Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/ HYDROLASE INHIBITOR 19-JUL-98 3TGK TITLE TRYPSINOGEN MUTANT D194N AND DELETION OF ILE 16-VAL 17 COMPLEXED WITH TITLE 2 BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; COMPND 3 CHAIN: E; COMPND 4 EC: 3.4.21.4; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 9 CHAIN: I; COMPND 10 SYNONYM: BPTI SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: SACCHAROMYCES; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 4930; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PYT; SOURCE 9 MOL_ID: 2; SOURCE 10 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 11 ORGANISM_COMMON: CATTLE; SOURCE 12 ORGANISM_TAXID: 9913 KEYWDS SERINE PROTEASE, COMPLEX (SERINE PROTEASE-INHIBITOR), HYDROLASE- KEYWDS 2 HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.PASTERNAK,A.WHITE,C.J.JEFFERY,N.MEDINA,M.CAHOON,D.RINGE,L.HEDSTROM REVDAT 3 04-APR-18 3TGK 1 REMARK REVDAT 2 24-FEB-09 3TGK 1 VERSN REVDAT 1 04-JUL-01 3TGK 0 JRNL AUTH A.PASTERNAK,A.WHITE,C.J.JEFFERY,N.MEDINA,M.CAHOON,D.RINGE, JRNL AUTH 2 L.HEDSTROM JRNL TITL THE ENERGETIC COST OF INDUCED FIT CATALYSIS: CRYSTAL JRNL TITL 2 STRUCTURES OF TRYPSINOGEN MUTANTS WITH ENHANCED ACTIVITY AND JRNL TITL 3 INHIBITOR AFFINITY. JRNL REF PROTEIN SCI. V. 10 1331 2001 JRNL REFN ISSN 0961-8368 JRNL PMID 11420435 JRNL DOI 10.1110/PS.44101 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 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) (%) : 95.8 REMARK 3 NUMBER OF REFLECTIONS : 32654 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) : 0.184 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.78 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3326 REMARK 3 BIN R VALUE (WORKING SET) : 0.2620 REMARK 3 BIN FREE R VALUE : 0.2640 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 379 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 : 2065 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 16 REMARK 3 SOLVENT ATOMS : 210 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.600 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.890 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CA.PARAM REMARK 3 PARAMETER FILE 3 : SO4.PARAM REMARK 3 PARAMETER FILE 4 : WATER.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : CA.TOP REMARK 3 TOPOLOGY FILE 3 : SO4.TOP REMARK 3 TOPOLOGY FILE 4 : WATER.TOPH REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ALSO TOPH19.PEP USED REMARK 4 REMARK 4 3TGK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-98. REMARK 100 THE DEPOSITION ID IS D_1000001545. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 277 REMARK 200 PH : 8.5 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 : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32654 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.8 REMARK 200 DATA REDUNDANCY : 5.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.05700 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 48.56 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M LISO4, 0.1 M TRIS, PH 8.5 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 41.35333 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 20.67667 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 20.67667 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 41.35333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2160 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -63.0 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU E 6 REMARK 465 ALA E 7 REMARK 465 PHE E 8 REMARK 465 PRO E 9 REMARK 465 VAL E 10 REMARK 465 ASP E 11 REMARK 465 ASP E 12 REMARK 465 ASP E 13 REMARK 465 ASP E 14 REMARK 465 THR E 144 REMARK 465 LEU E 145 REMARK 465 SER E 146 REMARK 465 SER E 147 REMARK 465 GLY E 148 REMARK 465 GLY I 57 REMARK 465 ALA I 58 REMARK 465 ILE I 59 REMARK 465 GLY I 60 REMARK 465 PRO I 61 REMARK 465 TRP I 62 REMARK 465 GLU I 63 REMARK 465 ASN I 64 REMARK 465 LEU I 65 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 LYS E 15 CG CD CE NZ REMARK 470 LYS I 26 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH E 641 O HOH E 642 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS E 71 -63.55 -133.36 REMARK 500 SER E 214 -72.75 -122.38 REMARK 500 ASN E 224 71.75 -150.45 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 500 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 70 OE1 REMARK 620 2 VAL E 75 O 157.6 REMARK 620 3 GLU E 80 OE2 100.3 87.0 REMARK 620 4 HOH E 513 O 77.5 81.5 88.9 REMARK 620 5 ASN E 72 O 93.0 83.4 164.7 101.4 REMARK 620 6 GLU E 77 OE1 93.3 108.7 82.9 166.4 88.9 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: THE CATALYTIC TRIAD REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA E 500 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 990 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 991 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 I 992 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1F5R RELATED DB: PDB REMARK 900 1F5R IS THE CRYSTAL STRUCTURE OF DELTAI16V17/Q156K TRYPSINOGEN REMARK 900 COMPLEXED WITH BPTI REMARK 900 RELATED ID: 1F7Z RELATED DB: PDB REMARK 900 1F7Z IS THE CRYSTAL STRUCTURE OF K15A TRYPSINOGEN COMPLEXED WITH REMARK 900 BPTI REMARK 900 RELATED ID: 1FY8 RELATED DB: PDB REMARK 900 1FY8 IS THE CRYSTAL STRUCTURE OF THE DELTAI16V17 TRYPSINOGEN REMARK 900 COMPLEXED WITH BPTI DBREF 3TGK E 7 236 UNP P00763 TRY2_RAT 15 246 DBREF 3TGK I 1 65 UNP P00974 BPT1_BOVIN 36 100 SEQADV 3TGK GLU E 6 UNP P00763 CLONING ARTIFACT SEQADV 3TGK E UNP P00763 ILE 24 DELETION SEQADV 3TGK E UNP P00763 VAL 25 DELETION SEQADV 3TGK ASP E 189 UNP P00763 ASN 199 ENGINEERED SEQRES 1 E 231 GLU ALA PHE PRO VAL ASP ASP ASP ASP LYS GLY GLY TYR SEQRES 2 E 231 THR CYS GLN GLU ASN SER VAL PRO TYR GLN VAL SER LEU SEQRES 3 E 231 ASN SER GLY TYR HIS PHE CYS GLY GLY SER LEU ILE ASN SEQRES 4 E 231 ASP GLN TRP VAL VAL SER ALA ALA HIS CYS TYR LYS SER SEQRES 5 E 231 ARG ILE GLN VAL ARG LEU GLY GLU HIS ASN ILE ASN VAL SEQRES 6 E 231 LEU GLU GLY ASN GLU GLN PHE VAL ASN ALA ALA LYS ILE SEQRES 7 E 231 ILE LYS HIS PRO ASN PHE ASP ARG LYS THR LEU ASN ASN SEQRES 8 E 231 ASP ILE MET LEU ILE LYS LEU SER SER PRO VAL LYS LEU SEQRES 9 E 231 ASN ALA ARG VAL ALA THR VAL ALA LEU PRO SER SER CYS SEQRES 10 E 231 ALA PRO ALA GLY THR GLN CYS LEU ILE SER GLY TRP GLY SEQRES 11 E 231 ASN THR LEU SER SER GLY VAL ASN GLU PRO ASP LEU LEU SEQRES 12 E 231 GLN CYS LEU ASP ALA PRO LEU LEU PRO GLN ALA ASP CYS SEQRES 13 E 231 GLU ALA SER TYR PRO GLY LYS ILE THR ASP ASN MET VAL SEQRES 14 E 231 CYS VAL GLY PHE LEU GLU GLY GLY LYS ASP SER CYS GLN SEQRES 15 E 231 GLY ASN SER GLY GLY PRO VAL VAL CYS ASN GLY GLU LEU SEQRES 16 E 231 GLN GLY ILE VAL SER TRP GLY TYR GLY CYS ALA LEU PRO SEQRES 17 E 231 ASP ASN PRO GLY VAL TYR THR LYS VAL CYS ASN TYR VAL SEQRES 18 E 231 ASP TRP ILE GLN ASP THR ILE ALA ALA ASN SEQRES 1 I 65 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 65 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 65 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 65 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 65 ARG THR CYS GLY GLY ALA ILE GLY PRO TRP GLU ASN LEU HET CA E 500 1 HET SO4 I 990 5 HET SO4 I 991 5 HET SO4 I 992 5 HETNAM CA CALCIUM ION HETNAM SO4 SULFATE ION FORMUL 3 CA CA 2+ FORMUL 4 SO4 3(O4 S 2-) FORMUL 7 HOH *210(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 ALA E 244 1 11 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 N CYS E 157 O TYR E 20 SHEET 3 A 7 GLN E 135 GLY E 140 -1 N CYS E 136 O ALA E 160 SHEET 4 A 7 PRO E 198 CYS E 201 -1 O PRO E 198 N SER E 139 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 N VAL E 227 O TRP E 215 SHEET 7 A 7 MET E 180 VAL E 183 -1 O VAL E 181 N 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 N PHE E 41 O LEU E 33 SHEET 3 B 7 TRP E 51 SER E 54 -1 O TRP E 51 N ILE E 47 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 ALA E 86 O LYS E 107 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 O SER E 32 N 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 LEU I 29 N ASN I 24 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 2.02 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.03 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 CA CA E 500 OE1 GLU E 70 1555 1555 2.31 LINK CA CA E 500 O VAL E 75 1555 1555 2.30 LINK CA CA E 500 OE2 GLU E 80 1555 1555 2.30 LINK CA CA E 500 O HOH E 513 1555 1555 2.53 LINK CA CA E 500 O ASN E 72 1555 1555 2.41 LINK CA CA E 500 OE1 GLU E 77 1555 1555 2.42 SITE 1 CAT 3 HIS E 57 ASP E 102 SER E 195 SITE 1 AC1 6 GLU E 70 ASN E 72 VAL E 75 GLU E 77 SITE 2 AC1 6 GLU E 80 HOH E 513 SITE 1 AC2 3 PHE I 4 ARG I 42 HOH I 538 SITE 1 AC3 5 GLN E 239 ARG I 20 TYR I 35 HOH I 636 SITE 2 AC3 5 HOH I 671 SITE 1 AC4 4 LYS E 60 ILE I 18 ARG I 20 LYS I 46 CRYST1 92.580 92.580 62.030 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 0.010801 0.006236 0.000000 0.00000 SCALE2 0.000000 0.012472 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016121 0.00000 ATOM 1 N LYS E 15 -24.588 -85.249 -0.171 1.00 42.99 N ATOM 2 CA LYS E 15 -23.648 -84.088 -0.155 1.00 42.77 C ATOM 3 C LYS E 15 -23.103 -83.856 1.254 1.00 41.45 C ATOM 4 O LYS E 15 -22.489 -84.750 1.839 1.00 40.55 O ATOM 5 CB LYS E 15 -24.359 -82.836 -0.663 1.00 43.58 C ATOM 6 N GLY E 18 -23.314 -82.658 1.794 1.00 40.52 N ATOM 7 CA GLY E 18 -22.841 -82.364 3.137 1.00 37.44 C ATOM 8 C GLY E 18 -21.510 -81.640 3.229 1.00 35.41 C ATOM 9 O GLY E 18 -21.193 -81.053 4.266 1.00 36.81 O ATOM 10 N GLY E 19 -20.725 -81.675 2.158 1.00 32.77 N ATOM 11 CA GLY E 19 -19.438 -81.007 2.189 1.00 28.55 C ATOM 12 C GLY E 19 -19.577 -79.506 2.038 1.00 25.64 C ATOM 13 O GLY E 19 -20.686 -78.973 1.989 1.00 27.18 O ATOM 14 N TYR E 20 -18.446 -78.819 1.995 1.00 19.89 N ATOM 15 CA TYR E 20 -18.429 -77.379 1.810 1.00 15.67 C ATOM 16 C TYR E 20 -17.329 -77.173 0.791 1.00 14.58 C ATOM 17 O TYR E 20 -16.473 -78.040 0.620 1.00 14.53 O ATOM 18 CB TYR E 20 -18.105 -76.650 3.122 1.00 15.09 C ATOM 19 CG TYR E 20 -16.868 -77.150 3.835 1.00 14.12 C ATOM 20 CD1 TYR E 20 -16.947 -78.182 4.768 1.00 13.00 C ATOM 21 CD2 TYR E 20 -15.619 -76.587 3.583 1.00 13.08 C ATOM 22 CE1 TYR E 20 -15.809 -78.642 5.433 1.00 10.69 C ATOM 23 CE2 TYR E 20 -14.477 -77.038 4.240 1.00 12.65 C ATOM 24 CZ TYR E 20 -14.579 -78.066 5.163 1.00 10.59 C ATOM 25 OH TYR E 20 -13.443 -78.519 5.796 1.00 10.46 O ATOM 26 N THR E 21 -17.354 -76.049 0.089 1.00 13.15 N ATOM 27 CA THR E 21 -16.321 -75.799 -0.900 1.00 12.87 C ATOM 28 C THR E 21 -15.016 -75.542 -0.167 1.00 11.76 C ATOM 29 O THR E 21 -14.974 -74.751 0.771 1.00 12.83 O ATOM 30 CB THR E 21 -16.658 -74.586 -1.779 1.00 13.73 C ATOM 31 OG1 THR E 21 -17.927 -74.795 -2.404 1.00 16.16 O ATOM 32 CG2 THR E 21 -15.597 -74.401 -2.850 1.00 14.42 C ATOM 33 N CYS E 22 -13.957 -76.227 -0.582 1.00 10.03 N ATOM 34 CA CYS E 22 -12.662 -76.050 0.049 1.00 10.66 C ATOM 35 C CYS E 22 -12.141 -74.668 -0.260 1.00 12.44 C ATOM 36 O CYS E 22 -12.500 -74.061 -1.269 1.00 11.54 O ATOM 37 CB CYS E 22 -11.628 -77.043 -0.481 1.00 10.94 C ATOM 38 SG CYS E 22 -12.097 -78.786 -0.502 1.00 10.11 S ATOM 39 N GLN E 23 -11.292 -74.168 0.620 1.00 13.51 N ATOM 40 CA GLN E 23 -10.677 -72.880 0.388 1.00 14.98 C ATOM 41 C GLN E 23 -9.753 -73.148 -0.806 1.00 14.55 C ATOM 42 O GLN E 23 -9.108 -74.197 -0.864 1.00 13.70 O ATOM 43 CB GLN E 23 -9.869 -72.465 1.611 1.00 16.49 C ATOM 44 CG GLN E 23 -9.060 -71.215 1.396 1.00 17.71 C ATOM 45 CD GLN E 23 -8.282 -70.825 2.621 1.00 20.66 C ATOM 46 OE1 GLN E 23 -7.745 -71.680 3.337 1.00 20.30 O ATOM 47 NE2 GLN E 23 -8.212 -69.524 2.880 1.00 21.27 N ATOM 48 N GLU E 24 -9.700 -72.217 -1.756 1.00 15.10 N ATOM 49 CA GLU E 24 -8.873 -72.382 -2.951 1.00 16.73 C ATOM 50 C GLU E 24 -7.438 -72.802 -2.661 1.00 15.45 C ATOM 51 O GLU E 24 -6.735 -72.167 -1.873 1.00 14.79 O ATOM 52 CB GLU E 24 -8.865 -71.098 -3.794 1.00 20.95 C ATOM 53 CG GLU E 24 -8.089 -71.244 -5.105 1.00 30.88 C ATOM 54 CD GLU E 24 -8.027 -69.962 -5.930 1.00 35.57 C ATOM 55 OE1 GLU E 24 -8.516 -68.912 -5.457 1.00 38.60 O ATOM 56 OE2 GLU E 24 -7.484 -70.007 -7.059 1.00 38.34 O ATOM 57 N ASN E 25 -7.019 -73.879 -3.324 1.00 13.64 N ATOM 58 CA ASN E 25 -5.683 -74.450 -3.189 1.00 14.41 C ATOM 59 C ASN E 25 -5.294 -74.831 -1.753 1.00 14.29 C ATOM 60 O ASN E 25 -4.109 -74.865 -1.420 1.00 16.29 O ATOM 61 CB ASN E 25 -4.630 -73.496 -3.769 1.00 17.50 C ATOM 62 CG ASN E 25 -4.956 -73.053 -5.186 1.00 20.77 C ATOM 63 OD1 ASN E 25 -4.864 -73.832 -6.136 1.00 21.87 O ATOM 64 ND2 ASN E 25 -5.335 -71.793 -5.333 1.00 22.43 N ATOM 65 N SER E 26 -6.282 -75.133 -0.910 1.00 12.69 N ATOM 66 CA SER E 26 -5.999 -75.526 0.471 1.00 11.83 C ATOM 67 C SER E 26 -5.715 -77.030 0.595 1.00 11.85 C ATOM 68 O SER E 26 -5.292 -77.507 1.646 1.00 10.73 O ATOM 69 CB SER E 26 -7.153 -75.121 1.399 1.00 10.46 C ATOM 70 OG SER E 26 -8.343 -75.835 1.134 1.00 8.82 O ATOM 71 N VAL E 27 -5.944 -77.768 -0.491 1.00 10.76 N ATOM 72 CA VAL E 27 -5.692 -79.213 -0.543 1.00 10.60 C ATOM 73 C VAL E 27 -4.782 -79.381 -1.767 1.00 11.33 C ATOM 74 O VAL E 27 -5.198 -79.913 -2.795 1.00 11.38 O ATOM 75 CB VAL E 27 -7.017 -80.006 -0.753 1.00 10.20 C ATOM 76 CG1 VAL E 27 -6.769 -81.503 -0.592 1.00 9.27 C ATOM 77 CG2 VAL E 27 -8.069 -79.531 0.246 1.00 11.62 C ATOM 78 N PRO E 28 -3.508 -78.973 -1.647 1.00 10.70 N ATOM 79 CA PRO E 28 -2.547 -79.051 -2.756 1.00 9.86 C ATOM 80 C PRO E 28 -2.118 -80.411 -3.306 1.00 8.12 C ATOM 81 O PRO E 28 -1.526 -80.479 -4.386 1.00 8.19 O ATOM 82 CB PRO E 28 -1.360 -78.223 -2.253 1.00 10.93 C ATOM 83 CG PRO E 28 -1.419 -78.374 -0.775 1.00 11.33 C ATOM 84 CD PRO E 28 -2.877 -78.478 -0.408 1.00 10.30 C ATOM 85 N TYR E 29 -2.402 -81.483 -2.572 1.00 7.56 N ATOM 86 CA TYR E 29 -2.034 -82.830 -3.000 1.00 7.34 C ATOM 87 C TYR E 29 -3.157 -83.482 -3.807 1.00 8.18 C ATOM 88 O TYR E 29 -2.986 -84.572 -4.359 1.00 7.79 O ATOM 89 CB TYR E 29 -1.725 -83.700 -1.776 1.00 7.88 C ATOM 90 CG TYR E 29 -2.746 -83.583 -0.663 1.00 7.50 C ATOM 91 CD1 TYR E 29 -3.916 -84.343 -0.673 1.00 8.35 C ATOM 92 CD2 TYR E 29 -2.549 -82.697 0.399 1.00 9.06 C ATOM 93 CE1 TYR E 29 -4.867 -84.223 0.347 1.00 8.00 C ATOM 94 CE2 TYR E 29 -3.488 -82.569 1.419 1.00 10.47 C ATOM 95 CZ TYR E 29 -4.648 -83.334 1.386 1.00 9.18 C ATOM 96 OH TYR E 29 -5.594 -83.191 2.380 1.00 9.80 O ATOM 97 N GLN E 30 -4.305 -82.812 -3.866 1.00 7.30 N ATOM 98 CA GLN E 30 -5.454 -83.334 -4.596 1.00 7.75 C ATOM 99 C GLN E 30 -5.275 -83.205 -6.107 1.00 8.70 C ATOM 100 O GLN E 30 -4.882 -82.149 -6.613 1.00 10.68 O ATOM 101 CB GLN E 30 -6.725 -82.589 -4.183 1.00 7.38 C ATOM 102 CG GLN E 30 -7.955 -82.919 -5.022 1.00 7.74 C ATOM 103 CD GLN E 30 -8.669 -84.180 -4.568 1.00 8.26 C ATOM 104 OE1 GLN E 30 -8.932 -85.085 -5.366 1.00 11.79 O ATOM 105 NE2 GLN E 30 -8.989 -84.246 -3.287 1.00 7.89 N ATOM 106 N VAL E 31 -5.548 -84.282 -6.833 1.00 8.22 N ATOM 107 CA VAL E 31 -5.455 -84.223 -8.285 1.00 8.62 C ATOM 108 C VAL E 31 -6.776 -84.668 -8.883 1.00 7.85 C ATOM 109 O VAL E 31 -7.614 -85.261 -8.197 1.00 6.51 O ATOM 110 CB VAL E 31 -4.319 -85.124 -8.867 1.00 9.41 C ATOM 111 CG1 VAL E 31 -2.998 -84.798 -8.199 1.00 11.55 C ATOM 112 CG2 VAL E 31 -4.666 -86.591 -8.719 1.00 8.67 C ATOM 113 N SER E 32 -6.956 -84.354 -10.160 1.00 7.18 N ATOM 114 CA SER E 32 -8.145 -84.740 -10.902 1.00 7.55 C ATOM 115 C SER E 32 -7.667 -85.658 -12.024 1.00 6.75 C ATOM 116 O SER E 32 -6.703 -85.338 -12.716 1.00 7.83 O ATOM 117 CB SER E 32 -8.832 -83.511 -11.510 1.00 6.55 C ATOM 118 OG SER E 32 -9.754 -83.889 -12.520 1.00 7.18 O ATOM 119 N LEU E 33 -8.320 -86.805 -12.185 1.00 6.92 N ATOM 120 CA LEU E 33 -7.975 -87.739 -13.258 1.00 7.15 C ATOM 121 C LEU E 33 -8.972 -87.433 -14.364 1.00 6.35 C ATOM 122 O LEU E 33 -10.182 -87.432 -14.146 1.00 5.88 O ATOM 123 CB LEU E 33 -8.102 -89.192 -12.792 1.00 8.78 C ATOM 124 CG LEU E 33 -7.237 -89.589 -11.582 1.00 9.90 C ATOM 125 CD1 LEU E 33 -7.259 -91.102 -11.417 1.00 10.72 C ATOM 126 CD2 LEU E 33 -5.812 -89.094 -11.759 1.00 10.77 C ATOM 127 N ASN E 34 -8.445 -87.187 -15.557 1.00 8.01 N ATOM 128 CA ASN E 34 -9.247 -86.779 -16.705 1.00 7.74 C ATOM 129 C ASN E 34 -8.924 -87.564 -17.982 1.00 8.14 C ATOM 130 O ASN E 34 -7.767 -87.678 -18.369 1.00 8.23 O ATOM 131 CB ASN E 34 -8.973 -85.279 -16.918 1.00 9.08 C ATOM 132 CG ASN E 34 -9.896 -84.630 -17.929 1.00 7.23 C ATOM 133 OD1 ASN E 34 -9.910 -85.024 -19.090 1.00 11.27 O ATOM 134 ND2 ASN E 34 -10.680 -83.656 -17.493 1.00 4.97 N ATOM 135 N SER E 37 -9.946 -88.091 -18.641 1.00 8.51 N ATOM 136 CA SER E 37 -9.731 -88.828 -19.881 1.00 11.32 C ATOM 137 C SER E 37 -10.657 -88.256 -20.959 1.00 10.57 C ATOM 138 O SER E 37 -10.990 -88.921 -21.946 1.00 9.42 O ATOM 139 CB SER E 37 -10.005 -90.320 -19.666 1.00 12.08 C ATOM 140 OG SER E 37 -9.400 -91.099 -20.685 1.00 19.41 O ATOM 141 N GLY E 38 -11.039 -86.999 -20.752 1.00 9.86 N ATOM 142 CA GLY E 38 -11.932 -86.290 -21.653 1.00 10.28 C ATOM 143 C GLY E 38 -12.761 -85.384 -20.762 1.00 10.10 C ATOM 144 O GLY E 38 -13.166 -84.287 -21.138 1.00 10.11 O ATOM 145 N TYR E 39 -13.003 -85.881 -19.552 1.00 8.82 N ATOM 146 CA TYR E 39 -13.744 -85.178 -18.515 1.00 8.04 C ATOM 147 C TYR E 39 -13.275 -85.744 -17.166 1.00 6.91 C ATOM 148 O TYR E 39 -12.602 -86.774 -17.124 1.00 6.64 O ATOM 149 CB TYR E 39 -15.257 -85.383 -18.698 1.00 7.55 C ATOM 150 CG TYR E 39 -15.712 -86.827 -18.778 1.00 10.61 C ATOM 151 CD1 TYR E 39 -15.944 -87.569 -17.620 1.00 10.98 C ATOM 152 CD2 TYR E 39 -15.905 -87.456 -20.013 1.00 10.50 C ATOM 153 CE1 TYR E 39 -16.352 -88.895 -17.680 1.00 10.82 C ATOM 154 CE2 TYR E 39 -16.314 -88.785 -20.087 1.00 12.63 C ATOM 155 CZ TYR E 39 -16.535 -89.499 -18.911 1.00 13.14 C ATOM 156 OH TYR E 39 -16.929 -90.816 -18.958 1.00 12.19 O ATOM 157 N HIS E 40 -13.609 -85.068 -16.071 1.00 6.31 N ATOM 158 CA HIS E 40 -13.214 -85.529 -14.748 1.00 6.16 C ATOM 159 C HIS E 40 -14.010 -86.779 -14.373 1.00 5.42 C ATOM 160 O HIS E 40 -15.233 -86.773 -14.418 1.00 6.95 O ATOM 161 CB HIS E 40 -13.465 -84.439 -13.700 1.00 5.89 C ATOM 162 CG HIS E 40 -13.356 -84.933 -12.291 1.00 7.79 C ATOM 163 ND1 HIS E 40 -12.161 -84.976 -11.604 1.00 7.49 N ATOM 164 CD2 HIS E 40 -14.284 -85.471 -11.458 1.00 7.86 C ATOM 165 CE1 HIS E 40 -12.355 -85.517 -10.418 1.00 7.50 C ATOM 166 NE2 HIS E 40 -13.631 -85.828 -10.301 1.00 8.14 N ATOM 167 N PHE E 41 -13.317 -87.850 -13.993 1.00 6.85 N ATOM 168 CA PHE E 41 -13.995 -89.088 -13.613 1.00 6.65 C ATOM 169 C PHE E 41 -13.560 -89.678 -12.267 1.00 5.66 C ATOM 170 O PHE E 41 -14.258 -90.523 -11.710 1.00 5.86 O ATOM 171 CB PHE E 41 -13.846 -90.142 -14.731 1.00 6.26 C ATOM 172 CG PHE E 41 -12.453 -90.691 -14.894 1.00 7.34 C ATOM 173 CD1 PHE E 41 -11.534 -90.065 -15.730 1.00 7.42 C ATOM 174 CD2 PHE E 41 -12.060 -91.847 -14.213 1.00 8.93 C ATOM 175 CE1 PHE E 41 -10.242 -90.583 -15.883 1.00 7.77 C ATOM 176 CE2 PHE E 41 -10.768 -92.372 -14.361 1.00 7.75 C ATOM 177 CZ PHE E 41 -9.859 -91.734 -15.201 1.00 9.12 C ATOM 178 N CYS E 42 -12.426 -89.219 -11.745 1.00 6.08 N ATOM 179 CA CYS E 42 -11.895 -89.709 -10.469 1.00 6.21 C ATOM 180 C CYS E 42 -10.886 -88.730 -9.872 1.00 7.01 C ATOM 181 O CYS E 42 -10.394 -87.830 -10.556 1.00 6.69 O ATOM 182 CB CYS E 42 -11.180 -91.055 -10.662 1.00 6.07 C ATOM 183 SG CYS E 42 -12.217 -92.547 -10.564 1.00 7.02 S ATOM 184 N GLY E 43 -10.574 -88.926 -8.593 1.00 7.91 N ATOM 185 CA GLY E 43 -9.601 -88.084 -7.922 1.00 6.31 C ATOM 186 C GLY E 43 -8.345 -88.897 -7.661 1.00 6.22 C ATOM 187 O GLY E 43 -8.247 -90.052 -8.087 1.00 5.98 O ATOM 188 N GLY E 44 -7.390 -88.302 -6.955 1.00 6.34 N ATOM 189 CA GLY E 44 -6.149 -88.982 -6.637 1.00 5.73 C ATOM 190 C GLY E 44 -5.311 -88.095 -5.739 1.00 5.92 C ATOM 191 O GLY E 44 -5.680 -86.945 -5.497 1.00 5.12 O ATOM 192 N SER E 45 -4.188 -88.616 -5.254 1.00 6.46 N ATOM 193 CA SER E 45 -3.301 -87.862 -4.366 1.00 8.84 C ATOM 194 C SER E 45 -1.844 -87.902 -4.830 1.00 8.40 C ATOM 195 O SER E 45 -1.342 -88.954 -5.227 1.00 8.46 O ATOM 196 CB SER E 45 -3.370 -88.420 -2.935 1.00 8.51 C ATOM 197 OG SER E 45 -4.672 -88.311 -2.390 1.00 13.21 O ATOM 198 N LEU E 46 -1.168 -86.758 -4.766 1.00 8.44 N ATOM 199 CA LEU E 46 0.237 -86.682 -5.158 1.00 8.25 C ATOM 200 C LEU E 46 1.104 -87.081 -3.959 1.00 8.48 C ATOM 201 O LEU E 46 1.123 -86.377 -2.952 1.00 8.07 O ATOM 202 CB LEU E 46 0.590 -85.255 -5.592 1.00 8.40 C ATOM 203 CG LEU E 46 1.984 -85.094 -6.200 1.00 7.73 C ATOM 204 CD1 LEU E 46 1.999 -85.745 -7.567 1.00 6.76 C ATOM 205 CD2 LEU E 46 2.361 -83.625 -6.294 1.00 9.86 C ATOM 206 N ILE E 47 1.815 -88.204 -4.058 1.00 8.58 N ATOM 207 CA ILE E 47 2.659 -88.633 -2.943 1.00 10.95 C ATOM 208 C ILE E 47 4.144 -88.312 -3.119 1.00 12.65 C ATOM 209 O ILE E 47 4.925 -88.399 -2.176 1.00 14.28 O ATOM 210 CB ILE E 47 2.468 -90.129 -2.616 1.00 10.92 C ATOM 211 CG1 ILE E 47 2.720 -90.995 -3.844 1.00 10.86 C ATOM 212 CG2 ILE E 47 1.062 -90.354 -2.076 1.00 11.42 C ATOM 213 CD1 ILE E 47 2.795 -92.474 -3.516 1.00 14.35 C ATOM 214 N ASN E 48 4.533 -87.963 -4.337 1.00 12.59 N ATOM 215 CA ASN E 48 5.892 -87.523 -4.621 1.00 15.93 C ATOM 216 C ASN E 48 5.859 -86.828 -5.970 1.00 16.19 C ATOM 217 O ASN E 48 4.842 -86.878 -6.666 1.00 16.93 O ATOM 218 CB ASN E 48 6.932 -88.662 -4.513 1.00 18.49 C ATOM 219 CG ASN E 48 6.964 -89.586 -5.706 1.00 20.87 C ATOM 220 OD1 ASN E 48 6.791 -89.177 -6.850 1.00 22.17 O ATOM 221 ND2 ASN E 48 7.220 -90.863 -5.432 1.00 26.48 N ATOM 222 N ASP E 49 6.940 -86.162 -6.352 1.00 16.59 N ATOM 223 CA ASP E 49 6.886 -85.411 -7.592 1.00 16.61 C ATOM 224 C ASP E 49 6.596 -86.132 -8.909 1.00 16.08 C ATOM 225 O ASP E 49 6.358 -85.473 -9.918 1.00 16.48 O ATOM 226 CB ASP E 49 8.121 -84.499 -7.714 1.00 20.36 C ATOM 227 CG ASP E 49 9.381 -85.239 -8.100 1.00 20.60 C ATOM 228 OD1 ASP E 49 9.411 -86.484 -8.027 1.00 21.35 O ATOM 229 OD2 ASP E 49 10.350 -84.548 -8.482 1.00 27.04 O ATOM 230 N GLN E 50 6.575 -87.462 -8.915 1.00 13.48 N ATOM 231 CA GLN E 50 6.269 -88.178 -10.153 1.00 13.90 C ATOM 232 C GLN E 50 5.288 -89.334 -9.976 1.00 11.79 C ATOM 233 O GLN E 50 5.087 -90.125 -10.895 1.00 12.04 O ATOM 234 CB GLN E 50 7.548 -88.698 -10.814 1.00 16.16 C ATOM 235 CG GLN E 50 7.403 -88.816 -12.320 1.00 20.88 C ATOM 236 CD GLN E 50 8.719 -89.020 -13.044 1.00 24.51 C ATOM 237 OE1 GLN E 50 9.764 -89.178 -12.407 1.00 25.38 O ATOM 238 NE2 GLN E 50 8.680 -89.014 -14.377 1.00 22.55 N ATOM 239 N TRP E 51 4.659 -89.417 -8.806 1.00 10.97 N ATOM 240 CA TRP E 51 3.717 -90.502 -8.526 1.00 10.43 C ATOM 241 C TRP E 51 2.416 -90.053 -7.845 1.00 10.41 C ATOM 242 O TRP E 51 2.422 -89.235 -6.924 1.00 9.87 O ATOM 243 CB TRP E 51 4.389 -91.566 -7.653 1.00 9.12 C ATOM 244 CG TRP E 51 5.418 -92.400 -8.360 1.00 10.13 C ATOM 245 CD1 TRP E 51 6.748 -92.125 -8.492 1.00 10.67 C ATOM 246 CD2 TRP E 51 5.210 -93.680 -8.976 1.00 10.48 C ATOM 247 NE1 TRP E 51 7.385 -93.153 -9.148 1.00 11.01 N ATOM 248 CE2 TRP E 51 6.464 -94.121 -9.456 1.00 9.60 C ATOM 249 CE3 TRP E 51 4.087 -94.495 -9.167 1.00 8.14 C ATOM 250 CZ2 TRP E 51 6.626 -95.346 -10.116 1.00 10.67 C ATOM 251 CZ3 TRP E 51 4.248 -95.714 -9.823 1.00 10.12 C ATOM 252 CH2 TRP E 51 5.512 -96.127 -10.286 1.00 9.81 C ATOM 253 N VAL E 52 1.308 -90.628 -8.300 1.00 9.75 N ATOM 254 CA VAL E 52 -0.015 -90.330 -7.775 1.00 8.67 C ATOM 255 C VAL E 52 -0.655 -91.639 -7.292 1.00 6.89 C ATOM 256 O VAL E 52 -0.435 -92.693 -7.881 1.00 8.01 O ATOM 257 CB VAL E 52 -0.891 -89.683 -8.894 1.00 8.48 C ATOM 258 CG1 VAL E 52 -2.374 -89.797 -8.555 1.00 10.80 C ATOM 259 CG2 VAL E 52 -0.492 -88.230 -9.084 1.00 9.61 C ATOM 260 N VAL E 53 -1.428 -91.577 -6.211 1.00 8.74 N ATOM 261 CA VAL E 53 -2.110 -92.761 -5.691 1.00 8.06 C ATOM 262 C VAL E 53 -3.613 -92.535 -5.902 1.00 6.96 C ATOM 263 O VAL E 53 -4.115 -91.440 -5.667 1.00 7.14 O ATOM 264 CB AVAL E 53 -1.846 -92.922 -4.163 0.50 9.10 C ATOM 265 CB BVAL E 53 -1.771 -93.043 -4.190 0.50 8.28 C ATOM 266 CG1AVAL E 53 -2.844 -93.867 -3.483 0.50 9.77 C ATOM 267 CG1BVAL E 53 -2.351 -91.968 -3.280 0.50 7.11 C ATOM 268 CG2AVAL E 53 -0.473 -93.506 -3.858 0.50 9.37 C ATOM 269 CG2BVAL E 53 -2.261 -94.446 -3.813 0.50 9.49 C ATOM 270 N SER E 54 -4.323 -93.565 -6.361 1.00 7.01 N ATOM 271 CA SER E 54 -5.763 -93.469 -6.615 1.00 6.19 C ATOM 272 C SER E 54 -6.409 -94.835 -6.386 1.00 6.06 C ATOM 273 O SER E 54 -5.778 -95.730 -5.832 1.00 6.39 O ATOM 274 CB SER E 54 -6.009 -93.003 -8.058 1.00 5.28 C ATOM 275 OG SER E 54 -7.386 -92.748 -8.305 1.00 7.72 O ATOM 276 N ALA E 55 -7.659 -94.996 -6.808 1.00 6.21 N ATOM 277 CA ALA E 55 -8.351 -96.270 -6.637 1.00 7.02 C ATOM 278 C ALA E 55 -8.208 -97.113 -7.902 1.00 7.42 C ATOM 279 O ALA E 55 -8.200 -96.582 -9.014 1.00 6.55 O ATOM 280 CB ALA E 55 -9.825 -96.042 -6.325 1.00 8.34 C ATOM 281 N ALA E 56 -8.097 -98.427 -7.720 1.00 8.72 N ATOM 282 CA ALA E 56 -7.945 -99.355 -8.842 1.00 6.66 C ATOM 283 C ALA E 56 -9.149 -99.363 -9.773 1.00 6.44 C ATOM 284 O ALA E 56 -8.999 -99.601 -10.963 1.00 7.23 O ATOM 285 CB ALA E 56 -7.676-100.764 -8.331 1.00 7.03 C ATOM 286 N HIS E 57 -10.343 -99.099 -9.250 1.00 7.07 N ATOM 287 CA HIS E 57 -11.513 -99.090 -10.124 1.00 7.32 C ATOM 288 C HIS E 57 -11.556 -97.835 -10.998 1.00 7.91 C ATOM 289 O HIS E 57 -12.440 -97.690 -11.837 1.00 10.09 O ATOM 290 CB HIS E 57 -12.825 -99.277 -9.327 1.00 7.16 C ATOM 291 CG HIS E 57 -13.280 -98.065 -8.568 1.00 7.53 C ATOM 292 ND1 HIS E 57 -13.045 -97.908 -7.219 1.00 7.23 N ATOM 293 CD2 HIS E 57 -14.010 -96.995 -8.953 1.00 7.66 C ATOM 294 CE1 HIS E 57 -13.614 -96.789 -6.805 1.00 8.18 C ATOM 295 NE2 HIS E 57 -14.208 -96.214 -7.839 1.00 8.48 N ATOM 296 N CYS E 58 -10.583 -96.946 -10.812 1.00 7.44 N ATOM 297 CA CYS E 58 -10.501 -95.726 -11.609 1.00 7.87 C ATOM 298 C CYS E 58 -9.593 -95.967 -12.816 1.00 8.65 C ATOM 299 O CYS E 58 -9.289 -95.043 -13.567 1.00 10.33 O ATOM 300 CB CYS E 58 -9.939 -94.566 -10.782 1.00 7.14 C ATOM 301 SG CYS E 58 -11.086 -93.892 -9.548 1.00 8.74 S ATOM 302 N TYR E 59 -9.163 -97.211 -13.003 1.00 8.64 N ATOM 303 CA TYR E 59 -8.287 -97.542 -14.115 1.00 9.07 C ATOM 304 C TYR E 59 -8.881 -97.227 -15.482 1.00 7.85 C ATOM 305 O TYR E 59 -10.040 -97.508 -15.751 1.00 8.89 O ATOM 306 CB TYR E 59 -7.911 -99.027 -14.094 1.00 9.72 C ATOM 307 CG TYR E 59 -7.201 -99.463 -15.370 1.00 11.83 C ATOM 308 CD1 TYR E 59 -5.835 -99.254 -15.527 1.00 13.37 C ATOM 309 CD2 TYR E 59 -7.911-100.024 -16.435 1.00 12.56 C ATOM 310 CE1 TYR E 59 -5.185 -99.584 -16.718 1.00 15.20 C ATOM 311 CE2 TYR E 59 -7.269-100.358 -17.633 1.00 14.77 C ATOM 312 CZ TYR E 59 -5.907-100.130 -17.762 1.00 16.29 C ATOM 313 OH TYR E 59 -5.265-100.435 -18.947 1.00 19.66 O ATOM 314 N LYS E 60 -8.052 -96.654 -16.341 1.00 10.49 N ATOM 315 CA LYS E 60 -8.413 -96.332 -17.716 1.00 11.55 C ATOM 316 C LYS E 60 -7.078 -96.472 -18.436 1.00 11.94 C ATOM 317 O LYS E 60 -6.030 -96.234 -17.837 1.00 11.92 O ATOM 318 CB LYS E 60 -8.929 -94.898 -17.833 1.00 13.21 C ATOM 319 CG LYS E 60 -10.440 -94.759 -17.748 1.00 15.80 C ATOM 320 CD LYS E 60 -10.871 -93.404 -18.266 1.00 18.91 C ATOM 321 CE LYS E 60 -12.376 -93.311 -18.374 1.00 22.33 C ATOM 322 NZ LYS E 60 -13.037 -93.750 -17.121 1.00 26.21 N ATOM 323 N SER E 61 -7.100 -96.867 -19.704 1.00 12.75 N ATOM 324 CA SER E 61 -5.849 -97.041 -20.436 1.00 15.93 C ATOM 325 C SER E 61 -5.099 -95.725 -20.643 1.00 15.05 C ATOM 326 O SER E 61 -3.868 -95.696 -20.650 1.00 17.46 O ATOM 327 CB SER E 61 -6.110 -97.713 -21.790 1.00 16.61 C ATOM 328 OG SER E 61 -7.151 -97.061 -22.504 1.00 23.04 O ATOM 329 N ARG E 62 -5.842 -94.638 -20.810 1.00 15.92 N ATOM 330 CA ARG E 62 -5.231 -93.329 -21.007 1.00 16.36 C ATOM 331 C ARG E 62 -5.749 -92.367 -19.955 1.00 12.79 C ATOM 332 O ARG E 62 -6.962 -92.166 -19.831 1.00 12.91 O ATOM 333 CB ARG E 62 -5.551 -92.792 -22.405 1.00 18.10 C ATOM 334 CG ARG E 62 -4.666 -93.393 -23.474 1.00 26.01 C ATOM 335 CD ARG E 62 -4.822 -92.671 -24.797 1.00 31.83 C ATOM 336 NE ARG E 62 -5.130 -93.602 -25.877 1.00 39.13 N ATOM 337 CZ ARG E 62 -6.191 -94.405 -25.888 1.00 41.77 C ATOM 338 NH1 ARG E 62 -7.053 -94.384 -24.878 1.00 44.92 N ATOM 339 NH2 ARG E 62 -6.395 -95.226 -26.910 1.00 44.75 N ATOM 340 N ILE E 63 -4.830 -91.774 -19.200 1.00 10.87 N ATOM 341 CA ILE E 63 -5.215 -90.842 -18.149 1.00 8.88 C ATOM 342 C ILE E 63 -4.346 -89.595 -18.119 1.00 8.93 C ATOM 343 O ILE E 63 -3.125 -89.677 -18.203 1.00 8.51 O ATOM 344 CB ILE E 63 -5.109 -91.491 -16.742 1.00 8.48 C ATOM 345 CG1 ILE E 63 -6.054 -92.686 -16.624 1.00 7.62 C ATOM 346 CG2 ILE E 63 -5.429 -90.454 -15.669 1.00 9.02 C ATOM 347 CD1 ILE E 63 -5.973 -93.394 -15.278 1.00 8.50 C ATOM 348 N GLN E 64 -4.991 -88.438 -18.003 1.00 8.32 N ATOM 349 CA GLN E 64 -4.275 -87.183 -17.880 1.00 8.52 C ATOM 350 C GLN E 64 -4.520 -86.725 -16.444 1.00 8.87 C ATOM 351 O GLN E 64 -5.666 -86.675 -15.992 1.00 9.08 O ATOM 352 CB GLN E 64 -4.809 -86.120 -18.842 1.00 7.70 C ATOM 353 CG GLN E 64 -4.156 -84.763 -18.592 1.00 9.58 C ATOM 354 CD GLN E 64 -4.567 -83.713 -19.591 1.00 9.61 C ATOM 355 OE1 GLN E 64 -5.688 -83.219 -19.552 1.00 14.04 O ATOM 356 NE2 GLN E 64 -3.663 -83.365 -20.490 1.00 9.61 N ATOM 357 N VAL E 66 -3.443 -86.400 -15.739 1.00 8.78 N ATOM 358 CA VAL E 66 -3.517 -85.941 -14.354 1.00 7.90 C ATOM 359 C VAL E 66 -3.492 -84.413 -14.309 1.00 7.90 C ATOM 360 O VAL E 66 -2.619 -83.782 -14.910 1.00 8.50 O ATOM 361 CB VAL E 66 -2.325 -86.487 -13.528 1.00 8.72 C ATOM 362 CG1 VAL E 66 -2.426 -86.016 -12.079 1.00 8.58 C ATOM 363 CG2 VAL E 66 -2.291 -88.001 -13.599 1.00 7.68 C ATOM 364 N ARG E 67 -4.449 -83.815 -13.610 1.00 5.56 N ATOM 365 CA ARG E 67 -4.491 -82.361 -13.519 1.00 7.19 C ATOM 366 C ARG E 67 -4.242 -81.914 -12.087 1.00 7.98 C ATOM 367 O ARG E 67 -5.002 -82.251 -11.174 1.00 9.31 O ATOM 368 CB ARG E 67 -5.834 -81.835 -14.038 1.00 7.90 C ATOM 369 CG ARG E 67 -6.060 -82.188 -15.511 1.00 8.54 C ATOM 370 CD ARG E 67 -7.294 -81.544 -16.099 1.00 8.58 C ATOM 371 NE ARG E 67 -7.416 -81.886 -17.515 1.00 10.52 N ATOM 372 CZ ARG E 67 -8.301 -81.354 -18.356 1.00 9.86 C ATOM 373 NH1 ARG E 67 -9.159 -80.436 -17.936 1.00 7.55 N ATOM 374 NH2 ARG E 67 -8.316 -81.742 -19.628 1.00 10.77 N ATOM 375 N LEU E 68 -3.162 -81.161 -11.903 1.00 7.61 N ATOM 376 CA LEU E 68 -2.764 -80.678 -10.587 1.00 8.54 C ATOM 377 C LEU E 68 -2.955 -79.163 -10.424 1.00 10.00 C ATOM 378 O LEU E 68 -3.056 -78.433 -11.412 1.00 11.02 O ATOM 379 CB LEU E 68 -1.302 -81.056 -10.337 1.00 9.52 C ATOM 380 CG LEU E 68 -0.892 -82.507 -10.638 1.00 10.07 C ATOM 381 CD1 LEU E 68 -0.355 -82.625 -12.071 1.00 11.42 C ATOM 382 CD2 LEU E 68 0.161 -82.954 -9.633 1.00 11.56 C ATOM 383 N GLY E 69 -3.020 -78.706 -9.172 1.00 8.56 N ATOM 384 CA GLY E 69 -3.193 -77.287 -8.890 1.00 9.16 C ATOM 385 C GLY E 69 -4.564 -76.732 -9.240 1.00 9.40 C ATOM 386 O GLY E 69 -4.734 -75.530 -9.419 1.00 10.17 O ATOM 387 N GLU E 70 -5.547 -77.623 -9.311 1.00 9.28 N ATOM 388 CA GLU E 70 -6.927 -77.280 -9.666 1.00 9.25 C ATOM 389 C GLU E 70 -7.846 -76.852 -8.520 1.00 11.19 C ATOM 390 O GLU E 70 -7.688 -77.293 -7.383 1.00 10.60 O ATOM 391 CB GLU E 70 -7.599 -78.492 -10.334 1.00 8.76 C ATOM 392 CG GLU E 70 -7.115 -78.826 -11.722 1.00 6.85 C ATOM 393 CD GLU E 70 -7.809 -77.986 -12.765 1.00 10.07 C ATOM 394 OE1 GLU E 70 -8.309 -76.898 -12.406 1.00 9.40 O ATOM 395 OE2 GLU E 70 -7.858 -78.413 -13.935 1.00 10.37 O ATOM 396 N HIS E 71 -8.808 -75.986 -8.837 1.00 10.32 N ATOM 397 CA HIS E 71 -9.832 -75.599 -7.874 1.00 9.97 C ATOM 398 C HIS E 71 -11.139 -75.701 -8.649 1.00 9.06 C ATOM 399 O HIS E 71 -11.997 -76.514 -8.327 1.00 8.43 O ATOM 400 CB HIS E 71 -9.659 -74.183 -7.310 1.00 9.82 C ATOM 401 CG HIS E 71 -10.663 -73.861 -6.248 1.00 12.52 C ATOM 402 ND1 HIS E 71 -10.844 -74.662 -5.142 1.00 14.63 N ATOM 403 CD2 HIS E 71 -11.614 -72.897 -6.169 1.00 14.26 C ATOM 404 CE1 HIS E 71 -11.863 -74.213 -4.432 1.00 17.46 C ATOM 405 NE2 HIS E 71 -12.348 -73.141 -5.036 1.00 14.83 N ATOM 406 N ASN E 72 -11.282 -74.880 -9.683 1.00 8.89 N ATOM 407 CA ASN E 72 -12.472 -74.919 -10.531 1.00 8.94 C ATOM 408 C ASN E 72 -12.013 -75.696 -11.768 1.00 9.09 C ATOM 409 O ASN E 72 -11.262 -75.173 -12.589 1.00 9.66 O ATOM 410 CB ASN E 72 -12.884 -73.497 -10.925 1.00 8.98 C ATOM 411 CG ASN E 72 -14.125 -73.460 -11.807 1.00 9.79 C ATOM 412 OD1 ASN E 72 -14.507 -74.477 -12.393 1.00 14.39 O ATOM 413 ND2 ASN E 72 -14.761 -72.301 -11.905 1.00 7.69 N ATOM 414 N ILE E 73 -12.437 -76.948 -11.899 1.00 9.66 N ATOM 415 CA ILE E 73 -11.991 -77.740 -13.038 1.00 9.14 C ATOM 416 C ILE E 73 -12.602 -77.360 -14.392 1.00 8.78 C ATOM 417 O ILE E 73 -12.209 -77.911 -15.420 1.00 9.34 O ATOM 418 CB ILE E 73 -12.173 -79.266 -12.770 1.00 8.74 C ATOM 419 CG1 ILE E 73 -13.617 -79.592 -12.404 1.00 7.40 C ATOM 420 CG2 ILE E 73 -11.238 -79.705 -11.644 1.00 9.54 C ATOM 421 CD1 ILE E 73 -13.884 -81.094 -12.288 1.00 8.63 C ATOM 422 N ASN E 74 -13.524 -76.397 -14.400 1.00 9.50 N ATOM 423 CA ASN E 74 -14.164 -75.956 -15.644 1.00 10.75 C ATOM 424 C ASN E 74 -13.581 -74.647 -16.197 1.00 10.56 C ATOM 425 O ASN E 74 -14.022 -74.154 -17.237 1.00 11.51 O ATOM 426 CB ASN E 74 -15.673 -75.777 -15.431 1.00 10.45 C ATOM 427 CG ASN E 74 -16.425 -77.094 -15.427 1.00 14.13 C ATOM 428 OD1 ASN E 74 -15.871 -78.144 -15.751 1.00 15.53 O ATOM 429 ND2 ASN E 74 -17.695 -77.043 -15.058 1.00 16.49 N ATOM 430 N VAL E 75 -12.592 -74.089 -15.507 1.00 10.67 N ATOM 431 CA VAL E 75 -11.977 -72.839 -15.933 1.00 11.52 C ATOM 432 C VAL E 75 -10.456 -72.905 -15.815 1.00 11.73 C ATOM 433 O VAL E 75 -9.934 -73.448 -14.843 1.00 11.08 O ATOM 434 CB VAL E 75 -12.499 -71.661 -15.068 1.00 12.81 C ATOM 435 CG1 VAL E 75 -11.779 -70.370 -15.439 1.00 16.88 C ATOM 436 CG2 VAL E 75 -14.002 -71.515 -15.247 1.00 14.42 C ATOM 437 N LEU E 76 -9.749 -72.367 -16.807 1.00 8.89 N ATOM 438 CA LEU E 76 -8.289 -72.344 -16.775 1.00 11.39 C ATOM 439 C LEU E 76 -7.928 -71.181 -15.854 1.00 13.87 C ATOM 440 O LEU E 76 -8.090 -70.019 -16.220 1.00 13.70 O ATOM 441 CB LEU E 76 -7.730 -72.107 -18.180 1.00 10.75 C ATOM 442 CG LEU E 76 -6.211 -72.084 -18.372 1.00 14.04 C ATOM 443 CD1 LEU E 76 -5.593 -73.412 -17.946 1.00 15.61 C ATOM 444 CD2 LEU E 76 -5.906 -71.799 -19.835 1.00 15.37 C ATOM 445 N GLU E 77 -7.440 -71.502 -14.660 1.00 15.36 N ATOM 446 CA GLU E 77 -7.107 -70.498 -13.646 1.00 17.20 C ATOM 447 C GLU E 77 -5.680 -69.975 -13.604 1.00 20.14 C ATOM 448 O GLU E 77 -5.433 -68.914 -13.026 1.00 22.93 O ATOM 449 CB GLU E 77 -7.452 -71.034 -12.251 1.00 17.07 C ATOM 450 CG GLU E 77 -8.898 -71.438 -12.061 1.00 14.60 C ATOM 451 CD GLU E 77 -9.059 -72.548 -11.039 1.00 16.17 C ATOM 452 OE1 GLU E 77 -8.543 -73.658 -11.275 1.00 15.07 O ATOM 453 OE2 GLU E 77 -9.704 -72.311 -10.001 1.00 18.02 O ATOM 454 N GLY E 78 -4.739 -70.719 -14.171 1.00 20.29 N ATOM 455 CA GLY E 78 -3.360 -70.272 -14.152 1.00 23.88 C ATOM 456 C GLY E 78 -2.397 -71.061 -13.268 1.00 24.45 C ATOM 457 O GLY E 78 -1.184 -70.976 -13.472 1.00 26.86 O ATOM 458 N ASN E 79 -2.902 -71.827 -12.302 1.00 22.61 N ATOM 459 CA ASN E 79 -2.015 -72.597 -11.421 1.00 22.57 C ATOM 460 C ASN E 79 -1.931 -74.082 -11.766 1.00 18.96 C ATOM 461 O ASN E 79 -1.162 -74.825 -11.161 1.00 19.81 O ATOM 462 CB ASN E 79 -2.471 -72.473 -9.967 1.00 25.91 C ATOM 463 CG ASN E 79 -2.670 -71.036 -9.538 1.00 28.87 C ATOM 464 OD1 ASN E 79 -3.746 -70.662 -9.067 1.00 31.80 O ATOM 465 ND2 ASN E 79 -1.629 -70.222 -9.690 1.00 28.44 N ATOM 466 N GLU E 80 -2.716 -74.506 -12.745 1.00 15.61 N ATOM 467 CA GLU E 80 -2.768 -75.906 -13.142 1.00 12.55 C ATOM 468 C GLU E 80 -1.570 -76.474 -13.890 1.00 12.50 C ATOM 469 O GLU E 80 -0.877 -75.771 -14.624 1.00 12.40 O ATOM 470 CB GLU E 80 -4.019 -76.141 -13.996 1.00 11.46 C ATOM 471 CG GLU E 80 -5.301 -75.622 -13.383 1.00 11.29 C ATOM 472 CD GLU E 80 -5.748 -74.303 -13.985 1.00 8.51 C ATOM 473 OE1 GLU E 80 -4.893 -73.557 -14.503 1.00 10.78 O ATOM 474 OE2 GLU E 80 -6.956 -74.010 -13.938 1.00 9.40 O ATOM 475 N GLN E 81 -1.338 -77.766 -13.688 1.00 10.23 N ATOM 476 CA GLN E 81 -0.289 -78.482 -14.398 1.00 10.97 C ATOM 477 C GLN E 81 -1.023 -79.700 -14.952 1.00 12.09 C ATOM 478 O GLN E 81 -1.754 -80.378 -14.225 1.00 