Browse entries in the PDBbind-CN Database
HEADER COMPLEX (PROTEINASE/INHIBITOR) 27-SEP-82 2PTC TITLE THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS TITLE 2 IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-TRYPSIN; COMPND 3 CHAIN: E; COMPND 4 EC: 3.4.21.4; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: TRYPSIN INHIBITOR; COMPND 8 CHAIN: I; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS; SOURCE 6 MOL_ID: 2 KEYWDS COMPLEX (PROTEINASE/INHIBITOR) EXPDTA X-RAY DIFFRACTION AUTHOR R.HUBER,J.DEISENHOFER REVDAT 6 24-FEB-09 2PTC 1 VERSN REVDAT 5 14-MAR-85 2PTC 3 SEQRES ATOM REVDAT 4 23-FEB-84 2PTC 1 JRNL REVDAT 3 31-JAN-84 2PTC 1 REMARK REVDAT 2 30-SEP-83 2PTC 1 REVDAT REVDAT 1 18-JAN-83 2PTC 0 SPRSDE 18-JAN-83 2PTC 1PTC JRNL AUTH M.MARQUART,J.WALTER,J.DEISENHOFER,W.BODE,R.HUBER JRNL TITL THE GEOMETRY OF THE REACTIVE SITE AND OF THE JRNL TITL 2 PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS JRNL TITL 3 COMPLEXES WITH INHIBITORS JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 39 480 1983 JRNL REFN ISSN 0108-7681 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH W.BODE,P.SCHWAGER,R.HUBER REMARK 1 TITL STRUCTURAL STUDIES ON THE PANCREATIC TRYPSIN REMARK 1 TITL 2 INHIBITOR-TRYPSIN COMPLEX AND ITS FREE COMPONENTS. REMARK 1 TITL 3 STRUCTURE AND FUNCTION RELATIONSHIPS IN SERINE REMARK 1 TITL 4 PROTEASE INHIBITION AND CATALYSIS REMARK 1 REF MIAMI WINTER SYMP. V. 11 43 1976 REMARK 1 REFN ISSN 0097-0808 REMARK 1 REFERENCE 2 REMARK 1 AUTH R.HUBER,W.BODE,D.KUKLA,U.KOHL,C.A.RYAN REMARK 1 TITL THE STRUCTURE OF THE COMPLEX FORMED BY BOVINE REMARK 1 TITL 2 TRYPSIN AND BOVINE PANCREATIC TRYPSIN INHIBITOR. REMARK 1 TITL 3 III. STRUCTURE OF THE ANHYDRO-TRYPSIN-INHIBITOR REMARK 1 TITL 4 COMPLEX REMARK 1 REF BIOPHYS.STRUCT.MECH. V. 1 189 1975 REMARK 1 REFN ISSN 0340-1057 REMARK 1 REFERENCE 3 REMARK 1 AUTH W.BODE,P.SCHWAGER REMARK 1 TITL THE SINGLE CALCIUM-BINDING SITE OF CRYSTALLINE REMARK 1 TITL 2 BOVINE BETA-TRYPSIN REMARK 1 REF FEBS LETT. V. 56 139 1975 REMARK 1 REFN ISSN 0014-5793 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.HUBER,D.KUKLA,W.STEIGEMANN,J.DEISENHOFER,A.JONES REMARK 1 TITL STRUCTURE OF THE COMPLEX FORMED BY BOVINE TRYPSIN REMARK 1 TITL 2 AND BOVINE PANCREATIC TRYPSIN INHIBITOR. REMARK 1 TITL 3 REFINEMENT OF THE CRYSTAL STRUCTURE ANALYSIS REMARK 1 REF BAYER SYMP. V. 5 497 1974 REMARK 1 REFN ISSN 0067-4672 REMARK 1 REFERENCE 5 REMARK 1 AUTH R.HUBER,D.KUKLA,W.BODE,P.SCHWAGER,K.BARTELS, REMARK 1 AUTH 2 J.DEISENHOFER,W.STEIGEMANN REMARK 1 TITL STRUCTURE OF THE COMPLEX FORMED BY BOVINE TRYPSIN REMARK 1 TITL 2 AND BOVINE PANCREATIC TRYPSIN INHIBITOR. II. REMARK 1 TITL 3 CRYSTALLOGRAPHIC REFINEMENT AT 1.9 ANGSTROMS REMARK 1 TITL 4 RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 89 73 1974 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 6 REMARK 1 AUTH A.RUEHLMANN,D.KUKLA,P.SCHWAGER,K.BARTELS,R.HUBER REMARK 1 TITL STRUCTURE OF THE COMPLEX FORMED BY BOVINE TRYPSIN REMARK 1 TITL 2 AND BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTAL REMARK 1 TITL 3 STRUCTURE DETERMINATION AND STEREOCHEMISTRY OF THE REMARK 1 TITL 4 CONTACT REGION REMARK 1 REF J.MOL.BIOL. V. 77 417 1973 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 7 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 105 1972 REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN REMARK 1 REFERENCE 8 REMARK 1 EDIT M.O.DAYHOFF REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 88 1973 REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 1 REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER REMARK 1 PUBL 2 SPRING,MD. REMARK 1 REFN ISSN 0-912466-04-9 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2083 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 157 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL 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 2PTC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.48 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.28 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 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 37.75000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 42.20000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 61.45000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 42.20000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 61.45000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 42.20000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 61.45000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 37.75000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 42.20000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 61.45000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: 1520 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11660 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: OCTAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 12850 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 39860 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -100.0 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 168.80000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 350 BIOMT1 4 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 4 0.000000 -1.000000 0.000000 168.80000 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 ARG I 1 REMARK 475 PRO I 2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 LYS E 87 CE NZ REMARK 480 LYS E 109 CD CE NZ REMARK 480 ARG E 117 CZ NH1 NH2 REMARK 480 GLN E 135 OE1 NE2 REMARK 480 LYS E 145 CE NZ REMARK 480 SER E 146 OG REMARK 480 SER E 147 OG REMARK 480 LYS E 159 NZ REMARK 480 ASP E 165 OD1 OD2 REMARK 480 LYS E 169 NZ REMARK 480 GLU E 186 OE1 OE2 REMARK 480 LYS E 188 NZ REMARK 480 SER E 202 OG REMARK 480 LYS E 204 CE NZ REMARK 480 SER E 217 OG REMARK 480 GLN E 221 OE1 NE2 REMARK 480 LYS E 222 CG CD CE NZ REMARK 480 LYS E 224 CE NZ REMARK 480 LYS E 230 NZ REMARK 480 SER E 236 OG REMARK 480 ASP I 3 CB CG OD1 OD2 REMARK 480 GLU I 7 CG CD OE1 OE2 REMARK 480 LYS I 26 CG CD CE NZ REMARK 480 LYS I 41 NZ REMARK 480 GLY I 57 O 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 NZ LYS E 109 O THR I 54 2575 1.