Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 28-SEP-00 1FY8 TITLE CRYSTAL STRUCTURE OF THE DELTAILE16VAL17 RAT ANIONIC TRYPSINOGEN-BPTI TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN II, ANIONIC; COMPND 3 CHAIN: E; COMPND 4 SYNONYM: TRYPSINOGEN; COMPND 5 EC: 3.4.21.4; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: PANCREATIC TRYPSIN INHIBITOR; COMPND 9 CHAIN: I; COMPND 10 SYNONYM: BPTI SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; SOURCE 3 ORGANISM_COMMON: BLACK RAT; SOURCE 4 ORGANISM_TAXID: 10117; SOURCE 5 ORGAN: PANCREAS; SOURCE 6 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE; SOURCE 7 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 4932; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PYT; SOURCE 11 MOL_ID: 2; SOURCE 12 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 13 ORGANISM_COMMON: CATTLE; SOURCE 14 ORGANISM_TAXID: 9913 KEYWDS PROTEIN-PROTEIN COMPLEX, PROTEASE-INHIBITOR COMPLEX, BETA BARREL, KEYWDS 2 HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.PASTERNAK,A.WHITE,C.J.JEFFERY,D.RINGE,L.HEDSTROM REVDAT 4 04-OCT-17 1FY8 1 REMARK REVDAT 3 24-FEB-09 1FY8 1 VERSN REVDAT 2 04-JUL-01 1FY8 1 JRNL REVDAT 1 08-NOV-00 1FY8 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 3.1 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) (%) : 95.2 REMARK 3 NUMBER OF REFLECTIONS : 16038 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1603 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2057 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 16 REMARK 3 SOLVENT ATOMS : 218 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : 1.500 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FY8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-SEP-00. REMARK 100 THE DEPOSITION ID IS D_1000012007. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-MAY-97 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 : R-AXIS REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 160328 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.2 REMARK 200 DATA REDUNDANCY : 4.900 REMARK 200 R MERGE (I) : 0.05900 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.83 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.91 REMARK 200 COMPLETENESS FOR SHELL (%) : 74.1 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.10000 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: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, LITHIUM SULFATE, TRIS, PH REMARK 280 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K 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 41.37333 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 20.68667 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 20.68667 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 41.37333 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: 2080 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11650 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -62.0 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 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 VAL E 149 REMARK 465 ASN E 150 REMARK 465 GLU E 151 REMARK 465 GLY I 57 REMARK 465 ALA I 58 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 C MET E 180 O HOH E 567 0.44 REMARK 500 C ASN E 93 O HOH E 701 0.44 REMARK 500 N VAL E 181 O HOH E 567 0.93 REMARK 500 O ASN E 93 O HOH E 701 1.03 REMARK 500 CE2 TYR E 234 O HOH E 655 1.05 REMARK 500 CZ TYR E 234 O HOH E 655 1.13 REMARK 500 O MET I 52 O HOH I 622 1.20 REMARK 500 N PHE E 94 O HOH E 701 1.52 REMARK 500 O MET E 180 O HOH E 567 1.59 REMARK 500 CA MET E 180 O HOH E 567 1.64 REMARK 500 CA ASN E 93 O HOH E 701 1.72 REMARK 500 CE1 TYR E 234 O HOH E 646 1.75 REMARK 500 C MET I 52 O HOH I 622 1.80 REMARK 500 O HOH E 635 O HOH E 690 1.83 REMARK 500 N GLY I 56 O HOH I 622 1.83 REMARK 500 OH TYR E 234 O HOH E 655 1.89 REMARK 500 CB ALA I 40 O HOH I 611 1.93 REMARK 500 CD2 TYR E 234 O HOH E 655 2.12 REMARK 500 CA VAL E 181 O HOH E 567 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CD1 ILE E 89 O HOH E 545 6444 1.76 REMARK 500 CD1 LEU E 105 O HOH E 556 6444 1.77 REMARK 500 O HOH E 617 O HOH E 712 6444 1.82 REMARK 500 OE2 GLU I 7 O HOH I 633 6344 1.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG E 96 NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG E 96 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG I 17 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES 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 -63.87 -132.96 REMARK 500 ASP E 153 -60.92 -135.72 REMARK 500 SER E 214 -72.29 -123.69 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 ASN E 72 O 90.7 REMARK 620 3 VAL E 75 O 158.6 84.9 REMARK 620 4 GLU E 77 OE1 96.3 87.7 104.4 REMARK 620 5 GLU E 80 OE2 102.7 162.2 86.6 79.2 REMARK 620 6 HOH E 524 O 76.2 102.3 84.3 167.4 92.4 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 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: 1F7Z RELATED DB: PDB REMARK 900 1F7Z IS THE CRYSTAL STRUCTURE OF K15A TRYPSINOGEN COMPLEXED WITH REMARK 900 BPTI 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: 3TGK RELATED DB: PDB REMARK 900 3TGK IS THE CRYSTAL STRUCTURE OF DELTAI16V17/D194N TRYPSINOGEN REMARK 900 COMPLEXED WITH BPTI DBREF 1FY8 E 6 245 UNP P00763 TRY2_RAT 14 246 DBREF 1FY8 I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQADV 1FY8 GLU E 6 UNP P00763 VAL 14 CONFLICT SEQADV 1FY8 E UNP P00763 ILE 24 DELETION SEQADV 1FY8 E UNP P00763 VAL 25 DELETION 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 ASP 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 58 ARG PRO ASP PHE CYS LEU GLU PRO PRO TYR THR GLY PRO SEQRES 2 I 58 CYS LYS ALA ARG ILE ILE ARG TYR PHE TYR ASN ALA LYS SEQRES 3 I 58 ALA GLY LEU CYS GLN THR PHE VAL TYR GLY GLY CYS ARG SEQRES 4 I 58 ALA LYS ARG ASN ASN PHE LYS SER ALA GLU ASP CYS MET SEQRES 5 I 58 ARG THR CYS GLY GLY ALA HET 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 *218(H2 O) HELIX 1 1 ALA E 55 TYR E 59 5 5 HELIX 2 2 PRO E 164 TYR E 172 1 9 HELIX 3 3 TYR E 234 ASN E 245 1 12 HELIX 4 4 PRO I 2 GLU I 7 5 6 HELIX 5 5 SER I 47 GLY I 56 1 10 SHEET 1 A 7 TYR E 20 THR E 21 0 SHEET 2 A 7 GLN E 156 PRO E 161 -1 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 2.03 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.02 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 2.02 LINK OE1 GLU E 70 CA CA E 500 1555 1555 2.28 LINK O ASN E 72 CA CA E 500 1555 1555 2.40 LINK O VAL E 75 CA CA E 500 1555 1555 2.33 LINK OE1 GLU E 77 CA CA E 500 1555 1555 2.56 LINK OE2 GLU E 80 CA CA E 500 1555 1555 2.28 LINK CA CA E 500 O HOH E 524 1555 1555 2.46 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 524 SITE 1 AC2 4 GLU I 7 ARG I 42 HOH I 538 HOH I 661 SITE 1 AC3 5 GLN E 239 ARG I 20 TYR I 35 HOH I 611 SITE 2 AC3 5 HOH I 717 SITE 1 AC4 2 LYS E 60 ARG I 20 CRYST1 92.600 92.600 62.060 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 0.010799 0.006235 0.000000 0.00000 SCALE2 0.000000 0.012470 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016113 0.00000 ATOM 1 N ASP E 14 -27.542 -82.609 -2.010 1.00 50.84 N ATOM 2 CA ASP E 14 -26.052 -82.569 -2.097 1.00 49.84 C ATOM 3 C ASP E 14 -25.382 -83.487 -1.066 1.00 46.44 C ATOM 4 O ASP E 14 -26.028 -83.921 -0.103 1.00 46.72 O ATOM 5 CB ASP E 14 -25.574 -81.121 -1.962 1.00 54.18 C ATOM 6 CG ASP E 14 -25.998 -80.263 -3.156 1.00 59.80 C ATOM 7 OD1 ASP E 14 -26.460 -80.865 -4.157 1.00 61.91 O ATOM 8 OD2 ASP E 14 -25.874 -79.018 -3.104 1.00 63.29 O ATOM 9 N LYS E 15 -24.090 -83.760 -1.253 1.00 41.17 N ATOM 10 CA LYS E 15 -23.355 -84.667 -0.367 1.00 35.90 C ATOM 11 C LYS E 15 -22.969 -84.137 1.020 1.00 33.07 C ATOM 12 O LYS E 15 -22.331 -84.848 1.818 1.00 32.18 O ATOM 13 CB LYS E 15 -22.101 -85.185 -1.091 1.00 33.12 C ATOM 14 CG LYS E 15 -20.891 -84.258 -1.105 1.00 30.27 C ATOM 15 CD LYS E 15 -19.781 -84.852 -1.985 1.00 26.75 C ATOM 16 CE LYS E 15 -18.447 -84.187 -1.701 1.00 26.87 C ATOM 17 NZ LYS E 15 -17.375 -84.592 -2.630 1.00 22.45 N ATOM 18 N GLY E 18 -23.330 -82.889 1.304 1.00 29.84 N ATOM 19 CA GLY E 18 -23.054 -82.314 2.609 1.00 26.94 C ATOM 20 C GLY E 18 -21.707 -81.681 2.891 1.00 25.05 C ATOM 21 O GLY E 18 -21.467 -81.258 4.017 1.00 26.33 O ATOM 22 N GLY E 19 -20.824 -81.608 1.904 1.00 23.37 N ATOM 23 CA GLY E 19 -19.538 -80.985 2.160 1.00 20.33 C ATOM 24 C GLY E 19 -19.625 -79.479 1.995 1.00 18.80 C ATOM 25 O GLY E 19 -20.716 -78.912 1.860 1.00 20.17 O ATOM 26 N TYR E 20 -18.476 -78.821 2.023 1.00 14.85 N ATOM 27 CA TYR E 20 -18.423 -77.384 1.838 1.00 13.10 C ATOM 28 C TYR E 20 -17.318 -77.175 0.841 1.00 13.11 C ATOM 29 O TYR E 20 -16.431 -78.010 0.709 1.00 11.98 O ATOM 30 CB TYR E 20 -18.087 -76.652 3.147 1.00 14.33 C ATOM 31 CG TYR E 20 -16.849 -77.153 3.854 1.00 12.65 C ATOM 32 CD1 TYR E 20 -16.923 -78.211 4.766 1.00 12.49 C ATOM 33 CD2 TYR E 20 -15.606 -76.569 3.626 1.00 12.49 C ATOM 34 CE1 TYR E 20 -15.792 -78.672 5.429 1.00 9.44 C ATOM 35 CE2 TYR E 20 -14.471 -77.025 4.284 1.00 10.81 C ATOM 36 CZ TYR E 20 -14.574 -78.076 5.182 1.00 8.99 C ATOM 37 OH TYR E 20 -13.450 -78.538 5.818 1.00 11.51 O ATOM 38 N THR E 21 -17.371 -76.067 0.121 1.00 13.80 N ATOM 39 CA THR E 21 -16.337 -75.789 -0.853 1.00 13.32 C ATOM 40 C THR E 21 -15.023 -75.526 -0.134 1.00 12.48 C ATOM 41 O THR E 21 -14.953 -74.704 0.771 1.00 12.48 O ATOM 42 CB THR E 21 -16.713 -74.572 -1.726 1.00 15.65 C ATOM 43 OG1 THR E 21 -17.967 -74.829 -2.370 1.00 16.44 O ATOM 44 CG2 THR E 21 -15.638 -74.312 -2.788 1.00 14.36 C ATOM 45 N CYS E 22 -13.984 -76.251 -0.526 1.00 11.43 N ATOM 46 CA CYS E 22 -12.675 -76.074 0.075 1.00 10.80 C ATOM 47 C CYS E 22 -12.160 -74.692 -0.257 1.00 13.16 C ATOM 48 O CYS E 22 -12.515 -74.104 -1.279 1.00 12.85 O ATOM 49 CB CYS E 22 -11.659 -77.074 -0.483 1.00 9.96 C ATOM 50 SG CYS E 22 -12.146 -78.818 -0.470 1.00 10.32 S ATOM 51 N GLN E 23 -11.318 -74.172 0.620 1.00 14.14 N ATOM 52 CA GLN E 23 -10.704 -72.883 0.379 1.00 15.55 C ATOM 53 C GLN E 23 -9.790 -73.171 -0.822 1.00 16.00 C ATOM 54 O GLN E 23 -9.123 -74.206 -0.855 1.00 14.87 O ATOM 55 CB GLN E 23 -9.886 -72.472 1.599 1.00 16.07 C ATOM 56 CG GLN E 23 -8.989 -71.287 1.376 1.00 19.34 C ATOM 57 CD GLN E 23 -8.327 -70.848 2.652 1.00 21.94 C ATOM 58 OE1 GLN E 23 -7.705 -71.654 3.351 1.00 22.33 O ATOM 59 NE2 GLN E 23 -8.459 -69.566 2.974 1.00 22.51 N ATOM 60 N GLU E 24 -9.781 -72.278 -1.810 1.00 16.64 N ATOM 61 CA GLU E 24 -8.963 -72.471 -3.005 1.00 17.41 C ATOM 62 C GLU E 24 -7.535 -72.907 -2.693 1.00 16.60 C ATOM 63 O GLU E 24 -6.832 -72.265 -1.910 1.00 14.74 O ATOM 64 CB GLU E 24 -8.938 -71.191 -3.857 1.00 21.22 C ATOM 65 CG GLU E 24 -8.337 -71.408 -5.246 1.00 30.37 C ATOM 66 CD GLU E 24 -8.328 -70.150 -6.117 1.00 35.70 C ATOM 67 OE1 GLU E 24 -8.744 -69.076 -5.625 1.00 37.99 O ATOM 68 OE2 GLU E 24 -7.904 -70.240 -7.297 1.00 37.34 O ATOM 69 N ASN E 25 -7.125 -74.007 -3.326 1.00 16.37 N ATOM 70 CA ASN E 25 -5.793 -74.594 -3.177 1.00 16.64 C ATOM 71 C ASN E 25 -5.383 -74.961 -1.752 1.00 16.41 C ATOM 72 O ASN E 25 -4.187 -75.025 -1.453 1.00 16.45 O ATOM 73 CB ASN E 25 -4.728 -73.669 -3.778 1.00 19.99 C ATOM 74 CG ASN E 25 -5.095 -73.179 -5.165 1.00 21.94 C ATOM 75 OD1 ASN E 25 -5.434 -72.011 -5.349 1.00 25.28 O ATOM 76 ND2 ASN E 25 -5.030 -74.067 -6.148 1.00 21.59 N ATOM 77 N SER E 26 -6.361 -75.214 -0.881 1.00 14.37 N ATOM 78 CA SER E 26 -6.068 -75.589 0.503 1.00 13.02 C ATOM 79 C SER E 26 -5.793 -77.092 0.629 1.00 11.97 C ATOM 80 O SER E 26 -5.391 -77.570 1.689 1.00 10.92 O ATOM 81 CB SER E 26 -7.217 -75.184 1.438 1.00 12.53 C ATOM 82 OG SER E 26 -8.432 -75.821 1.099 1.00 10.65 O ATOM 83 N VAL E 27 -6.007 -77.821 -0.466 1.00 10.72 N ATOM 84 CA VAL E 27 -5.762 -79.267 -0.536 1.00 10.05 C ATOM 85 C VAL E 27 -4.860 -79.425 -1.765 1.00 10.21 C ATOM 86 O VAL E 27 -5.281 -79.950 -2.798 1.00 9.71 O ATOM 87 CB VAL E 27 -7.077 -80.045 -0.758 1.00 8.44 C ATOM 88 CG1 VAL E 27 -6.837 -81.517 -0.542 1.00 7.37 C ATOM 89 CG2 VAL E 27 -8.161 -79.535 0.194 1.00 9.63 C ATOM 90 N PRO E 28 -3.593 -78.994 -1.651 1.00 9.65 N ATOM 91 CA PRO E 28 -2.622 -79.052 -2.745 1.00 9.27 C ATOM 92 C PRO E 28 -2.216 -80.412 -3.294 1.00 8.84 C ATOM 93 O PRO E 28 -1.645 -80.481 -4.380 1.00 8.17 O ATOM 94 CB PRO E 28 -1.425 -78.261 -2.204 1.00 10.45 C ATOM 95 CG PRO E 28 -1.511 -78.432 -0.734 1.00 10.54 C ATOM 96 CD PRO E 28 -2.984 -78.468 -0.413 1.00 10.27 C ATOM 97 N TYR E 29 -2.498 -81.483 -2.554 1.00 8.44 N ATOM 98 CA TYR E 29 -2.144 -82.835 -2.986 1.00 7.50 C ATOM 99 C TYR E 29 -3.259 -83.491 -3.798 1.00 7.43 C ATOM 100 O TYR E 29 -3.084 -84.576 -4.341 1.00 8.30 O ATOM 101 CB TYR E 29 -1.831 -83.711 -1.767 1.00 7.37 C ATOM 102 CG TYR E 29 -2.844 -83.590 -0.657 1.00 6.70 C ATOM 103 CD1 TYR E 29 -4.018 -84.343 -0.670 1.00 6.40 C ATOM 104 CD2 TYR E 29 -2.636 -82.712 0.408 1.00 7.98 C ATOM 105 CE1 TYR E 29 -4.966 -84.223 0.353 1.00 7.83 C ATOM 106 CE2 TYR E 29 -3.575 -82.581 1.437 1.00 8.88 C ATOM 107 CZ TYR E 29 -4.738 -83.334 1.403 1.00 7.61 C ATOM 108 OH TYR E 29 -5.684 -83.167 2.392 1.00 9.27 O ATOM 109 N GLN E 30 -4.407 -82.826 -3.872 1.00 6.79 N ATOM 110 CA GLN E 30 -5.545 -83.350 -4.612 1.00 6.97 C ATOM 111 C GLN E 30 -5.351 -83.238 -6.120 1.00 6.82 C ATOM 112 O GLN E 30 -4.926 -82.199 -6.625 1.00 8.89 O ATOM 113 CB GLN E 30 -6.816 -82.592 -4.221 1.00 6.81 C ATOM 114 CG GLN E 30 -8.036 -82.934 -5.069 1.00 6.85 C ATOM 115 CD GLN E 30 -8.765 -84.167 -4.574 1.00 7.78 C ATOM 116 OE1 GLN E 30 -9.096 -85.071 -5.353 1.00 11.31 O ATOM 117 NE2 GLN E 30 -9.022 -84.213 -3.279 1.00 6.70 N ATOM 118 N VAL E 31 -5.652 -84.311 -6.842 1.00 6.17 N ATOM 119 CA VAL E 31 -5.560 -84.265 -8.297 1.00 6.98 C ATOM 120 C VAL E 31 -6.875 -84.718 -8.900 1.00 6.67 C ATOM 121 O VAL E 31 -7.707 -85.333 -8.229 1.00 6.54 O ATOM 122 CB VAL E 31 -4.416 -85.165 -8.875 1.00 8.63 C ATOM 123 CG1 VAL E 31 -3.116 -84.874 -8.159 1.00 11.68 C ATOM 124 CG2 VAL E 31 -4.771 -86.626 -8.762 1.00 6.80 C ATOM 125 N SER E 32 -7.060 -84.381 -10.169 1.00 6.84 N ATOM 126 CA SER E 32 -8.243 -84.780 -10.911 1.00 7.09 C ATOM 127 C SER E 32 -7.756 -85.707 -12.021 1.00 7.27 C ATOM 128 O SER E 32 -6.782 -85.384 -12.700 1.00 7.44 O ATOM 129 CB SER E 32 -8.930 -83.557 -11.530 1.00 6.52 C ATOM 130 OG SER E 32 -9.846 -83.941 -12.542 1.00 7.89 O ATOM 131 N LEU E 33 -8.394 -86.870 -12.173 1.00 7.08 N ATOM 132 CA LEU E 33 -8.043 -87.806 -13.248 1.00 7.10 C ATOM 133 C LEU E 33 -9.040 -87.483 -14.366 1.00 6.45 C ATOM 134 O LEU E 33 -10.252 -87.486 -14.161 1.00 5.93 O ATOM 135 CB LEU E 33 -8.186 -89.261 -12.793 1.00 8.02 C ATOM 136 CG LEU E 33 -7.336 -89.662 -11.584 1.00 10.15 C ATOM 137 CD1 LEU E 33 -7.276 -91.176 -11.493 1.00 10.40 C ATOM 138 CD2 LEU E 33 -5.941 -89.075 -11.701 1.00 9.68 C ATOM 139 N ASN E 34 -8.509 -87.217 -15.551 1.00 6.36 N ATOM 140 CA ASN E 34 -9.309 -86.788 -16.689 1.00 7.86 C ATOM 141 C ASN E 34 -9.003 -87.582 -17.961 1.00 9.12 C ATOM 142 O ASN E 34 -7.844 -87.751 -18.329 1.00 9.03 O ATOM 143 CB ASN E 34 -9.004 -85.296 -16.914 1.00 6.82 C ATOM 144 CG ASN E 34 -9.938 -84.631 -17.904 1.00 7.47 C ATOM 145 OD1 ASN E 34 -9.995 -85.021 -19.071 1.00 10.47 O ATOM 146 ND2 ASN E 34 -10.682 -83.637 -17.443 1.00 6.19 N ATOM 147 N SER E 37 -10.043 -88.058 -18.634 1.00 9.85 N ATOM 148 CA SER E 37 -9.859 -88.800 -19.875 1.00 12.43 C ATOM 149 C SER E 37 -10.769 -88.204 -20.947 1.00 12.81 C ATOM 150 O SER E 37 -11.138 -88.876 -21.916 1.00 12.85 O ATOM 151 CB SER E 37 -10.197 -90.276 -19.666 1.00 13.56 C ATOM 152 OG SER E 37 -9.518 -91.065 -20.624 1.00 20.51 O ATOM 153 N GLY E 38 -11.102 -86.928 -20.756 1.00 11.14 N ATOM 154 CA GLY E 38 -11.994 -86.202 -21.643 1.00 11.78 C ATOM 155 C GLY E 38 -12.886 -85.385 -20.722 1.00 11.59 C ATOM 156 O GLY E 38 -13.413 -84.334 -21.083 1.00 12.33 O ATOM 157 N TYR E 39 -13.048 -85.902 -19.508 1.00 9.76 N ATOM 158 CA TYR E 39 -13.824 -85.265 -18.450 1.00 9.39 C ATOM 159 C TYR E 39 -13.330 -85.823 -17.118 1.00 7.97 C ATOM 160 O TYR E 39 -12.650 -86.847 -17.078 1.00 8.48 O ATOM 161 CB TYR E 39 -15.326 -85.534 -18.618 1.00 10.28 C ATOM 162 CG TYR E 39 -15.719 -86.999 -18.682 1.00 13.31 C ATOM 163 CD1 TYR E 39 -15.917 -87.745 -17.515 1.00 12.85 C ATOM 164 CD2 TYR E 39 -15.908 -87.636 -19.912 1.00 12.76 C ATOM 165 CE1 TYR E 39 -16.287 -89.085 -17.571 1.00 13.50 C ATOM 166 CE2 TYR E 39 -16.279 -88.978 -19.977 1.00 13.69 C ATOM 167 CZ TYR E 39 -16.466 -89.695 -18.802 1.00 14.23 C ATOM 168 OH TYR E 39 -16.821 -91.022 -18.852 1.00 13.81 O ATOM 169 N HIS E 40 -13.652 -85.138 -16.032 1.00 7.72 N ATOM 170 CA HIS E 40 -13.234 -85.585 -14.715 1.00 6.85 C ATOM 171 C HIS E 40 -14.018 -86.844 -14.355 1.00 6.07 C ATOM 172 O HIS E 40 -15.241 -86.838 -14.407 1.00 6.92 O ATOM 173 CB HIS E 40 -13.509 -84.496 -13.677 1.00 6.62 C ATOM 174 CG HIS E 40 -13.456 -84.990 -12.264 1.00 6.89 C ATOM 175 ND1 HIS E 40 -12.290 -85.007 -11.530 1.00 7.82 N ATOM 176 CD2 HIS E 40 -14.401 -85.556 -11.481 1.00 6.69 C ATOM 177 CE1 HIS E 40 -12.523 -85.558 -10.353 1.00 7.55 C ATOM 178 NE2 HIS E 40 -13.797 -85.902 -10.296 1.00 7.59 N ATOM 179 N PHE E 41 -13.326 -87.920 -13.989 1.00 6.77 N ATOM 180 CA PHE E 41 -14.012 -89.161 -13.629 1.00 6.67 C ATOM 181 C PHE E 41 -13.569 -89.754 -12.287 1.00 5.73 C ATOM 182 O PHE E 41 -14.246 -90.616 -11.740 1.00 5.72 O ATOM 183 CB PHE E 41 -13.856 -90.205 -14.755 1.00 5.82 C ATOM 184 CG PHE E 41 -12.463 -90.747 -14.910 1.00 6.43 C ATOM 185 CD1 PHE E 41 -11.541 -90.116 -15.742 1.00 6.09 C ATOM 186 CD2 PHE E 41 -12.067 -91.886 -14.216 1.00 7.00 C ATOM 187 CE1 PHE E 41 -10.244 -90.608 -15.881 1.00 7.11 C ATOM 188 CE2 PHE E 41 -10.765 -92.390 -14.348 1.00 8.03 C ATOM 189 CZ PHE E 41 -9.852 -91.746 -15.182 1.00 7.84 C ATOM 190 N CYS E 42 -12.443 -89.282 -11.757 1.00 6.09 N ATOM 191 CA CYS E 42 -11.911 -89.769 -10.479 1.00 5.74 C ATOM 192 C CYS E 42 -10.917 -88.774 -9.874 1.00 7.31 C ATOM 193 O CYS E 42 -10.404 -87.891 -10.571 1.00 7.39 O ATOM 194 CB CYS E 42 -11.174 -91.106 -10.674 1.00 4.15 C ATOM 195 SG CYS E 42 -12.204 -92.601 -10.564 1.00 6.91 S ATOM 196 N GLY E 43 -10.645 -88.931 -8.580 1.00 6.46 N ATOM 197 CA GLY E 43 -9.681 -88.076 -7.913 1.00 5.57 C ATOM 198 C GLY E 43 -8.431 -88.895 -7.643 1.00 6.07 C ATOM 199 O GLY E 43 -8.339 -90.059 -8.054 1.00 6.84 O ATOM 200 N GLY E 44 -7.468 -88.292 -6.956 1.00 5.43 N ATOM 201 CA GLY E 44 -6.230 -88.977 -6.626 1.00 5.35 C ATOM 202 C GLY E 44 -5.386 -88.102 -5.721 1.00 5.57 C ATOM 203 O GLY E 44 -5.754 -86.960 -5.450 1.00 6.21 O ATOM 204 N SER E 45 -4.257 -88.628 -5.259 1.00 6.65 N ATOM 205 CA SER E 45 -3.366 -87.884 -4.373 1.00 8.48 C ATOM 206 C SER E 45 -1.924 -87.941 -4.841 1.00 8.14 C ATOM 207 O SER E 45 -1.437 -89.002 -5.216 1.00 7.18 O ATOM 208 CB SER E 45 -3.432 -88.451 -2.953 1.00 9.10 C ATOM 209 OG SER E 45 -4.724 -88.296 -2.395 1.00 13.28 O ATOM 210 N LEU E 46 -1.245 -86.798 -4.798 1.00 7.85 N ATOM 211 CA LEU E 46 0.159 -86.718 -5.189 1.00 7.46 C ATOM 212 C LEU E 46 1.012 -87.116 -3.981 1.00 9.00 C ATOM 213 O LEU E 46 0.971 -86.439 -2.946 1.00 9.03 O ATOM 214 CB LEU E 46 0.509 -85.286 -5.621 1.00 7.69 C ATOM 215 CG LEU E 46 1.936 -85.106 -6.142 1.00 7.40 C ATOM 216 CD1 LEU E 46 2.038 -85.754 -7.506 1.00 6.10 C ATOM 217 CD2 LEU E 46 2.306 -83.631 -6.210 1.00 9.75 C ATOM 218 N ILE E 47 1.776 -88.205 -4.094 1.00 8.68 N ATOM 219 CA ILE E 47 2.597 -88.628 -2.961 1.00 11.90 C ATOM 220 C ILE E 47 4.079 -88.288 -3.092 1.00 12.83 C ATOM 221 O ILE E 47 4.832 -88.367 -2.129 1.00 14.21 O ATOM 222 CB ILE E 47 2.415 -90.133 -2.647 1.00 13.20 C ATOM 223 CG1 ILE E 47 2.588 -90.973 -3.908 1.00 13.94 C ATOM 224 CG2 ILE E 47 1.032 -90.360 -2.032 1.00 12.84 C ATOM 225 CD1 ILE E 47 2.676 -92.458 -3.615 1.00 16.23 C ATOM 226 N ASN E 48 4.498 -87.929 -4.294 1.00 13.87 N ATOM 227 CA ASN E 48 5.864 -87.487 -4.540 1.00 15.78 C ATOM 228 C ASN E 48 5.807 -86.784 -5.885 1.00 15.57 C ATOM 229 O ASN E 48 4.772 -86.824 -6.545 1.00 17.24 O ATOM 230 CB ASN E 48 6.876 -88.648 -4.474 1.00 18.53 C ATOM 231 CG ASN E 48 6.834 -89.560 -5.669 1.00 19.70 C ATOM 232 OD1 ASN E 48 6.779 -89.118 -6.811 1.00 22.22 O ATOM 233 ND2 ASN E 48 6.887 -90.859 -5.408 1.00 23.33 N ATOM 234 N ASP E 49 6.877 -86.127 -6.308 1.00 15.84 N ATOM 235 CA ASP E 49 6.795 -85.386 -7.562 1.00 16.56 C ATOM 236 C ASP E 49 6.540 -86.140 -8.872 1.00 15.68 C ATOM 237 O ASP E 49 6.336 -85.501 -9.907 1.00 15.78 O ATOM 238 CB ASP E 49 8.016 -84.465 -7.713 1.00 19.71 C ATOM 239 CG ASP E 49 9.272 -85.204 -8.146 1.00 21.09 C ATOM 240 OD1 ASP E 49 9.321 -86.449 -8.039 1.00 19.89 O ATOM 241 OD2 ASP E 49 10.217 -84.520 -8.598 1.00 24.99 O ATOM 242 N GLN E 50 6.512 -87.471 -8.845 1.00 13.35 N ATOM 243 CA GLN E 50 6.263 -88.219 -10.078 1.00 14.28 C ATOM 244 C GLN E 50 5.229 -89.337 -9.933 1.00 12.06 C ATOM 245 O GLN E 50 4.985 -90.094 -10.873 1.00 11.81 O ATOM 246 CB GLN E 50 7.579 -88.795 -10.620 1.00 17.60 C ATOM 247 CG GLN E 50 7.455 -89.386 -12.023 1.00 24.29 C ATOM 248 CD GLN E 50 8.685 -89.149 -12.895 1.00 27.42 C ATOM 249 OE1 GLN E 50 9.804 -89.025 -12.386 1.00 28.45 O ATOM 250 NE2 GLN E 50 8.483 -89.081 -14.208 1.00 24.35 N ATOM 251 N TRP E 51 4.609 -89.426 -8.761 1.00 11.49 N ATOM 252 CA TRP E 51 3.622 -90.476 -8.515 1.00 10.27 C ATOM 253 C TRP E 51 2.331 -90.014 -7.828 1.00 9.59 C ATOM 254 O TRP E 51 2.345 -89.161 -6.940 1.00 10.88 O ATOM 255 CB TRP E 51 4.250 -91.596 -7.680 1.00 9.70 C ATOM 256 CG TRP E 51 5.304 -92.399 -8.393 1.00 9.53 C ATOM 257 CD1 TRP E 51 6.627 -92.083 -8.516 1.00 11.10 C ATOM 258 CD2 TRP E 51 5.146 -93.699 -8.989 1.00 10.72 C ATOM 259 NE1 TRP E 51 7.299 -93.096 -9.164 1.00 11.05 N ATOM 260 CE2 TRP E 51 6.416 -94.100 -9.462 1.00 11.00 C ATOM 261 CE3 TRP E 51 4.047 -94.549 -9.195 1.00 8.50 C ATOM 262 CZ2 TRP E 51 6.622 -95.323 -10.113 1.00 10.91 C ATOM 263 CZ3 TRP E 51 4.258 -95.771 -9.826 1.00 9.26 C ATOM 264 CH2 TRP E 51 5.535 -96.141 -10.285 1.00 9.69 C ATOM 265 N VAL E 52 1.220 -90.608 -8.253 1.00 9.37 N ATOM 266 CA VAL E 52 -0.103 -90.324 -7.714 1.00 8.60 C ATOM 267 C VAL E 52 -0.721 -91.649 -7.277 1.00 8.21 C ATOM 268 O VAL E 52 -0.493 -92.684 -7.902 1.00 7.12 O ATOM 269 CB VAL E 52 -1.023 -89.685 -8.798 1.00 9.00 C ATOM 270 CG1 VAL E 52 -2.494 -89.740 -8.356 1.00 9.93 C ATOM 271 CG2 VAL E 52 -0.588 -88.250 -9.067 1.00 8.77 C ATOM 272 N VAL E 53 -1.483 -91.625 -6.191 1.00 8.37 N ATOM 273 CA VAL E 53 -2.151 -92.835 -5.736 1.00 9.68 C ATOM 274 C VAL E 53 -3.647 -92.591 -5.917 1.00 8.20 C ATOM 275 O VAL E 53 -4.133 -91.488 -5.685 1.00 7.44 O ATOM 276 CB VAL E 53 -1.824 -93.167 -4.250 1.00 11.70 C ATOM 277 CG1 VAL E 53 -2.338 -92.077 -3.329 1.00 13.56 C ATOM 278 CG2 VAL E 53 -2.451 -94.515 -3.876 1.00 14.88 C ATOM 279 N SER E 54 -4.367 -93.618 -6.354 1.00 6.83 N ATOM 280 CA SER E 54 -5.800 -93.517 -6.584 1.00 5.61 C ATOM 281 C SER E 54 -6.432 -94.888 -6.355 1.00 5.59 C ATOM 282 O SER E 54 -5.802 -95.782 -5.810 1.00 6.09 O ATOM 283 CB SER E 54 -6.053 -93.034 -8.022 1.00 4.82 C ATOM 284 OG SER E 54 -7.423 -92.752 -8.268 1.00 6.46 O ATOM 285 N ALA E 55 -7.681 -95.052 -6.760 1.00 6.32 N ATOM 286 CA ALA E 55 -8.359 -96.327 -6.580 1.00 6.62 C ATOM 287 C ALA E 55 -8.202 -97.160 -7.846 1.00 6.07 C ATOM 288 O ALA E 55 -8.154 -96.616 -8.951 1.00 6.88 O ATOM 289 CB ALA E 55 -9.834 -96.099 -6.278 1.00 5.65 C ATOM 290 N ALA E 56 -8.117 -98.477 -7.684 1.00 6.09 N ATOM 291 CA ALA E 56 -7.966 -99.369 -8.831 1.00 5.69 C ATOM 292 C ALA E 56 -9.184 -99.374 -9.752 1.00 5.54 C ATOM 293 O ALA E 56 -9.038 -99.598 -10.949 1.00 7.21 O ATOM 294 CB ALA E 56 -7.663-100.787 -8.363 1.00 7.34 C ATOM 295 N HIS E 57 -10.381 -99.131 -9.222 1.00 5.82 N ATOM 296 CA HIS E 57 -11.554 -99.125 -10.093 1.00 6.61 C ATOM 297 C HIS E 57 -11.610 -97.879 -10.983 1.00 7.65 C ATOM 298 O HIS E 57 -12.493 -97.749 -11.832 1.00 9.11 O ATOM 299 CB HIS E 57 -12.858 -99.328 -9.288 1.00 7.64 C ATOM 300 CG HIS E 57 -13.323 -98.122 -8.524 1.00 7.46 C ATOM 301 ND1 HIS E 57 -13.082 -97.964 -7.173 1.00 8.42 N ATOM 302 CD2 HIS E 57 -14.081 -97.067 -8.896 1.00 7.08 C ATOM 303 CE1 HIS E 57 -13.669 -96.861 -6.752 1.00 7.98 C ATOM 304 NE2 HIS E 57 -14.285 -96.294 -7.775 1.00 8.48 N ATOM 305 N CYS E 58 -10.634 -96.986 -10.808 1.00 7.90 N ATOM 306 CA CYS E 58 -10.527 -95.768 -11.617 1.00 8.74 C ATOM 307 C CYS E 58 -9.614 -96.015 -12.826 1.00 9.93 C ATOM 308 O CYS E 58 -9.288 -95.087 -13.567 1.00 11.02 O ATOM 309 CB CYS E 58 -9.937 -94.620 -10.800 1.00 8.04 C ATOM 310 SG CYS E 58 -11.061 -93.937 -9.555 1.00 8.26 S ATOM 311 N TYR E 59 -9.195 -97.263 -13.017 1.00 9.79 N ATOM 312 CA TYR E 59 -8.320 -97.601 -14.132 1.00 10.55 C ATOM 313 C TYR E 59 -8.911 -97.287 -15.498 1.00 8.41 C ATOM 314 O TYR E 59 -10.080 -97.541 -15.755 1.00 9.57 O ATOM 315 CB TYR E 59 -7.947 -99.091 -14.110 1.00 10.41 C ATOM 316 CG TYR E 59 -7.240 -99.519 -15.385 1.00 13.20 C ATOM 317 CD1 TYR E 59 -5.865 -99.336 -15.533 1.00 14.22 C ATOM 318 CD2 TYR E 59 -7.958-100.043 -16.463 1.00 13.99 C ATOM 319 CE1 TYR E 59 -5.220 -99.659 -16.730 1.00 15.22 C ATOM 320 CE2 TYR E 59 -7.324-100.368 -17.662 1.00 14.74 C ATOM 321 CZ TYR E 59 -5.955-100.171 -17.790 1.00 16.70 C ATOM 322 OH TYR E 59 -5.326-100.461 -18.984 1.00 18.82 O ATOM 323 N LYS E 60 -8.069 -96.736 -16.363 1.00 11.07 N ATOM 324 CA LYS E 60 -8.411 -96.426 -17.750 1.00 11.93 C ATOM 325 C LYS E 60 -7.070 -96.509 -18.466 1.00 12.21 C ATOM 326 O LYS E 60 -6.033 -96.230 -17.860 1.00 11.25 O ATOM 327 CB LYS E 60 -9.012 -95.030 -17.884 1.00 13.88 C ATOM 328 CG LYS E 60 -10.516 -95.027 -17.721 1.00 14.80 C ATOM 329 CD LYS E 60 -11.129 -93.720 -18.159 1.00 18.62 C ATOM 330 CE LYS E 60 -12.410 -93.466 -17.399 1.00 20.15 C ATOM 331 NZ LYS E 60 -13.493 -93.011 -18.299 1.00 26.12 N ATOM 332 N SER E 61 -7.076 -96.912 -19.736 1.00 13.56 N ATOM 333 CA SER E 61 -5.825 -97.049 -20.484 1.00 16.02 C ATOM 334 C SER E 61 -5.098 -95.722 -20.701 1.00 15.20 C ATOM 335 O SER E 61 -3.870 -95.683 -20.737 1.00 17.03 O ATOM 336 CB SER E 61 -6.074 -97.741 -21.835 1.00 16.63 C ATOM 337 OG SER E 61 -6.962 -97.000 -22.655 1.00 21.75 O ATOM 338 N ARG E 62 -5.853 -94.639 -20.845 1.00 15.78 N ATOM 339 CA ARG E 62 -5.262 -93.317 -21.040 1.00 17.05 C ATOM 340 C ARG E 62 -5.806 -92.360 -19.987 1.00 14.08 C ATOM 341 O ARG E 62 -7.018 -92.164 -19.878 1.00 11.33 O ATOM 342 CB ARG E 62 -5.578 -92.792 -22.439 1.00 21.89 C ATOM 343 CG ARG E 62 -4.480 -93.080 -23.438 1.00 31.08 C ATOM 344 CD ARG E 62 -4.786 -92.489 -24.801 1.00 36.93 C ATOM 345 NE ARG E 62 -4.543 -93.464 -25.860 1.00 44.14 N ATOM 346 CZ ARG E 62 -5.503 -94.154 -26.474 1.00 48.04 C ATOM 347 NH1 ARG E 62 -6.777 -93.972 -26.140 1.00 49.29 N ATOM 348 NH2 ARG E 62 -5.189 -95.032 -27.421 1.00 51.03 N ATOM 349 N ILE E 63 -4.903 -91.772 -19.208 1.00 12.61 N ATOM 350 CA ILE E 63 -5.299 -90.851 -18.146 1.00 10.77 C ATOM 351 C ILE E 63 -4.431 -89.605 -18.102 1.00 10.64 C ATOM 352 O ILE E 63 -3.204 -89.692 -18.155 1.00 11.11 O ATOM 353 CB ILE E 63 -5.187 -91.513 -16.740 1.00 10.71 C ATOM 354 CG1 ILE E 63 -6.102 -92.735 -16.642 1.00 10.01 C ATOM 355 CG2 ILE E 63 -5.544 -90.503 -15.660 1.00 11.64 C ATOM 356 CD1 ILE E 63 -5.913 -93.510 -15.358 1.00 9.99 C ATOM 357 N GLN E 64 -5.071 -88.446 -18.005 1.00 9.02 N ATOM 358 CA GLN E 64 -4.339 -87.197 -17.876 1.00 8.38 C ATOM 359 C GLN E 64 -4.577 -86.736 -16.439 1.00 7.98 C ATOM 360 O GLN E 64 -5.717 -86.725 -15.962 1.00 7.76 O ATOM 361 CB GLN E 64 -4.855 -86.135 -18.850 1.00 7.27 C ATOM 362 CG GLN E 64 -4.163 -84.786 -18.662 1.00 9.70 C ATOM 363 CD GLN E 64 -4.621 -83.752 -19.659 1.00 10.53 C ATOM 364 OE1 GLN E 64 -5.709 -83.192 -19.537 1.00 16.03 O ATOM 365 NE2 GLN E 64 -3.789 -83.485 -20.648 1.00 9.40 N ATOM 366 N VAL E 66 -3.503 -86.374 -15.749 1.00 7.26 N ATOM 367 CA VAL E 66 -3.600 -85.915 -14.370 1.00 8.30 C ATOM 368 C VAL E 66 -3.576 -84.396 -14.336 1.00 8.26 C ATOM 369 O VAL E 66 -2.723 -83.772 -14.955 1.00 8.73 O ATOM 370 CB VAL E 66 -2.426 -86.462 -13.530 1.00 10.33 C ATOM 371 CG1 VAL E 66 -2.540 -85.996 -12.081 1.00 8.12 C ATOM 372 CG2 VAL E 66 -2.408 -87.983 -13.608 1.00 10.06 C ATOM 373 N ARG E 67 -4.520 -83.800 -13.620 1.00 7.67 N ATOM 374 CA ARG E 67 -4.572 -82.346 -13.523 1.00 9.01 C ATOM 375 C ARG E 67 -4.324 -81.912 -12.087 1.00 8.82 C ATOM 376 O ARG E 67 -5.089 -82.243 -11.179 1.00 10.11 O ATOM 377 CB ARG E 67 -5.923 -81.832 -14.042 1.00 10.23 C ATOM 378 CG ARG E 67 -6.056 -82.020 -15.557 1.00 11.82 C ATOM 379 CD ARG E 67 -7.425 -81.690 -16.109 1.00 11.63 C ATOM 380 NE ARG E 67 -7.458 -81.962 -17.550 1.00 12.32 N ATOM 381 CZ ARG E 67 -8.315 -81.417 -18.410 1.00 10.73 C ATOM 382 NH1 ARG E 67 -9.213 -80.539 -17.988 1.00 9.89 N ATOM 383 NH2 ARG E 67 -8.243 -81.719 -19.706 1.00 12.19 N ATOM 384 N LEU E 68 -3.229 -81.189 -11.891 1.00 8.42 N ATOM 385 CA LEU E 68 -2.835 -80.718 -10.572 1.00 9.98 C ATOM 386 C LEU E 68 -3.040 -79.210 -10.418 1.00 10.58 C ATOM 387 O LEU E 68 -3.130 -78.484 -11.407 1.00 10.49 O ATOM 388 CB LEU E 68 -1.367 -81.080 -10.326 1.00 12.11 C ATOM 389 CG LEU E 68 -1.011 -82.551 -10.590 1.00 11.74 C ATOM 390 CD1 LEU E 68 -0.414 -82.716 -11.979 1.00 13.13 C ATOM 391 CD2 LEU E 68 -0.039 -83.028 -9.536 1.00 13.86 C ATOM 392 N GLY E 69 -3.132 -78.757 -9.170 1.00 10.19 N ATOM 393 CA GLY E 69 -3.316 -77.343 -8.887 1.00 10.33 C ATOM 394 C GLY E 69 -4.688 -76.802 -9.238 1.00 11.10 C ATOM 395 O GLY E 69 -4.855 -75.600 -9.431 1.00 12.80 O ATOM 396 N GLU E 70 -5.674 -77.689 -9.301 1.00 10.00 N ATOM 397 CA GLU E 70 -7.041 -77.324 -9.661 1.00 10.20 C ATOM 398 C GLU E 70 -7.931 -76.887 -8.503 1.00 11.87 C ATOM 399 O GLU E 70 -7.741 -77.307 -7.363 1.00 11.79 O ATOM 400 CB GLU E 70 -7.745 -78.519 -10.331 1.00 8.40 C ATOM 401 CG GLU E 70 -7.246 -78.893 -11.715 1.00 9.07 C ATOM 402 CD GLU E 70 -7.920 -78.078 -12.803 1.00 12.11 C ATOM 403 OE1 GLU E 70 -8.456 -76.994 -12.471 1.00 10.60 O ATOM 404 OE2 GLU E 70 -7.916 -78.516 -13.979 1.00 12.07 O ATOM 405 N HIS E 71 -8.900 -76.030 -8.812 1.00 12.00 N ATOM 406 CA HIS E 71 -9.905 -75.633 -7.839 1.00 11.55 C ATOM 407 C HIS E 71 -11.217 -75.766 -8.604 1.00 10.79 C ATOM 408 O HIS E 71 -12.061 -76.589 -8.262 1.00 12.00 O ATOM 409 CB HIS E 71 -9.740 -74.207 -7.327 1.00 11.99 C ATOM 410 CG HIS E 71 -10.722 -73.871 -6.244 1.00 13.05 C ATOM 411 ND1 HIS E 71 -10.872 -74.656 -5.125 1.00 15.36 N ATOM 412 CD2 HIS E 71 -11.650 -72.894 -6.153 1.00 14.67 C ATOM 413 CE1 HIS E 71 -11.858 -74.175 -4.383 1.00 15.61 C ATOM 414 NE2 HIS E 71 -12.346 -73.108 -4.982 1.00 15.18 N ATOM 415 N ASN E 72 -11.375 -74.960 -9.651 1.00 10.11 N ATOM 416 CA ASN E 72 -12.559 -75.024 -10.509 1.00 10.43 C ATOM 417 C ASN E 72 -12.103 -75.820 -11.735 1.00 10.30 C ATOM 418 O ASN E 72 -11.332 -75.318 -12.552 1.00 9.89 O ATOM 419 CB ASN E 72 -12.992 -73.617 -10.936 1.00 11.21 C ATOM 420 CG ASN E 72 -14.282 -73.614 -11.735 1.00 13.17 C ATOM 421 OD1 ASN E 72 -14.650 -74.630 -12.330 1.00 17.97 O ATOM 422 ND2 ASN E 72 -14.978 -72.480 -11.754 1.00 10.26 N ATOM 423 N ILE E 73 -12.564 -77.059 -11.868 1.00 10.95 N ATOM 424 CA ILE E 73 -12.129 -77.879 -12.993 1.00 11.46 C ATOM 425 C ILE E 73 -12.700 -77.486 -14.353 1.00 11.72 C ATOM 426 O ILE E 73 -12.311 -78.059 -15.372 1.00 11.73 O ATOM 427 CB ILE E 73 -12.406 -79.386 -12.748 1.00 10.75 C ATOM 428 CG1 ILE E 73 -13.875 -79.620 -12.424 1.00 10.53 C ATOM 429 CG2 ILE E 73 -11.516 -79.896 -11.631 1.00 11.51 C ATOM 430 CD1 ILE E 73 -14.225 -81.097 -12.298 1.00 13.80 C ATOM 431 N ASN E 74 -13.597 -76.502 -14.377 1.00 10.91 N ATOM 432 CA ASN E 74 -14.187 -76.066 -15.637 1.00 13.21 C ATOM 433 C ASN E 74 -13.613 -74.753 -16.187 1.00 12.76 C ATOM 434 O ASN E 74 -13.984 -74.311 -17.278 1.00 13.60 O ATOM 435 CB ASN E 74 -15.705 -75.945 -15.479 1.00 14.93 C ATOM 436 CG ASN E 74 -16.366 -77.279 -15.172 1.00 17.27 C ATOM 437 OD1 ASN E 74 -15.931 -78.328 -15.647 1.00 18.77 O ATOM 438 ND2 ASN E 74 -17.419 -77.243 -14.372 1.00 20.09 N ATOM 439 N VAL E 75 -12.697 -74.141 -15.446 1.00 12.40 N ATOM 440 CA VAL E 75 -12.098 -72.880 -15.866 1.00 12.55 C ATOM 441 C VAL E 75 -10.579 -72.917 -15.757 1.00 12.89 C ATOM 442 O VAL E 75 -10.046 -73.428 -14.778 1.00 12.87 O ATOM 443 CB VAL E 75 -12.609 -71.727 -14.986 1.00 14.14 C ATOM 444 CG1 VAL E 75 -11.957 -70.427 -15.400 1.00 17.56 C ATOM 445 CG2 VAL E 75 -14.106 -71.625 -15.093 1.00 15.30 C ATOM 446 N LEU E 76 -9.883 -72.386 -16.758 1.00 11.30 N ATOM 447 CA LEU E 76 -8.424 -72.345 -16.725 1.00 14.00 C ATOM 448 C LEU E 76 -8.079 -71.183 -15.804 1.00 16.17 C ATOM 449 O LEU E 76 -8.243 -70.023 -16.179 1.00 17.42 O ATOM 450 CB LEU E 76 -7.862 -72.104 -18.130 1.00 14.93 C ATOM 451 CG LEU E 76 -6.361 -72.312 -18.323 1.00 15.13 C ATOM 452 CD1 LEU E 76 -6.010 -73.781 -18.112 1.00 18.79 C ATOM 453 CD2 LEU E 76 -5.967 -71.859 -19.720 1.00 14.36 C ATOM 454 N GLU E 77 -7.607 -71.513 -14.601 1.00 17.63 N ATOM 455 CA GLU E 77 -7.276 -70.533 -13.561 1.00 18.74 C ATOM 456 C GLU E 77 -5.859 -69.985 -13.536 1.00 19.53 C ATOM 457 O GLU E 77 -5.628 -68.919 -12.966 1.00 21.65 O ATOM 458 CB GLU E 77 -7.581 -71.117 -12.175 1.00 16.99 C ATOM 459 CG GLU E 77 -9.049 -71.400 -11.923 1.00 17.55 C ATOM 460 CD GLU E 77 -9.257 -72.544 -10.945 1.00 17.20 C ATOM 461 OE1 GLU E 77 -8.680 -73.631 -11.164 1.00 16.23 O ATOM 462 OE2 GLU E 77 -9.996 -72.357 -9.958 1.00 18.47 O ATOM 463 N GLY E 78 -4.908 -70.706 -14.115 1.00 19.75 N ATOM 464 CA GLY E 78 -3.541 -70.217 -14.110 1.00 21.90 C ATOM 465 C GLY E 78 -2.513 -71.015 -13.316 1.00 22.98 C ATOM 466 O GLY E 78 -1.327 -70.947 -13.635 1.00 24.66 O ATOM 467 N ASN E 79 -2.935 -71.755 -12.288 1.00 22.88 N ATOM 468 CA ASN E 79 -1.989 -72.550 -11.493 1.00 23.44 C ATOM 469 C ASN E 79 -2.047 -74.057 -11.786 1.00 21.29 C ATOM 470 O ASN E 79 -1.421 -74.849 -11.082 1.00 21.39 O ATOM 471 CB ASN E 79 -2.222 -72.358 -9.984 1.00 27.65 C ATOM 472 CG ASN E 79 -2.413 -70.903 -9.585 1.00 30.30 C ATOM 473 OD1 ASN E 79 -3.512 -70.499 -9.196 1.00 31.48 O ATOM 474 ND2 ASN E 79 -1.342 -70.114 -9.661 1.00 31.89 N ATOM 475 N GLU E 80 -2.791 -74.457 -12.815 1.00 18.01 N ATOM 476 CA GLU E 80 -2.923 -75.876 -13.152 1.00 14.28 C ATOM 477 C GLU E 80 -1.727 -76.477 -13.880 1.00 14.11 C ATOM 478 O GLU E 80 -1.010 -75.789 -14.606 1.00 14.84 O ATOM 479 CB GLU E 80 -4.169 -76.111 -14.022 1.00 12.53 C ATOM 480 CG GLU E 80 -5.462 -75.657 -13.411 1.00 11.84 C ATOM 481 CD GLU E 80 -5.897 -74.307 -13.933 1.00 11.60 C ATOM 482 OE1 GLU E 80 -5.045 -73.574 -14.476 1.00 13.79 O ATOM 483 OE2 GLU E 80 -7.088 -73.979 -13.796 1.00 12.00 O ATOM 484 N GLN E 81 -1.514 -77.771 -13.670 1.00 11.69 N ATOM 485 CA GLN E 81 -0.459 -78.493 -14.359 1.00 11.05 C ATOM 486 C GLN E 81 -1.160 -79.723 -14.919 1.00 10.93 C ATOM 487 O GLN E 81 -1.873 -80.415 -14.197 1.00 10.60 O ATOM 488 CB GLN E 81 0.667 -78.896 -13.397 1.00 12.09 C ATOM 489 CG GLN E 81 1.612 -77.746 -13.046 1.00 13.20 C ATOM 490 CD GLN E 81 2.718 -78.147 -12.091 1.00 12.78 C ATOM 491 OE1 GLN E 81 3.489 -79.063 -12.367 1.00 17.07 O ATOM 492 NE2 GLN E 81 2.803 -77.455 -10.960 1.00 14.75 N ATOM 493 N PHE E 82 -0.991 -79.952 -16.218 1.00 11.79 N ATOM 494 CA PHE E 82 -1.590 -81.089 -16.918 1.00 13.11 C ATOM 495 C PHE E 82 -0.450 -82.043 -17.275 1.00 13.06 C ATOM 496 O PHE E 82 0.488 -81.664 -17.972 1.00 12.85 O ATOM 497 CB PHE E 82 -2.286 -80.635 -18.213 1.00 15.79 C ATOM 498 CG PHE E 82 -3.365 -79.593 -18.016 1.00 18.07 C ATOM 499 CD1 PHE E 82 -3.071 -78.353 -17.455 1.00 20.11 C ATOM 500 CD2 PHE E 82 -4.672 -79.847 -18.424 1.00 18.45 C ATOM 501 CE1 PHE E 82 -4.064 -77.381 -17.303 1.00 21.60 C ATOM 502 CE2 PHE E 82 -5.674 -78.885 -18.278 1.00 19.54 C ATOM 503 CZ PHE E 82 -5.372 -77.650 -17.716 1.00 22.37 C ATOM 504 N VAL E 83 -0.529 -83.279 -16.801 