11.82 O ATOM 479 CB GLN E 81 0.840 -78.900 -13.451 1.00 12.75 C ATOM 480 CG GLN E 81 1.730 -77.735 -13.017 1.00 13.06 C ATOM 481 CD GLN E 81 2.865 -78.149 -12.098 1.00 12.96 C ATOM 482 OE1 GLN E 81 3.667 -79.015 -12.434 1.00 15.63 O ATOM 483 NE2 GLN E 81 2.939 -77.520 -10.932 1.00 13.88 N ATOM 484 N PHE E 82 -0.859 -79.926 -16.262 1.00 11.63 N ATOM 485 CA PHE E 82 -1.485 -81.053 -16.945 1.00 12.68 C ATOM 486 C PHE E 82 -0.393 -82.019 -17.325 1.00 13.07 C ATOM 487 O PHE E 82 0.509 -81.687 -18.087 1.00 12.99 O ATOM 488 CB APHE E 82 -2.213 -80.550 -18.202 0.50 15.07 C ATOM 489 CB BPHE E 82 -2.183 -80.570 -18.220 0.50 11.36 C ATOM 490 CG APHE E 82 -3.378 -79.655 -17.909 0.50 17.68 C ATOM 491 CG BPHE E 82 -3.300 -79.551 -18.058 0.50 10.97 C ATOM 492 CD1APHE E 82 -4.084 -79.720 -16.704 0.50 17.74 C ATOM 493 CD1BPHE E 82 -3.024 -78.292 -17.514 0.50 11.80 C ATOM 494 CD2APHE E 82 -3.753 -78.789 -18.858 0.50 21.34 C ATOM 495 CD2BPHE E 82 -4.592 -79.884 -18.462 0.50 9.03 C ATOM 496 CE1APHE E 82 -5.154 -78.890 -16.469 0.50 18.93 C ATOM 497 CE1BPHE E 82 -4.057 -77.361 -17.362 0.50 11.86 C ATOM 498 CE2APHE E 82 -4.879 -77.915 -18.617 0.50 22.56 C ATOM 499 CE2BPHE E 82 -5.627 -78.956 -18.307 0.50 9.35 C ATOM 500 CZ APHE E 82 -5.555 -77.976 -17.448 0.50 20.57 C ATOM 501 CZ BPHE E 82 -5.360 -77.695 -17.756 0.50 12.38 C ATOM 502 N VAL E 83 -0.442 -83.230 -16.769 1.00 12.31 N ATOM 503 CA VAL E 83 0.578 -84.228 -17.036 1.00 12.44 C ATOM 504 C VAL E 83 -0.029 -85.581 -17.362 1.00 12.06 C ATOM 505 O VAL E 83 -0.976 -86.018 -16.710 1.00 13.55 O ATOM 506 CB VAL E 83 1.529 -84.374 -15.820 1.00 12.83 C ATOM 507 CG1 VAL E 83 2.787 -85.124 -16.230 1.00 15.08 C ATOM 508 CG2 VAL E 83 1.884 -83.004 -15.274 1.00 15.33 C ATOM 509 N ASN E 84 0.519 -86.245 -18.373 1.00 13.28 N ATOM 510 CA ASN E 84 0.018 -87.555 -18.779 1.00 14.94 C ATOM 511 C ASN E 84 0.590 -88.689 -17.918 1.00 13.79 C ATOM 512 O ASN E 84 1.721 -88.613 -17.443 1.00 13.07 O ATOM 513 CB ASN E 84 0.349 -87.796 -20.256 1.00 18.77 C ATOM 514 CG ASN E 84 -0.452 -86.893 -21.188 1.00 22.98 C ATOM 515 OD1 ASN E 84 -1.586 -86.521 -20.882 1.00 24.69 O ATOM 516 ND2 ASN E 84 0.138 -86.532 -22.325 1.00 25.34 N ATOM 517 N ALA E 85 -0.214 -89.726 -17.701 1.00 12.50 N ATOM 518 CA ALA E 85 0.209 -90.875 -16.914 1.00 13.83 C ATOM 519 C ALA E 85 1.094 -91.735 -17.810 1.00 15.30 C ATOM 520 O ALA E 85 0.704 -92.073 -18.927 1.00 17.00 O ATOM 521 CB ALA E 85 -1.009 -91.673 -16.458 1.00 12.79 C ATOM 522 N ALA E 86 2.279 -92.085 -17.323 1.00 15.04 N ATOM 523 CA ALA E 86 3.213 -92.904 -18.089 1.00 16.04 C ATOM 524 C ALA E 86 3.030 -94.384 -17.775 1.00 17.25 C ATOM 525 O ALA E 86 3.087 -95.228 -18.669 1.00 18.23 O ATOM 526 CB ALA E 86 4.645 -92.480 -17.789 1.00 14.92 C ATOM 527 N LYS E 87 2.817 -94.690 -16.500 1.00 16.16 N ATOM 528 CA LYS E 87 2.614 -96.066 -16.044 1.00 16.64 C ATOM 529 C LYS E 87 1.432 -96.102 -15.076 1.00 15.52 C ATOM 530 O LYS E 87 1.318 -95.244 -14.198 1.00 15.07 O ATOM 531 CB LYS E 87 3.834 -96.589 -15.272 1.00 18.96 C ATOM 532 CG LYS E 87 5.143 -96.699 -16.028 1.00 22.81 C ATOM 533 CD LYS E 87 6.154 -97.490 -15.183 1.00 27.05 C ATOM 534 CE LYS E 87 7.600 -97.185 -15.572 1.00 29.81 C ATOM 535 NZ LYS E 87 8.539 -98.290 -15.208 1.00 30.39 N ATOM 536 N ILE E 88 0.562 -97.092 -15.226 1.00 15.40 N ATOM 537 CA ILE E 88 -0.570 -97.243 -14.318 1.00 14.23 C ATOM 538 C ILE E 88 -0.433 -98.644 -13.749 1.00 13.18 C ATOM 539 O ILE E 88 -0.438 -99.627 -14.490 1.00 15.39 O ATOM 540 CB ILE E 88 -1.913 -97.078 -15.051 1.00 15.81 C ATOM 541 CG1 ILE E 88 -1.982 -95.674 -15.654 1.00 15.55 C ATOM 542 CG2 ILE E 88 -3.077 -97.283 -14.081 1.00 16.09 C ATOM 543 CD1 ILE E 88 -2.745 -95.591 -16.952 1.00 20.21 C ATOM 544 N ILE E 89 -0.275 -98.733 -12.434 1.00 12.00 N ATOM 545 CA ILE E 89 -0.092-100.019 -11.773 1.00 10.71 C ATOM 546 C ILE E 89 -1.160-100.275 -10.710 1.00 11.23 C ATOM 547 O ILE E 89 -1.169 -99.625 -9.667 1.00 10.68 O ATOM 548 CB ILE E 89 1.305-100.078 -11.109 1.00 10.84 C ATOM 549 CG1 ILE E 89 2.387 -99.736 -12.137 1.00 12.68 C ATOM 550 CG2 ILE E 89 1.558-101.451 -10.527 1.00 12.52 C ATOM 551 CD1 ILE E 89 3.690 -99.252 -11.528 1.00 14.93 C ATOM 552 N LYS E 90 -2.060-101.217 -10.975 1.00 11.43 N ATOM 553 CA LYS E 90 -3.117-101.551 -10.017 1.00 10.85 C ATOM 554 C LYS E 90 -2.567-102.567 -9.029 1.00 13.09 C ATOM 555 O LYS E 90 -1.625-103.291 -9.349 1.00 14.22 O ATOM 556 CB LYS E 90 -4.329-102.166 -10.730 1.00 11.55 C ATOM 557 CG LYS E 90 -5.136-101.201 -11.590 1.00 12.19 C ATOM 558 CD LYS E 90 -6.524-101.772 -11.907 1.00 15.88 C ATOM 559 CE LYS E 90 -6.474-102.781 -13.044 1.00 13.85 C ATOM 560 NZ LYS E 90 -7.815-103.386 -13.319 1.00 13.91 N ATOM 561 N HIS E 91 -3.134-102.629 -7.827 1.00 12.05 N ATOM 562 CA HIS E 91 -2.649-103.608 -6.868 1.00 10.22 C ATOM 563 C HIS E 91 -2.877-104.980 -7.496 1.00 11.22 C ATOM 564 O HIS E 91 -3.939-105.241 -8.062 1.00 11.33 O ATOM 565 CB HIS E 91 -3.398-103.517 -5.548 1.00 9.93 C ATOM 566 CG HIS E 91 -2.764-104.323 -4.457 1.00 10.65 C ATOM 567 ND1 HIS E 91 -2.971-105.681 -4.323 1.00 11.87 N ATOM 568 CD2 HIS E 91 -1.879-103.980 -3.494 1.00 12.28 C ATOM 569 CE1 HIS E 91 -2.238-106.137 -3.323 1.00 12.06 C ATOM 570 NE2 HIS E 91 -1.566-105.129 -2.803 1.00 13.61 N ATOM 571 N PRO E 92 -1.891-105.882 -7.394 1.00 12.63 N ATOM 572 CA PRO E 92 -2.046-107.216 -7.987 1.00 13.06 C ATOM 573 C PRO E 92 -3.212-108.075 -7.488 1.00 13.14 C ATOM 574 O PRO E 92 -3.677-108.964 -8.206 1.00 15.94 O ATOM 575 CB PRO E 92 -0.692-107.882 -7.747 1.00 13.56 C ATOM 576 CG PRO E 92 -0.090-107.133 -6.606 1.00 15.55 C ATOM 577 CD PRO E 92 -0.592-105.722 -6.714 1.00 11.80 C ATOM 578 N ASN E 93 -3.695-107.816 -6.278 1.00 12.73 N ATOM 579 CA ASN E 93 -4.801-108.601 -5.741 1.00 12.67 C ATOM 580 C ASN E 93 -6.135-107.854 -5.715 1.00 10.22 C ATOM 581 O ASN E 93 -7.036-108.210 -4.953 1.00 10.01 O ATOM 582 CB ASN E 93 -4.453-109.088 -4.336 1.00 16.01 C ATOM 583 CG ASN E 93 -3.124-109.829 -4.290 1.00 18.91 C ATOM 584 OD1 ASN E 93 -2.711-110.456 -5.268 1.00 25.29 O ATOM 585 ND2 ASN E 93 -2.449-109.760 -3.150 1.00 19.42 N ATOM 586 N PHE E 94 -6.260-106.826 -6.553 1.00 10.55 N ATOM 587 CA PHE E 94 -7.492-106.044 -6.632 1.00 9.62 C ATOM 588 C PHE E 94 -8.636-106.947 -7.098 1.00 9.65 C ATOM 589 O PHE E 94 -8.476-107.706 -8.056 1.00 10.31 O ATOM 590 CB PHE E 94 -7.325-104.881 -7.623 1.00 8.17 C ATOM 591 CG PHE E 94 -8.621-104.164 -7.952 1.00 9.72 C ATOM 592 CD1 PHE E 94 -9.450-103.692 -6.933 1.00 9.18 C ATOM 593 CD2 PHE E 94 -9.020-103.972 -9.275 1.00 10.95 C ATOM 594 CE1 PHE E 94 -10.647-103.041 -7.226 1.00 9.12 C ATOM 595 CE2 PHE E 94 -10.218-103.320 -9.579 1.00 10.64 C ATOM 596 CZ PHE E 94 -11.031-102.859 -8.555 1.00 10.43 C ATOM 597 N ASP E 95 -9.773-106.880 -6.416 1.00 8.78 N ATOM 598 CA ASP E 95 -10.938-107.677 -6.791 1.00 9.31 C ATOM 599 C ASP E 95 -12.034-106.708 -7.237 1.00 10.43 C ATOM 600 O ASP E 95 -12.512-105.891 -6.446 1.00 8.83 O ATOM 601 CB ASP E 95 -11.425-108.518 -5.608 1.00 9.85 C ATOM 602 CG ASP E 95 -12.501-109.518 -6.008 1.00 12.01 C ATOM 603 OD1 ASP E 95 -13.510-109.098 -6.612 1.00 11.64 O ATOM 604 OD2 ASP E 95 -12.341-110.722 -5.722 1.00 17.33 O ATOM 605 N ARG E 96 -12.424-106.803 -8.507 1.00 10.95 N ATOM 606 CA ARG E 96 -13.439-105.919 -9.083 1.00 13.76 C ATOM 607 C ARG E 96 -14.843-106.102 -8.524 1.00 14.49 C ATOM 608 O ARG E 96 -15.703-105.243 -8.713 1.00 16.54 O ATOM 609 CB ARG E 96 -13.488-106.102 -10.604 1.00 15.40 C ATOM 610 CG ARG E 96 -12.178-105.822 -11.300 1.00 20.41 C ATOM 611 CD ARG E 96 -12.270-106.162 -12.782 1.00 22.34 C ATOM 612 NE ARG E 96 -10.988-105.986 -13.455 1.00 26.69 N ATOM 613 CZ ARG E 96 -10.779-105.140 -14.457 1.00 25.87 C ATOM 614 NH1 ARG E 96 -11.771-104.390 -14.917 1.00 28.23 N ATOM 615 NH2 ARG E 96 -9.578-105.052 -15.003 1.00 27.36 N ATOM 616 N LYS E 97 -15.084-107.218 -7.848 1.00 13.39 N ATOM 617 CA LYS E 97 -16.400-107.477 -7.293 1.00 15.47 C ATOM 618 C LYS E 97 -16.515-107.047 -5.833 1.00 15.36 C ATOM 619 O LYS E 97 -17.482-106.394 -5.448 1.00 14.96 O ATOM 620 CB LYS E 97 -16.734-108.962 -7.418 1.00 18.20 C ATOM 621 CG LYS E 97 -17.476-109.313 -8.685 1.00 27.03 C ATOM 622 CD LYS E 97 -17.557-110.819 -8.861 1.00 31.95 C ATOM 623 CE LYS E 97 -18.955-111.328 -8.568 1.00 34.73 C ATOM 624 NZ LYS E 97 -19.291-111.217 -7.123 1.00 37.77 N ATOM 625 N THR E 98 -15.522-107.413 -5.030 1.00 14.27 N ATOM 626 CA THR E 98 -15.517-107.089 -3.606 1.00 12.92 C ATOM 627 C THR E 98 -14.842-105.762 -3.289 1.00 13.12 C ATOM 628 O THR E 98 -15.025-105.210 -2.194 1.00 13.35 O ATOM 629 CB THR E 98 -14.787-108.173 -2.796 1.00 13.20 C ATOM 630 OG1 THR E 98 -13.382-108.113 -3.077 1.00 10.78 O ATOM 631 CG2 THR E 98 -15.321-109.550 -3.147 1.00 15.64 C ATOM 632 N LEU E 99 -14.053-105.270 -4.242 1.00 10.99 N ATOM 633 CA LEU E 99 -13.308-104.022 -4.099 1.00 11.25 C ATOM 634 C LEU E 99 -12.186-104.112 -3.057 1.00 10.61 C ATOM 635 O LEU E 99 -11.688-103.100 -2.577 1.00 9.38 O ATOM 636 CB LEU E 99 -14.267-102.867 -3.794 1.00 13.22 C ATOM 637 CG LEU E 99 -15.285-102.750 -4.933 1.00 15.71 C ATOM 638 CD1 LEU E 99 -16.419-101.842 -4.522 1.00 18.56 C ATOM 639 CD2 LEU E 99 -14.594-102.230 -6.188 1.00 16.63 C ATOM 640 N ASN E 100 -11.791-105.340 -2.723 1.00 8.67 N ATOM 641 CA ASN E 100 -10.697-105.564 -1.793 1.00 8.99 C ATOM 642 C ASN E 100 -9.416-105.138 -2.528 1.00 9.28 C ATOM 643 O ASN E 100 -9.250-105.445 -3.713 1.00 10.01 O ATOM 644 CB ASN E 100 -10.617-107.046 -1.414 1.00 9.54 C ATOM 645 CG ASN E 100 -9.656-107.300 -0.261 1.00 11.33 C ATOM 646 OD1 ASN E 100 -9.506-106.463 0.637 1.00 11.30 O ATOM 647 ND2 ASN E 100 -8.998-108.457 -0.278 1.00 11.07 N ATOM 648 N ASN E 101 -8.523-104.432 -1.835 1.00 7.38 N ATOM 649 CA ASN E 101 -7.266-103.946 -2.426 1.00 7.87 C ATOM 650 C ASN E 101 -7.512-102.942 -3.549 1.00 8.28 C ATOM 651 O ASN E 101 -6.839-102.976 -4.584 1.00 7.63 O ATOM 652 CB ASN E 101 -6.418-105.094 -2.993 1.00 8.76 C ATOM 653 CG ASN E 101 -6.129-106.175 -1.975 1.00 9.99 C ATOM 654 OD1 ASN E 101 -6.498-107.331 -2.173 1.00 13.39 O ATOM 655 ND2 ASN E 101 -5.464-105.811 -0.884 1.00 7.91 N ATOM 656 N ASP E 102 -8.473-102.050 -3.337 1.00 7.55 N ATOM 657 CA ASP E 102 -8.816-101.031 -4.326 1.00 7.05 C ATOM 658 C ASP E 102 -7.806 -99.887 -4.252 1.00 6.71 C ATOM 659 O ASP E 102 -8.075 -98.838 -3.664 1.00 8.07 O ATOM 660 CB ASP E 102 -10.227-100.511 -4.052 1.00 7.02 C ATOM 661 CG ASP E 102 -10.783 -99.685 -5.190 1.00 6.42 C ATOM 662 OD1 ASP E 102 -10.162 -99.641 -6.272 1.00 6.40 O ATOM 663 OD2 ASP E 102 -11.853 -99.076 -4.999 1.00 8.52 O ATOM 664 N ILE E 103 -6.634-100.105 -4.835 1.00 6.72 N ATOM 665 CA ILE E 103 -5.584 -99.101 -4.830 1.00 7.76 C ATOM 666 C ILE E 103 -4.769 -99.230 -6.114 1.00 7.14 C ATOM 667 O ILE E 103 -4.592-100.327 -6.655 1.00 7.65 O ATOM 668 CB ILE E 103 -4.688 -99.236 -3.563 1.00 8.39 C ATOM 669 CG1 ILE E 103 -3.664 -98.102 -3.524 1.00 9.68 C ATOM 670 CG2 ILE E 103 -4.027-100.606 -3.521 1.00 9.14 C ATOM 671 CD1 ILE E 103 -2.933 -97.995 -2.193 1.00 11.65 C ATOM 672 N MET E 104 -4.279 -98.095 -6.595 1.00 7.25 N ATOM 673 CA MET E 104 -3.538 -98.052 -7.843 1.00 8.05 C ATOM 674 C MET E 104 -2.536 -96.899 -7.834 1.00 8.51 C ATOM 675 O MET E 104 -2.799 -95.846 -7.263 1.00 8.42 O ATOM 676 CB MET E 104 -4.561 -97.898 -8.986 1.00 10.14 C ATOM 677 CG MET E 104 -4.041 -97.447 -10.328 1.00 12.70 C ATOM 678 SD MET E 104 -5.407 -97.303 -11.512 1.00 12.40 S ATOM 679 CE MET E 104 -5.861 -95.605 -11.268 1.00 11.12 C ATOM 680 N LEU E 105 -1.382 -97.114 -8.463 1.00 9.35 N ATOM 681 CA LEU E 105 -0.342 -96.092 -8.553 1.00 8.97 C ATOM 682 C LEU E 105 -0.226 -95.621 -9.993 1.00 9.52 C ATOM 683 O LEU E 105 -0.360 -96.413 -10.926 1.00 8.00 O ATOM 684 CB LEU E 105 1.013 -96.655 -8.114 1.00 10.29 C ATOM 685 CG LEU E 105 1.229 -96.918 -6.623 1.00 12.19 C ATOM 686 CD1 LEU E 105 2.526 -97.694 -6.433 1.00 11.93 C ATOM 687 CD2 LEU E 105 1.277 -95.603 -5.870 1.00 13.49 C ATOM 688 N ILE E 106 0.020 -94.326 -10.165 1.00 9.22 N ATOM 689 CA ILE E 106 0.187 -93.739 -11.486 1.00 9.29 C ATOM 690 C ILE E 106 1.506 -92.986 -11.483 1.00 9.10 C ATOM 691 O ILE E 106 1.752 -92.146 -10.618 1.00 8.58 O ATOM 692 CB ILE E 106 -0.929 -92.714 -11.830 1.00 9.89 C ATOM 693 CG1 ILE E 106 -2.301 -93.392 -11.841 1.00 10.41 C ATOM 694 CG2 ILE E 106 -0.645 -92.065 -13.191 1.00 9.32 C ATOM 695 CD1 ILE E 106 -3.472 -92.420 -11.878 1.00 8.31 C ATOM 696 N LYS E 107 2.370 -93.305 -12.432 1.00 9.32 N ATOM 697 CA LYS E 107 3.630 -92.604 -12.530 1.00 10.26 C ATOM 698 C LYS E 107 3.430 -91.582 -13.627 1.00 10.73 C ATOM 699 O LYS E 107 2.924 -91.910 -14.695 1.00 12.14 O ATOM 700 CB LYS E 107 4.754 -93.549 -12.913 1.00 11.47 C ATOM 701 CG LYS E 107 6.056 -92.825 -13.093 1.00 13.78 C ATOM 702 CD LYS E 107 7.141 -93.782 -13.496 1.00 16.75 C ATOM 703 CE LYS E 107 8.494 -93.150 -13.298 1.00 18.33 C ATOM 704 NZ LYS E 107 9.522 -93.980 -13.964 1.00 20.08 N ATOM 705 N LEU E 108 3.818 -90.343 -13.362 1.00 11.74 N ATOM 706 CA LEU E 108 3.659 -89.277 -14.341 1.00 12.01 C ATOM 707 C LEU E 108 4.752 -89.276 -15.400 1.00 12.98 C ATOM 708 O LEU E 108 5.869 -89.740 -15.164 1.00 11.97 O ATOM 709 CB LEU E 108 3.622 -87.925 -13.637 1.00 11.78 C ATOM 710 CG LEU E 108 2.561 -87.878 -12.541 1.00 12.97 C ATOM 711 CD1 LEU E 108 2.695 -86.588 -11.759 1.00 13.49 C ATOM 712 CD2 LEU E 108 1.178 -88.002 -13.163 1.00 14.15 C ATOM 713 N SER E 109 4.407 -88.742 -16.566 1.00 15.15 N ATOM 714 CA SER E 109 5.322 -88.663 -17.699 1.00 19.10 C ATOM 715 C SER E 109 6.606 -87.927 -17.334 1.00 19.49 C ATOM 716 O SER E 109 7.689 -88.293 -17.785 1.00 20.17 O ATOM 717 CB SER E 109 4.630 -87.964 -18.868 1.00 19.87 C ATOM 718 OG SER E 109 3.824 -88.882 -19.584 1.00 25.29 O ATOM 719 N SER E 110 6.476 -86.878 -16.530 1.00 19.86 N ATOM 720 CA SER E 110 7.625 -86.104 -16.081 1.00 21.44 C ATOM 721 C SER E 110 7.297 -85.552 -14.703 1.00 20.13 C ATOM 722 O SER E 110 6.126 -85.433 -14.340 1.00 18.07 O ATOM 723 CB SER E 110 7.941 -84.966 -17.065 1.00 23.44 C ATOM 724 OG SER E 110 6.906 -84.005 -17.104 1.00 27.75 O ATOM 725 N PRO E 111 8.328 -85.215 -13.912 1.00 19.00 N ATOM 726 CA PRO E 111 8.063 -84.682 -12.573 1.00 17.91 C ATOM 727 C PRO E 111 7.301 -83.370 -12.655 1.00 17.50 C ATOM 728 O PRO E 111 7.471 -82.609 -13.608 1.00 17.38 O ATOM 729 CB PRO E 111 9.455 -84.495 -11.967 1.00 17.18 C ATOM 730 CG PRO E 111 10.378 -85.276 -12.842 1.00 17.34 C ATOM 731 CD PRO E 111 9.769 -85.291 -14.201 1.00 17.84 C ATOM 732 N VAL E 112 6.449 -83.110 -11.671 1.00 17.79 N ATOM 733 CA VAL E 112 5.697 -81.861 -11.655 1.00 19.74 C ATOM 734 C VAL E 112 6.473 -80.845 -10.838 1.00 18.93 C ATOM 735 O VAL E 112 7.427 -81.190 -10.137 1.00 19.96 O ATOM 736 CB VAL E 112 4.278 -82.024 -11.039 1.00 20.50 C ATOM 737 CG1 VAL E 112 3.470 -83.012 -11.861 1.00 19.23 C ATOM 738 CG2 VAL E 112 4.376 -82.471 -9.589 1.00 20.64 C ATOM 739 N LYS E 113 6.073 -79.589 -10.942 1.00 20.09 N ATOM 740 CA LYS E 113 6.737 -78.541 -10.195 1.00 21.63 C ATOM 741 C LYS E 113 5.979 -78.347 -8.898 1.00 19.47 C ATOM 742 O LYS E 113 4.810 -77.974 -8.903 1.00 20.03 O ATOM 743 CB LYS E 113 6.762 -77.251 -11.013 1.00 25.82 C ATOM 744 CG LYS E 113 7.659 -77.343 -12.244 1.00 33.41 C ATOM 745 CD LYS E 113 7.189 -76.400 -13.347 1.00 40.52 C ATOM 746 CE LYS E 113 8.245 -75.342 -13.649 1.00 43.76 C ATOM 747 NZ LYS E 113 7.640 -74.015 -13.968 1.00 47.28 N ATOM 748 N LEU E 114 6.644 -78.628 -7.785 1.00 18.72 N ATOM 749 CA LEU E 114 6.019 -78.474 -6.487 1.00 18.09 C ATOM 750 C LEU E 114 6.091 -77.006 -6.075 1.00 19.91 C ATOM 751 O LEU E 114 7.140 -76.364 -6.191 1.00 19.82 O ATOM 752 CB LEU E 114 6.715 -79.374 -5.458 1.00 18.28 C ATOM 753 CG LEU E 114 6.689 -80.875 -5.781 1.00 17.51 C ATOM 754 CD1 LEU E 114 7.548 -81.640 -4.786 1.00 17.47 C ATOM 755 CD2 LEU E 114 5.259 -81.388 -5.750 1.00 16.37 C ATOM 756 N ASN E 115 4.954 -76.477 -5.626 1.00 20.75 N ATOM 757 CA ASN E 115 4.836 -75.088 -5.182 1.00 20.63 C ATOM 758 C ASN E 115 3.742 -75.004 -4.118 1.00 20.70 C ATOM 759 O ASN E 115 3.319 -76.022 -3.587 1.00 21.78 O ATOM 760 CB ASN E 115 4.504 -74.165 -6.369 1.00 21.83 C ATOM 761 CG ASN E 115 3.292 -74.634 -7.163 1.00 22.96 C ATOM 762 OD1 ASN E 115 2.206 -74.827 -6.612 1.00 24.16 O ATOM 763 ND2 ASN E 115 3.475 -74.815 -8.467 1.00 23.84 N ATOM 764 N ALA E 116 3.277 -73.800 -3.807 1.00 20.99 N ATOM 765 CA ALA E 116 2.241 -73.637 -2.793 1.00 22.57 C ATOM 766 C ALA E 116 0.919 -74.292 -3.176 1.00 21.90 C ATOM 767 O ALA E 116 0.150 -74.699 -2.308 1.00 23.52 O ATOM 768 CB ALA E 116 2.018 -72.153 -2.504 1.00 24.65 C ATOM 769 N ARG E 117 0.657 -74.403 -4.472 1.00 20.33 N ATOM 770 CA ARG E 117 -0.596 -74.988 -4.929 1.00 19.20 C ATOM 771 C ARG E 117 -0.494 -76.443 -5.355 1.00 16.66 C ATOM 772 O ARG E 117 -1.509 -77.109 -5.573 1.00 14.83 O ATOM 773 CB ARG E 117 -1.155 -74.137 -6.060 1.00 23.61 C ATOM 774 CG ARG E 117 -1.302 -72.699 -5.635 1.00 31.21 C ATOM 775 CD ARG E 117 -1.911 -71.849 -6.711 1.00 39.40 C ATOM 776 NE ARG E 117 -1.309 -70.521 -6.714 1.00 46.38 N ATOM 777 CZ ARG E 117 -1.700 -69.524 -5.924 1.00 49.71 C ATOM 778 NH1 ARG E 117 -2.705 -69.698 -5.071 1.00 52.12 N ATOM 779 NH2 ARG E 117 -1.086 -68.351 -5.981 1.00 51.45 N ATOM 780 N VAL E 118 0.731 -76.934 -5.467 1.00 13.53 N ATOM 781 CA VAL E 118 0.959 -78.309 -5.861 1.00 12.19 C ATOM 782 C VAL E 118 2.005 -78.902 -4.926 1.00 13.40 C ATOM 783 O VAL E 118 3.191 -78.572 -5.010 1.00 13.65 O ATOM 784 CB VAL E 118 1.440 -78.374 -7.318 1.00 12.53 C ATOM 785 CG1 VAL E 118 1.740 -79.814 -7.713 1.00 12.98 C ATOM 786 CG2 VAL E 118 0.371 -77.793 -8.231 1.00 11.44 C ATOM 787 N ALA E 119 1.552 -79.776 -4.029 1.00 11.49 N ATOM 788 CA ALA E 119 2.440 -80.402 -3.060 1.00 11.08 C ATOM 789 C ALA E 119 2.057 -81.849 -2.798 1.00 12.13 C ATOM 790 O ALA E 119 0.986 -82.309 -3.197 1.00 12.22 O ATOM 791 CB ALA E 119 2.417 -79.623 -1.762 1.00 12.87 C ATOM 792 N THR E 120 2.936 -82.561 -2.105 1.00 11.59 N ATOM 793 CA THR E 120 2.704 -83.964 -1.800 1.00 10.69 C ATOM 794 C THR E 120 