Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 04-JAN-09 3FP6 TITLE ANIONIC TRYPSIN IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR TITLE 2 (BPTI) DETERMINED TO THE 1.49 A RESOLUTION LIMIT COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANIONIC TRYPSIN-2; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: ANIONIC TRYPSIN II, PRETRYPSINOGEN II, SERINE PROTEASE 2; COMPND 5 EC: 3.4.21.4; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 9 CHAIN: I; COMPND 10 SYNONYM: BASIC PROTEASE INHIBITOR, BPTI, BPI, APROTININ SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: BROWN RAT,RAT,RATS; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: PRSS2, TRY2; SOURCE 6 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 7 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: DLM101; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PYT; SOURCE 12 MOL_ID: 2; SOURCE 13 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 14 ORGANISM_COMMON: BOVINE,COW,DOMESTIC CATTLE,DOMESTIC COW; SOURCE 15 ORGANISM_TAXID: 9913 KEYWDS ENZYME-INHIBITOR COMPLEX, CALCIUM, DIGESTION, HYDROLASE, METAL- KEYWDS 2 BINDING, PROTEASE, SECRETED, SERINE PROTEASE, ZYMOGEN, KEYWDS 3 PHARMACEUTICAL, PROTEASE INHIBITOR, SERINE PROTEASE INHIBITOR, KEYWDS 4 HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.ZAKHAROVA,M.P.HORVATH,D.P.GOLDENBERG REVDAT 4 04-APR-18 3FP6 1 REMARK REVDAT 3 01-NOV-17 3FP6 1 REMARK REVDAT 2 18-AUG-09 3FP6 1 JRNL REVDAT 1 17-FEB-09 3FP6 0 JRNL AUTH E.ZAKHAROVA,M.P.HORVATH,D.P.GOLDENBERG JRNL TITL STRUCTURE OF A SERINE PROTEASE POISED TO RESYNTHESIZE A JRNL TITL 2 PEPTIDE BOND. JRNL REF PROC.NATL.ACAD.SCI.USA V. 106 11034 2009 JRNL REFN ISSN 0027-8424 JRNL PMID 19549826 JRNL DOI 10.1073/PNAS.0902463106 REMARK 2 REMARK 2 RESOLUTION. 1.49 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.49 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 48502 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) : 0.187 REMARK 3 FREE R VALUE : 0.205 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.900 REMARK 3 FREE R VALUE TEST SET COUNT : 3859 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 : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.49 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.58 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.90 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 7221 REMARK 3 BIN R VALUE (WORKING SET) : 0.2729 REMARK 3 BIN FREE R VALUE : 0.2845 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 645 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 : 2101 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 66 REMARK 3 SOLVENT ATOMS : 299 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 20.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.10 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) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.16 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) : 0.19 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.17 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.450 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.70 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.220 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 0.940 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.480 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.450 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.090 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : CNS SOLVE REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 36.47 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : LIGAND.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : LIGAND.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SIMULATED ANNEALING TORSION ANGLE REMARK 3 REFINEMENT, POSITIONAL REFINEMENT, RESTRAINED ISOTROPIC REMARK 3 INDIVIDUAL B-VALUE REFINEMENT, COUPLED WITH MODEL ADJUSTMENT ON REMARK 3 THE BASIS OF SIGMA-A WEIGHTED AND COMPOSITE SIMULATED ANNEALING REMARK 3 OMIT ELECTRON DENSITY MAPS REMARK 4 REMARK 4 3FP6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-09. REMARK 100 THE DEPOSITION ID IS D_1000050868. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-DEC-07 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC CONFOCAL MAX-FLUX (GREEN) REMARK 200 OPTICS : OSMIC CONFOCAL MAX-FLUX (GREEN) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : NONIUS KAPPA CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 48520 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.490 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 8.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06200 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.49 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.52 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.90 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.42700 REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 3TGI REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.81 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.45 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M LITHIUM SULFATE, 0.1M TRIS, 16% REMARK 280 (W/V) PEG 4000, PH 7.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 295K 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 40.90133 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 20.45067 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 20.45067 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 40.90133 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 300 REMARK: AUTHORS STATE THAT THE QUATERNARY STRUCTURE IS A REMARK 300 HETERODIMER. 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3460 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12060 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -53.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH E 717 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG E 62 NE NH1 NH2 REMARK 470 LYS E 97 CD CE NZ REMARK 470 LYS E 113 CD CE NZ REMARK 470 LYS I 26 CG CD CE NZ REMARK 470 GLU I 49 CG CD OE1 OE2 REMARK 470 ALA I 58 O 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 ASN E 25 41.97 37.61 REMARK 500 ASP E 49 -4.01 -59.01 REMARK 500 HIS E 71 -62.32 -126.18 REMARK 500 SER E 214 -70.00 -126.14 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 CA E 601 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 70 OE1 REMARK 620 2 ASN E 72 O 87.9 REMARK 620 3 VAL E 75 O 159.6 84.9 REMARK 620 4 GLU E 77 OE1 93.2 86.9 105.4 REMARK 620 5 GLU E 80 OE2 103.7 165.6 86.8 84.0 REMARK 620 6 HOH E 776 O 79.2 102.4 83.7 167.7 88.3 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 501 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 502 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 503 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 504 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 505 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 506 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO E 507 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 E 509 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 601 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 E 602 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO I 508 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 603 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 604 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 605 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3TGI RELATED DB: PDB REMARK 900 ANIONIC TRYPSIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR REMARK 900 (BPTI) DETERMINED TO THE 1.8 A RESOLUTION LIMIT REMARK 900 RELATED ID: 3FP7 RELATED DB: PDB REMARK 900 ANIONIC TRYPSIN VARIANT S195A IN COMPLEX WITH BPTI DETERMINED TO REMARK 900 THE 1.46 A RESOLUTION LIMIT REMARK 900 RELATED ID: 3FP8 RELATED DB: PDB REMARK 900 ANIONIC TRYPSIN VARIANT S195A IN COMPLEX WITH CLEAVED BPTI (LYS15/ REMARK 900 ALA16) DETERMINED TO THE 1.46 A RESOLUTION LIMIT DBREF 3FP6 E 16 245 UNP P00763 TRY2_RAT 24 246 DBREF 3FP6 I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQRES 1 E 223 ILE VAL GLY GLY TYR THR CYS GLN GLU ASN SER VAL PRO SEQRES 2 E 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 E 223 GLY SER LEU ILE ASN ASP GLN TRP VAL VAL SER ALA ALA SEQRES 4 E 223 HIS CYS TYR LYS SER ARG ILE GLN VAL ARG LEU GLY GLU SEQRES 5 E 223 HIS ASN ILE ASN VAL LEU GLU GLY ASN GLU GLN PHE VAL SEQRES 6 E 223 ASN ALA ALA LYS ILE ILE LYS HIS PRO ASN PHE ASP ARG SEQRES 7 E 223 LYS THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU SER SEQRES 8 E 223 SER PRO VAL LYS LEU ASN ALA ARG VAL ALA THR VAL ALA SEQRES 9 E 223 LEU PRO SER SER CYS ALA PRO ALA GLY THR GLN CYS LEU SEQRES 10 E 223 ILE SER GLY TRP GLY ASN THR LEU SER SER GLY VAL ASN SEQRES 11 E 223 GLU PRO ASP LEU LEU GLN CYS LEU ASP ALA PRO LEU LEU SEQRES 12 E 223 PRO GLN ALA ASP CYS GLU ALA SER TYR PRO GLY LYS ILE SEQRES 13 E 223 THR ASP ASN MET VAL CYS VAL GLY PHE LEU GLU GLY GLY SEQRES 14 E 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 E 223 CYS ASN GLY GLU LEU GLN GLY ILE VAL SER TRP GLY TYR SEQRES 16 E 223 GLY CYS ALA LEU PRO ASP ASN PRO GLY VAL TYR THR LYS SEQRES 17 E 223 VAL CYS ASN TYR VAL ASP TRP ILE GLN ASP THR ILE ALA SEQRES 18 E 223 ALA ASN SEQRES 1 I 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 58 ARG THR CYS GLY GLY ALA HET EDO E 501 4 HET EDO E 502 4 HET EDO E 503 4 HET EDO E 504 4 HET EDO E 505 4 HET EDO E 506 4 HET EDO E 507 4 HET PG4 E 509 26 HET CA E 601 1 HET SO4 E 602 15 HET EDO I 508 4 HET SO4 I 603 5 HET SO4 I 604 5 HET SO4 I 605 5 HETNAM EDO 1,2-ETHANEDIOL HETNAM PG4 TETRAETHYLENE GLYCOL HETNAM CA CALCIUM ION HETNAM SO4 SULFATE ION HETSYN EDO ETHYLENE GLYCOL FORMUL 3 EDO 8(C2 H6 O2) FORMUL 10 PG4 C8 H18 O5 FORMUL 11 CA CA 2+ FORMUL 12 SO4 4(O4 S 2-) FORMUL 17 HOH *299(H2 O) HELIX 1 1 ALA E 55 TYR E 59 5 5 HELIX 2 2 PRO E 164 TYR E 172 1 9 HELIX 3 3 TYR E 234 ASN E 245 1 12 HELIX 4 4 PRO I 2 GLU I 7 5 6 HELIX 5 5 SER I 47 GLY I 56 1 10 SHEET 1 A 7 TYR E 20 THR E 21 0 SHEET 2 A 7 GLN E 156 PRO E 161 -1 O CYS E 157 N TYR E 20 SHEET 3 A 7 GLN E 135 GLY E 140 -1 N ILE E 138 O LEU E 158 SHEET 4 A 7 PRO E 198 CYS E 201 -1 O VAL E 200 N LEU E 137 SHEET 5 A 7 GLU E 204 TRP E 215 -1 O GLU E 204 N CYS E 201 SHEET 6 A 7 GLY E 226 LYS E 230 -1 O VAL E 227 N TRP E 215 SHEET 7 A 7 MET E 180 VAL E 183 -1 N VAL E 181 O TYR E 228 SHEET 1 B 7 GLN E 30 ASN E 34 0 SHEET 2 B 7 HIS E 40 ASN E 48 -1 O CYS E 42 N LEU E 33 SHEET 3 B 7 TRP E 51 SER E 54 -1 O VAL E 53 N SER E 45 SHEET 4 B 7 MET E 104 LEU E 108 -1 O MET E 104 N SER E 54 SHEET 5 B 7 GLN E 81 LYS E 90 -1 N ILE E 89 O LEU E 105 SHEET 6 B 7 GLN E 64 LEU E 68 -1 N VAL E 66 O VAL E 83 SHEET 7 B 7 GLN E 30 ASN E 34 -1 N SER E 32 O ARG E 67 SHEET 1 C 2 ILE I 18 ASN I 24 0 SHEET 2 C 2 LEU I 29 TYR I 35 -1 O TYR I 35 N ILE I 18 SSBOND 1 CYS E 22 CYS E 157 1555 1555 2.03 SSBOND 2 CYS E 42 CYS E 58 1555 1555 2.03 SSBOND 3 CYS E 128 CYS E 232 1555 1555 2.03 SSBOND 4 CYS E 136 CYS E 201 1555 1555 2.03 SSBOND 5 CYS E 168 CYS E 182 1555 1555 2.03 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.04 SSBOND 7 CYS I 5 CYS I 55 1555 1555 2.03 SSBOND 8 CYS I 14 CYS I 38 1555 1555 2.03 SSBOND 9 CYS I 30 CYS I 51 1555 1555 2.03 LINK OE1 GLU E 70 CA CA E 601 1555 1555 2.24 LINK O ASN E 72 CA CA E 601 1555 1555 2.30 LINK O VAL E 75 CA CA E 601 1555 1555 2.27 LINK OE1 GLU E 77 CA CA E 601 1555 1555 2.49 LINK OE2 GLU E 80 CA CA E 601 1555 1555 2.29 LINK CA CA E 601 O HOH E 776 1555 1555 2.28 SITE 1 AC1 9 ASN E 34 GLY E 38 TYR E 39 HIS E 40 SITE 2 AC1 9 ARG E 67 ILE E 73 HOH E 709 HOH E 718 SITE 3 AC1 9 HOH E 779 SITE 1 AC2 3 ASN E 100 ASN E 101 ASN E 179 SITE 1 AC3 4 TYR E 59 ILE E 88 LYS E 90 ASP E 236 SITE 1 AC4 7 ASN E 143 CYS E 191 GLN E 192 HOH E 784 SITE 2 AC4 7 HOH E 884 HOH E 890 VAL I 34 SITE 1 AC5 6 ILE E 47 ASN E 48 LEU E 123 GLN E 239 SITE 2 AC5 6 HOH E 823 HOH E 830 SITE 1 AC6 6 LYS E 97 THR E 98 TRP E 215 TYR E 217 SITE 2 AC6 6 HOH E 864 HOH E 900 SITE 1 AC7 9 TYR E 217 GLY E 219 HOH E 895 ASP I 3 SITE 2 AC7 9 TYR I 10 GLY I 12 PRO I 13 EDO I 508 SITE 3 AC7 9 HOH I 713 SITE 1 AC8 7 GLY E 18 PHE E 184A GLU E 186 GLY E 187 SITE 2 AC8 7 GLY E 188 LYS E 188A HOH E 911 SITE 1 AC9 6 GLU E 70 ASN E 72 VAL E 75 GLU E 77 SITE 2 AC9 6 GLU E 80 HOH E 776 SITE 1 BC1 6 LYS E 175 HOH E 858 HOH E 900 ARG I 39 SITE 2 BC1 6 ARG I 42 HOH I 718 SITE 1 BC2 6 EDO E 507 ASP I 3 PHE I 4 TYR I 10 SITE 2 BC2 6 LYS I 41 SO4 I 605 SITE 1 BC3 8 ARG I 20 TYR I 35 ALA I 40 HOH I 717 SITE 2 BC3 8 HOH I 741 HOH I 748 HOH I 751 HOH I 752 SITE 1 BC4 9 LYS E 60 HOH E 751 HOH E 852 ILE I 18 SITE 2 BC4 9 ILE I 19 ARG I 20 HOH I 742 HOH I 761 SITE 3 BC4 9 HOH I 763 SITE 1 BC5 7 LYS I 41 ARG I 42 EDO I 508 HOH I 701 SITE 2 BC5 7 HOH I 708 HOH I 730 HOH I 731 CRYST1 91.634 91.634 61.352 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 0.010913 0.006301 0.000000 0.00000 SCALE2 0.000000 0.012601 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016299 0.00000 ATOM 1 N ILE E 16 9.870 25.750 13.476 1.00 7.46 N ATOM 2 CA ILE E 16 9.947 25.548 11.999 1.00 7.97 C ATOM 3 C ILE E 16 9.785 24.062 11.682 1.00 7.69 C ATOM 4 O ILE E 16 10.578 23.236 12.138 1.00 7.66 O ATOM 5 CB ILE E 16 11.310 26.031 11.442 1.00 6.52 C ATOM 6 CG1 ILE E 16 11.531 27.514 11.759 1.00 6.84 C ATOM 7 CG2 ILE E 16 11.384 25.784 9.930 1.00 8.98 C ATOM 8 CD1 ILE E 16 10.643 28.478 10.974 1.00 7.43 C ATOM 9 N VAL E 17 8.730 23.732 10.941 1.00 8.64 N ATOM 10 CA VAL E 17 8.443 22.356 10.532 1.00 8.21 C ATOM 11 C VAL E 17 8.967 22.118 9.117 1.00 9.58 C ATOM 12 O VAL E 17 8.733 22.928 8.220 1.00 10.18 O ATOM 13 CB VAL E 17 6.918 22.067 10.529 1.00 9.00 C ATOM 14 CG1 VAL E 17 6.641 20.627 10.102 1.00 10.48 C ATOM 15 CG2 VAL E 17 6.323 22.345 11.903 1.00 10.58 C ATOM 16 N GLY E 18 9.685 21.016 8.927 1.00 9.95 N ATOM 17 CA GLY E 18 10.208 20.689 7.610 1.00 10.09 C ATOM 18 C GLY E 18 11.378 21.534 7.145 1.00 11.64 C ATOM 19 O GLY E 18 11.664 21.601 5.947 1.00 13.19 O ATOM 20 N GLY E 19 12.044 22.196 8.088 1.00 10.21 N ATOM 21 CA GLY E 19 13.188 23.022 7.753 1.00 9.41 C ATOM 22 C GLY E 19 14.494 22.288 7.984 1.00 10.43 C ATOM 23 O GLY E 19 14.545 21.055 7.977 1.00 11.22 O ATOM 24 N TYR E 20 15.551 23.056 8.202 1.00 9.64 N ATOM 25 CA TYR E 20 16.877 22.505 8.443 1.00 10.07 C ATOM 26 C TYR E 20 17.588 23.356 9.481 1.00 11.06 C ATOM 27 O TYR E 20 17.214 24.502 9.721 1.00 9.93 O ATOM 28 CB TYR E 20 17.688 22.477 7.137 1.00 10.07 C ATOM 29 CG TYR E 20 17.797 23.822 6.444 1.00 9.17 C ATOM 30 CD1 TYR E 20 18.876 24.670 6.685 1.00 8.96 C ATOM 31 CD2 TYR E 20 16.810 24.252 5.558 1.00 9.11 C ATOM 32 CE1 TYR E 20 18.970 25.913 6.065 1.00 9.54 C ATOM 33 CE2 TYR E 20 16.896 25.493 4.932 1.00 8.89 C ATOM 34 CZ TYR E 20 17.976 26.317 5.191 1.00 8.75 C ATOM 35 OH TYR E 20 18.067 27.547 4.581 1.00 10.11 O ATOM 36 N THR E 21 18.609 22.792 10.112 1.00 11.77 N ATOM 37 CA THR E 21 19.358 23.538 11.107 1.00 11.31 C ATOM 38 C THR E 21 20.200 24.589 10.393 1.00 11.55 C ATOM 39 O THR E 21 20.955 24.266 9.477 1.00 12.92 O ATOM 40 CB THR E 21 20.260 22.604 11.931 1.00 12.74 C ATOM 41 OG1 THR E 21 19.443 21.675 12.653 1.00 13.54 O ATOM 42 CG2 THR E 21 21.107 23.400 12.910 1.00 12.41 C ATOM 43 N CYS E 22 20.020 25.855 10.768 1.00 12.03 N ATOM 44 CA CYS E 22 20.777 26.942 10.156 1.00 12.40 C ATOM 45 C CYS E 22 22.258 26.781 10.465 1.00 13.71 C ATOM 46 O CYS E 22 22.624 26.269 11.524 1.00 13.20 O ATOM 47 CB CYS E 22 20.348 28.301 10.719 1.00 11.50 C ATOM 48 SG CYS E 22 18.568 28.674 10.781 1.00 10.48 S ATOM 49 N GLN E 23 23.110 27.207 9.538 1.00 14.44 N ATOM 50 CA GLN E 23 24.551 27.158 9.756 1.00 16.08 C ATOM 51 C GLN E 23 24.784 28.095 10.947 1.00 18.04 C ATOM 52 O GLN E 23 24.121 29.130 11.046 1.00 16.53 O ATOM 53 CB GLN E 23 25.276 27.678 8.509 1.00 18.31 C ATOM 54 CG GLN E 23 26.777 27.882 8.669 1.00 21.34 C ATOM 55 CD GLN E 23 27.529 26.591 8.937 1.00 23.77 C ATOM 56 OE1 GLN E 23 27.009 25.493 8.723 1.00 25.12 O ATOM 57 NE2 GLN E 23 28.765 26.718 9.412 1.00 26.22 N ATOM 58 N GLU E 24 25.680 27.724 11.862 1.00 19.17 N ATOM 59 CA GLU E 24 25.951 28.550 13.044 1.00 21.44 C ATOM 60 C GLU E 24 26.067 30.029 12.686 1.00 21.62 C ATOM 61 O GLU E 24 26.794 30.393 11.756 1.00 22.31 O ATOM 62 CB GLU E 24 27.187 28.055 13.801 1.00 23.26 C ATOM 63 CG GLU E 24 27.282 28.638 15.207 1.00 26.10 C ATOM 64 CD GLU E 24 28.189 27.851 16.137 1.00 28.43 C ATOM 65 OE1 GLU E 24 28.753 26.817 15.717 1.00 28.88 O ATOM 66 OE2 GLU E 24 28.324 28.269 17.308 1.00 30.94 O ATOM 67 N AASN E 25 25.277 30.834 13.391 0.50 21.58 N ATOM 68 N BASN E 25 25.396 30.888 13.460 0.50 22.42 N ATOM 69 CA AASN E 25 25.248 32.279 13.240 0.50 21.34 C ATOM 70 CA BASN E 25 25.308 32.340 13.197 0.50 22.80 C ATOM 71 C AASN E 25 25.138 32.792 11.800 0.50 20.91 C ATOM 72 C BASN E 25 25.192 32.776 11.737 0.50 21.94 C ATOM 73 O AASN E 25 25.695 33.843 11.469 0.50 20.92 O ATOM 74 O BASN E 25 25.813 33.743 11.314 0.50 22.57 O ATOM 75 CB AASN E 25 26.459 32.886 13.960 0.50 21.67 C ATOM 76 CB BASN E 25 26.332 33.242 13.926 0.50 24.79 C ATOM 77 CG AASN E 25 26.536 32.473 15.429 0.50 21.00 C ATOM 78 CG BASN E 25 27.462 32.493 14.580 0.50 25.40 C ATOM 79 OD1AASN E 25 25.574 32.624 16.182 0.50 19.21 O ATOM 80 OD1BASN E 25 28.570 32.433 14.048 0.50 26.83 O ATOM 81 ND2AASN E 25 27.687 31.942 15.835 0.50 22.36 N ATOM 82 ND2BASN E 25 27.224 32.014 15.795 0.50 26.88 N ATOM 83 N SER E 26 24.383 32.065 10.967 1.00 20.25 N ATOM 84 CA SER E 26 24.174 32.431 9.563 1.00 17.01 C ATOM 85 C SER E 26 22.963 33.362 9.458 1.00 14.99 C ATOM 86 O SER E 26 22.646 33.875 8.389 1.00 14.96 O ATOM 87 CB SER E 26 23.970 31.192 8.679 1.00 15.84 C ATOM 88 OG SER E 26 22.816 30.458 9.052 1.00 14.31 O ATOM 89 N VAL E 27 22.288 33.561 10.588 1.00 12.90 N ATOM 90 CA VAL E 27 21.119 34.438 10.683 1.00 11.09 C ATOM 91 C VAL E 27 21.430 35.322 11.899 1.00 10.96 C ATOM 92 O VAL E 27 20.761 35.239 12.934 1.00 9.78 O ATOM 93 CB VAL E 27 19.828 33.608 10.947 1.00 11.05 C ATOM 94 CG1 VAL E 27 18.593 34.474 10.779 1.00 10.02 C ATOM 95 CG2 VAL E 27 19.761 32.406 10.017 1.00 12.95 C ATOM 96 N PRO E 28 22.442 36.202 11.774 1.00 10.16 N ATOM 97 CA PRO E 28 22.871 37.097 12.854 1.00 9.58 C ATOM 98 C PRO E 28 21.877 38.121 13.382 1.00 10.12 C ATOM 99 O PRO E 28 22.101 38.705 14.444 1.00 9.41 O ATOM 100 CB PRO E 28 24.121 37.755 12.271 1.00 11.04 C ATOM 101 CG PRO E 28 23.797 37.844 10.822 1.00 10.52 C ATOM 102 CD PRO E 28 23.193 36.492 10.534 1.00 10.54 C ATOM 103 N TYR E 29 20.800 38.352 12.635 1.00 9.16 N ATOM 104 CA TYR E 29 19.764 39.303 13.035 1.00 9.45 C ATOM 105 C TYR E 29 18.664 38.640 13.867 1.00 8.58 C ATOM 106 O TYR E 29 17.812 39.325 14.437 1.00 9.01 O ATOM 107 CB TYR E 29 19.153 39.973 11.799 1.00 10.20 C ATOM 108 CG TYR E 29 18.746 38.995 10.721 1.00 8.69 C ATOM 109 CD1 TYR E 29 17.511 38.352 10.763 1.00 8.94 C ATOM 110 CD2 TYR E 29 19.612 38.693 9.669 1.00 9.40 C ATOM 111 CE1 TYR E 29 17.147 37.429 9.790 1.00 8.59 C ATOM 112 CE2 TYR E 29 19.259 37.771 8.690 1.00 8.95 C ATOM 113 CZ TYR E 29 18.028 37.142 8.756 1.00 7.04 C ATOM 114 OH TYR E 29 17.685 36.218 7.800 1.00 10.44 O ATOM 115 N GLN E 30 18.669 37.309 13.909 1.00 7.99 N ATOM 116 CA GLN E 30 17.670 36.563 14.676 1.00 8.30 C ATOM 117 C GLN E 30 17.925 36.660 16.175 1.00 8.82 C ATOM 118 O GLN E 30 19.043 36.432 16.640 1.00 9.17 O ATOM 119 CB GLN E 30 17.673 35.085 14.274 1.00 7.43 C ATOM 120 CG GLN E 30 16.852 34.155 15.191 1.00 7.98 C ATOM 121 CD GLN E 30 15.378 34.104 14.837 1.00 9.80 C ATOM 122 OE1 GLN E 30 14.507 34.362 15.676 1.00 10.75 O ATOM 123 NE2 GLN E 30 15.086 33.728 13.603 1.00 5.98 N ATOM 124 N VAL E 31 16.890 37.028 16.922 1.00 6.91 N ATOM 125 CA VAL E 31 17.002 37.094 18.375 1.00 7.89 C ATOM 126 C VAL E 31 15.919 36.223 18.998 1.00 7.75 C ATOM 127 O VAL E 31 14.949 35.841 18.338 1.00 7.19 O ATOM 128 CB VAL E 31 16.871 38.539 18.943 1.00 7.69 C ATOM 129 CG1 VAL E 31 17.853 39.480 18.254 1.00 9.45 C ATOM 130 CG2 VAL E 31 15.440 39.047 18.832 1.00 8.33 C ATOM 131 N SER E 32 16.142 35.853 20.253 1.00 7.16 N ATOM 132 CA SER E 32 15.189 35.066 21.019 1.00 7.06 C ATOM 133 C SER E 32 14.636 35.975 22.110 1.00 6.86 C ATOM 134 O SER E 32 15.399 36.695 22.756 1.00 8.44 O ATOM 135 CB SER E 32 15.878 33.867 21.673 1.00 6.88 C ATOM 136 OG SER E 32 15.048 33.299 22.679 1.00 8.09 O ATOM 137 N LEU E 33 13.314 35.989 22.262 1.00 6.59 N ATOM 138 CA LEU E 33 12.664 36.779 23.310 1.00 6.85 C ATOM 139 C LEU E 33 12.441 35.774 24.433 1.00 7.06 C ATOM 140 O LEU E 33 11.858 34.710 24.221 1.00 6.81 O ATOM 141 CB LEU E 33 11.341 37.376 22.823 1.00 8.17 