 28.42 C -ATOM 568 CG LEU A 73 3.190 32.590 33.287 1.00 30.31 C -ATOM 569 CD1 LEU A 73 2.988 31.528 32.231 1.00 27.78 C -ATOM 570 CD2 LEU A 73 4.463 32.319 34.059 1.00 26.76 C -ATOM 571 N GLU A 74 0.894 35.309 30.379 1.00 21.92 N -ATOM 572 CA GLU A 74 0.051 36.448 30.083 1.00 22.24 C -ATOM 573 C GLU A 74 -1.174 36.486 30.958 1.00 22.35 C -ATOM 574 O GLU A 74 -1.367 35.635 31.819 1.00 24.58 O -ATOM 575 CB GLU A 74 -0.396 36.406 28.628 1.00 25.65 C -ATOM 576 CG GLU A 74 0.666 36.860 27.607 1.00 37.15 C -ATOM 577 CD GLU A 74 1.175 38.281 27.847 1.00 39.70 C -ATOM 578 OE1 GLU A 74 0.350 39.240 27.863 1.00 46.86 O -ATOM 579 OE2 GLU A 74 2.405 38.431 28.029 1.00 35.23 O -ATOM 580 N SER A 75 -2.002 37.495 30.745 1.00 22.82 N -ATOM 581 CA SER A 75 -3.233 37.615 31.496 1.00 22.14 C -ATOM 582 C SER A 75 -4.354 36.958 30.684 1.00 22.64 C -ATOM 583 O SER A 75 -4.324 36.979 29.457 1.00 18.26 O -ATOM 584 CB SER A 75 -3.552 39.086 31.711 1.00 25.12 C -ATOM 585 OG SER A 75 -4.810 39.222 32.332 1.00 28.16 O -ATOM 586 N PRO A 76 -5.310 36.289 31.352 1.00 20.62 N -ATOM 587 CA PRO A 76 -6.406 35.658 30.608 1.00 17.77 C -ATOM 588 C PRO A 76 -7.182 36.754 29.867 1.00 16.67 C -ATOM 589 O PRO A 76 -7.212 37.919 30.302 1.00 13.29 O -ATOM 590 CB PRO A 76 -7.286 35.076 31.723 1.00 12.83 C -ATOM 591 CG PRO A 76 -6.326 34.787 32.796 1.00 14.49 C -ATOM 592 CD PRO A 76 -5.413 35.977 32.790 1.00 19.31 C -ATOM 593 N VAL A 77 -7.845 36.360 28.788 1.00 11.34 N -ATOM 594 CA VAL A 77 -8.646 37.263 27.983 1.00 14.67 C -ATOM 595 C VAL A 77 -9.620 38.019 28.914 1.00 18.65 C -ATOM 596 O VAL A 77 -9.973 37.527 29.983 1.00 20.56 O -ATOM 597 CB VAL A 77 -9.365 36.434 26.903 1.00 14.65 C -ATOM 598 CG1 VAL A 77 -10.682 35.903 27.415 1.00 14.96 C -ATOM 599 CG2 VAL A 77 -9.489 37.195 25.607 1.00 21.32 C -ATOM 600 N LYS A 78 -10.077 39.193 28.496 1.00 24.24 N -ATOM 601 CA LYS A 78 -10.962 40.016 29.327 1.00 23.92 C -ATOM 602 C LYS A 78 -12.268 39.351 29.750 1.00 24.57 C -ATOM 603 O LYS A 78 -12.639 39.402 30.930 1.00 24.17 O -ATOM 604 CB LYS A 78 -11.285 41.337 28.632 1.00 24.64 C -ATOM 605 CG LYS A 78 -12.169 42.242 29.483 1.00 30.36 C -ATOM 606 CD LYS A 78 -11.412 42.702 30.735 1.00 37.89 C -ATOM 607 CE LYS A 78 -12.271 43.555 31.677 1.00 41.89 C -ATOM 608 NZ LYS A 78 -13.073 44.626 30.986 1.00 47.12 N -ATOM 609 N SER A 79 -12.975 38.770 28.774 1.00 23.81 N -ATOM 610 CA SER A 79 -14.257 38.091 29.019 1.00 23.41 C -ATOM 611 C SER A 79 -14.163 36.994 30.051 1.00 22.05 C -ATOM 612 O SER A 79 -15.150 36.707 30.721 1.00 24.71 O -ATOM 613 CB SER A 79 -14.843 37.515 27.730 1.00 20.80 C -ATOM 614 OG SER A 79 -14.837 38.508 26.722 1.00 26.79 O -ATOM 615 N PHE A 80 -13.005 36.343 30.143 1.00 19.55 N -ATOM 616 CA PHE A 80 -12.838 35.299 31.150 1.00 19.16 C -ATOM 617 C PHE A 80 -12.671 35.984 32.486 1.00 19.28 C -ATOM 618 O PHE A 80 -13.284 35.595 33.476 1.00 21.01 O -ATOM 619 CB PHE A 80 -11.623 34.416 30.898 1.00 16.88 