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 TRP E 51 NE1 TRP E 51 CE2 -0.098 REMARK 500 TRP E 141 NE1 TRP E 141 CE2 -0.084 REMARK 500 GLU E 186 CD GLU E 186 OE2 0.066 REMARK 500 TRP E 215 NE1 TRP E 215 CE2 -0.092 REMARK 500 TRP E 237 NE1 TRP E 237 CE2 -0.102 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 GLU E 77 OE1 - CD - OE2 ANGL. DEV. = -7.3 DEGREES REMARK 500 ASP E 165 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG I 39 NE - CZ - NH1 ANGL. DEV. = 4.3 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 ASN E 25 19.16 56.31 REMARK 500 VAL E 27 72.52 -116.57 REMARK 500 ASP E 71 -77.59 -123.64 REMARK 500 ASN E 115 -144.66 -129.72 REMARK 500 PRO I 2 -178.25 -62.89 REMARK 500 ARG I 17 79.34 -112.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ASN E 25 0.07 SIDE_CHAIN REMARK 500 GLN E 30 0.08 SIDE_CHAIN REMARK 500 TYR E 59 0.06 SIDE_CHAIN REMARK 500 GLN E 64 0.08 SIDE_CHAIN REMARK 500 ASN E 72 0.08 SIDE_CHAIN REMARK 500 GLU E 77 0.08 SIDE_CHAIN REMARK 500 ASN E 97 0.09 SIDE_CHAIN REMARK 500 ASP E 165 0.11 SIDE_CHAIN REMARK 500 ASN E 223 0.08 SIDE_CHAIN REMARK 500 GLN E 240 0.07 SIDE_CHAIN REMARK 500 GLU I 7 0.07 SIDE_CHAIN REMARK 500 ASN I 24 0.08 SIDE_CHAIN REMARK 500 ASN I 44 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLY E 23 10.11 REMARK 500 HIS E 40 11.43 REMARK 500 ILE E 47 -10.15 REMARK 500 LYS E 60 -10.03 REMARK 500 GLU E 70 -10.10 REMARK 500 VAL E 90 13.52 REMARK 500 HIS E 91 12.67 REMARK 500 LYS E 107 11.07 REMARK 500 SER E 147 12.76 REMARK 500 TYR E 151 11.02 REMARK 500 LYS E 159 12.33 REMARK 500 ALA E 160 12.02 REMARK 500 ASN E 233 13.53 REMARK 500 ASP I 3 -12.03 REMARK 500 TYR I 35 12.14 REMARK 500 GLY I 56 11.15 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 462 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 80 OE2 REMARK 620 2 HOH E 481 O 87.0 REMARK 620 3 GLU E 70 OE2 103.3 99.2 REMARK 620 4 VAL E 75 O 89.8 113.6 145.3 REMARK 620 5 HOH E 559 O 87.1 170.0 74.4 74.4 REMARK 620 6 ASN E 72 O 163.5 88.2 93.0 77.7 99.6 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 462 REMARK 999 REMARK 999 SEQUENCE REMARK 999 REMARK 999 THE 229 AMINO ACIDS OF TRYPSINOGEN ARE IDENTIFIED BY THE REMARK 999 RESIDUE NUMBERS OF THE HOMOLOGOUS CHYMOTRYPSINOGEN. REMARK 999 IN THIS COMPLEX THE ENZYME IS GIVEN THE CHAIN INDICATOR E REMARK 999 AND THE INHIBITOR IS GIVEN THE CHAIN INDICATOR I. A NULL REMARK 999 (BLANK) CHAIN INDICATOR IS ASSIGNED TO THE CALCIUM AND TO REMARK 999 THE WATER MOLECULES. THE NOMENCLATURE OF THE WATER REMARK 999 MOLECULES IS THAT OF THE DEPOSITORS. DBREF 2PTC E 16 245 UNP P00760 TRY1_BOVIN 21 243 DBREF 2PTC I 1 58 UNP P00974 BPT1_BOVIN 36 93 SEQRES 1 E 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 E 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 E 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 E 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 E 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 E 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 E 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 E 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 E 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 E 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 E 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 E 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 E 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 E 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 E 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 E 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 E 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 E 223 SER 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 462 1 HETNAM CA CALCIUM ION FORMUL 3 CA CA 2+ FORMUL 4 HOH *157(H2 O) HELIX 1 H1 SER E 164 ILE E 176 1SNGL ALPHA TURN,REST IRREG. 13 HELIX 2 H2 LYS E 230 VAL E 235 5CONTIGUOUS WITH H3 6 HELIX 3 H3 SER E 236 ASN E 245 1CONTIGUOUS WITH H2 10 HELIX 4 H4 SER I 47 GLY I 56 1 10 SHEET 1 S1 2 ALA I 16 ALA I 25 0 SHEET 2 S1 2 GLY I 28 GLY I 36 -1 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 2.08 SSBOND 5 CYS E 168 CYS E 182 1555 1555 2.05 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.05 SSBOND 7 CYS I 5 CYS I 55 1555 1555 1.97 SSBOND 8 CYS I 14 CYS I 38 1555 1555 2.03 SSBOND 9 CYS I 30 CYS I 51 1555 1555 2.07 LINK CA CA E 462 OE2 GLU E 80 1555 1555 2.44 LINK CA CA E 462 O HOH E 481 1555 1555 2.42 LINK CA CA E 462 OE2 GLU E 70 1555 1555 2.34 LINK CA CA E 462 O VAL E 75 1555 1555 2.39 LINK CA CA E 462 O HOH E 559 1555 1555 2.51 LINK CA CA E 462 O ASN E 72 1555 1555 2.24 SITE 1 AC1 6 GLU E 70 ASN E 72 VAL E 75 GLU E 80 SITE 2 AC1 6 HOH E 481 HOH E 559 CRYST1 75.500 84.400 122.900 90.00 90.00 90.00 I 2 2 2 8 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 0.013245 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011848 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008137 0.00000 ATOM 1 N ILE E 16 18.871 65.715 12.731 1.00 21.86 N ATOM 2 CA ILE E 16 19.782 64.969 13.587 1.00 21.86 C ATOM 3 C ILE E 16 21.173 64.987 12.945 1.00 21.86 C ATOM 4 O ILE E 16 21.316 64.450 11.815 1.00 21.86 O ATOM 5 CB ILE E 16 19.336 63.476 13.649 1.00 21.86 C ATOM 6 CG1 ILE E 16 17.903 63.230 14.154 1.00 18.04 C ATOM 7 CG2 ILE E 16 20.336 62.527 14.373 1.00 18.04 C ATOM 8 CD1 ILE E 16 17.785 63.415 15.666 1.00 18.04 C ATOM 9 N VAL E 17 22.160 65.538 13.640 1.00 21.82 N ATOM 10 CA VAL E 17 23.595 65.525 13.234 