1.00 12.27 N ATOM 505 CA VAL E 83 0.520 -84.260 -17.059 1.00 12.20 C ATOM 506 C VAL E 83 -0.084 -85.626 -17.347 1.00 11.85 C ATOM 507 O VAL E 83 -0.968 -86.087 -16.631 1.00 12.59 O ATOM 508 CB VAL E 83 1.479 -84.381 -15.841 1.00 12.10 C ATOM 509 CG1 VAL E 83 2.713 -85.178 -16.216 1.00 14.14 C ATOM 510 CG2 VAL E 83 1.882 -82.997 -15.359 1.00 15.10 C ATOM 511 N ASN E 84 0.398 -86.276 -18.398 1.00 13.79 N ATOM 512 CA ASN E 84 -0.115 -87.590 -18.765 1.00 15.26 C ATOM 513 C ASN E 84 0.471 -88.709 -17.903 1.00 14.54 C ATOM 514 O ASN E 84 1.603 -88.612 -17.429 1.00 14.27 O ATOM 515 CB ASN E 84 0.183 -87.876 -20.239 1.00 18.43 C ATOM 516 CG ASN E 84 -0.685 -87.052 -21.183 1.00 21.09 C ATOM 517 OD1 ASN E 84 -1.845 -86.758 -20.890 1.00 23.13 O ATOM 518 ND2 ASN E 84 -0.120 -86.676 -22.322 1.00 23.72 N ATOM 519 N ALA E 85 -0.320 -89.758 -17.695 1.00 13.55 N ATOM 520 CA ALA E 85 0.115 -90.914 -16.924 1.00 14.11 C ATOM 521 C ALA E 85 1.054 -91.709 -17.828 1.00 15.12 C ATOM 522 O ALA E 85 0.739 -91.952 -18.992 1.00 16.72 O ATOM 523 CB ALA E 85 -1.085 -91.766 -16.542 1.00 11.10 C ATOM 524 N ALA E 86 2.206 -92.099 -17.301 1.00 14.38 N ATOM 525 CA ALA E 86 3.176 -92.871 -18.067 1.00 15.67 C ATOM 526 C ALA E 86 3.024 -94.360 -17.754 1.00 16.67 C ATOM 527 O ALA E 86 3.151 -95.208 -18.637 1.00 18.09 O ATOM 528 CB ALA E 86 4.585 -92.408 -17.733 1.00 14.66 C ATOM 529 N LYS E 87 2.751 -94.667 -16.492 1.00 16.45 N ATOM 530 CA LYS E 87 2.581 -96.047 -16.043 1.00 16.89 C ATOM 531 C LYS E 87 1.421 -96.103 -15.062 1.00 15.57 C ATOM 532 O LYS E 87 1.326 -95.271 -14.164 1.00 14.47 O ATOM 533 CB ALYS E 87 3.854 -96.550 -15.357 0.50 18.38 C ATOM 534 CB BLYS E 87 3.856 -96.546 -15.353 0.50 18.45 C ATOM 535 CG ALYS E 87 5.121 -96.522 -16.194 0.50 20.07 C ATOM 536 CG BLYS E 87 5.024 -97.080 -16.179 0.50 19.66 C ATOM 537 CD ALYS E 87 6.235 -97.344 -15.529 0.50 22.58 C ATOM 538 CD BLYS E 87 6.060 -97.817 -15.331 0.50 21.52 C ATOM 539 CE ALYS E 87 5.685 -98.563 -14.764 0.50 23.34 C ATOM 540 CE BLYS E 87 7.486 -97.324 -15.570 0.50 21.46 C ATOM 541 NZ ALYS E 87 4.745 -99.362 -15.569 0.50 24.95 N ATOM 542 NZ BLYS E 87 8.504 -98.247 -15.050 0.50 22.09 N ATOM 543 N ILE E 88 0.540 -97.079 -15.243 1.00 14.30 N ATOM 544 CA ILE E 88 -0.615 -97.251 -14.367 1.00 15.65 C ATOM 545 C ILE E 88 -0.490 -98.653 -13.782 1.00 14.83 C ATOM 546 O ILE E 88 -0.499 -99.647 -14.512 1.00 16.27 O ATOM 547 CB ILE E 88 -1.935 -97.086 -15.156 1.00 15.27 C ATOM 548 CG1 ILE E 88 -2.008 -95.670 -15.734 1.00 15.81 C ATOM 549 CG2 ILE E 88 -3.126 -97.344 -14.250 1.00 16.54 C ATOM 550 CD1 ILE E 88 -3.163 -95.443 -16.690 1.00 19.15 C ATOM 551 N ILE E 89 -0.345 -98.724 -12.464 1.00 12.57 N ATOM 552 CA ILE E 89 -0.155 -99.997 -11.778 1.00 11.43 C ATOM 553 C ILE E 89 -1.188-100.271 -10.697 1.00 11.96 C ATOM 554 O ILE E 89 -1.159 -99.658 -9.632 1.00 11.85 O ATOM 555 CB ILE E 89 1.248-100.048 -11.112 1.00 12.87 C ATOM 556 CG1 ILE E 89 2.337 -99.777 -12.153 1.00 15.26 C ATOM 557 CG2 ILE E 89 1.477-101.401 -10.447 1.00 12.84 C ATOM 558 CD1 ILE E 89 3.667 -99.349 -11.553 1.00 16.58 C ATOM 559 N LYS E 90 -2.094-101.203 -10.961 1.00 12.47 N ATOM 560 CA LYS E 90 -3.103-101.561 -9.970 1.00 12.23 C ATOM 561 C LYS E 90 -2.546-102.598 -8.988 1.00 13.01 C ATOM 562 O LYS E 90 -1.626-103.351 -9.322 1.00 12.44 O ATOM 563 CB LYS E 90 -4.346-102.143 -10.653 1.00 12.49 C ATOM 564 CG LYS E 90 -4.931-101.259 -11.730 1.00 14.18 C ATOM 565 CD LYS E 90 -6.348-101.706 -12.087 1.00 18.49 C ATOM 566 CE LYS E 90 -6.343-102.906 -13.017 1.00 15.18 C ATOM 567 NZ LYS E 90 -7.725-103.390 -13.282 1.00 15.14 N ATOM 568 N HIS E 91 -3.091-102.638 -7.776 1.00 11.74 N ATOM 569 CA HIS E 91 -2.630-103.633 -6.824 1.00 13.14 C ATOM 570 C HIS E 91 -2.843-105.002 -7.472 1.00 13.46 C ATOM 571 O HIS E 91 -3.900-105.280 -8.041 1.00 13.43 O ATOM 572 CB HIS E 91 -3.406-103.562 -5.515 1.00 12.24 C ATOM 573 CG HIS E 91 -2.771-104.345 -4.419 1.00 10.82 C ATOM 574 ND1 HIS E 91 -2.932-105.707 -4.281 1.00 9.90 N ATOM 575 CD2 HIS E 91 -1.906-103.977 -3.434 1.00 11.38 C ATOM 576 CE1 HIS E 91 -2.200-106.145 -3.277 1.00 10.94 C ATOM 577 NE2 HIS E 91 -1.567-105.109 -2.746 1.00 12.38 N ATOM 578 N PRO E 92 -1.836-105.882 -7.384 1.00 14.63 N ATOM 579 CA PRO E 92 -1.954-107.213 -7.990 1.00 14.61 C ATOM 580 C PRO E 92 -3.104-108.080 -7.483 1.00 14.83 C ATOM 581 O PRO E 92 -3.519-109.026 -8.155 1.00 16.14 O ATOM 582 CB PRO E 92 -0.586-107.851 -7.733 1.00 15.21 C ATOM 583 CG PRO E 92 0.042-107.035 -6.649 1.00 16.27 C ATOM 584 CD PRO E 92 -0.549-105.673 -6.701 1.00 13.82 C ATOM 585 N ASN E 93 -3.632-107.749 -6.310 1.00 14.61 N ATOM 586 CA ASN E 93 -4.719-108.525 -5.729 1.00 14.37 C ATOM 587 C ASN E 93 -6.071-107.817 -5.717 1.00 11.62 C ATOM 588 O ASN E 93 -6.962-108.196 -4.963 1.00 10.86 O ATOM 589 CB ASN E 93 -4.347-108.946 -4.304 1.00 19.00 C ATOM 590 CG ASN E 93 -3.169-109.910 -4.269 1.00 22.21 C ATOM 591 OD1 ASN E 93 -2.474-110.030 -3.253 1.00 26.53 O ATOM 592 ND2 ASN E 93 -2.938-110.601 -5.381 1.00 23.05 N ATOM 593 N PHE E 94 -6.226-106.797 -6.555 1.00 11.03 N ATOM 594 CA PHE E 94 -7.486-106.065 -6.638 1.00 10.26 C ATOM 595 C PHE E 94 -8.621-106.988 -7.092 1.00 9.63 C ATOM 596 O PHE E 94 -8.456-107.777 -8.019 1.00 11.11 O ATOM 597 CB PHE E 94 -7.349-104.890 -7.622 1.00 9.85 C ATOM 598 CG PHE E 94 -8.655-104.199 -7.940 1.00 10.67 C ATOM 599 CD1 PHE E 94 -9.461-103.685 -6.923 1.00 10.09 C ATOM 600 CD2 PHE E 94 -9.075-104.048 -9.263 1.00 11.77 C ATOM 601 CE1 PHE E 94 -10.670-103.034 -7.218 1.00 10.52 C ATOM 602 CE2 PHE E 94 -10.281-103.400 -9.566 1.00 10.01 C ATOM 603 CZ PHE E 94 -11.075-102.893 -8.541 1.00 10.40 C ATOM 604 N ASP E 95 -9.765-106.897 -6.425 1.00 9.64 N ATOM 605 CA ASP E 95 -10.930-107.700 -6.784 1.00 10.26 C ATOM 606 C ASP E 95 -12.023-106.724 -7.214 1.00 10.49 C ATOM 607 O ASP E 95 -12.494-105.919 -6.406 1.00 9.18 O ATOM 608 CB ASP E 95 -11.400-108.535 -5.596 1.00 12.01 C ATOM 609 CG ASP E 95 -12.462-109.550 -5.979 1.00 13.24 C ATOM 610 OD1 ASP E 95 -13.499-109.154 -6.555 1.00 12.74 O ATOM 611 OD2 ASP E 95 -12.258-110.748 -5.697 1.00 16.72 O ATOM 612 N ARG E 96 -12.406-106.809 -8.481 1.00 11.44 N ATOM 613 CA ARG E 96 -13.406-105.933 -9.094 1.00 13.86 C ATOM 614 C ARG E 96 -14.808-106.089 -8.530 1.00 13.98 C ATOM 615 O ARG E 96 -15.644-105.191 -8.663 1.00 14.58 O ATOM 616 CB AARG E 96 -13.455-106.165 -10.605 0.50 15.86 C ATOM 617 CB BARG E 96 -13.440-106.156 -10.600 0.50 13.94 C ATOM 618 CG AARG E 96 -12.099-106.134 -11.299 0.50 19.61 C ATOM 619 CG BARG E 96 -12.106-106.480 -11.259 0.50 15.49 C ATOM 620 CD AARG E 96 -12.181-106.626 -12.750 0.50 21.36 C ATOM 621 CD BARG E 96 -12.212-106.567 -12.777 0.50 14.11 C ATOM 622 NE AARG E 96 -13.567-106.792 -13.233 0.50 24.26 N ATOM 623 NE BARG E 96 -10.953-106.244 -13.452 0.50 14.20 N ATOM 624 CZ AARG E 96 -13.949-107.725 -14.124 0.50 24.95 C ATOM 625 CZ BARG E 96 -10.797-105.219 -14.295 0.50 13.33 C ATOM 626 NH1AARG E 96 -13.065-108.589 -14.641 0.50 26.00 N ATOM 627 NH1BARG E 96 -11.816-104.398 -14.581 0.50 13.47 N ATOM 628 NH2AARG E 96 -15.207-107.873 -14.566 0.50 26.77 N ATOM 629 NH2BARG E 96 -9.644-104.932 -14.913 0.50 12.75 N ATOM 630 N LYS E 97 -15.065-107.234 -7.919 1.00 14.12 N ATOM 631 CA LYS E 97 -16.372-107.524 -7.358 1.00 17.65 C ATOM 632 C LYS E 97 -16.483-107.116 -5.883 1.00 15.97 C ATOM 633 O LYS E 97 -17.425-106.430 -5.497 1.00 15.92 O ATOM 634 CB LYS E 97 -16.666-109.016 -7.522 1.00 22.64 C ATOM 635 CG LYS E 97 -17.971-109.459 -6.911 1.00 31.69 C ATOM 636 CD LYS E 97 -18.514-110.707 -7.591 1.00 38.35 C ATOM 637 CE LYS E 97 -19.867-111.096 -7.001 1.00 43.53 C ATOM 638 NZ LYS E 97 -20.407-112.367 -7.575 1.00 49.10 N ATOM 639 N THR E 98 -15.512-107.527 -5.073 1.00 14.27 N ATOM 640 CA THR E 98 -15.507-107.213 -3.642 1.00 14.20 C ATOM 641 C THR E 98 -14.855-105.871 -3.330 1.00 13.58 C ATOM 642 O THR E 98 -15.105-105.281 -2.268 1.00 13.33 O ATOM 643 CB THR E 98 -14.755-108.292 -2.837 1.00 13.64 C ATOM 644 OG1 THR E 98 -13.346-108.168 -3.071 1.00 11.32 O ATOM 645 CG2 THR E 98 -15.221-109.689 -3.244 1.00 15.86 C ATOM 646 N LEU E 99 -14.007-105.412 -4.248 1.00 11.17 N ATOM 647 CA LEU E 99 -13.286-104.149 -4.111 1.00 11.09 C ATOM 648 C LEU E 99 -12.152-104.210 -3.091 1.00 10.65 C ATOM 649 O LEU E 99 -11.650-103.180 -2.647 1.00 8.45 O ATOM 650 CB LEU E 99 -14.255-103.020 -3.759 1.00 13.23 C ATOM 651 CG LEU E 99 -15.215-102.796 -4.922 1.00 16.34 C ATOM 652 CD1 LEU E 99 -16.435-102.040 -4.455 1.00 17.83 C ATOM 653 CD2 LEU E 99 -14.474-102.048 -6.026 1.00 17.68 C ATOM 654 N ASN E 100 -11.748-105.421 -2.722 1.00 9.34 N ATOM 655 CA ASN E 100 -10.644-105.584 -1.794 1.00 9.27 C ATOM 656 C ASN E 100 -9.373-105.147 -2.535 1.00 9.32 C ATOM 657 O ASN E 100 -9.212-105.440 -3.724 1.00 9.83 O ATOM 658 CB ASN E 100 -10.532-107.048 -1.365 1.00 9.92 C ATOM 659 CG ASN E 100 -9.641-107.235 -0.144 1.00 12.16 C ATOM 660 OD1 ASN E 100 -9.520-106.346 0.706 1.00 14.17 O ATOM 661 ND2 ASN E 100 -9.014-108.400 -0.052 1.00 13.72 N ATOM 662 N ASN E 101 -8.488-104.443 -1.832 1.00 7.56 N ATOM 663 CA ASN E 101 -7.233-103.941 -2.396 1.00 8.37 C ATOM 664 C ASN E 101 -7.486-102.943 -3.524 1.00 7.80 C ATOM 665 O ASN E 101 -6.796-102.958 -4.546 1.00 6.97 O ATOM 666 CB ASN E 101 -6.373-105.092 -2.928 1.00 8.78 C ATOM 667 CG ASN E 101 -6.168-106.185 -1.906 1.00 10.11 C ATOM 668 OD1 ASN E 101 -6.600-107.320 -2.102 1.00 13.47 O ATOM 669 ND2 ASN E 101 -5.506-105.852 -0.808 1.00 7.57 N ATOM 670 N ASP E 102 -8.480-102.083 -3.334 1.00 6.99 N ATOM 671 CA ASP E 102 -8.824-101.076 -4.339 1.00 6.94 C ATOM 672 C ASP E 102 -7.821 -99.922 -4.268 1.00 7.26 C ATOM 673 O ASP E 102 -8.095 -98.868 -3.690 1.00 7.42 O ATOM 674 CB ASP E 102 -10.244-100.565 -4.087 1.00 6.26 C ATOM 675 CG ASP E 102 -10.786 -99.738 -5.227 1.00 5.20 C ATOM 676 OD1 ASP E 102 -10.160 -99.699 -6.300 1.00 6.24 O ATOM 677 OD2 ASP E 102 -11.851 -99.120 -5.036 1.00 9.12 O ATOM 678 N ILE E 103 -6.653-100.131 -4.860 1.00 7.05 N ATOM 679 CA ILE E 103 -5.611 -99.119 -4.845 1.00 8.05 C ATOM 680 C ILE E 103 -4.777 -99.243 -6.111 1.00 8.97 C ATOM 681 O ILE E 103 -4.568-100.336 -6.631 1.00 8.41 O ATOM 682 CB ILE E 103 -4.713 -99.256 -3.575 1.00 7.93 C ATOM 683 CG1 ILE E 103 -3.704 -98.102 -3.517 1.00 8.86 C ATOM 684 CG2 ILE E 103 -4.029-100.622 -3.557 1.00 7.59 C ATOM 685 CD1 ILE E 103 -3.035 -97.926 -2.157 1.00 10.81 C ATOM 686 N MET E 104 -4.297 -98.107 -6.597 1.00 7.94 N ATOM 687 CA MET E 104 -3.527 -98.080 -7.825 1.00 8.41 C ATOM 688 C MET E 104 -2.529 -96.920 -7.822 1.00 9.33 C ATOM 689 O MET E 104 -2.784 -95.866 -7.236 1.00 8.82 O ATOM 690 CB MET E 104 -4.520 -97.972 -8.987 1.00 9.01 C ATOM 691 CG MET E 104 -4.051 -97.303 -10.248 1.00 12.39 C ATOM 692 SD MET E 104 -5.372 -97.344 -11.491 1.00 12.58 S ATOM 693 CE MET E 104 -5.914 -95.655 -11.438 1.00 10.21 C ATOM 694 N LEU E 105 -1.382 -97.134 -8.462 1.00 8.35 N ATOM 695 CA LEU E 105 -0.348 -96.110 -8.550 1.00 8.45 C ATOM 696 C LEU E 105 -0.218 -95.629 -9.992 1.00 8.98 C ATOM 697 O LEU E 105 -0.314 -96.417 -10.933 1.00 9.95 O ATOM 698 CB LEU E 105 0.994 -96.673 -8.089 1.00 9.97 C ATOM 699 CG LEU E 105 1.147 -96.941 -6.595 1.00 10.76 C ATOM 700 CD1 LEU E 105 2.439 -97.704 -6.360 1.00 11.49 C ATOM 701 CD2 LEU E 105 1.146 -95.622 -5.843 1.00 12.27 C ATOM 702 N ILE E 106 0.001 -94.331 -10.158 1.00 8.68 N ATOM 703 CA ILE E 106 0.153 -93.741 -11.479 1.00 9.45 C ATOM 704 C ILE E 106 1.461 -92.965 -11.477 1.00 9.20 C ATOM 705 O ILE E 106 1.672 -92.098 -10.634 1.00 9.73 O ATOM 706 CB ILE E 106 -1.004 -92.749 -11.810 1.00 9.47 C ATOM 707 CG1 ILE E 106 -2.345 -93.481 -11.795 1.00 9.49 C ATOM 708 CG2 ILE E 106 -0.761 -92.086 -13.175 1.00 10.28 C ATOM 709 CD1 ILE E 106 -3.548 -92.549 -11.812 1.00 11.35 C ATOM 710 N LYS E 107 2.351 -93.299 -12.398 1.00 8.90 N ATOM 711 CA LYS E 107 3.606 -92.588 -12.506 1.00 10.73 C ATOM 712 C LYS E 107 3.384 -91.569 -13.613 1.00 11.89 C ATOM 713 O LYS E 107 2.878 -91.907 -14.678 1.00 12.00 O ATOM 714 CB LYS E 107 4.733 -93.538 -12.887 1.00 13.42 C ATOM 715 CG LYS E 107 6.072 -92.852 -12.977 1.00 13.57 C ATOM 716 CD LYS E 107 7.129 -93.804 -13.479 1.00 16.64 C ATOM 717 CE LYS E 107 8.509 -93.226 -13.251 1.00 19.39 C ATOM 718 NZ LYS E 107 9.522 -93.946 -14.069 1.00 20.60 N ATOM 719 N LEU E 108 3.752 -90.321 -13.362 1.00 12.77 N ATOM 720 CA LEU E 108 3.560 -89.268 -14.353 1.00 13.05 C ATOM 721 C LEU E 108 4.624 -89.284 -15.442 1.00 14.82 C ATOM 722 O LEU E 108 5.723 -89.801 -15.242 1.00 13.96 O ATOM 723 CB LEU E 108 3.537 -87.908 -13.661 1.00 12.26 C ATOM 724 CG LEU E 108 2.516 -87.855 -12.530 1.00 12.28 C ATOM 725 CD1 LEU E 108 2.634 -86.538 -11.806 1.00 13.73 C ATOM 726 CD2 LEU E 108 1.123 -88.044 -13.093 1.00 12.83 C ATOM 727 N SER E 109 4.285 -88.714 -16.595 1.00 17.03 N ATOM 728 CA SER E 109 5.205 -88.664 -17.725 1.00 19.87 C ATOM 729 C SER E 109 6.471 -87.890 -17.364 1.00 20.17 C ATOM 730 O SER E 109 7.567 -88.212 -17.823 1.00 20.54 O ATOM 731 CB SER E 109 4.512 -88.025 -18.930 1.00 20.90 C ATOM 732 OG SER E 109 3.738 -88.990 -19.625 1.00 26.18 O ATOM 733 N SER E 110 6.315 -86.861 -16.545 1.00 19.95 N ATOM 734 CA SER E 110 7.453 -86.074 -16.100 1.00 21.74 C ATOM 735 C SER E 110 7.124 -85.547 -14.713 1.00 20.52 C ATOM 736 O SER E 110 5.952 -85.473 -14.336 1.00 20.57 O ATOM 737 CB SER E 110 7.728 -84.917 -17.070 1.00 24.32 C ATOM 738 OG SER E 110 6.694 -83.950 -17.034 1.00 28.31 O ATOM 739 N PRO E 111 8.151 -85.193 -13.923 1.00 20.90 N ATOM 740 CA PRO E 111 7.897 -84.675 -12.573 1.00 19.49 C ATOM 741 C PRO E 111 7.157 -83.342 -12.634 1.00 18.81 C ATOM 742 O PRO E 111 7.341 -82.567 -13.574 1.00 18.29 O ATOM 743 CB PRO E 111 9.293 -84.516 -11.963 1.00 19.17 C ATOM 744 CG PRO E 111 10.219 -85.256 -12.876 1.00 20.94 C ATOM 745 CD PRO E 111 9.590 -85.252 -14.231 1.00 20.45 C ATOM 746 N VAL E 112 6.317 -83.077 -11.640 1.00 18.30 N ATOM 747 CA VAL E 112 5.580 -81.819 -11.610 1.00 19.10 C ATOM 748 C VAL E 112 6.380 -80.796 -10.826 1.00 18.46 C ATOM 749 O VAL E 112 7.328 -81.145 -10.121 1.00 18.45 O ATOM 750 CB VAL E 112 4.195 -81.965 -10.931 1.00 20.35 C ATOM 751 CG1 VAL E 112 3.324 -82.922 -11.729 1.00 20.11 C ATOM 752 CG2 VAL E 112 4.358 -82.441 -9.490 1.00 17.59 C ATOM 753 N LYS E 113 6.003 -79.531 -10.966 1.00 18.91 N ATOM 754 CA LYS E 113 6.666 -78.462 -10.242 1.00 20.06 C ATOM 755 C LYS E 113 5.920 -78.300 -8.932 1.00 18.71 C ATOM 756 O LYS E 113 4.740 -77.966 -8.924 1.00 19.08 O ATOM 757 CB LYS E 113 6.605 -77.154 -11.032 1.00 23.08 C ATOM 758 CG LYS E 113 7.310 -77.218 -12.378 1.00 30.92 C ATOM 759 CD LYS E 113 7.081 -75.942 -13.191 1.00 36.57 C ATOM 760 CE LYS E 113 8.184 -74.918 -12.941 1.00 40.86 C ATOM 761 NZ LYS E 113 8.364 -73.962 -14.079 1.00 42.47 N ATOM 762 N LEU E 114 6.603 -78.550 -7.825 1.00 17.24 N ATOM 763 CA LEU E 114 5.971 -78.417 -6.529 1.00 17.67 C ATOM 764 C LEU E 114 6.023 -76.961 -6.104 1.00 18.76 C ATOM 765 O LEU E 114 7.042 -76.296 -6.256 1.00 18.92 O ATOM 766 CB LEU E 114 6.672 -79.311 -5.502 1.00 17.23 C ATOM 767 CG LEU E 114 6.633 -80.803 -5.861 1.00 17.51 C ATOM 768 CD1 LEU E 114 7.567 -81.582 -4.952 1.00 18.81 C ATOM 769 CD2 LEU E 114 5.213 -81.330 -5.744 1.00 15.58 C ATOM 770 N ASN E 115 4.900 -76.466 -5.601 1.00 19.68 N ATOM 771 CA ASN E 115 4.789 -75.092 -5.141 1.00 20.47 C ATOM 772 C ASN E 115 3.697 -75.064 -4.077 1.00 20.36 C ATOM 773 O ASN E 115 3.329 -76.103 -3.547 1.00 21.14 O ATOM 774 CB ASN E 115 4.445 -74.155 -6.314 1.00 21.84 C ATOM 775 CG ASN E 115 3.263 -74.649 -7.144 1.00 24.83 C ATOM 776 OD1 ASN E 115 2.159 -74.835 -6.626 1.00 26.57 O ATOM 777 ND2 ASN E 115 3.490 -74.854 -8.440 1.00 22.83 N ATOM 778 N ALA E 116 3.168 -73.888 -3.772 1.00 20.59 N ATOM 779 CA ALA E 116 2.131 -73.778 -2.756 1.00 22.40 C ATOM 780 C ALA E 116 0.792 -74.399 -3.150 1.00 22.36 C ATOM 781 O ALA E 116 0.029 -74.835 -2.285 1.00 24.14 O ATOM 782 CB ALA E 116 1.928 -72.320 -2.390 1.00 24.71 C ATOM 783 N ARG E 117 0.498 -74.432 -4.446 1.00 21.82 N ATOM 784 CA ARG E 117 -0.768 -74.994 -4.908 1.00 21.37 C ATOM 785 C ARG E 117 -0.646 -76.446 -5.332 1.00 17.98 C ATOM 786 O ARG E 117 -1.649 -77.115 -5.546 1.00 16.29 O ATOM 787 CB ARG E 117 -1.323 -74.163 -6.070 1.00 27.67 C ATOM 788 CG ARG E 117 -1.090 -72.672 -5.868 1.00 36.17 C ATOM 789 CD ARG E 117 -2.289 -71.805 -6.206 1.00 44.59 C ATOM 790 NE ARG E 117 -1.994 -70.366 -6.187 1.00 51.45 N ATOM 791 CZ ARG E 117 -0.796 -69.818 -5.945 1.00 55.16 C ATOM 792 NH1 ARG E 117 0.294 -70.561 -5.693 1.00 57.90 N ATOM 793 NH2 ARG E 117 -0.672 -68.499 -5.967 1.00 57.39 N ATOM 794 N VAL E 118 0.586 -76.922 -5.464 1.00 14.34 N ATOM 795 CA VAL E 118 0.844 -78.300 -5.867 1.00 13.26 C ATOM 796 C VAL E 118 1.871 -78.887 -4.910 1.00 13.30 C ATOM 797 O VAL E 118 3.059 -78.564 -4.984 1.00 13.26 O ATOM 798 CB VAL E 118 1.387 -78.368 -7.317 1.00 14.06 C ATOM 799 CG1 VAL E 118 1.682 -79.828 -7.711 1.00 13.42 C ATOM 800 CG2 VAL E 118 0.374 -77.745 -8.278 1.00 14.54 C ATOM 801 N ALA E 119 1.400 -79.752 -4.015 1.00 12.26 N ATOM 802 CA ALA E 119 2.252 -80.375 -3.012 1.00 11.79 C ATOM 803 C ALA E 119 1.913 -81.845 -2.797 1.00 12.00 C ATOM 804 O ALA E 119 0.871 -82.328 -3.232 1.00 12.29 O ATOM 805 CB ALA E 119 2.118 -79.620 -1.691 1.00 13.17 C ATOM 806 N THR E 120 2.804 -82.554 -2.111 1.00 11.15 N ATOM 807 CA THR E 120 2.598 -83.970 -1.828 1.00 11.24 C ATOM 808 C THR E 120 2.008 -84.170 -0.431 1.00 10.96 C ATOM 809 O THR E 120 2.063 -83.278 0.424 1.00 11.32 O ATOM 810 CB THR E 120 3.922 -84.751 -1.894 1.00 11.42 C ATOM 811 OG1 THR E 120 4.765 -84.349 -0.807 1.00 12.33 O ATOM 812 CG2 THR E 120 4.636 -84.484 -3.214 1.00 13.18 C ATOM 813 N VAL E 121 1.413 -85.333 -0.211 1.00 9.63 N ATOM 814 CA VAL E 121 0.861 -85.645 1.092 1.00 9.94 C ATOM 815 C VAL E 121 1.645 -86.855 1.601 1.00 10.49 C ATOM 816 O VAL E 121 2.050 -87.713 0.815 1.00 10.54 O ATOM 817 CB VAL E 121 -0.656 -85.956 1.014 1.00 11.02 C ATOM 818 CG1 VAL E 121 -0.914 -87.094 0.045 1.00 9.67 C ATOM 819 CG2 VAL E 121 -1.186 -86.286 2.404 1.00 12.49 C ATOM 820 N ALA E 122 1.873 -86.901 2.912 1.00 10.19 N ATOM 821 CA ALA E 122 2.618 -87.985 3.531 1.00 10.17 C ATOM 822 C ALA E 122 1.840 -89.290 3.614 1.00 10.10 C ATOM 823 O ALA E 122 0.623 -89.293 3.806 1.00 9.29 O ATOM 824 CB ALA E 122 3.060 -87.569 4.933 1.00 11.06 C ATOM 825 N LEU E 123 2.561 -90.397 3.455 1.00 10.72 N ATOM 826 CA LEU E 123 1.976 -91.725 3.568 1.00 10.73 C ATOM 827 C LEU E 123 1.883 -91.964 5.076 1.00 12.09 C ATOM 828 O LEU E 123 2.636 -91.368 5.856 1.00 12.46 O ATOM 829 CB LEU E 123 2.880 -92.779 2.922 1.00 11.52 C ATOM 830 CG LEU E 123 2.847 -92.885 1.393 1.00 14.11 C ATOM 831 CD1 LEU E 123 3.810 -93.973 0.933 1.00 13.89 C ATOM 832 CD2 LEU E 123 1.438 -93.188 0.928 1.00 12.60 C ATOM 833 N PRO E 124 0.970 -92.840 5.511 1.00 12.01 N ATOM 834 CA PRO E 124 0.831 -93.099 6.950 1.00 11.80 C ATOM 835 C PRO E 124 2.042 -93.699 7.675 1.00 11.36 C ATOM 836 O PRO E 124 2.766 -94.528 7.119 1.00 9.79 O ATOM 837 CB PRO E 124 -0.402 -94.001 7.051 1.00 12.09 C ATOM 838 CG PRO E 124 -0.667 -94.501 5.686 1.00 13.16 C ATOM 839 CD PRO E 124 0.038 -93.638 4.691 1.00 11.41 C ATOM 840 N SER E 125 2.239 -93.249 8.914 1.00 12.29 N ATOM 841 CA SER E 125 3.316 -93.709 9.800 1.00 11.39 C ATOM 842 C SER E 125 2.819 -94.967 10.494 1.00 11.53 C ATOM 843 O SER E 125 3.600 -95.801 10.945 1.00 10.33 O ATOM 844 CB ASER E 125 3.655 -92.639 10.838 0.50 13.02 C ATOM 845 CB BSER E 125 3.640 -92.641 10.853 0.50 12.89 C ATOM 846 OG ASER E 125 2.589 -92.498 11.758 0.50 14.27 O ATOM 847 OG BSER E 125 4.719 -91.822 10.428 0.50 15.15 O ATOM 848 N SER E 127 1.497 -95.065 10.591 1.00 12.03 N ATOM 849 CA SER E 127 0.810 -96.202 11.197 1.00 12.63 C ATOM 850 C SER E 127 -0.676 -96.014 10.902 1.00 11.71 C ATOM 851 O SER E 127 -1.070 -94.993 10.345 1.00 11.94 O ATOM 852 CB SER E 127 1.037 -96.241 12.711 1.00 12.61 C ATOM 853 OG SER E 127 0.439 -95.123 13.332 1.00 14.48 O ATOM 854 N CYS E 128 -1.493 -96.997 11.260 1.00 11.81 N ATOM 855 CA CYS E 128 -2.932 -96.912 11.028 1.00 11.57 C ATOM 856 C CYS E 128 -3.569 -96.010 12.074 1.00 12.68 C ATOM 857 O CYS E 128 -3.366 -96.207 13.269 1.00 13.94 O ATOM 858 CB CYS E 128 -3.571 -98.301 11.107 1.00 10.83 C ATOM 859 SG CYS E 128 -2.920 -99.500 9.904 1.00 11.59 S ATOM 860 N ALA E 129 -4.341 -95.025 11.630 1.00 12.29 N ATOM 861 CA ALA E 129 -5.001 -94.117 12.557 1.00 12.93 C ATOM 862 C ALA E 129 -6.155 -94.833 13.237 1.00 13.28 C ATOM 863 O ALA E 129 -6.885 -95.601 12.603 1.00 13.93 O ATOM 864 CB ALA E 129 -5.511 -92.881 11.820 1.00 14.18 C ATOM 865 N PRO E 130 -6.334 -94.592 14.546 1.00 12.95 N ATOM 866 CA PRO E 130 -7.414 -95.227 15.304 1.00 12.58 C ATOM 867 C PRO E 130 -8.787 -94.648 14.998 1.00 11.72 C ATOM 868 O PRO E 130 -8.903 -93.532 14.495 1.00 12.07 O ATOM 869 CB PRO E 130 -7.018 -94.987 16.754 1.00 14.82 C ATOM 870 CG PRO E 130 -6.240 -93.719 16.710 1.00 15.63 C ATOM 871 CD PRO E 130 -5.514 -93.707 15.391 1.00 13.25 C ATOM 872 N ALA E 132 -9.825 -95.420 15.300 1.00 10.40 N ATOM 873 CA ALA E 132 -11.192 -94.968 15.090 1.00 11.12 C ATOM 874 C ALA E 132 -11.381 -93.709 15.929 1.00 11.76 C ATOM 875 O ALA E 132 -10.821 -93.601 17.024 1.00 13.68 O ATOM 876 CB ALA E 132 -12.170 -96.042 15.534 1.00 11.19 C ATOM 877 N GLY E 133 -12.163 -92.762 15.421 1.00 9.84 N ATOM 878 CA GLY E 133 -12.385 -91.528 16.151 1.00 10.54 C ATOM 879 C GLY E 133 -11.511 -90.385 15.669 1.00 10.08 C ATOM 880 O GLY E 133 -11.757 -89.226 16.001 1.00 11.62 O ATOM 881 N THR E 134 -10.479 -90.711 14.896 1.00 9.08 N ATOM 882 CA THR E 134 -9.580 -89.701 14.356 1.00 9.49 C ATOM 883 C THR E 134 -10.341 -88.850 13.333 1.00 9.53 C ATOM 884 O THR E 134 -10.970 -89.388 12.419 1.00 10.11 O ATOM 885 CB THR E 134 -8.372 -90.353 13.655 1.00 8.93 C ATOM 886 OG1 THR E 134 -7.672 -91.199 14.576 1.00 9.30 O ATOM 887 CG2 THR E 134 -7.422 -89.288 13.134 1.00 10.04 C ATOM 888 N GLN E 135 -10.298 -87.531 13.491 1.00 8.71 N ATOM 889 CA GLN E 135 -10.988 -86.644 12.560 1.00 9.23 C ATOM 890 C GLN E 135 -10.166 -86.500 11.284 1.00 8.80 C ATOM 891 O GLN E 135 -8.960 -86.289 11.334 1.00 9.17 O ATOM 892 CB GLN E 135 -11.215 -85.277 13.202 1.00 9.50 C ATOM 893 CG GLN E 135 -12.100 -84.357 12.387 1.00 13.24 C ATOM 894 CD GLN E 135 -13.575 -84.669 12.545 1.00 15.16 C ATOM 895 OE1 GLN E 135 -13.953 -85.726 13.055 1.00 18.11 O ATOM 896 NE2 GLN E 135 -14.419 -83.742 12.112 1.00 16.11 N ATOM 897 N CYS E 136 -10.824 -86.609 10.136 1.00 8.88 N ATOM 898 CA CYS E 136 -10.128 -86.526 8.857 1.00 8.98 C ATOM 899 C CYS E 136 -10.778 -85.565 7.875 1.00 10.23 C ATOM 900 O CYS E 136 -11.901 -85.095 8.089 1.00 9.78 O ATOM 901 CB CYS E 136 -10.054 -87.914 8.210 1.00 9.00 C ATOM 902 SG CYS E 136 -9.433 -89.235 9.303 1.00 10.94 S ATOM 903 N LEU E 137 -10.054 -85.294 6.791 1.00 9.35 N ATOM 904 CA LEU E 137 -10.523 -84.406 5.737 1.00 7.74 C ATOM 905 C LEU E 137 -10.641 -85.177 4.437 1.00 8.02 C ATOM 906 O LEU E 137 -9.655 -85.726 3.947 1.00 6.67 O ATOM 907 CB LEU E 137 -9.552 -83.244 5.527 1.00 8.68 C ATOM 908 CG LEU E 137 -9.918 -82.303 4.372 1.00 9.63 C ATOM 909 CD1 LEU E 137 -11.216 -81.575 4.707 1.00 8.98 C ATOM 910 CD2 LEU E 137 -8.784 -81.310 4.122 1.00 10.05 C ATOM 911 N ILE E 138 -11.854 -85.212 3.891 1.00 6.86 N ATOM 912 CA ILE E 138 -12.126 -85.891 2.625 1.00 8.89 C ATOM 913 C ILE E 138 -12.392 -84.827 1.567 1.00 7.98 C ATOM 914 O ILE E 138 -13.156 -83.891 1.802 1.00 7.77 O ATOM 915 CB ILE E 138 -13.383 -86.791 2.710 1.00 11.54 C ATOM 916 CG1 ILE E 138 -13.290 -87.709 3.935 1.00 13.40 C ATOM 917 CG2 ILE E 138 -13.537 -87.590 1.406 1.00 11.40 C ATOM 918 CD1 ILE E 138 -14.627 -88.035 4.549 1.00 16.71 C ATOM 919 N SER E 139 -11.772 -84.962 0.402 1.00 6.81 N ATOM 920 CA SER E 139 -11.990 -83.973 -0.642 1.00 7.15 C ATOM 921 C SER E 139 -12.238 -84.604 -2.014 1.00 7.41 C ATOM 922 O SER E 139 -11.809 -85.731 -2.290 1.00 6.28 O ATOM 923 CB SER E 139 -10.800 -83.015 -0.700 1.00 5.52 C ATOM 924 OG SER E 139 -9.587 -83.737 -0.760 1.00 6.72 O ATOM 925 N GLY E 140 -12.937 -83.864 -2.865 1.00 7.41 N ATOM 926 CA GLY E 140 -13.232 -84.361 -4.195 1.00 7.90 C ATOM 927 C GLY E 140 -14.213 -83.447 -4.903 1.00 8.89 C ATOM 928 O GLY E 140 -14.848 -82.597 -4.281 1.00 8.16 O ATOM 929 N TRP E 141 -14.333 -83.619 -6.214 1.00 9.03 N ATOM 930 CA TRP E 141 -15.242 -82.796 -6.992 1.00 10.55 C ATOM 931 C TRP E 141 -16.576 -83.509 -7.134 1.00 13.54 C ATOM 932 O TRP E 141 -17.486 -83.032 -7.809 1.00 13.78 O ATOM 933 CB TRP E 141 -14.654 -82.526 -8.379 1.00 9.76 C ATOM 934 CG TRP E 141 -13.643 -81.407 -8.393 1.00 9.19 C ATOM 935 CD1 TRP E 141 -13.889 -80.087 -8.490 1.00 9.19 C ATOM 936 CD2 TRP E 141 -12.213 -81.556 -8.267 1.00 8.35 C ATOM 937 NE1 TRP E 141 -12.700 -79.370 -8.435 1.00 8.84 N ATOM 938 CE2 TRP E 141 -11.671 -80.264 -8.298 1.00 8.96 C ATOM 939 CE3 TRP E 141 -11.357 -82.646 -8.137 1.00 7.36 C ATOM 940 CZ2 TRP E 141 -10.289 -80.017 -8.201 1.00 8.62 C ATOM 941 CZ3 TRP E 141 -9.964 -82.402 -8.037 1.00 6.82 C ATOM 942 CH2 TRP E 141 -9.457 -81.099 -8.071 1.00 7.91 C ATOM 943 N GLY E 142 -16.513 -84.563 -6.494 1.00 16.67 N ATOM 944 CA GLY E 142 -17.619 -85.447 -6.387 1.00 22.19 C ATOM 945 C GLY E 142 -18.826 -84.773 -5.770 1.00 26.23 C ATOM 946 O GLY E 142 -18.718 -83.710 -5.140 1.00 28.74 O ATOM 947 N ASN E 143 -19.857 -85.495 -6.021 1.00 30.63 N ATOM 948 CA ASN E 143 -21.231 -85.241 -5.663 1.00 33.14 C ATOM 949 C ASN E 143 -22.002 -86.220 -6.607 1.00 32.85 C ATOM 950 O ASN E 143 -22.596 -87.258 -6.128 1.00 35.28 O ATOM 951 CB ASN E 143 -21.595 -83.785 -5.919 1.00 36.00 C ATOM 952 CG ASN E 143 -22.665 -83.286 -4.953 1.00 39.08 C ATOM 953 OD1 ASN E 143 -23.854 -83.469 -5.207 1.00 42.03 O ATOM 954 ND2 ASN E 143 -22.307 -82.667 -3.843 1.00 39.57 N ATOM 955 N PRO E 152 -19.774 -81.331 -11.409 1.00 32.04 N ATOM 956 CA PRO E 152 -18.464 -80.958 -10.637 1.00 30.88 C ATOM 957 C PRO E 152 -17.825 -79.778 -11.212 1.00 28.99 C ATOM 958 O PRO E 152 -17.638 -79.746 -12.459 1.00 30.40 O ATOM 959 CB PRO E 152 -17.551 -82.269 -10.836 1.00 30.59 C ATOM 960 CG PRO E 152 -18.306 -83.186 -11.815 1.00 28.91 C ATOM 961 CD PRO E 152 -19.570 -82.492 -12.314 1.00 30.87 C ATOM 962 N ASP E 153 -17.631 -78.836 -10.306 1.00 25.99 N ATOM 963 CA ASP E 153 -16.860 -77.661 -10.676 1.00 22.85 C ATOM 964 C ASP E 153 -15.839 -77.246 -9.615 1.00 17.00 C ATOM 965 O ASP E 153 -14.641 -77.241 -9.904 1.00 16.10 O ATOM 966 CB ASP E 153 -17.786 -76.495 -11.005 1.00 26.34 C ATOM 967 CG ASP E 153 -18.683 -76.100 -9.863 1.00 32.73 C ATOM 968 OD1 ASP E 153 -19.281 -75.011 -9.972 1.00 34.53 O ATOM 969 OD2 ASP E 153 -18.800 -76.871 -8.870 1.00 35.88 O ATOM 970 N LEU E 154 -16.286 -76.909 -8.405 1.00 14.26 N ATOM 971 CA LEU E 154 -15.361 -76.505 -7.343 1.00 11.84 C ATOM 972 C LEU E 154 -15.074 -77.663 -6.381 1.00 10.98 C ATOM 973 O LEU E 154 -15.970 -78.455 -6.069 1.00 11.46 O ATOM 974 CB LEU E 154 -15.943 -75.337 -6.550 1.00 13.22 C ATOM 975 CG LEU E 154 -16.229 -74.044 -7.306 1.00 13.24 C ATOM 976 CD1 LEU E 154 -16.830 -73.032 -6.339 1.00 14.73 C ATOM 977 CD2 LEU E 154 -14.950 -73.505 -7.913 1.00 13.39 C ATOM 978 N LEU E 155 -13.831 -77.742 -5.906 1.00 10.71 N ATOM 979 CA LEU E 155 -13.415 -78.807 -4.987 1.00 8.60 C ATOM 980 C LEU E 155 -14.189 -78.745 -3.673 1.00 8.88 C ATOM 981 O LEU E 155 -14.277 -77.687 -3.041 1.00 9.30 O ATOM 982 CB LEU E 155 -11.908 -78.716 -4.711 1.00 7.05 C ATOM 983 CG LEU E 155 -11.298 -79.838 -3.857 1.00 6.55 C ATOM 984 CD1 LEU E 155 -11.370 -81.175 -4.587 1.00 6.61 C ATOM 985 CD2 LEU E 155 -9.859 -79.486 -3.540 1.00 8.29 C ATOM 986 N GLN E 156 -14.753 -79.884 -3.274 1.00 8.42 N ATOM 987 CA GLN E 156 -15.538 -79.972 -2.045 1.00 8.96 C ATOM 988 C GLN E 156 -14.751 -80.639 -0.922 1.00 9.42 C ATOM 989 O GLN E 156 -13.932 -81.531 -1.160 1.00 8.54 O ATOM 990 CB GLN E 156 -16.839 -80.751 -2.288 1.00 11.63 C ATOM 991 CG GLN E 156 -17.775 -80.124 -3.313 1.00 10.95 C ATOM 992 CD GLN E 156 -18.262 -78.752 -2.900 1.00 12.85 C ATOM 993 OE1 GLN E 156 -18.996 -78.610 -1.922 1.00 17.67 O ATOM 994 NE2 GLN E 156 -17.859 -77.732 -3.644 1.00 12.06 N ATOM 995 N CYS E 157 -15.023 -80.201 0.303 1.00 8.78 N ATOM 996 CA CYS E 157 -14.350 -80.714 1.484 1.00 7.97 C ATOM 997 C CYS E 157 -15.362 -81.233 2.487 1.00 9.56 C ATOM 998 O CYS E 157 -16.508 -80.791 2.517 1.00 11.02 O ATOM 999 CB CYS E 157 -13.520 -79.608 2.135 1.00 7.11 C ATOM 1000 SG CYS E 157 -11.847 -79.402 1.449 1.00 10.53 S ATOM 1001 N LEU E 158 -14.925 -82.178 3.309 1.00 9.26 N ATOM 1002 CA LEU E 158 -15.773 -82.764 4.333 1.00 9.45 C ATOM 1003 C LEU E 158 -14.906 -83.207 5.506 1.00 9.81 C ATOM 1004 O LEU E 158 -13.909 -83.913 5.325 1.00 8.73 O ATOM 1005 CB LEU E 158 -16.543 -83.970 3.768 1.00 12.80 C ATOM 1006 CG LEU E 158 -17.474 -84.715 4.735 1.00 16.37 C ATOM 1007 CD1 LEU E 158 -18.710 -83.878 5.012 1.00 17.84 C ATOM 1008 CD2 LEU E 158 -17.875 -86.055 4.141 1.00 18.07 C ATOM 1009 N ASP E 159 -15.270 -82.768 6.706 1.00 8.65 N ATOM 1010 CA ASP E 159 -14.543 -83.163 7.905 1.00 8.74 C ATOM 1011 C ASP E 159 -15.348 -84.313 8.493 1.00 8.83 C ATOM 1012 O ASP E 159 -16.524 -84.150 8.798 1.00 10.69 O ATOM 1013 CB ASP E 159 -14.477 -82.002 8.902 1.00 9.62 C ATOM 1014 CG ASP E 159 -13.703 -80.819 8.365 1.00 11.44 C ATOM 1015 OD1 ASP E 159 -12.485 -80.952 8.148 1.00 13.46 O ATOM 1016 OD2 ASP E 159 -14.314 -79.754 8.161 1.00 14.70 O ATOM 1017 N ALA E 160 -14.725 -85.478 8.637 1.00 9.19 N ATOM 1018 CA ALA E 160 -15.421 -86.636 9.172 1.00 8.27 C ATOM 1019 C ALA E 160 -14.440 -87.575 9.848 1.00 8.07 C ATOM 1020 O ALA E 160 -13.273 -87.647 9.474 1.00 10.19 O ATOM 1021 CB ALA E 160 -16.167 -87.369 8.050 1.00 7.51 C ATOM 1022 N PRO E 161 -14.911 -88.320 10.852 1.00 8.14 N ATOM 1023 CA PRO E 161 -14.071 -89.261 11.594 1.00 9.37 C ATOM 1024 C PRO E 161 -14.012 -90.687 11.063 1.00 8.26 C ATOM 1025 O PRO E 161 -14.947 -91.168 10.409 1.00 8.52 O ATOM 1026 CB PRO E 161 -14.700 -89.250 12.970 1.00 10.09 C ATOM 1027 CG PRO E 161 -16.180 -89.154 12.649 1.00 9.22 C ATOM 1028 CD PRO E 161 -16.280 -88.289 11.397 1.00 9.44 C ATOM 1029 N LEU E 162 -12.906 -91.357 11.372 1.00 8.52 N ATOM 1030 CA LEU E 162 -12.747 -92.764 11.025 1.00 10.23 C ATOM 1031 C LEU E 162 -13.691 -93.489 11.987 1.00 10.26 C ATOM 1032 O LEU E 162 -13.723 -93.168 13.176 1.00 10.65 O ATOM 1033 CB LEU E 162 -11.307 -93.219 11.271 1.00 10.22 C ATOM 1034 CG LEU E 162 -10.221 -92.529 10.440 1.00 14.26 C ATOM 1035 CD1 LEU E 162 -8.886 -93.206 10.661 1.00 15.13 C ATOM 1036 CD2 LEU E 162 -10.591 -92.568 8.962 1.00 16.99 C ATOM 1037 N LEU E 163 -14.478 -94.430 11.484 1.00 9.59 N ATOM 1038 CA LEU E 163 -15.412 -95.153 12.336 1.00 10.63 C ATOM 1039 C LEU E 163 -14.834 -96.490 12.798 1.00 11.65 C ATOM 1040 O LEU E 163 -13.938 -97.044 12.160 1.00 12.60 O ATOM 1041 CB LEU E 163 -16.733 -95.387 11.590 1.00 11.42 C ATOM 1042 CG LEU E 163 -17.575 -94.175 11.154 1.00 13.48 C ATOM 1043 CD1 LEU E 163 -18.701 -94.644 10.253 1.00 14.79 C ATOM 1044 CD2 LEU E 163 -18.162 -93.468 12.360 1.00 15.18 C ATOM 1045 N PRO E 164 -15.328 -97.014 13.939 1.00 12.50 N ATOM 1046 CA PRO E 164 -14.831 -98.308 14.445 1.00 13.49 C ATOM 1047 C PRO E 164 -15.193 -99.420 13.449 1.00 12.03 C ATOM 1048 O PRO E 164 -16.252 -99.361 12.830 1.00 12.56 O ATOM 1049 CB PRO E 164 -15.556 -98.479 15.786 1.00 13.67 C ATOM 1050 CG PRO E 164 -16.142 -97.133 16.111 1.00 15.15 C ATOM 1051 CD PRO E 164 -16.349 -96.418 14.812 1.00 13.28 C ATOM 1052 N GLN E 165 -14.324-100.420 13.289 1.00 13.95 N ATOM 1053 CA GLN E 165 -14.581-101.519 12.347 1.00 15.17 C ATOM 1054 C GLN E 165 -15.923-102.191 12.608 1.00 15.88 C ATOM 1055 O GLN E 165 -16.638-102.538 11.671 1.00 15.39 O ATOM 1056 CB GLN E 165 -13.497-102.604 12.430 1.00 17.40 C ATOM 1057 CG GLN E 165 -12.299-102.495 11.466 1.00 23.09 C ATOM 1058 CD GLN E 165 -12.643-102.105 10.023 1.00 22.64 C ATOM 1059 OE1 GLN E 165 -12.713-102.953 9.127 1.00 24.89 O ATOM 1060 NE2 GLN E 165 -12.827-100.813 9.795 1.00 22.23 N ATOM 1061 N ALA E 166 -16.253-102.396 13.881 1.00 15.61 N ATOM 1062 CA ALA E 166 -17.513-103.042 14.247 1.00 16.06 C ATOM 1063 C ALA E 166 -18.720-102.329 13.646 1.00 15.56 C ATOM 1064 O ALA E 166 -19.672-102.968 13.197 1.00 15.46 O ATOM 1065 CB ALA E 166 -17.649-103.104 15.772 1.00 16.07 C ATOM 1066 N ASP E 167 -18.682-101.002 13.648 1.00 15.07 N ATOM 1067 CA ASP E 167 -19.775-100.208 13.105 1.00 15.27 C ATOM 1068 C ASP E 167 -19.812-100.351 11.592 1.00 14.94 C ATOM 1069 O ASP E 167 -20.880-100.448 10.993 1.00 14.92 O ATOM 1070 CB ASP E 167 -19.590 -98.741 13.478 1.00 17.89 C ATOM 1071 CG ASP E 167 -19.814 -98.483 14.956 1.00 22.60 C ATOM 1072 OD1 ASP E 167 -20.582 -99.246 15.582 1.00 23.21 O ATOM 1073 OD2 ASP E 167 -19.225 -97.519 15.494 1.00 27.03 O ATOM 1074 N CYS E 168 -18.631-100.353 10.984 1.00 14.02 N ATOM 1075 CA CYS E 168 -18.488-100.501 9.540 1.00 12.38 C ATOM 1076 C CYS E 168 -19.046-101.869 9.142 1.00 13.47 C ATOM 1077 O CYS E 168 -19.796-102.003 8.168 1.00 11.72 O ATOM 1078 CB CYS E 168 -17.006-100.415 9.165 1.00 11.73 C ATOM 1079 SG CYS E 168 -16.652-100.137 7.403 1.00 11.10 S ATOM 1080 N GLU E 169 -18.680-102.880 9.923 1.00 14.90 N ATOM 1081 CA GLU E 169 -19.117-104.249 9.681 1.00 17.05 C ATOM 1082 C GLU E 169 -20.627-104.402 9.808 1.00 16.91 C ATOM 1083 O GLU E 169 -21.254-105.107 9.017 1.00 18.30 O ATOM 1084 CB GLU E 169 -18.407-105.196 10.651 1.00 20.47 C ATOM 1085 CG GLU E 169 -17.036-105.636 10.152 1.00 27.96 C ATOM 1086 CD GLU E 169 -16.127-106.156 11.256 1.00 32.71 C ATOM 1087 OE1 GLU E 169 -14.950-106.446 10.948 1.00 34.53 O ATOM 1088 OE2 GLU E 169 -16.580-106.277 12.421 1.00 35.04 O ATOM 1089 N ALA E 170 -21.210-103.736 10.799 1.00 15.48 N ATOM 1090 CA ALA E 170 -22.649-103.800 11.026 1.00 15.51 C ATOM 1091 C ALA E 170 -23.439-103.130 9.906 1.00 15.48 C ATOM 1092 O ALA E 170 -24.555-103.538 9.598 1.00 16.78 O ATOM 1093 CB ALA E 170 -22.988-103.149 12.352 1.00 15.23 C ATOM 1094 N SER E 171 -22.858-102.097 9.302 1.00 13.80 N ATOM 1095 CA SER E 171 -23.508-101.363 8.216 1.00 13.18 C ATOM 1096 C SER E 171 -23.469-102.110 6.883 1.00 12.02 C ATOM 1097 O SER E 171 -24.363-101.970 6.057 1.00 12.04 O ATOM 1098 CB SER E 171 -22.841 -99.995 8.039 1.00 12.55 C ATOM 1099 OG SER E 171 -23.131 -99.135 9.129 1.00 15.05 O ATOM 1100 N TYR E 172 -22.417-102.896 6.687 1.00 12.93 N ATOM 1101 CA TYR E 172 -22.223-103.670 5.465 1.00 13.15 C ATOM 1102 C TYR E 172 -21.923-105.126 5.839 1.00 13.97 C ATOM 1103 O TYR E 172 -20.800-105.605 5.678 1.00 12.98 O ATOM 1104 CB TYR E 172 -21.051-103.086 4.670 1.00 11.88 C ATOM 1105 CG TYR E 172 -21.269-101.664 4.204 1.00 10.23 C ATOM 1106 CD1 TYR E 172 -21.887-101.409 2.990 1.00 10.27 C ATOM 1107 CD2 TYR E 172 -20.825-100.573 4.960 1.00 9.46 C ATOM 1108 CE1 TYR E 172 -22.060-100.104 2.523 1.00 10.30 C ATOM 1109 CE2 TYR E 172 -20.993 -99.260 4.502 1.00 8.73 C ATOM 1110 CZ TYR E 172 -21.612 -99.041 3.283 1.00 8.39 C ATOM 1111 OH TYR E 172 -21.792 -97.773 2.803 1.00 8.98 O ATOM 1112 N PRO E 173 -22.944-105.858 6.324 1.00 15.88 N ATOM 1113 CA PRO E 173 -22.734-107.255 6.714 1.00 16.32 C ATOM 1114 C PRO E 173 -22.017-108.124 5.678 1.00 16.20 C ATOM 1115 O PRO E 173 -22.470-108.259 4.540 1.00 17.48 O ATOM 1116 CB PRO E 173 -24.149-107.767 7.009 1.00 17.09 C ATOM 1117 CG PRO E 173 -24.957-106.556 7.279 1.00 16.66 C ATOM 1118 CD PRO E 173 -24.342-105.430 6.500 1.00 15.60 C ATOM 1119 N GLY E 174 -20.893-108.705 6.093 1.00 15.36 N ATOM 1120 CA GLY E 174 -20.118-109.585 5.233 1.00 16.19 C ATOM 1121 C GLY E 174 -19.358-108.979 4.068 1.00 17.01 C ATOM 1122 O GLY E 174 -18.763-109.713 3.278 1.00 18.70 O ATOM 1123 N LYS E 175 -19.350-107.654 3.954 1.00 16.91 N ATOM 