C ATOM 142 CG LEU E 33 11.421 38.320 21.616 1.00 7.51 C ATOM 143 CD1 LEU E 33 10.099 39.054 21.448 1.00 8.55 C ATOM 144 CD2 LEU E 33 12.550 39.324 21.792 1.00 8.67 C ATOM 145 N ASN E 34 12.903 36.133 25.626 1.00 7.22 N ATOM 146 CA ASN E 34 12.852 35.254 26.784 1.00 7.97 C ATOM 147 C ASN E 34 12.307 35.954 28.027 1.00 7.90 C ATOM 148 O ASN E 34 12.703 37.068 28.342 1.00 9.05 O ATOM 149 CB ASN E 34 14.294 34.771 27.044 1.00 6.98 C ATOM 150 CG ASN E 34 14.397 33.715 28.131 1.00 8.70 C ATOM 151 OD1 ASN E 34 14.099 33.969 29.298 1.00 9.80 O ATOM 152 ND2 ASN E 34 14.883 32.535 27.759 1.00 8.14 N ATOM 153 N ASER E 37 11.391 35.292 28.726 0.33 8.32 N ATOM 154 N BSER E 37 11.385 35.289 28.720 0.33 8.27 N ATOM 155 N CSER E 37 11.374 35.289 28.697 0.33 8.74 N ATOM 156 CA ASER E 37 10.802 35.844 29.945 0.33 8.28 C ATOM 157 CA BSER E 37 10.767 35.821 29.938 0.33 8.27 C ATOM 158 CA CSER E 37 10.811 35.816 29.923 0.33 9.34 C ATOM 159 C ASER E 37 10.821 34.760 31.027 0.33 8.65 C ATOM 160 C BSER E 37 10.814 34.748 31.026 0.33 8.62 C ATOM 161 C CSER E 37 10.757 34.681 30.943 0.33 10.13 C ATOM 162 O ASER E 37 10.019 34.777 31.967 0.33 7.74 O ATOM 163 O BSER E 37 10.024 34.768 31.977 0.33 7.62 O ATOM 164 O CSER E 37 9.799 34.535 31.702 0.33 11.42 O ATOM 165 CB ASER E 37 9.365 36.308 29.677 0.33 8.95 C ATOM 166 CB BSER E 37 9.307 36.197 29.661 0.33 8.94 C ATOM 167 CB CSER E 37 9.450 36.460 29.677 0.33 9.62 C ATOM 168 OG ASER E 37 8.890 37.138 30.720 0.33 8.07 O ATOM 169 OG BSER E 37 8.564 35.061 29.247 0.33 8.99 O ATOM 170 OG CSER E 37 9.617 37.681 28.982 0.33 8.35 O ATOM 171 N GLY E 38 11.794 33.855 30.905 1.00 9.38 N ATOM 172 CA GLY E 38 11.934 32.734 31.827 1.00 9.47 C ATOM 173 C GLY E 38 12.360 31.571 30.942 1.00 10.16 C ATOM 174 O GLY E 38 13.190 30.749 31.314 1.00 11.44 O ATOM 175 N ATYR E 39 11.714 31.480 29.778 0.50 9.97 N ATOM 176 N BTYR E 39 11.802 31.557 29.738 0.50 8.64 N ATOM 177 CA ATYR E 39 11.975 30.458 28.755 0.50 9.80 C ATOM 178 CA BTYR E 39 12.102 30.555 28.729 0.50 7.20 C ATOM 179 C ATYR E 39 11.772 31.160 27.398 0.50 8.81 C ATOM 180 C BTYR E 39 11.886 31.247 27.393 0.50 6.54 C ATOM 181 O ATYR E 39 11.118 32.204 27.340 0.50 10.00 O ATOM 182 O BTYR E 39 11.354 32.363 27.340 0.50 6.57 O ATOM 183 CB ATYR E 39 10.963 29.297 28.855 0.50 11.14 C ATOM 184 CB BTYR E 39 11.178 29.334 28.863 0.50 6.46 C ATOM 185 CG ATYR E 39 11.015 28.427 30.108 0.50 13.49 C ATOM 186 CG BTYR E 39 9.696 29.655 28.910 0.50 6.54 C ATOM 187 CD1ATYR E 39 10.135 28.641 31.171 0.50 13.95 C ATOM 188 CD1BTYR E 39 8.971 29.873 27.738 0.50 6.69 C ATOM 189 CD2ATYR E 39 11.904 27.358 30.205 0.50 14.76 C ATOM 190 CD2BTYR E 39 9.023 29.761 30.128 0.50 7.61 C ATOM 191 CE1ATYR E 39 10.141 27.808 32.298 0.50 14.64 C ATOM 192 CE1BTYR E 39 7.616 30.192 27.775 0.50 6.56 C ATOM 193 CE2ATYR E 39 11.919 26.519 31.330 0.50 15.48 C ATOM 194 CE2BTYR E 39 7.665 30.078 30.176 0.50 8.35 C ATOM 195 CZ ATYR E 39 11.034 26.752 32.369 0.50 15.61 C ATOM 196 CZ BTYR E 39 6.970 30.294 28.995 0.50 7.18 C ATOM 197 OH ATYR E 39 11.041 25.934 33.477 0.50 17.69 O ATOM 198 OH BTYR E 39 5.631 30.612 29.029 0.50 8.00 O ATOM 199 N HIS E 40 12.342 30.610 26.323 1.00 8.13 N ATOM 200 CA HIS E 40 12.175 31.176 24.984 1.00 7.04 C ATOM 201 C HIS E 40 10.679 31.119 24.640 1.00 7.18 C ATOM 202 O HIS E 40 10.060 30.062 24.774 1.00 8.41 O ATOM 203 CB HIS E 40 12.955 30.344 23.965 1.00 6.77 C ATOM 204 CG HIS E 40 12.541 30.596 22.551 1.00 6.61 C ATOM 205 ND1 HIS E 40 13.078 31.613 21.788 1.00 7.98 N ATOM 206 CD2 HIS E 40 11.585 30.018 21.787 1.00 8.54 C ATOM 207 CE1 HIS E 40 12.462 31.655 20.622 1.00 7.14 C ATOM 208 NE2 HIS E 40 11.551 30.698 20.595 1.00 7.35 N ATOM 209 N PHE E 41 10.103 32.236 24.196 1.00 7.16 N ATOM 210 CA PHE E 41 8.678 32.239 23.859 1.00 6.62 C ATOM 211 C PHE E 41 8.342 32.856 22.502 1.00 6.39 C ATOM 212 O PHE E 41 7.239 32.668 21.994 1.00 6.39 O ATOM 213 CB PHE E 41 7.847 32.912 24.967 1.00 6.37 C ATOM 214 CG PHE E 41 8.004 34.408 25.033 1.00 5.71 C ATOM 215 CD1 PHE E 41 9.005 34.982 25.805 1.00 6.88 C ATOM 216 CD2 PHE E 41 7.153 35.243 24.315 1.00 7.65 C ATOM 217 CE1 PHE E 41 9.161 36.363 25.857 1.00 7.17 C ATOM 218 CE2 PHE E 41 7.301 36.623 24.360 1.00 7.45 C ATOM 219 CZ PHE E 41 8.308 37.186 25.134 1.00 7.84 C ATOM 220 N CYS E 42 9.288 33.593 21.929 1.00 6.68 N ATOM 221 CA CYS E 42 9.085 34.252 20.635 1.00 6.50 C ATOM 222 C CYS E 42 10.426 34.630 20.031 1.00 7.28 C ATOM 223 O CYS E 42 11.451 34.613 20.706 1.00 7.06 O ATOM 224 CB CYS E 42 8.266 35.541 20.808 1.00 8.64 C ATOM 225 SG CYS E 42 6.454 35.387 20.704 1.00 7.62 S ATOM 226 N GLY E 43 10.407 34.963 18.747 1.00 7.14 N ATOM 227 CA GLY E 43 11.608 35.397 18.068 1.00 7.78 C ATOM 228 C GLY E 43 11.488 36.885 17.786 1.00 6.83 C ATOM 229 O GLY E 43 10.496 37.529 18.161 1.00 6.93 O ATOM 230 N GLY E 44 12.508 37.435 17.138 1.00 7.24 N ATOM 231 CA GLY E 44 12.525 38.842 16.784 1.00 6.78 C ATOM 232 C GLY E 44 13.685 39.097 15.842 1.00 5.86 C ATOM 233 O GLY E 44 14.484 38.198 15.595 1.00 6.37 O ATOM 234 N SER E 45 13.764 40.311 15.304 1.00 7.31 N ATOM 235 CA SER E 45 14.838 40.682 14.383 1.00 7.43 C ATOM 236 C SER E 45 15.502 41.981 14.819 1.00 8.08 C ATOM 237 O SER E 45 14.823 42.952 15.152 1.00 8.58 O ATOM 238 CB SER E 45 14.291 40.872 12.963 1.00 8.07 C ATOM 239 OG SER E 45 13.652 39.706 12.491 1.00 8.50 O ATOM 240 N LEU E 46 16.831 42.000 14.817 1.00 7.81 N ATOM 241 CA LEU E 46 17.569 43.201 15.188 1.00 8.74 C ATOM 242 C LEU E 46 17.610 44.126 13.969 1.00 10.08 C ATOM 243 O LEU E 46 18.089 43.721 12.909 1.00 10.23 O ATOM 244 CB LEU E 46 18.995 42.830 15.613 1.00 10.01 C ATOM 245 CG LEU E 46 19.843 43.969 16.177 1.00 10.25 C ATOM 246 CD1 LEU E 46 19.286 44.406 17.524 1.00 10.76 C ATOM 247 CD2 LEU E 46 21.289 43.521 16.315 1.00 11.29 C ATOM 248 N ILE E 47 17.066 45.338 14.098 1.00 11.15 N ATOM 249 CA ILE E 47 17.066 46.288 12.978 1.00 12.06 C ATOM 250 C ILE E 47 18.088 47.418 13.114 1.00 14.48 C ATOM 251 O ILE E 47 18.398 48.099 12.139 1.00 15.08 O ATOM 252 CB ILE E 47 15.653 46.811 12.642 1.00 13.02 C ATOM 253 CG1 ILE E 47 14.978 47.392 13.884 1.00 12.58 C ATOM 254 CG2 ILE E 47 14.821 45.681 12.036 1.00 12.30 C ATOM 255 CD1 ILE E 47 13.644 48.055 13.590 1.00 14.45 C ATOM 256 N ASN E 48 18.554 47.645 14.340 1.00 13.82 N ATOM 257 CA ASN E 48 19.622 48.606 14.635 1.00 15.93 C ATOM 258 C ASN E 48 20.197 48.236 16.003 1.00 16.20 C ATOM 259 O ASN E 48 19.606 47.415 16.705 1.00 15.24 O ATOM 260 CB ASN E 48 19.234 50.097 14.447 1.00 18.13 C ATOM 261 CG ASN E 48 18.417 50.685 15.589 1.00 19.24 C ATOM 262 OD1 ASN E 48 18.523 50.277 16.742 1.00 20.90 O ATOM 263 ND2 ASN E 48 17.643 51.714 15.268 1.00 21.61 N ATOM 264 N ASP E 49 21.348 48.786 16.379 1.00 15.76 N ATOM 265 CA ASP E 49 21.961 48.389 17.649 1.00 16.26 C ATOM 266 C ASP E 49 21.181 48.585 18.950 1.00 15.39 C ATOM 267 O ASP E 49 21.632 48.150 20.007 1.00 16.01 O ATOM 268 CB ASP E 49 23.400 48.923 17.781 1.00 18.16 C ATOM 269 CG ASP E 49 23.478 50.438 17.936 1.00 20.27 C ATOM 270 OD1 ASP E 49 22.437 51.117 18.071 1.00 19.67 O ATOM 271 OD2 ASP E 49 24.616 50.954 17.934 1.00 25.35 O ATOM 272 N GLN E 50 19.999 49.190 18.868 1.00 15.28 N ATOM 273 CA GLN E 50 19.178 49.420 20.055 1.00 14.97 C ATOM 274 C GLN E 50 17.728 48.992 19.884 1.00 13.42 C ATOM 275 O GLN E 50 16.940 49.103 20.823 1.00 12.86 O ATOM 276 CB GLN E 50 19.176 50.902 20.436 1.00 17.02 C ATOM 277 CG GLN E 50 20.500 51.466 20.893 1.00 22.17 C ATOM 278 CD GLN E 50 20.371 52.905 21.344 1.00 24.25 C ATOM 279 OE1 GLN E 50 20.082 53.176 22.509 1.00 25.99 O ATOM 280 NE2 GLN E 50 20.568 53.839 20.417 1.00 26.21 N ATOM 281 N TRP E 51 17.369 48.506 18.699 1.00 12.05 N ATOM 282 CA TRP E 51 15.983 48.128 18.447 1.00 10.66 C ATOM 283 C TRP E 51 15.753 46.785 17.780 1.00 9.75 C ATOM 284 O TRP E 51 16.456 46.401 16.846 1.00 11.08 O ATOM 285 CB TRP E 51 15.294 49.210 17.613 1.00 10.93 C ATOM 286 CG TRP E 51 15.092 50.514 18.329 1.00 11.54 C ATOM 287 CD1 TRP E 51 15.992 51.533 18.451 1.00 13.28 C ATOM 288 CD2 TRP E 51 13.893 50.958 18.975 1.00 12.27 C ATOM 289 NE1 TRP E 51 15.427 52.589 19.128 1.00 12.33 N ATOM 290 CE2 TRP E 51 14.138 52.263 19.459 1.00 12.09 C ATOM 291 CE3 TRP E 51 12.633 50.383 19.186 1.00 12.75 C ATOM 292 CZ2 TRP E 51 13.166 53.004 20.141 1.00 12.49 C ATOM 293 CZ3 TRP E 51 11.665 51.119 19.864 1.00 11.64 C ATOM 294 CH2 TRP E 51 11.939 52.419 20.333 1.00 12.29 C ATOM 295 N VAL E 52 14.712 46.108 18.251 1.00 8.86 N ATOM 296 CA VAL E 52 14.291 44.813 17.742 1.00 8.07 C ATOM 297 C VAL E 52 12.831 44.915 17.321 1.00 8.31 C ATOM 298 O VAL E 52 12.042 45.617 17.957 1.00 8.51 O ATOM 299 CB VAL E 52 14.414 43.717 18.838 1.00 8.43 C ATOM 300 CG1 VAL E 52 13.602 42.472 18.462 1.00 8.91 C ATOM 301 CG2 VAL E 52 15.870 43.348 19.040 1.00 9.15 C ATOM 302 N VAL E 53 12.481 44.250 16.225 1.00 7.99 N ATOM 303 CA VAL E 53 11.099 44.242 15.769 1.00 8.97 C ATOM 304 C VAL E 53 10.580 42.809 15.902 1.00 8.42 C ATOM 305 O VAL E 53 11.295 41.845 15.611 1.00 9.17 O ATOM 306 CB VAL E 53 10.960 44.796 14.324 1.00 10.90 C ATOM 307 CG1 VAL E 53 11.603 43.870 13.324 1.00 11.95 C ATOM 308 CG2 VAL E 53 9.496 45.052 13.992 1.00 13.70 C ATOM 309 N SER E 54 9.359 42.682 16.413 1.00 7.42 N ATOM 310 CA SER E 54 8.735 41.382 16.634 1.00 7.14 C ATOM 311 C SER E 54 7.229 41.487 16.382 1.00 7.25 C ATOM 312 O SER E 54 6.773 42.441 15.756 1.00 6.78 O ATOM 313 CB SER E 54 9.020 40.934 18.077 1.00 7.68 C ATOM 314 OG SER E 54 8.583 39.610 18.318 1.00 8.17 O ATOM 315 N ALA E 55 6.469 40.496 16.842 1.00 6.62 N ATOM 316 CA ALA E 55 5.017 40.476 16.676 1.00 7.06 C ATOM 317 C ALA E 55 4.353 41.074 17.911 1.00 7.28 C ATOM 318 O ALA E 55 4.841 40.888 19.025 1.00 7.18 O ATOM 319 CB ALA E 55 4.530 39.042 16.463 1.00 8.13 C ATOM 320 N ALA E 56 3.241 41.780 17.717 1.00 6.26 N ATOM 321 CA ALA E 56 2.526 42.388 18.838 1.00 6.98 C ATOM 322 C ALA E 56 1.968 41.343 19.812 1.00 7.17 C ATOM 323 O ALA E 56 1.910 41.593 21.017 1.00 7.27 O ATOM 324 CB ALA E 56 1.413 43.294 18.328 1.00 6.77 C ATOM 325 N HIS E 57 1.584 40.167 19.314 1.00 7.57 N ATOM 326 CA HIS E 57 1.057 39.148 20.221 1.00 7.24 C ATOM 327 C HIS E 57 2.153 38.523 21.097 1.00 7.23 C ATOM 328 O HIS E 57 1.861 37.698 21.966 1.00 8.76 O ATOM 329 CB HIS E 57 0.224 38.087 19.487 1.00 8.26 C ATOM 330 CG HIS E 57 1.030 37.092 18.715 1.00 7.39 C ATOM 331 ND1 HIS E 57 1.321 37.248 17.376 1.00 9.07 N ATOM 332 CD2 HIS E 57 1.561 35.901 19.078 1.00 6.51 C ATOM 333 CE1 HIS E 57 1.991 36.194 16.949 1.00 7.69 C ATOM 334 NE2 HIS E 57 2.150 35.361 17.962 1.00 6.91 N ATOM 335 N CYS E 58 3.406 38.921 20.865 1.00 8.27 N ATOM 336 CA CYS E 58 4.534 38.447 21.669 1.00 7.45 C ATOM 337 C CYS E 58 4.763 39.398 22.843 1.00 8.22 C ATOM 338 O CYS E 58 5.758 39.283 23.555 1.00 9.23 O ATOM 339 CB CYS E 58 5.826 38.363 20.846 1.00 7.35 C ATOM 340 SG CYS E 58 5.894 37.015 19.627 1.00 8.93 S ATOM 341 N TYR E 59 3.854 40.348 23.036 1.00 8.24 N ATOM 342 CA TYR E 59 3.998 41.290 24.139 1.00 8.58 C ATOM 343 C TYR E 59 3.967 40.632 25.515 1.00 8.26 C ATOM 344 O TYR E 59 3.142 39.764 25.789 1.00 8.89 O ATOM 345 CB TYR E 59 2.896 42.360 24.109 1.00 9.04 C ATOM 346 CG TYR E 59 2.866 43.199 25.375 1.00 10.71 C ATOM 347 CD1 TYR E 59 3.735 44.275 25.538 1.00 12.30 C ATOM 348 CD2 TYR E 59 2.032 42.859 26.443 1.00 11.02 C ATOM 349 CE1 TYR E 59 3.784 44.987 26.733 1.00 12.53 C ATOM 350 CE2 TYR E 59 2.077 43.566 27.645 1.00 12.24 C ATOM 351 CZ TYR E 59 2.955 44.623 27.781 1.00 12.95 C ATOM 352 OH TYR E 59 3.029 45.308 28.972 1.00 15.59 O ATOM 353 N LYS E 60 4.878 41.087 26.371 1.00 10.44 N ATOM 354 CA LYS E 60 4.976 40.677 27.772 1.00 10.93 C ATOM 355 C LYS E 60 5.541 41.914 28.469 1.00 11.96 C ATOM 356 O LYS E 60 6.320 42.656 27.866 1.00 12.38 O ATOM 357 CB LYS E 60 5.892 39.466 27.964 1.00 11.44 C ATOM 358 CG LYS E 60 5.260 38.147 27.543 1.00 11.66 C ATOM 359 CD LYS E 60 6.018 36.954 28.095 1.00 13.96 C ATOM 360 CE LYS E 60 5.317 35.657 27.738 1.00 15.00 C ATOM 361 NZ LYS E 60 5.953 34.483 28.389 1.00 21.74 N ATOM 362 N SER E 61 5.122 42.165 29.709 1.00 12.27 N ATOM 363 CA SER E 61 5.585 43.345 30.442 1.00 14.43 C ATOM 364 C SER E 61 7.090 43.364 30.661 1.00 13.18 C ATOM 365 O SER E 61 7.700 44.431 30.751 1.00 14.49 O ATOM 366 CB SER E 61 4.851 43.478 31.782 1.00 15.18 C ATOM 367 OG SER E 61 5.095 42.361 32.614 1.00 19.61 O ATOM 368 N ARG E 62 7.679 42.178 30.754 1.00 12.67 N ATOM 369 CA ARG E 62 9.115 42.054 30.939 1.00 12.34 C ATOM 370 C ARG E 62 9.659 41.102 29.891 1.00 10.76 C ATOM 371 O ARG E 62 9.160 39.989 29.738 1.00 11.20 O ATOM 372 CB ARG E 62 9.429 41.502 32.315 1.00 14.67 C ATOM 373 CG ARG E 62 9.029 42.383 33.444 1.00 17.56 C ATOM 374 CD ARG E 62 9.667 41.809 34.676 1.00 19.35 C ATOM 375 CZ ARG E 62 7.150 42.148 36.601 1.00 30.39 C ATOM 376 N ILE E 63 10.668 41.557 29.155 1.00 9.01 N ATOM 377 CA ILE E 63 11.272 40.744 28.107 1.00 8.86 C ATOM 378 C ILE E 63 12.783 40.902 28.083 1.00 9.16 C ATOM 379 O ILE E 63 13.302 42.011 28.210 1.00 10.42 O ATOM 380 CB ILE E 63 10.742 41.149 26.695 1.00 8.74 C ATOM 381 CG1 ILE E 63 9.238 40.879 26.575 1.00 9.36 C ATOM 382 CG2 ILE E 63 11.495 40.389 25.598 1.00 9.88 C ATOM 383 CD1 ILE E 63 8.648 41.309 25.239 1.00 10.97 C ATOM 384 N GLN E 64 13.482 39.776 27.975 1.00 8.09 N ATOM 385 CA GLN E 64 14.932 39.789 27.856 1.00 7.93 C ATOM 386 C GLN E 64 15.232 39.347 26.429 1.00 8.28 C ATOM 387 O GLN E 64 14.701 38.337 25.958 1.00 8.76 O ATOM 388 CB GLN E 64 15.600 38.821 28.839 1.00 9.81 C ATOM 389 CG GLN E 64 17.119 38.769 28.665 1.00 9.66 C ATOM 390 CD GLN E 64 17.793 37.780 29.591 1.00 10.30 C ATOM 391 OE1 GLN E 64 17.623 36.573 29.459 1.00 11.02 O ATOM 392 NE2 GLN E 64 18.587 38.292 30.521 1.00 14.25 N ATOM 393 N VAL E 66 16.044 40.128 25.730 1.00 7.78 N ATOM 394 CA VAL E 66 16.411 39.808 24.358 1.00 9.22 C ATOM 395 C VAL E 66 17.753 39.084 24.350 1.00 8.76 C ATOM 396 O VAL E 66 18.722 39.541 24.961 1.00 9.07 O ATOM 397 CB VAL E 66 16.502 41.086 23.493 1.00 8.62 C ATOM 398 CG1 VAL E 66 16.907 40.735 22.064 1.00 10.60 C ATOM 399 CG2 VAL E 66 15.167 41.823 23.504 1.00 9.98 C ATOM 400 N ARG E 67 17.798 37.940 23.677 1.00 7.93 N ATOM 401 CA ARG E 67 19.025 37.157 23.590 1.00 8.24 C ATOM 402 C ARG E 67 19.510 37.131 22.147 1.00 9.16 C ATOM 403 O ARG E 67 18.834 36.608 21.257 1.00 8.84 O ATOM 404 CB ARG E 67 18.799 35.746 24.145 1.00 9.10 C ATOM 405 CG ARG E 67 18.367 35.765 25.606 1.00 8.74 C ATOM 406 CD ARG E 67 18.241 34.375 26.207 1.00 8.82 C ATOM 407 NE ARG E 67 17.945 34.475 27.638 1.00 8.45 N ATOM 408 CZ ARG E 67 17.934 33.451 28.488 1.00 8.87 C ATOM 409 NH1 ARG E 67 18.193 32.219 28.067 1.00 8.57 N ATOM 410 NH2 ARG E 67 17.717 33.677 29.779 1.00 9.27 N ATOM 411 N LEU E 68 20.675 37.734 21.930 1.00 9.34 N ATOM 412 CA LEU E 68 21.273 37.836 20.604 1.00 9.24 C ATOM 413 C LEU E 68 22.486 36.922 20.462 1.00 10.30 C ATOM 414 O LEU E 68 23.072 36.499 21.459 1.00 11.53 O ATOM 415 CB LEU E 68 21.672 39.291 20.336 1.00 11.25 C ATOM 416 CG LEU E 68 20.596 40.346 20.628 1.00 10.62 C ATOM 417 CD1 LEU E 68 20.759 40.895 22.040 1.00 12.36 C ATOM 418 CD2 LEU E 68 20.685 41.479 19.622 1.00 13.61 C ATOM 419 N GLY E 69 22.853 36.612 19.220 1.00 10.03 N ATOM 420 CA GLY E 69 24.002 35.752 18.973 1.00 10.11 C ATOM 421 C GLY E 69 23.797 34.299 19.359 1.00 10.09 C ATOM 422 O GLY E 69 24.761 33.556 19.560 1.00 13.03 O ATOM 423 N GLU E 70 22.537 33.884 19.431 1.00 9.99 N ATOM 424 CA GLU E 70 22.187 32.521 19.805 1.00 9.99 C ATOM 425 C GLU E 70 22.146 31.516 18.664 1.00 11.50 C ATOM 426 O GLU E 70 21.746 31.843 17.544 1.00 12.19 O ATOM 427 CB GLU E 70 20.805 32.508 20.469 1.00 8.91 C ATOM 428 CG GLU E 70 20.744 33.087 21.871 1.00 9.73 C ATOM 429 CD GLU E 70 21.148 32.089 22.942 1.00 10.21 C ATOM 430 OE1 GLU E 70 21.876 31.121 22.633 1.00 10.57 O ATOM 431 OE2 GLU E 70 20.722 32.276 24.101 1.00 10.43 O ATOM 432 N HIS E 71 22.572 30.293 18.963 1.00 10.34 N ATOM 433 CA HIS E 71 22.488 29.190 18.013 1.00 10.54 C ATOM 434 C HIS E 71 21.743 28.106 18.786 1.00 10.87 C ATOM 435 O HIS E 71 20.640 27.718 18.411 1.00 10.33 O ATOM 436 CB HIS E 71 23.854 28.687 17.548 1.00 12.75 C ATOM 437 CG HIS E 71 23.757 27.621 16.501 1.00 14.92 C ATOM 438 ND1 HIS E 71 22.975 27.762 15.375 1.00 18.66 N ATOM 439 CD2 HIS E 71 24.292 26.379 16.434 1.00 16.72 C ATOM 440 CE1 HIS E 71 23.029 26.652 14.661 1.00 18.44 C ATOM 441 NE2 HIS E 71 23.821 25.797 15.282 1.00 18.84 N ATOM 442 N ASN E 72 22.342 27.644 19.883 1.00 11.20 N ATOM 443 CA ASN E 72 21.721 26.650 20.756 1.00 10.85 C ATOM 444 C ASN E 72 21.166 27.451 21.941 1.00 10.61 C ATOM 445 O ASN E 72 21.931 27.969 22.753 1.00 11.10 O ATOM 446 CB ASN E 72 22.760 25.630 21.247 1.00 11.28 C ATOM 447 CG ASN E 72 22.139 24.501 22.061 1.00 10.90 C ATOM 448 OD1 ASN E 72 21.139 24.695 22.757 1.00 10.97 O ATOM 449 ND2 ASN E 72 22.730 23.314 21.976 1.00 12.04 N ATOM 450 N ILE E 73 19.844 27.585 22.025 1.00 10.54 N ATOM 451 CA ILE E 73 19.243 28.364 23.111 1.00 10.21 C ATOM 452 C ILE E 73 19.335 27.719 24.486 1.00 10.36 C ATOM 453 O ILE E 73 19.071 28.373 25.494 1.00 10.19 O ATOM 454 CB ILE E 73 17.759 28.702 22.847 1.00 12.20 C ATOM 455 CG1 ILE E 73 16.981 27.440 22.466 1.00 9.97 C ATOM 456 CG2 ILE E 73 17.655 29.820 21.825 1.00 12.01 C ATOM 457 CD1 ILE E 73 15.473 27.620 22.502 1.00 14.50 C ATOM 458 N ASN E 74 19.744 26.455 24.525 1.00 8.93 N ATOM 459 CA ASN E 74 19.849 25.721 25.781 1.00 9.22 C ATOM 460 C ASN E 74 21.270 25.489 26.275 1.00 9.50 C ATOM 461 O ASN E 74 21.479 24.777 27.262 1.00 10.34 O ATOM 462 CB ASN E 74 19.102 24.393 25.666 1.00 10.25 C ATOM 463 CG ASN E 74 17.610 24.587 25.524 1.00 12.94 C ATOM 464 OD1 ASN E 74 17.003 25.360 26.269 1.00 14.93 O ATOM 465 ND2 ASN E 74 17.008 23.900 24.561 1.00 14.41 N ATOM 466 N VAL E 75 22.241 26.091 25.594 1.00 9.22 N ATOM 467 CA VAL E 75 23.646 25.959 25.965 1.00 10.16 C ATOM 468 C VAL E 75 24.354 27.309 25.859 1.00 10.31 C ATOM 469 O VAL E 75 24.156 28.052 24.889 1.00 10.19 O ATOM 470 CB VAL E 75 24.386 24.941 25.046 1.00 10.93 C ATOM 471 CG1 VAL E 75 25.872 24.887 25.394 1.00 12.33 C ATOM 472 CG2 VAL E 75 23.769 23.556 25.174 1.00 11.09 C ATOM 473 N LEU E 76 25.143 27.645 26.879 1.00 9.75 N ATOM 474 CA LEU E 76 25.916 28.884 26.878 1.00 10.69 C ATOM 475 C LEU E 76 27.125 28.606 25.983 1.00 13.33 C ATOM 476 O LEU E 76 28.049 27.883 26.366 1.00 13.09 O ATOM 477 CB LEU E 76 26.362 29.244 28.297 1.00 11.57 C ATOM 478 CG LEU E 76 27.165 30.531 28.477 1.00 12.14 C ATOM 479 CD1 LEU E 76 26.309 31.738 28.125 1.00 12.77 C ATOM 480 CD2 LEU E 76 27.646 30.624 29.919 1.00 13.16 C ATOM 481 N GLU E 77 27.088 29.171 24.779 1.00 14.42 N ATOM 482 CA GLU E 77 28.121 28.968 23.766 1.00 18.00 C ATOM 483 C GLU E 77 29.306 29.927 23.791 1.00 20.21 C ATOM 484 O GLU E 77 30.410 29.556 23.385 1.00 21.94 O ATOM 485 CB GLU E 77 27.463 28.981 22.384 1.00 17.95 C ATOM 486 CG GLU E 77 26.296 28.011 22.285 1.00 19.74 C ATOM 487 CD GLU E 77 25.302 28.379 21.203 1.00 20.59 C ATOM 488 OE1 GLU E 77 24.568 29.387 21.369 1.00 17.87 O ATOM 489 OE2 GLU E 77 25.237 27.637 20.198 1.00 19.57 O ATOM 490 N GLY E 78 29.072 31.163 24.222 1.00 21.59 N ATOM 491 CA GLY E 78 30.150 32.136 24.288 1.00 25.34 C ATOM 492 C GLY E 78 30.047 33.314 23.337 1.00 25.57 C ATOM 493 O GLY E 78 30.932 34.168 23.313 1.00 28.25 O ATOM 494 N ASN E 79 28.981 33.368 22.547 1.00 25.75 N ATOM 495 CA ASN E 79 28.797 34.466 21.600 1.00 24.32 C ATOM 496 C ASN E 79 27.536 35.270 21.902 1.00 22.26 C ATOM 497 O ASN E 79 27.274 36.294 21.269 1.00 21.83 O ATOM 498 CB ASN E 79 28.725 33.921 20.170 1.00 27.08 C ATOM 499 CG ASN E 79 30.002 33.218 19.747 1.00 28.92 C ATOM 500 OD1 ASN E 79 31.082 33.810 19.754 1.00 31.75 O ATOM 501 ND2 ASN E 79 29.882 31.951 19.363 1.00 30.00 N ATOM 502 N GLU E 80 26.779 34.825 22.901 1.00 18.09 N ATOM 503 CA GLU E 80 25.526 35.477 23.260 1.00 14.35 C ATOM 504 C GLU E 80 25.623 36.808 23.984 1.00 13.90 C ATOM 505 O GLU E 80 26.574 37.081 24.717 1.00 15.43 O ATOM 506 CB GLU E 80 24.657 34.548 24.113 1.00 12.82 C ATOM 507 CG GLU E 80 24.467 33.152 23.558 1.00 12.25 C ATOM 508 CD GLU E 80 25.441 32.136 24.139 1.00 10.65 C ATOM 509 OE1 GLU E 80 26.532 32.528 24.603 1.00 12.40 O ATOM 510 OE2 GLU E 80 25.109 30.937 24.121 1.00 10.89 O ATOM 511 N GLN E 81 24.600 37.625 23.764 1.00 11.80 N ATOM 512 CA GLN E 81 24.460 38.917 24.412 1.00 11.47 C ATOM 513 C GLN E 81 23.043 38.928 24.973 1.00 11.93 C ATOM 514 O GLN E 81 22.079 38.670 24.248 1.00 12.48 O ATOM 515 CB GLN E 81 24.659 40.064 23.420 1.00 13.51 C ATOM 516 CG GLN E 81 26.106 40.239 22.978 1.00 14.13 C ATOM 517 CD GLN E 81 26.299 41.414 22.040 1.00 14.59 C ATOM 518 OE1 GLN E 81 25.880 42.533 22.332 