2.082 -84.167 -0.414 1.00 11.38 C ATOM 795 O THR E 120 2.082 -83.257 0.429 1.00 11.66 O ATOM 796 CB THR E 120 4.028 -84.751 -1.869 1.00 12.51 C ATOM 797 OG1 THR E 120 4.895 -84.322 -0.809 1.00 14.90 O ATOM 798 CG2 THR E 120 4.722 -84.506 -3.204 1.00 13.86 C ATOM 799 N VAL E 121 1.524 -85.351 -0.194 1.00 10.34 N ATOM 800 CA VAL E 121 0.945 -85.684 1.096 1.00 10.39 C ATOM 801 C VAL E 121 1.722 -86.902 1.597 1.00 10.13 C ATOM 802 O VAL E 121 2.123 -87.768 0.812 1.00 8.34 O ATOM 803 CB VAL E 121 -0.582 -85.989 0.991 1.00 11.65 C ATOM 804 CG1 VAL E 121 -0.827 -87.202 0.104 1.00 11.90 C ATOM 805 CG2 VAL E 121 -1.168 -86.206 2.384 1.00 11.74 C ATOM 806 N ALA E 122 1.948 -86.944 2.908 1.00 10.61 N ATOM 807 CA ALA E 122 2.693 -88.019 3.547 1.00 10.35 C ATOM 808 C ALA E 122 1.932 -89.335 3.638 1.00 10.45 C ATOM 809 O ALA E 122 0.710 -89.347 3.806 1.00 10.08 O ATOM 810 CB ALA E 122 3.117 -87.578 4.944 1.00 11.86 C ATOM 811 N LEU E 123 2.665 -90.442 3.519 1.00 11.95 N ATOM 812 CA LEU E 123 2.077 -91.775 3.626 1.00 10.99 C ATOM 813 C LEU E 123 1.962 -92.009 5.130 1.00 11.92 C ATOM 814 O LEU E 123 2.713 -91.423 5.908 1.00 12.33 O ATOM 815 CB LEU E 123 2.991 -92.826 2.984 1.00 12.96 C ATOM 816 CG LEU E 123 3.048 -92.848 1.450 1.00 14.75 C ATOM 817 CD1 LEU E 123 4.024 -93.922 0.982 1.00 13.71 C ATOM 818 CD2 LEU E 123 1.658 -93.108 0.882 1.00 15.53 C ATOM 819 N PRO E 124 1.033 -92.871 5.561 1.00 11.20 N ATOM 820 CA PRO E 124 0.887 -93.108 7.006 1.00 11.21 C ATOM 821 C PRO E 124 2.093 -93.710 7.724 1.00 10.26 C ATOM 822 O PRO E 124 2.791 -94.564 7.180 1.00 10.04 O ATOM 823 CB PRO E 124 -0.342 -94.012 7.110 1.00 10.73 C ATOM 824 CG PRO E 124 -0.524 -94.601 5.751 1.00 11.73 C ATOM 825 CD PRO E 124 0.098 -93.671 4.753 1.00 11.29 C ATOM 826 N SER E 125 2.333 -93.251 8.949 1.00 11.51 N ATOM 827 CA SER E 125 3.435 -93.775 9.750 1.00 12.65 C ATOM 828 C SER E 125 2.907 -95.005 10.489 1.00 11.37 C ATOM 829 O SER E 125 3.679 -95.837 10.967 1.00 12.42 O ATOM 830 CB SER E 125 3.947 -92.715 10.733 1.00 13.87 C ATOM 831 OG SER E 125 2.920 -92.259 11.588 1.00 19.84 O ATOM 832 N SER E 127 1.580 -95.102 10.557 1.00 11.22 N ATOM 833 CA SER E 127 0.858 -96.220 11.178 1.00 11.65 C ATOM 834 C SER E 127 -0.636 -96.061 10.875 1.00 11.32 C ATOM 835 O SER E 127 -1.044 -95.078 10.262 1.00 12.87 O ATOM 836 CB SER E 127 1.080 -96.271 12.700 1.00 10.80 C ATOM 837 OG SER E 127 0.534 -95.139 13.348 1.00 14.54 O ATOM 838 N CYS E 128 -1.446 -97.023 11.299 1.00 11.30 N ATOM 839 CA CYS E 128 -2.885 -96.964 11.062 1.00 11.59 C ATOM 840 C CYS E 128 -3.561 -96.067 12.095 1.00 14.16 C ATOM 841 O CYS E 128 -3.414 -96.277 13.298 1.00 15.14 O ATOM 842 CB CYS E 128 -3.499 -98.365 11.131 1.00 11.26 C ATOM 843 SG CYS E 128 -2.868 -99.542 9.897 1.00 10.27 S ATOM 844 N ALA E 129 -4.310 -95.076 11.616 1.00 13.38 N ATOM 845 CA ALA E 129 -5.014 -94.141 12.490 1.00 14.55 C ATOM 846 C ALA E 129 -6.152 -94.844 13.214 1.00 14.82 C ATOM 847 O ALA E 129 -6.926 -95.590 12.610 1.00 13.82 O ATOM 848 CB ALA E 129 -5.561 -92.971 11.677 1.00 16.47 C ATOM 849 N PRO E 130 -6.277 -94.599 14.525 1.00 13.47 N ATOM 850 CA PRO E 130 -7.328 -95.215 15.336 1.00 12.91 C ATOM 851 C PRO E 130 -8.710 -94.652 15.051 1.00 11.61 C ATOM 852 O PRO E 130 -8.853 -93.521 14.590 1.00 11.16 O ATOM 853 CB PRO E 130 -6.887 -94.920 16.764 1.00 15.18 C ATOM 854 CG PRO E 130 -6.131 -93.638 16.648 1.00 14.90 C ATOM 855 CD PRO E 130 -5.424 -93.701 15.322 1.00 12.61 C ATOM 856 N ALA E 132 -9.728 -95.462 15.324 1.00 11.66 N ATOM 857 CA ALA E 132 -11.106 -95.045 15.128 1.00 11.54 C ATOM 858 C ALA E 132 -11.285 -93.780 15.962 1.00 11.82 C ATOM 859 O ALA E 132 -10.684 -93.649 17.035 1.00 13.20 O ATOM 860 CB ALA E 132 -12.058 -96.138 15.604 1.00 11.01 C ATOM 861 N GLY E 133 -12.087 -92.845 15.464 1.00 10.44 N ATOM 862 CA GLY E 133 -12.309 -91.607 16.189 1.00 9.59 C ATOM 863 C GLY E 133 -11.453 -90.452 15.704 1.00 10.20 C ATOM 864 O GLY E 133 -11.720 -89.297 16.042 1.00 10.30 O ATOM 865 N THR E 134 -10.424 -90.756 14.914 1.00 9.66 N ATOM 866 CA THR E 134 -9.532 -89.727 14.380 1.00 8.98 C ATOM 867 C THR E 134 -10.285 -88.878 13.360 1.00 9.03 C ATOM 868 O THR E 134 -10.929 -89.412 12.458 1.00 10.20 O ATOM 869 CB THR E 134 -8.305 -90.351 13.686 1.00 9.02 C ATOM 870 OG1 THR E 134 -7.589 -91.170 14.618 1.00 10.55 O ATOM 871 CG2 THR E 134 -7.373 -89.269 13.161 1.00 8.40 C ATOM 872 N GLN E 135 -10.215 -87.559 13.506 1.00 8.14 N ATOM 873 CA GLN E 135 -10.902 -86.663 12.583 1.00 9.20 C ATOM 874 C GLN E 135 -10.096 -86.510 11.289 1.00 8.20 C ATOM 875 O GLN E 135 -8.887 -86.294 11.325 1.00 9.76 O ATOM 876 CB GLN E 135 -11.122 -85.303 13.254 1.00 8.74 C ATOM 877 CG GLN E 135 -12.028 -84.357 12.479 1.00 13.68 C ATOM 878 CD GLN E 135 -13.510 -84.607 12.716 1.00 16.32 C ATOM 879 OE1 GLN E 135 -13.905 -85.612 13.314 1.00 19.90 O ATOM 880 NE2 GLN E 135 -14.341 -83.684 12.243 1.00 16.84 N ATOM 881 N CYS E 136 -10.771 -86.622 10.148 1.00 8.94 N ATOM 882 CA CYS E 136 -10.097 -86.521 8.853 1.00 9.55 C ATOM 883 C CYS E 136 -10.734 -85.540 7.869 1.00 9.89 C ATOM 884 O CYS E 136 -11.841 -85.047 8.093 1.00 9.25 O ATOM 885 CB CYS E 136 -10.035 -87.905 8.193 1.00 9.80 C ATOM 886 SG CYS E 136 -9.441 -89.225 9.290 1.00 10.93 S ATOM 887 N LEU E 137 -10.008 -85.272 6.778 1.00 9.62 N ATOM 888 CA LEU E 137 -10.464 -84.388 5.710 1.00 8.48 C ATOM 889 C LEU E 137 -10.571 -85.178 4.410 1.00 7.29 C ATOM 890 O LEU E 137 -9.588 -85.739 3.936 1.00 7.09 O ATOM 891 CB LEU E 137 -9.497 -83.215 5.495 1.00 9.97 C ATOM 892 CG LEU E 137 -9.892 -82.268 4.343 1.00 11.50 C ATOM 893 CD1 LEU E 137 -11.202 -81.574 4.689 1.00 11.58 C ATOM 894 CD2 LEU E 137 -8.798 -81.235 4.082 1.00 11.71 C ATOM 895 N ILE E 138 -11.775 -85.206 3.848 1.00 6.89 N ATOM 896 CA ILE E 138 -12.049 -85.900 2.591 1.00 8.81 C ATOM 897 C ILE E 138 -12.297 -84.823 1.547 1.00 8.42 C ATOM 898 O ILE E 138 -12.996 -83.854 1.822 1.00 9.03 O ATOM 899 CB ILE E 138 -13.322 -86.764 2.699 1.00 10.83 C ATOM 900 CG1 ILE E 138 -13.159 -87.789 3.826 1.00 13.25 C ATOM 901 CG2 ILE E 138 -13.607 -87.447 1.370 1.00 10.57 C ATOM 902 CD1 ILE E 138 -14.423 -88.016 4.615 1.00 16.88 C ATOM 903 N SER E 139 -11.737 -84.981 0.353 1.00 7.95 N ATOM 904 CA SER E 139 -11.939 -83.979 -0.691 1.00 8.49 C ATOM 905 C SER E 139 -12.165 -84.574 -2.081 1.00 7.55 C ATOM 906 O SER E 139 -11.798 -85.722 -2.345 1.00 7.79 O ATOM 907 CB SER E 139 -10.750 -83.010 -0.734 1.00 6.38 C ATOM 908 OG SER E 139 -9.517 -83.697 -0.764 1.00 6.18 O ATOM 909 N GLY E 140 -12.766 -83.777 -2.960 1.00 7.72 N ATOM 910 CA GLY E 140 -13.023 -84.225 -4.315 1.00 8.24 C ATOM 911 C GLY E 140 -14.046 -83.370 -5.044 1.00 9.74 C ATOM 912 O GLY E 140 -14.672 -82.485 -4.448 1.00 7.89 O ATOM 913 N TRP E 141 -14.190 -83.625 -6.344 1.00 9.42 N ATOM 914 CA TRP E 141 -15.150 -82.925 -7.191 1.00 10.99 C ATOM 915 C TRP E 141 -16.265 -83.952 -7.389 1.00 13.68 C ATOM 916 O TRP E 141 -15.992 -85.149 -7.447 1.00 12.20 O ATOM 917 CB TRP E 141 -14.515 -82.566 -8.540 1.00 9.83 C ATOM 918 CG TRP E 141 -13.532 -81.429 -8.475 1.00 8.12 C ATOM 919 CD1 TRP E 141 -13.812 -80.095 -8.580 1.00 7.55 C ATOM 920 CD2 TRP E 141 -12.111 -81.526 -8.298 1.00 8.34 C ATOM 921 NE1 TRP E 141 -12.662 -79.356 -8.475 1.00 6.73 N ATOM 922 CE2 TRP E 141 -11.601 -80.205 -8.303 1.00 8.55 C ATOM 923 CE3 TRP E 141 -11.222 -82.598 -8.132 1.00 8.03 C ATOM 924 CZ2 TRP E 141 -10.237 -79.925 -8.147 1.00 8.27 C ATOM 925 CZ3 TRP E 141 -9.862 -82.322 -7.981 1.00 6.46 C ATOM 926 CH2 TRP E 141 -9.385 -80.991 -7.989 1.00 6.48 C ATOM 927 N GLY E 142 -17.506 -83.505 -7.503 1.00 17.85 N ATOM 928 CA GLY E 142 -18.595 -84.455 -7.640 1.00 26.67 C ATOM 929 C GLY E 142 -19.196 -84.638 -9.024 1.00 32.78 C ATOM 930 O GLY E 142 -18.484 -84.591 -10.020 1.00 34.65 O ATOM 931 N ASN E 143 -20.505 -84.842 -9.078 1.00 37.54 N ATOM 932 CA ASN E 143 -21.223 -85.036 -10.345 1.00 40.80 C ATOM 933 C ASN E 143 -21.962 -83.769 -10.734 1.00 41.84 C ATOM 934 O ASN E 143 -23.080 -83.539 -10.278 1.00 44.31 O ATOM 935 CB ASN E 143 -22.229 -86.197 -10.209 1.00 42.41 C ATOM 936 CG ASN E 143 -22.769 -86.652 -11.560 1.00 44.91 C ATOM 937 OD1 ASN E 143 -23.814 -87.309 -11.660 1.00 47.75 O ATOM 938 ND2 ASN E 143 -22.054 -86.299 -12.621 1.00 45.04 N ATOM 939 N VAL E 149 -20.873 -76.335 -19.137 1.00 45.01 N ATOM 940 CA VAL E 149 -19.430 -76.504 -19.255 1.00 43.42 C ATOM 941 C VAL E 149 -18.735 -75.268 -18.704 1.00 41.00 C ATOM 942 O VAL E 149 -17.529 -75.269 -18.458 1.00 40.52 O ATOM 943 CB VAL E 149 -19.017 -76.704 -20.731 1.00 43.97 C ATOM 944 CG1 VAL E 149 -18.910 -75.354 -21.431 1.00 43.96 C ATOM 945 CG2 VAL E 149 -17.703 -77.442 -20.809 1.00 44.94 C ATOM 946 N ASN E 150 -19.518 -74.215 -18.518 1.00 38.56 N ATOM 947 CA ASN E 150 -19.012 -72.963 -18.005 1.00 37.06 C ATOM 948 C ASN E 150 -19.358 -72.768 -16.538 1.00 35.92 C ATOM 949 O ASN E 150 -18.911 -71.804 -15.916 1.00 35.39 O ATOM 950 CB ASN E 150 -19.573 -71.795 -18.833 1.00 36.81 C ATOM 951 CG ASN E 150 -21.059 -71.604 -18.630 1.00 37.35 C ATOM 952 OD1 ASN E 150 -21.842 -72.541 -18.801 1.00 37.08 O ATOM 953 ND2 ASN E 150 -21.456 -70.397 -18.239 1.00 36.90 N ATOM 954 N GLU E 151 -20.164 -73.666 -15.988 1.00 34.17 N ATOM 955 CA GLU E 151 -20.545 -73.541 -14.594 1.00 32.66 C ATOM 956 C GLU E 151 -19.392 -73.998 -13.709 1.00 29.25 C ATOM 957 O GLU E 151 -18.639 -74.904 -14.059 1.00 27.14 O ATOM 958 CB GLU E 151 -21.804 -74.364 -14.308 1.00 37.37 C ATOM 959 CG GLU E 151 -23.031 -73.939 -15.118 1.00 43.86 C ATOM 960 CD GLU E 151 -23.379 -72.462 -14.961 1.00 48.29 C ATOM 961 OE1 GLU E 151 -23.247 -71.928 -13.837 1.00 50.53 O ATOM 962 OE2 GLU E 151 -23.793 -71.837 -15.963 1.00 51.80 O ATOM 963 N PRO E 152 -19.243 -73.361 -12.539 1.00 26.81 N ATOM 964 CA PRO E 152 -18.155 -73.739 -11.632 1.00 25.09 C ATOM 965 C PRO E 152 -18.280 -75.133 -11.018 1.00 22.35 C ATOM 966 O PRO E 152 -19.341 -75.529 -10.542 1.00 22.28 O ATOM 967 CB PRO E 152 -18.169 -72.631 -10.573 1.00 25.48 C ATOM 968 CG PRO E 152 -19.526 -72.013 -10.653 1.00 27.93 C ATOM 969 CD PRO E 152 -20.066 -72.257 -12.027 1.00 27.53 C ATOM 970 N ASP E 153 -17.179 -75.878 -11.063 1.00 19.77 N ATOM 971 CA ASP E 153 -17.086 -77.218 -10.495 1.00 16.66 C ATOM 972 C ASP E 153 -15.906 -77.076 -9.547 1.00 12.91 C ATOM 973 O ASP E 153 -14.747 -77.240 -9.947 1.00 10.05 O ATOM 974 CB ASP E 153 -16.777 -78.242 -11.582 1.00 18.19 C ATOM 975 CG ASP E 153 -17.093 -79.658 -11.140 1.00 19.91 C ATOM 976 OD1 ASP E 153 -17.174 -79.896 -9.916 1.00 20.71 O ATOM 977 OD2 ASP E 153 -17.262 -80.527 -12.013 1.00 21.45 O ATOM 978 N LEU E 154 -16.220 -76.735 -8.298 1.00 10.69 N ATOM 979 CA LEU E 154 -15.213 -76.495 -7.278 1.00 9.85 C ATOM 980 C LEU E 154 -14.949 -77.657 -6.342 1.00 8.57 C ATOM 981 O LEU E 154 -15.850 -78.429 -6.016 1.00 9.63 O ATOM 982 CB LEU E 154 -15.610 -75.263 -6.467 1.00 11.55 C ATOM 983 CG LEU E 154 -16.089 -74.105 -7.339 1.00 11.09 C ATOM 984 CD1 LEU E 154 -16.730 -73.037 -6.478 1.00 13.34 C ATOM 985 CD2 LEU E 154 -14.913 -73.543 -8.109 1.00 12.20 C ATOM 986 N LEU E 155 -13.699 -77.756 -5.902 1.00 8.91 N ATOM 987 CA LEU E 155 -13.278 -78.815 -4.996 1.00 8.97 C ATOM 988 C LEU E 155 -14.068 -78.751 -3.697 1.00 8.61 C ATOM 989 O LEU E 155 -14.166 -77.690 -3.072 1.00 9.75 O ATOM 990 CB LEU E 155 -11.782 -78.689 -4.702 1.00 7.58 C ATOM 991 CG LEU E 155 -11.163 -79.793 -3.840 1.00 7.63 C ATOM 992 CD1 LEU E 155 -11.285 -81.137 -4.548 1.00 6.91 C ATOM 993 CD2 LEU E 155 -9.707 -79.463 -3.566 1.00 8.21 C ATOM 994 N GLN E 156 -14.627 -79.893 -3.301 1.00 8.41 N ATOM 995 CA GLN E 156 -15.419 -79.990 -2.083 1.00 7.14 C ATOM 996 C GLN E 156 -14.649 -80.673 -0.966 1.00 9.09 C ATOM 997 O GLN E 156 -13.804 -81.540 -1.203 1.00 8.21 O ATOM 998 CB GLN E 156 -16.707 -80.751 -2.352 1.00 8.96 C ATOM 999 CG GLN E 156 -17.581 -80.104 -3.404 1.00 10.87 C ATOM 1000 CD GLN E 156 -17.998 -78.699 -3.025 1.00 15.01 C ATOM 1001 OE1 GLN E 156 -18.750 -78.498 -2.069 1.00 16.69 O ATOM 1002 NE2 GLN E 156 -17.513 -77.713 -3.777 1.00 13.17 N ATOM 1003 N CYS E 157 -14.967 -80.272 0.261 1.00 9.76 N ATOM 1004 CA CYS E 157 -14.307 -80.782 1.451 1.00 9.12 C ATOM 1005 C CYS E 157 -15.323 -81.284 2.475 1.00 9.89 C ATOM 1006 O CYS E 157 -16.464 -80.822 2.523 1.00 11.09 O ATOM 1007 CB CYS E 157 -13.468 -79.665 2.089 1.00 9.04 C ATOM 1008 SG CYS E 157 -11.796 -79.402 1.407 1.00 11.24 S ATOM 1009 N LEU E 158 -14.889 -82.222 3.309 1.00 9.19 N ATOM 1010 CA LEU E 158 -15.742 -82.776 4.345 1.00 9.17 C ATOM 1011 C LEU E 158 -14.888 -83.239 5.519 1.00 9.26 C ATOM 1012 O LEU E 158 -13.928 -83.979 5.343 1.00 9.15 O ATOM 1013 CB LEU E 158 -16.553 -83.954 3.795 1.00 11.80 C ATOM 1014 CG LEU E 158 -17.483 -84.671 4.778 1.00 14.59 C ATOM 1015 CD1 LEU E 158 -18.686 -83.796 5.089 1.00 16.87 C ATOM 1016 CD2 LEU E 158 -17.930 -85.989 4.181 1.00 16.24 C ATOM 1017 N ASP E 159 -15.233 -82.778 6.715 1.00 7.89 N ATOM 1018 CA ASP E 159 -14.517 -83.169 7.921 1.00 9.57 C ATOM 1019 C ASP E 159 -15.313 -84.325 8.517 1.00 9.64 C ATOM 1020 O ASP E 159 -16.487 -84.175 8.832 1.00 11.15 O ATOM 1021 CB ASP E 159 -14.453 -81.996 8.908 1.00 9.91 C ATOM 1022 CG ASP E 159 -13.672 -80.818 8.358 1.00 11.38 C ATOM 1023 OD1 ASP E 159 -12.449 -80.956 8.167 1.00 14.81 O ATOM 1024 OD2 ASP E 159 -14.280 -79.757 8.119 1.00 14.39 O ATOM 1025 N ALA E 160 -14.679 -85.484 8.656 1.00 8.57 N ATOM 1026 CA ALA E 160 -15.362 -86.651 9.188 1.00 8.20 C ATOM 1027 C ALA E 160 -14.396 -87.604 9.885 1.00 7.36 C ATOM 1028 O ALA E 160 -13.227 -87.692 9.519 1.00 9.23 O ATOM 1029 CB ALA E 160 -16.089 -87.367 8.062 1.00 8.18 C ATOM 1030 N PRO E 161 -14.879 -88.342 10.897 1.00 8.29 N ATOM 1031 CA PRO E 161 -14.044 -89.285 11.646 1.00 9.04 C ATOM 1032 C PRO E 161 -14.003 -90.720 11.122 1.00 9.06 C ATOM 1033 O PRO E 161 -14.938 -91.194 10.469 1.00 9.38 O ATOM 1034 CB PRO E 161 -14.660 -89.252 13.029 1.00 9.47 C ATOM 1035 CG PRO E 161 -16.140 -89.165 12.713 1.00 8.98 C ATOM 1036 CD PRO E 161 -16.253 -88.323 11.434 1.00 9.00 C ATOM 1037 N LEU E 162 -12.908 -91.408 11.425 1.00 9.80 N ATOM 1038 CA LEU E 162 -12.773 -92.807 11.054 1.00 10.30 C ATOM 1039 C LEU E 162 -13.704 -93.515 12.027 1.00 11.22 C ATOM 1040 O LEU E 162 -13.713 -93.195 13.216 1.00 10.89 O ATOM 1041 CB LEU E 162 -11.344 -93.289 11.281 1.00 9.45 C ATOM 1042 CG LEU E 162 -10.273 -92.597 10.443 1.00 13.58 C ATOM 1043 CD1 LEU E 162 -8.911 -93.174 10.766 1.00 16.57 C ATOM 1044 CD2 LEU E 162 -10.585 -92.780 8.972 1.00 16.73 C ATOM 1045 N LEU E 163 -14.493 -94.458 11.539 1.00 10.77 N ATOM 1046 CA LEU E 163 -15.415 -95.160 12.419 1.00 10.99 C ATOM 1047 C LEU E 163 -14.828 -96.490 12.869 1.00 10.78 C ATOM 1048 O LEU E 163 -13.931 -97.035 12.230 1.00 10.07 O ATOM 1049 CB LEU E 163 -16.744 -95.399 11.702 1.00 11.22 C ATOM 1050 CG LEU E 163 -17.485 -94.185 11.127 1.00 11.93 C ATOM 1051 CD1 LEU E 163 -18.587 -94.668 10.197 1.00 13.83 C ATOM 1052 CD2 LEU E 163 -18.075 -93.337 12.247 1.00 16.38 C ATOM 1053 N PRO E 164 -15.305 -97.018 14.005 1.00 13.57 N ATOM 1054 CA PRO E 164 -14.770 -98.307 14.468 1.00 13.89 C ATOM 1055 C PRO E 164 -15.148 -99.413 13.464 1.00 13.10 C ATOM 1056 O PRO E 164 -16.208 -99.346 12.846 1.00 12.90 O ATOM 1057 CB PRO E 164 -15.430 -98.505 15.840 1.00 14.94 C ATOM 1058 CG PRO E 164 -16.036 -97.170 16.207 1.00 16.00 C ATOM 1059 CD PRO E 164 -16.317 -96.462 14.915 1.00 14.17 C ATOM 1060 N GLN E 165 -14.282-100.416 13.301 1.00 13.92 N ATOM 1061 CA GLN E 165 -14.520-101.525 12.355 1.00 16.60 C ATOM 1062 C GLN E 165 -15.870-102.216 12.580 1.00 16.60 C ATOM 1063 O GLN E 165 -16.561-102.574 11.625 1.00 16.40 O ATOM 1064 CB GLN E 165 -13.424-102.601 12.474 1.00 18.09 C ATOM 1065 CG GLN E 165 -12.242-102.596 11.466 1.00 24.62 C ATOM 1066 CD GLN E 165 -12.548-102.031 10.075 1.00 23.58 C ATOM 1067 OE1 GLN E 165 -12.613-102.767 9.086 1.00 24.58 O ATOM 1068 NE2 GLN E 165 -12.703-100.719 9.995 1.00 23.49 N ATOM 1069 N ALA E 166 -16.231-102.422 13.844 1.00 16.39 N ATOM 1070 CA ALA E 166 -17.487-103.088 14.179 1.00 15.70 C ATOM 1071 C ALA E 166 -18.704-102.357 13.627 1.00 14.83 C ATOM 1072 O ALA E 166 -19.674-102.987 13.215 1.00 16.21 O ATOM 1073 CB ALA E 166 -17.606-103.243 15.694 1.00 15.43 C ATOM 1074 N ASP E 167 -18.653-101.028 13.628 1.00 14.72 N ATOM 1075 CA ASP E 167 -19.754-100.212 13.116 1.00 16.49 C ATOM 1076 C ASP E 167 -19.785-100.319 11.592 1.00 15.17 C ATOM 1077 O ASP E 167 -20.853-100.363 10.974 1.00 14.77 O ATOM 1078 CB ASP E 167 -19.566 -98.745 13.519 1.00 18.82 C ATOM 1079 CG ASP E 167 -19.997 -98.473 14.953 1.00 23.72 C ATOM 1080 OD1 ASP E 167 -20.718 -99.314 15.532 1.00 25.34 O ATOM 1081 OD2 ASP E 167 -19.615 -97.417 15.506 1.00 27.62 O ATOM 1082 N CYS E 168 -18.596-100.355 11.000 1.00 14.49 N ATOM 1083 CA CYS E 168 -18.445-100.472 9.554 1.00 12.91 C ATOM 1084 C CYS E 168 -19.039-101.813 9.127 1.00 13.36 C ATOM 1085 O CYS E 168 -19.855-101.885 8.207 1.00 12.98 O ATOM 1086 CB CYS E 168 -16.958-100.414 9.193 1.00 11.89 C ATOM 1087 SG CYS E 168 -16.598-100.140 7.438 1.00 12.90 S ATOM 1088 N GLU E 169 -18.633-102.868 9.829 1.00 15.46 N ATOM 1089 CA GLU E 169 -19.098-104.223 9.558 1.00 17.11 C ATOM 1090 C GLU E 169 -20.609-104.356 9.738 1.00 18.05 C ATOM 1091 O GLU E 169 -21.277-105.020 8.946 1.00 19.44 O ATOM 1092 CB GLU E 169 -18.367-105.218 10.472 1.00 19.10 C ATOM 1093 CG GLU E 169 -16.882-105.363 10.123 1.00 25.85 C ATOM 1094 CD GLU E 169 -16.063-106.092 11.185 1.00 28.82 C ATOM 1095 OE1 GLU E 169 -16.562-106.298 12.313 1.00 31.99 O ATOM 1096 OE2 GLU E 169 -14.907-106.459 10.885 1.00 29.75 O ATOM 1097 N ALA E 170 -21.149-103.717 10.772 1.00 16.44 N ATOM 1098 CA ALA E 170 -22.580-103.784 11.038 1.00 16.03 C ATOM 1099 C ALA E 170 -23.390-103.092 9.950 1.00 17.15 C ATOM 1100 O ALA E 170 -24.539-103.451 9.701 1.00 18.86 O ATOM 1101 CB ALA E 170 -22.888-103.160 12.391 1.00 16.61 C ATOM 1102 N SER E 171 -22.788-102.100 9.303 1.00 15.04 N ATOM 1103 CA SER E 171 -23.460-101.353 8.244 1.00 14.83 C ATOM 1104 C SER E 171 -23.409-102.089 6.907 1.00 