1.00 21.82 C ATOM 11 C VAL E 17 24.317 64.322 13.799 1.00 21.82 C ATOM 12 O VAL E 17 24.087 63.910 14.971 1.00 21.82 O ATOM 13 CB VAL E 17 24.328 66.745 13.770 1.00 21.82 C ATOM 14 CG1 VAL E 17 25.764 66.765 13.241 1.00 9.61 C ATOM 15 CG2 VAL E 17 23.598 68.073 13.459 1.00 9.61 C ATOM 16 N GLY E 18 24.967 63.607 12.952 1.00 20.38 N ATOM 17 CA GLY E 18 25.730 62.514 13.495 1.00 20.38 C ATOM 18 C GLY E 18 24.949 61.242 13.653 1.00 20.38 C ATOM 19 O GLY E 18 25.511 60.285 14.234 1.00 20.38 O ATOM 20 N GLY E 19 23.764 61.201 13.121 1.00 18.69 N ATOM 21 CA GLY E 19 22.953 59.979 13.312 1.00 18.69 C ATOM 22 C GLY E 19 23.131 58.935 12.221 1.00 18.69 C ATOM 23 O GLY E 19 24.130 58.975 11.483 1.00 18.69 O ATOM 24 N TYR E 20 22.165 58.080 12.065 1.00 28.50 N ATOM 25 CA TYR E 20 22.066 57.088 10.990 1.00 28.50 C ATOM 26 C TYR E 20 20.633 56.984 10.439 1.00 28.50 C ATOM 27 O TYR E 20 19.657 57.514 11.021 1.00 28.50 O ATOM 28 CB TYR E 20 22.625 55.702 11.454 1.00 28.50 C ATOM 29 CG TYR E 20 21.899 55.137 12.701 1.00 28.18 C ATOM 30 CD1 TYR E 20 20.925 54.166 12.561 1.00 28.18 C ATOM 31 CD2 TYR E 20 22.155 55.672 13.946 1.00 28.18 C ATOM 32 CE1 TYR E 20 20.179 53.737 13.661 1.00 28.18 C ATOM 33 CE2 TYR E 20 21.412 55.267 15.043 1.00 28.18 C ATOM 34 CZ TYR E 20 20.426 54.303 14.888 1.00 28.18 C ATOM 35 OH TYR E 20 19.638 53.948 15.998 1.00 28.18 O ATOM 36 N THR E 21 20.455 56.348 9.330 1.00 28.21 N ATOM 37 CA THR E 21 19.105 56.192 8.767 1.00 28.21 C ATOM 38 C THR E 21 18.398 55.078 9.521 1.00 28.21 C ATOM 39 O THR E 21 19.007 53.994 9.678 1.00 28.21 O ATOM 40 CB THR E 21 19.350 55.725 7.329 1.00 28.21 C ATOM 41 OG1 THR E 21 20.052 56.802 6.725 1.00 25.67 O ATOM 42 CG2 THR E 21 18.095 55.393 6.515 1.00 25.67 C ATOM 43 N CYS E 22 17.306 55.408 10.153 1.00 26.17 N ATOM 44 CA CYS E 22 16.594 54.468 11.020 1.00 26.17 C ATOM 45 C CYS E 22 16.178 53.232 10.248 1.00 26.17 C ATOM 46 O CYS E 22 16.125 52.105 10.787 1.00 26.17 O ATOM 47 CB CYS E 22 15.285 55.111 11.551 1.00 26.17 C ATOM 48 SG CYS E 22 15.527 56.694 12.358 1.00 24.38 S ATOM 49 N GLY E 23 15.780 53.449 9.040 1.00 31.34 N ATOM 50 CA GLY E 23 15.229 52.325 8.278 1.00 31.34 C ATOM 51 C GLY E 23 13.722 52.503 8.298 1.00 31.34 C ATOM 52 O GLY E 23 13.243 53.297 9.148 1.00 31.34 O ATOM 53 N ALA E 24 13.074 52.121 7.226 1.00 37.28 N ATOM 54 CA ALA E 24 11.672 52.534 7.047 1.00 37.28 C ATOM 55 C ALA E 24 10.685 51.975 8.081 1.00 37.28 C ATOM 56 O ALA E 24 10.629 50.740 8.333 1.00 37.28 O ATOM 57 CB ALA E 24 11.200 52.222 5.620 1.00 37.28 C ATOM 58 N ASN E 25 9.839 52.874 8.559 1.00 34.33 N ATOM 59 CA ASN E 25 8.751 52.578 9.507 1.00 34.33 C ATOM 60 C ASN E 25 9.238 51.912 10.792 1.00 34.33 C ATOM 61 O ASN E 25 8.453 51.187 11.464 1.00 34.33 O ATOM 62 CB ASN E 25 7.618 51.727 8.869 1.00 34.33 C ATOM 63 CG ASN E 25 7.026 52.461 7.668 1.00 34.82 C ATOM 64 OD1 ASN E 25 6.885 53.695 7.805 1.00 34.82 O ATOM 65 ND2 ASN E 25 7.155 51.862 6.468 1.00 34.82 N ATOM 66 N THR E 26 10.533 52.038 11.078 1.00 32.71 N ATOM 67 CA THR E 26 11.063 51.406 12.319 1.00 32.71 C ATOM 68 C THR E 26 10.939 52.291 13.567 1.00 32.71 C ATOM 69 O THR E 26 11.003 51.772 14.707 1.00 32.71 O ATOM 70 CB THR E 26 12.517 50.937 12.179 1.00 32.71 C ATOM 71 OG1 THR E 26 13.441 52.054 12.235 1.00 38.06 O ATOM 72 CG2 THR E 26 12.719 50.151 10.871 1.00 38.06 C ATOM 73 N VAL E 27 10.542 53.529 13.389 1.00 26.60 N ATOM 74 CA VAL E 27 10.090 54.384 14.523 1.00 26.60 C ATOM 75 C VAL E 27 8.626 54.786 14.392 1.00 26.60 C ATOM 76 O VAL E 27 8.326 55.833 13.762 1.00 26.60 O ATOM 77 CB VAL E 27 11.023 55.588 14.654 1.00 26.60 C ATOM 78 CG1 VAL E 27 10.637 56.541 15.786 1.00 20.81 C ATOM 79 CG2 VAL E 27 12.428 55.048 14.883 1.00 20.81 C ATOM 80 N PRO E 28 7.779 53.777 14.627 1.00 30.08 N ATOM 81 CA PRO E 28 6.372 53.812 14.237 1.00 30.08 C ATOM 82 C PRO E 28 5.585 54.902 14.947 1.00 30.08 C ATOM 83 O PRO E 28 4.485 55.249 14.466 1.00 30.08 O ATOM 84 CB PRO E 28 5.748 52.470 14.633 1.00 30.08 C ATOM 85 CG PRO E 28 6.824 51.701 15.418 1.00 24.52 C ATOM 86 CD PRO E 28 8.109 52.526 15.336 1.00 24.52 C ATOM 87 N TYR E 29 6.147 55.483 15.988 1.00 18.15 N ATOM 88 CA TYR E 29 5.445 56.515 16.763 1.00 18.15 C ATOM 89 C TYR E 29 5.932 57.925 16.455 1.00 18.15 C ATOM 90 O TYR E 29 5.357 58.900 16.989 1.00 18.15 O ATOM 91 CB TYR E 29 5.539 56.184 18.273 1.00 18.15 C ATOM 92 CG TYR E 29 7.026 55.963 18.625 1.00 26.51 C ATOM 93 CD1 TYR E 29 7.803 57.064 18.898 1.00 26.51 C ATOM 94 CD2 TYR E 29 7.614 54.723 18.544 1.00 26.51 C ATOM 95 CE1 TYR E 29 9.161 56.943 19.133 1.00 26.51 C ATOM 96 CE2 TYR E 29 8.991 54.591 18.797 1.00 26.51 C ATOM 97 CZ TYR E 29 9.759 55.717 19.105 1.00 26.51 C ATOM 98 OH TYR E 29 11.192 55.640 19.392 1.00 26.51 O ATOM 99 N GLN E 30 6.845 58.024 15.489 1.00 16.62 N ATOM 100 CA GLN E 30 7.304 59.335 14.955 1.00 16.62 C ATOM 101 C GLN E 30 6.323 59.948 13.963 1.00 16.62 C ATOM 102 O GLN E 30 5.880 59.287 12.993 1.00 16.62 O ATOM 103 CB GLN E 30 8.654 59.176 14.213 1.00 16.62 C ATOM 104 CG GLN E 30 9.131 60.459 13.507 1.00 25.63 C ATOM 105 CD GLN E 30 9.768 61.411 14.503 1.00 25.63 C ATOM 106 OE1 GLN E 30 9.740 62.654 14.321 1.00 25.63 O ATOM 107 NE2 GLN E 30 10.715 60.831 15.181 1.00 25.63 N ATOM 108 N VAL E 31 5.990 61.184 14.208 1.00 21.48 N ATOM 109 CA VAL E 31 5.136 61.903 13.277 1.00 21.48 C ATOM 110 C VAL E 31 5.812 63.141 12.715 1.00 21.48 C ATOM 111 O VAL E 31 6.705 63.730 13.384 1.00 21.48 O ATOM 112 CB VAL E 31 3.770 62.288 13.898 1.00 21.48 C ATOM 113 CG1 VAL E 31 3.003 61.135 14.569 1.00 21.90 C ATOM 114 CG2 VAL E 31 3.756 63.591 14.684 1.00 21.90 C ATOM 115 N SER E 32 5.368 63.511 11.526 1.00 18.15 N ATOM 116 CA SER E 32 5.765 64.796 10.945 1.00 18.15 C ATOM 117 C SER E 32 4.623 65.787 11.123 1.00 18.15 C ATOM 118 O SER E 32 3.530 65.478 10.600 1.00 18.15 O ATOM 