1.00 15.92 O ATOM 519 NE2 GLN E 81 26.949 41.166 20.912 1.00 15.76 N ATOM 520 N APHE E 82 22.932 39.150 26.280 0.50 11.98 N ATOM 521 N BPHE E 82 22.937 39.161 26.278 0.50 11.55 N ATOM 522 CA APHE E 82 21.637 39.202 26.956 0.50 12.14 C ATOM 523 CA BPHE E 82 21.653 39.202 26.972 0.50 11.46 C ATOM 524 C APHE E 82 21.354 40.647 27.342 0.50 12.23 C ATOM 525 C BPHE E 82 21.355 40.650 27.347 0.50 11.80 C ATOM 526 O APHE E 82 22.111 41.251 28.105 0.50 13.23 O ATOM 527 O BPHE E 82 22.106 41.262 28.110 0.50 12.87 O ATOM 528 CB APHE E 82 21.644 38.341 28.227 0.50 12.34 C ATOM 529 CB BPHE E 82 21.709 38.359 28.255 0.50 10.68 C ATOM 530 CG APHE E 82 21.608 36.855 27.974 0.50 13.55 C ATOM 531 CG BPHE E 82 22.099 36.918 28.038 0.50 10.96 C ATOM 532 CD1APHE E 82 21.906 36.324 26.722 0.50 14.21 C ATOM 533 CD1BPHE E 82 23.411 36.572 27.719 0.50 10.24 C ATOM 534 CD2APHE E 82 21.288 35.982 29.009 0.50 13.75 C ATOM 535 CD2BPHE E 82 21.158 35.903 28.176 0.50 10.83 C ATOM 536 CE1APHE E 82 21.887 34.947 26.508 0.50 14.20 C ATOM 537 CE1BPHE E 82 23.780 35.239 27.551 0.50 10.15 C ATOM 538 CE2APHE E 82 21.267 34.606 28.806 0.50 13.92 C ATOM 539 CE2BPHE E 82 21.516 34.568 28.011 0.50 10.43 C ATOM 540 CZ APHE E 82 21.567 34.086 27.553 0.50 15.37 C ATOM 541 CZ BPHE E 82 22.829 34.234 27.694 0.50 9.48 C ATOM 542 N VAL E 83 20.270 41.200 26.807 1.00 11.92 N ATOM 543 CA VAL E 83 19.890 42.586 27.094 1.00 12.85 C ATOM 544 C VAL E 83 18.391 42.696 27.375 1.00 13.18 C ATOM 545 O VAL E 83 17.573 42.144 26.643 1.00 13.55 O ATOM 546 CB VAL E 83 20.244 43.538 25.915 1.00 13.50 C ATOM 547 CG1 VAL E 83 20.014 44.984 26.322 1.00 15.83 C ATOM 548 CG2 VAL E 83 21.689 43.343 25.467 1.00 17.07 C ATOM 549 N ASN E 84 18.032 43.420 28.430 1.00 14.48 N ATOM 550 CA ASN E 84 16.627 43.592 28.783 1.00 15.39 C ATOM 551 C ASN E 84 15.926 44.646 27.931 1.00 16.17 C ATOM 552 O ASN E 84 16.562 45.559 27.402 1.00 15.50 O ATOM 553 CB ASN E 84 16.481 43.939 30.269 1.00 18.79 C ATOM 554 CG ASN E 84 16.617 42.721 31.170 1.00 21.35 C ATOM 555 OD1 ASN E 84 16.650 41.581 30.700 1.00 23.25 O ATOM 556 ND2 ASN E 84 16.682 42.959 32.475 1.00 25.00 N ATOM 557 N ALA E 85 14.616 44.488 27.772 1.00 14.45 N ATOM 558 CA ALA E 85 13.812 45.430 27.001 1.00 14.77 C ATOM 559 C ALA E 85 13.508 46.650 27.862 1.00 16.78 C ATOM 560 O ALA E 85 12.915 46.526 28.936 1.00 18.12 O ATOM 561 CB ALA E 85 12.515 44.772 26.556 1.00 14.59 C ATOM 562 N ALA E 86 13.931 47.822 27.397 1.00 14.82 N ATOM 563 CA ALA E 86 13.699 49.073 28.116 1.00 15.10 C ATOM 564 C ALA E 86 12.335 49.650 27.751 1.00 15.44 C ATOM 565 O ALA E 86 11.645 50.230 28.592 1.00 16.65 O ATOM 566 CB ALA E 86 14.797 50.074 27.791 1.00 14.27 C ATOM 567 N LYS E 87 11.966 49.508 26.481 1.00 14.50 N ATOM 568 CA LYS E 87 10.686 49.997 25.982 1.00 15.01 C ATOM 569 C LYS E 87 10.079 48.935 25.076 1.00 13.60 C ATOM 570 O LYS E 87 10.786 48.288 24.305 1.00 14.18 O ATOM 571 CB LYS E 87 10.868 51.304 25.199 1.00 16.53 C ATOM 572 CG LYS E 87 11.474 52.445 26.005 1.00 18.43 C ATOM 573 CD LYS E 87 11.528 53.737 25.205 1.00 20.48 C ATOM 574 CE LYS E 87 12.154 54.857 26.023 1.00 22.86 C ATOM 575 NZ LYS E 87 12.139 56.159 25.299 1.00 23.77 N ATOM 576 N ILE E 88 8.777 48.718 25.216 1.00 13.46 N ATOM 577 CA ILE E 88 8.067 47.737 24.402 1.00 13.37 C ATOM 578 C ILE E 88 6.868 48.479 23.837 1.00 14.18 C ATOM 579 O ILE E 88 5.961 48.869 24.575 1.00 16.00 O ATOM 580 CB ILE E 88 7.610 46.520 25.235 1.00 13.95 C ATOM 581 CG1 ILE E 88 8.809 45.899 25.959 1.00 14.35 C ATOM 582 CG2 ILE E 88 6.968 45.480 24.325 1.00 15.35 C ATOM 583 CD1 ILE E 88 8.440 44.832 26.971 1.00 15.86 C ATOM 584 N ILE E 89 6.877 48.676 22.524 1.00 13.58 N ATOM 585 CA ILE E 89 5.830 49.431 21.851 1.00 12.78 C ATOM 586 C ILE E 89 5.112 48.658 20.751 1.00 13.86 C ATOM 587 O ILE E 89 5.682 48.392 19.692 1.00 12.71 O ATOM 588 CB ILE E 89 6.421 50.720 21.224 1.00 13.14 C ATOM 589 CG1 ILE E 89 7.203 51.515 22.277 1.00 12.71 C ATOM 590 CG2 ILE E 89 5.319 51.566 20.612 1.00 13.61 C ATOM 591 CD1 ILE E 89 8.040 52.642 21.702 1.00 14.48 C ATOM 592 N ALYS E 90 3.861 48.294 21.014 0.50 13.29 N ATOM 593 N BLYS E 90 3.862 48.289 21.013 0.50 13.45 N ATOM 594 CA ALYS E 90 3.043 47.568 20.048 0.50 13.69 C ATOM 595 CA BLYS E 90 3.061 47.570 20.032 0.50 14.01 C ATOM 596 C ALYS E 90 2.428 48.576 19.081 0.50 13.68 C ATOM 597 C BLYS E 90 2.475 48.585 19.061 0.50 13.93 C ATOM 598 O ALYS E 90 2.270 49.751 19.423 0.50 14.06 O ATOM 599 O BLYS E 90 2.405 49.778 19.367 0.50 14.71 O ATOM 600 CB ALYS E 90 1.932 46.802 20.769 0.50 14.12 C ATOM 601 CB BLYS E 90 1.922 46.805 20.714 0.50 14.65 C ATOM 602 CG ALYS E 90 2.445 45.801 21.791 0.50 14.55 C ATOM 603 CG BLYS E 90 2.385 45.833 21.784 0.50 15.39 C ATOM 604 CD ALYS E 90 1.372 45.418 22.799 0.50 13.96 C ATOM 605 CD BLYS E 90 1.333 44.784 22.095 0.50 15.96 C ATOM 606 CE ALYS E 90 0.289 44.562 22.176 0.50 14.75 C ATOM 607 CE BLYS E 90 0.156 45.355 22.846 0.50 15.69 C ATOM 608 NZ ALYS E 90 -0.752 44.207 23.183 0.50 14.19 N ATOM 609 NZ BLYS E 90 -0.833 44.283 23.167 0.50 14.91 N ATOM 610 N HIS E 91 2.078 48.120 17.880 1.00 13.29 N ATOM 611 CA HIS E 91 1.475 49.003 16.888 1.00 12.83 C ATOM 612 C HIS E 91 0.154 49.487 17.490 1.00 12.42 C ATOM 613 O HIS E 91 -0.601 48.697 18.057 1.00 12.92 O ATOM 614 CB HIS E 91 1.212 48.270 15.574 1.00 12.63 C ATOM 615 CG HIS E 91 0.814 49.181 14.456 1.00 13.06 C ATOM 616 ND1 HIS E 91 -0.477 49.633 14.288 1.00 13.10 N ATOM 617 CD2 HIS E 91 1.550 49.769 13.484 1.00 12.32 C ATOM 618 CE1 HIS E 91 -0.519 50.466 13.262 1.00 13.40 C ATOM 619 NE2 HIS E 91 0.698 50.565 12.757 1.00 13.26 N ATOM 620 N PRO E 92 -0.128 50.794 17.396 1.00 13.57 N ATOM 621 CA PRO E 92 -1.370 51.343 17.956 1.00 13.76 C ATOM 622 C PRO E 92 -2.676 50.740 17.439 1.00 13.73 C ATOM 623 O PRO E 92 -3.690 50.770 18.139 1.00 13.89 O ATOM 624 CB PRO E 92 -1.261 52.835 17.633 1.00 14.24 C ATOM 625 CG PRO E 92 -0.406 52.862 16.396 1.00 15.10 C ATOM 626 CD PRO E 92 0.655 51.846 16.725 1.00 13.99 C ATOM 627 N ASN E 93 -2.644 50.163 16.240 1.00 13.19 N ATOM 628 CA ASN E 93 -3.839 49.572 15.645 1.00 13.13 C ATOM 629 C ASN E 93 -3.885 48.044 15.688 1.00 10.62 C ATOM 630 O ASN E 93 -4.676 47.421 14.976 1.00 11.07 O ATOM 631 CB ASN E 93 -4.006 50.050 14.199 1.00 16.00 C ATOM 632 CG ASN E 93 -4.118 51.562 14.087 1.00 19.32 C ATOM 633 OD1 ASN E 93 -3.813 52.139 13.042 1.00 23.00 O ATOM 634 ND2 ASN E 93 -4.554 52.210 15.161 1.00 18.38 N ATOM 635 N PHE E 94 -3.046 47.438 16.522 1.00 10.74 N ATOM 636 CA PHE E 94 -3.032 45.982 16.640 1.00 10.08 C ATOM 637 C PHE E 94 -4.366 45.453 17.156 1.00 10.21 C ATOM 638 O PHE E 94 -4.903 45.954 18.147 1.00 11.05 O ATOM 639 CB PHE E 94 -1.915 45.521 17.587 1.00 9.80 C ATOM 640 CG PHE E 94 -1.951 44.041 17.903 1.00 10.85 C ATOM 641 CD1 PHE E 94 -1.884 43.091 16.885 1.00 9.85 C ATOM 642 CD2 PHE E 94 -2.050 43.599 19.223 1.00 10.81 C ATOM 643 CE1 PHE E 94 -1.914 41.725 17.174 1.00 13.06 C ATOM 644 CE2 PHE E 94 -2.082 42.238 19.522 1.00 11.35 C ATOM 645 CZ PHE E 94 -2.013 41.298 18.496 1.00 13.09 C ATOM 646 N ASP E 95 -4.902 44.450 16.469 1.00 10.81 N ATOM 647 CA ASP E 95 -6.158 43.820 16.871 1.00 10.50 C ATOM 648 C ASP E 95 -5.795 42.398 17.291 1.00 12.54 C ATOM 649 O ASP E 95 -5.384 41.587 16.465 1.00 10.16 O ATOM 650 CB ASP E 95 -7.153 43.820 15.715 1.00 10.72 C ATOM 651 CG ASP E 95 -8.537 43.371 16.138 1.00 12.19 C ATOM 652 OD1 ASP E 95 -8.694 42.199 16.524 1.00 12.01 O ATOM 653 OD2 ASP E 95 -9.478 44.186 16.065 1.00 16.93 O ATOM 654 N AARG E 96 -5.959 42.103 18.577 0.50 12.20 N ATOM 655 N BARG E 96 -5.963 42.092 18.574 0.50 11.86 N ATOM 656 CA AARG E 96 -5.623 40.790 19.109 0.50 14.05 C ATOM 657 CA BARG E 96 -5.615 40.776 19.094 0.50 13.43 C ATOM 658 C AARG E 96 -6.497 39.622 18.643 0.50 13.92 C ATOM 659 C BARG E 96 -6.523 39.618 18.676 0.50 13.38 C ATOM 660 O AARG E 96 -6.164 38.458 18.912 0.50 15.01 O ATOM 661 O BARG E 96 -6.266 38.468 19.048 0.50 14.05 O ATOM 662 CB AARG E 96 -5.594 40.842 20.641 0.50 15.84 C ATOM 663 CB BARG E 96 -5.437 40.812 20.623 0.50 14.95 C ATOM 664 CG AARG E 96 -6.893 41.287 21.317 0.50 17.32 C ATOM 665 CG BARG E 96 -6.638 41.290 21.415 0.50 15.33 C ATOM 666 CD AARG E 96 -6.662 41.618 22.795 0.50 20.09 C ATOM 667 CD BARG E 96 -6.295 41.341 22.904 0.50 16.23 C ATOM 668 NE AARG E 96 -7.917 41.852 23.505 0.50 21.07 N ATOM 669 NE BARG E 96 -5.437 42.475 23.252 0.50 16.30 N ATOM 670 CZ AARG E 96 -8.418 41.036 24.426 0.50 22.54 C ATOM 671 CZ BARG E 96 -4.345 42.394 24.010 0.50 16.22 C ATOM 672 NH1AARG E 96 -7.768 39.931 24.755 0.50 22.52 N ATOM 673 NH1BARG E 96 -3.953 41.227 24.503 0.50 16.64 N ATOM 674 NH2AARG E 96 -9.562 41.332 25.027 0.50 22.48 N ATOM 675 NH2BARG E 96 -3.667 43.494 24.315 0.50 16.34 N ATOM 676 N LYS E 97 -7.558 39.907 17.887 1.00 13.88 N ATOM 677 CA LYS E 97 -8.466 38.879 17.405 1.00 14.22 C ATOM 678 C LYS E 97 -8.327 38.610 15.906 1.00 14.02 C ATOM 679 O LYS E 97 -8.265 37.461 15.496 1.00 15.16 O ATOM 680 CB LYS E 97 -9.890 39.223 17.817 1.00 16.41 C ATOM 681 CG LYS E 97 -10.991 38.490 17.056 1.00 20.36 C ATOM 682 N THR E 98 -8.237 39.671 15.108 1.00 13.23 N ATOM 683 CA THR E 98 -8.075 39.534 13.658 1.00 11.59 C ATOM 684 C THR E 98 -6.583 39.417 13.332 1.00 11.51 C ATOM 685 O THR E 98 -6.195 38.987 12.242 1.00 11.97 O ATOM 686 CB THR E 98 -8.619 40.752 12.883 1.00 11.61 C ATOM 687 OG1 THR E 98 -7.800 41.897 13.150 1.00 10.51 O ATOM 688 CG2 THR E 98 -10.061 41.048 13.278 1.00 13.25 C ATOM 689 N LEU E 99 -5.767 39.894 14.266 1.00 10.62 N ATOM 690 CA LEU E 99 -4.315 39.896 14.151 1.00 10.30 C ATOM 691 C LEU E 99 -3.774 40.917 13.144 1.00 8.77 C ATOM 692 O LEU E 99 -2.611 40.858 12.739 1.00 9.90 O ATOM 693 CB LEU E 99 -3.785 38.489 13.876 1.00 13.15 C ATOM 694 CG LEU E 99 -4.225 37.477 14.937 1.00 16.34 C ATOM 695 CD1 LEU E 99 -3.738 36.088 14.596 1.00 18.58 C ATOM 696 CD2 LEU E 99 -3.706 37.901 16.304 1.00 18.72 C ATOM 697 N ASN E 100 -4.616 41.881 12.781 1.00 9.35 N ATOM 698 CA ASN E 100 -4.215 42.941 11.859 1.00 9.44 C ATOM 699 C ASN E 100 -3.235 43.845 12.605 1.00 8.73 C ATOM 700 O ASN E 100 -3.435 44.139 13.785 1.00 9.59 O ATOM 701 CB ASN E 100 -5.449 43.739 11.432 1.00 9.91 C ATOM 702 CG ASN E 100 -5.180 44.660 10.257 1.00 11.93 C ATOM 703 OD1 ASN E 100 -4.398 44.339 9.363 1.00 11.68 O ATOM 704 ND2 ASN E 100 -5.856 45.804 10.239 1.00 12.85 N ATOM 705 N ASN E 101 -2.170 44.258 11.919 1.00 9.21 N ATOM 706 CA ASN E 101 -1.128 45.122 12.485 1.00 8.53 C ATOM 707 C ASN E 101 -0.353 44.420 13.603 1.00 8.77 C ATOM 708 O ASN E 101 -0.026 45.034 14.624 1.00 8.98 O ATOM 709 CB ASN E 101 -1.717 46.441 13.013 1.00 9.11 C ATOM 710 CG ASN E 101 -2.534 47.188 11.969 1.00 9.50 C ATOM 711 OD1 ASN E 101 -3.731 47.410 12.149 1.00 14.34 O ATOM 712 ND2 ASN E 101 -1.891 47.588 10.884 1.00 9.08 N ATOM 713 N ASP E 102 -0.030 43.146 13.383 1.00 7.82 N ATOM 714 CA ASP E 102 0.696 42.349 14.372 1.00 7.48 C ATOM 715 C ASP E 102 2.196 42.640 14.327 1.00 7.31 C ATOM 716 O ASP E 102 2.990 41.834 13.841 1.00 7.15 O ATOM 717 CB ASP E 102 0.417 40.859 14.148 1.00 6.89 C ATOM 718 CG ASP E 102 0.869 39.990 15.308 1.00 7.47 C ATOM 719 OD1 ASP E 102 1.178 40.526 16.395 1.00 7.48 O ATOM 720 OD2 ASP E 102 0.905 38.759 15.132 1.00 8.67 O ATOM 721 N ILE E 103 2.575 43.794 14.861 1.00 7.65 N ATOM 722 CA ILE E 103 3.970 44.206 14.873 1.00 7.18 C ATOM 723 C ILE E 103 4.265 44.985 16.153 1.00 8.71 C ATOM 724 O ILE E 103 3.407 45.707 16.675 1.00 9.51 O ATOM 725 CB ILE E 103 4.317 45.012 13.583 1.00 7.56 C ATOM 726 CG1 ILE E 103 5.816 45.296 13.498 1.00 7.48 C ATOM 727 CG2 ILE E 103 3.481 46.286 13.488 1.00 7.56 C ATOM 728 CD1 ILE E 103 6.243 45.829 12.134 1.00 11.88 C ATOM 729 N MET E 104 5.482 44.813 16.657 1.00 8.44 N ATOM 730 CA MET E 104 5.899 45.440 17.898 1.00 9.26 C ATOM 731 C MET E 104 7.382 45.789 17.870 1.00 8.92 C ATOM 732 O MET E 104 8.183 45.090 17.247 1.00 10.05 O ATOM 733 CB MET E 104 5.604 44.457 19.038 1.00 10.33 C ATOM 734 CG MET E 104 6.038 44.872 20.422 1.00 11.31 C ATOM 735 SD MET E 104 5.533 43.606 21.611 1.00 11.07 S ATOM 736 CE MET E 104 6.774 42.365 21.348 1.00 10.61 C ATOM 737 N LEU E 105 7.736 46.893 18.522 1.00 9.61 N ATOM 738 CA LEU E 105 9.122 47.329 18.601 1.00 10.17 C ATOM 739 C LEU E 105 9.613 47.230 20.037 1.00 10.17 C ATOM 740 O LEU E 105 8.863 47.496 20.980 1.00 10.94 O ATOM 741 CB LEU E 105 9.266 48.769 18.105 1.00 10.64 C ATOM 742 CG LEU E 105 9.229 48.971 16.589 1.00 9.73 C ATOM 743 CD1 LEU E 105 9.115 50.448 16.273 1.00 11.84 C ATOM 744 CD2 LEU E 105 10.487 48.395 15.955 1.00 9.46 C ATOM 745 N ILE E 106 10.868 46.825 20.189 1.00 9.76 N ATOM 746 CA ILE E 106 11.499 46.689 21.495 1.00 10.70 C ATOM 747 C ILE E 106 12.794 47.486 21.514 1.00 11.19 C ATOM 748 O ILE E 106 13.665 47.273 20.670 1.00 11.47 O ATOM 749 CB ILE E 106 11.864 45.213 21.805 1.00 10.81 C ATOM 750 CG1 ILE E 106 10.601 44.362 21.926 1.00 10.47 C ATOM 751 CG2 ILE E 106 12.689 45.127 23.091 1.00 12.37 C ATOM 752 CD1 ILE E 106 10.879 42.879 22.044 1.00 11.68 C ATOM 753 N LYS E 107 12.903 48.437 22.439 1.00 12.54 N ATOM 754 CA LYS E 107 14.137 49.202 22.562 1.00 12.06 C ATOM 755 C LYS E 107 14.960 48.513 23.642 1.00 12.60 C ATOM 756 O LYS E 107 14.448 48.217 24.722 1.00 12.87 O ATOM 757 CB LYS E 107 13.886 50.657 22.961 1.00 13.61 C ATOM 758 CG LYS E 107 15.176 51.472 22.964 1.00 14.97 C ATOM 759 CD LYS E 107 14.967 52.911 23.383 1.00 16.23 C ATOM 760 CE LYS E 107 16.251 53.706 23.197 1.00 19.31 C ATOM 761 NZ LYS E 107 16.121 55.106 23.694 1.00 21.21 N ATOM 762 N LEU E 108 16.216 48.222 23.327 1.00 13.36 N ATOM 763 CA LEU E 108 17.117 47.556 24.265 1.00 14.38 C ATOM 764 C LEU E 108 17.622 48.528 25.331 1.00 15.79 C ATOM 765 O LEU E 108 17.809 49.714 25.057 1.00 16.08 O ATOM 766 CB LEU E 108 18.290 46.938 23.502 1.00 14.35 C ATOM 767 CG LEU E 108 17.885 46.020 22.343 1.00 15.22 C ATOM 768 CD1 LEU E 108 19.114 45.474 21.644 1.00 16.08 C ATOM 769 CD2 LEU E 108 17.011 44.887 22.853 1.00 15.08 C ATOM 770 N SER E 109 17.836 48.022 26.545 1.00 16.47 N ATOM 771 CA SER E 109 18.309 48.850 27.657 1.00 19.04 C ATOM 772 C SER E 109 19.699 49.427 27.402 1.00 19.59 C ATOM 773 O SER E 109 20.084 50.436 27.997 1.00 20.38 O ATOM 774 CB SER E 109 18.291 48.056 28.968 1.00 19.67 C ATOM 775 OG SER E 109 19.106 46.902 28.881 1.00 23.44 O ATOM 776 N SER E 110 20.440 48.782 26.508 1.00 19.60 N ATOM 777 CA SER E 110 21.778 49.222 26.141 1.00 20.95 C ATOM 778 C SER E 110 22.073 48.752 24.722 1.00 20.72 C ATOM 779 O SER E 110 21.561 47.720 24.283 1.00 20.17 O ATOM 780 CB SER E 110 22.821 48.657 27.113 1.00 22.25 C ATOM 781 OG SER E 110 22.806 47.240 27.121 1.00 26.20 O ATOM 782 N PRO E 111 22.857 49.534 23.964 1.00 20.88 N ATOM 783 CA PRO E 111 23.203 49.169 22.587 1.00 20.56 C ATOM 784 C PRO E 111 24.008 47.871 22.560 1.00 20.38 C ATOM 785 O PRO E 111 24.894 47.666 23.395 1.00 21.18 O ATOM 786 CB PRO E 111 24.057 50.351 22.128 1.00 21.92 C ATOM 787 CG PRO E 111 23.521 51.494 22.938 1.00 21.23 C ATOM 788 CD PRO E 111 23.375 50.873 24.296 1.00 21.33 C ATOM 789 N VAL E 112 23.676 46.980 21.631 1.00 19.20 N ATOM 790 CA VAL E 112 24.401 45.718 21.518 1.00 18.78 C ATOM 791 C VAL E 112 25.671 45.887 20.696 1.00 18.59 C ATOM 792 O VAL E 112 25.807 46.845 19.929 1.00 18.91 O ATOM 793 CB VAL E 112 23.539 44.592 20.894 1.00 19.27 C ATOM 794 CG1 VAL E 112 22.384 44.244 21.817 1.00 20.04 C ATOM 795 CG2 VAL E 112 23.029 45.001 19.521 1.00 19.74 C ATOM 796 N LYS E 113 26.614 44.973 20.890 1.00 17.63 N ATOM 797 CA LYS E 113 27.872 45.003 20.157 1.00 17.69 C ATOM 798 C LYS E 113 27.688 44.232 18.856 1.00 17.97 C ATOM 799 O LYS E 113 27.391 43.035 18.869 1.00 17.45 O ATOM 800 CB LYS E 113 28.995 44.379 20.990 1.00 18.13 C ATOM 801 CG LYS E 113 29.277 45.102 22.298 1.00 20.35 C ATOM 802 N LEU E 114 27.829 44.931 17.735 1.00 17.39 N ATOM 803 CA LEU E 114 27.670 44.309 16.428 1.00 18.56 C ATOM 804 C LEU E 114 28.918 43.566 15.976 1.00 19.31 C ATOM 805 O LEU E 114 30.031 44.082 16.067 1.00 20.19 O ATOM 806 CB LEU E 114 27.276 45.354 15.383 1.00 19.27 C ATOM 807 CG LEU E 114 25.968 46.098 15.659 1.00 18.32 C ATOM 808 CD1 LEU E 114 25.766 47.193 14.623 1.00 19.88 C ATOM 809 CD2 LEU E 114 24.797 45.123 15.651 1.00 18.10 C ATOM 810 N ASN E 115 28.716 42.340 15.505 1.00 19.04 N ATOM 811 CA ASN E 115 29.798 41.496 15.014 1.00 19.29 C ATOM 812 C ASN E 115 29.244 40.513 13.986 1.00 19.54 C ATOM 813 O ASN E 115 28.097 40.639 13.559 1.00 20.10 O ATOM 814 CB ASN E 115 30.505 40.770 16.173 1.00 18.95 C ATOM 815 CG ASN E 115 29.545 40.007 17.071 1.00 20.19 C ATOM 816 OD1 ASN E 115 28.759 39.186 16.606 1.00 19.66 O ATOM 817 ND2 ASN E 115 29.627 40.262 18.373 1.00 20.08 N ATOM 818 N ALA E 116 30.054 39.541 13.583 1.00 20.60 N ATOM 819 CA ALA E 116 29.627 38.559 12.590 1.00 22.00 C ATOM 820 C ALA E 116 28.466 37.682 13.058 1.00 22.08 C ATOM 821 O ALA E 116 27.742 37.112 12.239 1.00 23.89 O ATOM 822 CB ALA E 116 30.807 37.691 12.178 1.00 22.71 C ATOM 823 N ARG E 117 28.278 37.603 14.373 1.00 21.95 N ATOM 824 CA ARG E 117 27.225 36.780 14.961 1.00 20.40 C ATOM 825 C ARG E 117 26.015 37.573 15.454 1.00 18.81 C ATOM 826 O ARG E 117 24.963 37.001 15.743 1.00 16.20 O ATOM 827 CB ARG E 117 27.821 35.938 16.088 1.00 24.33 C ATOM 828 CG ARG E 117 29.105 35.243 15.661 1.00 27.75 C ATOM 829 CD ARG E 117 29.680 34.372 16.749 1.00 30.73 C ATOM 830 NE ARG E 117 30.914 33.718 16.323 1.00 34.21 N ATOM 831 CZ ARG E 117 32.125 34.258 16.433 1.00 36.02 C ATOM 832 NH1 ARG E 117 33.190 33.587 16.015 1.00 37.40 N ATOM 833 NH2 ARG E 117 32.276 35.462 16.971 1.00 37.78 N ATOM 834 N VAL E 118 26.174 38.889 15.561 1.00 14.89 N ATOM 835 CA VAL E 118 25.098 39.777 15.994 1.00 14.45 C ATOM 836 C VAL E 118 25.095 40.939 15.004 1.00 14.24 C ATOM 837 O VAL E 118 25.950 41.823 15.069 1.00 15.48 O ATOM 838 CB VAL E 118 25.337 40.302 17.434 1.00 13.83 C ATOM 839 CG1 VAL E 118 24.241 41.280 17.837 1.00 14.19 C ATOM 840 CG2 VAL E 118 25.386 39.139 18.413 1.00 14.53 C ATOM 841 N ALA E 119 24.148 40.915 14.072 1.00 12.69 N ATOM 842 CA ALA E 119 24.063 41.947 13.047 1.00 12.85 C ATOM 843 C ALA E 119 22.634 42.374 12.759 1.00 11.92 C ATOM 844 O ALA E 119 21.684 41.655 13.061 1.00 12.16 O ATOM 845 CB ALA E 119 24.725 41.455 11.764 1.00 14.46 C ATOM 846 N THR E 120 22.493 43.543 12.148 1.00 11.44 N ATOM 847 CA THR E 120 21.181 44.076 11.813 1.00 11.40 C ATOM 848 C THR E 120 20.703 43.608 10.440 1.00 10.88 C ATOM 849 O THR E 120 21.500 43.181 9.600 1.00 10.87 O ATOM 850 CB THR E 120 21.195 45.619 11.812 1.00 12.78 C ATOM 851 OG1 THR E 120 22.081 46.087 10.785 1.00 12.93 O ATOM 852 CG2 THR E 120 21.678 46.153 13.156 1.00 13.37 C ATOM 853 N VAL E 121 19.388 43.638 10.245 1.00 10.08 N ATOM 854 CA VAL E 121 18.793 43.281 8.962 1.00 9.82 C ATOM 855 C VAL E 121 18.073 44.526 8.456 1.00 10.78 C ATOM 856 O VAL E 121 17.443 45.255 9.226 1.00 10.63 O ATOM 857 CB VAL E 121 17.812 42.078 9.055 1.00 10.60 C ATOM 858 CG1 VAL E 121 16.626 42.397 9.957 1.00 10.89 C ATOM 859 CG2 VAL E 121 17.335 41.682 7.660 1.00 11.06 C ATOM 860 N ALA E 122 18.205 44.785 7.162 1.00 11.31 N ATOM 861 CA ALA E 122 17.588 45.951 6.548 1.00 10.79 C ATOM 862 C ALA E 122 16.074 45.848 6.434 1.00 10.35 C ATOM 863 O ALA E 122 15.524 44.759 6.270 1.00 10.81 O ATOM 864 CB ALA E 122 18.189 46.182 5.169 1.00 11.58 C ATOM 865 N LEU E 123 15.411 46.996 6.546 1.00 11.47 N ATOM 866 CA LEU E 123 13.965 47.067 6.399 1.00 11.92 C ATOM 867 C LEU E 123 13.704 47.060 4.891 1.00 12.97 C ATOM 868 O LEU E 123 14.603 47.365 4.103 1.00 13.29 O ATOM 869 CB LEU E 123 13.420 48.351 7.030 1.00 12.60 C ATOM 870 CG LEU E 123 13.443 48.441 8.557 1.00 13.35 C ATOM 871 CD1 LEU E 123 12.852 49.777 8.994 1.00 14.65 C ATOM 872 CD2 LEU E 123 12.651 47.288 9.157 1.00 14.59 C ATOM 873 N PRO E 124 12.477 46.716 4.469 1.00 13.08 N ATOM 874 CA PRO E 124 12.156 46.681 3.038 1.00 13.55 C ATOM 875 C PRO E 124 12.305 48.013 2.314 1.00 13.22 C ATOM 876 O PRO E 124 11.993 49.069 2.867 1.00 12.75 O ATOM 877 CB PRO E 124 10.683 46.266 3.022 1.00 15.83 C ATOM 878 CG PRO E 124 10.485 45.562 4.305 1.00 14.81 C ATOM 879 CD PRO E 124 11.295 46.367 5.275 1.00 12.34 C ATOM 880 N ASER E 125 12.807 47.959 1.083 0.50 13.29 N ATOM 881 N BSER E 125 12.798 47.953 1.080 0.50 13.60 N ATOM 882 CA ASER E 125 12.952 49.161 0.267 0.50 12.80 C ATOM 883 CA BSER E 125 12.951 49.145 0.251 0.50 13.45 C ATOM 884 C ASER E 125 11.606 49.411 -0.416 0.50 12.76 C ATOM 885 C BSER E 125 11.600 49.411 -0.405 0.50 13.12 C ATOM 886 O ASER E 125 11.297 50.532 -0.819 0.50 11.93 O ATOM 887 O BSER E 125 11.280 50.541 -0.775 0.50 12.29 O ATOM 888 CB ASER E 125 14.064 48.987 -0.771 0.50 13.04 C ATOM 889 CB BSER E 125 14.008 