C -ATOM 620 CG PHE A 80 -11.433 33.383 31.961 1.00 16.44 C -ATOM 621 CD1 PHE A 80 -12.289 32.286 32.038 1.00 16.88 C -ATOM 622 CD2 PHE A 80 -10.486 33.556 32.956 1.00 12.56 C -ATOM 623 CE1 PHE A 80 -12.197 31.381 33.107 1.00 14.74 C -ATOM 624 CE2 PHE A 80 -10.389 32.660 34.027 1.00 13.31 C -ATOM 625 CZ PHE A 80 -11.242 31.579 34.102 1.00 9.67 C -ATOM 626 N LEU A 81 -11.831 37.012 32.516 1.00 21.19 N -ATOM 627 CA LEU A 81 -11.635 37.761 33.751 1.00 19.00 C -ATOM 628 C LEU A 81 -12.958 38.285 34.296 1.00 21.01 C -ATOM 629 O LEU A 81 -13.148 38.335 35.509 1.00 18.13 O -ATOM 630 CB LEU A 81 -10.693 38.939 33.544 1.00 16.56 C -ATOM 631 CG LEU A 81 -9.248 38.578 33.258 1.00 17.38 C -ATOM 632 CD1 LEU A 81 -8.472 39.866 33.284 1.00 18.20 C -ATOM 633 CD2 LEU A 81 -8.699 37.572 34.302 1.00 17.60 C -ATOM 634 N ASN A 82 -13.865 38.679 33.403 1.00 19.94 N -ATOM 635 CA ASN A 82 -15.165 39.195 33.829 1.00 23.79 C -ATOM 636 C ASN A 82 -16.023 38.153 34.538 1.00 24.83 C -ATOM 637 O ASN A 82 -16.707 38.468 35.517 1.00 23.24 O -ATOM 638 CB ASN A 82 -15.940 39.745 32.638 1.00 27.35 C -ATOM 639 CG ASN A 82 -15.372 41.048 32.110 1.00 25.55 C -ATOM 640 OD1 ASN A 82 -15.799 41.531 31.062 1.00 26.78 O -ATOM 641 ND2 ASN A 82 -14.423 41.630 32.830 1.00 23.60 N -ATOM 642 N ILE A 83 -15.995 36.919 34.029 1.00 21.10 N -ATOM 643 CA ILE A 83 -16.761 35.813 34.604 1.00 17.83 C -ATOM 644 C ILE A 83 -16.198 35.447 35.995 1.00 19.80 C -ATOM 645 O ILE A 83 -16.929 35.305 36.991 1.00 18.49 O -ATOM 646 CB ILE A 83 -16.729 34.608 33.644 1.00 15.62 C -ATOM 647 CG1 ILE A 83 -17.561 34.937 32.385 1.00 15.00 C -ATOM 648 CG2 ILE A 83 -17.229 33.383 34.346 1.00 13.59 C -ATOM 649 CD1 ILE A 83 -17.307 34.050 31.151 1.00 5.23 C -ATOM 650 N LEU A 84 -14.877 35.380 36.060 1.00 21.12 N -ATOM 651 CA LEU A 84 -14.164 35.077 37.286 1.00 21.52 C -ATOM 652 C LEU A 84 -14.381 36.164 38.337 1.00 21.27 C -ATOM 653 O LEU A 84 -14.793 35.870 39.447 1.00 25.42 O -ATOM 654 CB LEU A 84 -12.672 34.964 36.984 1.00 18.68 C -ATOM 655 CG LEU A 84 -11.728 34.926 38.181 1.00 22.94 C -ATOM 656 CD1 LEU A 84 -11.756 33.524 38.812 1.00 16.13 C -ATOM 657 CD2 LEU A 84 -10.303 35.318 37.723 1.00 15.93 C -ATOM 658 N ASN A 85 -14.108 37.416 37.982 1.00 23.83 N -ATOM 659 CA ASN A 85 -14.250 38.539 38.921 1.00 25.37 C -ATOM 660 C ASN A 85 -15.672 38.786 39.443 1.00 26.61 C -ATOM 661 O ASN A 85 -15.857 39.519 40.429 1.00 25.78 O -ATOM 662 CB ASN A 85 -13.667 39.836 38.328 1.00 21.72 C -ATOM 663 CG ASN A 85 -12.143 39.869 38.367 1.00 17.00 C -ATOM 664 OD1 ASN A 85 -11.532 39.582 39.402 1.00 19.52 O -ATOM 665 ND2 ASN A 85 -11.520 40.230 37.241 1.00 18.15 N -ATOM 666 N SER A 86 -16.656 38.148 38.800 1.00 25.88 N -ATOM 667 CA SER A 86 -18.064 38.276 39.190 1.00 26.01 C -ATOM 668 C SER A 86 -18.624 37.152 40.054 1.00 24.39 C -ATOM 669 O SER A 86 -19.730 37.286 40.598 1.00 22.44 O -ATOM 670 CB SER A 86 -18.916 38.391 37.954 1.00 25.42 C -ATOM 671 OG