119 CB SER E 32 6.027 64.679 9.427 1.00 18.15 C ATOM 120 OG SER E 32 6.278 66.006 8.889 1.00 17.06 O ATOM 121 N LEU E 33 4.946 66.998 11.519 1.00 14.83 N ATOM 122 CA LEU E 33 4.023 68.124 11.539 1.00 14.83 C ATOM 123 C LEU E 33 4.223 68.991 10.321 1.00 14.83 C ATOM 124 O LEU E 33 5.389 69.328 10.023 1.00 14.83 O ATOM 125 CB LEU E 33 4.146 69.025 12.760 1.00 14.83 C ATOM 126 CG LEU E 33 3.976 68.344 14.125 1.00 6.70 C ATOM 127 CD1 LEU E 33 3.836 69.466 15.189 1.00 6.70 C ATOM 128 CD2 LEU E 33 2.873 67.269 14.163 1.00 6.70 C ATOM 129 N ASN E 34 3.180 69.089 9.532 1.00 14.57 N ATOM 130 CA ASN E 34 3.198 69.717 8.220 1.00 14.57 C ATOM 131 C ASN E 34 2.294 70.939 8.077 1.00 14.57 C ATOM 132 O ASN E 34 1.090 70.961 8.438 1.00 14.57 O ATOM 133 CB ASN E 34 2.930 68.631 7.145 1.00 14.57 C ATOM 134 CG ASN E 34 3.161 69.265 5.783 1.00 25.78 C ATOM 135 OD1 ASN E 34 2.296 70.053 5.301 1.00 25.78 O ATOM 136 ND2 ASN E 34 4.113 68.673 5.077 1.00 25.78 N ATOM 137 N SER E 37 2.833 71.949 7.500 1.00 24.04 N ATOM 138 CA SER E 37 2.111 73.211 7.298 1.00 24.04 C ATOM 139 C SER E 37 2.364 73.729 5.883 1.00 24.04 C ATOM 140 O SER E 37 2.588 74.943 5.655 1.00 24.04 O ATOM 141 CB SER E 37 2.712 74.151 8.364 1.00 24.04 C ATOM 142 OG SER E 37 2.309 75.506 8.218 1.00 35.17 O ATOM 143 N GLY E 38 2.457 72.788 4.976 1.00 26.68 N ATOM 144 CA GLY E 38 2.959 73.039 3.631 1.00 26.68 C ATOM 145 C GLY E 38 4.348 72.420 3.464 1.00 26.68 C ATOM 146 O GLY E 38 4.831 72.137 2.344 1.00 26.68 O ATOM 147 N TYR E 39 4.952 72.151 4.563 1.00 20.96 N ATOM 148 CA TYR E 39 6.282 71.560 4.636 1.00 20.96 C ATOM 149 C TYR E 39 6.468 71.076 6.066 1.00 20.96 C ATOM 150 O TYR E 39 5.695 71.548 6.946 1.00 20.96 O ATOM 151 CB TYR E 39 7.385 72.596 4.258 1.00 20.96 C ATOM 152 CG TYR E 39 7.324 73.850 5.130 1.00 15.62 C ATOM 153 CD1 TYR E 39 6.477 74.883 4.807 1.00 15.62 C ATOM 154 CD2 TYR E 39 8.086 73.919 6.275 1.00 15.62 C ATOM 155 CE1 TYR E 39 6.393 76.004 5.606 1.00 15.62 C ATOM 156 CE2 TYR E 39 8.008 75.035 7.091 1.00 15.62 C ATOM 157 CZ TYR E 39 7.174 76.078 6.755 1.00 15.62 C ATOM 158 OH TYR E 39 7.101 77.231 7.615 1.00 15.62 O ATOM 159 N HIS E 40 7.428 70.205 6.222 1.00 16.33 N ATOM 160 CA HIS E 40 7.839 69.643 7.523 1.00 16.33 C ATOM 161 C HIS E 40 8.488 70.716 8.383 1.00 16.33 C ATOM 162 O HIS E 40 9.347 71.485 7.886 1.00 16.33 O ATOM 163 CB HIS E 40 8.780 68.453 7.296 1.00 16.33 C ATOM 164 CG HIS E 40 9.375 68.019 8.646 1.00 23.31 C ATOM 165 ND1 HIS E 40 8.866 66.924 9.314 1.00 23.31 N ATOM 166 CD2 HIS E 40 10.356 68.557 9.377 1.00 23.31 C ATOM 167 CE1 HIS E 40 9.564 66.784 10.510 1.00 23.31 C ATOM 168 NE2 HIS E 40 10.483 67.814 10.551 1.00 23.31 N ATOM 169 N PHE E 41 7.832 71.068 9.464 1.00 16.07 N ATOM 170 CA PHE E 41 8.365 72.109 10.318 1.00 16.07 C ATOM 171 C PHE E 41 8.777 71.588 11.702 1.00 16.07 C ATOM 172 O PHE E 41 9.542 72.275 12.433 1.00 16.07 O ATOM 173 CB PHE E 41 7.470 73.379 10.359 1.00 16.07 C ATOM 174 CG PHE E 41 6.192 73.181 11.185 1.00 25.99 C ATOM 175 CD1 PHE E 41 6.156 73.528 12.513 1.00 25.99 C ATOM 176 CD2 PHE E 41 5.082 72.634 10.587 1.00 25.99 C ATOM 177 CE1 PHE E 41 5.000 73.322 13.249 1.00 25.99 C ATOM 178 CE2 PHE E 41 3.923 72.453 11.301 1.00 25.99 C ATOM 179 CZ PHE E 41 3.880 72.787 12.635 1.00 25.99 C ATOM 180 N CYS E 42 8.211 70.460 12.080 1.00 13.75 N ATOM 181 CA CYS E 42 8.376 69.841 13.415 1.00 13.75 C ATOM 182 C CYS E 42 8.105 68.351 13.431 1.00 13.75 C ATOM 183 O CYS E 42 7.363 67.827 12.563 1.00 13.75 O ATOM 184 CB CYS E 42 7.478 70.484 14.500 1.00 13.75 C ATOM 185 SG CYS E 42 8.109 71.999 15.243 1.00 20.13 S ATOM 186 N GLY E 43 8.550 67.752 14.506 1.00 15.82 N ATOM 187 CA GLY E 43 8.251 66.357 14.851 1.00 15.82 C ATOM 188 C GLY E 43 7.183 66.269 15.942 1.00 15.82 C ATOM 189 O GLY E 43 6.692 67.321 16.448 1.00 15.82 O ATOM 190 N GLY E 44 6.837 65.037 16.273 1.00 19.54 N ATOM 191 CA GLY E 44 5.882 64.658 17.309 1.00 19.54 C ATOM 192 C GLY E 44 5.877 63.153 17.547 1.00 19.54 C ATOM 193 O GLY E 44 6.495 62.396 16.742 1.00 19.54 O ATOM 194 N SER E 45 5.247 62.766 18.653 1.00 20.22 N ATOM 195 CA SER E 45 5.096 61.357 19.068 1.00 20.22 C ATOM 196 C SER E 45 3.631 60.995 19.230 1.00 20.22 C ATOM 197 O SER E 45 2.882 61.828 19.805 1.00 20.22 O ATOM 198 CB SER E 45 5.864 60.954 20.364 1.00 20.22 C ATOM 199 OG SER E 45 7.227 61.351 20.244 1.00 18.16 O ATOM 200 N LEU E 46 3.279 59.839 18.667 1.00 20.38 N ATOM 201 CA LEU E 46 1.925 59.357 18.713 1.00 20.38 C ATOM 202 C LEU E 46 1.742 58.692 20.070 1.00 20.38 C ATOM 203 O LEU E 46 2.456 57.691 20.314 1.00 20.38 O ATOM 204 CB LEU E 46 1.700 58.317 17.557 1.00 20.38 C ATOM 205 CG LEU E 46 0.217 57.966 17.408 1.00 16.19 C ATOM 206 CD1 LEU E 46 -0.612 59.233 17.035 1.00 16.19 C ATOM 207 CD2 LEU E 46 0.047 56.789 16.418 1.00 16.19 C ATOM 208 N ILE E 47 0.875 59.257 20.918 1.00 31.97 N ATOM 209 CA ILE E 47 0.571 58.707 22.253 1.00 31.97 C ATOM 210 C ILE E 47 -0.668 57.829 22.438 1.00 31.97 C ATOM 211 O ILE E 47 -0.542 56.756 23.076 1.00 31.97 O ATOM 212 CB ILE E 47 0.762 59.679 23.409 1.00 31.97 C ATOM 213 CG1 ILE E 47 -0.338 60.731 23.461 1.00 31.45 C ATOM 214 CG2 ILE E 47 2.187 60.270 23.446 1.00 31.45 C ATOM 215 CD1 ILE E 47 -0.197 61.589 24.722 1.00 31.45 C ATOM 216 N ASN E 48 -1.676 58.062 21.611 1.00 34.78 N ATOM 217 CA ASN E 48 -2.713 57.070 21.275 1.00 34.78 C ATOM 218 C ASN E 48 -3.262 57.395 19.894 1.00 34.78 C ATOM 219 O ASN E 48 -2.611 58.201 19.184 1.00 34.78 O ATOM 220 CB ASN E 48 -3.872 57.018 22.302 1.00 34.78 C ATOM 221 CG ASN E 48 -4.436 58.419 22.539 1.00 42.55 C ATOM 222 OD1 ASN E 48 -4.514 58.845 23.713 1.00 42.55 O ATOM 223 ND2 ASN E 48 -4.898 59.093 21.515 1.00 42.55 N ATOM 224 N SER E 49 -4.373 56.788 19.526 1.00 26.62 N ATOM 225 CA SER E 49 -4.909 56.896 18.153 1.00 26.62 C ATOM 226 C SER E 49 -5.391 58.274 17.711 1.00 26.62 