48.913 -0.828 0.50 13.99 C ATOM 890 OG ASER E 125 13.794 47.910 -1.647 0.50 13.05 O ATOM 891 OG BSER E 125 15.286 48.709 -0.255 0.50 16.21 O ATOM 892 N SER E 127 10.817 48.343 -0.530 1.00 13.08 N ATOM 893 CA SER E 127 9.480 48.372 -1.122 1.00 13.75 C ATOM 894 C SER E 127 8.902 46.978 -0.885 1.00 13.96 C ATOM 895 O SER E 127 9.606 46.085 -0.399 1.00 14.20 O ATOM 896 CB SER E 127 9.528 48.664 -2.627 1.00 14.75 C ATOM 897 OG SER E 127 10.203 47.646 -3.340 1.00 16.83 O ATOM 898 N CYS E 128 7.627 46.786 -1.205 1.00 13.31 N ATOM 899 CA CYS E 128 7.002 45.481 -1.016 1.00 14.10 C ATOM 900 C CYS E 128 7.474 44.493 -2.076 1.00 15.86 C ATOM 901 O CYS E 128 7.498 44.810 -3.266 1.00 17.59 O ATOM 902 CB CYS E 128 5.476 45.601 -1.054 1.00 14.20 C ATOM 903 SG CYS E 128 4.771 46.647 0.258 1.00 13.89 S ATOM 904 N ALA E 129 7.897 43.312 -1.632 1.00 15.65 N ATOM 905 CA ALA E 129 8.360 42.272 -2.542 1.00 15.96 C ATOM 906 C ALA E 129 7.144 41.574 -3.146 1.00 17.27 C ATOM 907 O ALA E 129 6.151 41.331 -2.458 1.00 16.86 O ATOM 908 CB ALA E 129 9.236 41.271 -1.795 1.00 16.13 C ATOM 909 N PRO E 130 7.197 41.264 -4.450 1.00 17.25 N ATOM 910 CA PRO E 130 6.086 40.596 -5.132 1.00 17.73 C ATOM 911 C PRO E 130 5.978 39.103 -4.836 1.00 17.56 C ATOM 912 O PRO E 130 6.917 38.485 -4.330 1.00 16.17 O ATOM 913 CB PRO E 130 6.405 40.843 -6.604 1.00 18.68 C ATOM 914 CG PRO E 130 7.890 40.776 -6.625 1.00 18.17 C ATOM 915 CD PRO E 130 8.272 41.596 -5.404 1.00 17.16 C ATOM 916 N ALA E 132 4.816 38.534 -5.145 1.00 17.37 N ATOM 917 CA ALA E 132 4.581 37.111 -4.945 1.00 16.56 C ATOM 918 C ALA E 132 5.617 36.341 -5.759 1.00 16.09 C ATOM 919 O ALA E 132 5.988 36.757 -6.862 1.00 17.13 O ATOM 920 CB ALA E 132 3.174 36.747 -5.393 1.00 16.45 C ATOM 921 N GLY E 133 6.109 35.242 -5.198 1.00 13.86 N ATOM 922 CA GLY E 133 7.112 34.447 -5.884 1.00 13.58 C ATOM 923 C GLY E 133 8.519 34.697 -5.370 1.00 13.04 C ATOM 924 O GLY E 133 9.431 33.923 -5.663 1.00 14.23 O ATOM 925 N THR E 134 8.707 35.787 -4.626 1.00 12.33 N ATOM 926 CA THR E 134 10.018 36.112 -4.063 1.00 12.14 C ATOM 927 C THR E 134 10.385 35.053 -3.023 1.00 11.58 C ATOM 928 O THR E 134 9.586 34.751 -2.136 1.00 11.96 O ATOM 929 CB THR E 134 10.011 37.492 -3.373 1.00 11.96 C ATOM 930 OG1 THR E 134 9.634 38.504 -4.317 1.00 13.61 O ATOM 931 CG2 THR E 134 11.394 37.823 -2.818 1.00 12.15 C ATOM 932 N GLN E 135 11.577 34.476 -3.154 1.00 11.13 N ATOM 933 CA GLN E 135 12.050 33.450 -2.224 1.00 10.60 C ATOM 934 C GLN E 135 12.607 34.118 -0.967 1.00 10.71 C ATOM 935 O GLN E 135 13.347 35.099 -1.051 1.00 11.41 O ATOM 936 CB GLN E 135 13.122 32.577 -2.890 1.00 11.40 C ATOM 937 CG GLN E 135 13.538 31.346 -2.082 1.00 14.06 C ATOM 938 CD GLN E 135 12.468 30.265 -2.014 1.00 14.95 C ATOM 939 OE1 GLN E 135 11.287 30.517 -2.255 1.00 16.40 O ATOM 940 NE2 GLN E 135 12.884 29.047 -1.685 1.00 16.21 N ATOM 941 N CYS E 136 12.270 33.563 0.194 1.00 9.63 N ATOM 942 CA CYS E 136 12.702 34.136 1.466 1.00 9.18 C ATOM 943 C CYS E 136 13.219 33.096 2.447 1.00 8.86 C ATOM 944 O CYS E 136 13.089 31.897 2.223 1.00 9.29 O ATOM 945 CB CYS E 136 11.529 34.875 2.109 1.00 9.84 C ATOM 946 SG CYS E 136 10.666 36.013 0.980 1.00 11.37 S ATOM 947 N LEU E 137 13.809 33.579 3.538 1.00 8.15 N ATOM 948 CA LEU E 137 14.336 32.721 4.590 1.00 7.76 C ATOM 949 C LEU E 137 13.587 33.003 5.887 1.00 7.79 C ATOM 950 O LEU E 137 13.565 34.141 6.364 1.00 7.96 O ATOM 951 CB LEU E 137 15.830 32.974 4.810 1.00 8.34 C ATOM 952 CG LEU E 137 16.469 32.122 5.916 1.00 8.95 C ATOM 953 CD1 LEU E 137 16.512 30.662 5.501 1.00 10.02 C ATOM 954 CD2 LEU E 137 17.869 32.619 6.220 1.00 9.86 C ATOM 955 N ILE E 138 12.962 31.960 6.428 1.00 6.80 N ATOM 956 CA ILE E 138 12.208 32.040 7.679 1.00 7.20 C ATOM 957 C ILE E 138 13.027 31.288 8.729 1.00 6.48 C ATOM 958 O ILE E 138 13.609 30.244 8.437 1.00 8.05 O ATOM 959 CB ILE E 138 10.822 31.371 7.539 1.00 7.09 C ATOM 960 CG1 ILE E 138 10.100 31.907 6.295 1.00 9.66 C ATOM 961 CG2 ILE E 138 9.983 31.639 8.787 1.00 8.37 C ATOM 962 CD1 ILE E 138 8.772 31.238 6.020 1.00 10.75 C ATOM 963 N SER E 139 13.083 31.804 9.952 1.00 6.63 N ATOM 964 CA SER E 139 13.876 31.132 10.974 1.00 7.01 C ATOM 965 C SER E 139 13.297 31.244 12.375 1.00 7.88 C ATOM 966 O SER E 139 12.493 32.130 12.655 1.00 8.39 O ATOM 967 CB SER E 139 15.317 31.656 10.941 1.00 7.95 C ATOM 968 OG SER E 139 15.356 33.072 10.988 1.00 6.83 O ATOM 969 N GLY E 140 13.695 30.314 13.240 1.00 7.79 N ATOM 970 CA GLY E 140 13.215 30.325 14.612 1.00 7.72 C ATOM 971 C GLY E 140 13.467 29.041 15.383 1.00 7.51 C ATOM 972 O GLY E 140 13.937 28.041 14.831 1.00 6.74 O ATOM 973 N TRP E 141 13.146 29.080 16.676 1.00 7.13 N ATOM 974 CA TRP E 141 13.310 27.930 17.567 1.00 7.07 C ATOM 975 C TRP E 141 11.959 27.306 17.931 1.00 7.24 C ATOM 976 O TRP E 141 11.818 26.667 18.978 1.00 8.52 O ATOM 977 CB TRP E 141 14.040 28.347 18.852 1.00 7.07 C ATOM 978 CG TRP E 141 15.495 28.654 18.680 1.00 7.12 C ATOM 979 CD1 TRP E 141 16.531 27.762 18.715 1.00 6.23 C ATOM 980 CD2 TRP E 141 16.087 29.949 18.504 1.00 6.13 C ATOM 981 NE1 TRP E 141 17.729 28.420 18.580 1.00 6.64 N ATOM 982 CE2 TRP E 141 17.489 29.762 18.446 1.00 6.78 C ATOM 983 CE3 TRP E 141 15.570 31.249 18.391 1.00 7.54 C ATOM 984 CZ2 TRP E 141 18.383 30.828 18.285 1.00 7.17 C ATOM 985 CZ3 TRP E 141 16.460 32.311 18.231 1.00 6.46 C ATOM 986 CH2 TRP E 141 17.854 32.092 18.179 1.00 6.75 C ATOM 987 N GLY E 142 10.968 27.475 17.061 1.00 6.11 N ATOM 988 CA GLY E 142 9.654 26.917 17.320 1.00 7.71 C ATOM 989 C GLY E 142 9.559 25.421 17.093 1.00 7.05 C ATOM 990 O GLY E 142 10.510 24.784 16.628 1.00 7.52 O ATOM 991 N ASN E 143 8.392 24.871 17.411 1.00 8.51 N ATOM 992 CA ASN E 143 8.096 23.445 17.259 1.00 9.36 C ATOM 993 C ASN E 143 8.450 22.980 15.842 1.00 10.42 C ATOM 994 O ASN E 143 8.174 23.680 14.868 1.00 10.29 O ATOM 995 CB ASN E 143 6.600 23.229 17.536 1.00 10.13 C ATOM 996 CG ASN E 143 6.202 21.762 17.601 1.00 10.30 C ATOM 997 OD1 ASN E 143 7.030 20.860 17.447 1.00 11.64 O ATOM 998 ND2 ASN E 143 4.916 21.521 17.836 1.00 13.30 N ATOM 999 N THR E 144 9.095 21.820 15.740 1.00 10.11 N ATOM 1000 CA THR E 144 9.487 21.268 14.444 1.00 11.34 C ATOM 1001 C THR E 144 8.520 20.199 13.931 1.00 12.21 C ATOM 1002 O THR E 144 8.722 19.642 12.852 1.00 12.87 O ATOM 1003 CB THR E 144 10.908 20.667 14.487 1.00 11.64 C ATOM 1004 OG1 THR E 144 10.937 19.561 15.401 1.00 13.53 O ATOM 1005 CG2 THR E 144 11.922 21.711 14.930 1.00 12.19 C ATOM 1006 N LEU E 145 7.467 19.921 14.697 1.00 12.42 N ATOM 1007 CA LEU E 145 6.485 18.910 14.311 1.00 14.26 C ATOM 1008 C LEU E 145 5.093 19.478 14.070 1.00 14.45 C ATOM 1009 O LEU E 145 4.643 20.368 14.792 1.00 14.92 O ATOM 1010 CB LEU E 145 6.395 17.822 15.384 1.00 15.28 C ATOM 1011 CG LEU E 145 7.659 17.017 15.687 1.00 17.16 C ATOM 1012 CD1 LEU E 145 7.390 16.055 16.834 1.00 18.15 C ATOM 1013 CD2 LEU E 145 8.109 16.264 14.446 1.00 18.33 C ATOM 1014 N SER E 146 4.416 18.947 13.054 1.00 15.16 N ATOM 1015 CA SER E 146 3.058 19.366 12.717 1.00 16.36 C ATOM 1016 C SER E 146 2.084 18.696 13.686 1.00 18.19 C ATOM 1017 O SER E 146 1.031 19.245 14.013 1.00 18.74 O ATOM 1018 CB SER E 146 2.719 18.968 11.280 1.00 17.21 C ATOM 1019 OG SER E 146 1.376 19.305 10.974 1.00 19.47 O ATOM 1020 N SER E 147 2.441 17.488 14.113 1.00 19.57 N ATOM 1021 CA SER E 147 1.644 16.721 15.062 1.00 21.89 C ATOM 1022 C SER E 147 2.572 16.372 16.219 1.00 21.30 C ATOM 1023 O SER E 147 3.608 15.740 16.024 1.00 23.03 O ATOM 1024 CB SER E 147 1.108 15.443 14.414 1.00 22.22 C ATOM 1025 OG SER E 147 0.309 14.715 15.331 1.00 27.14 O ATOM 1026 N GLY E 148 2.193 16.782 17.423 1.00 22.14 N ATOM 1027 CA GLY E 148 3.031 16.525 18.578 1.00 21.45 C ATOM 1028 C GLY E 148 3.958 17.708 18.779 1.00 21.47 C ATOM 1029 O GLY E 148 3.752 18.767 18.179 1.00 19.76 O ATOM 1030 N VAL E 149 5.007 17.530 19.573 1.00 21.30 N ATOM 1031 CA VAL E 149 5.921 18.632 19.830 1.00 21.67 C ATOM 1032 C VAL E 149 7.389 18.254 19.990 1.00 21.31 C ATOM 1033 O VAL E 149 7.731 17.200 20.532 1.00 21.81 O ATOM 1034 CB VAL E 149 5.458 19.452 21.070 1.00 22.19 C ATOM 1035 CG1 VAL E 149 5.487 18.588 22.324 1.00 24.03 C ATOM 1036 CG2 VAL E 149 6.313 20.699 21.249 1.00 23.06 C ATOM 1037 N ASN E 150 8.245 19.122 19.462 1.00 18.69 N ATOM 1038 CA ASN E 150 9.689 18.977 19.550 1.00 17.72 C ATOM 1039 C ASN E 150 10.281 20.373 19.472 1.00 17.03 C ATOM 1040 O ASN E 150 10.262 21.007 18.414 1.00 15.87 O ATOM 1041 CB ASN E 150 10.256 18.122 18.416 1.00 19.51 C ATOM 1042 CG ASN E 150 11.779 18.088 18.425 1.00 20.88 C ATOM 1043 OD1 ASN E 150 12.433 18.714 17.588 1.00 22.65 O ATOM 1044 ND2 ASN E 150 12.349 17.384 19.395 1.00 21.43 N ATOM 1045 N GLU E 151 10.751 20.867 20.612 1.00 14.98 N ATOM 1046 CA GLU E 151 11.363 22.186 20.690 1.00 14.68 C ATOM 1047 C GLU E 151 12.848 21.966 20.416 1.00 13.25 C ATOM 1048 O GLU E 151 13.542 21.305 21.192 1.00 13.05 O ATOM 1049 CB GLU E 151 11.158 22.783 22.086 1.00 15.77 C ATOM 1050 CG GLU E 151 9.726 22.677 22.628 1.00 19.84 C ATOM 1051 CD GLU E 151 8.721 23.594 21.936 1.00 21.78 C ATOM 1052 OE1 GLU E 151 9.021 24.141 20.852 1.00 22.50 O ATOM 1053 OE2 GLU E 151 7.611 23.765 22.492 1.00 21.80 O ATOM 1054 N PRO E 152 13.353 22.509 19.300 1.00 10.83 N ATOM 1055 CA PRO E 152 14.763 22.343 18.942 1.00 10.91 C ATOM 1056 C PRO E 152 15.750 23.178 19.747 1.00 11.46 C ATOM 1057 O PRO E 152 15.436 24.290 20.171 1.00 12.35 O ATOM 1058 CB PRO E 152 14.775 22.753 17.472 1.00 10.72 C ATOM 1059 CG PRO E 152 13.784 23.882 17.457 1.00 10.77 C ATOM 1060 CD PRO E 152 12.649 23.348 18.309 1.00 10.39 C ATOM 1061 N ASP E 153 16.935 22.620 19.985 1.00 12.18 N ATOM 1062 CA ASP E 153 17.981 23.350 20.693 1.00 11.96 C ATOM 1063 C ASP E 153 18.569 24.367 19.719 1.00 11.27 C ATOM 1064 O ASP E 153 18.814 25.518 20.074 1.00 9.64 O ATOM 1065 CB ASP E 153 19.131 22.424 21.116 1.00 14.36 C ATOM 1066 CG ASP E 153 18.758 21.472 22.236 1.00 16.89 C ATOM 1067 OD1 ASP E 153 17.857 21.784 23.039 1.00 18.02 O ATOM 1068 OD2 ASP E 153 19.404 20.404 22.320 1.00 21.56 O ATOM 1069 N LEU E 154 18.774 23.918 18.480 1.00 10.37 N ATOM 1070 CA LEU E 154 19.388 24.732 17.434 1.00 10.32 C ATOM 1071 C LEU E 154 18.431 25.483 16.517 1.00 8.31 C ATOM 1072 O LEU E 154 17.395 24.954 16.107 1.00 8.60 O ATOM 1073 CB LEU E 154 20.315 23.855 16.588 1.00 11.34 C ATOM 1074 CG LEU E 154 21.249 22.928 17.376 1.00 12.75 C ATOM 1075 CD1 LEU E 154 22.037 22.051 16.417 1.00 14.58 C ATOM 1076 CD2 LEU E 154 22.187 23.742 18.251 1.00 13.93 C ATOM 1077 N LEU E 155 18.823 26.702 16.158 1.00 7.82 N ATOM 1078 CA LEU E 155 18.014 27.545 15.283 1.00 8.04 C ATOM 1079 C LEU E 155 17.702 26.843 13.967 1.00 9.17 C ATOM 1080 O LEU E 155 18.600 26.296 13.318 1.00 9.40 O ATOM 1081 CB LEU E 155 18.731 28.866 15.002 1.00 8.51 C ATOM 1082 CG LEU E 155 17.956 29.859 14.135 1.00 7.43 C ATOM 1083 CD1 LEU E 155 16.701 30.332 14.854 1.00 8.33 C ATOM 1084 CD2 LEU E 155 18.846 31.040 13.813 1.00 8.96 C ATOM 1085 N GLN E 156 16.422 26.849 13.600 1.00 8.02 N ATOM 1086 CA GLN E 156 15.953 26.225 12.367 1.00 8.43 C ATOM 1087 C GLN E 156 15.710 27.264 11.276 1.00 8.22 C ATOM 1088 O GLN E 156 15.356 28.418 11.551 1.00 7.93 O ATOM 1089 CB GLN E 156 14.682 25.412 12.627 1.00 8.39 C ATOM 1090 CG GLN E 156 14.869 24.278 13.623 1.00 8.45 C ATOM 1091 CD GLN E 156 15.837 23.221 13.132 1.00 9.60 C ATOM 1092 OE1 GLN E 156 15.545 22.488 12.186 1.00 9.17 O ATOM 1093 NE2 GLN E 156 16.992 23.126 13.786 1.00 10.17 N ATOM 1094 N CYS E 157 15.904 26.826 10.035 1.00 8.22 N ATOM 1095 CA CYS E 157 15.749 27.661 8.851 1.00 8.00 C ATOM 1096 C CYS E 157 14.818 27.013 7.837 1.00 6.61 C ATOM 1097 O CYS E 157 14.705 25.789 7.774 1.00 8.21 O ATOM 1098 CB CYS E 157 17.115 27.876 8.198 1.00 7.49 C ATOM 1099 SG CYS E 157 18.100 29.236 8.886 1.00 9.57 S ATOM 1100 N LEU E 158 14.193 27.851 7.016 1.00 7.20 N ATOM 1101 CA LEU E 158 13.275 27.389 5.985 1.00 7.90 C ATOM 1102 C LEU E 158 13.241 28.370 4.825 1.00 7.92 C ATOM 1103 O LEU E 158 13.008 29.562 5.019 1.00 8.19 O ATOM 1104 CB LEU E 158 11.861 27.245 6.552 1.00 8.99 C ATOM 1105 CG LEU E 158 10.732 26.966 5.551 1.00 8.88 C ATOM 1106 CD1 LEU E 158 10.961 25.638 4.845 1.00 12.50 C ATOM 1107 CD2 LEU E 158 9.390 26.970 6.268 1.00 11.38 C ATOM 1108 N ASP E 159 13.517 27.871 3.624 1.00 7.79 N ATOM 1109 CA ASP E 159 13.458 28.710 2.433 1.00 8.29 C ATOM 1110 C ASP E 159 12.050 28.531 1.885 1.00 7.57 C ATOM 1111 O ASP E 159 11.601 27.406 1.652 1.00 9.21 O ATOM 1112 CB ASP E 159 14.509 28.282 1.413 1.00 8.74 C ATOM 1113 CG ASP E 159 15.918 28.497 1.917 1.00 10.30 C ATOM 1114 OD1 ASP E 159 16.354 29.665 1.991 1.00 14.65 O ATOM 1115 OD2 ASP E 159 16.578 27.499 2.254 1.00 14.56 O ATOM 1116 N ALA E 160 11.346 29.644 1.706 1.00 7.82 N ATOM 1117 CA ALA E 160 9.967 29.604 1.240 1.00 8.02 C ATOM 1118 C ALA E 160 9.612 30.890 0.514 1.00 8.35 C ATOM 1119 O ALA E 160 10.129 31.954 0.837 1.00 8.76 O ATOM 1120 CB ALA E 160 9.038 29.394 2.421 1.00 9.17 C ATOM 1121 N PRO E 161 8.689 30.810 -0.459 1.00 7.70 N ATOM 1122 CA PRO E 161 8.269 31.978 -1.236 1.00 8.96 C ATOM 1123 C PRO E 161 7.042 32.724 -0.726 1.00 8.31 C ATOM 1124 O PRO E 161 6.173 32.146 -0.069 1.00 8.37 O ATOM 1125 CB PRO E 161 7.962 31.362 -2.593 1.00 9.67 C ATOM 1126 CG PRO E 161 7.284 30.080 -2.201 1.00 8.40 C ATOM 1127 CD PRO E 161 8.141 29.568 -1.040 1.00 9.76 C ATOM 1128 N LEU E 162 6.982 34.013 -1.043 1.00 9.60 N ATOM 1129 CA LEU E 162 5.821 34.830 -0.705 1.00 9.65 C ATOM 1130 C LEU E 162 4.767 34.316 -1.685 1.00 11.46 C ATOM 1131 O LEU E 162 5.046 34.159 -2.878 1.00 11.35 O ATOM 1132 CB LEU E 162 6.096 36.309 -0.984 1.00 10.65 C ATOM 1133 CG LEU E 162 7.256 36.978 -0.246 1.00 10.72 C ATOM 1134 CD1 LEU E 162 7.334 38.440 -0.642 1.00 13.19 C ATOM 1135 CD2 LEU E 162 7.073 36.853 1.258 1.00 12.18 C ATOM 1136 N LEU E 163 3.579 34.011 -1.180 1.00 10.45 N ATOM 1137 CA LEU E 163 2.503 33.483 -2.014 1.00 10.89 C ATOM 1138 C LEU E 163 1.583 34.571 -2.552 1.00 11.01 C ATOM 1139 O LEU E 163 1.485 35.652 -1.971 1.00 10.84 O ATOM 1140 CB LEU E 163 1.686 32.466 -1.213 1.00 10.74 C ATOM 1141 CG LEU E 163 2.427 31.185 -0.823 1.00 11.91 C ATOM 1142 CD1 LEU E 163 1.654 30.435 0.242 1.00 12.01 C ATOM 1143 CD2 LEU E 163 2.628 30.311 -2.050 1.00 13.41 C ATOM 1144 N PRO E 164 0.936 34.319 -3.708 1.00 12.50 N ATOM 1145 CA PRO E 164 0.022 35.308 -4.289 1.00 12.38 C ATOM 1146 C PRO E 164 -1.083 35.576 -3.274 1.00 12.16 C ATOM 1147 O PRO E 164 -1.587 34.641 -2.644 1.00 12.37 O ATOM 1148 CB PRO E 164 -0.533 34.576 -5.514 1.00 13.33 C ATOM 1149 CG PRO E 164 0.602 33.705 -5.927 1.00 11.53 C ATOM 1150 CD PRO E 164 1.088 33.156 -4.600 1.00 13.22 C ATOM 1151 N GLN E 165 -1.449 36.843 -3.113 1.00 13.53 N ATOM 1152 CA GLN E 165 -2.485 37.220 -2.156 1.00 14.40 C ATOM 1153 C GLN E 165 -3.796 36.470 -2.402 1.00 14.70 C ATOM 1154 O GLN E 165 -4.518 36.158 -1.459 1.00 14.20 O ATOM 1155 CB GLN E 165 -2.709 38.736 -2.177 1.00 16.63 C ATOM 1156 CG GLN E 165 -3.340 39.305 -0.905 1.00 17.46 C ATOM 1157 CD GLN E 165 -2.401 39.296 0.303 1.00 18.63 C ATOM 1158 OE1 GLN E 165 -1.277 38.792 0.240 1.00 16.70 O ATOM 1159 NE2 GLN E 165 -2.864 39.870 1.409 1.00 17.27 N ATOM 1160 N ALA E 166 -4.080 36.142 -3.662 1.00 14.08 N ATOM 1161 CA ALA E 166 -5.297 35.408 -4.008 1.00 15.83 C ATOM 1162 C ALA E 166 -5.293 33.999 -3.411 1.00 15.44 C ATOM 1163 O ALA E 166 -6.339 33.490 -3.001 1.00 15.93 O ATOM 1164 CB ALA E 166 -5.466 35.344 -5.528 1.00 15.37 C ATOM 1165 N ASP E 167 -4.120 33.370 -3.373 1.00 14.77 N ATOM 1166 CA ASP E 167 -3.987 32.030 -2.808 1.00 14.88 C ATOM 1167 C ASP E 167 -4.089 32.104 -1.289 1.00 13.45 C ATOM 1168 O ASP E 167 -4.667 31.220 -0.655 1.00 13.79 O ATOM 1169 CB ASP E 167 -2.653 31.392 -3.209 1.00 16.89 C ATOM 1170 CG ASP E 167 -2.596 31.018 -4.683 1.00 19.67 C ATOM 1171 OD1 ASP E 167 -3.642 30.645 -5.257 1.00 21.88 O ATOM 1172 OD2 ASP E 167 -1.497 31.086 -5.265 1.00 22.03 O ATOM 1173 N CYS E 168 -3.529 33.168 -0.719 1.00 12.30 N ATOM 1174 CA CYS E 168 -3.562 33.385 0.724 1.00 12.86 C ATOM 1175 C CYS E 168 -5.021 33.552 1.151 1.00 13.47 C ATOM 1176 O CYS E 168 -5.476 32.938 2.122 1.00 13.20 O ATOM 1177 CB CYS E 168 -2.745 34.631 1.077 1.00 11.44 C ATOM 1178 SG CYS E 168 -2.424 34.874 2.853 1.00 12.41 S ATOM 1179 N AGLU E 169 -5.755 34.368 0.400 0.50 13.63 N ATOM 1180 N BGLU E 169 -5.758 34.358 0.389 0.50 13.56 N ATOM 1181 CA AGLU E 169 -7.160 34.623 0.685 0.50 13.71 C ATOM 1182 CA BGLU E 169 -7.173 34.618 0.645 0.50 13.58 C ATOM 1183 C AGLU E 169 -8.017 33.362 0.490 0.50 13.58 C ATOM 1184 C BGLU E 169 -8.005 33.346 0.501 0.50 13.46 C ATOM 1185 O AGLU E 169 -8.942 33.118 1.264 0.50 14.08 O ATOM 1186 O BGLU E 169 -8.920 33.098 1.289 0.50 13.88 O ATOM 1187 CB AGLU E 169 -7.654 35.812 -0.153 0.50 14.32 C ATOM 1188 CB BGLU E 169 -7.689 35.683 -0.330 0.50 14.03 C ATOM 1189 CG AGLU E 169 -6.918 37.119 0.202 0.50 16.23 C ATOM 1190 CG BGLU E 169 -9.197 35.911 -0.288 0.50 15.73 C ATOM 1191 CD AGLU E 169 -7.186 38.277 -0.754 0.50 18.38 C ATOM 1192 CD BGLU E 169 -9.674 36.460 1.041 0.50 16.81 C ATOM 1193 OE1AGLU E 169 -7.336 38.045 -1.973 0.50 20.75 O ATOM 1194 OE1BGLU E 169 -9.027 37.390 1.565 0.50 18.38 O ATOM 1195 OE2AGLU E 169 -7.212 39.433 -0.284 0.50 18.72 O ATOM 1196 OE2BGLU E 169 -10.701 35.969 1.555 0.50 16.57 O ATOM 1197 N ALA E 170 -7.672 32.536 -0.499 1.00 12.74 N ATOM 1198 CA ALA E 170 -8.399 31.289 -0.753 1.00 13.75 C ATOM 1199 C ALA E 170 -8.192 30.292 0.392 1.00 13.81 C ATOM 1200 O ALA E 170 -9.101 29.539 0.749 1.00 14.10 O ATOM 1201 CB ALA E 170 -7.953 30.674 -2.078 1.00 14.89 C ATOM 1202 N SER E 171 -6.997 30.315 0.978 1.00 12.54 N ATOM 1203 CA SER E 171 -6.653 29.430 2.088 1.00 12.58 C ATOM 1204 C SER E 171 -7.277 29.885 3.408 1.00 11.95 C ATOM 1205 O SER E 171 -7.612 29.059 4.258 1.00 12.47 O ATOM 1206 CB SER E 171 -5.133 29.355 2.255 1.00 12.67 C ATOM 1207 OG SER E 171 -4.525 28.687 1.164 1.00 13.57 O ATOM 1208 N TYR E 172 -7.426 31.196 3.569 1.00 11.19 N ATOM 1209 CA TYR E 172 -7.990 31.789 4.780 1.00 11.42 C ATOM 1210 C TYR E 172 -9.140 32.724 4.415 1.00 11.74 C ATOM 1211 O TYR E 172 -9.030 33.942 4.554 1.00 10.85 O ATOM 1212 CB TYR E 172 -6.906 32.579 5.524 1.00 11.17 C ATOM 1213 CG TYR E 172 -5.786 31.725 6.070 1.00 10.38 C ATOM 1214 CD1 TYR E 172 -4.621 31.494 5.331 1.00 10.03 C ATOM 1215 CD2 TYR E 172 -5.892 31.139 7.327 1.00 10.02 C ATOM 1216 CE1 TYR E 172 -3.593 30.692 5.842 1.00 10.48 C ATOM 1217 CE2 TYR E 172 -4.877 30.344 7.843 1.00 9.16 C ATOM 1218 CZ TYR E 172 -3.732 30.121 7.100 1.00 9.34 C ATOM 1219 OH TYR E 172 -2.741 29.321 7.619 1.00 8.94 O ATOM 1220 N PRO E 173 -10.276 32.157 3.969 1.00 13.91 N ATOM 1221 CA PRO E 173 -11.459 32.929 3.574 1.00 14.90 C ATOM 1222 C PRO E 173 -11.872 34.031 4.547 1.00 14.05 C ATOM 1223 O PRO E 173 -12.218 33.762 5.699 1.00 14.48 O ATOM 1224 CB PRO E 173 -12.542 31.856 3.466 1.00 16.23 C ATOM 1225 CG PRO E 173 -11.787 30.658 3.032 1.00 16.94 C ATOM 1226 CD PRO E 173 -10.557 30.711 3.908 1.00 14.06 C ATOM 1227 N GLY E 174 -11.811 35.271 4.065 1.00 13.31 N ATOM 1228 CA GLY E 174 -12.200 36.431 4.849 1.00 13.43 C ATOM 1229 C GLY E 174 -11.357 36.820 6.050 1.00 14.21 C ATOM 1230 O GLY E 174 -11.772 37.675 6.832 1.00 15.35 O ATOM 1231 N LYS E 175 -10.159 36.253 6.172 1.00 13.44 N ATOM 1232 CA LYS E 175 -9.288 36.548 7.312 1.00 14.06 C ATOM 1233 C LYS E 175 -7.985 37.277 6.981 1.00 13.75 C ATOM 1234 O LYS E 175 -7.236 37.646 7.884 1.00 14.35 O ATOM 1235 CB LYS E 175 -8.950 35.249 8.055 1.00 13.76 C ATOM 1236 CG LYS E 175 -10.159 34.460 8.534 1.00 14.43 C ATOM 1237 CD LYS E 175 -10.976 35.250 9.543 1.00 16.48 C ATOM 1238 CE LYS E 175 -12.182 34.454 10.020 1.00 19.70 C ATOM 1239 NZ LYS E 175 -12.999 35.224 11.000 1.00 21.29 N ATOM 1240 N ILE E 176 -7.721 37.495 5.697 1.00 12.50 N ATOM 1241 CA ILE E 176 -6.485 38.145 5.266 1.00 12.84 C ATOM 1242 C ILE E 176 -6.634 39.626 4.915 1.00 13.08 C ATOM 1243 O ILE E 176 -7.409 39.987 4.026 1.00 16.04 O ATOM 1244 CB ILE E 176 -5.891 37.406 4.040 1.00 12.28 C ATOM 1245 CG1 ILE E 176 -5.725 35.912 4.343 1.00 13.09 C ATOM 1246 CG2 ILE E 176 -4.560 38.036 3.620 1.00 13.44 C ATOM 1247 CD1 ILE E 176 -4.771 35.604 5.481 1.00 10.82 C ATOM 1248 N THR E 177 -5.883 40.481 5.605 1.00 11.36 N ATOM 1249 CA THR E 177 -5.919 41.918 5.328 1.00 12.25 C ATOM 1250 C THR E 177 -4.710 42.293 4.474 1.00 12.73 C ATOM 1251 O THR E 177 -3.827 41.465 4.236 1.00 13.43 O ATOM 1252 CB THR E 177 -5.872 42.771 6.616 1.00 11.48 C ATOM 1253 OG1 THR E 177 -4.565 42.694 7.202 1.00 11.48 O ATOM 1254 CG2 THR E 177 -6.910 42.292 7.616 1.00 12.40 C ATOM 1255 N ASP E 178 -4.652 43.551 4.048 1.00 13.83 N ATOM 1256 CA ASP E 178 -3.542 44.022 3.228 1.00 15.53 