SER A 86 -18.444 39.466 37.180 1.00 36.49 O -ATOM 672 N LEU A 87 -17.883 36.049 40.170 1.00 21.89 N -ATOM 673 CA LEU A 87 -18.350 34.901 40.965 1.00 25.13 C -ATOM 674 C LEU A 87 -18.838 35.333 42.363 1.00 25.74 C -ATOM 675 O LEU A 87 -18.181 36.122 43.048 1.00 29.50 O -ATOM 676 CB LEU A 87 -17.242 33.832 41.131 1.00 19.45 C -ATOM 677 CG LEU A 87 -16.568 33.150 39.944 1.00 20.31 C -ATOM 678 CD1 LEU A 87 -15.600 32.069 40.458 1.00 15.57 C -ATOM 679 CD2 LEU A 87 -17.610 32.532 39.021 1.00 22.11 C -ATOM 680 N MET A 88 -19.993 34.834 42.783 1.00 22.15 N -ATOM 681 CA MET A 88 -20.480 35.204 44.098 1.00 21.50 C -ATOM 682 C MET A 88 -19.891 34.249 45.158 1.00 23.27 C -ATOM 683 O MET A 88 -19.851 33.024 44.978 1.00 18.18 O -ATOM 684 CB MET A 88 -22.005 35.191 44.107 1.00 23.56 C -ATOM 685 CG MET A 88 -22.636 36.242 43.198 1.00 24.27 C -ATOM 686 SD MET A 88 -22.080 37.918 43.629 1.00 33.14 S -ATOM 687 CE MET A 88 -22.740 38.074 45.303 1.00 24.99 C -ATOM 688 N VAL A 89 -19.396 34.809 46.252 1.00 21.49 N -ATOM 689 CA VAL A 89 -18.819 33.983 47.296 1.00 24.33 C -ATOM 690 C VAL A 89 -19.399 34.279 48.686 1.00 23.95 C -ATOM 691 O VAL A 89 -19.720 35.425 49.007 1.00 22.93 O -ATOM 692 CB VAL A 89 -17.273 34.075 47.259 1.00 24.73 C -ATOM 693 CG1 VAL A 89 -16.849 35.422 46.670 1.00 29.09 C -ATOM 694 CG2 VAL A 89 -16.670 33.862 48.649 1.00 23.27 C -ATOM 695 N LYS A 90 -19.638 33.214 49.449 1.00 23.80 N -ATOM 696 CA LYS A 90 -20.172 33.309 50.794 1.00 22.73 C -ATOM 697 C LYS A 90 -19.071 33.594 51.806 1.00 23.20 C -ATOM 698 O LYS A 90 -18.237 32.727 52.113 1.00 23.38 O -ATOM 699 CB LYS A 90 -20.900 32.010 51.190 1.00 21.99 C -ATOM 700 CG LYS A 90 -22.244 31.784 50.482 1.00 29.52 C -ATOM 701 CD LYS A 90 -22.770 30.364 50.713 1.00 33.17 C -ATOM 702 CE LYS A 90 -21.729 29.329 50.271 1.00 33.76 C -ATOM 703 NZ LYS A 90 -22.174 27.932 50.458 1.00 32.52 N -ATOM 704 N CYS A 91 -19.100 34.802 52.359 1.00 23.19 N -ATOM 705 CA CYS A 91 -18.131 35.221 53.377 1.00 22.75 C -ATOM 706 C CYS A 91 -18.319 34.296 54.585 1.00 17.45 C -ATOM 707 O CYS A 91 -19.432 34.075 55.027 1.00 17.88 O -ATOM 708 CB CYS A 91 -18.382 36.683 53.761 1.00 21.78 C -ATOM 709 SG CYS A 91 -17.492 37.214 55.219 1.00 29.76 S -ATOM 710 N PRO A 92 -17.229 33.682 55.074 1.00 18.69 N -ATOM 711 CA PRO A 92 -17.215 32.753 56.213 1.00 17.31 C -ATOM 712 C PRO A 92 -17.010 33.400 57.599 1.00 18.54 C -ATOM 713 O PRO A 92 -16.866 32.720 58.621 1.00 16.19 O -ATOM 714 CB PRO A 92 -16.075 31.795 55.846 1.00 13.85 C -ATOM 715 CG PRO A 92 -15.060 32.742 55.241 1.00 13.62 C -ATOM 716 CD PRO A 92 -15.904 33.747 54.419 1.00 12.09 C -ATOM 717 N ALA A 93 -16.968 34.719 57.630 1.00 20.05 N -ATOM 718 CA ALA A 93 -16.811 35.404 58.904 1.00 26.05 C -ATOM 719 C ALA A 93 -18.029 35.046 59.767 1.00 28.10 C -ATOM 720 O ALA A 93 -19.160 35.103 59.289 1.00 25.99 O -ATOM 721 CB ALA A 93 -16.741 36.909 58.682 1.00 23.33 C -ATOM 722 N GLN A 94 -17.784 34.690 