1124 CA LYS E 175 -18.664-107.005 2.841 1.00 16.58 C ATOM 1125 C LYS E 175 -17.377-106.269 3.192 1.00 15.89 C ATOM 1126 O LYS E 175 -16.634-105.866 2.296 1.00 16.54 O ATOM 1127 CB LYS E 175 -19.606-106.019 2.142 1.00 17.86 C ATOM 1128 CG LYS E 175 -21.044-106.478 2.034 1.00 20.18 C ATOM 1129 CD LYS E 175 -21.139-107.882 1.475 1.00 26.37 C ATOM 1130 CE LYS E 175 -22.409-108.078 0.663 1.00 30.39 C ATOM 1131 NZ LYS E 175 -22.123-108.010 -0.798 1.00 33.38 N ATOM 1132 N ILE E 176 -17.101-106.101 4.478 1.00 14.37 N ATOM 1133 CA ILE E 176 -15.910-105.366 4.900 1.00 13.59 C ATOM 1134 C ILE E 176 -14.688-106.239 5.201 1.00 13.98 C ATOM 1135 O ILE E 176 -14.779-107.165 5.997 1.00 15.83 O ATOM 1136 CB ILE E 176 -16.241-104.509 6.157 1.00 12.59 C ATOM 1137 CG1 ILE E 176 -17.449-103.606 5.870 1.00 13.09 C ATOM 1138 CG2 ILE E 176 -15.037-103.680 6.577 1.00 12.14 C ATOM 1139 CD1 ILE E 176 -17.307-102.710 4.633 1.00 11.27 C ATOM 1140 N THR E 177 -13.554-105.950 4.560 1.00 12.08 N ATOM 1141 CA THR E 177 -12.314-106.697 4.810 1.00 12.72 C ATOM 1142 C THR E 177 -11.351-105.836 5.645 1.00 13.84 C ATOM 1143 O THR E 177 -11.620-104.659 5.886 1.00 12.90 O ATOM 1144 CB THR E 177 -11.593-107.106 3.498 1.00 12.34 C ATOM 1145 OG1 THR E 177 -10.911-105.971 2.942 1.00 12.06 O ATOM 1146 CG2 THR E 177 -12.577-107.656 2.490 1.00 11.75 C ATOM 1147 N ASP E 178 -10.236-106.413 6.088 1.00 14.65 N ATOM 1148 CA ASP E 178 -9.279-105.653 6.890 1.00 17.58 C ATOM 1149 C ASP E 178 -8.589-104.548 6.089 1.00 15.89 C ATOM 1150 O ASP E 178 -7.856-103.734 6.652 1.00 15.44 O ATOM 1151 CB ASP E 178 -8.216-106.575 7.521 1.00 23.80 C ATOM 1152 CG ASP E 178 -7.514-107.467 6.505 1.00 32.09 C ATOM 1153 OD1 ASP E 178 -7.206-107.001 5.385 1.00 38.50 O ATOM 1154 OD2 ASP E 178 -7.261-108.648 6.837 1.00 37.94 O ATOM 1155 N ASN E 179 -8.830-104.507 4.780 1.00 12.90 N ATOM 1156 CA ASN E 179 -8.209-103.487 3.940 1.00 11.56 C ATOM 1157 C ASN E 179 -9.155-102.336 3.691 1.00 10.59 C ATOM 1158 O ASN E 179 -8.899-101.481 2.845 1.00 10.38 O ATOM 1159 CB ASN E 179 -7.779-104.088 2.608 1.00 11.17 C ATOM 1160 CG ASN E 179 -6.747-105.162 2.780 1.00 12.12 C ATOM 1161 OD1 ASN E 179 -5.766-104.974 3.493 1.00 11.60 O ATOM 1162 ND2 ASN E 179 -6.963-106.303 2.145 1.00 13.64 N ATOM 1163 N MET E 180 -10.249-102.313 4.440 1.00 9.46 N ATOM 1164 CA MET E 180 -11.241-101.263 4.290 1.00 7.59 C ATOM 1165 C MET E 180 -11.521-100.592 5.622 1.00 9.30 C ATOM 1166 O MET E 180 -11.358-101.196 6.682 1.00 9.36 O ATOM 1167 CB MET E 180 -12.551-101.843 3.755 1.00 8.05 C ATOM 1168 CG MET E 180 -12.449-102.483 2.385 1.00 6.86 C ATOM 1169 SD MET E 180 -13.961-103.370 1.995 1.00 9.82 S ATOM 1170 CE MET E 180 -13.395-104.389 0.601 1.00 8.80 C ATOM 1171 N VAL E 181 -11.946 -99.336 5.556 1.00 9.17 N ATOM 1172 CA VAL E 181 -12.292 -98.573 6.744 1.00 9.90 C ATOM 1173 C VAL E 181 -13.464 -97.657 6.399 1.00 10.37 C ATOM 1174 O VAL E 181 -13.536 -97.129 5.282 1.00 10.64 O ATOM 1175 CB VAL E 181 -11.081 -97.732 7.257 1.00 10.46 C ATOM 1176 CG1 VAL E 181 -10.610 -96.749 6.187 1.00 9.47 C ATOM 1177 CG2 VAL E 181 -11.475 -97.003 8.533 1.00 13.28 C ATOM 1178 N CYS E 182 -14.401 -97.497 7.331 1.00 9.30 N ATOM 1179 CA CYS E 182 -15.545 -96.624 7.096 1.00 8.54 C ATOM 1180 C CYS E 182 -15.187 -95.264 7.669 1.00 8.89 C ATOM 1181 O CYS E 182 -14.562 -95.181 8.723 1.00 9.61 O ATOM 1182 CB CYS E 182 -16.796 -97.142 7.809 1.00 8.65 C ATOM 1183 SG CYS E 182 -17.703 -98.464 6.952 1.00 11.04 S ATOM 1184 N VAL E 183 -15.583 -94.207 6.975 1.00 7.77 N ATOM 1185 CA VAL E 183 -15.323 -92.844 7.419 1.00 8.24 C ATOM 1186 C VAL E 183 -16.624 -92.095 7.191 1.00 8.09 C ATOM 1187 O VAL E 183 -17.217 -92.193 6.119 1.00 9.66 O ATOM 1188 CB VAL E 183 -14.201 -92.173 6.583 1.00 8.77 C ATOM 1189 CG1 VAL E 183 -13.922 -90.764 7.105 1.00 8.68 C ATOM 1190 CG2 VAL E 183 -12.942 -93.006 6.632 1.00 7.56 C ATOM 1191 N GLY E 184 -17.081 -91.364 8.199 1.00 8.95 N ATOM 1192 CA GLY E 184 -18.320 -90.629 8.046 1.00 10.57 C ATOM 1193 C GLY E 184 -19.238 -90.627 9.257 1.00 12.07 C ATOM 1194 O GLY E 184 -18.781 -90.603 10.406 1.00 10.39 O ATOM 1195 N PHE E 184A -20.541 -90.672 8.984 1.00 12.13 N ATOM 1196 CA PHE E 184A -21.569 -90.626 10.019 1.00 13.20 C ATOM 1197 C PHE E 184A -22.617 -91.714 9.794 1.00 13.99 C ATOM 1198 O PHE E 184A -23.123 -91.882 8.689 1.00 13.05 O ATOM 1199 CB PHE E 184A -22.223 -89.234 10.004 1.00 14.60 C ATOM 1200 CG PHE E 184A -21.227 -88.107 9.873 1.00 16.14 C ATOM 1201 CD1 PHE E 184A -20.687 -87.501 11.010 1.00 16.50 C ATOM 1202 CD2 PHE E 184A -20.777 -87.696 8.616 1.00 16.42 C ATOM 1203 CE1 PHE E 184A -19.706 -86.508 10.895 1.00 15.45 C ATOM 1204 CE2 PHE E 184A -19.798 -86.706 8.494 1.00 16.93 C ATOM 1205 CZ PHE E 184A -19.263 -86.115 9.635 1.00 16.25 C ATOM 1206 N LEU E 185 -22.940 -92.451 10.851 1.00 15.35 N ATOM 1207 CA LEU E 185 -23.921 -93.526 10.752 1.00 16.37 C ATOM 1208 C LEU E 185 -25.330 -92.982 10.553 1.00 16.79 C ATOM 1209 O LEU E 185 -26.233 -93.709 10.145 1.00 16.41 O ATOM 1210 CB LEU E 185 -23.860 -94.402 12.005 1.00 17.79 C ATOM 1211 CG LEU E 185 -22.508 -95.088 12.225 1.00 18.60 C ATOM 1212 CD1 LEU E 185 -22.478 -95.727 13.595 1.00 20.98 C ATOM 1213 CD2 LEU E 185 -22.275 -96.130 11.144 1.00 19.18 C ATOM 1214 N GLU E 186 -25.506 -91.695 10.836 1.00 18.03 N ATOM 1215 CA GLU E 186 -26.797 -91.039 10.675 1.00 20.36 C ATOM 1216 C GLU E 186 -26.905 -90.525 9.247 1.00 20.30 C ATOM 1217 O GLU E 186 -27.952 -90.030 8.827 1.00 19.79 O ATOM 1218 CB GLU E 186 -26.927 -89.869 11.657 1.00 23.72 C ATOM 1219 CG GLU E 186 -25.842 -88.808 11.506 1.00 30.22 C ATOM 1220 CD GLU E 186 -24.787 -88.877 12.604 1.00 34.48 C ATOM 1221 OE1 GLU E 186 -24.310 -87.800 13.033 1.00 37.09 O ATOM 1222 OE2 GLU E 186 -24.435 -90.003 13.035 1.00 34.53 O ATOM 1223 N GLY E 187 -25.807 -90.649 8.507 1.00 18.95 N ATOM 1224 CA GLY E 187 -25.782 -90.197 7.131 1.00 19.00 C ATOM 1225 C GLY E 187 -25.735 -88.688 7.069 1.00 18.66 C ATOM 1226 O GLY E 187 -25.305 -88.044 8.022 1.00 19.86 O ATOM 1227 N GLY E 188 -26.170 -88.124 5.947 1.00 17.48 N ATOM 1228 CA GLY E 188 -26.180 -86.679 5.796 1.00 17.46 C ATOM 1229 C GLY E 188 -24.947 -86.084 5.141 1.00 16.75 C ATOM 1230 O GLY E 188 -25.046 -85.105 4.403 1.00 16.16 O ATOM 1231 N LYS E 188A -23.787 -86.669 5.420 1.00 17.16 N ATOM 1232 CA LYS E 188A -22.515 -86.205 4.866 1.00 17.76 C ATOM 1233 C LYS E 188A -21.766 -87.421 4.334 1.00 15.22 C ATOM 1234 O LYS E 188A -21.701 -88.446 5.009 1.00 15.78 O ATOM 1235 CB LYS E 188A -21.684 -85.511 5.949 1.00 20.66 C ATOM 1236 CG LYS E 188A -22.319 -84.245 6.474 1.00 27.41 C ATOM 1237 CD LYS E 188A -21.401 -83.528 7.440 1.00 31.12 C ATOM 1238 CE LYS E 188A -21.769 -82.060 7.529 1.00 35.73 C ATOM 1239 NZ LYS E 188A -23.175 -81.853 7.986 1.00 39.30 N ATOM 1240 N ASP E 189 -21.189 -87.304 3.142 1.00 13.02 N ATOM 1241 CA ASP E 189 -20.502 -88.440 2.549 1.00 10.70 C ATOM 1242 C ASP E 189 -19.799 -88.050 1.243 1.00 9.52 C ATOM 1243 O ASP E 189 -19.992 -86.954 0.717 1.00 9.25 O ATOM 1244 CB ASP E 189 -21.560 -89.496 2.255 1.00 9.30 C ATOM 1245 CG ASP E 189 -21.022 -90.923 2.260 1.00 8.08 C ATOM 1246 OD1 ASP E 189 -19.788 -91.159 2.273 1.00 8.50 O ATOM 1247 OD2 ASP E 189 -21.881 -91.828 2.246 1.00 11.86 O ATOM 1248 N SER E 190 -18.952 -88.951 0.751 1.00 8.65 N ATOM 1249 CA SER E 190 -18.288 -88.760 -0.522 1.00 8.15 C ATOM 1250 C SER E 190 -19.297 -89.390 -1.478 1.00 8.70 C ATOM 1251 O SER E 190 -20.135 -90.172 -1.047 1.00 8.73 O ATOM 1252 CB SER E 190 -16.957 -89.519 -0.545 1.00 7.06 C ATOM 1253 OG SER E 190 -17.129 -90.854 -0.094 1.00 8.89 O ATOM 1254 N CYS E 191 -19.235 -89.053 -2.757 1.00 7.68 N ATOM 1255 CA CYS E 191 -20.179 -89.603 -3.719 1.00 8.97 C ATOM 1256 C CYS E 191 -19.496 -89.791 -5.084 1.00 9.75 C ATOM 1257 O CYS E 191 -18.289 -89.566 -5.218 1.00 9.11 O ATOM 1258 CB CYS E 191 -21.388 -88.665 -3.847 1.00 9.15 C ATOM 1259 SG CYS E 191 -22.947 -89.441 -4.390 1.00 12.25 S ATOM 1260 N GLN E 192 -20.255 -90.210 -6.097 1.00 9.92 N ATOM 1261 CA GLN E 192 -19.683 -90.428 -7.422 1.00 9.18 C ATOM 1262 C GLN E 192 -18.928 -89.195 -7.907 1.00 9.13 C ATOM 1263 O GLN E 192 -19.453 -88.073 -7.890 1.00 9.16 O ATOM 1264 CB GLN E 192 -20.779 -90.830 -8.420 1.00 9.53 C ATOM 1265 CG GLN E 192 -21.156 -92.301 -8.329 1.00 9.41 C ATOM 1266 CD GLN E 192 -21.972 -92.592 -7.085 1.00 10.71 C ATOM 1267 OE1 GLN E 192 -22.862 -91.823 -6.738 1.00 12.60 O ATOM 1268 NE2 GLN E 192 -21.673 -93.696 -6.410 1.00 10.80 N ATOM 1269 N GLY E 193 -17.687 -89.432 -8.331 1.00 8.38 N ATOM 1270 CA GLY E 193 -16.812 -88.379 -8.807 1.00 6.58 C ATOM 1271 C GLY E 193 -15.687 -88.181 -7.805 1.00 7.03 C ATOM 1272 O GLY E 193 -14.686 -87.516 -8.094 1.00 7.08 O ATOM 1273 N ASP E 194 -15.847 -88.783 -6.627 1.00 7.66 N ATOM 1274 CA ASP E 194 -14.860 -88.668 -5.553 1.00 6.17 C ATOM 1275 C ASP E 194 -13.862 -89.820 -5.486 1.00 7.30 C ATOM 1276 O ASP E 194 -12.801 -89.678 -4.885 1.00 5.84 O ATOM 1277 CB ASP E 194 -15.566 -88.581 -4.204 1.00 6.38 C ATOM 1278 CG ASP E 194 -16.177 -87.221 -3.951 1.00 7.95 C ATOM 1279 OD1 ASP E 194 -15.671 -86.220 -4.506 1.00 8.93 O ATOM 1280 OD2 ASP E 194 -17.171 -87.152 -3.194 1.00 9.83 O ATOM 1281 N SER E 195 -14.213 -90.958 -6.087 1.00 6.82 N ATOM 1282 CA SER E 195 -13.358 -92.157 -6.060 1.00 6.64 C ATOM 1283 C SER E 195 -11.880 -91.867 -6.335 1.00 5.55 C ATOM 1284 O SER E 195 -11.523 -91.075 -7.209 1.00 5.08 O ATOM 1285 CB SER E 195 -13.831 -93.189 -7.084 1.00 6.32 C ATOM 1286 OG SER E 195 -14.776 -94.056 -6.534 1.00 6.70 O ATOM 1287 N GLY E 196 -11.019 -92.531 -5.581 1.00 4.78 N ATOM 1288 CA GLY E 196 -9.595 -92.358 -5.753 1.00 5.09 C ATOM 1289 C GLY E 196 -9.031 -91.208 -4.949 1.00 6.21 C ATOM 1290 O GLY E 196 -7.817 -91.135 -4.740 1.00 6.41 O ATOM 1291 N GLY E 197 -9.913 -90.316 -4.502 1.00 6.17 N ATOM 1292 CA GLY E 197 -9.496 -89.164 -3.724 1.00 5.85 C ATOM 1293 C GLY E 197 -8.979 -89.473 -2.329 1.00 4.69 C ATOM 1294 O GLY E 197 -9.125 -90.589 -1.828 1.00 5.85 O ATOM 1295 N PRO E 198 -8.380 -88.477 -1.663 1.00 5.91 N ATOM 1296 CA PRO E 198 -7.825 -88.632 -0.324 1.00 5.27 C ATOM 1297 C PRO E 198 -8.705 -88.453 0.907 1.00 5.70 C ATOM 1298 O PRO E 198 -9.686 -87.708 0.909 1.00 6.22 O ATOM 1299 CB PRO E 198 -6.685 -87.613 -0.314 1.00 5.74 C ATOM 1300 CG PRO E 198 -7.254 -86.476 -1.111 1.00 6.70 C ATOM 1301 CD PRO E 198 -8.141 -87.114 -2.183 1.00 6.45 C ATOM 1302 N VAL E 199 -8.303 -89.166 1.955 1.00 6.43 N ATOM 1303 CA VAL E 199 -8.876 -89.056 3.286 1.00 5.71 C ATOM 1304 C VAL E 199 -7.591 -88.794 4.073 1.00 5.92 C ATOM 1305 O VAL E 199 -6.763 -89.691 4.242 1.00 6.60 O ATOM 1306 CB VAL E 199 -9.512 -90.355 3.777 1.00 7.16 C ATOM 1307 CG1 VAL E 199 -9.954 -90.194 5.232 1.00 7.44 C ATOM 1308 CG2 VAL E 199 -10.707 -90.703 2.899 1.00 7.64 C ATOM 1309 N VAL E 200 -7.399 -87.551 4.496 1.00 6.72 N ATOM 1310 CA VAL E 200 -6.197 -87.180 5.225 1.00 7.33 C ATOM 1311 C VAL E 200 -6.498 -86.860 6.685 1.00 8.04 C ATOM 1312 O VAL E 200 -7.402 -86.082 6.995 1.00 7.98 O ATOM 1313 CB VAL E 200 -5.504 -85.979 4.534 1.00 6.66 C ATOM 1314 CG1 VAL E 200 -4.280 -85.524 5.327 1.00 7.16 C ATOM 1315 CG2 VAL E 200 -5.091 -86.378 3.130 1.00 7.39 C ATOM 1316 N CYS E 201 -5.743 -87.492 7.579 1.00 9.65 N ATOM 1317 CA CYS E 201 -5.921 -87.301 9.012 1.00 10.37 C ATOM 1318 C CYS E 201 -4.577 -86.982 9.631 1.00 12.87 C ATOM 1319 O CYS E 201 -3.629 -87.755 9.500 1.00 11.59 O ATOM 1320 CB CYS E 201 -6.480 -88.566 9.668 1.00 11.18 C ATOM 1321 SG CYS E 201 -7.559 -89.583 8.616 1.00 11.51 S ATOM 1322 N ASN E 202 -4.496 -85.835 10.295 1.00 14.97 N ATOM 1323 CA ASN E 202 -3.256 -85.413 10.940 1.00 16.67 C ATOM 1324 C ASN E 202 -2.073 -85.425 9.974 1.00 15.43 C ATOM 1325 O ASN E 202 -0.992 -85.922 10.301 1.00 15.37 O ATOM 1326 CB ASN E 202 -2.951 -86.312 12.143 1.00 19.50 C ATOM 1327 CG ASN E 202 -4.013 -86.222 13.227 1.00 22.79 C ATOM 1328 OD1 ASN E 202 -4.569 -85.153 13.485 1.00 25.91 O ATOM 1329 ND2 ASN E 202 -4.298 -87.351 13.870 1.00 23.87 N ATOM 1330 N GLY E 203 -2.296 -84.888 8.779 1.00 13.67 N ATOM 1331 CA GLY E 203 -1.246 -84.800 7.781 1.00 13.82 C ATOM 1332 C GLY E 203 -0.838 -86.056 7.034 1.00 12.56 C ATOM 1333 O GLY E 203 0.108 -86.012 6.244 1.00 14.10 O ATOM 1334 N GLU E 204 -1.535 -87.165 7.250 1.00 10.90 N ATOM 1335 CA GLU E 204 -1.186 -88.405 6.559 1.00 9.00 C ATOM 1336 C GLU E 204 -2.355 -88.980 5.785 1.00 8.76 C ATOM 1337 O GLU E 204 -3.506 -88.881 6.219 1.00 7.91 O ATOM 1338 CB GLU E 204 -0.690 -89.442 7.559 0.50 4.05 C ATOM 1339 CG GLU E 204 0.538 -89.001 8.338 0.50 5.09 C ATOM 1340 CD GLU E 204 1.061 -90.066 9.270 0.50 3.59 C ATOM 1341 OE1 GLU E 204 0.274 -90.939 9.668 0.50 5.21 O ATOM 1342 OE2 GLU E 204 2.258 -90.018 9.607 0.50 5.12 O ATOM 1343 N LEU E 209 -2.052 -89.565 4.630 1.00 7.40 N ATOM 1344 CA LEU E 209 -3.074 -90.168 3.789 1.00 7.58 C ATOM 1345 C LEU E 209 -3.473 -91.509 4.408 1.00 8.50 C ATOM 1346 O LEU E 209 -2.713 -92.474 4.346 1.00 9.75 O ATOM 1347 CB LEU E 209 -2.517 -90.381 2.382 1.00 8.79 C ATOM 1348 CG LEU E 209 -3.462 -90.963 1.325 1.00 9.91 C ATOM 1349 CD1 LEU E 209 -4.551 -89.946 0.984 1.00 7.93 C ATOM 1350 CD2 LEU E 209 -2.653 -91.355 0.087 1.00 9.92 C ATOM 1351 N GLN E 210 -4.659 -91.568 5.010 1.00 7.44 N ATOM 1352 CA GLN E 210 -5.131 -92.801 5.646 1.00 8.52 C ATOM 1353 C GLN E 210 -6.178 -93.559 4.833 1.00 9.31 C ATOM 1354 O GLN E 210 -6.404 -94.750 5.066 1.00 8.88 O ATOM 1355 CB GLN E 210 -5.709 -92.508 7.038 1.00 8.63 C ATOM 1356 CG GLN E 210 -4.701 -91.956 8.051 1.00 10.07 C ATOM 1357 CD GLN E 210 -3.776 -93.022 8.640 1.00 12.73 C ATOM 1358 OE1 GLN E 210 -4.071 -94.223 8.580 1.00 13.50 O ATOM 1359 NE2 GLN E 210 -2.660 -92.591 9.205 1.00 10.56 N ATOM 1360 N GLY E 211 -6.825 -92.882 3.890 1.00 7.59 N ATOM 1361 CA GLY E 211 -7.831 -93.563 3.099 1.00 6.88 C ATOM 1362 C GLY E 211 -7.960 -93.082 1.667 1.00 6.34 C ATOM 1363 O GLY E 211 -7.505 -91.993 1.316 1.00 6.03 O ATOM 1364 N ILE E 212 -8.561 -93.925 0.834 1.00 5.58 N ATOM 1365 CA ILE E 212 -8.816 -93.606 -0.566 1.00 6.06 C ATOM 1366 C ILE E 212 -10.308 -93.851 -0.786 1.00 5.61 C ATOM 1367 O ILE E 212 -10.814 -94.921 -0.444 1.00 7.01 O ATOM 1368 CB ILE E 212 -8.020 -94.523 -1.533 1.00 6.49 C ATOM 1369 CG1 ILE E 212 -6.517 -94.257 -1.395 1.00 8.69 C ATOM 1370 CG2 ILE E 212 -8.456 -94.262 -2.968 1.00 6.43 C ATOM 1371 CD1 ILE E 212 -5.639 -95.298 -2.083 1.00 10.91 C ATOM 1372 N VAL E 213 -11.014 -92.861 -1.331 1.00 4.86 N ATOM 1373 CA VAL E 213 -12.447 -93.005 -1.589 1.00 5.57 C ATOM 1374 C VAL E 213 -12.646 -94.216 -2.503 1.00 5.21 C ATOM 1375 O VAL E 213 -12.059 -94.295 -3.580 1.00 4.51 O ATOM 1376 CB VAL E 213 -13.033 -91.743 -2.271 1.00 5.14 C ATOM 1377 CG1 VAL E 213 -14.536 -91.888 -2.431 1.00 4.58 C ATOM 1378 CG2 VAL E 213 -12.716 -90.503 -1.442 1.00 4.90 C ATOM 1379 N SER E 214 -13.474 -95.158 -2.063 1.00 7.16 N ATOM 1380 CA SER E 214 -13.717 -96.382 -2.823 1.00 7.29 C ATOM 1381 C SER E 214 -15.186 -96.661 -3.166 1.00 7.51 C ATOM 1382 O SER E 214 -15.585 -96.525 -4.317 1.00 7.88 O ATOM 1383 CB SER E 214 -13.127 -97.576 -2.053 1.00 8.83 C ATOM 1384 OG SER E 214 -13.151 -98.772 -2.820 1.00 8.94 O ATOM 1385 N TRP E 215 -15.991 -97.045 -2.176 1.00 7.16 N ATOM 1386 CA TRP E 215 -17.393 -97.358 -2.438 1.00 7.75 C ATOM 1387 C TRP E 215 -18.343 -97.111 -1.270 1.00 8.76 C ATOM 1388 O TRP E 215 -17.939 -96.708 -0.180 1.00 9.16 O ATOM 1389 CB TRP E 215 -17.518 -98.826 -2.875 1.00 7.05 C ATOM 1390 CG TRP E 215 -17.097 -99.826 -1.824 1.00 6.14 C ATOM 1391 CD1 TRP E 215 -15.819-100.191 -1.505 1.00 7.07 C ATOM 1392 CD2 TRP E 215 -17.954-100.596 -0.968 1.00 8.29 C ATOM 1393 NE1 TRP E 215 -15.826-101.144 -0.518 1.00 8.06 N ATOM 1394 CE2 TRP E 215 -17.124-101.409 -0.168 1.00 8.72 C ATOM 1395 CE3 TRP E 215 -19.346-100.686 -0.814 1.00 8.26 C ATOM 1396 CZ2 TRP E 215 -17.638-102.302 0.784 1.00 8.72 C ATOM 1397 CZ3 TRP E 215 -19.856-101.567 0.138 1.00 8.01 C ATOM 1398 CH2 TRP E 215 -19.003-102.366 0.919 1.00 8.17 C ATOM 1399 N GLY E 216 -19.618 -97.371 -1.521 1.00 8.06 N ATOM 1400 CA GLY E 216 -20.634 -97.218 -0.504 1.00 9.19 C ATOM 1401 C GLY E 216 -21.969 -97.520 -1.147 1.00 10.52 C ATOM 1402 O GLY E 216 -22.054 -97.556 -2.370 1.00 11.62 O ATOM 1403 N TYR E 217 -22.999 -97.775 -0.348 1.00 10.41 N ATOM 1404 CA TYR E 217 -24.323 -98.024 -0.910 1.00 11.70 C ATOM 1405 C TYR E 217 -25.002 -96.662 -0.884 1.00 12.03 C ATOM 1406 O TYR E 217 -25.413 -96.171 0.170 1.00 13.05 O ATOM 1407 CB TYR E 217 -25.100 -99.030 -0.064 1.00 13.10 C ATOM 1408 CG TYR E 217 -24.528-100.431 -0.067 1.00 12.66 C ATOM 1409 CD1 TYR E 217 -23.647-100.859 -1.070 1.00 11.46 C ATOM 1410 CD2 TYR E 217 -24.852-101.323 0.951 1.00 13.56 C ATOM 1411 CE1 TYR E 217 -23.101-102.145 -1.047 1.00 13.16 C ATOM 1412 CE2 TYR E 217 -24.316-102.605 0.983 1.00 14.65 C ATOM 1413 CZ TYR E 217 -23.442-103.009 -0.012 1.00 12.96 C ATOM 1414 OH TYR E 217 -22.904-104.270 0.055 1.00 15.77 O ATOM 1415 N GLY E 219 -25.104 -96.048 -2.055 1.00 12.24 N ATOM 1416 CA GLY E 219 -25.681 -94.722 -2.131 1.00 12.86 C ATOM 1417 C GLY E 219 -24.655 -93.736 -1.581 1.00 12.47 C ATOM 1418 O GLY E 219 -23.462 -94.051 -1.487 1.00 12.87 O ATOM 1419 N CYS E 220 -25.119 -92.543 -1.226 1.00 11.64 N ATOM 1420 CA CYS E 220 -24.261 -91.506 -0.669 1.00 11.64 C ATOM 1421 C CYS E 220 -25.048 -90.796 0.417 1.00 12.82 C ATOM 1422 O CYS E 220 -26.199 -90.407 0.205 1.00 12.43 O ATOM 1423 CB CYS E 220 -23.874 -90.471 -1.724 1.00 10.77 C ATOM 1424 SG CYS E 220 -23.111 -91.104 -3.249 1.00 11.27 S ATOM 1425 N ALA E 221 -24.426 -90.628 1.579 1.00 13.49 N ATOM 1426 CA ALA E 221 -25.049 -89.938 2.705 1.00 14.32 C ATOM 1427 C ALA E 221 -26.313 -90.611 3.255 1.00 14.93 C ATOM 1428 O ALA E 221 -27.146 -89.960 3.890 1.00 16.50 O ATOM 1429 CB ALA E 221 -25.347 -88.494 2.311 1.00 14.28 C ATOM 1430 N LEU E 