13.64 C ATOM 1105 O SER E 171 -24.313-101.956 6.080 1.00 14.99 O ATOM 1106 CB SER E 171 -22.814 -99.974 8.089 1.00 14.22 C ATOM 1107 OG SER E 171 -23.201 -99.107 9.143 1.00 17.34 O ATOM 1108 N TYR E 172 -22.344-102.857 6.708 1.00 13.47 N ATOM 1109 CA TYR E 172 -22.140-103.614 5.475 1.00 14.04 C ATOM 1110 C TYR E 172 -21.835-105.066 5.827 1.00 15.74 C ATOM 1111 O TYR E 172 -20.704-105.532 5.666 1.00 15.46 O ATOM 1112 CB TYR E 172 -20.966-103.029 4.695 1.00 12.55 C ATOM 1113 CG TYR E 172 -21.192-101.626 4.193 1.00 10.71 C ATOM 1114 CD1 TYR E 172 -21.845-101.401 2.987 1.00 10.04 C ATOM 1115 CD2 TYR E 172 -20.728-100.520 4.907 1.00 9.56 C ATOM 1116 CE1 TYR E 172 -22.035-100.115 2.496 1.00 9.23 C ATOM 1117 CE2 TYR E 172 -20.913 -99.223 4.426 1.00 10.20 C ATOM 1118 CZ TYR E 172 -21.569 -99.034 3.215 1.00 9.42 C ATOM 1119 OH TYR E 172 -21.758 -97.774 2.712 1.00 9.03 O ATOM 1120 N PRO E 173 -22.850-105.808 6.291 1.00 16.28 N ATOM 1121 CA PRO E 173 -22.688-107.214 6.676 1.00 16.32 C ATOM 1122 C PRO E 173 -22.016-108.087 5.623 1.00 16.49 C ATOM 1123 O PRO E 173 -22.487-108.177 4.483 1.00 16.67 O ATOM 1124 CB PRO E 173 -24.114-107.681 6.974 1.00 16.82 C ATOM 1125 CG PRO E 173 -24.893-106.438 7.209 1.00 16.67 C ATOM 1126 CD PRO E 173 -24.243-105.349 6.427 1.00 16.26 C ATOM 1127 N GLY E 174 -20.916-108.723 6.022 1.00 15.28 N ATOM 1128 CA GLY E 174 -20.179-109.611 5.139 1.00 18.17 C ATOM 1129 C GLY E 174 -19.409-108.982 3.989 1.00 19.53 C ATOM 1130 O GLY E 174 -18.828-109.704 3.173 1.00 21.06 O ATOM 1131 N LYS E 175 -19.364-107.651 3.932 1.00 18.32 N ATOM 1132 CA LYS E 175 -18.683-106.962 2.836 1.00 17.70 C ATOM 1133 C LYS E 175 -17.391-106.204 3.155 1.00 16.38 C ATOM 1134 O LYS E 175 -16.690-105.763 2.242 1.00 17.50 O ATOM 1135 CB LYS E 175 -19.673-106.003 2.165 1.00 18.56 C ATOM 1136 CG LYS E 175 -21.009-106.645 1.818 1.00 21.18 C ATOM 1137 CD LYS E 175 -20.801-107.899 0.979 1.00 25.50 C ATOM 1138 CE LYS E 175 -21.994-108.192 0.090 1.00 28.65 C ATOM 1139 NZ LYS E 175 -21.584-108.318 -1.338 1.00 34.32 N ATOM 1140 N ILE E 176 -17.068-106.064 4.436 1.00 15.16 N ATOM 1141 CA ILE E 176 -15.875-105.328 4.859 1.00 13.41 C ATOM 1142 C ILE E 176 -14.657-106.207 5.154 1.00 13.82 C ATOM 1143 O ILE E 176 -14.726-107.121 5.976 1.00 15.68 O ATOM 1144 CB ILE E 176 -16.208-104.471 6.116 1.00 12.20 C ATOM 1145 CG1 ILE E 176 -17.415-103.576 5.821 1.00 12.08 C ATOM 1146 CG2 ILE E 176 -15.018-103.627 6.523 1.00 10.79 C ATOM 1147 CD1 ILE E 176 -17.207-102.613 4.665 1.00 13.01 C ATOM 1148 N THR E 177 -13.541-105.929 4.479 1.00 11.71 N ATOM 1149 CA THR E 177 -12.311-106.684 4.705 1.00 12.35 C ATOM 1150 C THR E 177 -11.371-105.841 5.568 1.00 13.81 C ATOM 1151 O THR E 177 -11.656-104.681 5.855 1.00 12.56 O ATOM 1152 CB THR E 177 -11.583-107.036 3.385 1.00 12.35 C ATOM 1153 OG1 THR E 177 -10.958-105.862 2.854 1.00 11.66 O ATOM 1154 CG2 THR E 177 -12.553-107.603 2.364 1.00 12.18 C ATOM 1155 N ASP E 178 -10.251-106.429 5.970 1.00 14.66 N ATOM 1156 CA ASP E 178 -9.272-105.739 6.795 1.00 16.67 C ATOM 1157 C ASP E 178 -8.586-104.597 6.030 1.00 14.76 C ATOM 1158 O ASP E 178 -7.882-103.775 6.623 1.00 14.70 O ATOM 1159 CB ASP E 178 -8.228-106.747 7.283 1.00 23.19 C ATOM 1160 CG ASP E 178 -7.203-106.124 8.219 1.00 31.77 C ATOM 1161 OD1 ASP E 178 -7.602-105.389 9.156 1.00 35.35 O ATOM 1162 OD2 ASP E 178 -5.991-106.369 8.021 1.00 36.22 O ATOM 1163 N ASN E 179 -8.800-104.532 4.718 1.00 12.61 N ATOM 1164 CA ASN E 179 -8.176-103.485 3.915 1.00 11.07 C ATOM 1165 C ASN E 179 -9.117-102.319 3.670 1.00 11.04 C ATOM 1166 O ASN E 179 -8.849-101.453 2.835 1.00 10.74 O ATOM 1167 CB ASN E 179 -7.693-104.066 2.588 1.00 10.30 C ATOM 1168 CG ASN E 179 -6.681-105.173 2.784 1.00 13.12 C ATOM 1169 OD1 ASN E 179 -5.678-104.996 3.476 1.00 12.29 O ATOM 1170 ND2 ASN E 179 -6.944-106.328 2.190 1.00 14.86 N ATOM 1171 N MET E 180 -10.219-102.294 4.413 1.00 9.06 N ATOM 1172 CA MET E 180 -11.199-101.227 4.280 1.00 7.78 C ATOM 1173 C MET E 180 -11.481-100.589 5.628 1.00 9.57 C ATOM 1174 O MET E 180 -11.301-101.212 6.679 1.00 9.58 O ATOM 1175 CB MET E 180 -12.514-101.765 3.717 1.00 6.85 C ATOM 1176 CG MET E 180 -12.393-102.546 2.410 1.00 7.36 C ATOM 1177 SD MET E 180 -13.963-103.323 1.978 1.00 10.22 S ATOM 1178 CE MET E 180 -13.509-104.249 0.486 1.00 7.92 C ATOM 1179 N VAL E 181 -11.932 -99.339 5.579 1.00 9.35 N ATOM 1180 CA VAL E 181 -12.293 -98.581 6.768 1.00 8.97 C ATOM 1181 C VAL E 181 -13.463 -97.660 6.408 1.00 9.92 C ATOM 1182 O VAL E 181 -13.538 -97.145 5.282 1.00 10.07 O ATOM 1183 CB AVAL E 181 -11.125 -97.686 7.242 0.50 10.63 C ATOM 1184 CB BVAL E 181 -11.095 -97.750 7.316 0.50 9.48 C ATOM 1185 CG1AVAL E 181 -11.485 -96.843 8.465 0.50 12.45 C ATOM 1186 CG1BVAL E 181 -10.574 -96.779 6.244 0.50 5.92 C ATOM 1187 CG2AVAL E 181 -9.890 -98.492 7.657 0.50 10.58 C ATOM 1188 CG2BVAL E 181 -11.519 -97.021 8.588 0.50 10.47 C ATOM 1189 N CYS E 182 -14.387 -97.473 7.346 1.00 8.91 N ATOM 1190 CA CYS E 182 -15.530 -96.596 7.121 1.00 8.72 C ATOM 1191 C CYS E 182 -15.172 -95.230 7.702 1.00 7.46 C ATOM 1192 O CYS E 182 -14.531 -95.143 8.749 1.00 8.56 O ATOM 1193 CB CYS E 182 -16.783 -97.138 7.826 1.00 8.30 C ATOM 1194 SG CYS E 182 -17.662 -98.484 6.970 1.00 11.10 S ATOM 1195 N VAL E 183 -15.586 -94.172 7.020 1.00 8.84 N ATOM 1196 CA VAL E 183 -15.335 -92.804 7.469 1.00 8.58 C ATOM 1197 C VAL E 183 -16.619 -92.042 7.224 1.00 10.04 C ATOM 1198 O VAL E 183 -17.173 -92.090 6.129 1.00 11.45 O ATOM 1199 CB VAL E 183 -14.212 -92.106 6.657 1.00 8.13 C ATOM 1200 CG1 VAL E 183 -13.937 -90.719 7.234 1.00 7.72 C ATOM 1201 CG2 VAL E 183 -12.954 -92.952 6.663 1.00 8.30 C ATOM 1202 N GLY E 184 -17.102 -91.346 8.242 1.00 10.78 N ATOM 1203 CA GLY E 184 -18.323 -90.589 8.074 1.00 12.79 C ATOM 1204 C GLY E 184 -19.221 -90.611 9.294 1.00 13.63 C ATOM 1205 O GLY E 184 -18.737 -90.573 10.430 1.00 12.62 O ATOM 1206 N PHE E 184A -20.528 -90.677 9.047 1.00 14.18 N ATOM 1207 CA PHE E 184A -21.539 -90.678 10.104 1.00 16.51 C ATOM 1208 C PHE E 184A -22.589 -91.760 9.873 1.00 16.34 C ATOM 1209 O PHE E 184A -23.117 -91.903 8.772 1.00 15.94 O ATOM 1210 CB PHE E 184A -22.206 -89.301 10.159 1.00 17.43 C ATOM 1211 CG PHE E 184A -21.234 -88.165 10.039 1.00 19.12 C ATOM 1212 CD1 PHE E 184A -20.839 -87.694 8.786 1.00 19.89 C ATOM 1213 CD2 PHE E 184A -20.643 -87.625 11.175 1.00 20.12 C ATOM 1214 CE1 PHE E 184A -19.868 -86.697 8.672 1.00 20.73 C ATOM 1215 CE2 PHE E 184A -19.673 -86.631 11.071 1.00 18.22 C ATOM 1216 CZ PHE E 184A -19.282 -86.172 9.817 1.00 20.20 C ATOM 1217 N LEU E 185 -22.893 -92.520 10.917 1.00 17.39 N ATOM 1218 CA LEU E 185 -23.881 -93.583 10.806 1.00 18.69 C ATOM 1219 C LEU E 185 -25.282 -93.032 10.544 1.00 19.18 C ATOM 1220 O LEU E 185 -26.163 -93.746 10.072 1.00 19.21 O ATOM 1221 CB LEU E 185 -23.864 -94.439 12.075 1.00 20.08 C ATOM 1222 CG LEU E 185 -22.532 -95.158 12.332 1.00 21.14 C ATOM 1223 CD1 LEU E 185 -22.554 -95.835 13.693 1.00 21.85 C ATOM 1224 CD2 LEU E 185 -22.281 -96.178 11.231 1.00 21.01 C ATOM 1225 N GLU E 186 -25.479 -91.750 10.831 1.00 21.02 N ATOM 1226 CA GLU E 186 -26.769 -91.104 10.622 1.00 23.28 C ATOM 1227 C GLU E 186 -26.873 -90.506 9.218 1.00 23.23 C ATOM 1228 O GLU E 186 -27.874 -89.878 8.876 1.00 23.89 O ATOM 1229 CB GLU E 186 -26.965 -89.996 11.658 1.00 27.25 C ATOM 1230 CG GLU E 186 -26.037 -88.797 11.448 1.00 32.87 C ATOM 1231 CD GLU E 186 -24.887 -88.758 12.440 1.00 36.36 C ATOM 1232 OE1 GLU E 186 -24.455 -89.837 12.906 1.00 37.34 O ATOM 1233 OE2 GLU E 186 -24.416 -87.644 12.756 1.00 39.93 O ATOM 1234 N GLY E 187 -25.833 -90.698 8.411 1.00 22.55 N ATOM 1235 CA GLY E 187 -25.840 -90.161 7.063 1.00 20.62 C ATOM 1236 C GLY E 187 -25.823 -88.644 7.070 1.00 20.57 C ATOM 1237 O GLY E 187 -25.449 -88.032 8.066 1.00 20.96 O ATOM 1238 N GLY E 188 -26.228 -88.035 5.962 1.00 18.53 N ATOM 1239 CA GLY E 188 -26.249 -86.584 5.880 1.00 20.73 C ATOM 1240 C GLY E 188 -25.012 -85.996 5.223 1.00 21.48 C ATOM 1241 O GLY E 188 -25.110 -85.038 4.454 1.00 21.07 O ATOM 1242 N LYS E 188A -23.850 -86.574 5.529 1.00 22.02 N ATOM 1243 CA LYS E 188A -22.563 -86.129 4.983 1.00 22.56 C ATOM 1244 C LYS E 188A -21.771 -87.340 4.483 1.00 20.82 C ATOM 1245 O LYS E 188A -21.587 -88.310 5.222 1.00 21.38 O ATOM 1246 CB LYS E 188A -21.769 -85.397 6.063 1.00 24.28 C ATOM 1247 CG LYS E 188A -22.205 -83.959 6.255 1.00 29.96 C ATOM 1248 CD LYS E 188A -21.906 -83.472 7.664 1.00 34.66 C ATOM 1249 CE LYS E 188A -22.445 -82.065 7.881 1.00 37.71 C ATOM 1250 NZ LYS E 188A -22.963 -81.449 6.620 1.00 39.94 N ATOM 1251 N ASP E 189 -21.264 -87.263 3.254 1.00 17.42 N ATOM 1252 CA ASP E 189 -20.567 -88.404 2.662 1.00 15.72 C ATOM 1253 C ASP E 189 -19.879 -88.000 1.350 1.00 15.25 C ATOM 1254 O ASP E 189 -20.126 -86.917 0.810 1.00 15.70 O ATOM 1255 CB ASP E 189 -21.625 -89.479 2.366 1.00 14.03 C ATOM 1256 CG ASP E 189 -21.077 -90.898 2.351 1.00 12.80 C ATOM 1257 OD1 ASP E 189 -19.846 -91.103 2.330 1.00 13.58 O ATOM 1258 OD2 ASP E 189 -21.915 -91.827 2.358 1.00 12.98 O ATOM 1259 N SER E 190 -19.012 -88.877 0.848 1.00 13.82 N ATOM 1260 CA SER E 190 -18.339 -88.657 -0.425 1.00 13.08 C ATOM 1261 C SER E 190 -19.309 -89.302 -1.420 1.00 12.94 C ATOM 1262 O SER E 190 -20.125 -90.138 -1.019 1.00 12.42 O ATOM 1263 CB SER E 190 -16.992 -89.379 -0.447 1.00 12.09 C ATOM 1264 OG SER E 190 -17.119 -90.731 -0.032 1.00 12.04 O ATOM 1265 N CYS E 191 -19.244 -88.924 -2.696 1.00 11.91 N ATOM 1266 CA CYS E 191 -20.157 -89.481 -3.702 1.00 13.19 C ATOM 1267 C CYS E 191 -19.476 -89.612 -5.071 1.00 12.99 C ATOM 1268 O CYS E 191 -18.266 -89.403 -5.184 1.00 12.47 O ATOM 1269 CB CYS E 191 -21.398 -88.592 -3.818 1.00 14.21 C ATOM 1270 SG CYS E 191 -22.922 -89.421 -4.382 1.00 16.04 S ATOM 1271 N GLN E 192 -20.245 -89.948 -6.108 1.00 12.05 N ATOM 1272 CA GLN E 192 -19.670 -90.123 -7.441 1.00 10.90 C ATOM 1273 C GLN E 192 -18.856 -88.913 -7.907 1.00 10.34 C ATOM 1274 O GLN E 192 -19.306 -87.760 -7.830 1.00 12.05 O ATOM 1275 CB GLN E 192 -20.766 -90.474 -8.456 1.00 11.65 C ATOM 1276 CG GLN E 192 -21.149 -91.957 -8.423 1.00 11.38 C ATOM 1277 CD GLN E 192 -21.936 -92.321 -7.171 1.00 14.60 C ATOM 1278 OE1 GLN E 192 -22.863 -91.614 -6.784 1.00 17.47 O ATOM 1279 NE2 GLN E 192 -21.568 -93.424 -6.536 1.00 15.37 N ATOM 1280 N GLY E 193 -17.653 -89.209 -8.397 1.00 9.54 N ATOM 1281 CA GLY E 193 -16.725 -88.193 -8.848 1.00 7.33 C ATOM 1282 C GLY E 193 -15.567 -88.134 -7.856 1.00 6.18 C ATOM 1283 O GLY E 193 -14.450 -87.744 -8.204 1.00 6.92 O ATOM 1284 N ASN E 194 -15.842 -88.552 -6.620 1.00 7.76 N ATOM 1285 CA ASN E 194 -14.865 -88.539 -5.520 1.00 7.99 C ATOM 1286 C ASN E 194 -13.869 -89.711 -5.473 1.00 7.85 C ATOM 1287 O ASN E 194 -12.804 -89.593 -4.862 1.00 6.45 O ATOM 1288 CB ASN E 194 -15.590 -88.523 -4.166 1.00 7.55 C ATOM 1289 CG ASN E 194 -16.306 -87.217 -3.875 1.00 10.70 C ATOM 1290 OD1 ASN E 194 -16.931 -87.075 -2.820 1.00 13.60 O ATOM 1291 ND2 ASN E 194 -16.227 -86.260 -4.796 1.00 10.72 N ATOM 1292 N SER E 195 -14.227 -90.844 -6.085 1.00 7.86 N ATOM 1293 CA SER E 195 -13.383 -92.052 -6.070 1.00 7.28 C ATOM 1294 C SER E 195 -11.894 -91.787 -6.323 1.00 6.80 C ATOM 1295 O SER E 195 -11.525 -91.005 -7.199 1.00 7.18 O ATOM 1296 CB SER E 195 -13.860 -93.063 -7.118 1.00 6.62 C ATOM 1297 OG SER E 195 -14.805 -93.946 -6.585 1.00 6.68 O ATOM 1298 N GLY E 196 -11.043 -92.463 -5.557 1.00 5.58 N ATOM 1299 CA GLY E 196 -9.611 -92.316 -5.727 1.00 6.56 C ATOM 1300 C GLY E 196 -9.007 -91.168 -4.953 1.00 5.68 C ATOM 1301 O GLY E 196 -7.785 -91.111 -4.776 1.00 6.47 O ATOM 1302 N GLY E 197 -9.865 -90.263 -4.493 1.00 6.43 N ATOM 1303 CA GLY E 197 -9.408 -89.109 -3.742 1.00 6.98 C ATOM 1304 C GLY E 197 -8.894 -89.444 -2.348 1.00 7.35 C ATOM 1305 O GLY E 197 -9.066 -90.570 -1.869 1.00 7.10 O ATOM 1306 N PRO E 198 -8.270 -88.470 -1.667 1.00 7.17 N ATOM 1307 CA PRO E 198 -7.697 -88.585 -0.322 1.00 6.82 C ATOM 1308 C PRO E 198 -8.587 -88.454 0.912 1.00 6.71 C ATOM 1309 O PRO E 198 -9.581 -87.730 0.905 1.00 7.49 O ATOM 1310 CB PRO E 198 -6.637 -87.491 -0.319 1.00 6.25 C ATOM 1311 CG PRO E 198 -7.262 -86.414 -1.149 1.00 5.88 C ATOM 1312 CD PRO E 198 -8.023 -87.130 -2.242 1.00 6.27 C ATOM 1313 N VAL E 199 -8.204 -89.179 1.963 1.00 6.32 N ATOM 1314 CA VAL E 199 -8.830 -89.064 3.282 1.00 7.77 C ATOM 1315 C VAL E 199 -7.567 -88.831 4.094 1.00 7.97 C ATOM 1316 O VAL E 199 -6.778 -89.757 4.318 1.00 8.79 O ATOM 1317 CB VAL E 199 -9.515 -90.379 3.755 1.00 8.40 C ATOM 1318 CG1 VAL E 199 -9.995 -90.195 5.203 1.00 7.66 C ATOM 1319 CG2 VAL E 199 -10.701 -90.716 2.857 1.00 7.56 C ATOM 1320 N VAL E 200 -7.343 -87.580 4.466 1.00 8.98 N ATOM 1321 CA VAL E 200 -6.150 -87.191 5.224 1.00 8.76 C ATOM 1322 C VAL E 200 -6.449 -86.882 6.690 1.00 8.89 C ATOM 1323 O VAL E 200 -7.362 -86.113 7.009 1.00 7.77 O ATOM 1324 CB VAL E 200 -5.492 -85.960 4.564 1.00 7.76 C ATOM 1325 CG1 VAL E 200 -4.362 -85.406 5.427 1.00 10.07 C ATOM 1326 CG2 VAL E 200 -4.973 -86.346 3.178 1.00 9.45 C ATOM 1327 N CYS E 201 -5.707 -87.540 7.576 1.00 9.92 N ATOM 1328 CA CYS E 201 -5.884 -87.359 9.017 1.00 11.15 C ATOM 1329 C CYS E 201 -4.535 -87.080 9.668 1.00 13.13 C ATOM 1330 O CYS E 201 -3.620 -87.904 9.597 1.00 12.67 O ATOM 1331 CB CYS E 201 -6.490 -88.609 9.668 1.00 12.10 C ATOM 1332 SG CYS E 201 -7.567 -89.599 8.607 1.00 10.18 S ATOM 1333 N ASN E 202 -4.416 -85.909 10.290 1.00 15.48 N ATOM 1334 CA ASN E 202 -3.181 -85.485 10.950 1.00 16.90 C ATOM 1335 C ASN E 202 -2.028 -85.449 9.963 1.00 15.45 C ATOM 1336 O ASN E 202 -0.925 -85.896 10.264 1.00 16.83 O ATOM 1337 CB ASN E 202 -2.835 -86.423 12.106 1.00 21.09 C ATOM 1338 CG ASN E 202 -3.896 -86.423 13.199 1.00 25.88 C ATOM 1339 OD1 ASN E 202 -4.510 -85.395 13.494 1.00 27.54 O ATOM 1340 ND2 ASN E 202 -4.109 -87.583 13.810 1.00 27.67 N ATOM 1341 N GLY E 203 -2.298 -84.922 8.774 1.00 13.61 N ATOM 1342 CA GLY E 203 -1.269 -84.804 7.759 1.00 13.60 C ATOM 1343 C GLY E 203 -0.832 -86.063 7.037 1.00 12.00 C ATOM 1344 O GLY E 203 0.132 -86.026 6.266 1.00 14.92 O ATOM 1345 N GLU E 204 -1.526 -87.173 7.271 1.00 11.51 N ATOM 1346 CA GLU E 204 -1.181 -88.436 6.615 1.00 11.10 C ATOM 1347 C GLU E 204 -2.348 -89.008 5.824 1.00 9.65 C ATOM 1348 O GLU E 204 -3.497 -88.962 6.269 1.00 9.38 O ATOM 1349 CB GLU E 204 -0.741 -89.479 7.640 1.00 10.77 C ATOM 1350 CG GLU E 204 0.544 -89.137 8.355 1.00 14.61 C ATOM 1351 CD GLU E 204 0.965 -90.226 9.323 1.00 16.62 C ATOM 1352 OE1 GLU E 204 0.118 -91.068 9.695 1.00 20.87 O ATOM 1353 OE2 GLU E 204 2.149 -90.240 9.712 1.00 18.37 O ATOM 1354 N LEU E 209 -2.039 -89.554 4.650 1.00 8.89 N ATOM 1355 CA LEU E 209 -3.046 -90.159 3.792 1.00 8.49 C ATOM 1356 C LEU E 209 -3.444 -91.505 4.396 1.00 9.14 C ATOM 1357 O LEU E 209 -2.678 -92.465 4.330 1.00 11.74 O ATOM 1358 CB LEU E 209 -2.472 -90.368 2.391 1.00 8.11 C ATOM 1359 CG LEU E 209 -3.462 -90.944 1.383 1.00 8.43 C ATOM 1360 CD1 LEU E 209 -4.486 -89.877 1.035 1.00 6.46 C ATOM 1361 CD2 LEU E 209 -2.728 -91.413 0.139 1.00 10.06 C ATOM 1362 N GLN E 210 -4.638 -91.575 4.978 1.00 8.05 N ATOM 1363 CA GLN E 210 -5.097 -92.809 5.606 1.00 7.37 C ATOM 1364 C GLN E 210 -6.143 -93.575 4.803 1.00 7.45 C ATOM 1365 O GLN E 210 -6.373 -94.757 5.052 1.00 7.45 O ATOM 1366 CB GLN E 210 -5.649 -92.515 7.006 1.00 7.94 C ATOM 1367 CG GLN E 210 -4.612 -92.000 8.006 1.00 10.08 C ATOM 1368 CD GLN E 210 -3.756 -93.107 8.611 1.00 11.02 C ATOM 1369 OE1 GLN E 210 -4.071 -94.288 8.482 1.00 12.66 O ATOM 1370 NE2 GLN E 210 -2.672 -92.728 9.269 1.00 9.97 N ATOM 1371 N GLY E 211 -6.777 -92.912 3.842 1.00 5.56 N ATOM 1372 CA GLY E 211 -7.786 -93.591 3.052 1.00 6.77 C ATOM 1373 C GLY E 211 -7.923 -93.093 1.625 1.00 6.39 C ATOM 1374 O GLY E 211 -7.467 -92.004 1.288 1.00 6.64 O ATOM 1375 N ILE E 212 -8.532 -93.919 0.783 1.00 6.09 N ATOM 1376 CA ILE E 212 -8.782 -93.575 -0.608 1.00 5.54 C ATOM 1377 C ILE E 212 -10.270 -93.800 -0.805 1.00 5.35 C ATOM 1378 O ILE E 212 -10.783 -94.861 -0.454 1.00 5.60 O ATOM 1379 CB ILE E 212 -8.011 -94.498 -1.589 1.00 5.31 C ATOM 1380 CG1 ILE E 212 -6.501 -94.298 -1.434 1.00 7.92 C ATOM 1381 CG2 ILE E 212 -8.426 -94.189 -3.023 1.00 6.27 C ATOM 1382 CD1 ILE E 212 -5.680 -95.388 -2.091 1.00 10.76 C ATOM 1383 N VAL E 213 -10.966 -92.806 -1.351 1.00 5.50 N ATOM 1384 CA VAL E 213 -12.401 -92.932 -1.591 1.00 5.95 C ATOM 1385 C VAL E 213 -12.639 -94.150 -2.495 1.00 6.31 C ATOM 1386 O VAL E 213 -12.087 -94.235 -3.593 1.00 5.21 O ATOM 1387 CB VAL E 213 -12.962 -91.653 -2.264 1.00 6.05 C ATOM 1388 CG1 VAL E 213 -14.460 -91.780 -2.478 1.00 6.30 C ATOM 1389 CG2 VAL E 213 -12.658 -90.436 -1.393 1.00 5.78 C ATOM 1390 N SER E 214 -13.459 -95.092 -2.030 1.00 7.20 N ATOM 1391 CA SER E 214 -13.717 -96.307 -2.800 1.00 7.05 C ATOM 1392 C SER E 214 -15.188 -96.570 -3.138 1.00 8.02 C ATOM 1393 O SER E 214 -15.607 -96.399 -4.281 1.00 8.11 O ATOM 1394 CB SER E 214 -13.125 -97.513 -2.050 1.00 7.28 C ATOM 1395 OG SER E 214 -13.124 -98.696 -2.838 1.00 7.47 O ATOM 1396 N TRP E 215 -15.981 -96.964 -2.146 1.00 7.09 N ATOM 1397 CA TRP E 215 -17.384 -97.273 -2.397 1.00 8.78 C ATOM 1398 C TRP E 215 -18.338 -97.021 -1.234 1.00 9.28 C ATOM 1399 O TRP E 215 -17.942 -96.582 -0.158 1.00 8.80 O ATOM 1400 CB TRP E 215 -17.515 -98.741 -2.851 1.00 7.17 C ATOM 1401 CG TRP E 215 -17.068 -99.768 -1.822 1.00 7.02 C ATOM 1402 CD1 TRP E 215 -15.784-100.145 -1.540 1.00 6.41 C ATOM 1403 CD2 TRP E 215 -17.905-100.545 -0.961 1.00 8.01 C ATOM 1404 NE1 TRP E 215 -15.771-101.106 -0.563 1.00 6.96 N ATOM 1405 CE2 TRP E 215 -17.060-101.369 -0.185 1.00 9.55 C ATOM 1406 CE3 TRP E 215 -19.290-100.625 -0.768 1.00 8.41 C ATOM 1407 CZ2 TRP E 215 -17.556-102.268 0.771 1.00 9.31 C ATOM 1408 CZ3 TRP E 215 -19.783-101.517 0.188 1.00 8.06 C ATOM 1409 CH2 TRP E 215 -18.916-102.327 0.939 1.00 8.23 C ATOM 1410 N GLY E 216 -19.610 -97.312 -1.475 1.00 9.70 N ATOM 1411 CA GLY E 216 -20.634 -97.145 -0.463 1.00 9.84 C ATOM 1412 C GLY E 216 -21.976 -97.444 -1.096 1.00 11.40 C ATOM 1413 O GLY E 216 -22.087 -97.451 -2.321 1.00 11.76 O ATOM 1414 N TYR