61.029 1.00 31.29 N -ATOM 723 CA GLN A 94 -18.825 34.306 61.991 1.00 34.99 C -ATOM 724 C GLN A 94 -20.075 35.194 61.999 1.00 35.18 C -ATOM 725 O GLN A 94 -19.973 36.407 62.148 1.00 36.82 O -ATOM 726 CB GLN A 94 -18.196 34.284 63.381 1.00 40.92 C -ATOM 727 CG GLN A 94 -19.080 33.814 64.514 1.00 48.43 C -ATOM 728 CD GLN A 94 -18.293 33.655 65.812 1.00 51.14 C -ATOM 729 OE1 GLN A 94 -17.446 34.494 66.151 1.00 52.09 O -ATOM 730 NE2 GLN A 94 -18.554 32.567 66.530 1.00 46.26 N -ATOM 731 N ASP A 95 -21.246 34.579 61.822 1.00 38.41 N -ATOM 732 CA ASP A 95 -22.538 35.281 61.807 1.00 41.86 C -ATOM 733 C ASP A 95 -22.837 36.207 60.637 1.00 43.09 C -ATOM 734 O ASP A 95 -23.920 36.801 60.560 1.00 43.18 O -ATOM 735 CB ASP A 95 -22.777 36.030 63.114 1.00 49.33 C -ATOM 736 CG ASP A 95 -23.367 35.140 64.180 1.00 55.18 C -ATOM 737 OD1 ASP A 95 -24.607 34.946 64.168 1.00 59.22 O -ATOM 738 OD2 ASP A 95 -22.594 34.617 65.013 1.00 59.45 O -ATOM 739 N CYS A 96 -21.861 36.380 59.754 1.00 43.30 N -ATOM 740 CA CYS A 96 -22.058 37.201 58.570 1.00 39.18 C -ATOM 741 C CYS A 96 -22.700 36.284 57.535 1.00 38.15 C -ATOM 742 O CYS A 96 -22.202 35.184 57.250 1.00 36.88 O -ATOM 743 CB CYS A 96 -20.729 37.728 58.041 1.00 37.17 C -ATOM 744 SG CYS A 96 -20.944 38.636 56.525 1.00 29.25 S -ATOM 745 N ASN A 97 -23.837 36.701 57.012 1.00 36.69 N -ATOM 746 CA ASN A 97 -24.509 35.871 56.028 1.00 41.55 C -ATOM 747 C ASN A 97 -24.614 36.670 54.755 1.00 39.87 C -ATOM 748 O ASN A 97 -25.688 36.842 54.161 1.00 39.81 O -ATOM 749 CB ASN A 97 -25.876 35.418 56.551 1.00 45.46 C -ATOM 750 CG ASN A 97 -25.758 34.518 57.784 1.00 50.18 C -ATOM 751 OD1 ASN A 97 -25.540 33.310 57.670 1.00 49.29 O -ATOM 752 ND2 ASN A 97 -25.873 35.118 58.971 1.00 56.91 N -ATOM 753 N GLU A 98 -23.454 37.139 54.334 1.00 37.52 N -ATOM 754 CA GLU A 98 -23.354 37.965 53.157 1.00 36.78 C -ATOM 755 C GLU A 98 -22.602 37.276 52.040 1.00 31.54 C -ATOM 756 O GLU A 98 -21.647 36.531 52.263 1.00 30.48 O -ATOM 757 CB GLU A 98 -22.680 39.290 53.527 1.00 41.62 C -ATOM 758 CG GLU A 98 -23.611 40.484 53.610 1.00 44.57 C -ATOM 759 CD GLU A 98 -23.351 41.455 52.475 1.00 51.60 C -ATOM 760 OE1 GLU A 98 -23.742 41.151 51.326 1.00 55.54 O -ATOM 761 OE2 GLU A 98 -22.722 42.507 52.717 1.00 54.82 O -ATOM 762 N GLU A 99 -23.078 37.516 50.833 1.00 27.11 N -ATOM 763 CA GLU A 99 -22.485 36.970 49.639 1.00 24.01 C -ATOM 764 C GLU A 99 -22.030 38.172 48.813 1.00 24.61 C -ATOM 765 O GLU A 99 -22.768 39.137 48.680 1.00 26.26 O -ATOM 766 CB GLU A 99 -23.533 36.132 48.890 1.00 17.37 C -ATOM 767 CG GLU A 99 -24.190 35.077 49.793 1.00 21.60 C -ATOM 768 CD GLU A 99 -24.978 33.992 49.044 1.00 26.22 C -ATOM 769 OE1 GLU A 99 -25.274 34.161 47.837 1.00 32.80 O -ATOM 770 OE2 GLU A 99 -25.310 32.957 49.669 1.00 25.37 O -ATOM 771 N VAL A 100 -20.800 38.142 48.306 1.00 23.33 N -ATOM 772 CA VAL A 100 -20.281 39.242 47.494 1.00 22.73 C -ATOM 773 C VAL A 100 -19.445 38.706 46.317 1.00 23.67 