C ATOM 1257 C ASP E 178 -2.235 44.102 4.018 1.00 13.69 C ATOM 1258 O ASP E 178 -1.162 44.281 3.440 1.00 14.11 O ATOM 1259 CB ASP E 178 -3.875 45.385 2.612 1.00 19.15 C ATOM 1260 CG ASP E 178 -5.031 45.319 1.620 1.00 25.45 C ATOM 1261 OD1 ASP E 178 -5.358 46.371 1.030 1.00 30.41 O ATOM 1262 OD2 ASP E 178 -5.614 44.228 1.424 1.00 29.27 O ATOM 1263 N ASN E 179 -2.330 43.944 5.336 1.00 12.18 N ATOM 1264 CA ASN E 179 -1.156 43.994 6.203 1.00 10.32 C ATOM 1265 C ASN E 179 -0.612 42.602 6.490 1.00 9.75 C ATOM 1266 O ASN E 179 0.233 42.421 7.370 1.00 10.83 O ATOM 1267 CB ASN E 179 -1.504 44.702 7.511 1.00 10.57 C ATOM 1268 CG ASN E 179 -1.915 46.140 7.294 1.00 11.59 C ATOM 1269 OD1 ASN E 179 -1.237 46.888 6.592 1.00 12.97 O ATOM 1270 ND2 ASN E 179 -3.037 46.533 7.888 1.00 12.00 N ATOM 1271 N MET E 180 -1.100 41.626 5.732 1.00 8.96 N ATOM 1272 CA MET E 180 -0.691 40.236 5.888 1.00 8.50 C ATOM 1273 C MET E 180 -0.244 39.646 4.565 1.00 10.09 C ATOM 1274 O MET E 180 -0.688 40.078 3.500 1.00 10.63 O ATOM 1275 CB MET E 180 -1.858 39.402 6.416 1.00 9.70 C ATOM 1276 CG MET E 180 -2.381 39.846 7.763 1.00 10.03 C ATOM 1277 SD MET E 180 -3.877 38.960 8.195 1.00 9.64 S ATOM 1278 CE MET E 180 -4.382 39.893 9.633 1.00 8.71 C ATOM 1279 N VAL E 181 0.621 38.644 4.648 1.00 8.39 N ATOM 1280 CA VAL E 181 1.117 37.945 3.475 1.00 9.09 C ATOM 1281 C VAL E 181 1.375 36.487 3.833 1.00 8.91 C ATOM 1282 O VAL E 181 1.872 36.184 4.920 1.00 9.50 O ATOM 1283 CB VAL E 181 2.413 38.597 2.902 1.00 9.47 C ATOM 1284 CG1 VAL E 181 3.531 38.620 3.945 1.00 9.76 C ATOM 1285 CG2 VAL E 181 2.872 37.852 1.646 1.00 11.23 C ATOM 1286 N CYS E 182 0.944 35.576 2.966 1.00 9.24 N ATOM 1287 CA CYS E 182 1.187 34.158 3.203 1.00 8.07 C ATOM 1288 C CYS E 182 2.555 33.814 2.634 1.00 8.94 C ATOM 1289 O CYS E 182 2.939 34.313 1.577 1.00 10.02 O ATOM 1290 CB CYS E 182 0.131 33.287 2.526 1.00 7.94 C ATOM 1291 SG CYS E 182 -1.455 33.176 3.404 1.00 10.68 S ATOM 1292 N VAL E 183 3.311 33.006 3.367 1.00 8.48 N ATOM 1293 CA VAL E 183 4.636 32.586 2.922 1.00 8.61 C ATOM 1294 C VAL E 183 4.699 31.095 3.199 1.00 9.37 C ATOM 1295 O VAL E 183 4.361 30.644 4.296 1.00 10.44 O ATOM 1296 CB VAL E 183 5.778 33.305 3.693 1.00 7.56 C ATOM 1297 CG1 VAL E 183 7.119 33.003 3.043 1.00 8.92 C ATOM 1298 CG2 VAL E 183 5.538 34.806 3.735 1.00 7.27 C ATOM 1299 N GLY E 184 5.077 30.318 2.192 1.00 8.37 N ATOM 1300 CA GLY E 184 5.136 28.885 2.388 1.00 8.94 C ATOM 1301 C GLY E 184 4.685 28.071 1.199 1.00 9.89 C ATOM 1302 O GLY E 184 4.916 28.454 0.049 1.00 10.60 O ATOM 1303 N PHE E 184A 3.970 26.987 1.484 1.00 9.93 N ATOM 1304 CA PHE E 184A 3.522 26.063 0.452 1.00 11.78 C ATOM 1305 C PHE E 184A 2.069 25.652 0.619 1.00 12.27 C ATOM 1306 O PHE E 184A 1.645 25.271 1.710 1.00 11.36 O ATOM 1307 CB PHE E 184A 4.424 24.827 0.487 1.00 12.28 C ATOM 1308 CG PHE E 184A 5.887 25.164 0.516 1.00 13.10 C ATOM 1309 CD1 PHE E 184A 6.549 25.357 1.726 1.00 12.99 C ATOM 1310 CD2 PHE E 184A 6.586 25.371 -0.667 1.00 13.31 C ATOM 1311 CE1 PHE E 184A 7.883 25.758 1.754 1.00 13.38 C ATOM 1312 CE2 PHE E 184A 7.920 25.772 -0.648 1.00 13.54 C ATOM 1313 CZ PHE E 184A 8.568 25.967 0.565 1.00 14.53 C ATOM 1314 N LEU E 185 1.312 25.719 -0.472 1.00 11.89 N ATOM 1315 CA LEU E 185 -0.096 25.344 -0.440 1.00 12.73 C ATOM 1316 C LEU E 185 -0.263 23.853 -0.166 1.00 12.86 C ATOM 1317 O LEU E 185 -1.298 23.419 0.334 1.00 14.47 O ATOM 1318 CB LEU E 185 -0.789 25.734 -1.750 1.00 13.40 C ATOM 1319 CG LEU E 185 -0.894 27.236 -2.031 1.00 13.97 C ATOM 1320 CD1 LEU E 185 -1.644 27.458 -3.336 1.00 16.91 C ATOM 1321 CD2 LEU E 185 -1.602 27.951 -0.885 1.00 15.49 C ATOM 1322 N GLU E 186 0.768 23.073 -0.479 1.00 13.61 N ATOM 1323 CA GLU E 186 0.734 21.634 -0.243 1.00 14.84 C ATOM 1324 C GLU E 186 1.133 21.291 1.199 1.00 15.01 C ATOM 1325 O GLU E 186 1.065 20.132 1.608 1.00 15.51 O ATOM 1326 CB GLU E 186 1.655 20.904 -1.229 1.00 16.92 C ATOM 1327 CG GLU E 186 3.142 21.218 -1.068 1.00 19.41 C ATOM 1328 CD GLU E 186 3.645 22.325 -1.988 1.00 21.48 C ATOM 1329 OE1 GLU E 186 4.806 22.220 -2.432 1.00 23.34 O ATOM 1330 OE2 GLU E 186 2.908 23.300 -2.263 1.00 18.96 O ATOM 1331 N GLY E 187 1.538 22.305 1.962 1.00 14.45 N ATOM 1332 CA GLY E 187 1.950 22.095 3.342 1.00 14.32 C ATOM 1333 C GLY E 187 3.300 21.406 3.446 1.00 13.78 C ATOM 1334 O GLY E 187 4.100 21.456 2.509 1.00 15.50 O ATOM 1335 N GLY E 188 3.563 20.779 4.591 1.00 12.24 N ATOM 1336 CA GLY E 188 4.818 20.071 4.792 1.00 10.94 C ATOM 1337 C GLY E 188 5.943 20.871 5.426 1.00 9.70 C ATOM 1338 O GLY E 188 6.764 20.318 6.161 1.00 11.61 O ATOM 1339 N LYS E 188A 6.016 22.157 5.097 1.00 9.56 N ATOM 1340 CA LYS E 188A 7.039 23.054 5.636 1.00 9.82 C ATOM 1341 C LYS E 188A 6.333 24.339 6.057 1.00 10.30 C ATOM 1342 O LYS E 188A 5.533 24.882 5.293 1.00 10.57 O ATOM 1343 CB LYS E 188A 8.107 23.344 4.578 1.00 10.93 C ATOM 1344 CG LYS E 188A 8.845 22.109 4.081 1.00 12.32 C ATOM 1345 CD LYS E 188A 9.989 22.506 3.168 1.00 14.69 C ATOM 1346 CE LYS E 188A 10.846 21.319 2.754 1.00 18.75 C ATOM 1347 NZ LYS E 188A 10.146 20.377 1.836 1.00 21.64 N ATOM 1348 N ASP E 189 6.655 24.853 7.246 1.00 9.11 N ATOM 1349 CA ASP E 189 5.965 26.041 7.758 1.00 8.27 C ATOM 1350 C ASP E 189 6.605 26.489 9.073 1.00 7.38 C ATOM 1351 O ASP E 189 7.484 25.811 9.611 1.00 9.65 O ATOM 1352 CB ASP E 189 4.514 25.617 8.056 1.00 8.98 C ATOM 1353 CG ASP E 189 3.503 26.760 8.013 1.00 8.69 C ATOM 1354 OD1 ASP E 189 3.866 27.957 7.976 1.00 8.27 O ATOM 1355 OD2 ASP E 189 2.297 26.425 8.031 1.00 9.32 O ATOM 1356 N SER E 190 6.181 27.650 9.567 1.00 7.48 N ATOM 1357 CA SER E 190 6.643 28.142 10.863 1.00 7.71 C ATOM 1358 C SER E 190 5.629 27.582 11.867 1.00 7.27 C ATOM 1359 O SER E 190 4.512 27.215 11.488 1.00 7.67 O ATOM 1360 CB SER E 190 6.671 29.670 10.902 1.00 8.24 C ATOM 1361 OG SER E 190 5.422 30.222 10.531 1.00 8.55 O ATOM 1362 N CYS E 191 6.001 27.531 13.142 1.00 7.45 N ATOM 1363 CA CYS E 191 5.117 26.953 14.151 1.00 6.18 C ATOM 1364 C CYS E 191 5.276 27.638 15.512 1.00 6.21 C ATOM 1365 O CYS E 191 6.055 28.582 15.645 1.00 7.37 O ATOM 1366 CB CYS E 191 5.412 25.453 14.239 1.00 7.97 C ATOM 1367 SG CYS E 191 4.055 24.421 14.870 1.00 9.95 S ATOM 1368 N GLN E 192 4.532 27.169 16.516 1.00 6.93 N ATOM 1369 CA GLN E 192 4.589 27.775 17.849 1.00 5.97 C ATOM 1370 C GLN E 192 6.000 27.867 18.409 1.00 7.08 C ATOM 1371 O GLN E 192 6.701 26.860 18.555 1.00 7.68 O ATOM 1372 CB GLN E 192 3.655 27.058 18.832 1.00 7.32 C ATOM 1373 CG GLN E 192 2.187 27.449 18.688 1.00 7.10 C ATOM 1374 CD GLN E 192 1.562 26.960 17.389 1.00 8.40 C ATOM 1375 OE1 GLN E 192 1.814 25.836 16.956 1.00 9.30 O ATOM 1376 NE2 GLN E 192 0.736 27.797 16.772 1.00 7.66 N ATOM 1377 N GLY E 193 6.387 29.096 18.732 1.00 6.52 N ATOM 1378 CA GLY E 193 7.718 29.375 19.230 1.00 5.53 C ATOM 1379 C GLY E 193 8.477 30.198 18.197 1.00 6.38 C ATOM 1380 O GLY E 193 9.541 30.734 18.489 1.00 5.84 O ATOM 1381 N ASP E 194 7.935 30.281 16.982 1.00 5.82 N ATOM 1382 CA ASP E 194 8.553 31.057 15.900 1.00 5.98 C ATOM 1383 C ASP E 194 8.040 32.491 15.781 1.00 5.21 C ATOM 1384 O ASP E 194 8.700 33.327 15.157 1.00 5.63 O ATOM 1385 CB ASP E 194 8.337 30.374 14.545 1.00 5.38 C ATOM 1386 CG ASP E 194 9.148 29.111 14.382 1.00 6.87 C ATOM 1387 OD1 ASP E 194 10.301 29.070 14.859 1.00 6.66 O ATOM 1388 OD2 ASP E 194 8.633 28.167 13.752 1.00 6.52 O ATOM 1389 N ASER E 195 6.871 32.771 16.366 0.75 5.33 N ATOM 1390 N BSER E 195 6.883 32.768 16.380 0.25 6.04 N ATOM 1391 CA ASER E 195 6.263 34.104 16.305 0.75 5.25 C ATOM 1392 CA BSER E 195 6.268 34.096 16.340 0.25 6.50 C ATOM 1393 C ASER E 195 7.220 35.246 16.563 0.75 4.90 C ATOM 1394 C BSER E 195 7.231 35.251 16.570 0.25 6.00 C ATOM 1395 O ASER E 195 8.068 35.168 17.445 0.75 5.50 O ATOM 1396 O BSER E 195 8.102 35.182 17.434 0.25 6.31 O ATOM 1397 CB ASER E 195 5.094 34.237 17.281 0.75 5.35 C ATOM 1398 CB BSER E 195 5.143 34.187 17.368 0.25 7.33 C ATOM 1399 OG ASER E 195 3.891 33.771 16.704 0.75 3.02 O ATOM 1400 OG BSER E 195 4.786 35.533 17.616 0.25 9.43 O ATOM 1401 N GLY E 196 7.046 36.322 15.804 1.00 5.62 N ATOM 1402 CA GLY E 196 7.895 37.487 15.948 1.00 5.03 C ATOM 1403 C GLY E 196 9.190 37.394 15.173 1.00 5.11 C ATOM 1404 O GLY E 196 9.867 38.406 14.982 1.00 6.81 O ATOM 1405 N GLY E 197 9.506 36.184 14.716 1.00 6.59 N ATOM 1406 CA GLY E 197 10.718 35.927 13.962 1.00 8.00 C ATOM 1407 C GLY E 197 10.707 36.503 12.563 1.00 7.18 C ATOM 1408 O GLY E 197 9.661 36.891 12.042 1.00 7.81 O ATOM 1409 N PRO E 198 11.868 36.483 11.901 1.00 6.58 N ATOM 1410 CA PRO E 198 12.078 37.004 10.550 1.00 7.35 C ATOM 1411 C PRO E 198 11.741 36.181 9.316 1.00 7.34 C ATOM 1412 O PRO E 198 11.824 34.954 9.306 1.00 7.60 O ATOM 1413 CB PRO E 198 13.573 37.313 10.554 1.00 7.27 C ATOM 1414 CG PRO E 198 14.123 36.167 11.347 1.00 8.22 C ATOM 1415 CD PRO E 198 13.144 36.056 12.508 1.00 6.21 C ATOM 1416 N VAL E 199 11.345 36.915 8.280 1.00 7.47 N ATOM 1417 CA VAL E 199 11.104 36.382 6.943 1.00 7.71 C ATOM 1418 C VAL E 199 11.928 37.389 6.141 1.00 7.48 C ATOM 1419 O VAL E 199 11.525 38.547 5.971 1.00 6.52 O ATOM 1420 CB VAL E 199 9.642 36.460 6.479 1.00 7.98 C ATOM 1421 CG1 VAL E 199 9.544 35.995 5.021 1.00 9.93 C ATOM 1422 CG2 VAL E 199 8.765 35.587 7.354 1.00 8.97 C ATOM 1423 N VAL E 200 13.123 36.973 5.736 1.00 7.37 N ATOM 1424 CA VAL E 200 14.027 37.843 4.994 1.00 7.99 C ATOM 1425 C VAL E 200 14.144 37.434 3.530 1.00 8.41 C ATOM 1426 O VAL E 200 14.394 36.273 3.218 1.00 9.26 O ATOM 1427 CB VAL E 200 15.414 37.883 5.673 1.00 7.88 C ATOM 1428 CG1 VAL E 200 16.407 38.679 4.838 1.00 8.79 C ATOM 1429 CG2 VAL E 200 15.287 38.515 7.053 1.00 8.29 C ATOM 1430 N CYS E 201 13.948 38.404 2.644 1.00 9.11 N ATOM 1431 CA CYS E 201 14.012 38.167 1.205 1.00 9.91 C ATOM 1432 C CYS E 201 14.990 39.165 0.585 1.00 10.94 C ATOM 1433 O CYS E 201 14.825 40.380 0.725 1.00 10.82 O ATOM 1434 CB CYS E 201 12.623 38.342 0.580 1.00 10.22 C ATOM 1435 SG CYS E 201 11.210 37.856 1.633 1.00 11.15 S ATOM 1436 N ASN E 202 16.020 38.641 -0.075 1.00 13.71 N ATOM 1437 CA ASN E 202 17.042 39.474 -0.710 1.00 14.52 C ATOM 1438 C ASN E 202 17.629 40.490 0.273 1.00 14.90 C ATOM 1439 O ASN E 202 17.768 41.675 -0.039 1.00 15.49 O ATOM 1440 CB ASN E 202 16.469 40.178 -1.946 1.00 17.89 C ATOM 1441 CG ASN E 202 15.953 39.201 -2.986 1.00 18.69 C ATOM 1442 OD1 ASN E 202 16.510 38.119 -3.169 1.00 21.52 O ATOM 1443 ND2 ASN E 202 14.875 39.575 -3.667 1.00 19.71 N ATOM 1444 N GLY E 203 17.919 40.018 1.483 1.00 13.54 N ATOM 1445 CA GLY E 203 18.503 40.869 2.505 1.00 12.70 C ATOM 1446 C GLY E 203 17.584 41.866 3.188 1.00 11.64 C ATOM 1447 O GLY E 203 18.059 42.722 3.932 1.00 13.24 O ATOM 1448 N GLU E 204 16.280 41.771 2.942 1.00 11.23 N ATOM 1449 CA GLU E 204 15.322 42.686 3.557 1.00 10.74 C ATOM 1450 C GLU E 204 14.245 41.953 4.343 1.00 9.18 C ATOM 1451 O GLU E 204 13.727 40.924 3.905 1.00 10.17 O ATOM 1452 CB GLU E 204 14.669 43.577 2.495 1.00 12.29 C ATOM 1453 CG GLU E 204 15.672 44.427 1.739 1.00 15.83 C ATOM 1454 CD GLU E 204 15.049 45.338 0.699 1.00 17.54 C ATOM 1455 OE1 GLU E 204 13.842 45.212 0.394 1.00 19.22 O ATOM 1456 OE2 GLU E 204 15.792 46.192 0.176 1.00 21.20 O ATOM 1457 N LEU E 209 13.903 42.508 5.502 1.00 8.46 N ATOM 1458 CA LEU E 209 12.879 41.927 6.368 1.00 9.12 C ATOM 1459 C LEU E 209 11.488 42.232 5.810 1.00 8.63 C ATOM 1460 O LEU E 209 10.938 43.306 6.051 1.00 10.31 O ATOM 1461 CB LEU E 209 13.012 42.494 7.785 1.00 8.27 C ATOM 1462 CG LEU E 209 12.051 41.938 8.841 1.00 8.46 C ATOM 1463 CD1 LEU E 209 12.347 40.474 9.110 1.00 9.67 C ATOM 1464 CD2 LEU E 209 12.177 42.753 10.118 1.00 9.27 C ATOM 1465 N GLN E 210 10.923 41.280 5.073 1.00 7.75 N ATOM 1466 CA GLN E 210 9.605 41.454 4.469 1.00 8.59 C ATOM 1467 C GLN E 210 8.455 40.892 5.301 1.00 8.09 C ATOM 1468 O GLN E 210 7.298 41.258 5.092 1.00 9.19 O ATOM 1469 CB GLN E 210 9.574 40.824 3.073 1.00 8.51 C ATOM 1470 CG GLN E 210 10.494 41.491 2.047 1.00 9.55 C ATOM 1471 CD GLN E 210 9.955 42.815 1.518 1.00 12.64 C ATOM 1472 OE1 GLN E 210 8.815 43.191 1.784 1.00 13.36 O ATOM 1473 NE2 GLN E 210 10.775 43.516 0.742 1.00 12.22 N ATOM 1474 N GLY E 211 8.758 39.991 6.230 1.00 7.47 N ATOM 1475 CA GLY E 211 7.688 39.427 7.033 1.00 7.18 C ATOM 1476 C GLY E 211 8.064 39.110 8.463 1.00 7.50 C ATOM 1477 O GLY E 211 9.238 39.008 8.800 1.00 7.05 O ATOM 1478 N ILE E 212 7.043 38.985 9.306 1.00 7.73 N ATOM 1479 CA ILE E 212 7.224 38.644 10.713 1.00 7.86 C ATOM 1480 C ILE E 212 6.278 37.485 10.979 1.00 6.54 C ATOM 1481 O ILE E 212 5.098 37.560 10.624 1.00 7.44 O ATOM 1482 CB ILE E 212 6.850 39.822 11.642 1.00 6.74 C ATOM 1483 CG1 ILE E 212 7.851 40.967 11.476 1.00 9.23 C ATOM 1484 CG2 ILE E 212 6.832 39.364 13.104 1.00 8.57 C ATOM 1485 CD1 ILE E 212 7.440 42.233 12.179 1.00 11.37 C ATOM 1486 N VAL E 213 6.797 36.402 11.557 1.00 6.65 N ATOM 1487 CA VAL E 213 5.975 35.232 11.865 1.00 6.40 C ATOM 1488 C VAL E 213 4.797 35.674 12.738 1.00 6.58 C ATOM 1489 O VAL E 213 4.982 36.277 13.800 1.00 6.23 O ATOM 1490 CB VAL E 213 6.781 34.135 12.586 1.00 5.01 C ATOM 1491 CG1 VAL E 213 5.888 32.928 12.844 1.00 5.93 C ATOM 1492 CG2 VAL E 213 8.008 33.738 11.763 1.00 6.83 C ATOM 1493 N SER E 214 3.586 35.363 12.291 1.00 6.16 N ATOM 1494 CA SER E 214 2.396 35.796 13.004 1.00 6.36 C ATOM 1495 C SER E 214 1.416 34.690 13.368 1.00 7.24 C ATOM 1496 O SER E 214 1.288 34.331 14.543 1.00 7.67 O ATOM 1497 CB SER E 214 1.697 36.892 12.181 1.00 6.85 C ATOM 1498 OG SER E 214 0.599 37.473 12.866 1.00 8.99 O ATOM 1499 N TRP E 215 0.743 34.125 12.371 1.00 7.13 N ATOM 1500 CA TRP E 215 -0.248 33.098 12.656 1.00 6.30 C ATOM 1501 C TRP E 215 -0.511 32.115 11.526 1.00 7.78 C ATOM 1502 O TRP E 215 0.087 32.205 10.457 1.00 8.81 O ATOM 1503 CB TRP E 215 -1.564 33.770 13.071 1.00 8.21 C ATOM 1504 CG TRP E 215 -2.204 34.640 11.997 1.00 6.69 C ATOM 1505 CD1 TRP E 215 -1.877 35.928 11.676 1.00 6.98 C ATOM 1506 CD2 TRP E 215 -3.316 34.290 11.163 1.00 7.54 C ATOM 1507 NE1 TRP E 215 -2.724 36.404 10.697 1.00 7.78 N ATOM 1508 CE2 TRP E 215 -3.615 35.418 10.366 1.00 7.21 C ATOM 1509 CE3 TRP E 215 -4.091 33.132 11.013 1.00 8.33 C ATOM 1510 CZ2 TRP E 215 -4.661 35.422 9.433 1.00 8.57 C ATOM 1511 CZ3 TRP E 215 -5.133 33.138 10.083 1.00 7.84 C ATOM 1512 CH2 TRP E 215 -5.405 34.278 9.306 1.00 8.59 C ATOM 1513 N GLY E 216 -1.397 31.162 11.801 1.00 7.29 N ATOM 1514 CA GLY E 216 -1.779 30.156 10.826 1.00 7.15 C ATOM 1515 C GLY E 216 -2.642 29.102 11.494 1.00 9.70 C ATOM 1516 O GLY E 216 -2.732 29.076 12.719 1.00 9.66 O ATOM 1517 N TYR E 217 -3.331 28.275 10.712 1.00 8.31 N ATOM 1518 CA TYR E 217 -4.149 27.216 11.306 1.00 8.51 C ATOM 1519 C TYR E 217 -3.277 25.973 11.321 1.00 9.84 C ATOM 1520 O TYR E 217 -2.977 25.397 10.272 1.00 9.37 O ATOM 1521 CB TYR E 217 -5.431 26.977 10.507 1.00 9.12 C ATOM 1522 CG TYR E 217 -6.338 28.184 10.415 1.00 9.19 C ATOM 1523 CD1 TYR E 217 -6.242 29.238 11.328 1.00 9.79 C ATOM 1524 CD2 TYR E 217 -7.275 28.287 9.389 1.00 10.29 C ATOM 1525 CE1 TYR E 217 -7.052 30.365 11.212 1.00 9.96 C ATOM 1526 CE2 TYR E 217 -8.088 29.405 9.266 1.00 10.13 C ATOM 1527 CZ TYR E 217 -7.973 30.440 10.174 1.00 9.30 C ATOM 1528 OH TYR E 217 -8.767 31.551 10.024 1.00 13.78 O ATOM 1529 N GLY E 219 -2.838 25.585 12.514 1.00 10.11 N ATOM 1530 CA GLY E 219 -1.955 24.444 12.632 1.00 10.85 C ATOM 1531 C GLY E 219 -0.604 24.835 12.059 1.00 10.28 C ATOM 1532 O GLY E 219 -0.319 26.024 11.876 1.00 10.02 O ATOM 1533 N CYS E 220 0.216 23.839 11.746 1.00 9.41 N ATOM 1534 CA CYS E 220 1.543 24.084 11.191 1.00 10.09 C ATOM 1535 C CYS E 220 1.828 23.084 10.084 1.00 11.22 C ATOM 1536 O CYS E 220 1.707 21.879 10.292 1.00 10.97 O ATOM 1537 CB CYS E 220 2.616 23.912 12.268 1.00 10.58 C ATOM 1538 SG CYS E 220 2.454 24.971 13.736 1.00 11.91 S ATOM 1539 N ALA E 221 2.228 23.591 8.920 1.00 9.50 N ATOM 1540 CA ALA E 221 2.567 22.752 7.769 1.00 9.94 C ATOM 1541 C ALA E 221 1.406 21.923 7.229 1.00 10.16 C ATOM 1542 O ALA E 221 1.613 20.858 6.640 1.00 10.35 O ATOM 1543 CB ALA E 221 3.766 21.849 8.098 1.00 10.12 C ATOM 1544 N LEU E 221A 0.188 22.414 7.427 1.00 10.33 N ATOM 1545 CA LEU E 221A -0.997 21.719 6.942 1.00 11.07 C ATOM 1546 C LEU E 221A -1.320 22.171 5.528 1.00 12.40 C ATOM 1547 O LEU E 221A -1.139 23.343 5.185 1.00 11.51 O ATOM 1548 CB LEU E 221A -2.203 22.016 7.837 1.00 11.16 C ATOM 1549 CG LEU E 221A -2.073 21.663 9.317 1.00 11.48 C ATOM 1550 CD1 LEU E 221A -3.405 21.907 10.003 1.00 12.95 C ATOM 1551 CD2 LEU E 221A -1.646 20.214 9.473 1.00 11.32 C ATOM 1552 N APRO E 222 -1.790 21.242 4.678 0.50 12.60 N ATOM 1553 N BPRO E 222 -1.743 21.236 4.663 0.50 12.35 N ATOM 1554 CA APRO E 222 -2.137 21.577 3.295 0.50 13.08 C ATOM 1555 CA BPRO E 222 -2.085 21.595 3.283 0.50 12.82 C ATOM 1556 C APRO E 222 -3.255 22.613 3.261 0.50 12.76 C ATOM 1557 C BPRO E 222 -3.239 22.600 3.251 0.50 12.58 C ATOM 1558 O APRO E 222 -4.191 22.555 4.065 0.50 12.49 O ATOM 1559 O BPRO E 222 -4.175 22.512 4.051 0.50 12.34 O ATOM 1560 CB APRO E 222 -2.615 20.237 2.735 0.50 13.32 C ATOM 1561 CB BPRO E 222 -2.463 20.247 2.657 0.50 12.99 C ATOM 1562 CG APRO E 222 -1.814 19.241 3.512 0.50 13.85 C ATOM 1563 CG BPRO E 222 -2.817 19.377 3.841 0.50 13.01 C ATOM 1564 CD APRO E 222 -1.918 19.793 4.912 0.50 12.99 C ATOM 1565 CD BPRO E 222 -1.787 19.778 4.851 0.50 12.66 C ATOM 1566 N ASP E 223 -3.128 23.577 2.353 1.00 11.78 N ATOM 1567 CA ASP E 223 -4.115 24.644 2.179 1.00 11.84 C ATOM 1568 C ASP E 223 -4.153 25.661 3.325 1.00 10.69 C ATOM 1569 O ASP E 223 -5.087 26.452 3.427 1.00 11.11 O ATOM 1570 CB ASP E 223 -5.519 24.081 1.898 1.00 13.03 C ATOM 1571 CG ASP E 223 -6.458 25.118 1.307 1.00 15.26 C ATOM 1572 OD1 ASP E 223 -6.057 25.819 0.354 1.00 18.35 O ATOM 1573 OD2 ASP E 223 -7.595 25.250 1.800 1.00 14.90 O ATOM 1574 N ASN E 224 -3.133 25.637 4.180 1.00 10.28 N ATOM 1575 CA ASN E 224 -3.042 26.584 5.287 1.00 10.55 C ATOM 1576 C ASN E 224 -1.606 27.010 5.566 1.00 10.58 C ATOM 1577 O ASN E 224 -1.035 26.705 6.615 1.00 10.22 O ATOM 1578 CB ASN E 224 -3.716 26.041 6.553 1.00 12.06 C ATOM 1579 CG ASN E 224 -5.225 26.177 6.507 1.00 12.20 C ATOM 1580 OD1 ASN E 224 -5.941 25.194 6.336 1.00 12.33 O ATOM 1581 ND2 ASN E 224 -5.714 27.408 6.629 1.00 11.01 N ATOM 1582 N PRO E 225 -0.986 27.708 4.601 1.00 9.83 N ATOM 1583 CA PRO E 225 0.392 28.169 4.785 1.00 10.03 C ATOM 1584 C PRO E 225 0.407 29.246 5.867 1.00 9.08 C ATOM 1585 O PRO E 225 -0.621 29.864 6.149 1.00 9.12 O ATOM 1586 CB PRO E 225 0.742 28.748 3.413 1.00 10.57 C ATOM 1587 CG PRO E 225 -0.586 29.223 2.896 1.00 11.78 C ATOM 1588 CD PRO E 225 -1.503 28.095 3.275 1.00 11.64 C ATOM 1589 N GLY E 226 1.568 29.477 6.464 1.00 7.77 N ATOM 1590 CA GLY E 226 1.651 30.488 7.503 1.00 7.78 C ATOM 1591 C GLY E 226 1.350 31.895 7.016 1.00 9.25 C ATOM 1592 O GLY E 226 1.592 32.234 5.850 1.00 8.68 O ATOM 1593 N VAL E 227 0.768 32.699 7.905 1.00 7.72 N ATOM 1594 CA VAL E 227 0.436 34.089 7.620 1.00 8.00 C ATOM 1595 C VAL E 227 1.450 34.941 8.373 1.00 8.25 C ATOM 1596 O VAL E 227 1.774 34.669 9.537 1.00 8.28 O ATOM 1597 CB VAL E 227 -0.991 34.441 8.063 1.00 7.85 C ATOM 1598 CG1 VAL E 227 -1.356 35.830 7.574 1.00 8.34 C ATOM 1599 CG2 VAL E 227 -1.973 33.411 7.516 1.00 7.85 C ATOM 1600 N TYR E 228 1.931 35.984 7.704 1.00 7.07 N ATOM 1601 CA TYR E 228 2.966 36.852 8.244 1.00 6.79 C ATOM 1602 C TYR E 228 2.614 38.330 8.132 1.00 7.09 C ATOM 1603 O TYR E 228 1.894 38.738 7.220 1.00 7.95 O ATOM 1604 CB TYR E 228 4.267 36.587 7.471 1.00 6.27 C ATOM 1605 CG TYR E 228 4.755 35.155 7.573 1.00 5.29 C ATOM 1606 CD1 TYR E 228 4.160 34.125 6.833 1.00 6.21 C ATOM 1607 CD2 TYR E 228 5.786 34.821 8.449 1.00 6.60 C ATOM 1608 CE1 TYR E 228 4.581 32.797 6.972 1.00 6.82 C ATOM 1609 CE2 TYR E 228 6.213 33.506 8.595 1.00 6.55 C ATOM 1610 CZ TYR E 228 5.608 32.499 7.857 1.00 6.57 C ATOM 1611 OH TYR E 228 6.034 31.205 8.020 1.00 7.74 O ATOM 1612 N THR E 229 3.120 39.128 9.066 1.00 7.38 N ATOM 1613 CA THR E 229 2.883 40.565 9.044 1.00 7.48 C ATOM 1614 C THR E 229 3.706 41.124 7.883 1.00 7.57 C ATOM 1615 O THR E 229 4.893 40.821 7.759 1.00 8.92 O ATOM 1616 CB THR E 229 3.323 41.223 10.366 1.00 7.69 C ATOM 1617 OG1 THR E 229 2.663 40.567 11.455 1.00 9.67 O ATOM 1618 CG2 THR E 229 2.945 42.694 10.391 1.00 9.28 C ATOM 1619 N LYS E 230 3.054 41.898 7.016 1.00 8.38 N ATOM 1620 CA LYS E 230 3.698 42.496 5.844 1.00 9.31 C ATOM 1621 C LYS E 230 4.463 43.743 6.289 1.00 10.01 C ATOM 1622 O LYS E 230 3.910 44.844 6.348 1.00 10.53 O ATOM 1623 CB LYS E 230 2.629 42.846 4.801 1.00 11.27 C ATOM 1624 CG LYS E 230 3.164 43.131 3.408 1.00 14.53 C ATOM 1625 CD LYS E 230 2.016 43.427 2.450 1.00 18.14 C ATOM 1626 CE LYS E 230 2.497 43.539 1.016 1.00 22.07 C ATOM 1627 NZ LYS E 230 