E 217 -22.987 -97.731 -0.287 1.00 10.76 N ATOM 1415 CA TYR E 217 -24.303 -97.980 -0.848 1.00 13.68 C ATOM 1416 C TYR E 217 -24.953 -96.609 -0.832 1.00 14.10 C ATOM 1417 O TYR E 217 -25.328 -96.092 0.221 1.00 15.55 O ATOM 1418 CB TYR E 217 -25.089 -98.977 0.005 1.00 14.88 C ATOM 1419 CG TYR E 217 -24.533-100.394 -0.010 1.00 15.55 C ATOM 1420 CD1 TYR E 217 -23.619-100.811 -0.987 1.00 13.43 C ATOM 1421 CD2 TYR E 217 -24.901-101.310 0.975 1.00 15.47 C ATOM 1422 CE1 TYR E 217 -23.088-102.103 -0.972 1.00 15.12 C ATOM 1423 CE2 TYR E 217 -24.376-102.599 0.996 1.00 14.66 C ATOM 1424 CZ TYR E 217 -23.471-102.989 0.026 1.00 14.76 C ATOM 1425 OH TYR E 217 -22.932-104.254 0.078 1.00 17.10 O ATOM 1426 N GLY E 219 -25.047 -96.011 -2.015 1.00 14.94 N ATOM 1427 CA GLY E 219 -25.608 -94.681 -2.131 1.00 15.90 C ATOM 1428 C GLY E 219 -24.608 -93.699 -1.552 1.00 14.59 C ATOM 1429 O GLY E 219 -23.424 -94.022 -1.409 1.00 14.87 O ATOM 1430 N CYS E 220 -25.082 -92.505 -1.220 1.00 13.01 N ATOM 1431 CA CYS E 220 -24.239 -91.475 -0.634 1.00 14.61 C ATOM 1432 C CYS E 220 -25.035 -90.770 0.458 1.00 15.12 C ATOM 1433 O CYS E 220 -26.176 -90.356 0.234 1.00 15.47 O ATOM 1434 CB CYS E 220 -23.817 -90.439 -1.685 1.00 13.30 C ATOM 1435 SG CYS E 220 -23.077 -91.081 -3.223 1.00 15.62 S ATOM 1436 N ALA E 221 -24.426 -90.638 1.632 1.00 14.62 N ATOM 1437 CA ALA E 221 -25.041 -89.958 2.770 1.00 15.11 C ATOM 1438 C ALA E 221 -26.310 -90.606 3.334 1.00 16.02 C ATOM 1439 O ALA E 221 -27.116 -89.936 3.984 1.00 16.70 O ATOM 1440 CB ALA E 221 -25.316 -88.501 2.406 1.00 16.27 C ATOM 1441 N LEU E 221A -26.478 -91.906 3.099 1.00 16.58 N ATOM 1442 CA LEU E 221A -27.638 -92.638 3.602 1.00 17.04 C ATOM 1443 C LEU E 221A -27.357 -93.113 5.020 1.00 18.28 C ATOM 1444 O LEU E 221A -26.252 -93.562 5.324 1.00 18.43 O ATOM 1445 CB LEU E 221A -27.925 -93.866 2.735 1.00 15.21 C ATOM 1446 CG LEU E 221A -28.260 -93.672 1.258 1.00 17.67 C ATOM 1447 CD1 LEU E 221A -28.785 -94.977 0.679 1.00 16.53 C ATOM 1448 CD2 LEU E 221A -29.291 -92.571 1.108 1.00 19.68 C ATOM 1449 N PRO E 222 -28.355 -93.025 5.911 1.00 19.38 N ATOM 1450 CA PRO E 222 -28.077 -93.490 7.271 1.00 19.68 C ATOM 1451 C PRO E 222 -27.775 -94.985 7.237 1.00 18.83 C ATOM 1452 O PRO E 222 -28.315 -95.715 6.397 1.00 19.29 O ATOM 1453 CB PRO E 222 -29.360 -93.164 8.037 1.00 21.29 C ATOM 1454 CG PRO E 222 -30.417 -93.059 6.987 1.00 21.38 C ATOM 1455 CD PRO E 222 -29.733 -92.532 5.757 1.00 21.03 C ATOM 1456 N ASP E 223 -26.906 -95.424 8.144 1.00 18.14 N ATOM 1457 CA ASP E 223 -26.478 -96.822 8.257 1.00 18.49 C ATOM 1458 C ASP E 223 -25.642 -97.331 7.087 1.00 16.54 C ATOM 1459 O ASP E 223 -25.449 -98.539 6.934 1.00 16.86 O ATOM 1460 CB ASP E 223 -27.668 -97.769 8.465 1.00 20.21 C ATOM 1461 CG ASP E 223 -27.241 -99.111 9.046 1.00 21.83 C ATOM 1462 OD1 ASP E 223 -26.510 -99.118 10.062 1.00 23.81 O ATOM 1463 OD2 ASP E 223 -27.626-100.157 8.483 1.00 21.38 O ATOM 1464 N ASN E 224 -25.146 -96.411 6.268 1.00 14.61 N ATOM 1465 CA ASN E 224 -24.305 -96.786 5.144 1.00 14.80 C ATOM 1466 C ASN E 224 -23.320 -95.657 4.837 1.00 14.40 C ATOM 1467 O ASN E 224 -23.463 -94.945 3.840 1.00 13.76 O ATOM 1468 CB ASN E 224 -25.156 -97.111 3.908 1.00 15.06 C ATOM 1469 CG ASN E 224 -25.692 -98.543 3.922 1.00 14.26 C ATOM 1470 OD1 ASN E 224 -24.937 -99.510 3.806 1.00 14.03 O ATOM 1471 ND2 ASN E 224 -27.003 -98.677 4.066 1.00 13.59 N ATOM 1472 N PRO E 225 -22.316 -95.468 5.718 1.00 13.93 N ATOM 1473 CA PRO E 225 -21.286 -94.432 5.555 1.00 12.18 C ATOM 1474 C PRO E 225 -20.318 -94.899 4.477 1.00 10.05 C ATOM 1475 O PRO E 225 -20.306 -96.082 4.130 1.00 11.68 O ATOM 1476 CB PRO E 225 -20.621 -94.371 6.924 1.00 11.65 C ATOM 1477 CG PRO E 225 -20.770 -95.757 7.446 1.00 11.82 C ATOM 1478 CD PRO E 225 -22.109 -96.246 6.953 1.00 12.66 C ATOM 1479 N GLY E 226 -19.504 -93.992 3.953 1.00 7.97 N ATOM 1480 CA GLY E 226 -18.572 -94.379 2.910 1.00 7.04 C ATOM 1481 C GLY E 226 -17.505 -95.370 3.356 1.00 7.81 C ATOM 1482 O GLY E 226 -17.063 -95.347 4.509 1.00 7.76 O ATOM 1483 N VAL E 227 -17.100 -96.248 2.438 1.00 8.03 N ATOM 1484 CA VAL E 227 -16.061 -97.239 2.703 1.00 7.80 C ATOM 1485 C VAL E 227 -14.825 -96.758 1.936 1.00 7.97 C ATOM 1486 O VAL E 227 -14.930 -96.288 0.798 1.00 8.12 O ATOM 1487 CB VAL E 227 -16.486 -98.650 2.228 1.00 6.63 C ATOM 1488 CG1 VAL E 227 -15.426 -99.672 2.617 1.00 7.49 C ATOM 1489 CG2 VAL E 227 -17.826 -99.020 2.857 1.00 7.87 C ATOM 1490 N TYR E 228 -13.660 -96.883 2.563 1.00 7.06 N ATOM 1491 CA TYR E 228 -12.406 -96.398 1.989 1.00 6.36 C ATOM 1492 C TYR E 228 -11.260 -97.402 2.067 1.00 7.15 C ATOM 1493 O TYR E 228 -11.194 -98.203 2.991 1.00 7.77 O ATOM 1494 CB TYR E 228 -11.989 -95.126 2.731 1.00 7.11 C ATOM 1495 CG TYR E 228 -13.010 -94.013 2.672 1.00 6.27 C ATOM 1496 CD1 TYR E 228 -14.182 -94.054 3.436 1.00 7.57 C ATOM 1497 CD2 TYR E 228 -12.818 -92.931 1.825 1.00 8.01 C ATOM 1498 CE1 TYR E 228 -15.142 -93.036 3.344 1.00 7.26 C ATOM 1499 CE2 TYR E 228 -13.759 -91.912 1.724 1.00 8.19 C ATOM 1500 CZ TYR E 228 -14.919 -91.970 2.480 1.00 8.48 C ATOM 1501 OH TYR E 228 -15.855 -90.969 2.349 1.00 9.75 O ATOM 1502 N THR E 229 -10.344 -97.351 1.104 1.00 6.59 N ATOM 1503 CA THR E 229 -9.208 -98.256 1.140 1.00 7.15 C ATOM 1504 C THR E 229 -8.316 -97.803 2.291 1.00 6.68 C ATOM 1505 O THR E 229 -7.996 -96.624 2.416 1.00 8.14 O ATOM 1506 CB THR E 229 -8.417 -98.220 -0.177 1.00 6.80 C ATOM 1507 OG1 THR E 229 -9.289 -98.571 -1.256 1.00 9.36 O ATOM 1508 CG2 THR E 229 -7.249 -99.195 -0.128 1.00 5.51 C ATOM 1509 N LYS E 230 -7.939 -98.749 3.141 1.00 7.21 N ATOM 1510 CA LYS E 230 -7.088 -98.479 4.299 1.00 8.05 C ATOM 1511 C LYS E 230 -5.629 -98.423 3.853 1.00 7.58 C ATOM 1512 O LYS E 230 -4.962 -99.456 3.767 1.00 8.28 O ATOM 1513 CB LYS E 230 -7.293 -99.590 5.326 1.00 9.36 C ATOM 1514 CG LYS E 230 -6.784 -99.282 6.704 1.00 11.17 C ATOM 1515 CD LYS E 230 -6.701-100.550 7.519 1.00 15.50 C ATOM 1516 CE LYS E 230 -7.261-100.346 8.902 1.00 21.75 C ATOM 1517 NZ LYS E 230 -7.467-101.648 9.585 1.00 26.17 N ATOM 1518 N VAL E 231 -5.140 -97.211 3.587 1.00 6.96 N ATOM 1519 CA VAL E 231 -3.782 -97.003 3.084 1.00 6.70 C ATOM 1520 C VAL E 231 -2.610 -97.512 3.926 1.00 8.06 C ATOM 1521 O VAL E 231 -1.581 -97.898 3.373 1.00 8.30 O ATOM 1522 CB VAL E 231 -3.566 -95.501 2.732 1.00 7.67 C ATOM 1523 CG1 VAL E 231 -2.158 -95.262 2.190 1.00 8.26 C ATOM 1524 CG2 VAL E 231 -4.590 -95.077 1.672 1.00 8.08 C ATOM 1525 N CYS E 232 -2.756 -97.542 5.247 1.00 8.24 N ATOM 1526 CA CYS E 232 -1.665 -98.013 6.102 1.00 8.72 C ATOM 1527 C CYS E 232 -1.263 -99.474 5.851 1.00 10.22 C ATOM 1528 O CYS E 232 -0.164 -99.889 6.217 1.00 13.27 O ATOM 1529 CB CYS E 232 -2.031 -97.822 7.572 1.00 7.51 C ATOM 1530 SG CYS E 232 -3.492 -98.749 8.139 1.00 10.60 S ATOM 1531 N ASN E 233 -2.145-100.253 5.229 1.00 8.50 N ATOM 1532 CA ASN E 233 -1.850-101.657 4.928 1.00 8.92 C ATOM 1533 C ASN E 233 -1.010-101.782 3.652 1.00 10.50 C ATOM 1534 O ASN E 233 -0.539-102.868 3.321 1.00 12.27 O ATOM 1535 CB ASN E 233 -3.147-102.450 4.723 1.00 8.64 C ATOM 1536 CG ASN E 233 -3.845-102.807 6.023 1.00 11.47 C ATOM 1537 OD1 ASN E 233 -3.345-102.537 7.115 1.00 12.32 O ATOM 1538 ND2 ASN E 233 -5.017-103.420 5.907 1.00 10.79 N ATOM 1539 N TYR E 234 -0.810-100.672 2.948 1.00 9.98 N ATOM 1540 CA TYR E 234 -0.073-100.695 1.684 1.00 9.80 C ATOM 1541 C TYR E 234 1.193 -99.860 1.568 1.00 9.66 C ATOM 1542 O TYR E 234 1.739 -99.726 0.475 1.00 11.87 O ATOM 1543 CB TYR E 234 -1.010-100.276 0.547 1.00 10.25 C ATOM 1544 CG TYR E 234 -2.257-101.116 0.453 1.00 9.50 C ATOM 1545 CD1 TYR E 234 -2.257-102.309 -0.265 1.00 10.17 C ATOM 1546 CD2 TYR E 234 -3.426-100.739 1.108 1.00 9.99 C ATOM 1547 CE1 TYR E 234 -3.388-103.111 -0.327 1.00 10.37 C ATOM 1548 CE2 TYR E 234 -4.572-101.537 1.053 1.00 9.39 C ATOM 1549 CZ TYR E 234 -4.540-102.723 0.334 1.00 8.72 C ATOM 1550 OH TYR E 234 -5.654-103.524 0.298 1.00 9.54 O ATOM 1551 N VAL E 235 1.677 -99.301 2.666 1.00 10.00 N ATOM 1552 CA VAL E 235 2.859 -98.462 2.566 1.00 10.82 C ATOM 1553 C VAL E 235 4.065 -99.158 1.943 1.00 10.03 C ATOM 1554 O VAL E 235 4.724 -98.592 1.078 1.00 10.74 O ATOM 1555 CB VAL E 235 3.227 -97.857 3.937 1.00 9.82 C ATOM 1556 CG1 VAL E 235 4.478 -96.994 3.810 1.00 11.09 C ATOM 1557 CG2 VAL E 235 2.068 -97.008 4.440 1.00 10.16 C ATOM 1558 N ASP E 236 4.337-100.394 2.348 1.00 11.32 N ATOM 1559 CA ASP E 236 5.471-101.124 1.793 1.00 11.52 C ATOM 1560 C ASP E 236 5.281-101.455 0.317 1.00 11.39 C ATOM 1561 O ASP E 236 6.225-101.363 -0.468 1.00 12.68 O ATOM 1562 CB ASP E 236 5.721-102.397 2.601 1.00 13.29 C ATOM 1563 CG ASP E 236 6.229-102.095 3.998 1.00 13.52 C ATOM 1564 OD1 ASP E 236 7.153-101.265 4.119 1.00 15.30 O ATOM 1565 OD2 ASP E 236 5.699-102.677 4.964 1.00 18.24 O ATOM 1566 N TRP E 237 4.066-101.831 -0.069 1.00 10.96 N ATOM 1567 CA TRP E 237 3.810-102.134 -1.469 1.00 11.06 C ATOM 1568 C TRP E 237 4.028-100.860 -2.283 1.00 9.99 C ATOM 1569 O TRP E 237 4.637-100.897 -3.348 1.00 9.42 O ATOM 1570 CB TRP E 237 2.380-102.653 -1.680 1.00 10.85 C ATOM 1571 CG TRP E 237 2.015-102.820 -3.143 1.00 12.14 C ATOM 1572 CD1 TRP E 237 2.421-103.820 -3.982 1.00 10.64 C ATOM 1573 CD2 TRP E 237 1.222-101.926 -3.944 1.00 12.13 C ATOM 1574 NE1 TRP E 237 1.933-103.607 -5.251 1.00 10.73 N ATOM 1575 CE2 TRP E 237 1.194-102.453 -5.255 1.00 11.81 C ATOM 1576 CE3 TRP E 237 0.533-100.735 -3.677 1.00 12.00 C ATOM 1577 CZ2 TRP E 237 0.501-101.826 -6.303 1.00 11.55 C ATOM 1578 CZ3 TRP E 237 -0.154-100.113 -4.718 1.00 11.57 C ATOM 1579 CH2 TRP E 237 -0.161-100.660 -6.014 1.00 11.74 C ATOM 1580 N ILE E 238 3.547 -99.729 -1.777 1.00 9.60 N ATOM 1581 CA ILE E 238 3.714 -98.469 -2.497 1.00 10.61 C ATOM 1582 C ILE E 238 5.196 -98.140 -2.675 1.00 11.91 C ATOM 1583 O ILE E 238 5.649 -97.899 -3.799 1.00 11.09 O ATOM 1584 CB ILE E 238 2.999 -97.286 -1.773 1.00 10.75 C ATOM 1585 CG1 ILE E 238 1.477 -97.437 -1.897 1.00 10.09 C ATOM 1586 CG2 ILE E 238 3.410 -95.955 -2.398 1.00 10.48 C ATOM 1587 CD1 ILE E 238 0.688 -96.538 -0.972 1.00 10.25 C ATOM 1588 N GLN E 239 5.950 -98.145 -1.575 1.00 12.07 N ATOM 1589 CA GLN E 239 7.379 -97.841 -1.627 1.00 14.16 C ATOM 1590 C GLN E 239 8.164 -98.829 -2.495 1.00 14.06 C ATOM 1591 O GLN E 239 9.044 -98.433 -3.263 1.00 15.07 O ATOM 1592 CB GLN E 239 7.962 -97.822 -0.213 1.00 17.01 C ATOM 1593 CG GLN E 239 7.463 -96.660 0.651 1.00 20.85 C ATOM 1594 CD GLN E 239 7.965 -96.730 2.090 1.00 25.06 C ATOM 1595 OE1 GLN E 239 8.345 -97.797 2.580 1.00 27.48 O ATOM 1596 NE2 GLN E 239 7.966 -95.588 2.772 1.00 26.22 N ATOM 1597 N ASP E 240 7.848-100.113 -2.382 1.00 14.38 N ATOM 1598 CA ASP E 240 8.542-101.117 -3.175 1.00 15.67 C ATOM 1599 C ASP E 240 8.245-100.911 -4.658 1.00 15.64 C ATOM 1600 O ASP E 240 9.130-101.040 -5.499 1.00 14.99 O ATOM 1601 CB ASP E 240 8.129-102.532 -2.731 1.00 17.59 C ATOM 1602 CG ASP E 240 8.685-102.903 -1.353 1.00 20.93 C ATOM 1603 OD1 ASP E 240 9.641-102.238 -0.890 1.00 21.75 O ATOM 1604 OD2 ASP E 240 8.167-103.854 -0.728 1.00 21.63 O ATOM 1605 N THR E 241 7.002-100.567 -4.977 1.00 14.65 N ATOM 1606 CA THR E 241 6.609-100.363 -6.367 1.00 15.02 C ATOM 1607 C THR E 241 7.246 -99.126 -7.004 1.00 15.23 C ATOM 1608 O THR E 241 7.653 -99.163 -8.164 1.00 15.94 O ATOM 1609 CB THR E 241 5.084-100.277 -6.488 1.00 14.75 C ATOM 1610 OG1 THR E 241 4.507-101.513 -6.044 1.00 15.24 O ATOM 1611 CG2 THR E 241 4.674-100.022 -7.930 1.00 16.11 C ATOM 1612 N ILE E 242 7.336 -98.036 -6.245 1.00 15.80 N ATOM 1613 CA ILE E 242 7.939 -96.800 -6.738 1.00 17.82 C ATOM 1614 C ILE E 242 9.430 -96.988 -7.002 1.00 19.27 C ATOM 1615 O ILE E 242 9.964 -96.493 -7.993 1.00 20.49 O ATOM 1616 CB ILE E 242 7.791 -95.649 -5.720 1.00 17.59 C ATOM 1617 CG1 ILE E 242 6.347 -95.140 -5.700 1.00 18.21 C ATOM 1618 CG2 ILE E 242 8.739 -94.515 -6.082 1.00 17.60 C ATOM 1619 CD1 ILE E 242 6.064 -94.151 -4.575 1.00 19.79 C ATOM 1620 N ALA E 243 10.091 -97.705 -6.099 1.00 21.21 N ATOM 1621 CA ALA E 243 11.527 -97.960 -6.196 1.00 23.88 C ATOM 1622 C ALA E 243 11.895 -98.841 -7.387 1.00 24.54 C ATOM 1623 O ALA E 243 12.956 -98.667 -7.997 1.00 26.26 O ATOM 1624 CB ALA E 243 12.022 -98.610 -4.905 1.00 24.39 C ATOM 1625 N ALA E 244 11.013 -99.784 -7.707 1.00 22.55 N ATOM 1626 CA ALA E 244 11.226-100.720 -8.801 1.00 22.65 C ATOM 1627 C ALA E 244 10.756-100.191 -10.149 1.00 22.81 C ATOM 1628 O ALA E 244 10.939-100.848 -11.175 1.00 23.17 O ATOM 1629 CB ALA E 244 10.515-102.023 -8.493 1.00 23.05 C ATOM 1630 N ASN E 245 10.151 -99.010 -10.152 1.00 22.31 N ATOM 1631 CA ASN E 245 9.643 -98.440 -11.389 1.00 23.19 C ATOM 1632 C ASN E 245 10.081 -97.000 -11.612 1.00 24.07 C ATOM 1633 O ASN E 245 9.578 -96.391 -12.580 1.00 25.28 O ATOM 1634 CB ASN E 245 8.117 -98.522 -11.398 1.00 22.53 C ATOM 1635 CG ASN E 245 7.613 -99.939 -11.558 1.00 22.76 C ATOM 1636 OD1 ASN E 245 7.463-100.427 -12.676 1.00 24.09 O ATOM 1637 ND2 ASN E 245 7.348-100.608 -10.441 1.00 21.42 N ATOM 1638 OXT ASN E 245 10.916 -96.498 -10.829 1.00 28.15 O TER 1639 ASN E 245 ATOM 1640 N ARG I 1 -38.029-107.156 -26.666 1.00 13.74 N ATOM 1641 CA ARG I 1 -36.566-107.027 -26.401 1.00 15.78 C ATOM 1642 C ARG I 1 -36.208-107.690 -25.068 1.00 17.19 C ATOM 1643 O ARG I 1 -37.096-108.052 -24.290 1.00 17.67 O ATOM 1644 CB ARG I 1 -36.178-105.546 -26.372 1.00 16.86 C ATOM 1645 CG ARG I 1 -36.465-104.857 -25.038 1.00 18.64 C ATOM 1646 CD ARG I 1 -36.476-103.351 -25.180 1.00 19.63 C ATOM 1647 NE ARG I 1 -37.694-102.871 -25.825 1.00 21.64 N ATOM 1648 CZ ARG I 1 -37.743-102.373 -27.055 1.00 22.38 C ATOM 1649 NH1 ARG I 1 -36.635-102.270 -27.774 1.00 23.42 N ATOM 1650 NH2 ARG I 1 -38.902-101.971 -27.563 1.00 24.06 N ATOM 1651 N PRO I 2 -34.902-107.866 -24.794 1.00 17.56 N ATOM 1652 CA PRO I 2 -34.444-108.490 -23.545 1.00 18.17 C ATOM 1653 C PRO I 2 -34.885-107.755 -22.276 1.00 17.25 C ATOM 1654 O PRO I 2 -34.992-106.525 -22.257 1.00 17.29 O ATOM 1655 CB PRO I 2 -32.922-108.520 -23.694 1.00 16.98 C ATOM 1656 CG PRO I 2 -32.684-108.425 -25.169 1.00 18.37 C ATOM 1657 CD PRO I 2 -33.764-107.508 -25.660 1.00 17.21 C ATOM 1658 N ASP I 3 -35.125-108.515 -21.210 1.00 17.37 N ATOM 1659 CA ASP I 3 -35.583-107.934 -19.955 1.00 18.98 C ATOM 1660 C ASP I 3 -34.649-106.901 -19.320 1.00 17.98 C ATOM 1661 O ASP I 3 -35.121-105.914 -18.758 1.00 18.55 O ATOM 1662 CB ASP I 3 -35.912-109.042 -18.936 1.00 21.27 C ATOM 1663 CG ASP I 3 -34.704-109.897 -18.566 1.00 24.62 C ATOM 1664 OD1 ASP I 3 -33.615-109.717 -19.153 1.00 24.56 O ATOM 1665 OD2 ASP I 3 -34.854-110.760 -17.672 1.00 30.36 O ATOM 1666 N PHE I 4 -33.338-107.103 -19.416 1.00 17.59 N ATOM 1667 CA PHE I 4 -32.409-106.158 -18.800 1.00 18.14 C ATOM 1668 C PHE I 4 -32.442-104.761 -19.420 1.00 18.76 C ATOM 1669 O PHE I 4 -31.954-103.801 -18.824 1.00 18.91 O ATOM 1670 CB PHE I 4 -30.979-106.724 -18.814 1.00 17.08 C ATOM 1671 CG PHE I 4 -30.379-106.858 -20.186 1.00 16.38 C ATOM 1672 CD1 PHE I 4 -29.866-105.746 -20.848 1.00 16.17 C ATOM 1673 CD2 PHE I 4 -30.321-108.097 -20.814 1.00 15.59 C ATOM 1674 CE1 PHE I 4 -29.305-105.864 -22.111 1.00 16.18 C ATOM 1675 CE2 PHE I 4 -29.759-108.224 -22.082 1.00 15.40 C ATOM 1676 CZ PHE I 4 -29.252-107.105 -22.731 1.00 15.25 C ATOM 1677 N CYS I 5 -33.033-104.653 -20.609 1.00 19.14 N ATOM 1678 CA CYS I 5 -33.143-103.379 -21.320 1.00 19.19 C ATOM 1679 C CYS I 5 -34.213-102.491 -20.704 1.00 19.23 C ATOM 1680 O CYS I 5 -34.231-101.278 -20.916 1.00 19.46 O ATOM 1681 CB CYS I 5 -33.508-103.621 -22.784 1.00 18.91 C ATOM 1682 SG CYS I 5 -32.245-104.512 -23.729 1.00 19.91 S ATOM 1683 N LEU I 6 -35.110-103.109 -19.948 1.00 19.66 N ATOM 1684 CA LEU I 6 -36.203-102.388 -19.318 1.00 21.05 C ATOM 1685 C LEU I 6 -35.882-101.980 -17.885 1.00 22.44 C ATOM 1686 O LEU I 6 -36.653-101.256 -17.252 1.00 23.40 O ATOM 1687 CB LEU I 6 -37.471-103.249 -19.353 1.00 22.03 C ATOM 1688 CG LEU I 6 -37.834-103.799 -20.738 1.00 22.80 C ATOM 1689 CD1 LEU I 6 -39.037-104.718 -20.644 1.00 24.35 C ATOM 1690 CD2 LEU I 6 -38.125-102.640 -21.671 1.00 24.59 C ATOM 1691 N GLU I 7 -34.740-102.435 -17.378 1.00 23.12 N ATOM 1692 CA GLU I 7 -34.338-102.108 -16.015 1.00 23.50 C ATOM 1693 C GLU I 7 -33.749-100.702 -15.956 1.00 22.10 C ATOM 1694 O GLU I 7 -33.105-100.247 -16.903 1.00 21.40 O ATOM 1695 CB GLU I 7 -33.305-103.120 -15.502 1.00 26.78 C ATOM 1696 CG GLU I 7 -33.885-104.473 -15.082 1.00 32.57 C ATOM 1697 CD GLU I 7 -34.862-104.370 -13.919 1.00 35.44 C ATOM 1698 OE1 GLU I 7 -34.407-104.328 -12.755 1.00 38.85 O ATOM 1699 OE2 GLU I 7 -36.086-104.336 -14.169 1.00 36.57 O ATOM 1700 N PRO I 8 -33.981 -99.985 -14.847 1.00 21.81 N ATOM 1701 CA PRO I 8 -33.427 -98.631 -14.748 1.00 21.14 C ATOM 1702 C PRO I 8 -31.902 -98.685 -14.689 1.00 19.74 C ATOM 1703 O PRO I 8 -31.323 -99.692 -14.286 1.00 18.62 O ATOM 1704 CB PRO I 8 -34.038 -98.074 -13.463 1.00 21.15 C ATOM 1705 CG PRO I 8 -34.470 -99.263 -12.683 1.00 21.50 C ATOM 1706 CD PRO I 8 -34.756-100.370 -13.655 1.00 22.43 C ATOM 1707 N PRO I 9 -31.232 -97.600 -15.099 1.00 19.58 N ATOM 1708 CA PRO I 9 -29.766 -97.586 -15.070 1.00 18.99 C ATOM 1709 C PRO I 9 -29.268 -97.793 -13.643 1.00 17.33 C ATOM 1710 O PRO I 9 -29.901 -97.333 -12.695 1.00 18.93 O ATOM 1711 CB PRO I 9 -29.407 -96.211 -15.629 1.00 19.88 C ATOM 1712 CG PRO I 9 -30.629 -95.384 -15.419 1.00 21.36 C ATOM 1713 CD PRO I 9 -31.786 -96.323 -15.576 1.00 19.87 C ATOM 1714 N TYR I 10 -28.140 -98.482 -13.504 1.00 16.09 N ATOM 1715 CA TYR I 10 -27.555 -98.794 -12.201 1.00 14.78 C ATOM 1716 C TYR I 10 -26.166 -98.156 -12.028 1.00 13.12 C ATOM 1717 O TYR I 10 -25.199 -98.562 -12.670 1.00 12.52 O ATOM 1718 CB TYR I 10 -27.471-100.323 -12.058 1.00 14.46 C ATOM 1719 CG TYR I 10 -26.927-100.846 -10.738 1.00 15.79 C ATOM 1720 CD1 TYR I 10 -27.716-100.859 -9.588 1.00 18.03 C ATOM 1721 CD2 TYR I 10 -25.633-101.371 -10.653 1.00 16.53 C ATOM 1722 CE1 TYR I 10 -27.234-101.383 -8.386 1.00 19.45 C ATOM 1723 CE2 TYR I 10 -25.140-101.897 -9.457 1.00 17.59 C ATOM 1724 CZ TYR I 10 -25.947-101.901 -8.328 1.00 20.81 C