C -ATOM 774 O VAL A 100 -18.942 37.574 46.357 1.00 23.12 O -ATOM 775 CB VAL A 100 -19.374 40.194 48.322 1.00 24.46 C -ATOM 776 CG1 VAL A 100 -20.163 40.899 49.401 1.00 23.70 C -ATOM 777 CG2 VAL A 100 -18.219 39.415 48.935 1.00 26.22 C -ATOM 778 N SER A 101 -19.259 39.546 45.300 1.00 23.21 N -ATOM 779 CA SER A 101 -18.489 39.179 44.121 1.00 22.66 C -ATOM 780 C SER A 101 -17.016 39.086 44.484 1.00 24.59 C -ATOM 781 O SER A 101 -16.565 39.724 45.435 1.00 25.14 O -ATOM 782 CB SER A 101 -18.669 40.207 43.020 1.00 22.12 C -ATOM 783 OG SER A 101 -17.914 41.355 43.305 1.00 22.63 O -ATOM 784 N LEU A 102 -16.275 38.312 43.700 1.00 23.34 N -ATOM 785 CA LEU A 102 -14.858 38.096 43.922 1.00 21.08 C -ATOM 786 C LEU A 102 -14.069 39.393 43.949 1.00 24.68 C -ATOM 787 O LEU A 102 -13.154 39.543 44.759 1.00 28.23 O -ATOM 788 CB LEU A 102 -14.289 37.194 42.836 1.00 16.36 C -ATOM 789 CG LEU A 102 -12.902 36.672 43.200 1.00 18.20 C -ATOM 790 CD1 LEU A 102 -13.047 35.750 44.410 1.00 15.32 C -ATOM 791 CD2 LEU A 102 -12.268 35.936 42.020 1.00 15.92 C -ATOM 792 N GLU A 103 -14.419 40.338 43.081 1.00 25.44 N -ATOM 793 CA GLU A 103 -13.703 41.614 43.038 1.00 28.39 C -ATOM 794 C GLU A 103 -14.046 42.516 44.218 1.00 28.88 C -ATOM 795 O GLU A 103 -13.235 43.334 44.634 1.00 30.22 O -ATOM 796 CB GLU A 103 -13.958 42.333 41.719 1.00 31.94 C -ATOM 797 CG GLU A 103 -15.415 42.633 41.448 1.00 35.60 C -ATOM 798 CD GLU A 103 -15.699 43.075 40.011 1.00 37.94 C -ATOM 799 OE1 GLU A 103 -14.758 43.181 39.172 1.00 34.14 O -ATOM 800 OE2 GLU A 103 -16.895 43.308 39.722 1.00 41.34 O -ATOM 801 N LYS A 104 -15.233 42.338 44.791 1.00 27.92 N -ATOM 802 CA LYS A 104 -15.624 43.142 45.943 1.00 28.65 C -ATOM 803 C LYS A 104 -15.330 42.450 47.276 1.00 26.34 C -ATOM 804 O LYS A 104 -15.541 43.025 48.338 1.00 25.96 O -ATOM 805 CB LYS A 104 -17.105 43.527 45.861 1.00 31.82 C -ATOM 806 CG LYS A 104 -17.384 44.676 44.881 1.00 42.42 C -ATOM 807 CD LYS A 104 -18.830 45.218 44.956 1.00 48.19 C -ATOM 808 CE LYS A 104 -19.234 45.698 46.381 1.00 55.05 C -ATOM 809 NZ LYS A 104 -18.388 46.794 46.985 1.00 51.48 N -ATOM 810 N TYR A 105 -14.758 41.255 47.219 1.00 22.52 N -ATOM 811 CA TYR A 105 -14.477 40.512 48.425 1.00 24.17 C -ATOM 812 C TYR A 105 -13.489 41.144 49.389 1.00 26.48 C -ATOM 813 O TYR A 105 -13.821 41.340 50.545 1.00 28.78 O -ATOM 814 CB TYR A 105 -14.056 39.101 48.086 1.00 22.59 C -ATOM 815 CG TYR A 105 -13.988 38.200 49.287 1.00 21.82 C -ATOM 816 CD1 TYR A 105 -15.138 37.621 49.819 1.00 20.81 C -ATOM 817 CD2 TYR A 105 -12.764 37.877 49.856 1.00 19.26 C -ATOM 818 CE1 TYR A 105 -15.060 36.737 50.890 1.00 22.58 C -ATOM 819 CE2 TYR A 105 -12.675 37.000 50.916 1.00 18.53 C -ATOM 820 CZ TYR A 105 -13.814 36.429 51.431 1.00 21.12 C -ATOM 821 OH TYR A 105 -13.682 35.548 52.489 1.00 21.01 O -ATOM 822 N ASN A 106 -12.277 41.449 48.946 1.00 29.75 N -ATOM 823 CA ASN A 106 -11.302 42.070 49.844 1.00 34.70 C -ATOM 824 C ASN A 