221A -26.444 -91.913 3.023 1.00 15.16 N ATOM 1431 CA LEU E 221A -27.591 -92.675 3.506 1.00 16.06 C ATOM 1432 C LEU E 221A -27.351 -93.144 4.941 1.00 16.66 C ATOM 1433 O LEU E 221A -26.249 -93.562 5.297 1.00 16.33 O ATOM 1434 CB LEU E 221A -27.826 -93.910 2.630 1.00 15.99 C ATOM 1435 CG LEU E 221A -28.331 -93.771 1.193 1.00 17.51 C ATOM 1436 CD1 LEU E 221A -28.910 -95.110 0.753 1.00 17.38 C ATOM 1437 CD2 LEU E 221A -29.377 -92.665 1.090 1.00 19.05 C ATOM 1438 N PRO E 222 -28.380 -93.077 5.792 1.00 17.58 N ATOM 1439 CA PRO E 222 -28.156 -93.533 7.166 1.00 17.18 C ATOM 1440 C PRO E 222 -27.801 -95.025 7.196 1.00 17.23 C ATOM 1441 O PRO E 222 -28.349 -95.820 6.418 1.00 16.86 O ATOM 1442 CB PRO E 222 -29.482 -93.247 7.877 1.00 18.31 C ATOM 1443 CG PRO E 222 -30.233 -92.319 6.967 1.00 20.62 C ATOM 1444 CD PRO E 222 -29.755 -92.588 5.577 1.00 19.44 C ATOM 1445 N ASP E 223 -26.884 -95.387 8.091 1.00 16.09 N ATOM 1446 CA ASP E 223 -26.438 -96.767 8.268 1.00 16.32 C ATOM 1447 C ASP E 223 -25.616 -97.307 7.097 1.00 14.78 C ATOM 1448 O ASP E 223 -25.407 -98.515 6.973 1.00 14.11 O ATOM 1449 CB ASP E 223 -27.640 -97.681 8.523 1.00 18.29 C ATOM 1450 CG ASP E 223 -27.246 -98.983 9.176 1.00 20.39 C ATOM 1451 OD1 ASP E 223 -26.563 -98.930 10.221 1.00 23.34 O ATOM 1452 OD2 ASP E 223 -27.615-100.056 8.645 1.00 21.35 O ATOM 1453 N ASN E 224 -25.152 -96.409 6.239 1.00 13.09 N ATOM 1454 CA ASN E 224 -24.338 -96.815 5.106 1.00 12.59 C ATOM 1455 C ASN E 224 -23.318 -95.723 4.802 1.00 11.84 C ATOM 1456 O ASN E 224 -23.409 -95.032 3.785 1.00 12.47 O ATOM 1457 CB ASN E 224 -25.214 -97.096 3.874 1.00 13.32 C ATOM 1458 CG ASN E 224 -25.740 -98.533 3.844 1.00 15.19 C ATOM 1459 OD1 ASN E 224 -24.974 -99.494 3.741 1.00 15.73 O ATOM 1460 ND2 ASN E 224 -27.051 -98.679 3.941 1.00 13.97 N ATOM 1461 N PRO E 225 -22.342 -95.538 5.712 1.00 11.73 N ATOM 1462 CA PRO E 225 -21.292 -94.527 5.538 1.00 10.96 C ATOM 1463 C PRO E 225 -20.332 -95.001 4.451 1.00 9.73 C ATOM 1464 O PRO E 225 -20.290 -96.193 4.128 1.00 11.07 O ATOM 1465 CB PRO E 225 -20.616 -94.475 6.907 1.00 10.40 C ATOM 1466 CG PRO E 225 -20.832 -95.838 7.469 1.00 11.53 C ATOM 1467 CD PRO E 225 -22.188 -96.277 6.977 1.00 10.91 C ATOM 1468 N GLY E 226 -19.562 -94.078 3.888 1.00 8.90 N ATOM 1469 CA GLY E 226 -18.626 -94.456 2.848 1.00 8.85 C ATOM 1470 C GLY E 226 -17.540 -95.418 3.319 1.00 8.29 C ATOM 1471 O GLY E 226 -17.123 -95.388 4.480 1.00 7.42 O ATOM 1472 N VAL E 227 -17.093 -96.283 2.410 1.00 8.94 N ATOM 1473 CA VAL E 227 -16.038 -97.245 2.700 1.00 8.52 C ATOM 1474 C VAL E 227 -14.807 -96.784 1.925 1.00 8.15 C ATOM 1475 O VAL E 227 -14.904 -96.364 0.766 1.00 9.06 O ATOM 1476 CB VAL E 227 -16.442 -98.673 2.278 1.00 8.28 C ATOM 1477 CG1 VAL E 227 -15.385 -99.664 2.735 1.00 7.58 C ATOM 1478 CG2 VAL E 227 -17.800 -99.028 2.887 1.00 7.66 C ATOM 1479 N TYR E 228 -13.650 -96.860 2.572 1.00 7.86 N ATOM 1480 CA TYR E 228 -12.403 -96.385 1.979 1.00 7.27 C ATOM 1481 C TYR E 228 -11.282 -97.407 2.066 1.00 7.02 C ATOM 1482 O TYR E 228 -11.238 -98.210 2.992 1.00 9.04 O ATOM 1483 CB TYR E 228 -11.961 -95.105 2.697 1.00 5.87 C ATOM 1484 CG TYR E 228 -12.981 -94.000 2.630 1.00 5.97 C ATOM 1485 CD1 TYR E 228 -12.788 -92.910 1.785 1.00 6.61 C ATOM 1486 CD2 TYR E 228 -14.160 -94.062 3.375 1.00 6.46 C ATOM 1487 CE1 TYR E 228 -13.742 -91.907 1.673 1.00 7.63 C ATOM 1488 CE2 TYR E 228 -15.128 -93.063 3.274 1.00 6.67 C ATOM 1489 CZ TYR E 228 -14.910 -91.989 2.417 1.00 7.33 C ATOM 1490 OH TYR E 228 -15.856 -91.002 2.289 1.00 7.86 O ATOM 1491 N THR E 229 -10.371 -97.375 1.103 1.00 6.80 N ATOM 1492 CA THR E 229 -9.253 -98.300 1.127 1.00 6.78 C ATOM 1493 C THR E 229 -8.368 -97.833 2.269 1.00 7.06 C ATOM 1494 O THR E 229 -8.047 -96.657 2.356 1.00 7.47 O ATOM 1495 CB THR E 229 -8.463 -98.249 -0.184 1.00 5.86 C ATOM 1496 OG1 THR E 229 -9.336 -98.570 -1.269 1.00 7.74 O ATOM 1497 CG2 THR E 229 -7.313 -99.236 -0.157 1.00 5.03 C ATOM 1498 N LYS E 230 -7.987 -98.757 3.145 1.00 7.23 N ATOM 1499 CA LYS E 230 -7.144 -98.440 4.296 1.00 8.80 C ATOM 1500 C LYS E 230 -5.680 -98.409 3.869 1.00 8.73 C ATOM 1501 O LYS E 230 -5.012 -99.442 3.819 1.00 8.99 O ATOM 1502 CB LYS E 230 -7.369 -99.493 5.378 1.00 10.94 C ATOM 1503 CG LYS E 230 -6.731 -99.176 6.700 1.00 13.09 C ATOM 1504 CD LYS E 230 -6.697-100.409 7.565 1.00 16.36 C ATOM 1505 CE LYS E 230 -7.177-100.098 8.962 1.00 23.33 C ATOM 1506 NZ LYS E 230 -7.343-101.348 9.753 1.00 26.28 N ATOM 1507 N VAL E 231 -5.190 -97.207 3.576 1.00 7.59 N ATOM 1508 CA VAL E 231 -3.829 -96.995 3.083 1.00 6.95 C ATOM 1509 C VAL E 231 -2.659 -97.509 3.917 1.00 7.45 C ATOM 1510 O VAL E 231 -1.634 -97.896 3.363 1.00 8.02 O ATOM 1511 CB VAL E 231 -3.613 -95.491 2.782 1.00 7.52 C ATOM 1512 CG1 VAL E 231 -2.200 -95.236 2.283 1.00 8.65 C ATOM 1513 CG2 VAL E 231 -4.636 -95.030 1.740 1.00 7.40 C ATOM 1514 N CYS E 232 -2.801 -97.531 5.236 1.00 7.38 N ATOM 1515 CA CYS E 232 -1.704 -97.987 6.087 1.00 9.04 C ATOM 1516 C CYS E 232 -1.285 -99.439 5.835 1.00 9.82 C ATOM 1517 O CYS E 232 -0.173 -99.832 6.184 1.00 10.85 O ATOM 1518 CB CYS E 232 -2.061 -97.793 7.559 1.00 9.40 C ATOM 1519 SG CYS E 232 -3.504 -98.746 8.109 1.00 10.68 S ATOM 1520 N ASN E 233 -2.165-100.231 5.226 1.00 9.25 N ATOM 1521 CA ASN E 233 -1.859-101.630 4.918 1.00 9.84 C ATOM 1522 C ASN E 233 -1.016-101.768 3.643 1.00 10.83 C ATOM 1523 O ASN E 233 -0.550-102.858 3.322 1.00 12.33 O ATOM 1524 CB ASN E 233 -3.152-102.425 4.706 1.00 8.57 C ATOM 1525 CG ASN E 233 -3.841-102.782 5.996 1.00 10.96 C ATOM 1526 OD1 ASN E 233 -3.380-102.430 7.076 1.00 12.43 O ATOM 1527 ND2 ASN E 233 -4.960-103.490 5.892 1.00 11.29 N ATOM 1528 N TYR E 234 -0.821-100.671 2.915 1.00 10.31 N ATOM 1529 CA TYR E 234 -0.088-100.724 1.650 1.00 8.89 C ATOM 1530 C TYR E 234 1.167 -99.875 1.547 1.00 9.82 C ATOM 1531 O TYR E 234 1.734 -99.742 0.460 1.00 11.07 O ATOM 1532 CB TYR E 234 -1.028-100.326 0.506 1.00 10.34 C ATOM 1533 CG TYR E 234 -2.298-101.141 0.453 1.00 9.18 C ATOM 1534 CD1 TYR E 234 -2.362-102.303 -0.306 1.00 9.36 C ATOM 1535 CD2 TYR E 234 -3.428-100.763 1.176 1.00 8.98 C ATOM 1536 CE1 TYR E 234 -3.513-103.070 -0.344 1.00 10.35 C ATOM 1537 CE2 TYR E 234 -4.590-101.528 1.144 1.00 8.81 C ATOM 1538 CZ TYR E 234 -4.621-102.682 0.383 1.00 8.43 C ATOM 1539 OH TYR E 234 -5.749-103.466 0.367 1.00 10.22 O ATOM 1540 N VAL E 235 1.618 -99.306 2.657 1.00 9.66 N ATOM 1541 CA VAL E 235 2.791 -98.448 2.591 1.00 10.80 C ATOM 1542 C VAL E 235 4.010 -99.133 1.981 1.00 10.91 C ATOM 1543 O VAL E 235 4.684 -98.548 1.139 1.00 11.38 O ATOM 1544 CB VAL E 235 3.137 -97.873 3.973 1.00 10.87 C ATOM 1545 CG1 VAL E 235 4.459 -97.119 3.905 1.00 11.89 C ATOM 1546 CG2 VAL E 235 2.022 -96.937 4.427 1.00 11.67 C ATOM 1547 N ASP E 236 4.289-100.372 2.376 1.00 10.75 N ATOM 1548 CA ASP E 236 5.445-101.070 1.819 1.00 10.89 C ATOM 1549 C ASP E 236 5.259-101.401 0.344 1.00 11.24 C ATOM 1550 O ASP E 236 6.198-101.278 -0.442 1.00 12.47 O ATOM 1551 CB ASP E 236 5.731-102.339 2.614 1.00 13.25 C ATOM 1552 CG ASP E 236 6.220-102.039 4.014 1.00 12.37 C ATOM 1553 OD1 ASP E 236 7.064-101.128 4.178 1.00 15.05 O ATOM 1554 OD2 ASP E 236 5.752-102.715 4.946 1.00 16.98 O ATOM 1555 N TRP E 237 4.054-101.812 -0.037 1.00 10.91 N ATOM 1556 CA TRP E 237 3.792-102.123 -1.435 1.00 10.78 C ATOM 1557 C TRP E 237 4.022-100.866 -2.274 1.00 11.49 C ATOM 1558 O TRP E 237 4.636-100.924 -3.339 1.00 11.28 O ATOM 1559 CB TRP E 237 2.353-102.614 -1.626 1.00 11.12 C ATOM 1560 CG TRP E 237 2.009-102.835 -3.069 1.00 12.16 C ATOM 1561 CD1 TRP E 237 2.438-103.858 -3.866 1.00 12.44 C ATOM 1562 CD2 TRP E 237 1.230-101.972 -3.917 1.00 12.96 C ATOM 1563 NE1 TRP E 237 1.988-103.685 -5.152 1.00 12.99 N ATOM 1564 CE2 TRP E 237 1.244-102.533 -5.211 1.00 13.19 C ATOM 1565 CE3 TRP E 237 0.533-100.772 -3.702 1.00 12.35 C ATOM 1566 CZ2 TRP E 237 0.579-101.938 -6.296 1.00 12.93 C ATOM 1567 CZ3 TRP E 237 -0.130-100.183 -4.781 1.00 11.04 C ATOM 1568 CH2 TRP E 237 -0.096-100.764 -6.060 1.00 11.48 C ATOM 1569 N ILE E 238 3.539 -99.727 -1.785 1.00 10.44 N ATOM 1570 CA ILE E 238 3.693 -98.466 -2.504 1.00 11.62 C ATOM 1571 C ILE E 238 5.168 -98.118 -2.678 1.00 11.66 C ATOM 1572 O ILE E 238 5.630 -97.870 -3.795 1.00 10.88 O ATOM 1573 CB ILE E 238 2.982 -97.292 -1.763 1.00 10.52 C ATOM 1574 CG1 ILE E 238 1.460 -97.426 -1.898 1.00 11.25 C ATOM 1575 CG2 ILE E 238 3.441 -95.956 -2.334 1.00 10.59 C ATOM 1576 CD1 ILE E 238 0.687 -96.527 -0.954 1.00 13.20 C ATOM 1577 N GLN E 239 5.905 -98.115 -1.572 1.00 12.07 N ATOM 1578 CA GLN E 239 7.321 -97.786 -1.611 1.00 14.38 C ATOM 1579 C GLN E 239 8.115 -98.757 -2.477 1.00 14.46 C ATOM 1580 O GLN E 239 8.982 -98.341 -3.241 1.00 15.50 O ATOM 1581 CB GLN E 239 7.889 -97.747 -0.192 1.00 17.75 C ATOM 1582 CG GLN E 239 7.317 -96.605 0.646 1.00 21.78 C ATOM 1583 CD GLN E 239 7.875 -96.564 2.059 1.00 26.23 C ATOM 1584 OE1 GLN E 239 8.250 -97.594 2.621 1.00 28.96 O ATOM 1585 NE2 GLN E 239 7.929 -95.368 2.642 1.00 28.70 N ATOM 1586 N ASP E 240 7.809-100.045 -2.372 1.00 14.63 N ATOM 1587 CA ASP E 240 8.504-101.055 -3.159 1.00 15.75 C ATOM 1588 C ASP E 240 8.235-100.855 -4.649 1.00 15.76 C ATOM 1589 O ASP E 240 9.137-100.961 -5.472 1.00 16.86 O ATOM 1590 CB ASP E 240 8.048-102.456 -2.743 1.00 17.65 C ATOM 1591 CG ASP E 240 8.610-102.885 -1.395 1.00 21.27 C ATOM 1592 OD1 ASP E 240 9.442-102.147 -0.815 1.00 21.55 O ATOM 1593 OD2 ASP E 240 8.214-103.970 -0.916 1.00 22.16 O ATOM 1594 N THR E 241 6.984-100.561 -4.987 1.00 15.57 N ATOM 1595 CA THR E 241 6.583-100.357 -6.377 1.00 14.82 C ATOM 1596 C THR E 241 7.205 -99.116 -7.001 1.00 14.22 C ATOM 1597 O THR E 241 7.596 -99.133 -8.164 1.00 16.17 O ATOM 1598 CB THR E 241 5.055-100.255 -6.491 1.00 14.64 C ATOM 1599 OG1 THR E 241 4.469-101.461 -5.985 1.00 15.42 O ATOM 1600 CG2 THR E 241 4.632-100.050 -7.948 1.00 15.36 C ATOM 1601 N ILE E 242 7.291 -98.039 -6.233 1.00 14.48 N ATOM 1602 CA ILE E 242 7.875 -96.804 -6.733 1.00 16.44 C ATOM 1603 C ILE E 242 9.369 -96.972 -6.995 1.00 17.85 C ATOM 1604 O ILE E 242 9.881 -96.531 -8.022 1.00 18.97 O ATOM 1605 CB ILE E 242 7.684 -95.656 -5.732 1.00 16.94 C ATOM 1606 CG1 ILE E 242 6.215 -95.228 -5.714 1.00 16.90 C ATOM 1607 CG2 ILE E 242 8.595 -94.484 -6.100 1.00 17.36 C ATOM 1608 CD1 ILE E 242 5.871 -94.285 -4.578 1.00 17.64 C ATOM 1609 N ALA E 243 10.063 -97.610 -6.058 1.00 19.63 N ATOM 1610 CA ALA E 243 11.502 -97.826 -6.191 1.00 21.80 C ATOM 1611 C ALA E 243 11.850 -98.696 -7.394 1.00 23.25 C ATOM 1612 O ALA E 243 12.910 -98.524 -8.001 1.00 25.77 O ATOM 1613 CB ALA E 243 12.056 -98.457 -4.922 1.00 21.80 C ATOM 1614 N ALA E 244 10.958 -99.619 -7.739 1.00 22.27 N ATOM 1615 CA ALA E 244 11.183-100.526 -8.858 1.00 23.70 C ATOM 1616 C ALA E 244 10.722-100.002 -10.221 1.00 24.18 C ATOM 1617 O ALA E 244 11.027-100.601 -11.255 1.00 25.07 O ATOM 1618 CB ALA E 244 10.505-101.854 -8.572 1.00 23.19 C ATOM 1619 N ASN E 245 9.995 -98.890 -10.230 1.00 25.11 N ATOM 1620 CA ASN E 245 9.487 -98.341 -11.480 1.00 25.03 C ATOM 1621 C ASN E 245 9.858 -96.887 -11.682 1.00 27.00 C ATOM 1622 O ASN E 245 9.261 -96.270 -12.591 1.00 29.61 O ATOM 1623 CB ASN E 245 7.967 -98.481 -11.528 1.00 24.17 C ATOM 1624 CG ASN E 245 7.519 -99.923 -11.611 1.00 25.18 C ATOM 1625 OD1 ASN E 245 7.482-100.509 -12.695 1.00 24.44 O ATOM 1626 ND2 ASN E 245 7.175-100.507 -10.464 1.00 25.20 N ATOM 1627 OXT ASN E 245 10.728 -96.387 -10.939 1.00 30.00 O TER 1628 ASN E 245 ATOM 1629 N ARG I 1 -37.940-107.279 -26.739 1.00 15.35 N ATOM 1630 CA ARG I 1 -36.501-107.089 -26.404 1.00 16.79 C ATOM 1631 C ARG I 1 -36.173-107.731 -25.056 1.00 16.81 C ATOM 1632 O ARG I 1 -37.068-108.044 -24.273 1.00 16.15 O ATOM 1633 CB ARG I 1 -36.160-105.594 -26.374 1.00 16.12 C ATOM 1634 CG ARG I 1 -36.464-104.906 -25.048 1.00 19.90 C ATOM 1635 CD ARG I 1 -36.485-103.402 -25.222 1.00 21.08 C ATOM 1636 NE ARG I 1 -37.725-102.939 -25.838 1.00 24.06 N ATOM 1637 CZ ARG I 1 -37.799-102.329 -27.017 1.00 24.47 C ATOM 1638 NH1 ARG I 1 -36.700-102.083 -27.713 1.00 25.01 N ATOM 1639 NH2 ARG I 1 -38.976-101.946 -27.493 1.00 24.57 N ATOM 1640 N PRO I 2 -34.874-107.931 -24.764 1.00 17.09 N ATOM 1641 CA PRO I 2 -34.453-108.544 -23.496 1.00 17.81 C ATOM 1642 C PRO I 2 -34.891-107.774 -22.254 1.00 16.85 C ATOM 1643 O PRO I 2 -34.976-106.549 -22.271 1.00 16.20 O ATOM 1644 CB PRO I 2 -32.928-108.622 -23.618 1.00 17.17 C ATOM 1645 CG PRO I 2 -32.668-108.549 -25.094 1.00 17.98 C ATOM 1646 CD PRO I 2 -33.716-107.608 -25.612 1.00 17.66 C ATOM 1647 N ASP I 3 -35.164-108.505 -21.177 1.00 17.88 N ATOM 1648 CA ASP I 3 -35.632-107.906 -19.927 1.00 18.79 C ATOM 1649 C ASP I 3 -34.685-106.894 -19.285 1.00 17.88 C ATOM 1650 O ASP I 3 -35.140-105.903 -18.714 1.00 18.18 O ATOM 1651 CB ASP I 3 -35.980-108.998 -18.897 1.00 20.98 C ATOM 1652 CG ASP I 3 -34.790-109.876 -18.536 1.00 23.55 C ATOM 1653 OD1 ASP I 3 -33.724-109.754 -19.178 1.00 23.63 O ATOM 1654 OD2 ASP I 3 -34.929-110.695 -17.602 1.00 27.25 O ATOM 1655 N PHE I 4 -33.379-107.127 -19.381 1.00 17.56 N ATOM 1656 CA PHE I 4 -32.422-106.207 -18.771 1.00 17.70 C ATOM 1657 C PHE I 4 -32.444-104.805 -19.377 1.00 17.70 C ATOM 1658 O PHE I 4 -31.962-103.848 -18.771 1.00 17.14 O ATOM 1659 CB PHE I 4 -31.007-106.803 -18.816 1.00 16.14 C ATOM 1660 CG PHE I 4 -30.439-106.956 -20.194 1.00 16.56 C ATOM 1661 CD1 PHE I 4 -29.999-105.847 -20.910 1.00 16.63 C ATOM 1662 CD2 PHE I 4 -30.296-108.219 -20.765 1.00 17.28 C ATOM 1663 CE1 PHE I 4 -29.418-105.994 -22.172 1.00 17.37 C ATOM 1664 CE2 PHE I 4 -29.716-108.373 -22.026 1.00 16.67 C ATOM 1665 CZ PHE I 4 -29.278-107.252 -22.727 1.00 16.64 C ATOM 1666 N CYS I 5 -33.030-104.686 -20.564 1.00 18.21 N ATOM 1667 CA CYS I 5 -33.135-103.410 -21.268 1.00 18.21 C ATOM 1668 C CYS I 5 -34.195-102.523 -20.632 1.00 18.27 C ATOM 1669 O CYS I 5 -34.195-101.306 -20.805 1.00 18.86 O ATOM 1670 CB CYS I 5 -33.510-103.650 -22.731 1.00 17.46 C ATOM 1671 SG CYS I 5 -32.267-104.566 -23.683 1.00 18.91 S ATOM 1672 N LEU I 6 -35.109-103.147 -19.903 1.00 18.88 N ATOM 1673 CA LEU I 6 -36.185-102.420 -19.254 1.00 20.31 C ATOM 1674 C LEU I 6 -35.840-102.062 -17.811 1.00 21.53 C ATOM 1675 O LEU I 6 -36.631-101.419 -17.123 1.00 22.27 O ATOM 1676 CB LEU I 6 -37.479-103.248 -19.306 1.00 21.58 C ATOM 1677 CG LEU I 6 -37.891-103.796 -20.681 1.00 21.58 C ATOM 1678 CD1 LEU I 6 -39.151-104.637 -20.533 1.00 22.24 C ATOM 1679 CD2 LEU I 6 -38.122-102.653 -21.657 1.00 20.40 C ATOM 1680 N GLU I 7 -34.660-102.471 -17.353 1.00 22.06 N ATOM 1681 CA GLU I 7 -34.244-102.171 -15.988 1.00 22.23 C ATOM 1682 C GLU I 7 -33.682-100.752 -15.916 1.00 21.62 C ATOM 1683 O GLU I 7 -33.074-100.260 -16.873 1.00 21.13 O ATOM 1684 CB GLU I 7 -33.170-103.155 -15.519 1.00 25.81 C ATOM 1685 CG GLU I 7 -33.690-104.496 -14.998 1.00 31.06 C ATOM 1686 CD GLU I 7 -34.728-104.355 -13.894 1.00 34.43 C ATOM 1687 OE1 GLU I 7 -35.937-104.289 -14.214 1.00 36.35 O ATOM 1688 OE2 GLU I 7 -34.335-104.317 -12.706 1.00 37.46 O ATOM 1689 N PRO I 8 -33.901-100.066 -14.785 1.00 20.50 N ATOM 1690 CA PRO I 8 -33.384 -98.701 -14.629 1.00 20.50 C ATOM 1691 C PRO I 8 -31.860 -98.745 -14.636 1.00 18.38 C ATOM 1692 O PRO I 8 -31.266 -99.771 -14.313 1.00 19.36 O ATOM 1693 CB PRO I 8 -33.948 -98.246 -13.281 1.00 20.42 C ATOM 1694 CG PRO I 8 -34.331 -99.501 -12.565 1.00 21.07 C ATOM 1695 CD PRO I 8 -34.659-100.522 -13.609 1.00 20.86 C ATOM 1696 N PRO I 9 -31.202 -97.639 -15.018 1.00 18.55 N ATOM 1697 CA PRO I 9 -29.736 -97.676 -15.029 1.00 18.11 C ATOM 1698 C PRO I 9 -29.193 -97.888 -13.617 1.00 16.82 C ATOM 1699 O PRO I 9 -29.756 -97.378 -12.643 1.00 16.96 O ATOM 1700 CB PRO I 9 -29.342 -96.322 -15.611 1.00 17.27 C ATOM 1701 CG PRO I 9 -30.516 -95.440 -15.352 1.00 19.34 C ATOM 1702 CD PRO I 9 -31.731 -96.325 -15.423 1.00 17.96 C ATOM 1703 N TYR I 10 -28.102 -98.638 -13.516 1.00 14.59 N ATOM 1704 CA TYR I 10 -27.507 -98.964 -12.231 1.00 13.97 C ATOM 1705 C TYR I 10 -26.133 -98.323 -12.023 1.00 12.82 C ATOM 1706 O TYR I 10 -25.133 -98.756 -12.608 1.00 12.64 O ATOM 1707 CB TYR I 10 -27.401-100.487 -12.117 1.00 13.39 C ATOM 1708 CG TYR I 10 -26.870-101.002 -10.792 1.00 15.67 C ATOM 1709 CD1 TYR I 10 -27.616-100.879 -9.617 1.00 17.49 C ATOM 1710 CD2 TYR I 10 -25.637-101.649 -10.724 1.00 16.43 C ATOM 1711 CE1 TYR I 10 -27.146-101.388 -8.412 1.00 19.40 C ATOM 1712 CE2 TYR I 10 -25.156-102.161 -9.525 1.00 18.42 C ATOM 1713 CZ TYR I 10 -25.915-102.029 -8.373 1.00 20.55 C ATOM 1714 OH TYR I 10 -25.435-102.530 -7.184 1.00 22.10 O ATOM 1715 N THR I 11 -26.094 -97.309 -11.164 1.00 12.57 N ATOM 1716 CA THR I 11 -24.859 -96.597 -10.859 1.00 12.09 C ATOM 1717 C THR I 11 -23.835 -97.497 -10.156 1.00 11.08 C ATOM 1718 O THR I 11 -22.648 -97.446 -10.458 1.00 10.98 O ATOM 1719 CB THR I 11 -25.159 -95.344 -9.995 1.00 12.75 C ATOM 1720 OG1 THR I 11 -25.790 -94.348 -10.813 1.00 14.48 O ATOM 1721 CG2 THR I 11 -23.877 -94.763 -9.411 1.00 12.47 C ATOM 1722 N GLY I 12 -24.294 -98.324 -9.223 1.00 10.47 N ATOM 1723 CA GLY I 12 -23.378 -99.207 -8.521 1.00 10.09 C ATOM 1724 C GLY I 12 -22.824 -98.541 -7.272 1.00 9.75 C ATOM 1725 O GLY I 12 -23.025 -97.345 -7.074 1.00 10.01 O ATOM 1726 N PRO I 13 -22.086 -99.278 -6.432 1.00 9.35 N ATOM 1727 CA PRO I 13 -21.520 -98.738 -5.195 1.00 8.83 C ATOM 1728 C PRO I 13 -20.235 -97.928 -5.312 1.00 8.36 C ATOM 1729 O PRO I 13 -19.895 -97.168 -4.415 1.00 8.83 O ATOM 1730 CB PRO I 13 -21.311 -99.984 -4.353 1.00 10.84 C ATOM 1731 CG PRO I 13 -20.941-101.021 -5.362 1.00 11.02 C ATOM 1732 CD PRO I 13 -21.726-100.696 -6.613 1.00 10.08 C ATOM 1733 N CYS I 14 -19.513 -98.089 -6.410 1.00 8.38 N ATOM 1734 CA CYS I 14 -18.266 -97.356 -6.557 1.00 8.42 C ATOM 1735 C CYS I 14 -18.538 -95.886 -6.835 1.00 8.39 C ATOM 1736 O CYS I 14 -19.586 -95.519 -7.377 1.00 7.02 O ATOM 1737 CB CYS I 14 -17.408 -97.990 -7.647 1.00 6.85 