1.360 43.762 0.077 1.00 24.97 N ATOM 1628 N VAL E 231 5.746 43.554 6.586 1.00 9.63 N ATOM 1629 CA VAL E 231 6.618 44.622 7.078 1.00 9.14 C ATOM 1630 C VAL E 231 6.736 45.872 6.209 1.00 9.66 C ATOM 1631 O VAL E 231 6.874 46.974 6.734 1.00 10.13 O ATOM 1632 CB VAL E 231 8.033 44.072 7.399 1.00 8.28 C ATOM 1633 CG1 VAL E 231 8.939 45.171 7.957 1.00 9.32 C ATOM 1634 CG2 VAL E 231 7.926 42.929 8.397 1.00 9.60 C ATOM 1635 N CYS E 232 6.649 45.711 4.891 1.00 10.62 N ATOM 1636 CA CYS E 232 6.770 46.849 3.981 1.00 11.25 C ATOM 1637 C CYS E 232 5.721 47.936 4.200 1.00 12.88 C ATOM 1638 O CYS E 232 5.911 49.074 3.775 1.00 13.98 O ATOM 1639 CB CYS E 232 6.772 46.380 2.525 1.00 12.18 C ATOM 1640 SG CYS E 232 5.215 45.633 1.960 1.00 13.35 S ATOM 1641 N ASN E 233 4.625 47.593 4.873 1.00 11.96 N ATOM 1642 CA ASN E 233 3.569 48.567 5.163 1.00 12.16 C ATOM 1643 C ASN E 233 3.863 49.368 6.432 1.00 12.61 C ATOM 1644 O ASN E 233 3.169 50.343 6.726 1.00 14.53 O ATOM 1645 CB ASN E 233 2.219 47.864 5.351 1.00 12.85 C ATOM 1646 CG ASN E 233 1.657 47.299 4.062 1.00 14.51 C ATOM 1647 OD1 ASN E 233 2.241 47.451 2.987 1.00 16.10 O ATOM 1648 ND2 ASN E 233 0.506 46.644 4.165 1.00 13.89 N ATOM 1649 N TYR E 234 4.907 48.978 7.162 1.00 11.66 N ATOM 1650 CA TYR E 234 5.245 49.630 8.427 1.00 11.05 C ATOM 1651 C TYR E 234 6.610 50.297 8.523 1.00 12.04 C ATOM 1652 O TYR E 234 7.039 50.661 9.621 1.00 12.95 O ATOM 1653 CB TYR E 234 5.129 48.606 9.560 1.00 10.31 C ATOM 1654 CG TYR E 234 3.778 47.946 9.633 1.00 9.24 C ATOM 1655 CD1 TYR E 234 2.717 48.564 10.291 1.00 9.42 C ATOM 1656 CD2 TYR E 234 3.546 46.717 9.017 1.00 9.48 C ATOM 1657 CE1 TYR E 234 1.460 47.978 10.333 1.00 10.05 C ATOM 1658 CE2 TYR E 234 2.291 46.121 9.050 1.00 10.39 C ATOM 1659 CZ TYR E 234 1.252 46.760 9.710 1.00 10.17 C ATOM 1660 OH TYR E 234 0.008 46.185 9.740 1.00 12.61 O ATOM 1661 N VAL E 235 7.292 50.478 7.395 1.00 12.25 N ATOM 1662 CA VAL E 235 8.618 51.086 7.429 1.00 12.99 C ATOM 1663 C VAL E 235 8.600 52.466 8.061 1.00 12.88 C ATOM 1664 O VAL E 235 9.449 52.777 8.902 1.00 14.14 O ATOM 1665 CB VAL E 235 9.277 51.109 6.043 1.00 13.55 C ATOM 1666 CG1 VAL E 235 10.651 51.777 6.120 1.00 15.19 C ATOM 1667 CG2 VAL E 235 9.421 49.681 5.534 1.00 14.01 C ATOM 1668 N AASP E 236 7.623 53.283 7.668 0.50 14.27 N ATOM 1669 N BASP E 236 7.643 53.300 7.675 0.50 14.34 N ATOM 1670 CA AASP E 236 7.507 54.636 8.229 0.50 14.84 C ATOM 1671 CA BASP E 236 7.589 54.626 8.269 0.50 14.92 C ATOM 1672 C AASP E 236 7.138 54.615 9.707 0.50 14.54 C ATOM 1673 C BASP E 236 7.199 54.637 9.736 0.50 14.60 C ATOM 1674 O AASP E 236 7.659 55.343 10.484 0.50 14.36 O ATOM 1675 O BASP E 236 7.808 55.364 10.514 0.50 14.37 O ATOM 1676 CB AASP E 236 6.506 55.489 7.438 0.50 15.47 C ATOM 1677 CB BASP E 236 6.800 55.606 7.420 0.50 15.77 C ATOM 1678 CG AASP E 236 6.983 55.784 6.025 0.50 15.46 C ATOM 1679 CG BASP E 236 7.602 56.080 6.229 0.50 15.79 C ATOM 1680 OD1AASP E 236 8.164 56.151 5.846 0.50 15.25 O ATOM 1681 OD1BASP E 236 8.771 56.507 6.399 0.50 16.63 O ATOM 1682 OD2AASP E 236 6.176 55.641 5.089 0.50 15.53 O ATOM 1683 OD2BASP E 236 7.083 55.995 5.117 0.50 15.03 O ATOM 1684 N TRP E 237 6.260 53.737 10.103 1.00 14.76 N ATOM 1685 CA TRP E 237 5.837 53.628 11.511 1.00 14.14 C ATOM 1686 C TRP E 237 7.065 53.232 12.340 1.00 13.72 C ATOM 1687 O TRP E 237 7.311 53.819 13.382 1.00 13.89 O ATOM 1688 CB TRP E 237 4.694 52.609 11.730 1.00 14.38 C ATOM 1689 CG TRP E 237 4.415 52.462 13.200 1.00 13.35 C ATOM 1690 CD1 TRP E 237 3.781 53.363 14.011 1.00 15.14 C ATOM 1691 CD2 TRP E 237 4.803 51.372 14.036 1.00 14.15 C ATOM 1692 NE1 TRP E 237 3.741 52.893 15.300 1.00 14.40 N ATOM 1693 CE2 TRP E 237 4.361 51.671 15.344 1.00 14.02 C ATOM 1694 CE3 TRP E 237 5.479 50.168 13.807 1.00 13.51 C ATOM 1695 CZ2 TRP E 237 4.570 50.803 16.421 1.00 14.73 C ATOM 1696 CZ3 TRP E 237 5.688 49.302 14.878 1.00 13.74 C ATOM 1697 CH2 TRP E 237 5.233 49.626 16.168 1.00 14.37 C ATOM 1698 N ILE E 238 7.859 52.291 11.827 1.00 12.97 N ATOM 1699 CA ILE E 238 9.065 51.838 12.524 1.00 12.70 C ATOM 1700 C ILE E 238 10.086 52.973 12.667 1.00 13.90 C ATOM 1701 O ILE E 238 10.573 53.248 13.763 1.00 13.84 O ATOM 1702 CB ILE E 238 9.722 50.643 11.782 1.00 11.63 C ATOM 1703 CG1 ILE E 238 8.817 49.407 11.871 1.00 11.33 C ATOM 1704 CG2 ILE E 238 11.100 50.336 12.359 1.00 12.33 C ATOM 1705 CD1 ILE E 238 9.253 48.259 10.978 1.00 11.99 C ATOM 1706 N GLN E 239 10.374 53.649 11.558 1.00 15.14 N ATOM 1707 CA GLN E 239 11.332 54.748 11.561 1.00 16.25 C ATOM 1708 C GLN E 239 10.893 55.910 12.448 1.00 16.07 C ATOM 1709 O GLN E 239 11.699 56.450 13.207 1.00 17.04 O ATOM 1710 CB GLN E 239 11.592 55.227 10.131 1.00 16.50 C ATOM 1711 CG GLN E 239 12.268 54.170 9.264 1.00 19.61 C ATOM 1712 CD GLN E 239 12.532 54.632 7.841 1.00 22.00 C ATOM 1713 OE1 GLN E 239 13.506 54.214 7.215 1.00 25.97 O ATOM 1714 NE2 GLN E 239 11.655 55.476 7.316 1.00 23.20 N ATOM 1715 N ASP E 240 9.614 56.273 12.368 1.00 16.89 N ATOM 1716 CA ASP E 240 9.073 57.368 13.171 1.00 17.59 C ATOM 1717 C ASP E 240 9.098 57.028 14.660 1.00 17.72 C ATOM 1718 O ASP E 240 9.446 57.867 15.489 1.00 19.32 O ATOM 1719 CB ASP E 240 7.638 57.708 12.740 1.00 17.62 C ATOM 1720 CG ASP E 240 7.558 58.283 11.325 1.00 19.62 C ATOM 1721 OD1 ASP E 240 8.605 58.671 10.766 1.00 19.89 O ATOM 1722 OD2 ASP E 240 6.438 58.345 10.773 1.00 18.69 O ATOM 1723 N THR E 241 8.762 55.782 14.987 1.00 16.88 N ATOM 1724 CA THR E 241 8.737 55.327 16.374 1.00 16.26 C ATOM 1725 C THR E 241 10.131 55.307 17.000 1.00 16.72 C ATOM 1726 O THR E 241 10.310 55.743 18.138 1.00 17.93 O ATOM 1727 CB THR E 241 8.069 53.939 16.492 1.00 15.25 C ATOM 1728 OG1 THR E 241 6.733 54.012 15.975 1.00 14.90 O ATOM 1729 CG2 THR E 241 8.011 53.491 17.947 1.00 16.26 C ATOM 1730 N ILE E 242 11.116 54.821 16.248 1.00 17.03 N ATOM 1731 CA ILE E 242 12.496 54.767 16.723 1.00 17.86 C ATOM 1732 C ILE E 242 13.048 56.172 16.984 1.00 19.62 C ATOM 1733 O ILE E 242 13.671 56.424 18.020 1.00 19.87 O ATOM 1734 CB ILE E 242 13.407 54.038 15.701 1.00 18.17 C ATOM 1735 CG1 ILE E 242 13.058 52.548 15.666 1.00 17.53 C ATOM 1736 CG2 ILE E 242 14.882 54.250 16.040 1.00 19.87 C ATOM 1737 CD1 ILE E 242 13.827 51.759 14.628 1.00 19.01 C ATOM 1738 N ALA E 243 12.797 57.084 16.049 1.00 20.71 N ATOM 1739 CA ALA E 243 13.272 58.461 16.163 1.00 22.21 C ATOM 1740 C ALA E 243 12.613 59.230 17.308 1.00 22.41 C ATOM 1741 O ALA E 243 13.196 60.175 17.841 1.00 24.34 O ATOM 1742 CB ALA E 243 13.061 59.197 14.846 1.00 22.23 C ATOM 1743 N ALA E 244 11.410 58.813 17.694 1.00 22.44 N ATOM 1744 CA ALA E 244 10.672 59.475 18.767 1.00 22.62 C ATOM 1745 C ALA E 244 10.882 58.857 20.149 1.00 23.36 C ATOM 1746 O ALA E 244 10.395 59.389 21.149 1.00 23.26 O ATOM 1747 CB ALA E 244 9.189 59.505 18.433 1.00 22.39 C ATOM 1748 N ASN E 245 11.603 57.742 20.210 1.00 23.52 N ATOM 1749 CA ASN E 245 11.845 57.061 21.482 1.00 24.17 C ATOM 1750 C ASN E 245 13.311 56.691 21.716 1.00 24.94 C ATOM 1751 O ASN E 245 13.592 56.027 22.737 1.00 24.80 O ATOM 1752 CB ASN E 245 10.965 55.808 21.580 1.00 22.98 C ATOM 1753 CG ASN E 245 9.483 56.135 21.632 1.00 22.94 C ATOM 1754 OD1 ASN E 245 8.931 56.390 22.701 1.00 24.45 O ATOM 1755 ND2 ASN E 245 8.832 56.132 20.475 1.00 21.17 N ATOM 1756 OXT ASN E 245 14.166 57.079 20.892 1.00 27.05 O TER 1757 ASN E 245 ATOM 1758 N ARG I 1 -18.836 19.945 36.534 1.00 11.08 N ATOM 1759 CA ARG I 1 -17.931 21.098 36.254 1.00 11.05 C ATOM 1760 C ARG I 1 -18.348 21.753 34.935 1.00 11.73 C ATOM 1761 O ARG I 1 -19.129 21.177 34.170 1.00 10.78 O ATOM 1762 CB ARG I 1 -16.473 20.618 36.193 1.00 12.11 C ATOM 1763 CG ARG I 1 -16.070 19.923 34.895 1.00 11.49 C ATOM 1764 CD ARG I 1 -14.770 19.153 35.059 1.00 12.24 C ATOM 1765 NE ARG I 1 -14.994 17.867 35.714 1.00 13.09 N ATOM 1766 CZ ARG I 1 -14.521 17.527 36.910 1.00 14.59 C ATOM 1767 NH1 ARG I 1 -13.778 18.376 37.608 1.00 15.11 N ATOM 1768 NH2 ARG I 1 -14.811 16.337 37.416 1.00 13.20 N ATOM 1769 N PRO I 2 -17.850 22.975 34.661 1.00 11.98 N ATOM 1770 CA PRO I 2 -18.186 23.691 33.424 1.00 11.76 C ATOM 1771 C PRO I 2 -17.778 22.920 32.171 1.00 12.05 C ATOM 1772 O PRO I 2 -16.764 22.217 32.164 1.00 12.57 O ATOM 1773 CB PRO I 2 -17.393 24.989 33.559 1.00 12.43 C ATOM 1774 CG PRO I 2 -17.339 25.197 35.044 1.00 12.80 C ATOM 1775 CD PRO I 2 -17.024 23.821 35.541 1.00 11.82 C ATOM 1776 N ASP I 3 -18.551 23.092 31.100 1.00 12.08 N ATOM 1777 CA ASP I 3 -18.290 22.396 29.844 1.00 11.61 C ATOM 1778 C ASP I 3 -16.918 22.637 29.228 1.00 11.02 C ATOM 1779 O ASP I 3 -16.291 21.706 28.725 1.00 10.96 O ATOM 1780 CB ASP I 3 -19.398 22.674 28.810 1.00 13.25 C ATOM 1781 CG ASP I 3 -19.610 24.161 28.523 1.00 15.33 C ATOM 1782 OD1 ASP I 3 -18.895 25.027 29.075 1.00 16.16 O ATOM 1783 OD2 ASP I 3 -20.525 24.466 27.726 1.00 16.50 O ATOM 1784 N PHE I 4 -16.433 23.873 29.309 1.00 12.05 N ATOM 1785 CA PHE I 4 -15.139 24.206 28.724 1.00 11.29 C ATOM 1786 C PHE I 4 -13.961 23.456 29.342 1.00 11.91 C ATOM 1787 O PHE I 4 -12.934 23.274 28.692 1.00 11.70 O ATOM 1788 CB PHE I 4 -14.904 25.724 28.734 1.00 11.45 C ATOM 1789 CG PHE I 4 -14.900 26.342 30.106 1.00 12.16 C ATOM 1790 CD1 PHE I 4 -13.765 26.280 30.910 1.00 13.18 C ATOM 1791 CD2 PHE I 4 -16.016 27.023 30.577 1.00 13.34 C ATOM 1792 CE1 PHE I 4 -13.741 26.890 32.161 1.00 13.39 C ATOM 1793 CE2 PHE I 4 -16.002 27.637 31.828 1.00 14.52 C ATOM 1794 CZ PHE I 4 -14.861 27.570 32.621 1.00 14.55 C ATOM 1795 N CYS I 5 -14.138 22.980 30.573 1.00 12.04 N ATOM 1796 CA CYS I 5 -13.102 22.229 31.284 1.00 12.25 C ATOM 1797 C CYS I 5 -12.850 20.865 30.656 1.00 12.36 C ATOM 1798 O CYS I 5 -11.796 20.262 30.859 1.00 12.30 O ATOM 1799 CB CYS I 5 -13.520 22.000 32.736 1.00 13.70 C ATOM 1800 SG CYS I 5 -13.817 23.511 33.692 1.00 14.06 S ATOM 1801 N LEU I 6 -13.840 20.375 29.917 1.00 12.20 N ATOM 1802 CA LEU I 6 -13.768 19.068 29.281 1.00 12.84 C ATOM 1803 C LEU I 6 -13.241 19.095 27.849 1.00 12.45 C ATOM 1804 O LEU I 6 -13.101 18.049 27.215 1.00 14.26 O ATOM 1805 CB LEU I 6 -15.145 18.404 29.330 1.00 14.07 C ATOM 1806 CG LEU I 6 -15.724 18.284 30.743 1.00 14.14 C ATOM 1807 CD1 LEU I 6 -17.150 17.767 30.685 1.00 16.16 C ATOM 1808 CD2 LEU I 6 -14.854 17.370 31.585 1.00 14.91 C ATOM 1809 N GLU I 7 -12.956 20.291 27.344 1.00 12.24 N ATOM 1810 CA GLU I 7 -12.436 20.446 25.989 1.00 11.20 C ATOM 1811 C GLU I 7 -10.919 20.324 25.974 1.00 12.06 C ATOM 1812 O GLU I 7 -10.250 20.699 26.938 1.00 11.65 O ATOM 1813 CB GLU I 7 -12.840 21.809 25.417 1.00 12.41 C ATOM 1814 CG GLU I 7 -14.327 21.958 25.135 1.00 13.48 C ATOM 1815 CD GLU I 7 -14.859 20.895 24.185 1.00 15.26 C ATOM 1816 OE1 GLU I 7 -14.257 20.686 23.109 1.00 15.50 O ATOM 1817 OE2 GLU I 7 -15.884 20.267 24.516 1.00 16.46 O ATOM 1818 N PRO I 8 -10.354 19.772 24.888 1.00 11.00 N ATOM 1819 CA PRO I 8 -8.897 19.630 24.806 1.00 11.15 C ATOM 1820 C PRO I 8 -8.228 21.006 24.764 1.00 11.01 C ATOM 1821 O PRO I 8 -8.844 21.989 24.340 1.00 10.07 O ATOM 1822 CB PRO I 8 -8.701 18.854 23.500 1.00 12.35 C ATOM 1823 CG PRO I 8 -9.901 19.229 22.684 1.00 14.47 C ATOM 1824 CD PRO I 8 -11.012 19.207 23.697 1.00 11.80 C ATOM 1825 N PRO I 9 -6.975 21.099 25.243 1.00 11.19 N ATOM 1826 CA PRO I 9 -6.247 22.373 25.245 1.00 11.93 C ATOM 1827 C PRO I 9 -6.175 22.933 23.827 1.00 11.47 C ATOM 1828 O PRO I 9 -5.968 22.190 22.864 1.00 12.60 O ATOM 1829 CB PRO I 9 -4.876 21.983 25.802 1.00 12.79 C ATOM 1830 CG PRO I 9 -4.733 20.544 25.417 1.00 13.27 C ATOM 1831 CD PRO I 9 -6.108 20.003 25.706 1.00 11.34 C ATOM 1832 N TYR I 10 -6.394 24.236 23.711 1.00 9.75 N ATOM 1833 CA TYR I 10 -6.416 24.911 22.420 1.00 9.59 C ATOM 1834 C TYR I 10 -5.237 25.855 22.236 1.00 9.04 C ATOM 1835 O TYR I 10 -5.165 26.917 22.858 1.00 9.33 O ATOM 1836 CB TYR I 10 -7.741 25.670 22.282 1.00 9.97 C ATOM 1837 CG TYR I 10 -7.937 26.401 20.973 1.00 9.27 C ATOM 1838 CD1 TYR I 10 -8.151 25.704 19.787 1.00 9.73 C ATOM 1839 CD2 TYR I 10 -7.931 27.796 20.928 1.00 8.92 C ATOM 1840 CE1 TYR I 10 -8.355 26.379 18.585 1.00 10.07 C ATOM 1841 CE2 TYR I 10 -8.136 28.478 19.732 1.00 9.72 C ATOM 1842 CZ TYR I 10 -8.346 27.762 18.569 1.00 10.78 C ATOM 1843 OH TYR I 10 -8.541 28.428 17.387 1.00 11.89 O ATOM 1844 N THR I 11 -4.320 25.468 21.358 1.00 9.38 N ATOM 1845 CA THR I 11 -3.143 26.281 21.086 1.00 8.52 C ATOM 1846 C THR I 11 -3.504 27.586 20.382 1.00 8.01 C ATOM 1847 O THR I 11 -2.950 28.635 20.692 1.00 7.16 O ATOM 1848 CB THR I 11 -2.117 25.495 20.256 1.00 9.26 C ATOM 1849 OG1 THR I 11 -1.629 24.395 21.037 1.00 11.14 O ATOM 1850 CG2 THR I 11 -0.944 26.387 19.859 1.00 10.13 C ATOM 1851 N GLY I 12 -4.460 27.531 19.463 1.00 8.20 N ATOM 1852 CA GLY I 12 -4.837 28.742 18.759 1.00 7.25 C ATOM 1853 C GLY I 12 -3.968 28.965 17.535 1.00 8.54 C ATOM 1854 O GLY I 12 -2.967 28.269 17.345 1.00 8.74 O ATOM 1855 N PRO I 13 -4.309 29.964 16.707 1.00 8.22 N ATOM 1856 CA PRO I 13 -3.564 30.281 15.485 1.00 8.56 C ATOM 1857 C PRO I 13 -2.230 31.010 15.622 1.00 7.79 C ATOM 1858 O PRO I 13 -1.380 30.890 14.743 1.00 7.58 O ATOM 1859 CB PRO I 13 -4.576 31.087 14.679 1.00 8.03 C ATOM 1860 CG PRO I 13 -5.301 31.850 15.742 1.00 10.53 C ATOM 1861 CD PRO I 13 -5.508 30.813 16.829 1.00 9.74 C ATOM 1862 N CYS I 14 -2.040 31.770 16.698 1.00 7.20 N ATOM 1863 CA CYS I 14 -0.778 32.487 16.876 1.00 6.94 C ATOM 1864 C CYS I 14 0.380 31.536 17.145 1.00 6.94 C ATOM 1865 O CYS I 14 0.191 30.443 17.685 1.00 6.58 O ATOM 1866 CB CYS I 14 -0.913 33.567 17.945 1.00 7.44 C ATOM 1867 SG CYS I 14 -1.960 34.928 17.343 1.00 9.42 S ATOM 1868 N LYS I 15 1.585 31.954 16.761 1.00 6.71 N ATOM 1869 CA LYS I 15 2.752 31.095 16.892 1.00 6.48 C ATOM 1870 C LYS I 15 3.773 31.360 17.992 1.00 7.21 C ATOM 1871 O LYS I 15 4.969 31.140 17.807 1.00 6.72 O ATOM 1872 CB LYS I 15 3.423 30.950 15.523 1.00 7.14 C ATOM 1873 CG LYS I 15 2.517 30.234 14.533 1.00 6.56 C ATOM 1874 CD LYS I 15 3.083 30.228 13.121 1.00 5.38 C ATOM 1875 CE LYS I 15 2.178 29.420 12.202 1.00 8.12 C ATOM 1876 NZ LYS I 15 2.639 29.429 10.782 1.00 8.18 N ATOM 1877 N ALA I 16 3.316 31.888 19.121 1.00 6.13 N ATOM 1878 CA ALA I 16 4.220 32.103 20.243 1.00 6.92 C ATOM 1879 C ALA I 16 4.214 30.799 21.041 1.00 6.63 C ATOM 1880 O ALA I 16 3.437 29.884 20.740 1.00 7.10 O ATOM 1881 CB ALA I 16 3.726 33.255 21.116 1.00 6.52 C ATOM 1882 N ARG I 17 5.123 30.681 22.005 1.00 7.87 N ATOM 1883 CA ARG I 17 5.163 29.505 22.868 1.00 8.34 C ATOM 1884 C ARG I 17 4.918 30.020 24.283 1.00 10.07 C ATOM 1885 O ARG I 17 5.851 30.405 24.989 1.00 9.58 O ATOM 1886 CB ARG I 17 6.509 28.776 22.794 1.00 9.22 C ATOM 1887 CG ARG I 17 6.525 27.498 23.632 1.00 10.61 C ATOM 1888 CD ARG I 17 7.929 26.972 23.863 1.00 13.11 C ATOM 1889 NE ARG I 17 7.917 25.681 24.554 1.00 16.89 N ATOM 1890 CZ ARG I 17 8.039 25.520 25.870 1.00 20.06 C ATOM 1891 NH1 ARG I 17 8.190 26.568 26.670 1.00 21.25 N ATOM 1892 NH2 ARG I 17 7.997 24.298 26.389 1.00 20.84 N ATOM 1893 N AILE I 18 3.645 30.058 24.670 0.50 10.86 N ATOM 1894 N BILE I 18 3.652 30.045 24.681 0.50 11.11 N ATOM 1895 CA AILE I 18 3.238 30.535 25.990 0.50 11.40 C ATOM 1896 CA BILE I 18 3.267 30.526 26.003 0.50 11.91 C ATOM 1897 C AILE I 18 2.728 29.358 26.819 0.50 11.28 C ATOM 1898 C BILE I 18 2.729 29.364 26.823 0.50 11.61 C ATOM 1899 O AILE I 18 1.744 28.716 26.452 0.50 11.60 O ATOM 1900 O BILE I 18 1.732 28.741 26.456 0.50 11.89 O ATOM 1901 CB AILE I 18 2.100 31.588 25.884 0.50 11.11 C ATOM 1902 CB BILE I 18 2.189 31.618 25.891 0.50 12.28 C ATOM 1903 CG1AILE I 18 2.476 32.703 24.899 0.50 11.27 C ATOM 1904 CG1BILE I 18 2.689 32.737 24.978 0.50 12.93 C ATOM 1905 CG2AILE I 18 1.795 32.180 27.257 0.50 11.26 C ATOM 1906 CG2BILE I 18 1.859 32.186 27.270 0.50 12.30 C ATOM 1907 CD1AILE I 18 3.741 33.452 25.255 0.50 10.04 C ATOM 1908 CD1BILE I 18 1.598 33.551 24.382 0.50 13.36 C ATOM 1909 N ILE I 19 3.402 29.069 27.929 1.00 12.62 N ATOM 1910 CA ILE I 19 2.995 27.967 28.794 1.00 13.28 C ATOM 1911 C ILE I 19 1.778 28.335 29.640 1.00 12.72 C ATOM 1912 O ILE I 19 1.798 29.307 30.396 1.00 13.92 O ATOM 1913 CB ILE I 19 4.152 27.497 29.701 1.00 14.50 C ATOM 1914 CG1 ILE I 19 5.350 27.078 28.844 1.00 14.52 C ATOM 1915 CG2 ILE I 19 3.703 26.329 30.575 1.00 14.88 C ATOM 1916 CD1 ILE I 19 5.027 26.037 27.788 1.00 18.77 C ATOM 1917 N ARG I 20 0.704 27.574 29.461 1.00 11.30 N ATOM 1918 CA ARG I 20 -0.534 27.799 30.194 1.00 10.72 C ATOM 1919 C ARG I 20 -1.006 26.482 30.790 1.00 10.00 C ATOM 1920 O ARG I 20 -0.473 25.420 30.474 1.00 11.44 O ATOM 1921 CB ARG I 20 -1.613 28.364 29.260 1.00 10.41 C ATOM 1922 CG ARG I 20 -1.354 29.784 28.774 1.00 11.24 C ATOM 1923 CD ARG I 20 -1.504 30.794 29.903 1.00 12.34 C ATOM 1924 NE ARG I 20 -1.193 32.157 29.473 1.00 11.90 N ATOM 1925 CZ ARG I 20 -2.005 32.928 28.756 1.00 11.50 C ATOM 1926 NH1 ARG I 20 -3.193 32.480 28.375 1.00 11.83 N ATOM 1927 NH2 ARG I 20 -1.629 34.157 28.426 1.00 13.02 N ATOM 1928 N TYR I 21 -1.997 26.560 31.671 1.00 12.09 N ATOM 1929 CA TYR I 21 -2.547 25.371 32.302 1.00 12.39 C ATOM 1930 C TYR I 21 -3.938 25.069 31.766 1.00 10.26 C ATOM 1931 O TYR I 21 -4.683 25.978 31.393 1.00 11.00 O ATOM 1932 CB TYR I 21 -2.623 25.551 33.824 1.00 15.14 C ATOM 1933 CG TYR I 21 -1.289 25.476 34.528 1.00 18.00 C ATOM 1934 CD1 TYR I 21 -0.813 24.267 35.030 1.00 19.50 C ATOM 1935 CD2 TYR I 21 -0.501 26.614 34.690 1.00 20.88 C ATOM 1936 CE1 TYR I 21 0.416 24.191 35.679 1.00 22.36 C ATOM 1937 CE2 TYR I 21 0.732 26.550 35.338 1.00 23.39 C ATOM 1938 CZ TYR I 21 1.182 25.335 35.828 1.00 23.52 C ATOM 1939 OH TYR I 21 2.400 25.263 36.467 1.00 27.38 O ATOM 1940 N PHE I 22 -4.265 23.783 31.700 1.00 11.87 N ATOM 1941 CA PHE I 22 -5.579 23.339 31.251 1.00 10.68 C ATOM 1942 C PHE I 22 -5.984 22.167 32.130 1.00 11.02 C ATOM 1943 O PHE I 22 -5.128 21.484 32.693 1.00 11.79 O ATOM 1944 CB PHE I 22 -5.559 22.908 29.773 1.00 11.61 C ATOM 1945 CG PHE I 22 -4.951 21.549 29.531 1.00 11.45 C ATOM 1946 CD1 PHE I 22 -3.571 21.376 29.533 1.00 12.35 C ATOM 1947 CD2 PHE I 22 -5.764 20.437 29.314 1.00 12.54 C ATOM 1948 CE1 PHE I 22 -3.006 20.119 29.318 1.00 13.26 C ATOM 1949 CE2 PHE I 22 -5.210 19.173 29.097 1.00 12.44 C ATOM 1950 CZ PHE I 22 -3.826 19.013 29.102 1.00 13.84 C ATOM 1951 N TYR I 23 -7.285 21.956 32.273 1.00 11.34 N ATOM 1952 CA TYR I 23 -7.766 20.842 33.072 1.00 11.97 C ATOM 1953 C TYR I 23 -7.854 19.592 32.207 1.00 12.65 C ATOM 1954 O TYR I 23 -8.512 19.595 31.164 1.00 12.90 O ATOM 1955 CB TYR I 23 -9.137 21.148 33.672 1.00 12.37 C ATOM 1956 CG TYR I 23 -9.664 20.037 34.556 1.00 12.84 C ATOM 1957 CD1 TYR I 23 -9.101 19.791 35.809 1.00 15.23 C ATOM 1958 CD2 TYR I 23 -10.712 19.219 34.132 1.00 14.29 C ATOM 1959 CE1 TYR I 23 -9.568 18.754 36.620 1.00 15.44 C ATOM 1960 CE2 TYR I 23 -11.185 18.180 34.934 1.00 15.56 C ATOM 1961 CZ TYR I 23 -10.608 17.955 36.174 1.00 15.69 C ATOM 1962 OH TYR I 23 -11.074 16.930 36.967 1.00 18.17 O ATOM 1963 N ASN I 24 -7.151 18.546 32.628 1.00 13.95 N ATOM 1964 CA ASN I 24 -7.158 17.268 31.926 1.00 15.85 C ATOM 1965 C ASN I 24 -8.170 16.402 32.669 1.00 16.71 C ATOM 1966 O ASN I 24 -7.870 15.858 33.731 1.00 17.45 O ATOM 1967 CB ASN I 24 -5.765 16.627 31.971 1.00 17.16 C ATOM 1968 CG ASN I 24 -5.681 15.340 31.162 1.00 18.96 C ATOM 1969 OD1 ASN I 24 -6.644 14.576 31.079 1.00 19.50 O ATOM 1970 ND2 ASN I 24 -4.521 15.092 30.566 1.00 19.59 N ATOM 1971 N ALA I 25 -9.375 16.301 32.112 1.00 17.53 N ATOM 1972 CA ALA I 25 -10.461 15.534 32.717 1.00 20.12 C ATOM 1973 C ALA I 25 -10.132 14.071 32.998 1.00 21.19 C ATOM 1974 O ALA I 25 -10.510 13.538 34.043 1.00 21.74 O ATOM 1975 CB ALA I 25 -11.712 15.636 31.861 1.00 19.82 C ATOM 1976 N LYS I 26 -9.434 13.427 32.067 1.00 23.24 N ATOM 1977 CA LYS I 26 -9.053 12.025 32.220 1.00 24.85 C ATOM 1978 C LYS I 26 -8.099 11.832 33.397 1.00 25.30 C ATOM 1979 O LYS I 26 -8.230 10.873 34.162 1.00 26.80 O ATOM 1980 CB LYS I 26 -8.400 11.509 30.935 1.00 25.39 C ATOM 1981 N ALA I 27 -7.152 12.755 33.540 1.00 24.29 N ATOM 1982 CA ALA I 27 -6.165 12.704 34.614 1.00 23.90 C ATOM 1983 C ALA I 27 -6.703 13.246 35.935 1.00 23.64 C ATOM 1984 O ALA I 27 -6.164 12.945 37.001 1.00 23.73 O ATOM 1985 CB ALA I 27 -4.912 13.464 34.208 1.00 24.57 C ATOM 1986 N GLY I 28 -7.751 14.063 35.857 1.00 23.23 N ATOM 1987 CA GLY I 28 -8.344 14.633 37.055 1.00 22.47 C ATOM 1988 C GLY I 28 -7.521 15.747 37.673 1.00 22.04 C ATOM 1989 O GLY I 28 -7.629 16.018 38.870 1.00 23.02 O ATOM 1990 N LEU I 29 -6.693 16.395 36.859 1.00 20.68 N ATOM 1991 CA LEU I 29 -5.856 17.489 37.335 1.00 19.40 C ATOM 1992 C LEU I 29 -5.423 18.411 36.204 1.00 18.03 C ATOM 1993 O LEU I 29 -5.610 18.099 35.026 1.00 16.36 O ATOM 1994 CB LEU I 29 -4.637 16.949 38.098 1.00 21.58 C ATOM 1995 CG LEU I 29 -3.891 15.715 37.576 1.00 23.66 