106 -11.812 43.329 50.530 1.00 37.34 C -ATOM 825 O ASN A 106 -11.424 43.633 51.654 1.00 38.52 O -ATOM 826 CB ASN A 106 -10.027 42.392 49.097 1.00 35.62 C -ATOM 827 CG ASN A 106 -9.322 41.156 48.637 1.00 39.60 C -ATOM 828 OD1 ASN A 106 -9.894 40.065 48.650 1.00 40.86 O -ATOM 829 ND2 ASN A 106 -8.063 41.302 48.250 1.00 42.02 N -ATOM 830 N HIS A 107 -12.666 44.074 49.844 1.00 38.96 N -ATOM 831 CA HIS A 107 -13.219 45.280 50.416 1.00 36.98 C -ATOM 832 C HIS A 107 -14.216 44.923 51.498 1.00 35.40 C -ATOM 833 O HIS A 107 -14.320 45.628 52.508 1.00 33.78 O -ATOM 834 CB HIS A 107 -13.907 46.130 49.352 1.00 41.59 C -ATOM 835 CG HIS A 107 -14.588 47.335 49.916 1.00 45.33 C -ATOM 836 ND1 HIS A 107 -13.890 48.384 50.490 1.00 45.00 N -ATOM 837 CD2 HIS A 107 -15.899 47.637 50.069 1.00 45.18 C -ATOM 838 CE1 HIS A 107 -14.740 49.267 50.967 1.00 46.58 C -ATOM 839 NE2 HIS A 107 -15.971 48.837 50.726 1.00 47.09 N -ATOM 840 N HIS A 108 -14.978 43.852 51.263 1.00 34.78 N -ATOM 841 CA HIS A 108 -15.969 43.388 52.230 1.00 32.97 C -ATOM 842 C HIS A 108 -15.273 42.867 53.461 1.00 35.13 C -ATOM 843 O HIS A 108 -15.733 43.126 54.577 1.00 40.68 O -ATOM 844 CB HIS A 108 -16.865 42.274 51.670 1.00 30.56 C -ATOM 845 CG HIS A 108 -17.694 41.582 52.722 1.00 31.68 C -ATOM 846 ND1 HIS A 108 -18.828 42.116 53.279 1.00 30.07 N -ATOM 847 CD2 HIS A 108 -17.518 40.387 53.341 1.00 31.24 C -ATOM 848 CE1 HIS A 108 -19.301 41.257 54.203 1.00 28.52 C -ATOM 849 NE2 HIS A 108 -18.545 40.184 54.287 1.00 27.49 N -ATOM 850 N VAL A 109 -14.197 42.104 53.276 1.00 31.57 N -ATOM 851 CA VAL A 109 -13.504 41.572 54.427 1.00 33.74 C -ATOM 852 C VAL A 109 -13.002 42.698 55.308 1.00 36.30 C -ATOM 853 O VAL A 109 -13.346 42.741 56.493 1.00 35.92 O -ATOM 854 CB VAL A 109 -12.360 40.571 54.068 1.00 33.17 C -ATOM 855 CG1 VAL A 109 -12.946 39.350 53.393 1.00 33.15 C -ATOM 856 CG2 VAL A 109 -11.322 41.203 53.173 1.00 35.09 C -ATOM 857 N SER A 110 -12.314 43.668 54.699 1.00 37.79 N -ATOM 858 CA SER A 110 -11.737 44.803 55.421 1.00 41.68 C -ATOM 859 C SER A 110 -12.809 45.609 56.127 1.00 44.42 C -ATOM 860 O SER A 110 -12.737 45.852 57.338 1.00 47.40 O -ATOM 861 CB SER A 110 -10.982 45.722 54.468 1.00 42.78 C -ATOM 862 OG SER A 110 -11.885 46.557 53.762 1.00 50.84 O -ATOM 863 N SER A 111 -13.834 45.982 55.374 1.00 44.02 N -ATOM 864 CA SER A 111 -14.927 46.757 55.926 1.00 45.10 C -ATOM 865 C SER A 111 -15.621 46.077 57.116 1.00 43.59 C -ATOM 866 O SER A 111 -16.446 46.694 57.779 1.00 46.57 O -ATOM 867 CB SER A 111 -15.932 47.076 54.823 1.00 45.68 C -ATOM 868 OG SER A 111 -16.439 45.886 54.239 1.00 51.83 O -ATOM 869 N HIS A 112 -15.292 44.816 57.383 1.00 43.66 N -ATOM 870 CA HIS A 112 -15.889 44.085 58.504 1.00 46.06 C -ATOM 871 C HIS A 112 -15.562 44.847 59.780 1.00 48.01 C -ATOM 872 O HIS A 112 -14.414 45.246 59.980 1.00 51.76 O -ATOM 873 CB HIS A 112 -15.311 42.661 58.599 1.00 44.84 C -ATOM 874 CG HIS A 112 -16.281 41.579 58.233 