C ATOM 1738 SG CYS I 14 -16.716 -99.569 -7.066 1.00 8.69 S ATOM 1739 N LYS I 15 -17.586 -95.039 -6.466 1.00 7.51 N ATOM 1740 CA LYS I 15 -17.786 -93.606 -6.615 1.00 7.80 C ATOM 1741 C LYS I 15 -17.021 -92.863 -7.702 1.00 7.80 C ATOM 1742 O LYS I 15 -16.615 -91.713 -7.516 1.00 7.65 O ATOM 1743 CB LYS I 15 -17.574 -92.951 -5.250 1.00 7.29 C ATOM 1744 CG LYS I 15 -18.559 -93.506 -4.221 1.00 7.10 C ATOM 1745 CD LYS I 15 -18.303 -92.989 -2.819 1.00 7.81 C ATOM 1746 CE LYS I 15 -19.498 -93.279 -1.911 1.00 8.49 C ATOM 1747 NZ LYS I 15 -19.187 -93.004 -0.478 1.00 9.07 N ATOM 1748 N ALA I 16 -16.831 -93.514 -8.844 1.00 8.12 N ATOM 1749 CA ALA I 16 -16.166 -92.865 -9.967 1.00 9.38 C ATOM 1750 C ALA I 16 -17.309 -92.165 -10.693 1.00 9.57 C ATOM 1751 O ALA I 16 -18.468 -92.317 -10.312 1.00 7.76 O ATOM 1752 CB ALA I 16 -15.522 -93.896 -10.879 1.00 9.36 C ATOM 1753 N ARG I 17 -16.991 -91.400 -11.725 1.00 10.07 N ATOM 1754 CA ARG I 17 -18.022 -90.721 -12.477 1.00 11.27 C ATOM 1755 C ARG I 17 -17.735 -91.029 -13.936 1.00 10.58 C ATOM 1756 O ARG I 17 -17.006 -90.306 -14.617 1.00 10.30 O ATOM 1757 CB ARG I 17 -17.951 -89.236 -12.189 1.00 13.34 C ATOM 1758 CG ARG I 17 -18.968 -88.426 -12.961 1.00 15.74 C ATOM 1759 CD ARG I 17 -18.397 -87.070 -13.228 1.00 22.16 C ATOM 1760 NE ARG I 17 -19.172 -86.352 -14.239 1.00 26.96 N ATOM 1761 CZ ARG I 17 -18.683 -85.409 -15.035 1.00 28.25 C ATOM 1762 NH1 ARG I 17 -17.392 -85.104 -14.896 1.00 26.39 N ATOM 1763 NH2 ARG I 17 -19.429 -84.768 -15.885 1.00 32.04 N ATOM 1764 N ILE I 18 -18.315 -92.130 -14.392 1.00 10.66 N ATOM 1765 CA ILE I 18 -18.122 -92.607 -15.747 1.00 11.17 C ATOM 1766 C ILE I 18 -19.444 -92.555 -16.505 1.00 12.08 C ATOM 1767 O ILE I 18 -20.439 -93.137 -16.077 1.00 12.52 O ATOM 1768 CB ILE I 18 -17.566 -94.046 -15.702 1.00 10.24 C ATOM 1769 CG1 ILE I 18 -16.170 -94.022 -15.063 1.00 11.09 C ATOM 1770 CG2 ILE I 18 -17.491 -94.636 -17.095 1.00 9.79 C ATOM 1771 CD1 ILE I 18 -15.796 -95.282 -14.315 1.00 12.57 C ATOM 1772 N ILE I 19 -19.453 -91.846 -17.628 1.00 11.29 N ATOM 1773 CA ILE I 19 -20.666 -91.718 -18.421 1.00 13.62 C ATOM 1774 C ILE I 19 -20.852 -92.937 -19.318 1.00 12.77 C ATOM 1775 O ILE I 19 -19.985 -93.276 -20.132 1.00 13.61 O ATOM 1776 CB ILE I 19 -20.635 -90.446 -19.296 1.00 14.45 C ATOM 1777 CG1 ILE I 19 -20.278 -89.227 -18.437 1.00 16.32 C ATOM 1778 CG2 ILE I 19 -22.004 -90.225 -19.946 1.00 14.91 C ATOM 1779 CD1 ILE I 19 -21.191 -89.014 -17.225 1.00 18.28 C ATOM 1780 N ARG I 20 -21.984 -93.606 -19.145 1.00 12.54 N ATOM 1781 CA ARG I 20 -22.294 -94.788 -19.930 1.00 12.33 C ATOM 1782 C ARG I 20 -23.667 -94.608 -20.538 1.00 12.78 C ATOM 1783 O ARG I 20 -24.374 -93.654 -20.219 1.00 12.77 O ATOM 1784 CB ARG I 20 -22.286 -96.028 -19.036 1.00 11.23 C ATOM 1785 CG ARG I 20 -20.912 -96.424 -18.566 1.00 10.78 C ATOM 1786 CD ARG I 20 -20.078 -96.966 -19.713 1.00 10.64 C ATOM 1787 NE ARG I 20 -18.738 -97.336 -19.268 1.00 12.38 N ATOM 1788 CZ ARG I 20 -18.463 -98.437 -18.572 1.00 15.48 C ATOM 1789 NH1 ARG I 20 -19.433 -99.281 -18.242 1.00 12.77 N ATOM 1790 NH2 ARG I 20 -17.215 -98.696 -18.198 1.00 16.73 N ATOM 1791 N TYR I 21 -24.051 -95.526 -21.412 1.00 13.97 N ATOM 1792 CA TYR I 21 -25.362 -95.446 -22.026 1.00 15.53 C ATOM 1793 C TYR I 21 -26.248 -96.552 -21.495 1.00 15.20 C ATOM 1794 O TYR I 21 -25.777 -97.620 -21.126 1.00 15.06 O ATOM 1795 CB TYR I 21 -25.260 -95.574 -23.544 1.00 17.66 C ATOM 1796 CG TYR I 21 -24.635 -94.384 -24.206 1.00 20.37 C ATOM 1797 CD1 TYR I 21 -23.253 -94.292 -24.333 1.00 23.92 C ATOM 1798 CD2 TYR I 21 -25.419 -93.357 -24.725 1.00 22.33 C ATOM 1799 CE1 TYR I 21 -22.664 -93.212 -24.965 1.00 26.37 C ATOM 1800 CE2 TYR I 21 -24.843 -92.271 -25.361 1.00 24.70 C ATOM 1801 CZ TYR I 21 -23.464 -92.207 -25.479 1.00 26.93 C ATOM 1802 OH TYR I 21 -22.884 -91.151 -26.132 1.00 31.64 O ATOM 1803 N PHE I 22 -27.542 -96.276 -21.452 1.00 16.45 N ATOM 1804 CA PHE I 22 -28.527 -97.244 -21.001 1.00 17.33 C ATOM 1805 C PHE I 22 -29.772 -97.039 -21.862 1.00 18.82 C ATOM 1806 O PHE I 22 -30.073 -95.908 -22.253 1.00 18.06 O ATOM 1807 CB PHE I 22 -28.843 -97.037 -19.509 1.00 16.50 C ATOM 1808 CG PHE I 22 -29.848 -95.955 -19.235 1.00 15.85 C ATOM 1809 CD1 PHE I 22 -29.471 -94.623 -19.276 1.00 16.97 C ATOM 1810 CD2 PHE I 22 -31.173 -96.271 -18.941 1.00 18.12 C ATOM 1811 CE1 PHE I 22 -30.398 -93.609 -19.027 1.00 18.81 C ATOM 1812 CE2 PHE I 22 -32.110 -95.268 -18.690 1.00 18.50 C ATOM 1813 CZ PHE I 22 -31.717 -93.931 -18.736 1.00 18.53 C ATOM 1814 N TYR I 23 -30.485 -98.118 -22.173 1.00 18.45 N ATOM 1815 CA TYR I 23 -31.687 -97.986 -22.986 1.00 21.00 C ATOM 1816 C TYR I 23 -32.855 -97.548 -22.114 1.00 21.70 C ATOM 1817 O TYR I 23 -33.178 -98.207 -21.126 1.00 19.42 O ATOM 1818 CB TYR I 23 -32.026 -99.310 -23.685 1.00 20.79 C ATOM 1819 CG TYR I 23 -33.291 -99.240 -24.529 1.00 22.35 C ATOM 1820 CD1 TYR I 23 -33.294 -98.605 -25.777 1.00 20.67 C ATOM 1821 CD2 TYR I 23 -34.499 -99.753 -24.047 1.00 22.47 C ATOM 1822 CE1 TYR I 23 -34.464 -98.476 -26.515 1.00 22.48 C ATOM 1823 CE2 TYR I 23 -35.678 -99.626 -24.781 1.00 23.35 C ATOM 1824 CZ TYR I 23 -35.652 -98.984 -26.010 1.00 23.16 C ATOM 1825 OH TYR I 23 -36.820 -98.837 -26.722 1.00 25.41 O ATOM 1826 N ASN I 24 -33.475 -96.427 -22.477 1.00 25.44 N ATOM 1827 CA ASN I 24 -34.624 -95.902 -21.732 1.00 29.35 C ATOM 1828 C ASN I 24 -35.905 -96.288 -22.458 1.00 32.11 C ATOM 1829 O ASN I 24 -36.236 -95.705 -23.490 1.00 31.83 O ATOM 1830 CB ASN I 24 -34.557 -94.375 -21.609 1.00 29.88 C ATOM 1831 CG ASN I 24 -35.666 -93.811 -20.728 1.00 30.28 C ATOM 1832 OD1 ASN I 24 -36.585 -94.526 -20.331 1.00 31.34 O ATOM 1833 ND2 ASN I 24 -35.578 -92.526 -20.415 1.00 31.01 N ATOM 1834 N ALA I 25 -36.613 -97.275 -21.918 1.00 35.45 N ATOM 1835 CA ALA I 25 -37.848 -97.755 -22.522 1.00 39.19 C ATOM 1836 C ALA I 25 -38.882 -96.644 -22.680 1.00 41.79 C ATOM 1837 O ALA I 25 -39.398 -96.417 -23.774 1.00 42.92 O ATOM 1838 CB ALA I 25 -38.424 -98.889 -21.687 1.00 40.73 C ATOM 1839 N LYS I 26 -39.188 -95.957 -21.584 1.00 44.01 N ATOM 1840 CA LYS I 26 -40.171 -94.880 -21.610 1.00 46.09 C ATOM 1841 C LYS I 26 -39.875 -93.877 -22.724 1.00 45.93 C ATOM 1842 O LYS I 26 -40.794 -93.342 -23.342 1.00 47.95 O ATOM 1843 CB LYS I 26 -40.204 -94.175 -20.249 1.00 48.98 C ATOM 1844 CG LYS I 26 -40.825 -92.785 -20.256 1.00 53.79 C ATOM 1845 CD LYS I 26 -40.396 -91.990 -19.025 1.00 58.11 C ATOM 1846 CE LYS I 26 -41.492 -91.026 -18.583 1.00 59.77 C ATOM 1847 NZ LYS I 26 -41.482 -90.795 -17.111 1.00 61.29 N ATOM 1848 N ALA I 27 -38.594 -93.628 -22.984 1.00 44.57 N ATOM 1849 CA ALA I 27 -38.195 -92.690 -24.030 1.00 42.81 C ATOM 1850 C ALA I 27 -37.989 -93.420 -25.350 1.00 41.57 C ATOM 1851 O ALA I 27 -37.929 -92.800 -26.413 1.00 41.75 O ATOM 1852 CB ALA I 27 -36.914 -91.964 -23.627 1.00 43.48 C ATOM 1853 N GLY I 28 -37.874 -94.741 -25.275 1.00 39.55 N ATOM 1854 CA GLY I 28 -37.682 -95.535 -26.472 1.00 37.97 C ATOM 1855 C GLY I 28 -36.296 -95.419 -27.080 1.00 37.37 C ATOM 1856 O GLY I 28 -36.087 -95.824 -28.227 1.00 37.38 O ATOM 1857 N LEU I 29 -35.342 -94.884 -26.320 1.00 35.65 N ATOM 1858 CA LEU I 29 -33.979 -94.732 -26.824 1.00 34.05 C ATOM 1859 C LEU I 29 -32.909 -94.785 -25.744 1.00 31.21 C ATOM 1860 O LEU I 29 -33.204 -94.821 -24.549 1.00 30.46 O ATOM 1861 CB LEU I 29 -33.845 -93.417 -27.591 1.00 36.52 C ATOM 1862 CG LEU I 29 -34.346 -92.163 -26.871 1.00 39.08 C ATOM 1863 CD1 LEU I 29 -33.348 -91.734 -25.817 1.00 40.22 C ATOM 1864 CD2 LEU I 29 -34.560 -91.052 -27.884 1.00 40.08 C ATOM 1865 N CYS I 30 -31.659 -94.766 -26.192 1.00 28.66 N ATOM 1866 CA CYS I 30 -30.517 -94.821 -25.299 1.00 26.89 C ATOM 1867 C CYS I 30 -30.080 -93.433 -24.863 1.00 26.86 C ATOM 1868 O CYS I 30 -29.941 -92.519 -25.678 1.00 27.34 O ATOM 1869 CB CYS I 30 -29.365 -95.530 -25.994 1.00 25.54 C ATOM 1870 SG CYS I 30 -29.736 -97.263 -26.368 1.00 23.52 S ATOM 1871 N GLN I 31 -29.869 -93.282 -23.563 1.00 25.46 N ATOM 1872 CA GLN I 31 -29.450 -92.013 -23.002 1.00 24.56 C ATOM 1873 C GLN I 31 -28.238 -92.263 -22.125 1.00 24.21 C ATOM 1874 O GLN I 31 -27.761 -93.391 -22.027 1.00 24.72 O ATOM 1875 CB GLN I 31 -30.596 -91.410 -22.197 1.00 24.84 C ATOM 1876 CG GLN I 31 -31.847 -91.261 -23.042 1.00 28.57 C ATOM 1877 CD GLN I 31 -33.022 -90.687 -22.289 1.00 29.45 C ATOM 1878 OE1 GLN I 31 -33.238 -90.996 -21.121 1.00 29.05 O ATOM 1879 NE2 GLN I 31 -33.797 -89.845 -22.963 1.00 31.54 N ATOM 1880 N THR I 32 -27.728 -91.211 -21.501 1.00 22.60 N ATOM 1881 CA THR I 32 -26.560 -91.351 -20.653 1.00 19.41 C ATOM 1882 C THR I 32 -26.893 -91.315 -19.180 1.00 17.52 C ATOM 1883 O THR I 32 -27.902 -90.754 -18.760 1.00 17.89 O ATOM 1884 CB THR I 32 -25.532 -90.247 -20.920 1.00 19.16 C ATOM 1885 OG1 THR I 32 -26.157 -88.970 -20.761 1.00 20.81 O ATOM 1886 CG2 THR I 32 -24.961 -90.371 -22.314 1.00 19.51 C ATOM 1887 N PHE I 33 -26.023 -91.936 -18.399 1.00 15.09 N ATOM 1888 CA PHE I 33 -26.179 -91.976 -16.960 1.00 13.59 C ATOM 1889 C PHE I 33 -24.792 -92.097 -16.359 1.00 11.94 C ATOM 1890 O PHE I 33 -23.823 -92.393 -17.064 1.00 11.60 O ATOM 1891 CB PHE I 33 -27.079 -93.147 -16.539 1.00 11.78 C ATOM 1892 CG PHE I 33 -26.384 -94.484 -16.475 1.00 11.15 C ATOM 1893 CD1 PHE I 33 -26.212 -95.254 -17.623 1.00 12.78 C ATOM 1894 CD2 PHE I 33 -25.970 -95.007 -15.254 1.00 12.20 C ATOM 1895 CE1 PHE I 33 -25.648 -96.531 -17.553 1.00 11.67 C ATOM 1896 CE2 PHE I 33 -25.404 -96.284 -15.174 1.00 12.45 C ATOM 1897 CZ PHE I 33 -25.243 -97.044 -16.325 1.00 12.27 C ATOM 1898 N VAL I 34 -24.695 -91.849 -15.062 1.00 10.98 N ATOM 1899 CA VAL I 34 -23.413 -91.929 -14.395 1.00 10.75 C ATOM 1900 C VAL I 34 -23.214 -93.286 -13.738 1.00 9.27 C ATOM 1901 O VAL I 34 -23.974 -93.685 -12.858 1.00 11.24 O ATOM 1902 CB VAL I 34 -23.271 -90.826 -13.331 1.00 12.55 C ATOM 1903 CG1 VAL I 34 -22.006 -91.053 -12.518 1.00 12.55 C ATOM 1904 CG2 VAL I 34 -23.236 -89.454 -14.002 1.00 14.03 C ATOM 1905 N TYR I 35 -22.186 -93.988 -14.194 1.00 7.98 N ATOM 1906 CA TYR I 35 -21.827 -95.298 -13.675 1.00 8.27 C ATOM 1907 C TYR I 35 -20.686 -95.093 -12.669 1.00 8.70 C ATOM 1908 O TYR I 35 -19.758 -94.315 -12.920 1.00 9.45 O ATOM 1909 CB TYR I 35 -21.394 -96.186 -14.841 1.00 8.43 C ATOM 1910 CG TYR I 35 -20.790 -97.513 -14.457 1.00 7.03 C ATOM 1911 CD1 TYR I 35 -21.449 -98.388 -13.590 1.00 7.75 C ATOM 1912 CD2 TYR I 35 -19.564 -97.905 -14.982 1.00 7.76 C ATOM 1913 CE1 TYR I 35 -20.898 -99.621 -13.258 1.00 8.96 C ATOM 1914 CE2 TYR I 35 -19.001 -99.134 -14.658 1.00 7.20 C ATOM 1915 CZ TYR I 35 -19.671 -99.989 -13.798 1.00 8.29 C ATOM 1916 OH TYR I 35 -19.114-101.205 -13.483 1.00 10.33 O ATOM 1917 N GLY I 36 -20.767 -95.790 -11.537 1.00 9.83 N ATOM 1918 CA GLY I 36 -19.765 -95.652 -10.492 1.00 9.04 C ATOM 1919 C GLY I 36 -18.411 -96.306 -10.705 1.00 9.74 C ATOM 1920 O GLY I 36 -17.472 -96.023 -9.970 1.00 9.58 O ATOM 1921 N GLY I 37 -18.297 -97.199 -11.683 1.00 9.83 N ATOM 1922 CA GLY I 37 -17.014 -97.833 -11.928 1.00 9.46 C ATOM 1923 C GLY I 37 -16.902 -99.302 -11.572 1.00 10.89 C ATOM 1924 O GLY I 37 -15.867 -99.916 -11.839 1.00 12.53 O ATOM 1925 N CYS I 38 -17.934 -99.878 -10.962 1.00 10.01 N ATOM 1926 CA CYS I 38 -17.889-101.294 -10.626 1.00 10.55 C ATOM 1927 C CYS I 38 -19.269-101.922 -10.541 1.00 12.04 C ATOM 1928 O CYS I 38 -20.273-101.234 -10.322 1.00 13.12 O ATOM 1929 CB CYS I 38 -17.138-101.522 -9.308 1.00 9.47 C ATOM 1930 SG CYS I 38 -17.988-100.966 -7.806 1.00 9.75 S ATOM 1931 N ARG I 39 -19.303-103.237 -10.735 1.00 12.50 N ATOM 1932 CA ARG I 39 -20.532-104.024 -10.672 1.00 15.20 C ATOM 1933 C ARG I 39 -21.647-103.606 -11.626 1.00 14.81 C ATOM 1934 O ARG I 39 -22.816-103.557 -11.244 1.00 14.08 O ATOM 1935 CB ARG I 39 -21.060-104.031 -9.239 1.00 18.75 C ATOM 1936 CG ARG I 39 -20.133-104.732 -8.264 1.00 24.65 C ATOM 1937 CD ARG I 39 -20.747-104.727 -6.888 1.00 33.71 C ATOM 1938 NE ARG I 39 -20.334-105.864 -6.073 1.00 41.64 N ATOM 1939 CZ ARG I 39 -21.074-106.950 -5.870 1.00 44.55 C ATOM 1940 NH1 ARG I 39 -22.280-107.040 -6.415 1.00 46.67 N ATOM 1941 NH2 ARG I 39 -20.624-107.926 -5.086 1.00 47.94 N ATOM 1942 N ALA I 40 -21.279-103.337 -12.875 1.00 14.36 N ATOM 1943 CA ALA I 40 -22.238-102.925 -13.895 1.00 14.49 C ATOM 1944 C ALA I 40 -23.315-103.978 -14.141 1.00 16.58 C ATOM 1945 O ALA I 40 -23.070-105.186 -14.029 1.00 16.66 O ATOM 1946 CB ALA I 40 -21.512-102.646 -15.193 1.00 13.91 C ATOM 1947 N LYS I 41 -24.518-103.516 -14.460 1.00 16.88 N ATOM 1948 CA LYS I 41 -25.594-104.434 -14.780 1.00 17.44 C ATOM 1949 C LYS I 41 -25.561-104.452 -16.309 1.00 17.16 C ATOM 1950 O LYS I 41 -24.745-103.743 -16.904 1.00 17.32 O ATOM 1951 CB LYS I 41 -26.917-103.921 -14.206 1.00 19.17 C ATOM 1952 CG LYS I 41 -27.057-104.279 -12.726 1.00 21.85 C ATOM 1953 CD LYS I 41 -28.286-103.664 -12.091 1.00 27.38 C ATOM 1954 CE LYS I 41 -28.449-104.108 -10.631 1.00 31.60 C ATOM 1955 NZ LYS I 41 -27.479-105.172 -10.229 1.00 34.58 N ATOM 1956 N ARG I 42 -26.414-105.244 -16.952 1.00 15.49 N ATOM 1957 CA ARG I 42 -26.382-105.337 -18.407 1.00 16.06 C ATOM 1958 C ARG I 42 -26.858-104.116 -19.204 1.00 13.68 C ATOM 1959 O ARG I 42 -26.428-103.922 -20.342 1.00 14.00 O ATOM 1960 CB ARG I 42 -27.121-106.607 -18.857 1.00 17.35 C ATOM 1961 CG ARG I 42 -26.309-107.881 -18.608 1.00 21.29 C ATOM 1962 CD ARG I 42 -27.072-109.142 -18.981 1.00 25.42 C ATOM 1963 NE ARG I 42 -28.125-109.441 -18.017 1.00 28.25 N ATOM 1964 CZ ARG I 42 -29.040-110.391 -18.184 1.00 31.09 C ATOM 1965 NH1 ARG I 42 -29.019-111.151 -19.274 1.00 32.35 N ATOM 1966 NH2 ARG I 42 -29.972-110.588 -17.261 1.00 32.59 N ATOM 1967 N ASN I 43 -27.740-103.306 -18.624 1.00 13.71 N ATOM 1968 CA ASN I 43 -28.223-102.104 -19.299 1.00 12.79 C ATOM 1969 C ASN I 43 -27.185-101.016 -19.035 1.00 12.26 C ATOM 1970 O ASN I 43 -27.459-100.007 -18.391 1.00 14.02 O ATOM 1971 CB ASN I 43 -29.582-101.693 -18.735 1.00 12.76 C ATOM 1972 CG ASN I 43 -30.352-100.771 -19.665 1.00 12.65 C ATOM 1973 OD1 ASN I 43 -29.894-100.443 -20.762 1.00 14.22 O ATOM 1974 ND2 ASN I 43 -31.533-100.342 -19.224 1.00 14.35 N ATOM 1975 N ASN I 44 -25.985-101.241 -19.557 1.00 12.63 N ATOM 1976 CA ASN I 44 -24.849-100.336 -19.376 1.00 12.68 C ATOM 1977 C ASN I 44 -23.945-100.529 -20.596 1.00 12.00 C ATOM 1978 O ASN I 44 -23.318-101.574 -20.755 1.00 13.07 O ATOM 1979 CB ASN I 44 -24.125-100.731 -18.082 1.00 12.42 C ATOM 1980 CG ASN I 44 -22.924 -99.877 -17.783 1.00 12.19 C ATOM 1981 OD1 ASN I 44 -22.229 -99.416 -18.683 1.00 13.07 O ATOM 1982 ND2 ASN I 44 -22.661 -99.674 -16.497 1.00 12.28 N ATOM 1983 N PHE I 45 -23.881 -99.518 -21.455 1.00 12.08 N ATOM 1984 CA PHE I 45 -23.090 -99.612 -22.679 1.00 14.40 C ATOM 1985 C PHE I 45 -22.066 -98.493 -22.845 1.00 15.88 C ATOM 1986 O PHE I 45 -22.311 -97.353 -22.462 1.00 14.91 O ATOM 1987 CB PHE I 45 -24.018 -99.610 -23.901 1.00 13.65 C ATOM 1988 CG PHE I 45 -25.107-100.639 -23.845 1.00 14.52 C ATOM 1989 CD1 PHE I 45 -26.326-100.350 -23.243 1.00 15.60 C ATOM 1990 CD2 PHE I 45 -24.917-101.895 -24.408 1.00 16.77 C ATOM 1991 CE1 PHE I 45 -27.346-101.304 -23.202 1.00 15.29 C ATOM 1992 CE2 PHE I 45 -25.928-102.857 -24.374 1.00 16.03 C ATOM 1993 CZ PHE I 45 -27.145-102.559 -23.770 1.00 15.85 C ATOM 1994 N LYS I 46 -20.920 -98.823 -23.430 1.00 18.38 N ATOM 1995 CA LYS I 46 -19.874 -97.830 -23.661 1.00 22.64 C ATOM 1996 C LYS I 46 -20.240 -96.935 -24.839 1.00 24.77 C ATOM 1997 O LYS I 46 -19.656 -95.869 -25.030 1.00 26.34 O ATOM 1998 CB LYS I 46 -18.538 -98.522 -23.947 1.00 24.32 C ATOM 1999 CG LYS I 46 -17.968 -99.272 -22.759 1.00 26.74 C ATOM 2000 CD LYS I 46 -16.467 -99.461 -22.887 1.00 28.05 C ATOM 2001 CE LYS I 46 -15.946-100.338 -21.773 1.00 29.91 C ATOM 2002 NZ LYS I 46 -16.985-101.319 -21.334 1.00 33.92 N ATOM 2003 N SER I 47 -21.220 -97.367 -25.627 1.00 27.33 N ATOM 2004 CA SER I 47 -21.648 -96.593 -26.788 1.00 28.51 C ATOM 2005 C SER I 47 -23.139 -96.679 -27.088 1.00 28.15 C ATOM 2006 O SER I 47 -23.801 -97.662 -26.750 1.00 27.55 O ATOM 2007 CB SER I 47 -20.862 -97.030 -28.028 1.00 30.38 C ATOM 2008 OG SER I 47 -21.364 -98.251 -28.536 1.00 31.55 O ATOM 2009 N ALA I 48 -23.654 -95.631 -27.724 1.00 27.05 N ATOM 2010 CA ALA I 48 -25.058 -95.566 -28.086 1.00 28.02 C ATOM 2011 C ALA I 48 -25.383 -96.626 -29.127 1.00 27.42 C ATOM 2012 O ALA I 48 -26.430 -97.262 -29.072 1.00 26.73 O ATOM 2013 CB ALA I 48 -25.391 -94.187 -28.627 1.00 28.77 C ATOM 2014 N GLU I 49 -24.477 -96.806 -30.080 1.00 28.23 N ATOM 2015 CA GLU I 49 -24.668 -97.785 -31.141 1.00 31.08 C ATOM 2016 C GLU I 49 -24.801 -99.206 -30.597 1.00 30.13 C ATOM 2017 O GLU I 49 -25.611 -99.997 -31.088 1.00 28.86 O ATOM 2018 CB GLU I 49 -23.507 -97.714 -32.134 1.00 35.07 C ATOM 2019 CG GLU I 49 -22.192 -97.243 -31.535 1.00 43.46 C ATOM 2020 CD GLU I 49 -22.082 -95.725 -31.488 1.00 46.53 C ATOM 2021 OE1 GLU I 49 -22.121 -95.160 -30.371 1.00 48.91 O ATOM 2022 OE2 GLU I 49 -21.958 -95.097 -32.565 1.00 49.30 O ATOM 2023 N ASP I 50 -24.005 -99.538 -29.585 1.00 29.81 N ATOM 2024 CA ASP I 50 -24.074-100.869 -28.995 1.00 29.40 C ATOM 2025 C ASP I 50 -25.345-100.965 -28.172 1.00 25.93 C ATOM 2026 O ASP I 50 -25.990-102.005 -28.108 1.00 24.15 O ATOM 2027 CB ASP I 50 -22.864-101.112 -28.103 1.00 34.55 C ATOM 2028 CG ASP I 50 -21.946-102.189 -28.655 1.00 40.48 C ATOM 2029 OD1 ASP I 50 -21.085-101.862 -29.506 1.00 43.88 O ATOM 2030 OD2 ASP I 50 -22.087-103.365 -28.243 1.00 44.20 O ATOM 2031 N CYS I 51 -25.704 -99.855 -27.548 1.00 23.44 N ATOM 2032 CA CYS I 51 -26.902 -99.808 -26.737 1.00 21.94 C ATOM 2033 C CYS I 51 -28.124-100.044 -27.615 1.00 22.50 C ATOM 2034 O CYS I 51 -28.977-100.875 -27.296 1.00 21.39 O ATOM 2035 CB CYS I 51 -27.010 -98.456 -26.041 1.00 20.39 C ATOM 2036 SG CYS I 51 -28.540 -98.269 -25.085 1.00 19.95 S ATOM 2037 N MET I 52 -28.199 -99.324 -28.731 1.00 