C ATOM 227 O SER E 49 -5.367 58.591 16.501 1.00 26.62 O ATOM 228 CB SER E 49 -5.910 55.784 17.820 1.00 26.62 C ATOM 229 OG SER E 49 -7.137 56.027 18.512 1.00 41.11 O ATOM 230 N GLN E 50 -5.637 59.143 18.640 1.00 22.32 N ATOM 231 CA GLN E 50 -6.007 60.517 18.295 1.00 22.32 C ATOM 232 C GLN E 50 -5.115 61.592 18.855 1.00 22.32 C ATOM 233 O GLN E 50 -5.558 62.765 18.765 1.00 22.32 O ATOM 234 CB GLN E 50 -7.408 60.868 18.809 1.00 22.32 C ATOM 235 CG GLN E 50 -8.460 60.209 17.916 1.00 39.74 C ATOM 236 CD GLN E 50 -9.849 60.627 18.367 1.00 39.74 C ATOM 237 OE1 GLN E 50 -10.432 61.555 17.737 1.00 39.74 O ATOM 238 NE2 GLN E 50 -10.423 59.766 19.184 1.00 39.74 N ATOM 239 N TRP E 51 -4.086 61.199 19.612 1.00 14.51 N ATOM 240 CA TRP E 51 -3.316 62.217 20.340 1.00 14.51 C ATOM 241 C TRP E 51 -1.835 62.152 20.037 1.00 14.51 C ATOM 242 O TRP E 51 -1.255 61.048 19.914 1.00 14.51 O ATOM 243 CB TRP E 51 -3.611 62.266 21.870 1.00 14.51 C ATOM 244 CG TRP E 51 -5.019 62.845 22.143 1.00 21.55 C ATOM 245 CD1 TRP E 51 -6.191 62.187 22.172 1.00 21.55 C ATOM 246 CD2 TRP E 51 -5.337 64.182 22.465 1.00 21.55 C ATOM 247 NE1 TRP E 51 -7.209 63.083 22.572 1.00 21.55 N ATOM 248 CE2 TRP E 51 -6.698 64.231 22.776 1.00 21.55 C ATOM 249 CE3 TRP E 51 -4.552 65.320 22.524 1.00 21.55 C ATOM 250 CZ2 TRP E 51 -7.311 65.388 23.225 1.00 21.55 C ATOM 251 CZ3 TRP E 51 -5.177 66.496 22.888 1.00 21.55 C ATOM 252 CH2 TRP E 51 -6.522 66.528 23.249 1.00 21.55 C ATOM 253 N VAL E 52 -1.317 63.313 19.740 1.00 18.84 N ATOM 254 CA VAL E 52 0.105 63.477 19.448 1.00 18.84 C ATOM 255 C VAL E 52 0.701 64.423 20.480 1.00 18.84 C ATOM 256 O VAL E 52 0.044 65.430 20.807 1.00 18.84 O ATOM 257 CB VAL E 52 0.276 64.056 18.012 1.00 18.84 C ATOM 258 CG1 VAL E 52 1.639 64.733 17.823 1.00 19.29 C ATOM 259 CG2 VAL E 52 0.063 62.942 16.943 1.00 19.29 C ATOM 260 N VAL E 53 1.870 64.143 21.013 1.00 21.68 N ATOM 261 CA VAL E 53 2.545 65.162 21.863 1.00 21.68 C ATOM 262 C VAL E 53 3.750 65.797 21.132 1.00 21.68 C ATOM 263 O VAL E 53 4.377 65.154 20.247 1.00 21.68 O ATOM 264 CB VAL E 53 2.992 64.557 23.214 1.00 21.68 C ATOM 265 CG1 VAL E 53 3.949 63.383 23.012 1.00 23.72 C ATOM 266 CG2 VAL E 53 3.537 65.616 24.201 1.00 23.72 C ATOM 267 N SER E 54 3.968 67.092 21.319 1.00 19.41 N ATOM 268 CA SER E 54 5.044 67.809 20.593 1.00 19.41 C ATOM 269 C SER E 54 5.527 68.942 21.479 1.00 19.41 C ATOM 270 O SER E 54 5.222 68.893 22.706 1.00 19.41 O ATOM 271 CB SER E 54 4.529 68.360 19.240 1.00 19.41 C ATOM 272 OG SER E 54 5.585 68.927 18.429 1.00 11.67 O ATOM 273 N ALA E 55 6.219 69.892 20.874 1.00 10.20 N ATOM 274 CA ALA E 55 6.782 71.047 21.586 1.00 10.20 C ATOM 275 C ALA E 55 5.805 72.179 21.484 1.00 10.20 C ATOM 276 O ALA E 55 5.199 72.323 20.390 1.00 10.20 O ATOM 277 CB ALA E 55 8.126 71.526 20.937 1.00 10.20 C ATOM 278 N ALA E 56 5.762 72.978 22.526 1.00 17.11 N ATOM 279 CA ALA E 56 4.937 74.181 22.518 1.00 17.11 C ATOM 280 C ALA E 56 5.367 75.189 21.454 1.00 17.11 C ATOM 281 O ALA E 56 4.532 75.990 20.945 1.00 17.11 O ATOM 282 CB ALA E 56 4.859 74.859 23.914 1.00 17.11 C ATOM 283 N HIS E 57 6.644 75.220 21.180 1.00 17.50 N ATOM 284 CA HIS E 57 7.150 76.215 20.220 1.00 17.50 C ATOM 285 C HIS E 57 6.885 75.820 18.776 1.00 17.50 C ATOM 286 O HIS E 57 6.934 76.707 17.900 1.00 17.50 O ATOM 287 CB HIS E 57 8.621 76.713 20.439 1.00 17.50 C ATOM 288 CG HIS E 57 9.666 75.626 20.166 1.00 25.18 C ATOM 289 ND1 HIS E 57 10.064 74.734 21.177 1.00 25.18 N ATOM 290 CD2 HIS E 57 10.269 75.276 19.021 1.00 25.18 C ATOM 291 CE1 HIS E 57 10.922 73.781 20.615 1.00 25.18 C ATOM 292 NE2 HIS E 57 11.051 74.132 19.270 1.00 25.18 N ATOM 293 N CYS E 58 6.423 74.604 18.586 1.00 20.75 N ATOM 294 CA CYS E 58 5.914 74.119 17.313 1.00 20.75 C ATOM 295 C CYS E 58 4.442 74.485 17.089 1.00 20.75 C ATOM 296 O CYS E 58 3.815 74.049 16.085 1.00 20.75 O ATOM 297 CB CYS E 58 5.984 72.606 17.347 1.00 20.75 C ATOM 298 SG CYS E 58 7.623 71.950 17.209 1.00 19.11 S ATOM 299 N TYR E 59 3.853 75.197 18.012 1.00 24.26 N ATOM 300 CA TYR E 59 2.441 75.588 17.782 1.00 24.26 C ATOM 301 C TYR E 59 2.225 76.424 16.500 1.00 24.26 C ATOM 302 O TYR E 59 2.784 77.540 16.324 1.00 24.26 O ATOM 303 CB TYR E 59 1.908 76.286 19.050 1.00 24.26 C ATOM 304 CG TYR E 59 0.460 76.771 18.827 1.00 34.74 C ATOM 305 CD1 TYR E 59 0.248 78.102 18.580 1.00 34.74 C ATOM 306 CD2 TYR E 59 -0.560 75.858 18.640 1.00 34.74 C ATOM 307 CE1 TYR E 59 -0.993 78.552 18.162 1.00 34.74 C ATOM 308 CE2 TYR E 59 -1.813 76.295 18.228 1.00 34.74 C ATOM 309 CZ TYR E 59 -2.022 77.648 17.995 1.00 34.74 C ATOM 310 OH TYR E 59 -3.293 78.120 17.548 1.00 34.74 O ATOM 311 N LYS E 60 1.428 75.898 15.586 1.00 27.84 N ATOM 312 CA LYS E 60 0.919 76.641 14.399 1.00 27.84 C ATOM 313 C LYS E 60 -0.593 76.475 14.247 1.00 27.84 C ATOM 314 O LYS E 60 -1.126 75.390 14.590 1.00 27.84 O ATOM 315 CB LYS E 60 1.625 76.220 13.067 1.00 27.84 C ATOM 316 CG LYS E 60 3.154 76.443 13.128 1.00 42.17 C ATOM 317 CD LYS E 60 3.883 76.357 11.777 1.00 42.17 C ATOM 318 CE LYS E 60 3.575 77.529 10.825 1.00 42.17 C ATOM 319 NZ LYS E 60 4.299 77.325 9.558 1.00 42.17 N ATOM 320 N SER E 61 -1.228 77.300 13.447 1.00 32.13 N ATOM 321 CA SER E 61 -2.569 76.906 12.936 1.00 32.13 C ATOM 322 C SER E 61 -2.433 76.094 11.660 1.00 32.13 C ATOM 323 O SER E 61 -1.312 76.006 11.100 1.00 32.13 O ATOM 324 CB SER E 61 -3.364 78.155 12.592 1.00 32.13 C ATOM 325 OG SER E 61 -2.478 78.979 11.837 1.00 43.32 O ATOM 326 N GLY E 62 -3.508 75.509 11.226 1.00 32.58 N ATOM 327 CA GLY E 62 -3.446 74.663 10.033 1.00 32.58 C ATOM 328 C GLY E 62 -2.349 73.593 10.031 1.00 32.58 C ATOM 329 O GLY E 62 -1.650 73.392 8.995 1.00 32.58 O ATOM 330 N ILE E 63 -2.230 72.874 11.132 1.00 20.69 N ATOM 331 CA ILE E 63 -1.350 71.724 11.114 1.00 20.69 C ATOM 332 C ILE E 63 -1.986 70.525 10.390 1.00 20.69 C ATOM 333 O ILE E 