C ATOM 1996 CD1 LEU I 29 -3.171 16.022 36.275 1.00 25.20 C ATOM 1997 CD2 LEU I 29 -2.895 15.250 38.627 1.00 24.80 C ATOM 1998 N CYS I 30 -4.884 19.567 36.573 1.00 17.29 N ATOM 1999 CA CYS I 30 -4.428 20.541 35.593 1.00 16.82 C ATOM 2000 C CYS I 30 -2.989 20.287 35.183 1.00 17.05 C ATOM 2001 O CYS I 30 -2.144 19.936 36.010 1.00 17.16 O ATOM 2002 CB CYS I 30 -4.597 21.956 36.137 1.00 17.16 C ATOM 2003 SG CYS I 30 -6.346 22.389 36.397 1.00 17.34 S ATOM 2004 N GLN I 31 -2.730 20.443 33.890 1.00 15.65 N ATOM 2005 CA GLN I 31 -1.405 20.233 33.325 1.00 14.98 C ATOM 2006 C GLN I 31 -1.059 21.413 32.429 1.00 14.04 C ATOM 2007 O GLN I 31 -1.902 22.269 32.165 1.00 14.56 O ATOM 2008 CB GLN I 31 -1.383 18.939 32.509 1.00 15.36 C ATOM 2009 CG GLN I 31 -1.697 17.689 33.325 1.00 17.96 C ATOM 2010 CD GLN I 31 -1.809 16.441 32.477 1.00 19.17 C ATOM 2011 OE1 GLN I 31 -2.226 16.497 31.321 1.00 21.17 O ATOM 2012 NE2 GLN I 31 -1.450 15.300 33.054 1.00 22.63 N ATOM 2013 N THR I 32 0.192 21.474 31.988 1.00 14.65 N ATOM 2014 CA THR I 32 0.628 22.560 31.122 1.00 14.04 C ATOM 2015 C THR I 32 0.488 22.196 29.649 1.00 13.16 C ATOM 2016 O THR I 32 0.467 21.021 29.284 1.00 13.33 O ATOM 2017 CB THR I 32 2.102 22.939 31.385 1.00 16.01 C ATOM 2018 OG1 THR I 32 2.939 21.797 31.169 1.00 17.14 O ATOM 2019 CG2 THR I 32 2.283 23.436 32.809 1.00 18.47 C ATOM 2020 N PHE I 33 0.362 23.222 28.813 1.00 11.39 N ATOM 2021 CA PHE I 33 0.270 23.050 27.367 1.00 10.81 C ATOM 2022 C PHE I 33 0.816 24.312 26.717 1.00 9.81 C ATOM 2023 O PHE I 33 1.024 25.325 27.390 1.00 9.58 O ATOM 2024 CB PHE I 33 -1.172 22.767 26.905 1.00 10.04 C ATOM 2025 CG PHE I 33 -2.058 23.988 26.814 1.00 10.16 C ATOM 2026 CD1 PHE I 33 -2.658 24.522 27.952 1.00 9.58 C ATOM 2027 CD2 PHE I 33 -2.338 24.570 25.576 1.00 9.08 C ATOM 2028 CE1 PHE I 33 -3.526 25.608 27.861 1.00 9.32 C ATOM 2029 CE2 PHE I 33 -3.202 25.655 25.473 1.00 9.97 C ATOM 2030 CZ PHE I 33 -3.799 26.178 26.618 1.00 10.81 C ATOM 2031 N VAL I 34 1.073 24.240 25.415 1.00 10.68 N ATOM 2032 CA VAL I 34 1.593 25.391 24.685 1.00 9.92 C ATOM 2033 C VAL I 34 0.471 26.193 24.038 1.00 9.78 C ATOM 2034 O VAL I 34 -0.247 25.690 23.171 1.00 10.19 O ATOM 2035 CB VAL I 34 2.599 24.972 23.585 1.00 9.51 C ATOM 2036 CG1 VAL I 34 3.046 26.200 22.780 1.00 9.26 C ATOM 2037 CG2 VAL I 34 3.807 24.278 24.201 1.00 10.31 C ATOM 2038 N TYR I 35 0.297 27.423 24.511 1.00 9.22 N ATOM 2039 CA TYR I 35 -0.698 28.346 23.980 1.00 7.99 C ATOM 2040 C TYR I 35 0.036 29.256 22.992 1.00 8.10 C ATOM 2041 O TYR I 35 1.149 29.721 23.266 1.00 8.12 O ATOM 2042 CB TYR I 35 -1.322 29.151 25.129 1.00 8.17 C ATOM 2043 CG TYR I 35 -2.187 30.322 24.714 1.00 7.29 C ATOM 2044 CD1 TYR I 35 -3.250 30.160 23.821 1.00 7.52 C ATOM 2045 CD2 TYR I 35 -1.958 31.592 25.242 1.00 8.35 C ATOM 2046 CE1 TYR I 35 -4.064 31.240 23.466 1.00 7.15 C ATOM 2047 CE2 TYR I 35 -2.765 32.675 24.898 1.00 6.89 C ATOM 2048 CZ TYR I 35 -3.813 32.492 24.013 1.00 8.23 C ATOM 2049 OH TYR I 35 -4.615 33.560 23.688 1.00 9.23 O ATOM 2050 N GLY I 36 -0.585 29.487 21.839 1.00 7.91 N ATOM 2051 CA GLY I 36 0.024 30.302 20.800 1.00 9.12 C ATOM 2052 C GLY I 36 0.067 31.804 21.004 1.00 8.52 C ATOM 2053 O GLY I 36 0.786 32.501 20.284 1.00 7.93 O ATOM 2054 N GLY I 37 -0.733 32.321 21.932 1.00 8.06 N ATOM 2055 CA GLY I 37 -0.711 33.753 22.177 1.00 9.99 C ATOM 2056 C GLY I 37 -1.952 34.556 21.850 1.00 10.25 C ATOM 2057 O GLY I 37 -2.025 35.731 22.212 1.00 12.65 O ATOM 2058 N CYS I 38 -2.922 33.952 21.173 1.00 9.07 N ATOM 2059 CA CYS I 38 -4.150 34.670 20.845 1.00 9.44 C ATOM 2060 C CYS I 38 -5.363 33.752 20.714 1.00 9.97 C ATOM 2061 O CYS I 38 -5.226 32.535 20.567 1.00 9.85 O ATOM 2062 CB CYS I 38 -3.984 35.471 19.547 1.00 9.54 C ATOM 2063 SG CYS I 38 -3.817 34.468 18.033 1.00 9.62 S ATOM 2064 N AARG I 39 -6.538 34.371 20.818 0.50 11.28 N ATOM 2065 N BARG I 39 -6.553 34.345 20.772 0.50 11.36 N ATOM 2066 CA AARG I 39 -7.839 33.714 20.702 0.50 11.79 C ATOM 2067 CA BARG I 39 -7.824 33.623 20.634 0.50 11.71 C ATOM 2068 C AARG I 39 -8.021 32.501 21.613 0.50 12.19 C ATOM 2069 C BARG I 39 -7.991 32.452 21.609 0.50 11.95 C ATOM 2070 O AARG I 39 -8.557 31.471 21.202 0.50 12.66 O ATOM 2071 O BARG I 39 -8.499 31.393 21.235 0.50 12.07 O ATOM 2072 CB AARG I 39 -8.111 33.353 19.236 0.50 13.61 C ATOM 2073 CB BARG I 39 -7.985 33.103 19.196 0.50 13.08 C ATOM 2074 CG AARG I 39 -8.048 34.555 18.292 0.50 14.96 C ATOM 2075 CG BARG I 39 -7.741 34.133 18.095 0.50 15.74 C ATOM 2076 CD AARG I 39 -8.206 34.152 16.834 0.50 18.03 C ATOM 2077 CD BARG I 39 -8.738 35.279 18.143 0.50 17.29 C ATOM 2078 NE AARG I 39 -9.548 33.658 16.555 0.50 20.56 N ATOM 2079 NE BARG I 39 -10.118 34.837 17.951 0.50 18.19 N ATOM 2080 CZ AARG I 39 -10.619 34.434 16.438 0.50 22.47 C ATOM 2081 CZ BARG I 39 -10.661 34.531 16.775 0.50 20.69 C ATOM 2082 NH1AARG I 39 -10.513 35.747 16.567 0.50 22.34 N ATOM 2083 NH1BARG I 39 -9.945 34.611 15.659 0.50 20.22 N ATOM 2084 NH2AARG I 39 -11.803 33.894 16.222 0.50 24.20 N ATOM 2085 NH2BARG I 39 -11.931 34.154 16.714 0.50 21.68 N ATOM 2086 N ALA I 40 -7.582 32.644 22.860 1.00 11.68 N ATOM 2087 CA ALA I 40 -7.681 31.583 23.864 1.00 11.93 C ATOM 2088 C ALA I 40 -9.101 31.100 24.146 1.00 11.58 C ATOM 2089 O ALA I 40 -10.057 31.878 24.081 1.00 12.08 O ATOM 2090 CB ALA I 40 -7.056 32.050 25.167 1.00 12.16 C ATOM 2091 N LYS I 41 -9.231 29.796 24.396 1.00 11.18 N ATOM 2092 CA LYS I 41 -10.517 29.216 24.772 1.00 10.72 C ATOM 2093 C LYS I 41 -10.514 29.274 26.300 1.00 10.70 C ATOM 2094 O LYS I 41 -9.520 29.685 26.901 1.00 11.68 O ATOM 2095 CB LYS I 41 -10.666 27.782 24.254 1.00 10.74 C ATOM 2096 CG LYS I 41 -11.092 27.720 22.790 1.00 11.90 C ATOM 2097 CD LYS I 41 -11.324 26.290 22.327 1.00 12.74 C ATOM 2098 CE LYS I 41 -11.732 26.229 20.857 1.00 13.60 C ATOM 2099 NZ LYS I 41 -13.068 26.849 20.604 1.00 15.74 N ATOM 2100 N ARG I 42 -11.609 28.871 26.934 1.00 11.24 N ATOM 2101 CA ARG I 42 -11.694 28.957 28.389 1.00 11.16 C ATOM 2102 C ARG I 42 -10.868 27.992 29.238 1.00 10.73 C ATOM 2103 O ARG I 42 -10.536 28.312 30.382 1.00 11.28 O ATOM 2104 CB ARG I 42 -13.157 28.991 28.824 1.00 12.03 C ATOM 2105 CG ARG I 42 -13.847 30.285 28.424 1.00 13.94 C ATOM 2106 CD ARG I 42 -15.340 30.237 28.664 1.00 13.59 C ATOM 2107 NE ARG I 42 -16.003 29.290 27.772 1.00 14.75 N ATOM 2108 CZ ARG I 42 -17.306 29.030 27.793 1.00 16.36 C ATOM 2109 NH1 ARG I 42 -18.093 29.646 28.667 1.00 17.76 N ATOM 2110 NH2 ARG I 42 -17.823 28.157 26.938 1.00 17.22 N ATOM 2111 N ASN I 43 -10.518 26.831 28.691 1.00 9.96 N ATOM 2112 CA ASN I 43 -9.695 25.872 29.432 1.00 9.70 C ATOM 2113 C ASN I 43 -8.242 26.295 29.194 1.00 10.01 C ATOM 2114 O ASN I 43 -7.457 25.586 28.561 1.00 9.83 O ATOM 2115 CB ASN I 43 -9.947 24.445 28.932 1.00 9.61 C ATOM 2116 CG ASN I 43 -9.401 23.389 29.879 1.00 10.62 C ATOM 2117 OD1 ASN I 43 -8.981 23.697 30.997 1.00 11.32 O ATOM 2118 ND2 ASN I 43 -9.405 22.137 29.437 1.00 9.93 N ATOM 2119 N ASN I 44 -7.898 27.455 29.745 1.00 9.47 N ATOM 2120 CA ASN I 44 -6.582 28.063 29.583 1.00 10.90 C ATOM 2121 C ASN I 44 -6.393 28.999 30.781 1.00 10.60 C ATOM 2122 O ASN I 44 -7.075 30.018 30.892 1.00 12.18 O ATOM 2123 CB ASN I 44 -6.598 28.845 28.260 1.00 10.44 C ATOM 2124 CG ASN I 44 -5.292 29.550 27.956 1.00 11.37 C ATOM 2125 OD1 ASN I 44 -4.580 29.996 28.855 1.00 10.67 O ATOM 2126 ND2 ASN I 44 -4.990 29.691 26.662 1.00 9.60 N ATOM 2127 N PHE I 45 -5.461 28.646 31.666 1.00 10.96 N ATOM 2128 CA PHE I 45 -5.203 29.425 32.876 1.00 13.10 C ATOM 2129 C PHE I 45 -3.731 29.765 33.057 1.00 13.72 C ATOM 2130 O PHE I 45 -2.853 29.026 32.612 1.00 13.33 O ATOM 2131 CB PHE I 45 -5.685 28.642 34.102 1.00 13.19 C ATOM 2132 CG PHE I 45 -7.103 28.157 33.994 1.00 11.79 C ATOM 2133 CD1 PHE I 45 -7.392 26.938 33.380 1.00 12.57 C ATOM 2134 CD2 PHE I 45 -8.150 28.920 34.493 1.00 14.16 C ATOM 2135 CE1 PHE I 45 -8.706 26.488 33.267 1.00 12.52 C ATOM 2136 CE2 PHE I 45 -9.469 28.481 34.386 1.00 13.28 C ATOM 2137 CZ PHE I 45 -9.746 27.261 33.769 1.00 13.12 C ATOM 2138 N LYS I 46 -3.467 30.870 33.750 1.00 16.92 N ATOM 2139 CA LYS I 46 -2.094 31.300 34.002 1.00 20.22 C ATOM 2140 C LYS I 46 -1.465 30.635 35.226 1.00 21.98 C ATOM 2141 O LYS I 46 -0.279 30.826 35.500 1.00 23.12 O ATOM 2142 CB LYS I 46 -2.018 32.825 34.116 1.00 21.32 C ATOM 2143 CG LYS I 46 -2.269 33.543 32.796 1.00 22.32 C ATOM 2144 CD LYS I 46 -2.094 35.048 32.922 1.00 23.70 C ATOM 2145 CE LYS I 46 -2.366 35.740 31.596 1.00 25.23 C ATOM 2146 NZ LYS I 46 -2.173 37.216 31.673 1.00 26.44 N ATOM 2147 N ASER I 47 -2.260 29.854 35.955 0.50 22.70 N ATOM 2148 N BSER I 47 -2.258 29.844 35.944 0.50 22.87 N ATOM 2149 CA ASER I 47 -1.775 29.151 37.141 0.50 22.85 C ATOM 2150 CA BSER I 47 -1.781 29.151 37.135 0.50 23.16 C ATOM 2151 C ASER I 47 -2.550 27.860 37.374 0.50 23.14 C ATOM 2152 C BSER I 47 -2.552 27.856 37.370 0.50 23.33 C ATOM 2153 O ASER I 47 -3.720 27.750 37.001 0.50 22.97 O ATOM 2154 O BSER I 47 -3.720 27.742 36.994 0.50 23.14 O ATOM 2155 CB ASER I 47 -1.862 30.046 38.384 0.50 22.86 C ATOM 2156 CB BSER I 47 -1.885 30.075 38.359 0.50 23.43 C ATOM 2157 OG ASER I 47 -3.205 30.350 38.721 0.50 22.32 O ATOM 2158 OG BSER I 47 -2.674 29.508 39.391 0.50 23.80 O ATOM 2159 N ALA I 48 -1.884 26.882 37.984 1.00 23.22 N ATOM 2160 CA ALA I 48 -2.496 25.590 38.282 1.00 23.80 C ATOM 2161 C ALA I 48 -3.606 25.790 39.305 1.00 23.50 C ATOM 2162 O ALA I 48 -4.666 25.160 39.226 1.00 23.17 O ATOM 2163 CB ALA I 48 -1.448 24.622 38.817 1.00 24.23 C ATOM 2164 N GLU I 49 -3.373 26.715 40.235 1.00 23.04 N ATOM 2165 CA GLU I 49 -4.341 27.025 41.273 1.00 21.92 C ATOM 2166 C GLU I 49 -5.643 27.574 40.696 1.00 20.76 C ATOM 2167 O GLU I 49 -6.721 27.149 41.111 1.00 20.43 O ATOM 2168 CB GLU I 49 -3.755 28.002 42.295 1.00 22.75 C ATOM 2169 N AASP I 50 -5.552 28.521 39.765 0.50 19.93 N ATOM 2170 N BASP I 50 -5.540 28.514 39.752 0.50 20.02 N ATOM 2171 CA AASP I 50 -6.753 29.093 39.162 0.50 19.01 C ATOM 2172 CA BASP I 50 -6.712 29.112 39.097 0.50 19.22 C ATOM 2173 C AASP I 50 -7.500 28.040 38.336 0.50 17.90 C ATOM 2174 C BASP I 50 -7.496 28.039 38.346 0.50 18.07 C ATOM 2175 O AASP I 50 -8.726 28.033 38.277 0.50 16.76 O ATOM 2176 O BASP I 50 -8.732 28.025 38.338 0.50 17.15 O ATOM 2177 CB AASP I 50 -6.404 30.307 38.294 0.50 20.92 C ATOM 2178 CB BASP I 50 -6.269 30.149 38.063 0.50 21.05 C ATOM 2179 CG AASP I 50 -7.628 31.133 37.932 0.50 22.07 C ATOM 2180 CG BASP I 50 -6.128 31.548 38.636 0.50 22.56 C ATOM 2181 OD1AASP I 50 -7.829 31.408 36.732 0.50 23.57 O ATOM 2182 OD1BASP I 50 -6.698 31.837 39.710 0.50 23.98 O ATOM 2183 OD2AASP I 50 -8.385 31.516 38.851 0.50 23.84 O ATOM 2184 OD2BASP I 50 -5.464 32.380 37.981 0.50 23.97 O ATOM 2185 N CYS I 51 -6.742 27.156 37.696 1.00 16.72 N ATOM 2186 CA CYS I 51 -7.298 26.074 36.893 1.00 15.49 C ATOM 2187 C CYS I 51 -8.087 25.079 37.736 1.00 15.54 C ATOM 2188 O CYS I 51 -9.220 24.735 37.396 1.00 13.61 O ATOM 2189 CB CYS I 51 -6.162 25.367 36.149 1.00 14.64 C ATOM 2190 SG CYS I 51 -6.662 23.944 35.138 1.00 14.65 S ATOM 2191 N MET I 52 -7.496 24.634 38.843 1.00 16.09 N ATOM 2192 CA MET I 52 -8.166 23.682 39.724 1.00 16.88 C ATOM 2193 C MET I 52 -9.374 24.289 40.429 1.00 16.72 C ATOM 2194 O MET I 52 -10.362 23.600 40.681 1.00 15.62 O ATOM 2195 CB MET I 52 -7.186 23.089 40.739 1.00 17.51 C ATOM 2196 CG MET I 52 -6.269 22.013 40.161 1.00 19.81 C ATOM 2197 SD MET I 52 -7.163 20.647 39.358 1.00 22.63 S ATOM 2198 CE MET I 52 -7.732 19.711 40.780 1.00 22.70 C ATOM 2199 N ARG I 53 -9.305 25.583 40.727 1.00 16.28 N ATOM 2200 CA ARG I 53 -10.412 26.271 41.383 1.00 17.65 C ATOM 2201 C ARG I 53 -11.612 26.325 40.439 1.00 17.24 C ATOM 2202 O ARG I 53 -12.750 26.087 40.842 1.00 18.53 O ATOM 2203 CB ARG I 53 -10.002 27.698 41.769 1.00 19.99 C ATOM 2204 CG ARG I 53 -11.137 28.528 42.366 1.00 23.42 C ATOM 2205 CD ARG I 53 -10.741 29.985 42.597 1.00 26.63 C ATOM 2206 NE ARG I 53 -10.516 30.727 41.354 1.00 29.11 N ATOM 2207 CZ ARG I 53 -11.476 31.145 40.532 1.00 28.80 C ATOM 2208 NH1 ARG I 53 -12.752 30.899 40.798 1.00 30.70 N ATOM 2209 NH2 ARG I 53 -11.159 31.838 39.447 1.00 29.42 N ATOM 2210 N THR I 54 -11.333 26.603 39.169 1.00 16.47 N ATOM 2211 CA THR I 54 -12.364 26.721 38.147 1.00 15.43 C ATOM 2212 C THR I 54 -12.866 25.393 37.584 1.00 15.61 C ATOM 2213 O THR I 54 -14.068 25.207 37.391 1.00 14.95 O ATOM 2214 CB THR I 54 -11.854 27.578 36.963 1.00 14.30 C ATOM 2215 OG1 THR I 54 -11.374 28.837 37.452 1.00 15.67 O ATOM 2216 CG2 THR I 54 -12.967 27.824 35.952 1.00 14.95 C ATOM 2217 N CYS I 55 -11.945 24.464 37.355 1.00 15.84 N ATOM 2218 CA CYS I 55 -12.289 23.179 36.756 1.00 15.63 C ATOM 2219 C CYS I 55 -12.166 21.922 37.611 1.00 16.59 C ATOM 2220 O CYS I 55 -12.542 20.840 37.168 1.00 16.05 O ATOM 2221 CB CYS I 55 -11.474 22.996 35.477 1.00 15.08 C ATOM 2222 SG CYS I 55 -11.936 24.135 34.137 1.00 14.91 S ATOM 2223 N GLY I 56 -11.637 22.068 38.823 1.00 18.05 N ATOM 2224 CA GLY I 56 -11.461 20.931 39.718 1.00 20.96 C ATOM 2225 C GLY I 56 -12.742 20.216 40.096 1.00 24.13 C ATOM 2226 O GLY I 56 -12.716 19.025 40.442 1.00 24.17 O ATOM 2227 N GLY I 57 -13.861 20.934 40.043 1.00 26.10 N ATOM 2228 CA GLY I 57 -15.146 20.342 40.377 1.00 29.39 C ATOM 2229 C GLY I 57 -15.284 20.105 41.861 1.00 31.20 C ATOM 2230 O GLY I 57 -14.679 20.812 42.669 1.00 31.95 O ATOM 2231 N ALA I 58 -16.034 19.073 42.233 1.00 31.90 N ATOM 2232 CA ALA I 58 -16.227 18.775 43.647 1.00 33.25 C ATOM 2233 C ALA I 58 -16.527 17.301 43.901 1.00 34.21 C ATOM 2234 CB ALA I 58 -17.343 19.649 44.203 1.00 34.06 C TER 2235 ALA I 58 HETATM 2236 C1 EDO E 501 15.658 28.924 26.791 1.00 14.88 C HETATM 2237 O1 EDO E 501 14.269 28.563 26.828 1.00 13.59 O HETATM 2238 C2 EDO E 501 16.359 29.108 28.138 1.00 15.71 C HETATM 2239 O2 EDO E 501 15.647 29.913 29.100 1.00 14.65 O HETATM 2240 C1 EDO E 502 -5.954 49.434 8.943 1.00 32.75 C HETATM 2241 O1 EDO E 502 -5.444 49.083 10.235 1.00 31.77 O HETATM 2242 C2 EDO E 502 -5.522 48.561 7.762 1.00 32.81 C HETATM 2243 O2 EDO E 502 -6.302 47.369 7.555 1.00 33.42 O HETATM 2244 C1 EDO E 503 2.975 48.596 24.067 1.00 34.78 C HETATM 2245 O1 EDO E 503 2.246 49.645 23.422 1.00 34.15 O HETATM 2246 C2 EDO E 503 2.598 48.263 25.513 1.00 35.99 C HETATM 2247 O2 EDO E 503 1.227 48.512 25.871 1.00 37.15 O HETATM 2248 C1 EDO E 504 1.773 23.173 18.916 1.00 20.57 C HETATM 2249 O1 EDO E 504 2.691 23.466 17.863 1.00 16.86 O HETATM 2250 C2 EDO E 504 2.206 23.587 20.317 1.00 20.90 C HETATM 2251 O2 EDO E 504 3.579 23.297 20.633 1.00 20.61 O HETATM 2252 C1 EDO E 505 15.678 50.970 11.262 1.00 37.56 C HETATM 2253 O1 EDO E 505 14.806 52.028 10.846 1.00 38.01 O HETATM 2254 C2 EDO E 505 17.154 51.325 11.452 1.00 36.85 C HETATM 2255 O2 EDO E 505 17.416 52.394 12.378 1.00 36.92 O HETATM 2256 C1 EDO E 506 -7.280 35.082 12.255 1.00 28.82 C HETATM 2257 O1 EDO E 506 -8.160 36.183 12.472 1.00 32.05 O HETATM 2258 C2 EDO E 506 -7.805 33.719 12.672 1.00 30.04 C HETATM 2259 O2 EDO E 506 -8.836 33.203 11.831 1.00 24.80 O HETATM 2260 C1 AEDO E 507 -6.803 27.303 14.403 0.50 28.11 C HETATM 2261 O1 AEDO E 507 -8.057 27.529 15.045 0.50 26.36 O HETATM 2262 C2 AEDO E 507 -5.636 26.890 15.293 0.50 28.20 C HETATM 2263 O2 AEDO E 507 -4.505 26.371 14.590 0.50 28.75 O HETATM 2264 O1 APG4 E 509 10.788 23.048 -0.534 0.50 43.35 O HETATM 2265 O1 BPG4 E 509 10.978 22.508 -0.605 0.50 38.39 O HETATM 2266 C1 APG4 E 509 9.574 22.392 -0.207 0.50 43.38 C HETATM 2267 C1 BPG4 E 509 9.694 22.005 -0.317 0.50 37.95 C HETATM 2268 C2 APG4 E 509 8.497 22.381 -1.306 0.50 43.61 C HETATM 2269 C2 BPG4 E 509 8.595 22.616 -1.189 0.50 38.10 C HETATM 2270 O2 APG4 E 509 7.332 22.293 -0.498 0.50 43.26 O HETATM 2271 O2 BPG4 E 509 7.260 22.117 -0.903 0.50 37.79 O HETATM 2272 C3 APG4 E 509 7.074 20.903 -0.520 0.50 43.04 C HETATM 2273 C3 BPG4 E 509 7.107 21.677 0.458 0.50 37.12 C HETATM 2274 C4 APG4 E 509 7.001 20.572 0.968 0.50 42.78 C HETATM 2275 C4 BPG4 E 509 7.479 20.191 0.434 0.50 36.87 C HETATM 2276 O3 APG4 E 509 6.064 19.511 1.166 0.50 42.91 O HETATM 2277 O3 BPG4 E 509 6.324 19.437 0.726 0.50 37.17 O HETATM 2278 C5 APG4 E 509 6.434 18.532 2.171 0.50 42.36 C HETATM 2279 C5 BPG4 E 509 6.410 18.714 1.959 0.50 36.60 C HETATM 2280 C6 APG4 E 509 7.555 19.014 3.096 0.50 42.08 C HETATM 2281 C6 BPG4 E 509 7.685 18.959 2.770 0.50 36.11 C HETATM 2282 O4 APG4 E 509 8.058 17.984 3.930 0.50 41.95 O HETATM 2283 O4 BPG4 E 509 7.622 18.001 3.828 0.50 36.57 O HETATM 2284 C7 APG4 E 509 9.412 18.258 3.595 0.50 41.67 C HETATM 2285 C7 BPG4 E 509 8.895 17.419 4.150 0.50 36.04 C HETATM 2286 C8 APG4 E 509 10.277 18.422 4.824 0.50 41.69 C HETATM 2287 C8 BPG4 E 509 10.130 18.234 3.775 0.50 36.21 C HETATM 2288 O5 APG4 E 509 11.609 17.971 4.618 0.50 41.64 O HETATM 2289 O5 BPG4 E 509 10.913 18.272 4.967 0.50 36.48 O HETATM 2290 CA CA E 601 23.318 29.645 23.507 1.00 11.02 CA HETATM 2291 S ASO4 E 602 -14.522 33.609 14.002 0.33 28.41 S HETATM 2292 S BSO4 E 602 -14.499 33.359 14.011 0.33 27.85 S HETATM 2293 S CSO4 E 602 -14.494 33.353 13.970 0.33 27.96 S HETATM 2294 O1 ASO4 E 602 -13.726 33.154 12.845 0.33 29.50 O HETATM 2295 O1 BSO4 E 602 -13.572 34.447 14.377 0.33 28.55 O HETATM 2296 O1 CSO4 E 602 -13.091 33.460 14.413 0.33 28.44 O HETATM 2297 O2 ASO4 E 602 -13.680 33.625 15.205 0.33 29.04 O HETATM 2298 O2 BSO4 E 602 -15.890 33.839 14.123 0.33 28.65 O HETATM 2299 O2 CSO4 E 602 -15.163 34.656 14.155 0.33 29.14 O HETATM 2300 O3 ASO4 E 602 -15.645 32.681 14.235 0.33 29.60 O HETATM 2301 O3 BSO4 E 602 -14.299 32.213 14.919 0.33 28.34 O HETATM 2302 O3 CSO4 E 602 -15.184 32.327 14.775 0.33 29.07 O HETATM 2303 O4 ASO4 E 602 -15.030 34.970 13.752 0.33 29.00 O HETATM 2304 O4 BSO4 E 602 -14.242 32.938 12.621 0.33 29.21 O HETATM 2305 O4 CSO4 E 602 -14.541 32.976 12.545 0.33 28.77 O HETATM 2306 C1 EDO I 508 -17.650 23.852 23.775 1.00 23.59 C HETATM 2307 O1 EDO I 508 -17.691 25.215 23.343 1.00 22.07 O HETATM 2308 C2 EDO I 508 -17.826 23.605 25.271 1.00 24.41 C HETATM 2309 O2 EDO I 508 -16.986 24.404 26.121 1.00 24.72 O HETATM 2310 S SO4 I 603 -4.615 35.762 26.517 1.00 21.34 S HETATM 2311 O1 SO4 I 603 -5.564 36.797 26.971 1.00 23.67 O HETATM 2312 O2 SO4 I 603 -4.614 35.703 25.041 1.00 21.46 O HETATM 2313 O3 SO4 I 603 -5.010 34.448 27.067 1.00 21.27 O HETATM 2314 O4 SO4 I 603 -3.261 36.098 26.988 1.00 22.49 O HETATM 2315 S SO4 I 604 1.806 33.824 30.866 1.00 33.51 S HETATM 2316 O1 SO4 I 604 1.150 32.506 30.966 1.00 32.41 O HETATM 2317 O2 SO4 I 604 1.048 34.691 29.942 1.00 31.94 O HETATM 2318 O3 SO4 I 604 1.862 34.453 32.202 1.00 34.34 O HETATM 2319 O4 SO4 I 604 3.174 33.641 30.350 1.00 33.65 O HETATM 2320 S SO4 I 605 -16.134 26.280 16.133 1.00 16.04 S HETATM 2321 O1 SO4 I 605 -15.226 27.421 15.894 1.00 17.26 O HETATM 2322 O2 SO4 I 605 -16.748 26.414 17.470 1.00 17.40 O HETATM 2323 O3 SO4 I 605 -17.194 26.280 15.109 1.00 14.69 O HETATM 2324 O4 SO4 I 605 -15.368 25.025 16.064 1.00 14.93 O HETATM 2325 O HOH E 701 21.406 37.704 16.965 1.00 14.09 O HETATM 2326 O HOH E 702 2.703 54.465 17.496 1.00 23.99 O HETATM 2327 O HOH E 703 5.868 17.220 11.200 1.00 21.57 O HETATM 2328 O HOH E 704 16.347 55.310 19.435 1.00 22.01 O HETATM 2329 O HOH E 705 -8.978 34.276 -3.673 1.00 21.83 O HETATM 2330 O HOH E 706 11.526 33.082 15.056 1.00 7.35 O HETATM 2331 O HOH E 707 3.524 47.865 -3.211 1.00 31.61 O HETATM 2332 O HOH E 708 21.208 40.590 6.386 1.00 27.30 O HETATM 2333 O HOH E 709 14.395 25.947 26.204 1.00 27.69 O HETATM 2334 O HOH E 710 16.849 49.558 7.401 1.00 25.13 O HETATM 2335 O HOH E 711 -8.895 44.059 12.202 1.00 27.20 O HETATM 2336 O HOH E 712 12.011 31.638 17.455 1.00 6.83 O HETATM 2337 O HOH E 713 1.032 19.484 17.552 1.00 27.83 O HETATM 2338 O HOH E 714 13.096 18.790 8.345 1.00 27.91 O HETATM 2339 O HOH E 715 12.271 25.690 14.763 1.00 8.55 O HETATM 2340 O HOH E 716 15.508 34.748 8.507 1.00 7.92 O HETATM 2341 O HOH E 717 23.431 40.590 30.675 0.50 27.93 O HETATM 2342 O HOH E 718 14.538 27.756 30.315 1.00 28.67 O HETATM 2343 O HOH E 719 7.414 50.270 27.396 1.00 31.66 O HETATM 2344 O HOH E 720 20.365 38.506 4.642 1.00 27.60 O HETATM 2345 O HOH E 721 18.558 31.143 25.342 1.00 8.68 O HETATM 2346 O HOH E 722 25.321 39.630 27.813 1.00 28.08 O HETATM 2347 O HOH E 723 15.234 35.759 -3.263 1.00 29.90 O HETATM 2348 O HOH E 724 11.188 26.578 -1.276 1.00 27.51 O HETATM 2349 O HOH E 725 1.391 24.921 5.590 1.00 10.80 O HETATM 2350 O HOH E 726 13.518 38.163 -6.003 1.00 26.20 O HETATM 2351 O AHOH E 727 12.748 25.476 23.996 0.50 17.13 O HETATM 2352 O BHOH E 727 11.453 26.262 23.119 0.50 20.67 O HETATM 2353 O HOH E 728 12.955 22.255 11.040 1.00 10.82 O HETATM 2354 O AHOH E 729 17.541 35.362 3.182 0.50 22.77 O HETATM 2355 O BHOH E 729 16.835 34.363 1.511 0.50 25.41 