ATOM 1725 OH TYR I 10 -25.481-102.429 -7.143 1.00 22.72 O ATOM 1726 N THR I 11 -26.082 -97.161 -11.148 1.00 13.04 N ATOM 1727 CA THR I 11 -24.827 -96.458 -10.878 1.00 11.70 C ATOM 1728 C THR I 11 -23.821 -97.375 -10.172 1.00 11.05 C ATOM 1729 O THR I 11 -22.629 -97.352 -10.473 1.00 10.37 O ATOM 1730 CB THR I 11 -25.092 -95.178 -10.024 1.00 12.85 C ATOM 1731 OG1 THR I 11 -25.710 -94.180 -10.846 1.00 16.24 O ATOM 1732 CG2 THR I 11 -23.800 -94.609 -9.463 1.00 11.50 C ATOM 1733 N GLY I 12 -24.305 -98.196 -9.247 1.00 9.72 N ATOM 1734 CA GLY I 12 -23.413 -99.097 -8.535 1.00 10.59 C ATOM 1735 C GLY I 12 -22.859 -98.436 -7.285 1.00 10.93 C ATOM 1736 O GLY I 12 -23.048 -97.233 -7.098 1.00 11.59 O ATOM 1737 N PRO I 13 -22.134 -99.177 -6.430 1.00 11.10 N ATOM 1738 CA PRO I 13 -21.584 -98.600 -5.196 1.00 10.83 C ATOM 1739 C PRO I 13 -20.297 -97.788 -5.308 1.00 8.53 C ATOM 1740 O PRO I 13 -19.969 -97.030 -4.404 1.00 9.36 O ATOM 1741 CB PRO I 13 -21.393 -99.810 -4.297 1.00 10.94 C ATOM 1742 CG PRO I 13 -21.034-100.899 -5.257 1.00 12.47 C ATOM 1743 CD PRO I 13 -21.775-100.602 -6.565 1.00 12.03 C ATOM 1744 N CYS I 14 -19.564 -97.942 -6.402 1.00 8.47 N ATOM 1745 CA CYS I 14 -18.314 -97.210 -6.538 1.00 7.81 C ATOM 1746 C CYS I 14 -18.569 -95.734 -6.805 1.00 8.41 C ATOM 1747 O CYS I 14 -19.631 -95.350 -7.298 1.00 6.62 O ATOM 1748 CB CYS I 14 -17.441 -97.854 -7.613 1.00 8.46 C ATOM 1749 SG CYS I 14 -16.715 -99.422 -7.021 1.00 10.25 S ATOM 1750 N LYS I 15 -17.594 -94.897 -6.474 1.00 8.10 N ATOM 1751 CA LYS I 15 -17.791 -93.465 -6.613 1.00 7.56 C ATOM 1752 C LYS I 15 -17.039 -92.708 -7.699 1.00 8.33 C ATOM 1753 O LYS I 15 -16.648 -91.550 -7.513 1.00 8.48 O ATOM 1754 CB LYS I 15 -17.577 -92.816 -5.243 1.00 7.45 C ATOM 1755 CG LYS I 15 -18.644 -93.268 -4.249 1.00 7.68 C ATOM 1756 CD LYS I 15 -18.296 -92.930 -2.811 1.00 8.18 C ATOM 1757 CE LYS I 15 -19.388 -93.428 -1.869 1.00 8.09 C ATOM 1758 NZ LYS I 15 -19.172 -92.928 -0.489 1.00 9.78 N ATOM 1759 N ALA I 16 -16.848 -93.355 -8.843 1.00 7.10 N ATOM 1760 CA ALA I 16 -16.198 -92.702 -9.970 1.00 7.98 C ATOM 1761 C ALA I 16 -17.345 -92.021 -10.704 1.00 7.48 C ATOM 1762 O ALA I 16 -18.510 -92.221 -10.361 1.00 6.82 O ATOM 1763 CB ALA I 16 -15.528 -93.727 -10.872 1.00 8.05 C ATOM 1764 N ARG I 17 -17.021 -91.213 -11.702 1.00 7.15 N ATOM 1765 CA ARG I 17 -18.047 -90.534 -12.466 1.00 7.98 C ATOM 1766 C ARG I 17 -17.737 -90.838 -13.933 1.00 8.78 C ATOM 1767 O ARG I 17 -17.000 -90.112 -14.600 1.00 8.97 O ATOM 1768 CB ARG I 17 -17.993 -89.041 -12.150 1.00 9.98 C ATOM 1769 CG ARG I 17 -19.034 -88.214 -12.847 1.00 12.58 C ATOM 1770 CD ARG I 17 -18.353 -87.464 -13.952 1.00 19.60 C ATOM 1771 NE ARG I 17 -19.141 -86.346 -14.435 1.00 25.41 N ATOM 1772 CZ ARG I 17 -18.610 -85.209 -14.867 1.00 28.38 C ATOM 1773 NH1 ARG I 17 -17.292 -85.055 -14.873 1.00 28.21 N ATOM 1774 NH2 ARG I 17 -19.390 -84.231 -15.305 1.00 32.49 N ATOM 1775 N ILE I 18 -18.290 -91.953 -14.402 1.00 8.60 N ATOM 1776 CA ILE I 18 -18.085 -92.440 -15.761 1.00 8.44 C ATOM 1777 C ILE I 18 -19.413 -92.416 -16.523 1.00 10.12 C ATOM 1778 O ILE I 18 -20.392 -93.028 -16.097 1.00 10.50 O ATOM 1779 CB ILE I 18 -17.511 -93.885 -15.706 1.00 9.58 C ATOM 1780 CG1 ILE I 18 -16.141 -93.858 -15.026 1.00 10.36 C ATOM 1781 CG2 ILE I 18 -17.393 -94.483 -17.097 1.00 8.69 C ATOM 1782 CD1 ILE I 18 -15.724 -95.181 -14.425 1.00 13.25 C ATOM 1783 N ILE I 19 -19.450 -91.703 -17.647 1.00 10.46 N ATOM 1784 CA ILE I 19 -20.674 -91.603 -18.439 1.00 12.51 C ATOM 1785 C ILE I 19 -20.885 -92.809 -19.346 1.00 11.45 C ATOM 1786 O ILE I 19 -20.042 -93.134 -20.189 1.00 12.43 O ATOM 1787 CB ILE I 19 -20.692 -90.330 -19.320 1.00 13.90 C ATOM 1788 CG1 ILE I 19 -20.236 -89.111 -18.505 1.00 15.47 C ATOM 1789 CG2 ILE I 19 -22.101 -90.109 -19.877 1.00 14.70 C ATOM 1790 CD1 ILE I 19 -21.128 -88.772 -17.332 1.00 15.64 C ATOM 1791 N ARG I 20 -22.024 -93.464 -19.165 1.00 10.44 N ATOM 1792 CA ARG I 20 -22.368 -94.638 -19.955 1.00 11.66 C ATOM 1793 C ARG I 20 -23.764 -94.460 -20.531 1.00 12.32 C ATOM 1794 O ARG I 20 -24.486 -93.536 -20.150 1.00 12.12 O ATOM 1795 CB ARG I 20 -22.340 -95.890 -19.071 1.00 10.66 C ATOM 1796 CG ARG I 20 -20.954 -96.286 -18.599 1.00 11.36 C ATOM 1797 CD ARG I 20 -20.137 -96.892 -19.731 1.00 10.82 C ATOM 1798 NE ARG I 20 -18.762 -97.156 -19.318 1.00 12.68 N ATOM 1799 CZ ARG I 20 -18.374 -98.238 -18.647 1.00 15.07 C ATOM 1800 NH1 ARG I 20 -19.259 -99.173 -18.306 1.00 14.76 N ATOM 1801 NH2 ARG I 20 -17.096 -98.385 -18.311 1.00 15.96 N ATOM 1802 N TYR I 21 -24.145 -95.346 -21.445 1.00 13.72 N ATOM 1803 CA TYR I 21 -25.474 -95.279 -22.036 1.00 14.79 C ATOM 1804 C TYR I 21 -26.324 -96.423 -21.512 1.00 15.02 C ATOM 1805 O TYR I 21 -25.810 -97.492 -21.183 1.00 14.89 O ATOM 1806 CB TYR I 21 -25.408 -95.394 -23.561 1.00 16.53 C ATOM 1807 CG TYR I 21 -24.682 -94.265 -24.230 1.00 19.91 C ATOM 1808 CD1 TYR I 21 -23.298 -94.296 -24.361 1.00 22.23 C ATOM 1809 CD2 TYR I 21 -25.371 -93.153 -24.713 1.00 20.54 C ATOM 1810 CE1 TYR I 21 -22.611 -93.247 -24.954 1.00 24.53 C ATOM 1811 CE2 TYR I 21 -24.692 -92.096 -25.310 1.00 23.25 C ATOM 1812 CZ TYR I 21 -23.313 -92.151 -25.424 1.00 24.77 C ATOM 1813 OH TYR I 21 -22.628 -91.110 -26.003 1.00 28.71 O ATOM 1814 N PHE I 22 -27.628 -96.180 -21.433 1.00 15.91 N ATOM 1815 CA PHE I 22 -28.588 -97.181 -20.999 1.00 17.45 C ATOM 1816 C PHE I 22 -29.820 -96.997 -21.878 1.00 18.88 C ATOM 1817 O PHE I 22 -30.076 -95.893 -22.352 1.00 19.70 O ATOM 1818 CB PHE I 22 -28.953 -96.993 -19.522 1.00 17.19 C ATOM 1819 CG PHE I 22 -29.928 -95.873 -19.259 1.00 18.51 C ATOM 1820 CD1 PHE I 22 -29.504 -94.549 -19.282 1.00 19.39 C ATOM 1821 CD2 PHE I 22 -31.261 -96.144 -18.944 1.00 20.99 C ATOM 1822 CE1 PHE I 22 -30.387 -93.507 -18.989 1.00 21.63 C ATOM 1823 CE2 PHE I 22 -32.151 -95.106 -18.650 1.00 20.90 C ATOM 1824 CZ PHE I 22 -31.710 -93.786 -18.673 1.00 19.99 C ATOM 1825 N TYR I 23 -30.566 -98.069 -22.120 1.00 19.87 N ATOM 1826 CA TYR I 23 -31.770 -97.957 -22.938 1.00 21.65 C ATOM 1827 C TYR I 23 -32.907 -97.469 -22.056 1.00 22.41 C ATOM 1828 O TYR I 23 -33.178 -98.050 -21.004 1.00 21.39 O ATOM 1829 CB TYR I 23 -32.153 -99.304 -23.555 1.00 21.79 C ATOM 1830 CG TYR I 23 -33.415 -99.241 -24.404 1.00 23.57 C ATOM 1831 CD1 TYR I 23 -33.376 -98.739 -25.705 1.00 23.36 C ATOM 1832 CD2 TYR I 23 -34.644 -99.673 -23.900 1.00 24.15 C ATOM 1833 CE1 TYR I 23 -34.532 -98.666 -26.485 1.00 25.43 C ATOM 1834 CE2 TYR I 23 -35.805 -99.605 -24.672 1.00 25.44 C ATOM 1835 CZ TYR I 23 -35.741 -99.101 -25.964 1.00 25.61 C ATOM 1836 OH TYR I 23 -36.882 -99.033 -26.733 1.00 27.73 O ATOM 1837 N ASN I 24 -33.563 -96.394 -22.479 1.00 25.04 N ATOM 1838 CA ASN I 24 -34.680 -95.843 -21.718 1.00 28.30 C ATOM 1839 C ASN I 24 -35.983 -96.283 -22.374 1.00 30.80 C ATOM 1840 O ASN I 24 -36.372 -95.753 -23.417 1.00 30.59 O ATOM 1841 CB ASN I 24 -34.602 -94.316 -21.682 1.00 27.71 C ATOM 1842 CG ASN I 24 -35.734 -93.694 -20.887 1.00 29.13 C ATOM 1843 OD1 ASN I 24 -36.531 -94.392 -20.262 1.00 28.76 O ATOM 1844 ND2 ASN I 24 -35.808 -92.370 -20.906 1.00 31.60 N ATOM 1845 N ALA I 25 -36.644 -97.258 -21.755 1.00 34.38 N ATOM 1846 CA ALA I 25 -37.897 -97.813 -22.265 1.00 38.27 C ATOM 1847 C ALA I 25 -38.974 -96.763 -22.538 1.00 40.21 C ATOM 1848 O ALA I 25 -39.637 -96.804 -23.577 1.00 42.11 O ATOM 1849 CB ALA I 25 -38.431 -98.863 -21.294 1.00 39.49 C ATOM 1850 N LYS I 26 -39.150 -95.829 -21.607 1.00 40.87 N ATOM 1851 CA LYS I 26 -40.156 -94.783 -21.758 1.00 41.05 C ATOM 1852 C LYS I 26 -39.835 -93.847 -22.920 1.00 40.73 C ATOM 1853 O LYS I 26 -40.735 -93.385 -23.621 1.00 42.57 O ATOM 1854 CB LYS I 26 -40.279 -93.988 -20.461 1.00 41.25 C ATOM 1855 N ALA I 27 -38.550 -93.575 -23.124 1.00 39.71 N ATOM 1856 CA ALA I 27 -38.113 -92.682 -24.190 1.00 37.70 C ATOM 1857 C ALA I 27 -38.002 -93.387 -25.535 1.00 36.49 C ATOM 1858 O ALA I 27 -38.116 -92.759 -26.587 1.00 36.69 O ATOM 1859 CB ALA I 27 -36.776 -92.062 -23.820 1.00 38.44 C ATOM 1860 N GLY I 28 -37.778 -94.693 -25.498 1.00 35.23 N ATOM 1861 CA GLY I 28 -37.646 -95.441 -26.731 1.00 33.77 C ATOM 1862 C GLY I 28 -36.236 -95.374 -27.284 1.00 33.01 C ATOM 1863 O GLY I 28 -35.975 -95.851 -28.386 1.00 34.47 O ATOM 1864 N LEU I 29 -35.319 -94.780 -26.526 1.00 31.83 N ATOM 1865 CA LEU I 29 -33.935 -94.679 -26.975 1.00 30.17 C ATOM 1866 C LEU I 29 -32.937 -94.711 -25.828 1.00 27.32 C ATOM 1867 O LEU I 29 -33.315 -94.754 -24.656 1.00 25.78 O ATOM 1868 CB LEU I 29 -33.717 -93.403 -27.799 1.00 32.59 C ATOM 1869 CG LEU I 29 -34.298 -92.064 -27.333 1.00 35.88 C ATOM 1870 CD1 LEU I 29 -35.723 -91.949 -27.837 1.00 38.04 C ATOM 1871 CD2 LEU I 29 -34.243 -91.940 -25.819 1.00 36.01 C ATOM 1872 N CYS I 30 -31.657 -94.686 -26.183 1.00 25.18 N ATOM 1873 CA CYS I 30 -30.583 -94.717 -25.203 1.00 22.98 C ATOM 1874 C CYS I 30 -30.161 -93.325 -24.771 1.00 22.93 C ATOM 1875 O CYS I 30 -30.071 -92.404 -25.577 1.00 24.66 O ATOM 1876 CB CYS I 30 -29.382 -95.441 -25.783 1.00 21.86 C ATOM 1877 SG CYS I 30 -29.746 -97.146 -26.271 1.00 22.85 S ATOM 1878 N GLN I 31 -29.896 -93.182 -23.485 1.00 21.93 N ATOM 1879 CA GLN I 31 -29.483 -91.910 -22.937 1.00 21.72 C ATOM 1880 C GLN I 31 -28.275 -92.163 -22.063 1.00 22.05 C ATOM 1881 O GLN I 31 -27.859 -93.306 -21.897 1.00 23.26 O ATOM 1882 CB GLN I 31 -30.619 -91.322 -22.122 1.00 23.29 C ATOM 1883 CG GLN I 31 -31.931 -91.374 -22.862 1.00 27.18 C ATOM 1884 CD GLN I 31 -33.020 -90.637 -22.139 1.00 28.33 C ATOM 1885 OE1 GLN I 31 -33.143 -90.740 -20.923 1.00 29.58 O ATOM 1886 NE2 GLN I 31 -33.819 -89.881 -22.881 1.00 30.43 N ATOM 1887 N THR I 32 -27.693 -91.105 -21.515 1.00 20.99 N ATOM 1888 CA THR I 32 -26.527 -91.286 -20.665 1.00 17.97 C ATOM 1889 C THR I 32 -26.911 -91.272 -19.197 1.00 16.50 C ATOM 1890 O THR I 32 -27.972 -90.770 -18.809 1.00 16.13 O ATOM 1891 CB THR I 32 -25.446 -90.193 -20.904 1.00 17.76 C ATOM 1892 OG1 THR I 32 -26.048 -88.895 -20.860 1.00 18.79 O ATOM 1893 CG2 THR I 32 -24.766 -90.397 -22.245 1.00 17.91 C ATOM 1894 N PHE I 33 -26.042 -91.864 -18.389 1.00 14.41 N ATOM 1895 CA PHE I 33 -26.225 -91.912 -16.948 1.00 12.66 C ATOM 1896 C PHE I 33 -24.838 -92.020 -16.348 1.00 11.36 C ATOM 1897 O PHE I 33 -23.869 -92.316 -17.052 1.00 10.58 O ATOM 1898 CB PHE I 33 -27.123 -93.097 -16.528 1.00 12.24 C ATOM 1899 CG PHE I 33 -26.426 -94.434 -16.483 1.00 12.07 C ATOM 1900 CD1 PHE I 33 -26.297 -95.204 -17.636 1.00 13.10 C ATOM 1901 CD2 PHE I 33 -25.957 -94.953 -15.275 1.00 13.96 C ATOM 1902 CE1 PHE I 33 -25.718 -96.471 -17.589 1.00 13.51 C ATOM 1903 CE2 PHE I 33 -25.373 -96.224 -15.220 1.00 13.29 C ATOM 1904 CZ PHE I 33 -25.256 -96.982 -16.381 1.00 13.31 C ATOM 1905 N VAL I 34 -24.740 -91.760 -15.056 1.00 11.06 N ATOM 1906 CA VAL I 34 -23.459 -91.822 -14.387 1.00 10.99 C ATOM 1907 C VAL I 34 -23.248 -93.189 -13.763 1.00 10.22 C ATOM 1908 O VAL I 34 -24.013 -93.620 -12.905 1.00 11.34 O ATOM 1909 CB VAL I 34 -23.356 -90.729 -13.306 1.00 11.27 C ATOM 1910 CG1 VAL I 34 -22.095 -90.928 -12.480 1.00 12.33 C ATOM 1911 CG2 VAL I 34 -23.352 -89.356 -13.961 1.00 12.61 C ATOM 1912 N TYR I 35 -22.211 -93.873 -14.233 1.00 8.44 N ATOM 1913 CA TYR I 35 -21.849 -95.193 -13.743 1.00 8.67 C ATOM 1914 C TYR I 35 -20.711 -94.997 -12.735 1.00 8.48 C ATOM 1915 O TYR I 35 -19.797 -94.206 -12.981 1.00 9.79 O ATOM 1916 CB TYR I 35 -21.407 -96.065 -14.923 1.00 9.76 C ATOM 1917 CG TYR I 35 -20.784 -97.382 -14.533 1.00 8.02 C ATOM 1918 CD1 TYR I 35 -21.445 -98.261 -13.678 1.00 9.51 C ATOM 1919 CD2 TYR I 35 -19.533 -97.749 -15.021 1.00 9.91 C ATOM 1920 CE1 TYR I 35 -20.873 -99.473 -13.313 1.00 9.80 C ATOM 1921 CE2 TYR I 35 -18.951 -98.956 -14.666 1.00 8.91 C ATOM 1922 CZ TYR I 35 -19.625 -99.815 -13.811 1.00 11.03 C ATOM 1923 OH TYR I 35 -19.050-101.011 -13.445 1.00 12.76 O ATOM 1924 N GLY I 36 -20.775 -95.713 -11.613 1.00 9.01 N ATOM 1925 CA GLY I 36 -19.775 -95.579 -10.562 1.00 8.27 C ATOM 1926 C GLY I 36 -18.417 -96.237 -10.731 1.00 8.47 C ATOM 1927 O GLY I 36 -17.505 -95.966 -9.952 1.00 9.83 O ATOM 1928 N GLY I 37 -18.264 -97.113 -11.717 1.00 9.28 N ATOM 1929 CA GLY I 37 -16.968 -97.735 -11.921 1.00 10.33 C ATOM 1930 C GLY I 37 -16.852 -99.200 -11.550 1.00 11.86 C ATOM 1931 O GLY I 37 -15.819 -99.818 -11.795 1.00 13.25 O ATOM 1932 N CYS I 38 -17.887 -99.768 -10.944 1.00 9.94 N ATOM 1933 CA CYS I 38 -17.840-101.176 -10.596 1.00 10.35 C ATOM 1934 C CYS I 38 -19.225-101.786 -10.524 1.00 11.54 C ATOM 1935 O CYS I 38 -20.218-101.086 -10.342 1.00 12.56 O ATOM 1936 CB CYS I 38 -17.102-101.385 -9.268 1.00 10.26 C ATOM 1937 SG CYS I 38 -17.964-100.837 -7.764 1.00 10.56 S ATOM 1938 N ARG I 39 -19.272-103.100 -10.712 1.00 12.09 N ATOM 1939 CA ARG I 39 -20.505-103.876 -10.646 1.00 14.59 C ATOM 1940 C ARG I 39 -21.624-103.477 -11.602 1.00 13.70 C ATOM 1941 O ARG I 39 -22.795-103.452 -11.228 1.00 13.80 O ATOM 1942 CB ARG I 39 -21.019-103.876 -9.208 1.00 17.60 C ATOM 1943 CG ARG I 39 -20.154-104.726 -8.300 1.00 23.65 C ATOM 1944 CD ARG I 39 -20.241-104.306 -6.849 1.00 30.78 C ATOM 1945 NE ARG I 39 -21.143-105.150 -6.067 1.00 37.42 N ATOM 1946 CZ ARG I 39 -21.275-106.468 -6.213 1.00 39.49 C ATOM 1947 NH1 ARG I 39 -20.560-107.129 -7.118 1.00 42.38 N ATOM 1948 NH2 ARG I 39 -22.127-107.129 -5.442 1.00 41.52 N ATOM 1949 N ALA I 40 -21.251-103.197 -12.845 1.00 13.92 N ATOM 1950 CA ALA I 40 -22.205-102.803 -13.873 1.00 14.70 C ATOM 1951 C ALA I 40 -23.257-103.878 -14.130 1.00 16.34 C ATOM 1952 O ALA I 40 -22.981-105.073 -14.032 1.00 17.10 O ATOM 1953 CB ALA I 40 -21.464-102.503 -15.173 1.00 14.37 C ATOM 1954 N LYS I 41 -24.470-103.438 -14.450 1.00 18.74 N ATOM 1955 CA LYS I 41 -25.553-104.353 -14.784 1.00 18.54 C ATOM 1956 C LYS I 41 -25.529-104.368 -16.312 1.00 19.64 C ATOM 1957 O LYS I 41 -24.738-103.641 -16.913 1.00 19.26 O ATOM 1958 CB LYS I 41 -26.883-103.828 -14.247 1.00 20.54 C ATOM 1959 CG LYS I 41 -27.083-104.129 -12.769 1.00 20.97 C ATOM 1960 CD LYS I 41 -28.485-103.793 -12.331 1.00 25.05 C ATOM 1961 CE LYS I 41 -28.703-104.180 -10.881 1.00 29.67 C ATOM 1962 NZ LYS I 41 -29.769-103.337 -10.269 1.00 32.37 N ATOM 1963 N ARG I 42 -26.378-105.166 -16.952 1.00 18.82 N ATOM 1964 CA ARG I 42 -26.346-105.244 -18.415 1.00 19.14 C ATOM 1965 C ARG I 42 -26.823-104.021 -19.205 1.00 15.12 C ATOM 1966 O ARG I 42 -26.367-103.804 -20.330 1.00 15.49 O ATOM 1967 CB ARG I 42 -27.082-106.505 -18.881 1.00 21.35 C ATOM 1968 CG ARG I 42 -26.340-107.790 -18.499 1.00 24.87 C ATOM 1969 CD ARG I 42 -27.119-109.038 -18.881 1.00 27.74 C ATOM 1970 NE ARG I 42 -28.193-109.334 -17.937 1.00 29.54 N ATOM 1971 CZ ARG I 42 -29.134-110.252 -18.143 1.00 32.97 C ATOM 1972 NH1 ARG I 42 -29.127-110.971 -19.262 1.00 33.98 N ATOM 1973 NH2 ARG I 42 -30.079-110.457 -17.233 1.00 34.25 N ATOM 1974 N ASN I 43 -27.727-103.228 -18.635 1.00 14.25 N ATOM 1975 CA ASN I 43 -28.213-102.026 -19.314 1.00 13.29 C ATOM 1976 C ASN I 43 -27.206-100.908 -19.050 1.00 11.74 C ATOM 1977 O ASN I 43 -27.514 -99.891 -18.425 1.00 11.91 O ATOM 1978 CB ASN I 43 -29.590-101.627 -18.788 1.00 13.66 C ATOM 1979 CG ASN I 43 -30.327-100.716 -19.742 1.00 14.34 C ATOM 1980 OD1 ASN I 43 -29.837-100.417 -20.830 1.00 13.41 O ATOM 1981 ND2 ASN I 43 -31.510-100.265 -19.339 1.00 14.76 N ATOM 1982 N ASN I 44 -26.000-101.114 -19.566 1.00 13.25 N ATOM 1983 CA ASN I 44 -24.878-100.204 -19.383 1.00 13.89 C ATOM 1984 C ASN I 44 -23.962-100.389 -20.605 1.00 15.22 C ATOM 1985 O ASN I 44 -23.327-101.432 -20.762 1.00 14.61 O ATOM 1986 CB ASN I 44 -24.178-100.611 -18.076 1.00 12.69 C ATOM 1987 CG ASN I 44 -22.974 -99.760 -17.746 1.00 14.42 C ATOM 1988 OD1 ASN I 44 -22.231 -99.340 -18.630 1.00 12.89 O ATOM 1989 ND2 ASN I 44 -22.765 -99.517 -16.453 1.00 13.63 N ATOM 1990 N PHE I 45 -23.897 -99.372 -21.461 1.00 15.41 N ATOM 1991 CA PHE I 45 -23.098 -99.442 -22.680 1.00 16.96 C ATOM 1992 C PHE I 45 -22.069 -98.324 -22.825 1.00 18.27 C ATOM 1993 O PHE I 45 -22.302 -97.197 -22.392 1.00 17.07 O ATOM 1994 CB PHE I 45 -24.033 -99.435 -23.897 1.00 16.53 C ATOM 1995 CG PHE I 45 -25.099-100.490 -23.846 1.00 16.10 C ATOM 1996 CD1 PHE I 45 -24.863-101.754 -24.372 1.00 16.67 C ATOM 1997 CD2 PHE I 45 -26.335-100.228 -23.262 1.00 16.14 C ATOM 1998 CE1 PHE I 45 -25.841-102.747 -24.318 1.00 17.32 C ATOM 1999 CE2 PHE I 45 -27.323-101.216 -23.203 1.00 16.85 C ATOM 2000 CZ PHE I 45 -27.073-102.477 -23.732 1.00 15.31 C ATOM 2001 N LYS I 46 -20.938 -98.642 -23.452 1.00 19.62 N ATOM 2002 CA LYS I 46 -19.877 -97.657 -23.664 1.00 23.14 C ATOM 2003 C LYS I 46 -20.178 -96.750 -24.862 1.00 24.87 C ATOM 2004 O LYS I 46 -19.487 -95.764 -25.088 1.00 26.09 O ATOM 2005 CB LYS I 46 -18.532 -98.364 -23.870 1.00 24.67 C ATOM 2006 CG LYS I 46 -18.020 -99.103 -22.631 1.00 27.46 C ATOM 2007 CD LYS I 46 -16.838-100.011 -22.953 1.00 29.21 C ATOM 2008 CE LYS I 46 -15.588 -99.604 -22.184 1.00 30.74 C ATOM 2009 NZ LYS I 46 -15.257-100.553 -21.078 1.00 32.11 N ATOM 2010 N SER I 47 -21.219 -97.086 -25.622 1.00 27.37 N ATOM 2011 CA SER I 47 -21.616 -96.300 -26.796 1.00 27.71 C ATOM 2012 C SER I 47 -23.100 -96.459 -27.136 1.00 28.12 C ATOM 2013 O SER I 47 -23.692 -97.509 -26.885 1.00 27.55 O ATOM 2014 CB SER I 47 -20.781 -96.709 -28.010 1.00 29.10 C ATOM 2015 OG SER I 47 -21.276 -97.904 -28.588 1.00 29.81 O ATOM 2016 N ALA I 48 -23.692 -95.420 -27.717 1.00 27.15 N ATOM 2017 CA ALA I 48 -25.103 -95.458 -28.084 1.00 28.21 C ATOM 2018 C ALA I 48 -25.372 -96.522 -29.145 1.00 27.88 C ATOM 2019 O ALA I 48 -26.410 -97.181 -29.125 1.00 27.48 O ATOM 2020 CB ALA I 48 -25.548 -94.091 -28.587 1.00 27.40 C ATOM 2021 N GLU I 49 -24.429 -96.682 -30.066 1.00 29.14 N ATOM 2022 CA GLU I 49 -24.541 -97.662 -31.145 1.00 31.58 C ATOM 2023 C GLU I 49 -24.789 -99.066 -30.592 1.00 29.65 C ATOM 2024 O GLU I 49 -25.678 -99.791 -31.049 1.00 28.24 O ATOM 2025 CB GLU I 49 -23.248 -97.666 -31.965 1.00 35.49 C ATOM 2026 CG GLU I 49 -23.033 -96.422 -32.820 1.00 42.61 C ATOM 2027 CD GLU I 49 -22.468 -95.239 -32.040 1.00 46.34 C ATOM 2028 OE1 GLU I 49 -21.852 -95.445 -30.970 1.00 47.72 