63 -3.115 70.078 10.729 1.00 20.69 O ATOM 334 CB ILE E 63 -0.837 71.354 12.543 1.00 20.69 C ATOM 335 CG1 ILE E 63 -0.029 72.522 13.195 1.00 17.80 C ATOM 336 CG2 ILE E 63 -0.034 70.034 12.508 1.00 17.80 C ATOM 337 CD1 ILE E 63 0.312 72.295 14.676 1.00 17.80 C ATOM 338 N GLN E 64 -1.201 69.861 9.582 1.00 19.49 N ATOM 339 CA GLN E 64 -1.486 68.463 9.260 1.00 19.49 C ATOM 340 C GLN E 64 -0.475 67.521 9.940 1.00 19.49 C ATOM 341 O GLN E 64 0.771 67.708 9.901 1.00 19.49 O ATOM 342 CB GLN E 64 -1.455 68.340 7.723 1.00 19.49 C ATOM 343 CG GLN E 64 -1.580 66.896 7.261 1.00 22.21 C ATOM 344 CD GLN E 64 -1.711 66.956 5.760 1.00 22.21 C ATOM 345 OE1 GLN E 64 -2.843 67.183 5.278 1.00 22.21 O ATOM 346 NE2 GLN E 64 -0.624 67.295 5.151 1.00 22.21 N ATOM 347 N VAL E 65 -0.953 66.460 10.488 1.00 22.44 N ATOM 348 CA VAL E 65 -0.058 65.447 11.009 1.00 22.44 C ATOM 349 C VAL E 65 0.132 64.356 9.976 1.00 22.44 C ATOM 350 O VAL E 65 -0.898 63.850 9.483 1.00 22.44 O ATOM 351 CB VAL E 65 -0.660 64.835 12.307 1.00 22.44 C ATOM 352 CG1 VAL E 65 0.130 63.613 12.773 1.00 19.67 C ATOM 353 CG2 VAL E 65 -0.732 65.885 13.402 1.00 19.67 C ATOM 354 N ARG E 66 1.368 63.948 9.729 1.00 19.75 N ATOM 355 CA ARG E 66 1.655 62.774 8.886 1.00 19.75 C ATOM 356 C ARG E 66 2.273 61.580 9.604 1.00 19.75 C ATOM 357 O ARG E 66 3.386 61.704 10.192 1.00 19.75 O ATOM 358 CB ARG E 66 2.559 63.154 7.704 1.00 19.75 C ATOM 359 CG ARG E 66 1.942 64.386 7.033 1.00 29.83 C ATOM 360 CD ARG E 66 2.545 64.643 5.669 1.00 29.83 C ATOM 361 NE ARG E 66 1.846 65.765 5.029 1.00 29.83 N ATOM 362 CZ ARG E 66 2.255 66.247 3.862 1.00 29.83 C ATOM 363 NH1 ARG E 66 3.311 65.699 3.229 1.00 29.83 N ATOM 364 NH2 ARG E 66 1.533 67.179 3.263 1.00 29.83 N ATOM 365 N LEU E 67 1.554 60.479 9.524 1.00 23.62 N ATOM 366 CA LEU E 67 1.837 59.202 10.188 1.00 23.62 C ATOM 367 C LEU E 67 2.311 58.211 9.174 1.00 23.62 C ATOM 368 O LEU E 67 1.892 58.382 8.004 1.00 23.62 O ATOM 369 CB LEU E 67 0.592 58.589 10.870 1.00 23.62 C ATOM 370 CG LEU E 67 0.010 59.578 11.908 1.00 36.71 C ATOM 371 CD1 LEU E 67 -1.185 60.402 11.390 1.00 36.71 C ATOM 372 CD2 LEU E 67 -0.306 58.893 13.236 1.00 36.71 C ATOM 373 N GLY E 69 3.154 57.304 9.622 1.00 26.87 N ATOM 374 CA GLY E 69 3.672 56.273 8.725 1.00 26.87 C ATOM 375 C GLY E 69 4.627 56.803 7.646 1.00 26.87 C ATOM 376 O GLY E 69 4.852 56.098 6.635 1.00 26.87 O ATOM 377 N GLU E 70 5.292 57.911 7.916 1.00 26.19 N ATOM 378 CA GLU E 70 6.370 58.466 7.051 1.00 26.19 C ATOM 379 C GLU E 70 7.735 57.820 7.276 1.00 26.19 C ATOM 380 O GLU E 70 8.217 57.783 8.435 1.00 26.19 O ATOM 381 CB GLU E 70 6.564 59.988 7.264 1.00 26.19 C ATOM 382 CG GLU E 70 5.308 60.829 6.935 1.00 28.23 C ATOM 383 CD GLU E 70 5.274 61.103 5.434 1.00 28.23 C ATOM 384 OE1 GLU E 70 4.569 62.042 4.962 1.00 28.23 O ATOM 385 OE2 GLU E 70 5.957 60.383 4.659 1.00 28.23 O ATOM 386 N ASP E 71 8.446 57.714 6.161 1.00 24.38 N ATOM 387 CA ASP E 71 9.900 57.526 6.040 1.00 24.38 C ATOM 388 C ASP E 71 10.523 58.628 5.195 1.00 24.38 C ATOM 389 O ASP E 71 10.825 59.696 5.784 1.00 24.38 O ATOM 390 CB ASP E 71 10.257 56.134 5.471 1.00 24.38 C ATOM 391 CG ASP E 71 11.775 55.966 5.497 1.00 38.86 C ATOM 392 OD1 ASP E 71 12.401 56.289 6.533 1.00 38.86 O ATOM 393 OD2 ASP E 71 12.367 55.295 4.607 1.00 38.86 O ATOM 394 N ASN E 72 10.364 58.510 3.861 1.00 24.26 N ATOM 395 CA ASN E 72 10.616 59.648 2.920 1.00 24.26 C ATOM 396 C ASN E 72 9.482 60.653 2.906 1.00 24.26 C ATOM 397 O ASN E 72 8.378 60.319 2.388 1.00 24.26 O ATOM 398 CB ASN E 72 10.708 59.175 1.469 1.00 24.26 C ATOM 399 CG ASN E 72 11.231 60.249 0.515 1.00 21.68 C ATOM 400 OD1 ASN E 72 11.223 61.470 0.816 1.00 21.68 O ATOM 401 ND2 ASN E 72 12.128 59.732 -0.277 1.00 21.68 N ATOM 402 N ILE E 73 9.746 61.789 3.494 1.00 24.77 N ATOM 403 CA ILE E 73 8.690 62.797 3.734 1.00 24.77 C ATOM 404 C ILE E 73 8.460 63.559 2.447 1.00 24.77 C ATOM 405 O ILE E 73 7.647 64.503 2.376 1.00 24.77 O ATOM 406 CB ILE E 73 9.057 63.821 4.837 1.00 24.77 C ATOM 407 CG1 ILE E 73 10.493 64.393 4.703 1.00 21.70 C ATOM 408 CG2 ILE E 73 8.654 63.414 6.274 1.00 21.70 C ATOM 409 CD1 ILE E 73 10.666 65.829 5.268 1.00 21.70 C ATOM 410 N ASN E 74 9.284 63.264 1.491 1.00 31.12 N ATOM 411 CA ASN E 74 9.176 63.936 0.210 1.00 31.12 C ATOM 412 C ASN E 74 8.452 63.139 -0.860 1.00 31.12 C ATOM 413 O ASN E 74 8.088 63.748 -1.882 1.00 31.12 O ATOM 414 CB ASN E 74 10.523 64.456 -0.293 1.00 31.12 C ATOM 415 CG ASN E 74 10.803 65.767 0.448 1.00 35.03 C ATOM 416 OD1 ASN E 74 9.928 66.684 0.457 1.00 35.03 O ATOM 417 ND2 ASN E 74 12.013 65.881 0.962 1.00 35.03 N ATOM 418 N VAL E 75 8.203 61.864 -0.657 1.00 28.53 N ATOM 419 CA VAL E 75 7.431 61.121 -1.652 1.00 28.53 C ATOM 420 C VAL E 75 6.396 60.220 -0.992 1.00 28.53 C ATOM 421 O VAL E 75 6.507 59.871 0.213 1.00 28.53 O ATOM 422 CB VAL E 75 8.298 60.253 -2.619 1.00 28.53 C ATOM 423 CG1 VAL E 75 9.723 60.774 -2.835 1.00 27.18 C ATOM 424 CG2 VAL E 75 8.296 58.747 -2.317 1.00 27.18 C ATOM 425 N VAL E 76 5.386 59.941 -1.720 1.00 32.84 N ATOM 426 CA VAL E 76 4.295 59.150 -1.220 1.00 32.84 C ATOM 427 C VAL E 76 4.539 57.656 -1.416 1.00 32.84 C ATOM 428 O VAL E 76 4.852 57.225 -2.550 1.00 32.84 O ATOM 429 CB VAL E 76 2.974 59.683 -1.835 1.00 32.84 C ATOM 430 CG1 VAL E 76 1.790 58.741 -1.572 1.00 27.45 C ATOM 431 CG2 VAL E 76 2.662 61.119 -1.326 1.00 27.45 C ATOM 432 N GLU E 77 4.767 56.969 -0.301 1.00 37.23 N ATOM 433 CA GLU E 77 5.223 55.580 -0.276 1.00 37.23 C ATOM 434 C GLU E 77 4.130 54.526 -0.118 1.00 37.23 C ATOM 435 O GLU E 77 4.410 53.308 -0.315 1.00 37.23 O ATOM 436 CB GLU E 77 6.369 55.369 0.741 1.00 37.23 C ATOM 437 CG GLU E 77 7.575 56.249 0.355 1.00 50.13 C ATOM 438 CD GLU E 77 8.827 55.770 1.097 1.00 50.13 C ATOM 439 OE1 GLU E 77 9.433 56.588 1.820 1.00 50.13 O ATOM 440 OE2 GLU E 77 8.931 54.563 1.424 1.00 50.13 O ATOM 