23.48 N ATOM 2038 CA MET I 52 -29.330 -99.463 -29.645 1.00 25.14 C ATOM 2039 C MET I 52 -29.348-100.820 -30.351 1.00 25.03 C ATOM 2040 O MET I 52 -30.411-101.371 -30.614 1.00 23.11 O ATOM 2041 CB MET I 52 -29.309 -98.347 -30.692 1.00 28.85 C ATOM 2042 CG MET I 52 -30.022 -97.053 -30.275 1.00 33.77 C ATOM 2043 SD MET I 52 -31.610 -97.296 -29.438 1.00 40.40 S ATOM 2044 CE MET I 52 -32.793 -97.077 -30.815 1.00 39.01 C ATOM 2045 N ARG I 53 -28.176-101.365 -30.654 1.00 25.26 N ATOM 2046 CA ARG I 53 -28.122-102.660 -31.323 1.00 26.77 C ATOM 2047 C ARG I 53 -28.643-103.758 -30.409 1.00 25.21 C ATOM 2048 O ARG I 53 -29.428-104.607 -30.823 1.00 26.28 O ATOM 2049 CB ARG I 53 -26.689-103.008 -31.747 1.00 29.48 C ATOM 2050 CG ARG I 53 -26.449-104.518 -31.818 1.00 33.56 C ATOM 2051 CD ARG I 53 -25.077-104.851 -32.368 1.00 36.92 C ATOM 2052 NE ARG I 53 -24.152-105.273 -31.317 1.00 40.88 N ATOM 2053 CZ ARG I 53 -24.298-106.376 -30.586 1.00 42.03 C ATOM 2054 NH1 ARG I 53 -25.340-107.181 -30.786 1.00 41.67 N ATOM 2055 NH2 ARG I 53 -23.393-106.684 -29.662 1.00 43.54 N ATOM 2056 N THR I 54 -28.198-103.726 -29.161 1.00 23.41 N ATOM 2057 CA THR I 54 -28.581-104.722 -28.176 1.00 21.79 C ATOM 2058 C THR I 54 -29.999-104.587 -27.632 1.00 21.39 C ATOM 2059 O THR I 54 -30.691-105.582 -27.455 1.00 21.15 O ATOM 2060 CB THR I 54 -27.596-104.705 -26.987 1.00 20.62 C ATOM 2061 OG1 THR I 54 -26.272-104.983 -27.460 1.00 19.84 O ATOM 2062 CG2 THR I 54 -27.992-105.752 -25.958 1.00 20.85 C ATOM 2063 N CYS I 55 -30.435-103.358 -27.378 1.00 21.67 N ATOM 2064 CA CYS I 55 -31.764-103.121 -26.811 1.00 22.93 C ATOM 2065 C CYS I 55 -32.797-102.488 -27.738 1.00 24.32 C ATOM 2066 O CYS I 55 -33.943-102.292 -27.346 1.00 24.12 O ATOM 2067 CB CYS I 55 -31.640-102.262 -25.550 1.00 20.07 C ATOM 2068 SG CYS I 55 -30.902-103.136 -24.134 1.00 18.36 S ATOM 2069 N GLY I 56 -32.399-102.148 -28.956 1.00 27.62 N ATOM 2070 CA GLY I 56 -33.349-101.560 -29.880 1.00 31.60 C ATOM 2071 C GLY I 56 -34.521-102.485 -30.117 1.00 34.33 C ATOM 2072 O GLY I 56 -34.378-103.690 -29.835 1.00 36.81 O TER 2073 GLY I 56 HETATM 2074 CA CA E 500 -9.088 -74.966 -13.311 1.00 11.67 CA HETATM 2075 S SO4 I 990 -29.476-107.261 -14.951 1.00 49.59 S HETATM 2076 O1 SO4 I 990 -30.364-106.105 -14.906 1.00 50.27 O HETATM 2077 O2 SO4 I 990 -30.226-108.450 -15.535 1.00 51.52 O HETATM 2078 O3 SO4 I 990 -28.232-107.041 -15.848 1.00 49.46 O HETATM 2079 O4 SO4 I 990 -28.962-107.552 -13.548 1.00 51.01 O HETATM 2080 S SO4 I 991 -17.015-102.084 -16.414 1.00 40.99 S HETATM 2081 O1 SO4 I 991 -18.270-101.768 -17.083 1.00 41.36 O HETATM 2082 O2 SO4 I 991 -16.418-103.344 -17.027 1.00 44.21 O HETATM 2083 O3 SO4 I 991 -15.950-100.970 -16.567 1.00 42.53 O HETATM 2084 O4 SO4 I 991 -17.264-102.243 -14.921 1.00 41.78 O HETATM 2085 S SO4 I 992 -15.389 -95.693 -20.647 1.00 69.70 S HETATM 2086 O1 SO4 I 992 -16.818 -95.488 -20.861 1.00 67.66 O HETATM 2087 O2 SO4 I 992 -15.185 -96.735 -19.558 1.00 67.05 O HETATM 2088 O3 SO4 I 992 -14.655 -96.224 -21.907 1.00 68.54 O HETATM 2089 O4 SO4 I 992 -14.738 -94.363 -20.291 1.00 68.36 O HETATM 2090 O HOH E 501 -11.672 -87.132 -4.737 1.00 5.79 O HETATM 2091 O HOH E 502 -12.647 -85.893 -7.058 1.00 7.16 O HETATM 2092 O HOH E 503 -5.892 -80.721 -8.877 1.00 7.19 O HETATM 2093 O HOH E 504 -9.968 -79.839 -15.150 1.00 7.93 O HETATM 2094 O HOH E 507 -4.994 -96.201 6.795 1.00 8.66 O HETATM 2095 O HOH E 509 -24.779 -93.973 1.663 1.00 10.18 O HETATM 2096 O HOH E 510 -21.384 -90.814 6.238 1.00 10.54 O HETATM 2097 O HOH E 512 -8.204 -84.286 1.776 1.00 10.82 O HETATM 2098 O HOH E 513 -10.693 -82.638 -14.816 1.00 11.25 O HETATM 2099 O HOH E 514 -9.536 -58.017 -0.087 1.00 11.54 O HETATM 2100 O HOH E 515 -6.904 -77.487 -3.168 1.00 11.60 O HETATM 2101 O HOH E 516 -8.965 -73.942 4.915 1.00 11.75 O HETATM 2102 O HOH E 517 -17.859 -90.602 4.037 1.00 11.85 O HETATM 2103 O HOH E 518 -14.204 -98.640 9.870 1.00 12.26 O HETATM 2104 O HOH E 519 -5.828 -90.848 -2.968 1.00 13.40 O HETATM 2105 O HOH E 520 -16.731 -79.393 8.971 1.00 13.49 O HETATM 2106 O HOH E 522 -11.991-100.811 -0.755 1.00 13.65 O HETATM 2107 O HOH E 523 -23.563 -91.940 4.716 1.00 13.93 O HETATM 2108 O HOH E 524 -8.971 -76.414 -15.297 1.00 14.14 O HETATM 2109 O HOH E 525 -21.977 -94.966 -3.831 1.00 14.32 O HETATM 2110 O HOH E 526 -12.858 -89.188 -18.979 1.00 15.40 O HETATM 2111 O HOH E 527 -9.936-101.828 -12.862 1.00 15.77 O HETATM 2112 O HOH E 528 2.292-103.105 2.138 1.00 16.01 O HETATM 2113 O HOH E 529 -11.064 -75.253 3.437 1.00 16.65 O HETATM 2114 O HOH E 530 -8.565 -76.136 -4.811 1.00 16.76 O HETATM 2115 O HOH E 531 -3.011 -80.302 -6.918 1.00 16.98 O HETATM 2116 O HOH E 532 -5.859 -78.788 -5.753 1.00 17.24 O HETATM 2117 O HOH E 534 -4.255 -76.654 -5.418 1.00 17.80 O HETATM 2118 O HOH E 535 -15.761 -92.502 15.138 1.00 18.00 O HETATM 2119 O HOH E 536 -10.986 -77.677 4.820 1.00 18.14 O HETATM 2120 O HOH E 537 -19.376 -90.316 13.140 1.00 18.58 O HETATM 2121 O HOH E 539 -17.746 -81.117 7.230 1.00 19.00 O HETATM 2122 O HOH E 541 1.244 -74.999 -10.432 1.00 19.27 O HETATM 2123 O HOH E 542 -24.957-105.913 1.129 1.00 19.57 O HETATM 2124 O HOH E 543 -17.902 -79.911 -7.099 1.00 19.78 O HETATM 2125 O HOH E 544 -14.939 -82.417 -16.519 1.00 20.01 O HETATM 2126 O HOH E 545 -9.063 -52.982 -10.760 1.00 20.28 O HETATM 2127 O HOH E 546 5.247 -80.838 -1.284 1.00 20.33 O HETATM 2128 O HOH E 547 -5.313 -81.748 4.546 1.00 20.52 O HETATM 2129 O HOH E 548 -16.828-105.801 -0.420 1.00 20.65 O HETATM 2130 O HOH E 549 4.419 -88.979 0.351 1.00 20.75 O HETATM 2131 O HOH E 550 -20.463 -81.083 -0.979 1.00 21.62 O HETATM 2132 O HOH E 551 -2.033 -92.177 -20.156 1.00 21.68 O HETATM 2133 O HOH E 552 10.483 -95.815 -2.677 1.00 21.71 O HETATM 2134 O HOH E 553 -10.795 -82.472 9.621 1.00 21.78 O HETATM 2135 O HOH E 555 -21.855 -91.697 13.278 1.00 22.75 O HETATM 2136 O HOH E 556 -10.013 -51.581 -12.878 1.00 22.76 O HETATM 2137 O HOH E 558 3.099-103.064 -10.300 1.00 23.55 O HETATM 2138 O HOH E 559 -7.006 -84.271 10.498 1.00 24.14 O HETATM 2139 O HOH E 560 -15.823 -84.035 -0.372 1.00 24.16 O HETATM 2140 O HOH E 561 -17.690 -91.145 15.304 1.00 24.16 O HETATM 2141 O HOH E 562 2.515 -84.884 -20.171 1.00 24.25 O HETATM 2142 O HOH E 563 -25.344 -92.948 -5.800 1.00 25.05 O HETATM 2143 O HOH E 564 0.739 -78.099 -17.693 1.00 25.41 O HETATM 2144 O HOH E 565 -5.738 -73.354 -10.712 1.00 25.57 O HETATM 2145 O HOH E 566 0.274-105.107 -0.387 1.00 25.58 O HETATM 2146 O HOH E 567 -11.574-100.182 5.471 1.00 25.70 O HETATM 2147 O HOH E 568 -9.434 -98.242 -20.310 1.00 25.85 O HETATM 2148 O HOH E 569 5.150 -77.950 -2.154 1.00 25.86 O HETATM 2149 O HOH E 570 10.137 -94.060 -9.304 1.00 26.09 O HETATM 2150 O HOH E 571 -6.463-109.460 -9.382 1.00 26.12 O HETATM 2151 O HOH E 572 -11.080 -69.719 -1.463 1.00 26.31 O HETATM 2152 O HOH E 573 -8.075 -84.775 -20.904 1.00 26.49 O HETATM 2153 O HOH E 575 1.273 -84.372 4.412 1.00 26.96 O HETATM 2154 O HOH E 576 -9.540 -84.027 -23.600 1.00 27.16 O HETATM 2155 O HOH E 580 4.111 -79.603 -14.868 1.00 28.36 O HETATM 2156 O HOH E 581 -20.038 -80.288 5.970 1.00 28.46 O HETATM 2157 O HOH E 582 -19.917 -73.816 0.573 1.00 28.74 O HETATM 2158 O HOH E 583 1.322 -98.732 8.288 1.00 28.86 O HETATM 2159 O HOH E 584 -18.938 -82.485 9.267 1.00 29.22 O HETATM 2160 O HOH E 585 -11.244 -98.806 -18.292 1.00 29.86 O HETATM 2161 O HOH E 586 -24.762-107.183 3.486 1.00 30.14 O HETATM 2162 O HOH E 588 -10.628 -78.950 8.391 1.00 30.50 O HETATM 2163 O HOH E 589 -13.236 -80.605 -16.872 1.00 30.55 O HETATM 2164 O HOH E 590 5.505 -90.422 3.307 1.00 30.74 O HETATM 2165 O HOH E 591 -15.098 -93.784 17.744 1.00 30.81 O HETATM 2166 O HOH E 592 -8.549 -97.429 11.376 1.00 30.99 O HETATM 2167 O HOH E 593 -20.884 -76.600 -1.506 1.00 31.14 O HETATM 2168 O HOH E 594 -4.177 -82.842 8.507 1.00 31.61 O HETATM 2169 O HOH E 596 -12.715 -96.480 -14.925 1.00 32.93 O HETATM 2170 O HOH E 597 -9.922 -91.571 -23.395 1.00 32.95 O HETATM 2171 O HOH E 599 -17.184 -92.204 -21.384 1.00 33.44 O HETATM 2172 O HOH E 600 -10.118 -51.092 6.168 1.00 33.46 O HETATM 2173 O HOH E 601 -6.518 -96.396 9.386 1.00 33.48 O HETATM 2174 O HOH E 602 -5.083 -89.840 15.892 1.00 34.45 O HETATM 2175 O HOH E 603 9.716-100.162 1.864 1.00 34.54 O HETATM 2176 O HOH E 605 -27.026-102.841 8.772 1.00 34.93 O HETATM 2177 O HOH E 607 -17.917 -85.150 -9.826 1.00 35.29 O HETATM 2178 O HOH E 608 5.253-104.031 -6.914 1.00 35.33 O HETATM 2179 O HOH E 609 -11.557-100.121 -14.821 1.00 35.60 O HETATM 2180 O HOH E 610 -23.842 -99.748 11.894 1.00 35.81 O HETATM 2181 O HOH E 612 -14.085 -70.962 -4.395 1.00 36.62 O HETATM 2182 O HOH E 613 -12.229 -81.709 -19.503 1.00 36.72 O HETATM 2183 O HOH E 615 -17.223 -83.384 11.708 1.00 36.83 O HETATM 2184 O HOH E 617 1.553 -91.429 -22.137 1.00 37.07 O HETATM 2185 O HOH E 618 -21.557-105.181 -1.894 1.00 37.20 O HETATM 2186 O HOH E 619 -27.923 -92.292 -2.401 1.00 37.21 O HETATM 2187 O HOH E 620 -4.526-103.672 9.549 1.00 37.28 O HETATM 2188 O HOH E 621 -5.102 -71.404 0.294 1.00 37.55 O HETATM 2189 O HOH E 624 -13.927 -90.305 -21.854 1.00 37.71 O HETATM 2190 O HOH E 625 -20.489-105.647 14.293 1.00 37.78 O HETATM 2191 O HOH E 626 -25.465-105.814 10.728 1.00 37.92 O HETATM 2192 O HOH E 627 4.766 -84.989 1.866 1.00 38.11 O HETATM 2193 O HOH E 628 -14.821-111.974 -6.065 1.00 38.27 O HETATM 2194 O HOH E 629 -4.822 -98.631 14.908 1.00 38.34 O HETATM 2195 O HOH E 630 -2.483-102.054 -13.827 1.00 38.58 O HETATM 2196 O HOH E 631 -2.419 -81.881 5.309 1.00 38.69 O HETATM 2197 O HOH E 632 2.965-105.088 -7.582 1.00 38.70 O HETATM 2198 O HOH E 634 -0.489 -82.150 4.255 1.00 39.40 O HETATM 2199 O HOH E 635 0.282 -98.529 -18.467 1.00 39.49 O HETATM 2200 O HOH E 637 9.741 -81.513 -9.149 1.00 39.79 O HETATM 2201 O HOH E 639 -0.307-105.125 -11.582 1.00 39.87 O HETATM 2202 O HOH E 640 -24.611 -85.625 9.435 1.00 40.05 O HETATM 2203 O HOH E 642 -11.887-109.987 -1.901 1.00 40.12 O HETATM 2204 O HOH E 644 -28.250-105.385 11.940 1.00 40.73 O HETATM 2205 O HOH E 645 -8.757 -77.486 3.085 1.00 41.08 O HETATM 2206 O HOH E 646 -3.217-104.336 -1.515 1.00 41.13 O HETATM 2207 O HOH E 649 -16.641-100.644 18.370 1.00 42.25 O HETATM 2208 O HOH E 651 -10.860 -97.547 12.113 1.00 42.27 O HETATM 2209 O HOH E 652 4.336 -89.698 7.763 1.00 42.34 O HETATM 2210 O HOH E 653 -18.560 -74.193 -13.487 1.00 42.37 O HETATM 2211 O HOH E 654 -19.499-107.989 8.772 1.00 42.42 O HETATM 2212 O HOH E 655 -4.571-102.515 1.504 1.00 42.75 O HETATM 2213 O HOH E 656 -18.762-111.064 8.848 1.00 42.81 O HETATM 2214 O HOH E 657 -3.886 -67.601 -10.861 1.00 42.86 O HETATM 2215 O HOH E 658 -17.945 -84.970 13.832 1.00 42.88 O HETATM 2216 O HOH E 660 4.871-105.287 4.859 1.00 43.10 O HETATM 2217 O HOH E 662 8.182 -75.101 -8.710 1.00 43.33 O HETATM 2218 O HOH E 664 -8.185-109.456 2.708 1.00 43.56 O HETATM 2219 O HOH E 666 -15.877 -50.744 3.034 1.00 44.08 O HETATM 2220 O HOH E 667 -17.209 -81.289 -14.753 1.00 44.26 O HETATM 2221 O HOH E 668 -13.244 -87.094 15.931 1.00 44.51 O HETATM 2222 O HOH E 669 -0.314-102.358 8.778 1.00 44.69 O HETATM 2223 O HOH E 670 -20.072 -80.792 -8.256 1.00 44.76 O HETATM 2224 O HOH E 671 4.296 -70.969 -4.125 1.00 45.03 O HETATM 2225 O HOH E 672 -2.001-100.342 -17.555 1.00 45.06 O HETATM 2226 O HOH E 674 9.682 -78.504 -7.744 1.00 45.26 O HETATM 2227 O HOH E 675 10.894 -77.165 -9.714 1.00 45.83 O HETATM 2228 O HOH E 676 3.859-107.595 -3.314 1.00 46.06 O HETATM 2229 O HOH E 677 10.243 -82.067 -15.180 1.00 46.12 O HETATM 2230 O HOH E 678 -18.454 -99.329 18.534 1.00 46.18 O HETATM 2231 O HOH E 679 5.891 -81.628 -15.573 1.00 46.46 O HETATM 2232 O HOH E 680 -6.167 -72.091 -8.428 1.00 46.56 O HETATM 2233 O HOH E 682 9.012 -85.491 -4.139 1.00 46.93 O HETATM 2234 O HOH E 683 -19.338 -72.167 -3.356 1.00 46.98 O HETATM 2235 O HOH E 684 -3.424 -89.947 13.755 1.00 47.90 O HETATM 2236 O HOH E 687 -10.005-100.356 10.745 1.00 48.88 O HETATM 2237 O HOH E 688 -9.987 -53.478 9.459 1.00 48.92 O HETATM 2238 O HOH E 690 1.492 -98.070 -17.177 1.00 49.14 O HETATM 2239 O HOH E 691 -9.307 -98.375 16.322 1.00 49.85 O HETATM 2240 O HOH E 692 3.927-107.108 -5.957 1.00 49.95 O HETATM 2241 O HOH E 693 1.728 -86.133 10.985 1.00 50.23 O HETATM 2242 O HOH E 694 -3.317-107.155 0.464 1.00 50.63 O HETATM 2243 O HOH E 695 10.717 -87.928 -16.839 1.00 50.66 O HETATM 2244 O HOH E 696 -20.423 -72.976 -14.985 1.00 50.99 O HETATM 2245 O HOH E 697 -4.769-106.311 8.168 1.00 51.10 O HETATM 2246 O HOH E 699 1.243-109.851 -3.641 1.00 51.83 O HETATM 2247 O HOH E 701 -6.154-107.665 -5.311 1.00 52.56 O HETATM 2248 O HOH E 702 6.640 -91.981 8.559 1.00 52.64 O HETATM 2249 O HOH E 704 7.683 -91.744 -16.700 1.00 53.04 O HETATM 2250 O HOH E 705 -11.608 -70.317 -9.068 1.00 53.16 O HETATM 2251 O HOH E 706 11.798 -93.691 -4.281 1.00 53.54 O HETATM 2252 O HOH E 707 7.098 -90.670 -1.736 1.00 53.72 O HETATM 2253 O HOH E 708 -2.892 -91.353 16.749 1.00 53.82 O HETATM 2254 O HOH E 709 0.511-104.591 5.546 1.00 54.00 O HETATM 2255 O HOH E 710 -25.796 -86.656 -3.887 1.00 55.26 O HETATM 2256 O HOH E 711 -1.217 -83.850 -21.287 1.00 55.41 O HETATM 2257 O HOH E 712 -14.322 -48.399 2.669 1.00 56.00 O HETATM 2258 O HOH E 713 1.643 -75.971 -16.708 1.00 56.06 O HETATM 2259 O HOH E 714 -8.340-101.948 17.163 1.00 56.31 O HETATM 2260 O HOH E 715 -0.965 -94.980 -20.648 1.00 57.64 O HETATM 2261 O HOH E 716 -5.350 -68.067 -8.448 1.00 57.72 O HETATM 2262 O HOH I 505 -20.364 -98.712 -9.224 1.00 8.03 O HETATM 2263 O HOH I 506 -16.452 -93.946 0.018 1.00 8.27 O HETATM 2264 O HOH I 508 -24.705-100.615 -14.586 1.00 9.25 O HETATM 2265 O HOH I 511 -21.496 -94.101 0.596 1.00 10.67 O HETATM 2266 O HOH I 521 -27.323-100.164 -15.645 1.00 13.58 O HETATM 2267 O HOH I 533 -29.591-101.807 -15.257 1.00 17.33 O HETATM 2268 O HOH I 538 -29.935-103.944 -16.631 1.00 18.97 O HETATM 2269 O HOH I 540 -17.030-104.659 -11.216 1.00 19.05 O HETATM 2270 O HOH I 554 -40.312-103.421 -24.835 1.00 22.40 O HETATM 2271 O HOH I 557 -40.864 -93.727 -16.369 1.00 22.82 O HETATM 2272 O HOH I 574 -24.519-105.600 -10.311 1.00 26.89 O HETATM 2273 O HOH I 577 -26.847 -97.937 -7.402 1.00 27.35 O HETATM 2274 O HOH I 578 -28.831 -96.585 -9.515 1.00 27.42 O HETATM 2275 O HOH I 579 -53.718 -86.209 -12.161 1.00 27.74 O HETATM 2276 O HOH I 587 -24.603 -95.941 -5.519 1.00 30.49 O HETATM 2277 O HOH I 595 -24.250-110.026 -3.680 1.00 32.81 O HETATM 2278 O HOH I 598 -34.206 -98.028 -18.946 1.00 33.25 O HETATM 2279 O HOH I 604 -37.421-111.225 -16.308 1.00 34.56 O HETATM 2280 O HOH I 606 -18.500-105.049 -13.725 1.00 35.19 O HETATM 2281 O HOH I 611 -20.889-101.596 -16.684 1.00 36.61 O HETATM 2282 O HOH I 614 -24.261-104.925 -6.874 1.00 36.82 O HETATM 2283 O HOH I 616 -32.432-111.712 -19.875 1.00 37.00 O HETATM 2284 O HOH I 622 -30.851-101.336 -29.495 1.00 37.65 O HETATM 2285 O HOH I 623 -61.295 -83.608 -13.483 1.00 37.65 O HETATM 2286 O HOH I 633 -30.418-104.256 -8.189 1.00 38.88 O HETATM 2287 O HOH I 636 -29.977-108.185 -28.245 1.00 39.76 O HETATM 2288 O HOH I 638 -25.459 -99.189 -4.478 1.00 39.87 O HETATM 2289 O HOH I 641 -35.478-108.094 -15.222 1.00 40.11 O HETATM 2290 O HOH I 643 -22.797-104.036 -18.704 1.00 40.64 O HETATM 2291 O HOH I 647 -37.011-106.644 -17.106 1.00 41.51 O HETATM 2292 O HOH I 648 -14.365 -99.479 -13.828 1.00 42.17 O HETATM 2293 O HOH I 650 -25.573-107.211 -5.113 1.00 42.25 O HETATM 2294 O HOH I 659 -28.642-105.382 -7.333 1.00 42.98 O HETATM 2295 O HOH I 661 -28.725-105.661 -4.352 1.00 43.23 O HETATM 2296 O HOH I 663 -22.173-103.547 -22.399 1.00 43.34 O HETATM 2297 O HOH I 665 -19.259-104.822 -4.140 1.00 43.62 O HETATM 2298 O HOH I 673 -13.883-101.528 -19.225 1.00 45.25 O HETATM 2299 O HOH I 681 -19.076-104.239 -1.597 1.00 46.70 O HETATM 2300 O HOH I 685 -20.024-108.008 -10.420 1.00 48.51 O HETATM 2301 O HOH I 686 -28.209 -94.037 -12.078 1.00 48.63 O HETATM 2302 O HOH I 689 -59.602 -90.220 5.583 1.00 49.11 O HETATM 2303 O HOH I 698 -25.502-108.355 -14.715 1.00 51.81 O HETATM 2304 O HOH I 700 -42.451 -88.458 -7.770 1.00 52.00 O HETATM 2305 O HOH I 703 -24.249-107.661 -12.366 1.00 52.70 O HETATM 2306 O HOH I 717 -19.870-103.752 -18.619 1.00 58.13 O HETATM 2307 O HOH I 718 -18.517 -94.798 -27.492 1.00 59.06 O CONECT 50 1000 CONECT 195 310 CONECT 310 195 CONECT 403 2074 CONECT 418 2074 CONECT 442 2074 CONECT 461 2074 CONECT 483 2074 CONECT 859 1519 CONECT 902 1321 CONECT 1000 50 CONECT 1079 1183 CONECT 1183 1079 CONECT 1259 1424 CONECT 1321 902 CONECT 1424 1259 CONECT 1519 859 CONECT 1671 2068 CONECT 1738 1930 CONECT 1870 2036 CONECT 1930 1738 CONECT 2036 1870 CONECT 2068 1671 CONECT 2074 403 418 442 461 CONECT 2074 483 2108 CONECT 2075 2076 2077 2078 2079 CONECT 2076 2075 CONECT 2077 2075 CONECT 2078 2075 CONECT 2079 2075 CONECT 2080 2081 2082 2083 2084 CONECT 2081 2080 CONECT 2082 2080 CONECT 2083 2080 CONECT 2084 2080 CONECT 2085 2086 2087 2088 2089 CONECT 2086 2085 CONECT 2087 2085 CONECT 2088 2085 CONECT 2089 2085 CONECT 2108 2074 MASTER 371 0 4 5 16 0 6 6 2291 2 41 23 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1f5r
RCSB PDB
PDBbind
BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
1f7z
RCSB PDB
PDBbind
BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
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RCSB PDB
PDBbind
bovine pancreatic trypsin inhibitor (BPTI)
Entry Information
PDB ID
1fy8
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
rat Delta I16V17 trypsinogen
Ligand Name
BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)
EC.Number
E.C.3.4.21.4
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=9uM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
Protein science. (2001) 10, pp. 1331-42
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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