O HETATM 2356 O HOH E 730 6.802 22.166 24.669 1.00 24.69 O HETATM 2357 O HOH E 731 4.537 17.536 8.716 1.00 30.74 O HETATM 2358 O HOH E 732 5.513 29.342 6.338 1.00 8.89 O HETATM 2359 O HOH E 733 11.583 17.195 14.124 1.00 28.99 O HETATM 2360 O HOH E 734 0.799 46.568 0.813 1.00 25.68 O HETATM 2361 O HOH E 735 3.131 32.246 10.187 1.00 9.12 O HETATM 2362 O HOH E 736 27.259 39.187 9.826 1.00 27.13 O HETATM 2363 O HOH E 737 25.110 40.349 8.135 1.00 30.51 O HETATM 2364 O HOH E 738 10.996 40.160 13.181 1.00 10.14 O HETATM 2365 O HOH E 739 1.593 51.862 20.988 1.00 30.21 O HETATM 2366 O HOH E 740 -14.276 37.137 8.766 1.00 29.88 O HETATM 2367 O HOH E 741 0.524 27.814 9.641 1.00 8.96 O HETATM 2368 O HOH E 742 21.057 46.356 8.381 1.00 31.94 O HETATM 2369 O HOH E 743 3.962 56.686 11.210 1.00 32.48 O HETATM 2370 O HOH E 744 -8.593 30.647 14.488 1.00 26.40 O HETATM 2371 O AHOH E 745 -8.026 46.725 12.060 0.50 16.79 O HETATM 2372 O BHOH E 745 -6.930 46.644 13.257 0.50 16.04 O HETATM 2373 O HOH E 746 1.468 27.036 -5.387 1.00 32.64 O HETATM 2374 O HOH E 747 -0.641 24.913 8.706 1.00 9.77 O HETATM 2375 O HOH E 748 -5.337 28.469 -1.533 1.00 31.15 O HETATM 2376 O HOH E 749 15.878 32.127 25.012 1.00 8.53 O HETATM 2377 O AHOH E 750 7.042 38.917 31.303 0.50 14.50 O HETATM 2378 O BHOH E 750 6.104 39.780 32.101 0.50 16.16 O HETATM 2379 O HOH E 751 4.126 31.120 31.259 1.00 30.53 O HETATM 2380 O HOH E 752 28.914 47.660 17.641 1.00 29.20 O HETATM 2381 O HOH E 753 19.881 35.156 19.041 1.00 12.12 O HETATM 2382 O HOH E 754 15.452 18.898 17.885 1.00 31.75 O HETATM 2383 O HOH E 755 0.042 36.255 0.366 1.00 12.17 O HETATM 2384 O HOH E 756 -11.538 29.552 -0.544 1.00 27.64 O HETATM 2385 O HOH E 757 -0.399 27.969 14.035 1.00 10.01 O HETATM 2386 O HOH E 758 -11.352 36.664 12.761 1.00 41.82 O HETATM 2387 O HOH E 759 4.908 27.717 -2.629 1.00 12.26 O HETATM 2388 O HOH E 760 3.503 26.481 4.283 1.00 10.54 O HETATM 2389 O HOH E 761 21.766 19.861 20.099 1.00 34.77 O HETATM 2390 O HOH E 762 8.884 20.124 24.985 1.00 36.17 O HETATM 2391 O HOH E 763 -0.958 39.352 11.043 1.00 12.27 O HETATM 2392 O HOH E 764 -0.201 17.999 0.365 1.00 37.20 O HETATM 2393 O HOH E 765 -5.645 28.766 -4.295 1.00 33.01 O HETATM 2394 O HOH E 766 9.296 60.511 14.926 1.00 26.94 O HETATM 2395 O HOH E 767 31.302 44.607 18.663 1.00 30.50 O HETATM 2396 O HOH E 768 16.414 48.081 2.178 1.00 27.91 O HETATM 2397 O HOH E 769 19.423 40.981 30.600 1.00 32.87 O HETATM 2398 O HOH E 770 2.034 30.899 -8.191 1.00 34.19 O HETATM 2399 O HOH E 771 0.377 39.595 24.729 1.00 28.41 O HETATM 2400 O HOH E 772 9.674 26.903 20.834 1.00 13.17 O HETATM 2401 O HOH E 773 16.142 19.076 6.900 1.00 33.75 O HETATM 2402 O AHOH E 774 9.880 57.178 7.356 0.50 25.71 O HETATM 2403 O BHOH E 774 10.106 58.066 8.504 0.50 21.68 O HETATM 2404 O HOH E 775 6.738 43.266 3.352 1.00 12.75 O HETATM 2405 O HOH E 776 22.244 30.360 25.391 1.00 14.27 O HETATM 2406 O AHOH E 777 21.696 22.040 27.445 0.50 21.74 O HETATM 2407 O BHOH E 777 23.085 23.157 28.581 0.50 20.59 O HETATM 2408 O HOH E 778 -2.095 39.478 22.198 1.00 31.06 O HETATM 2409 O HOH E 779 16.695 31.515 31.312 1.00 12.37 O HETATM 2410 O HOH E 780 13.037 41.734 -3.187 1.00 34.65 O HETATM 2411 O HOH E 781 -2.627 50.490 10.498 1.00 36.69 O HETATM 2412 O HOH E 782 26.874 49.064 18.993 1.00 32.86 O HETATM 2413 O HOH E 783 -9.946 38.637 3.627 1.00 30.70 O HETATM 2414 O HOH E 784 2.754 21.297 22.353 1.00 33.11 O HETATM 2415 O HOH E 785 -4.750 22.566 14.255 1.00 36.08 O HETATM 2416 O HOH E 786 1.021 29.696 -5.659 1.00 35.32 O HETATM 2417 O HOH E 787 5.381 55.971 17.169 1.00 38.39 O HETATM 2418 O HOH E 788 17.910 20.411 25.505 1.00 28.62 O HETATM 2419 O HOH E 789 7.306 33.560 31.396 1.00 33.34 O HETATM 2420 O HOH E 790 22.692 50.475 14.319 1.00 31.64 O HETATM 2421 O HOH E 791 5.404 14.702 20.797 1.00 32.01 O HETATM 2422 O HOH E 792 -11.188 30.595 9.422 1.00 15.47 O HETATM 2423 O HOH E 793 17.366 47.913 9.664 1.00 16.75 O HETATM 2424 O HOH E 794 17.029 52.526 26.432 1.00 37.72 O HETATM 2425 O HOH E 795 14.389 23.197 23.964 1.00 34.83 O HETATM 2426 O HOH E 796 -0.438 24.457 15.979 1.00 17.29 O HETATM 2427 O HOH E 797 -3.077 20.069 13.285 1.00 29.74 O HETATM 2428 O HOH E 798 -0.727 42.261 10.253 1.00 11.31 O HETATM 2429 O HOH E 799 21.984 45.128 5.922 1.00 35.21 O HETATM 2430 O HOH E 800 4.244 20.913 24.851 1.00 32.12 O HETATM 2431 O HOH E 801 -3.760 22.023 -1.009 1.00 33.95 O HETATM 2432 O HOH E 802 1.051 36.228 -8.510 1.00 36.82 O HETATM 2433 O HOH E 803 9.108 14.540 20.003 1.00 37.17 O HETATM 2434 O HOH E 804 13.579 22.374 4.284 1.00 13.18 O HETATM 2435 O HOH E 805 27.546 30.754 18.701 1.00 32.05 O HETATM 2436 O HOH E 806 -6.660 37.151 21.332 1.00 17.38 O HETATM 2437 O HOH E 807 -5.526 22.515 6.422 1.00 13.31 O HETATM 2438 O HOH E 808 5.017 44.136 -5.093 1.00 42.83 O HETATM 2439 O HOH E 809 4.630 32.200 -4.883 1.00 15.54 O HETATM 2440 O HOH E 810 20.527 53.163 17.433 1.00 36.12 O HETATM 2441 O HOH E 811 17.135 41.067 34.313 1.00 32.24 O HETATM 2442 O HOH E 812 4.688 47.450 29.346 1.00 38.45 O HETATM 2443 O HOH E 813 12.705 45.214 -2.338 1.00 38.37 O HETATM 2444 O HOH E 814 19.342 49.805 5.794 1.00 33.03 O HETATM 2445 O BHOH E 815 12.677 28.261 32.395 0.50 23.85 O HETATM 2446 O HOH E 816 13.844 24.888 3.189 1.00 16.72 O HETATM 2447 O HOH E 817 13.424 25.434 28.801 1.00 36.68 O HETATM 2448 O HOH E 818 20.054 43.080 5.571 1.00 16.62 O HETATM 2449 O AHOH E 819 8.479 16.835 10.215 0.50 28.08 O HETATM 2450 O BHOH E 819 9.254 17.452 8.577 0.50 24.03 O HETATM 2451 O HOH E 820 31.011 26.990 22.035 1.00 36.22 O HETATM 2452 O HOH E 821 1.612 46.261 -1.973 1.00 33.06 O HETATM 2453 O HOH E 822 -0.299 17.111 11.058 1.00 38.34 O HETATM 2454 O HOH E 823 15.627 52.233 8.014 1.00 38.88 O HETATM 2455 O HOH E 824 15.141 35.819 30.906 1.00 14.64 O HETATM 2456 O HOH E 825 21.665 46.900 29.549 1.00 33.16 O HETATM 2457 O HOH E 826 5.919 23.749 -4.232 1.00 42.42 O HETATM 2458 O AHOH E 827 11.775 40.191 -5.401 0.50 19.52 O HETATM 2459 O BHOH E 827 10.786 39.369 -6.535 0.50 16.62 O HETATM 2460 O HOH E 828 6.679 61.128 14.541 1.00 40.57 O HETATM 2461 O HOH E 829 18.072 21.061 17.447 1.00 18.83 O HETATM 2462 O HOH E 830 15.620 54.516 11.347 1.00 35.82 O HETATM 2463 O AHOH E 831 -8.842 36.265 3.263 0.50 28.10 O HETATM 2464 O HOH E 832 26.819 25.168 11.924 1.00 24.99 O HETATM 2465 O AHOH E 833 22.619 23.613 7.397 0.50 27.35 O HETATM 2466 O BHOH E 833 22.151 25.139 5.808 0.50 26.35 O HETATM 2467 O HOH E 834 3.162 40.139 -6.845 1.00 38.74 O HETATM 2468 O HOH E 835 -2.451 32.494 -8.049 1.00 34.20 O HETATM 2469 O HOH E 836 13.188 25.431 21.101 1.00 15.96 O HETATM 2470 O HOH E 837 9.515 56.831 25.176 1.00 34.54 O HETATM 2471 O HOH E 838 23.855 34.650 15.475 1.00 15.53 O HETATM 2472 O HOH E 839 5.015 29.402 -4.884 1.00 19.63 O HETATM 2473 O HOH E 840 5.902 56.334 20.065 1.00 36.06 O HETATM 2474 O HOH E 841 4.468 18.276 25.670 1.00 32.63 O HETATM 2475 O HOH E 842 12.971 41.920 -0.405 1.00 19.03 O HETATM 2476 O HOH E 843 14.339 18.387 13.658 1.00 37.55 O HETATM 2477 O HOH E 844 28.372 38.639 20.599 1.00 21.03 O HETATM 2478 O HOH E 845 -3.120 35.702 -8.352 1.00 40.20 O HETATM 2479 O HOH E 846 13.185 43.165 31.954 1.00 32.92 O HETATM 2480 O HOH E 847 -0.201 39.084 -5.493 1.00 29.46 O HETATM 2481 O HOH E 848 3.394 50.051 1.229 1.00 30.87 O HETATM 2482 O HOH E 849 -0.186 21.930 15.266 1.00 25.21 O HETATM 2483 O AHOH E 850 9.118 33.384 29.033 0.50 9.35 O HETATM 2484 O BHOH E 850 9.273 32.566 29.797 0.50 18.85 O HETATM 2485 O HOH E 851 -3.000 37.482 -6.076 1.00 18.58 O HETATM 2486 O AHOH E 852 4.868 31.849 28.531 0.50 15.41 O HETATM 2487 O AHOH E 853 7.349 30.685 28.884 0.50 20.65 O HETATM 2488 O AHOH E 854 -4.408 25.802 -1.628 0.50 22.33 O HETATM 2489 O BHOH E 854 -4.263 24.708 -1.593 0.50 24.79 O HETATM 2490 O HOH E 855 18.053 54.722 16.580 1.00 38.83 O HETATM 2491 O HOH E 856 0.674 50.968 8.062 1.00 35.84 O HETATM 2492 O HOH E 857 22.165 32.676 13.341 1.00 18.75 O HETATM 2493 O AHOH E 858 -13.197 31.225 14.389 0.50 23.69 O HETATM 2494 O HOH E 859 -2.618 46.067 21.905 1.00 25.68 O HETATM 2495 O HOH E 860 10.288 18.986 10.858 1.00 16.18 O HETATM 2496 O HOH E 861 13.311 35.475 -5.281 1.00 14.87 O HETATM 2497 O HOH E 862 19.946 29.319 5.483 1.00 19.17 O HETATM 2498 O HOH E 863 16.051 35.920 -0.423 1.00 21.14 O HETATM 2499 O HOH E 864 -7.852 38.015 10.397 1.00 18.20 O HETATM 2500 O HOH E 865 10.085 50.841 2.278 1.00 17.28 O HETATM 2501 O HOH E 866 4.168 52.822 8.090 1.00 21.16 O HETATM 2502 O HOH E 867 28.257 25.736 27.972 1.00 18.19 O HETATM 2503 O HOH E 868 25.250 44.862 11.520 1.00 17.87 O HETATM 2504 O HOH E 869 10.095 29.016 -4.071 1.00 20.20 O HETATM 2505 O HOH E 870 -5.161 19.684 6.863 1.00 18.02 O HETATM 2506 O HOH E 871 27.452 43.119 12.382 1.00 23.36 O HETATM 2507 O HOH E 872 2.599 26.158 -2.974 1.00 17.24 O HETATM 2508 O HOH E 873 1.520 39.328 28.112 1.00 21.30 O HETATM 2509 O HOH E 874 -1.906 48.536 20.385 1.00 19.69 O HETATM 2510 O HOH E 875 24.753 23.375 14.076 1.00 29.10 O HETATM 2511 O HOH E 876 16.668 20.010 11.636 1.00 23.91 O HETATM 2512 O HOH E 877 6.011 48.677 -2.421 1.00 18.04 O HETATM 2513 O HOH E 878 -5.072 44.728 20.583 1.00 17.76 O HETATM 2514 O HOH E 879 2.836 40.852 30.452 1.00 19.88 O HETATM 2515 O HOH E 880 11.643 44.221 30.023 1.00 17.32 O HETATM 2516 O HOH E 881 -0.575 21.269 12.702 1.00 17.82 O HETATM 2517 O HOH E 882 -4.825 48.256 19.673 1.00 19.02 O HETATM 2518 O HOH E 883 -12.194 31.126 6.791 1.00 18.09 O HETATM 2519 O HOH E 884 2.450 21.437 15.907 1.00 19.94 O HETATM 2520 O HOH E 885 14.774 31.784 33.329 1.00 18.20 O HETATM 2521 O HOH E 886 7.478 49.855 1.645 1.00 21.61 O HETATM 2522 O HOH E 887 26.138 31.704 20.939 1.00 22.24 O HETATM 2523 O HOH E 888 14.951 34.514 33.279 1.00 20.52 O HETATM 2524 O HOH E 889 22.757 30.487 14.925 1.00 22.47 O HETATM 2525 O HOH E 890 5.856 24.873 20.749 1.00 17.68 O HETATM 2526 O HOH E 891 19.235 36.002 5.506 1.00 19.77 O HETATM 2527 O HOH E 892 18.879 30.513 1.984 1.00 22.31 O HETATM 2528 O HOH E 893 13.023 19.472 11.157 1.00 22.13 O HETATM 2529 O HOH E 894 21.141 34.104 16.072 1.00 22.92 O HETATM 2530 O AHOH E 895 -2.223 26.399 15.531 0.50 10.91 O HETATM 2531 O BHOH E 895 -2.841 25.722 16.597 0.50 16.10 O HETATM 2532 O AHOH E 896 22.122 27.604 6.847 0.50 13.39 O HETATM 2533 O BHOH E 896 22.013 28.684 7.088 0.50 14.62 O HETATM 2534 O HOH E 897 -0.434 41.688 22.701 1.00 21.81 O HETATM 2535 O HOH E 898 24.131 44.015 8.966 1.00 22.10 O HETATM 2536 O HOH E 899 22.419 40.609 8.953 1.00 18.67 O HETATM 2537 O HOH E 900 -11.177 32.816 12.842 1.00 29.80 O HETATM 2538 O HOH E 901 3.069 37.139 24.494 1.00 18.27 O HETATM 2539 O HOH E 902 4.052 33.132 -7.516 1.00 23.81 O HETATM 2540 O HOH E 903 1.386 52.238 10.533 1.00 22.99 O HETATM 2541 O HOH E 904 20.955 19.566 13.525 1.00 24.92 O HETATM 2542 O HOH E 905 -7.023 45.370 4.249 1.00 26.23 O HETATM 2543 O HOH E 906 19.760 51.600 24.529 1.00 28.33 O HETATM 2544 O HOH E 907 10.502 19.116 22.901 1.00 24.57 O HETATM 2545 O HOH E 908 17.065 19.509 20.089 1.00 26.14 O HETATM 2546 O HOH E 909 14.537 56.659 12.896 1.00 23.63 O HETATM 2547 O HOH E 910 15.730 20.697 4.307 1.00 22.72 O HETATM 2548 O HOH E 911 12.266 25.006 0.827 1.00 21.89 O HETATM 2549 O HOH E 912 15.660 31.924 0.580 1.00 23.39 O HETATM 2550 O HOH E 913 -9.837 27.020 1.455 1.00 29.59 O HETATM 2551 O HOH E 914 19.395 19.946 9.433 1.00 25.91 O HETATM 2552 O HOH E 915 6.935 26.443 -4.079 1.00 24.88 O HETATM 2553 O HOH E 916 20.040 44.401 30.284 1.00 25.31 O HETATM 2554 O HOH E 917 9.563 26.463 -3.385 1.00 25.73 O HETATM 2555 O HOH E 918 10.679 15.401 12.078 1.00 28.71 O HETATM 2556 O HOH E 919 15.641 25.046 1.206 1.00 23.22 O HETATM 2557 O HOH E 920 -5.615 40.789 1.420 1.00 23.83 O HETATM 2558 O HOH E 921 25.152 22.938 20.485 1.00 25.65 O HETATM 2559 O HOH E 922 11.045 27.618 25.472 1.00 21.50 O HETATM 2560 O HOH E 923 7.865 29.375 -5.835 1.00 22.00 O HETATM 2561 O HOH E 924 4.195 15.436 12.624 1.00 26.54 O HETATM 2562 O HOH E 925 21.983 20.974 23.754 1.00 27.56 O HETATM 2563 O HOH E 926 6.451 41.994 0.457 1.00 24.69 O HETATM 2564 O HOH E 927 32.831 39.051 14.495 1.00 29.82 O HETATM 2565 O HOH E 928 20.653 31.484 4.009 1.00 29.33 O HETATM 2566 O HOH E 929 25.523 43.518 24.859 1.00 29.28 O HETATM 2567 O HOH E 930 18.543 37.407 1.569 1.00 27.27 O HETATM 2568 O HOH E 931 6.813 17.913 7.150 1.00 26.72 O HETATM 2569 O HOH E 932 -11.940 42.966 15.932 1.00 26.59 O HETATM 2570 O HOH I 701 -12.114 25.193 26.598 1.00 11.37 O HETATM 2571 O HOH I 702 -9.741 24.495 25.281 1.00 11.25 O HETATM 2572 O HOH I 703 -7.482 25.840 25.915 1.00 9.74 O HETATM 2573 O HOH I 704 -6.721 28.238 24.717 1.00 9.30 O HETATM 2574 O HOH I 705 -2.899 31.288 19.572 1.00 7.27 O HETATM 2575 O HOH I 706 -10.143 22.914 22.095 1.00 16.37 O HETATM 2576 O HOH I 707 -12.876 22.654 21.844 1.00 13.15 O HETATM 2577 O HOH I 708 -14.276 25.030 18.580 1.00 15.00 O HETATM 2578 O HOH I 709 0.664 21.772 24.007 1.00 18.48 O HETATM 2579 O HOH I 710 -12.261 14.750 35.863 1.00 19.03 O HETATM 2580 O HOH I 711 -5.141 25.048 17.981 1.00 15.88 O HETATM 2581 O HOH I 712 -4.430 22.735 20.228 1.00 21.47 O HETATM 2582 O HOH I 713 -17.225 20.108 26.815 1.00 16.68 O HETATM 2583 O HOH I 714 -14.556 18.787 21.206 1.00 18.79 O HETATM 2584 O HOH I 715 -16.465 17.770 23.523 1.00 19.25 O HETATM 2585 O HOH I 716 -10.830 31.029 20.001 1.00 23.52 O HETATM 2586 O HOH I 717 -7.297 35.557 23.972 1.00 18.95 O HETATM 2587 O HOH I 718 -20.140 27.280 29.872 1.00 21.04 O HETATM 2588 O HOH I 719 -5.646 32.120 35.215 1.00 24.40 O HETATM 2589 O HOH I 720 2.106 19.329 33.331 1.00 28.77 O HETATM 2590 O HOH I 721 -13.130 29.747 20.734 1.00 24.92 O HETATM 2591 O AHOH I 722 -10.378 17.800 29.796 0.50 12.05 O HETATM 2592 O BHOH I 722 -8.990 18.358 28.470 0.50 17.04 O HETATM 2593 O HOH I 723 -16.029 27.011 38.060 1.00 25.07 O HETATM 2594 O HOH I 724 -15.249 22.955 38.795 1.00 29.15 O HETATM 2595 O AHOH I 725 -0.640 27.155 41.378 0.50 21.07 O HETATM 2596 O BHOH I 725 -0.889 28.563 41.139 0.50 18.84 O HETATM 2597 O HOH I 726 -12.534 32.210 25.342 1.00 34.35 O HETATM 2598 O HOH I 727 -12.278 13.373 38.412 1.00 38.08 O HETATM 2599 O HOH I 728 -9.530 30.898 17.072 1.00 28.65 O HETATM 2600 O HOH I 729 4.196 37.433 31.274 1.00 27.07 O HETATM 2601 O HOH I 730 -16.590 27.691 21.761 1.00 30.95 O HETATM 2602 O HOH I 731 -13.980 30.406 23.412 1.00 31.56 O HETATM 2603 O HOH I 732 -8.729 31.495 28.873 1.00 26.44 O HETATM 2604 O HOH I 733 -11.177 30.517 31.876 1.00 26.48 O HETATM 2605 O HOH I 734 -5.633 19.617 21.844 1.00 27.73 O HETATM 2606 O HOH I 735 -10.562 17.262 39.717 1.00 31.55 O HETATM 2607 O HOH I 736 2.023 36.230 27.005 1.00 26.72 O HETATM 2608 O HOH I 737 -17.625 25.988 40.141 1.00 30.67 O HETATM 2609 O HOH I 738 1.570 18.621 30.036 1.00 30.66 O HETATM 2610 O HOH I 739 0.052 19.319 26.796 1.00 38.84 O HETATM 2611 O HOH I 740 -2.229 21.834 22.766 1.00 36.83 O HETATM 2612 O HOH I 741 -7.248 33.896 28.672 1.00 29.98 O HETATM 2613 O HOH I 742 5.050 34.871 31.115 1.00 35.05 O HETATM 2614 O HOH I 743 3.822 22.008 27.954 1.00 34.51 O HETATM 2615 O HOH I 744 -12.947 16.539 21.400 1.00 28.99 O HETATM 2616 O HOH I 745 -7.184 25.873 43.542 1.00 30.79 O HETATM 2617 O HOH I 746 -14.083 15.937 40.017 1.00 35.23 O HETATM 2618 O HOH I 747 -4.187 11.996 30.073 1.00 37.76 O HETATM 2619 O HOH I 748 -4.622 38.034 23.345 1.00 32.06 O HETATM 2620 O HOH I 749 -17.546 31.182 31.349 1.00 32.04 O HETATM 2621 O HOH I 750 -11.969 31.217 36.227 1.00 30.85 O HETATM 2622 O HOH I 751 -2.540 38.171 28.674 1.00 38.57 O HETATM 2623 O AHOH I 752 -0.351 37.216 23.494 0.50 21.04 O HETATM 2624 O BHOH I 752 -0.958 36.316 25.062 0.50 24.39 O HETATM 2625 O HOH I 753 -16.864 28.861 36.061 1.00 30.37 O HETATM 2626 O HOH I 754 -8.378 31.767 32.529 1.00 32.50 O HETATM 2627 O HOH I 755 -11.422 32.902 29.959 1.00 33.31 O HETATM 2628 O HOH I 756 -19.318 28.868 32.099 1.00 35.74 O HETATM 2629 O HOH I 757 -9.212 14.257 29.260 1.00 36.49 O HETATM 2630 O HOH I 758 -10.515 15.633 20.652 1.00 34.39 O HETATM 2631 O HOH I 759 0.912 27.625 38.778 1.00 41.86 O HETATM 2632 O HOH I 760 2.126 24.254 39.388 1.00 36.93 O HETATM 2633 O HOH I 761 1.241 30.261 32.724 1.00 31.38 O HETATM 2634 O HOH I 762 -0.640 16.836 29.309 1.00 35.84 O HETATM 2635 O HOH I 763 1.855 32.748 34.339 1.00 35.55 O HETATM 2636 O HOH I 764 -11.861 22.754 42.705 1.00 35.55 O HETATM 2637 O AHOH I 765 7.819 29.482 26.342 0.50 11.79 O HETATM 2638 O HOH I 766 -3.481 20.036 39.163 1.00 32.81 O HETATM 2639 O HOH I 767 -9.888 34.652 23.849 1.00 29.25 O CONECT 48 1099 CONECT 225 340 CONECT 340 225 CONECT 430 2290 CONECT 445 2290 CONECT 469 2290 CONECT 488 2290 CONECT 510 2290 CONECT 903 1640 CONECT 946 1435 CONECT 1099 48 CONECT 1178 1291 CONECT 1291 1178 CONECT 1367 1538 CONECT 1435 946 CONECT 1538 1367 CONECT 1640 903 CONECT 1800 2222 CONECT 1867 2063 CONECT 2003 2190 CONECT 2063 1867 CONECT 2190 2003 CONECT 2222 1800 CONECT 2236 2237 2238 CONECT 2237 2236 CONECT 2238 2236 2239 CONECT 2239 2238 CONECT 2240 2241 2242 CONECT 2241 2240 CONECT 2242 2240 2243 CONECT 2243 2242 CONECT 2244 2245 2246 CONECT 2245 2244 CONECT 2246 2244 2247 CONECT 2247 2246 CONECT 2248 2249 2250 CONECT 2249 2248 CONECT 2250 2248 2251 CONECT 2251 2250 CONECT 2252 2253 2254 CONECT 2253 2252 CONECT 2254 2252 2255 CONECT 2255 2254 CONECT 2256 2257 2258 CONECT 2257 2256 CONECT 2258 2256 2259 CONECT 2259 2258 CONECT 2260 2261 2262 CONECT 2261 2260 CONECT 2262 2260 2263 CONECT 2263 2262 CONECT 2264 2266 CONECT 2265 2267 CONECT 2266 2264 2268 CONECT 2267 2265 2269 CONECT 2268 2266 2270 CONECT 2269 2267 2271 CONECT 2270 2268 2272 CONECT 2271 2269 2273 CONECT 2272 2270 2274 CONECT 2273 2271 2275 CONECT 2274 2272 2276 CONECT 2275 2273 2277 CONECT 2276 2274 2278 CONECT 2277 2275 2279 CONECT 2278 2276 2280 CONECT 2279 2277 2281 CONECT 2280 2278 2282 CONECT 2281 2279 2283 CONECT 2282 2280 2284 CONECT 2283 2281 2285 CONECT 2284 2282 2286 CONECT 2285 2283 2287 CONECT 2286 2284 2288 CONECT 2287 2285 2289 CONECT 2288 2286 CONECT 2289 2287 CONECT 2290 430 445 469 488 CONECT 2290 510 2405 CONECT 2291 2294 2297 2300 2303 CONECT 2292 2295 2298 2301 2304 CONECT 2293 2296 2299 2302 2305 CONECT 2294 2291 CONECT 2295 2292 CONECT 2296 2293 CONECT 2297 2291 CONECT 2298 2292 CONECT 2299 2293 CONECT 2300 2291 CONECT 2301 2292 CONECT 2302 2293 CONECT 2303 2291 CONECT 2304 2292 CONECT 2305 2293 CONECT 2306 2307 2308 CONECT 2307 2306 CONECT 2308 2306 2309 CONECT 2309 2308 CONECT 2310 2311 2312 2313 2314 CONECT 2311 2310 CONECT 2312 2310 CONECT 2313 2310 CONECT 2314 2310 CONECT 2315 2316 2317 2318 2319 CONECT 2316 2315 CONECT 2317 2315 CONECT 2318 2315 CONECT 2319 2315 CONECT 2320 2321 2322 2323 2324 CONECT 2321 2320 CONECT 2322 2320 CONECT 2323 2320 CONECT 2324 2320 CONECT 2405 2290 MASTER 360 0 14 5 16 0 29 6 2466 2 114 23 END
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Related entries of code: 3fp6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
58aa, >1BTH_3|Chains... at 100%
1cbw
RCSB PDB
PDBbind
58aa, >1CBW_4|Chains... at 100%
1eaw
RCSB PDB
PDBbind
58aa, >1EAW_2|Chains... at 100%
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RCSB PDB
PDBbind
65aa, >1F5R_2|Chain... *
1f7z
RCSB PDB
PDBbind
65aa, >1F7Z_2|Chain... at 100%
1fy8
RCSB PDB
PDBbind
58aa, >1FY8_2|Chain... at 100%
1mtn
RCSB PDB
PDBbind
58aa, >1MTN_4|Chains... at 100%
2ftl
RCSB PDB
PDBbind
58aa, >2FTL_2|Chain... at 100%
2ftm
RCSB PDB
PDBbind
58aa, >2FTM_2|Chain... at 98%
2ijo
RCSB PDB
PDBbind
58aa, >2IJO_3|Chain... at 100%
2ptc
RCSB PDB
PDBbind
58aa, >2PTC_2|Chain... at 100%
2r9p
RCSB PDB
PDBbind
58aa, >2R9P_2|Chains... at 100%
2ra3
RCSB PDB
PDBbind
58aa, >2RA3_2|Chains... at 100%
2tgp
RCSB PDB
PDBbind
58aa, >2TGP_2|Chain... at 100%
2tpi
RCSB PDB
PDBbind
58aa, >2TPI_2|Chain... at 100%
3p92
RCSB PDB
PDBbind
58aa, >3P92_2|Chain... at 96%
3p95
RCSB PDB
PDBbind
58aa, >3P95_2|Chain... at 96%
3tgk
RCSB PDB
PDBbind
65aa, >3TGK_2|Chain... at 100%
4dg4
RCSB PDB
PDBbind
58aa, >4DG4_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1cbw
RCSB PDB
PDBbind
58-mer
1fak
RCSB PDB
PDBbind
58-mer
3mzw
RCSB PDB
PDBbind
58-mer
Entry Information
PDB ID
3fp6
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Anionic trypsin-2
Ligand Name
58-mer
EC.Number
E.C.3.4.21.4
Resolution
1.49(Å)
Affinity (Kd/Ki/IC50)
Kd=0.1pM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 11034-11039
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00763
P00974
Entrez Gene ID
NCBI Entrez Gene ID:
25052
ASD
Information of known allosteric effects of PDB entries
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