441 N GLY E 78 2.922 54.997 0.169 1.00 39.04 N ATOM 442 CA GLY E 78 1.743 54.139 0.362 1.00 39.04 C ATOM 443 C GLY E 78 1.490 53.708 1.803 1.00 39.04 C ATOM 444 O GLY E 78 0.638 52.804 2.043 1.00 39.04 O ATOM 445 N ASN E 79 2.237 54.261 2.744 1.00 36.16 N ATOM 446 CA ASN E 79 2.087 53.823 4.144 1.00 36.16 C ATOM 447 C ASN E 79 1.531 54.895 5.072 1.00 36.16 C ATOM 448 O ASN E 79 1.410 54.656 6.297 1.00 36.16 O ATOM 449 CB ASN E 79 3.423 53.331 4.734 1.00 36.16 C ATOM 450 CG ASN E 79 3.533 51.815 4.594 1.00 41.29 C ATOM 451 OD1 ASN E 79 4.645 51.293 4.313 1.00 41.29 O ATOM 452 ND2 ASN E 79 2.401 51.136 4.611 1.00 41.29 N ATOM 453 N GLU E 80 1.337 56.061 4.496 1.00 25.74 N ATOM 454 CA GLU E 80 0.977 57.284 5.179 1.00 25.74 C ATOM 455 C GLU E 80 -0.487 57.463 5.566 1.00 25.74 C ATOM 456 O GLU E 80 -1.429 56.989 4.877 1.00 25.74 O ATOM 457 CB GLU E 80 1.473 58.507 4.379 1.00 25.74 C ATOM 458 CG GLU E 80 2.979 58.434 4.110 1.00 39.90 C ATOM 459 CD GLU E 80 3.284 57.738 2.779 1.00 39.90 C ATOM 460 OE1 GLU E 80 2.468 56.948 2.212 1.00 39.90 O ATOM 461 OE2 GLU E 80 4.295 58.151 2.152 1.00 39.90 O ATOM 462 N GLN E 81 -0.653 58.210 6.624 1.00 20.87 N ATOM 463 CA GLN E 81 -1.968 58.715 6.973 1.00 20.87 C ATOM 464 C GLN E 81 -1.827 60.193 7.219 1.00 20.87 C ATOM 465 O GLN E 81 -1.056 60.566 8.122 1.00 20.87 O ATOM 466 CB GLN E 81 -2.575 58.017 8.205 1.00 20.87 C ATOM 467 CG GLN E 81 -2.619 56.477 8.022 1.00 26.90 C ATOM 468 CD GLN E 81 -3.108 55.729 9.266 1.00 26.90 C ATOM 469 OE1 GLN E 81 -4.009 56.226 9.985 1.00 26.90 O ATOM 470 NE2 GLN E 81 -2.801 54.441 9.282 1.00 26.90 N ATOM 471 N PHE E 82 -2.446 61.005 6.400 1.00 26.05 N ATOM 472 CA PHE E 82 -2.387 62.454 6.582 1.00 26.05 C ATOM 473 C PHE E 82 -3.660 62.867 7.293 1.00 26.05 C ATOM 474 O PHE E 82 -4.756 62.713 6.720 1.00 26.05 O ATOM 475 CB PHE E 82 -2.348 63.239 5.243 1.00 26.05 C ATOM 476 CG PHE E 82 -1.065 63.056 4.378 1.00 29.28 C ATOM 477 CD1 PHE E 82 -0.975 63.698 3.159 1.00 29.28 C ATOM 478 CD2 PHE E 82 -0.013 62.263 4.801 1.00 29.28 C ATOM 479 CE1 PHE E 82 0.146 63.525 2.353 1.00 29.28 C ATOM 480 CE2 PHE E 82 1.112 62.080 3.992 1.00 29.28 C ATOM 481 CZ PHE E 82 1.193 62.706 2.770 1.00 29.28 C ATOM 482 N ILE E 83 -3.564 63.232 8.529 1.00 18.22 N ATOM 483 CA ILE E 83 -4.736 63.706 9.284 1.00 18.22 C ATOM 484 C ILE E 83 -4.541 65.104 9.866 1.00 18.22 C ATOM 485 O ILE E 83 -3.512 65.335 10.523 1.00 18.22 O ATOM 486 CB ILE E 83 -5.019 62.751 10.444 1.00 18.22 C ATOM 487 CG1 ILE E 83 -4.866 61.283 9.950 1.00 18.78 C ATOM 488 CG2 ILE E 83 -6.409 63.106 11.058 1.00 18.78 C ATOM 489 CD1 ILE E 83 -5.157 60.164 10.965 1.00 18.78 C ATOM 490 N SER E 84 -5.496 65.991 9.701 1.00 22.36 N ATOM 491 CA SER E 84 -5.474 67.332 10.289 1.00 22.36 C ATOM 492 C SER E 84 -5.787 67.353 11.785 1.00 22.36 C ATOM 493 O SER E 84 -6.391 66.400 12.323 1.00 22.36 O ATOM 494 CB SER E 84 -6.495 68.179 9.517 1.00 22.36 C ATOM 495 OG SER E 84 -6.255 67.924 8.110 1.00 38.37 O ATOM 496 N ALA E 85 -5.305 68.358 12.439 1.00 23.56 N ATOM 497 CA ALA E 85 -5.447 68.550 13.863 1.00 23.56 C ATOM 498 C ALA E 85 -6.788 69.223 14.151 1.00 23.56 C ATOM 499 O ALA E 85 -7.014 70.327 13.596 1.00 23.56 O ATOM 500 CB ALA E 85 -4.353 69.564 14.238 1.00 23.56 C ATOM 501 N SER E 86 -7.593 68.682 15.068 1.00 19.27 N ATOM 502 CA SER E 86 -8.818 69.393 15.521 1.00 19.27 C ATOM 503 C SER E 86 -8.576 70.409 16.610 1.00 19.27 C ATOM 504 O SER E 86 -9.243 71.462 16.582 1.00 19.27 O ATOM 505 CB SER E 86 -9.949 68.504 16.009 1.00 19.27 C ATOM 506 OG SER E 86 -9.323 67.379 16.633 1.00 42.41 O ATOM 507 N LYS E 87 -7.620 70.115 17.461 1.00 25.81 N ATOM 508 CA LYS E 87 -7.180 70.949 18.584 1.00 25.81 C ATOM 509 C LYS E 87 -5.666 70.838 18.776 1.00 25.81 C ATOM 510 O LYS E 87 -5.108 69.720 18.617 1.00 25.81 O ATOM 511 CB LYS E 87 -7.697 70.343 19.893 1.00 25.81 C ATOM 512 CG LYS E 87 -9.205 70.347 20.071 1.00 34.74 C ATOM 513 CD LYS E 87 -9.625 69.657 21.367 1.00 34.74 C ATOM 514 CE LYS E 87 -11.133 69.883 21.606 0.00 0.00 C ATOM 515 NZ LYS E 87 -11.528 69.483 22.960 0.00 0.00 N ATOM 516 N SER E 88 -5.116 71.908 19.319 1.00 25.78 N ATOM 517 CA SER E 88 -3.720 72.063 19.702 1.00 25.78 C ATOM 518 C SER E 88 -3.634 72.748 21.037 1.00 25.78 C ATOM 519 O SER E 88 -4.102 73.899 21.143 1.00 25.78 O ATOM 520 CB SER E 88 -2.929 72.920 18.694 1.00 25.78 C ATOM 521 OG SER E 88 -2.830 72.182 17.482 1.00 40.15 O ATOM 522 N ILE E 89 -3.185 71.999 22.031 1.00 23.62 N ATOM 523 CA ILE E 89 -3.213 72.515 23.385 1.00 23.62 C ATOM 524 C ILE E 89 -1.790 72.693 23.927 1.00 23.62 C ATOM 525 O ILE E 89 -1.065 71.696 24.150 1.00 23.62 O ATOM 526 CB ILE E 89 -4.072 71.598 24.298 1.00 23.62 C ATOM 527 CG1 ILE E 89 -5.475 71.304 23.740 1.00 27.00 C ATOM 528 CG2 ILE E 89 -4.162 72.103 25.746 1.00 27.00 C ATOM 529 CD1 ILE E 89 -6.188 70.140 24.475 1.00 27.00 C ATOM 530 N VAL E 90 -1.361 73.928 24.006 1.00 29.78 N ATOM 531 CA VAL E 90 -0.024 74.310 24.492 1.00 29.78 C ATOM 532 C VAL E 90 -0.101 74.403 26.007 1.00 29.78 C ATOM 533 O VAL E 90 -1.233 74.380 26.535 1.00 29.78 O ATOM 534 CB VAL E 90 0.401 75.666 23.859 1.00 29.78 C ATOM 535 CG1 VAL E 90 1.626 76.304 24.522 1.00 25.60 C ATOM 536 CG2 VAL E 90 0.656 75.559 22.350 1.00 25.60 C ATOM 537 N HIS E 91 0.949 74.020 26.699 1.00 24.85 N ATOM 538 CA HIS E 91 0.815 73.817 28.138 1.00 24.85 C ATOM 539 C HIS E 91 0.597 75.166 28.845 1.00 24.85 C ATOM 540 O HIS E 91 0.961 76.251 28.315 1.00 24.85 O ATOM 541 CB HIS E 91 2.004 72.972 28.640 1.00 24.85 C ATOM 542 CG HIS E 91 2.043 72.775 30.152 1.00 17.62 C ATOM 543 ND1 HIS E 91 2.180 73.876 31.034 1.00 17.62 N ATOM 544 CD2 HIS E 91 1.886 71.644 30.852 1.00 17.62 C ATOM 545 CE1 HIS E 91 2.088 73.353 32.325 1.00 17.62 C ATOM 546 NE2 HIS E 91 1.902 71.967 32.220 1.00 17.62 N ATOM 547 N PRO E 92 -0.385 75.157 29.725 1.00 27.94 N