O ATOM 2029 OE2 GLU I 49 -22.644 -94.095 -32.510 1.00 49.44 O ATOM 2030 N ASP I 50 -23.978 -99.434 -29.606 1.00 29.22 N ATOM 2031 CA ASP I 50 -24.044-100.735 -28.951 1.00 28.63 C ATOM 2032 C ASP I 50 -25.353-100.887 -28.208 1.00 25.31 C ATOM 2033 O ASP I 50 -25.984-101.944 -28.220 1.00 23.27 O ATOM 2034 CB ASP I 50 -22.898-100.855 -27.951 1.00 32.94 C ATOM 2035 CG ASP I 50 -22.077-102.098 -28.160 1.00 38.47 C ATOM 2036 OD1 ASP I 50 -22.490-103.173 -27.672 1.00 40.90 O ATOM 2037 OD2 ASP I 50 -21.018-102.001 -28.816 1.00 42.39 O ATOM 2038 N CYS I 51 -25.732 -99.808 -27.539 1.00 23.59 N ATOM 2039 CA CYS I 51 -26.948 -99.768 -26.760 1.00 21.64 C ATOM 2040 C CYS I 51 -28.167 -99.965 -27.646 1.00 22.10 C ATOM 2041 O CYS I 51 -29.038-100.784 -27.345 1.00 21.00 O ATOM 2042 CB CYS I 51 -27.036 -98.429 -26.039 1.00 20.00 C ATOM 2043 SG CYS I 51 -28.544 -98.235 -25.059 1.00 19.23 S ATOM 2044 N MET I 52 -28.224 -99.211 -28.739 1.00 21.52 N ATOM 2045 CA MET I 52 -29.342 -99.302 -29.667 1.00 23.74 C ATOM 2046 C MET I 52 -29.373-100.652 -30.383 1.00 24.03 C ATOM 2047 O MET I 52 -30.443-101.184 -30.671 1.00 22.56 O ATOM 2048 CB MET I 52 -29.272 -98.162 -30.685 1.00 25.69 C ATOM 2049 CG MET I 52 -29.827 -96.832 -30.170 1.00 28.66 C ATOM 2050 SD MET I 52 -31.464 -96.971 -29.408 1.00 33.90 S ATOM 2051 CE MET I 52 -32.481 -97.480 -30.816 1.00 33.69 C ATOM 2052 N ARG I 53 -28.201-101.218 -30.653 1.00 25.15 N ATOM 2053 CA ARG I 53 -28.136-102.512 -31.322 1.00 26.54 C ATOM 2054 C ARG I 53 -28.684-103.608 -30.409 1.00 25.45 C ATOM 2055 O ARG I 53 -29.538-104.396 -30.811 1.00 26.27 O ATOM 2056 CB ARG I 53 -26.692-102.847 -31.708 1.00 29.58 C ATOM 2057 CG ARG I 53 -26.422-104.344 -31.809 1.00 35.49 C ATOM 2058 CD ARG I 53 -24.974-104.634 -32.163 1.00 41.16 C ATOM 2059 NE ARG I 53 -24.174-104.967 -30.987 1.00 45.50 N ATOM 2060 CZ ARG I 53 -24.340-106.064 -30.253 1.00 47.10 C ATOM 2061 NH1 ARG I 53 -25.281-106.945 -30.571 1.00 47.15 N ATOM 2062 NH2 ARG I 53 -23.561-106.281 -29.200 1.00 49.36 N ATOM 2063 N THR I 54 -28.193-103.641 -29.175 1.00 23.68 N ATOM 2064 CA THR I 54 -28.603-104.644 -28.201 1.00 22.37 C ATOM 2065 C THR I 54 -30.027-104.495 -27.647 1.00 22.84 C ATOM 2066 O THR I 54 -30.729-105.487 -27.455 1.00 23.29 O ATOM 2067 CB THR I 54 -27.603-104.680 -27.011 1.00 21.63 C ATOM 2068 OG1 THR I 54 -26.290-104.993 -27.496 1.00 22.12 O ATOM 2069 CG2 THR I 54 -28.018-105.730 -25.988 1.00 22.04 C ATOM 2070 N CYS I 55 -30.460-103.264 -27.399 1.00 22.65 N ATOM 2071 CA CYS I 55 -31.789-103.028 -26.830 1.00 24.15 C ATOM 2072 C CYS I 55 -32.801-102.361 -27.763 1.00 25.24 C ATOM 2073 O CYS I 55 -33.980-102.263 -27.416 1.00 23.72 O ATOM 2074 CB CYS I 55 -31.660-102.185 -25.561 1.00 21.58 C ATOM 2075 SG CYS I 55 -30.894-103.066 -24.170 1.00 20.12 S ATOM 2076 N GLY I 56 -32.360-101.901 -28.933 1.00 27.91 N ATOM 2077 CA GLY I 56 -33.279-101.251 -29.858 1.00 33.16 C ATOM 2078 C GLY I 56 -34.503-102.080 -30.177 1.00 36.36 C ATOM 2079 O GLY I 56 -34.365-103.320 -30.249 1.00 39.53 O TER 2080 GLY I 56 HETATM 2081 CA CA E 500 -8.986 -74.881 -13.313 1.00 10.94 CA HETATM 2082 S SO4 I 990 -29.496-107.122 -15.105 1.00 45.89 S HETATM 2083 O1 SO4 I 990 -30.387-105.990 -14.868 1.00 45.66 O HETATM 2084 O2 SO4 I 990 -30.305-108.282 -15.671 1.00 47.06 O HETATM 2085 O3 SO4 I 990 -28.378-106.819 -16.134 1.00 44.58 O HETATM 2086 O4 SO4 I 990 -28.801-107.496 -13.804 1.00 46.44 O HETATM 2087 S SO4 I 991 -16.866-101.946 -16.507 1.00 58.66 S HETATM 2088 O1 SO4 I 991 -18.168-101.795 -17.133 1.00 58.85 O HETATM 2089 O2 SO4 I 991 -16.186-103.204 -17.037 1.00 61.24 O HETATM 2090 O3 SO4 I 991 -15.915-100.762 -16.815 1.00 59.35 O HETATM 2091 O4 SO4 I 991 -17.044-101.991 -15.002 1.00 58.01 O HETATM 2092 S SO4 I 992 -15.373 -95.631 -20.388 1.00 76.88 S HETATM 2093 O1 SO4 I 992 -16.819 -95.533 -20.570 1.00 74.90 O HETATM 2094 O2 SO4 I 992 -15.072 -96.571 -19.227 1.00 74.94 O HETATM 2095 O3 SO4 I 992 -14.638 -96.207 -21.627 1.00 76.68 O HETATM 2096 O4 SO4 I 992 -14.795 -94.240 -20.154 1.00 77.69 O HETATM 2097 O HOH E 501 -11.503 -87.115 -4.769 1.00 5.24 O HETATM 2098 O HOH E 502 -12.354 -86.005 -7.111 1.00 6.80 O HETATM 2099 O HOH E 503 -9.922 -79.747 -15.265 1.00 8.11 O HETATM 2100 O HOH E 505 -4.954 -96.225 6.656 1.00 8.81 O HETATM 2101 O HOH E 506 -16.387 -93.865 -0.021 1.00 9.03 O HETATM 2102 O HOH E 507 -10.522 -82.611 -14.897 1.00 9.46 O HETATM 2103 O HOH E 508 -8.099 -84.315 1.763 1.00 9.61 O HETATM 2104 O HOH E 510 -5.803 -80.740 -8.819 1.00 9.97 O HETATM 2105 O HOH E 511 -6.789 -77.439 -3.192 1.00 10.11 O HETATM 2106 O HOH E 512 -14.076 -98.629 9.915 1.00 10.38 O HETATM 2107 O HOH E 513 -8.907 -76.392 -15.340 1.00 10.92 O HETATM 2108 O HOH E 514 -9.536-102.386 -0.148 1.00 11.16 O HETATM 2109 O HOH E 515 -17.815 -90.633 4.047 1.00 11.16 O HETATM 2110 O HOH E 516 -12.947 -89.256 -19.032 1.00 11.21 O HETATM 2111 O HOH E 518 -21.330 -90.779 6.218 1.00 11.87 O HETATM 2112 O HOH E 519 -8.880 -74.064 4.878 1.00 11.91 O HETATM 2113 O HOH E 520 -24.745 -93.998 1.677 1.00 12.89 O HETATM 2114 O HOH E 521 -2.866 -80.408 -6.875 1.00 13.74 O HETATM 2115 O HOH E 522 -5.830 -90.853 -2.991 1.00 13.91 O HETATM 2116 O HOH E 523 -8.437 -76.054 -4.670 1.00 14.23 O HETATM 2117 O HOH E 524 -12.176-100.804 -0.833 1.00 14.78 O HETATM 2118 O HOH E 526 -15.679 -92.475 15.304 1.00 15.22 O HETATM 2119 O HOH E 527 -9.977-101.744 -12.840 1.00 15.62 O HETATM 2120 O HOH E 528 -17.839 -81.192 7.124 1.00 15.90 O HETATM 2121 O HOH E 529 -5.956 -78.864 -5.779 1.00 15.96 O HETATM 2122 O HOH E 530 -10.967 -75.394 3.385 1.00 16.14 O HETATM 2123 O HOH E 531 -10.713 -77.533 4.917 1.00 16.48 O HETATM 2124 O HOH E 532 -14.888 -82.486 -16.343 1.00 16.79 O HETATM 2125 O HOH E 533 -21.967 -94.857 -3.790 1.00 16.81 O HETATM 2126 O HOH E 534 -17.499 -80.354 -7.301 1.00 16.95 O HETATM 2127 O HOH E 535 2.357-103.265 1.970 1.00 17.54 O HETATM 2128 O HOH E 537 -4.798-106.143 -10.519 1.00 18.17 O HETATM 2129 O HOH E 539 1.388 -74.872 -10.393 1.00 18.51 O HETATM 2130 O HOH E 540 -7.815 -84.959 -20.882 1.00 18.78 O HETATM 2131 O HOH E 541 -23.658 -92.000 4.853 1.00 18.82 O HETATM 2132 O HOH E 542 -9.201-107.406 -10.688 1.00 18.85 O HETATM 2133 O HOH E 543 -28.978 -97.071 4.112 1.00 19.03 O HETATM 2134 O HOH E 544 -16.717 -79.411 8.999 1.00 19.25 O HETATM 2135 O HOH E 545 -4.143 -76.596 -5.270 1.00 19.36 O HETATM 2136 O HOH E 546 -5.219 -81.706 4.611 1.00 19.74 O HETATM 2137 O HOH E 547 -1.923 -92.121 -20.109 1.00 19.75 O HETATM 2138 O HOH E 548 -16.881-106.102 -0.313 1.00 20.54 O HETATM 2139 O HOH E 549 -2.876 -90.210 10.514 1.00 20.70 O HETATM 2140 O HOH E 550 1.166 -84.347 4.484 1.00 20.77 O HETATM 2141 O HOH E 551 -9.464 -98.257 -20.477 1.00 20.82 O HETATM 2142 O HOH E 552 5.194 -77.960 -2.376 1.00 21.03 O HETATM 2143 O HOH E 553 -19.285 -90.237 13.154 1.00 21.30 O HETATM 2144 O HOH E 554 -10.757 -82.370 9.551 1.00 21.91 O HETATM 2145 O HOH E 555 -7.374-105.892 -12.230 1.00 22.93 O HETATM 2146 O HOH E 556 -24.810-105.735 1.044 1.00 23.15 O HETATM 2147 O HOH E 557 5.271 -80.943 -1.545 1.00 23.37 O HETATM 2148 O HOH E 558 -10.127-108.826 -12.938 1.00 23.73 O HETATM 2149 O HOH E 559 -14.408-102.202 16.368 1.00 24.00 O HETATM 2150 O HOH E 560 4.463 -89.060 0.242 1.00 24.11 O HETATM 2151 O HOH E 561 -17.824 -83.570 -4.119 1.00 24.45 O HETATM 2152 O HOH E 562 -21.865 -91.708 13.398 1.00 24.65 O HETATM 2153 O HOH E 563 -27.880 -92.169 -2.338 1.00 24.81 O HETATM 2154 O HOH E 564 0.796 -78.318 -17.789 1.00 24.94 O HETATM 2155 O HOH E 565 -16.902-104.559 -11.094 1.00 25.12 O HETATM 2156 O HOH E 566 -11.440 -98.751 -18.435 1.00 25.23 O HETATM 2157 O HOH E 567 -6.873 -84.241 10.629 1.00 25.57 O HETATM 2158 O HOH E 568 10.555 -95.925 -2.807 1.00 25.81 O HETATM 2159 O HOH E 569 -11.364-100.158 15.398 1.00 25.95 O HETATM 2160 O HOH E 570 0.053-105.205 -0.476 1.00 25.97 O HETATM 2161 O HOH E 571 -5.839 -73.361 -10.581 1.00 26.36 O HETATM 2162 O HOH E 572 -15.697 -72.171 -17.924 1.00 26.97 O HETATM 2163 O HOH E 574 -0.564 -99.313 12.964 1.00 27.43 O HETATM 2164 O HOH E 575 10.020 -93.991 -9.515 1.00 27.43 O HETATM 2165 O HOH E 576 -21.602 -86.714 -6.365 1.00 27.96 O HETATM 2166 O HOH E 577 -9.739 -91.820 -23.167 1.00 28.19 O HETATM 2167 O HOH E 578 1.300 -98.858 8.485 1.00 28.27 O HETATM 2168 O HOH E 579 -4.520 -82.968 8.409 1.00 28.48 O HETATM 2169 O HOH E 580 4.362 -79.548 -14.884 1.00 28.82 O HETATM 2170 O HOH E 581 -13.814 -90.394 -21.391 1.00 28.93 O HETATM 2171 O HOH E 582 -6.432 -96.673 9.346 1.00 29.25 O HETATM 2172 O HOH E 583 -11.768 -77.553 -18.317 1.00 29.29 O HETATM 2173 O HOH E 584 -12.122 -81.475 -19.643 1.00 29.32 O HETATM 2174 O HOH E 585 -17.010 -71.605 -14.037 1.00 29.73 O HETATM 2175 O HOH E 587 -9.505 -76.066 -17.781 1.00 29.91 O HETATM 2176 O HOH E 588 -16.194 -80.665 -14.868 1.00 30.01 O HETATM 2177 O HOH E 589 -17.903 -83.182 -11.862 1.00 30.33 O HETATM 2178 O HOH E 590 -17.293 -91.833 -21.543 1.00 30.50 O HETATM 2179 O HOH E 591 2.945-105.188 -7.562 1.00 30.54 O HETATM 2180 O HOH E 592 -18.929 -76.654 -7.378 1.00 30.72 O HETATM 2181 O HOH E 594 -13.252-105.711 9.079 1.00 31.29 O HETATM 2182 O HOH E 596 -17.940 -91.149 15.313 1.00 31.69 O HETATM 2183 O HOH E 597 -8.501-109.985 -3.192 1.00 31.80 O HETATM 2184 O HOH E 598 -5.915-109.793 0.402 1.00 31.86 O HETATM 2185 O HOH E 599 5.994-104.698 -1.569 1.00 31.89 O HETATM 2186 O HOH E 600 -23.786 -99.715 12.190 1.00 32.10 O HETATM 2187 O HOH E 601 5.544 -90.325 3.137 1.00 32.15 O HETATM 2188 O HOH E 603 -20.233 -80.812 -1.023 1.00 32.37 O HETATM 2189 O HOH E 604 -20.119 -74.135 0.765 1.00 32.37 O HETATM 2190 O HOH E 605 -25.439 -98.556 -4.320 1.00 32.42 O HETATM 2191 O HOH E 606 -11.094 -97.691 12.433 1.00 32.60 O HETATM 2192 O HOH E 607 2.722 -85.001 -20.041 1.00 32.75 O HETATM 2193 O HOH E 609 -5.461 -72.999 4.059 1.00 32.84 O HETATM 2194 O HOH E 610 -14.305 -71.092 -4.485 1.00 33.05 O HETATM 2195 O HOH E 611 -13.333 -86.973 16.132 1.00 33.12 O HETATM 2196 O HOH E 613 -19.159-104.050 -1.687 1.00 33.22 O HETATM 2197 O HOH E 614 -24.860-106.923 3.480 1.00 33.83 O HETATM 2198 O HOH E 615 5.644 -93.787 6.195 1.00 34.32 O HETATM 2199 O HOH E 616 -27.162-102.646 8.785 1.00 34.37 O HETATM 2200 O HOH E 617 -8.643 -97.264 11.558 1.00 34.77 O HETATM 2201 O HOH E 618 0.412 -98.633 -17.973 1.00 34.78 O HETATM 2202 O HOH E 619 -21.557-105.024 -1.995 1.00 34.87 O HETATM 2203 O HOH E 620 4.085 -89.514 7.950 1.00 35.13 O HETATM 2204 O HOH E 621 -18.284-105.074 -13.709 1.00 35.19 O HETATM 2205 O HOH E 622 -13.275 -80.377 -17.129 1.00 35.69 O HETATM 2206 O HOH E 624 -12.607 -96.682 -14.796 1.00 35.82 O HETATM 2207 O HOH E 625 4.794-105.549 4.747 1.00 36.24 O HETATM 2208 O HOH E 626 -0.478-102.440 8.581 1.00 36.39 O HETATM 2209 O HOH E 627 12.006 -94.286 -4.459 1.00 36.54 O HETATM 2210 O HOH E 628 -16.586-100.524 18.621 1.00 36.57 O HETATM 2211 O HOH E 629 -15.017 -93.831 17.645 1.00 37.20 O HETATM 2212 O HOH E 631 -5.160 -71.745 0.640 1.00 37.32 O HETATM 2213 O HOH E 632 -18.380-107.019 7.389 1.00 37.46 O HETATM 2214 O HOH E 633 -10.152-109.282 5.781 1.00 37.71 O HETATM 2215 O HOH E 634 -7.481 -84.821 14.167 1.00 37.95 O HETATM 2216 O HOH E 635 -11.434 -69.744 -1.444 1.00 38.33 O HETATM 2217 O HOH E 637 -14.551-111.858 -6.550 1.00 38.83 O HETATM 2218 O HOH E 638 -17.131 -83.426 11.842 1.00 39.02 O HETATM 2219 O HOH E 639 -20.391-105.755 13.997 1.00 39.73 O HETATM 2220 O HOH E 640 -25.228 -92.541 -5.789 1.00 40.33 O HETATM 2221 O HOH E 641 -19.780 -83.969 -0.003 1.00 40.78 O HETATM 2222 O HOH E 642 -19.663 -85.419 -1.568 1.00 40.83 O HETATM 2223 O HOH E 644 -20.766 -76.628 -1.246 1.00 41.05 O HETATM 2224 O HOH E 645 -6.164 -71.607 -8.371 1.00 41.07 O HETATM 2225 O HOH E 646 8.196 -75.068 -8.811 1.00 41.15 O HETATM 2226 O HOH E 647 -3.503-112.223 -7.263 1.00 41.27 O HETATM 2227 O HOH E 649 -11.459 -99.971 -14.839 1.00 42.44 O HETATM 2228 O HOH E 650 1.360 -91.703 -22.438 1.00 42.44 O HETATM 2229 O HOH E 651 -28.199-105.442 8.915 1.00 42.78 O HETATM 2230 O HOH E 652 -2.939 -78.630 3.162 1.00 43.57 O HETATM 2231 O HOH E 653 10.003 -81.684 -15.176 1.00 43.79 O HETATM 2232 O HOH E 654 -24.506 -88.399 -9.721 1.00 43.97 O HETATM 2233 O HOH E 656 -9.714 -98.499 16.377 1.00 44.26 O HETATM 2234 O HOH E 657 -19.003 -82.503 9.304 1.00 44.61 O HETATM 2235 O HOH E 658 -0.736 -69.196 -2.716 1.00 44.99 O HETATM 2236 O HOH E 659 -16.815 -70.184 -4.039 1.00 45.12 O HETATM 2237 O HOH E 660 -10.279-105.952 10.320 1.00 45.14 O HETATM 2238 O HOH E 661 11.211-101.476 -14.162 1.00 45.14 O HETATM 2239 O HOH E 664 -11.321 -70.351 -9.140 1.00 45.36 O HETATM 2240 O HOH E 665 -0.431 -82.353 4.151 1.00 45.45 O HETATM 2241 O HOH E 666 -3.090-107.643 0.086 1.00 45.58 O HETATM 2242 O HOH E 667 2.618-101.283 5.259 1.00 45.95 O HETATM 2243 O HOH E 668 -24.496 -89.942 -8.083 1.00 45.96 O HETATM 2244 O HOH E 670 0.017-105.296 -10.954 1.00 46.50 O HETATM 2245 O HOH E 672 9.820 -81.675 -8.863 1.00 46.70 O HETATM 2246 O HOH E 673 -20.559 -77.080 -14.475 1.00 46.74 O HETATM 2247 O HOH E 674 -17.878 -84.825 13.916 1.00 47.06 O HETATM 2248 O HOH E 675 6.381 -92.448 7.826 1.00 47.48 O HETATM 2249 O HOH E 676 -17.254 -84.341 -1.298 1.00 47.55 O HETATM 2250 O HOH E 677 -15.695-109.718 3.389 1.00 47.88 O HETATM 2251 O HOH E 678 -15.941 -87.913 16.769 1.00 47.97 O HETATM 2252 O HOH E 679 9.914 -90.363 -8.162 1.00 48.10 O HETATM 2253 O HOH E 680 -26.869 -82.073 4.649 1.00 48.17 O HETATM 2254 O HOH E 681 -8.455-109.611 2.844 1.00 48.31 O HETATM 2255 O HOH E 684 -28.686 -90.104 -1.571 1.00 48.99 O HETATM 2256 O HOH E 685 6.276 -81.596 -15.503 1.00 49.25 O HETATM 2257 O HOH E 686 -9.361 -93.589 -25.580 1.00 49.28 O HETATM 2258 O HOH E 687 -12.258-109.728 -1.486 1.00 49.31 O HETATM 2259 O HOH E 688 -16.177 -97.897 19.457 1.00 49.57 O HETATM 2260 O HOH E 690 -6.992 -78.496 3.785 1.00 49.88 O HETATM 2261 O HOH E 691 -15.092 -82.256 -20.242 1.00 49.99 O HETATM 2262 O HOH E 692 3.415 -87.405 9.624 1.00 50.11 O HETATM 2263 O HOH E 694 -10.255 -79.063 8.259 1.00 50.38 O HETATM 2264 O HOH E 695 -2.093 -97.031 -23.066 1.00 50.46 O HETATM 2265 O HOH E 696 7.714 -83.626 -1.258 1.00 50.53 O HETATM 2266 O HOH E 697 4.670 -98.172 -19.703 1.00 50.76 O HETATM 2267 O HOH E 698 -4.468-103.264 9.744 1.00 51.11 O HETATM 2268 O HOH E 699 10.549 -88.016 -16.994 1.00 51.39 O HETATM 2269 O HOH E 700 -3.066-106.052 3.237 1.00 51.57 O HETATM 2270 O HOH E 701 15.190 -95.973 -7.126 1.00 51.58 O HETATM 2271 O HOH E 702 -30.148 -89.739 9.927 1.00 52.46 O HETATM 2272 O HOH E 703 -4.348 -90.160 15.714 1.00 53.14 O HETATM 2273 O HOH E 704 -22.461-111.978 -6.658 1.00 53.24 O HETATM 2274 O HOH E 706 0.790-104.214 6.210 1.00 53.45 O HETATM 2275 O HOH E 707 10.950 -92.288 -6.234 1.00 53.58 O HETATM 2276 O HOH E 708 3.478 -70.638 -5.030 1.00 55.58 O HETATM 2277 O HOH E 709 -2.234 -77.686 5.267 1.00 57.34 O HETATM 2278 O HOH E 710 -4.844 -68.033 -10.682 1.00 59.78 O HETATM 2279 O HOH I 504 -20.336 -98.588 -9.255 1.00 8.20 O HETATM 2280 O HOH I 509 -24.677-100.446 -14.617 1.00 9.77 O HETATM 2281 O HOH I 517 -21.436 -94.075 0.711 1.00 11.46 O HETATM 2282 O HOH I 525 -27.262 -99.927 -15.684 1.00 14.87 O HETATM 2283 O HOH I 536 -29.683-101.440 -15.220 1.00 17.62 O HETATM 2284 O HOH I 538 -29.921-103.851 -16.603 1.00 18.28 O HETATM 2285 O HOH I 573 -24.587-105.585 -10.290 1.00 27.13 O HETATM 2286 O HOH I 586 -28.914 -96.301 -9.533 1.00 29.78 O HETATM 2287 O HOH I 593 -26.782 -97.709 -7.379 1.00 30.80 O HETATM 2288 O HOH I 595 -24.537-105.411 -21.744 1.00 31.49 O HETATM 2289 O HOH I 602 -35.568-108.073 -15.370 1.00 32.18 O HETATM 2290 O HOH I 608 -34.199 -98.090 -18.681 1.00 32.78 O HETATM 2291 O HOH I 612 -37.019-106.108 -16.646 1.00 33.14 O HETATM 2292 O HOH I 623 -24.150-103.302 -4.380 1.00 35.80 O HETATM 2293 O HOH I 630 -24.419 -95.784 -5.451 1.00 37.30 O HETATM 2294 O HOH I 636 -15.023-103.308 -13.470 1.00 38.51 O HETATM 2295 O HOH I 643 -31.310-101.153 -11.687 1.00 40.99 O HETATM 2296 O HOH I 648 -33.343-107.863 -16.199 1.00 42.00 O HETATM 2297 O HOH I 655 -14.075 -99.195 -14.049 1.00 44.15 O HETATM 2298 O HOH I 662 -17.906 -93.917 -23.742 1.00 45.34 O HETATM 2299 O HOH I 663 -28.223 -93.590 -12.154 1.00 45.34 O HETATM 2300 O HOH I 669 -24.741-104.935 -6.730 1.00 46.31 O HETATM 2301 O HOH I 671 -19.885-103.681 -18.333 1.00 46.56 O HETATM 2302 O HOH I 682 -31.650-114.258 -17.288 1.00 48.39 O HETATM 2303 O HOH I 683 -32.928 -88.282 -24.955 1.00 48.74 O HETATM 2304 O HOH I 689 -32.150-112.094 -19.858 1.00 49.71 O HETATM 2305 O HOH I 693 -22.688-106.798 -19.373 1.00 50.21 O HETATM 2306 O HOH I 705 -21.658-103.272 -22.519 1.00 53.28 O CONECT 38 1008 CONECT 183 301 CONECT 301 183 CONECT 394 2081 CONECT 409 2081 CONECT 433 2081 CONECT 452 2081 CONECT 474 2081 CONECT 843 1530 CONECT 886 1332 CONECT 1008 38 CONECT 1087 1194 CONECT 1194 1087 CONECT 1270 1435 CONECT 1332 886 CONECT 1435 1270 CONECT 1530 843 CONECT 1682 2075 CONECT 1749 1937 CONECT 1877 2043 CONECT 1937 1749 CONECT 2043 1877 CONECT 2075 1682 CONECT 2081 394 409 433 452 CONECT 2081 474 2107 CONECT 2082 2083 2084 2085 2086 CONECT 2083 2082 CONECT 2084 2082 CONECT 2085 2082 CONECT 2086 2082 CONECT 2087 2088 2089 2090 2091 CONECT 2088 2087 CONECT 2089 2087 CONECT 2090 2087 CONECT 2091 2087 CONECT 2092 2093 2094 2095 2096 CONECT 2093 2092 CONECT 2094 2092 CONECT 2095 2092 CONECT 2096 2092 CONECT 2107 2081 MASTER 334 0 4 5 16 0 7 6 2291 2 41 23 END
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bth
RCSB PDB
PDBbind
BPTI
1eaw
RCSB PDB
PDBbind
BPTI
Entry Information
PDB ID
3tgk
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
delta I16V17/D194N trypsinogen
Ligand Name
BPTI
EC.Number
E.C.3.4.21.4
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=12uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) Protein Sci. Vol. 10: pp. 1331-1342
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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