1.00 45.59 C -ATOM 875 ND1 HIS A 112 -17.227 41.064 59.100 1.00 48.58 N -ATOM 876 CD2 HIS A 112 -16.445 40.890 57.072 1.00 40.51 C -ATOM 877 CE1 HIS A 112 -17.915 40.104 58.458 1.00 43.64 C -ATOM 878 NE2 HIS A 112 -17.480 39.956 57.219 1.00 37.06 N -ATOM 879 N LYS A 113 -16.566 45.067 60.627 1.00 49.06 N -ATOM 880 CA LYS A 113 -16.373 45.796 61.887 1.00 49.63 C -ATOM 881 C LYS A 113 -15.670 44.911 62.930 1.00 48.39 C -ATOM 882 O LYS A 113 -16.108 43.796 63.201 1.00 46.16 O -ATOM 883 CB LYS A 113 -17.730 46.291 62.409 1.00 53.52 C -ATOM 884 CG LYS A 113 -17.688 47.365 63.497 1.00 58.56 C -ATOM 885 CD LYS A 113 -17.234 48.718 62.943 1.00 64.88 C -ATOM 886 CE LYS A 113 -17.370 49.835 63.998 1.00 67.80 C -ATOM 887 NZ LYS A 113 -16.774 51.160 63.600 1.00 64.07 N -ATOM 888 N GLU A 114 -14.564 45.402 63.487 1.00 50.24 N -ATOM 889 CA GLU A 114 -13.804 44.643 64.487 1.00 54.08 C -ATOM 890 C GLU A 114 -14.432 44.733 65.890 1.00 55.75 C -ATOM 891 O GLU A 114 -15.382 45.496 66.091 1.00 55.61 O -ATOM 892 CB GLU A 114 -12.349 45.136 64.539 1.00 56.18 C -ATOM 893 CG GLU A 114 -11.539 45.041 63.231 1.00 58.02 C -ATOM 894 CD GLU A 114 -10.016 45.190 63.453 1.00 61.52 C -ATOM 895 OE1 GLU A 114 -9.579 45.289 64.617 1.00 63.05 O -ATOM 896 OE2 GLU A 114 -9.240 45.179 62.475 1.00 60.48 O -ATOM 897 N SER A 115 -13.909 43.958 66.848 1.00 57.04 N -ATOM 898 CA SER A 115 -14.410 43.967 68.233 1.00 60.26 C -ATOM 899 C SER A 115 -14.097 45.294 68.957 1.00 64.33 C -ATOM 900 O SER A 115 -14.948 46.189 68.995 1.00 66.97 O -ATOM 901 CB SER A 115 -13.855 42.773 69.025 1.00 56.54 C -ATOM 902 OG SER A 115 -14.325 41.546 68.497 1.00 49.56 O -ATOM 903 N LYS A 116 -12.917 45.391 69.574 1.00 67.23 N -ATOM 904 CA LYS A 116 -12.447 46.605 70.266 1.00 70.68 C -ATOM 905 C LYS A 116 -13.443 47.331 71.180 1.00 72.84 C -ATOM 906 O LYS A 116 -12.991 48.296 71.847 1.00 73.36 O -ATOM 907 CB LYS A 116 -11.890 47.605 69.257 1.00 71.75 C -ATOM 908 CG LYS A 116 -10.857 47.017 68.362 1.00 73.74 C -ATOM 909 CD LYS A 116 -10.280 48.046 67.430 1.00 76.40 C -ATOM 910 CE LYS A 116 -9.353 47.345 66.476 1.00 77.72 C -ATOM 911 NZ LYS A 116 -8.413 48.212 65.726 1.00 78.48 N -TER 912 LYS A 116 -HETATM 913 ZN ZN A 117 -3.674 28.883 46.574 1.00 23.28 ZN -HETATM 914 ZN ZN A 118 -2.582 28.847 42.854 1.00 24.14 ZN -HETATM 915 ZN ZN A 119 -0.311 23.240 29.837 1.00 23.33 ZN -HETATM 916 ZN ZN A 120 -18.665 39.074 55.936 1.00 34.77 ZN -HETATM 917 O HOH A 200 -8.645 41.408 37.078 1.00 32.34 O -HETATM 918 O HOH A 201 -22.203 34.367 53.789 1.00 28.66 O -HETATM 919 O HOH A 202 -21.025 31.496 42.941 1.00 11.52 O -HETATM 920 O HOH A 203 -10.979 23.198 42.905 1.00 35.10 O -HETATM 921 O HOH A 204 -6.441 21.665 28.398 1.00 22.93 O -HETATM 922 O HOH A 205 -7.924 33.755 27.548 1.00 17.21 O -HETATM 923 O HOH A 206 -12.362 39.225 25.736 1.00 29.10 O -HETATM 924 O HOH A 207 -16.604 39.368 68.155 1.00 48.60 O -HETATM 925 O HOH A 209 11.391 19.770 25.435 1.00 47.61 O -HETATM 926 O HOH A 210 -19.558 35.415 37.136 1.00 20.76 O -HETATM 927 O HOH A 211 -8.997 17.752 42.543 1.00 70.66 O -HETATM 928 O HOH A 212 -17.848 39.815 29.218 1.00 29.73 O -HETATM 929 O HOH A 213 0.354 24.858 23.327 1.00 39.34 O -HETATM 930 O HOH A 214 -20.053 22.709 42.510 1.00 41.65 O -HETATM 931 O HOH A 215 -0.550 35.214 42.541 1.00 28.15 O -HETATM 932 O HOH A 216 3.721 36.113 26.945 1.00 31.95 O -HETATM 933 O HOH A 217 -11.370 41.278 46.235 1.00 22.29 O -HETATM 934 O HOH A 218 -14.710 20.438 40.295 1.00 60.70 O -HETATM 935 O HOH A 219 -3.867 24.186 24.685 1.00 60.10 O -HETATM 936 O HOH A 220 -18.806 22.753 33.446 1.00 24.72 O -HETATM 937 O HOH A 221 -4.291 38.215 36.626 1.00 30.88 O -HETATM 938 O HOH A 222 -21.802 33.392 41.115 1.00 21.95 O -HETATM 939 O HOH A 223 -10.464 25.082 46.772 1.00 23.85 O -HETATM 940 O HOH A 224 -6.687 25.926 33.517 1.00 9.06 O -HETATM 941 O HOH A 226 -20.008 25.768 42.540 1.00 42.46 O -HETATM 942 O HOH A 227 -4.817 20.813 35.171 1.00 31.38 O -HETATM 943 O HOH A 228 -4.569 18.419 45.166 1.00 52.23 O -HETATM 944 O HOH A 229 -19.287 19.876 34.487 1.00 17.13 O -HETATM 945 O HOH A 230 -9.508 22.465 39.519 1.00 45.01 O -HETATM 946 O HOH A 231 0.065 35.419 58.587 1.00 41.28 O -HETATM 947 O HOH A 232 -8.045 28.603 55.402 1.00 72.69 O -HETATM 948 O HOH A 233 1.922 19.146 25.593 1.00 45.51 O -HETATM 949 O HOH A 234 -17.250 38.173 24.387 1.00 24.65 O -HETATM 950 O HOH A 235 -9.201 38.043 42.880 1.00 38.20 O -HETATM 951 O HOH A 236 -9.213 38.592 45.787 1.00 36.97 O -HETATM 952 O HOH A 237 -13.075 41.878 35.324 1.00 30.43 O -HETATM 953 O HOH A 238 -7.860 36.674 40.891 1.00 16.17 O -HETATM 954 O HOH A 239 -8.953 34.635 43.869 1.00 43.17 O -HETATM 955 O HOH A 240 -7.558 32.525 52.921 1.00 40.08 O -HETATM 956 O HOH A 241 -11.496 29.499 51.681 1.00 25.31 O -HETATM 957 O HOH A 242 5.209 22.297 41.811 1.00 19.13 O -HETATM 958 O HOH A 244 -8.278 27.167 35.413 1.00 12.83 O -HETATM 959 O HOH A 245 -8.077 32.807 45.674 1.00 34.04 O -HETATM 960 O HOH A 246 2.083 30.866 50.448 1.00 60.62 O -HETATM 961 O HOH A 247 -17.855 25.003 45.039 1.00 26.08 O -HETATM 962 O HOH A 248 -0.982 20.533 42.199 1.00 50.98 O -HETATM 963 O HOH A 249 -26.860 27.221 43.025 1.00 29.09 O -HETATM 964 O HOH A 250 -11.290 24.583 55.905 1.00 67.16 O -HETATM 965 O HOH A 251 10.262 34.797 25.020 1.00 57.85 O -HETATM 966 O HOH A 252 1.812 38.800 33.347 1.00 35.48 O -HETATM 967 O HOH A 253 -8.741 40.145 26.520 1.00 48.18 O -HETATM 968 O HOH A 254 -5.258 35.143 26.702 1.00 76.99 O -CONECT 14 913 -CONECT 44 913 -CONECT 199 914 -CONECT 222 913 914 -CONECT 238 913 -CONECT 312 915 -CONECT 328 915 -CONECT 356 914 -CONECT 381 914 -CONECT 474 915 -CONECT 493 915 -CONECT 709 916 -CONECT 744 916 -CONECT 849 916 -CONECT 878 916 -CONECT 913 14 44 222 238 -CONECT 914 199 222 356 381 -CONECT 915 312 328 474 493 -CONECT 916 709 744 849 878 -MASTER 297 0 4 7 4 0 4 6 967 1 19 9 -END |