ATOM 548 CA PRO E 92 -0.943 76.397 30.272 1.00 27.94 C ATOM 549 C PRO E 92 0.149 77.293 30.847 1.00 27.94 C ATOM 550 O PRO E 92 0.046 78.541 30.796 1.00 27.94 O ATOM 551 CB PRO E 92 -1.870 75.949 31.423 1.00 27.94 C ATOM 552 CG PRO E 92 -1.889 74.407 31.429 1.00 22.52 C ATOM 553 CD PRO E 92 -1.062 73.948 30.232 1.00 22.52 C ATOM 554 N SER E 93 1.221 76.672 31.293 1.00 26.28 N ATOM 555 CA SER E 93 2.348 77.427 31.805 1.00 26.28 C ATOM 556 C SER E 93 3.566 77.479 30.889 1.00 26.28 C ATOM 557 O SER E 93 4.647 77.896 31.364 1.00 26.28 O ATOM 558 CB SER E 93 2.730 76.798 33.140 1.00 26.28 C ATOM 559 OG SER E 93 1.595 76.977 34.005 1.00 41.23 O ATOM 560 N TYR E 94 3.382 77.270 29.598 1.00 19.51 N ATOM 561 CA TYR E 94 4.515 77.510 28.668 1.00 19.51 C ATOM 562 C TYR E 94 5.084 78.927 28.686 1.00 19.51 C ATOM 563 O TYR E 94 4.328 79.895 28.456 1.00 19.51 O ATOM 564 CB TYR E 94 4.142 77.106 27.228 1.00 19.51 C ATOM 565 CG TYR E 94 5.223 77.435 26.186 1.00 25.16 C ATOM 566 CD1 TYR E 94 4.925 78.333 25.163 1.00 25.16 C ATOM 567 CD2 TYR E 94 6.472 76.831 26.244 1.00 25.16 C ATOM 568 CE1 TYR E 94 5.884 78.669 24.195 1.00 25.16 C ATOM 569 CE2 TYR E 94 7.443 77.156 25.265 1.00 25.16 C ATOM 570 CZ TYR E 94 7.139 78.085 24.253 1.00 25.16 C ATOM 571 OH TYR E 94 8.133 78.473 23.311 1.00 25.16 O ATOM 572 N ASN E 95 6.391 79.073 28.996 1.00 22.63 N ATOM 573 CA ASN E 95 7.058 80.395 28.972 1.00 22.63 C ATOM 574 C ASN E 95 7.943 80.554 27.731 1.00 22.63 C ATOM 575 O ASN E 95 8.886 79.753 27.503 1.00 22.63 O ATOM 576 CB ASN E 95 7.944 80.629 30.218 1.00 22.63 C ATOM 577 CG ASN E 95 8.526 82.040 30.166 1.00 40.95 C ATOM 578 OD1 ASN E 95 9.440 82.339 29.384 1.00 40.95 O ATOM 579 ND2 ASN E 95 7.965 82.949 30.889 1.00 40.95 N ATOM 580 N SER E 96 7.582 81.484 26.878 1.00 24.63 N ATOM 581 CA SER E 96 8.214 81.550 25.565 1.00 24.63 C ATOM 582 C SER E 96 9.588 82.207 25.621 1.00 24.63 C ATOM 583 O SER E 96 10.451 82.041 24.722 1.00 24.63 O ATOM 584 CB SER E 96 7.285 82.228 24.528 1.00 24.63 C ATOM 585 OG SER E 96 7.271 83.653 24.747 1.00 36.16 O ATOM 586 N ASN E 97 9.851 82.845 26.716 1.00 24.81 N ATOM 587 CA ASN E 97 11.221 83.315 26.909 1.00 24.81 C ATOM 588 C ASN E 97 12.171 82.261 27.441 1.00 24.81 C ATOM 589 O ASN E 97 13.291 82.156 26.904 1.00 24.81 O ATOM 590 CB ASN E 97 11.289 84.536 27.818 1.00 24.81 C ATOM 591 CG ASN E 97 11.124 85.736 26.887 1.00 55.64 C ATOM 592 OD1 ASN E 97 12.159 86.205 26.337 1.00 55.64 O ATOM 593 ND2 ASN E 97 9.931 85.811 26.316 1.00 55.64 N ATOM 594 N THR E 98 11.755 81.534 28.437 1.00 24.01 N ATOM 595 CA THR E 98 12.629 80.573 29.140 1.00 24.01 C ATOM 596 C THR E 98 12.481 79.155 28.655 1.00 24.01 C ATOM 597 O THR E 98 13.345 78.295 28.960 1.00 24.01 O ATOM 598 CB THR E 98 12.382 80.592 30.653 1.00 24.01 C ATOM 599 OG1 THR E 98 11.108 79.991 30.903 1.00 31.35 O ATOM 600 CG2 THR E 98 12.385 82.040 31.185 1.00 31.35 C ATOM 601 N LEU E 99 11.429 78.956 27.883 1.00 16.62 N ATOM 602 CA LEU E 99 11.188 77.677 27.235 1.00 16.62 C ATOM 603 C LEU E 99 10.836 76.635 28.268 1.00 16.62 C ATOM 604 O LEU E 99 10.721 75.440 27.930 1.00 16.62 O ATOM 605 CB LEU E 99 12.346 77.203 26.331 1.00 16.62 C ATOM 606 CG LEU E 99 12.930 78.358 25.475 1.00 24.72 C ATOM 607 CD1 LEU E 99 14.168 77.950 24.660 1.00 24.72 C ATOM 608 CD2 LEU E 99 11.885 79.144 24.647 1.00 24.72 C ATOM 609 N ASN E 100 10.428 77.136 29.432 1.00 18.90 N ATOM 610 CA ASN E 100 9.865 76.242 30.449 1.00 18.90 C ATOM 611 C ASN E 100 8.470 75.740 30.075 1.00 18.90 C ATOM 612 O ASN E 100 7.602 76.524 29.624 1.00 18.90 O ATOM 613 CB ASN E 100 9.895 76.888 31.848 1.00 18.90 C ATOM 614 CG ASN E 100 9.596 75.854 32.941 1.00 26.53 C ATOM 615 OD1 ASN E 100 9.124 76.275 34.022 1.00 26.53 O ATOM 616 ND2 ASN E 100 10.203 74.688 32.856 1.00 26.53 N ATOM 617 N ASN E 101 8.293 74.466 30.282 1.00 30.07 N ATOM 618 CA ASN E 101 7.076 73.695 30.004 1.00 30.07 C ATOM 619 C ASN E 101 6.811 73.640 28.519 1.00 30.07 C ATOM 620 O ASN E 101 5.665 73.931 28.095 1.00 30.07 O ATOM 621 CB ASN E 101 5.814 74.225 30.717 1.00 30.07 C ATOM 622 CG ASN E 101 6.024 74.323 32.227 1.00 21.16 C ATOM 623 OD1 ASN E 101 6.182 73.295 32.917 1.00 21.16 O ATOM 624 ND2 ASN E 101 6.034 75.524 32.717 1.00 21.16 N ATOM 625 N ASP E 102 7.878 73.336 27.777 1.00 19.14 N ATOM 626 CA ASP E 102 7.817 73.290 26.310 1.00 19.14 C ATOM 627 C ASP E 102 7.156 72.034 25.773 1.00 19.14 C ATOM 628 O ASP E 102 7.841 71.047 25.376 1.00 19.14 O ATOM 629 CB ASP E 102 9.217 73.490 25.717 1.00 19.14 C ATOM 630 CG ASP E 102 9.179 73.915 24.258 1.00 21.18 C ATOM 631 OD1 ASP E 102 8.113 73.873 23.572 1.00 21.18 O ATOM 632 OD2 ASP E 102 10.295 73.989 23.683 1.00 21.18 O ATOM 633 N ILE E 103 5.847 72.024 25.963 1.00 18.69 N ATOM 634 CA ILE E 103 4.996 70.812 25.703 1.00 18.69 C ATOM 635 C ILE E 103 3.568 71.105 25.233 1.00 18.69 C ATOM 636 O ILE E 103 2.895 72.088 25.693 1.00 18.69 O ATOM 637 CB ILE E 103 5.014 69.792 26.894 1.00 18.69 C ATOM 638 CG1 ILE E 103 4.431 68.426 26.452 1.00 13.70 C ATOM 639 CG2 ILE E 103 4.303 70.381 28.130 1.00 13.70 C ATOM 640 CD1 ILE E 103 4.474 67.310 27.502 1.00 13.70 C ATOM 641 N MET E 104 3.164 70.338 24.210 1.00 20.80 N ATOM 642 CA MET E 104 1.862 70.552 23.581 1.00 20.80 C ATOM 643 C MET E 104 1.243 69.275 23.035 1.00 20.80 C ATOM 644 O MET E 104 1.952 68.308 22.674 1.00 20.80 O ATOM 645 CB MET E 104 1.973 71.655 22.496 1.00 20.80 C ATOM 646 CG MET E 104 0.977 71.491 21.316 1.00 21.58 C ATOM 647 SD MET E 104 1.163 72.666 19.970 1.00 21.58 S ATOM 648 CE MET E 104 2.151 71.625 18.910 1.00 21.58 C ATOM 649 N LEU E 105 -0.061 69.228 23.133 1.00 24.63 N ATOM 650 CA LEU E 105 -0.870 68.100 22.686 1.00 24.63 C ATOM 651 C LEU E 105 -1.760 68.455 21.493 1.00 24.63 C ATOM 652 O LEU E 105 -2.342 69.569 21.408 1.00 24.63 O ATOM 653 CB LEU E 105 -1.769 67.650 23.857 1.00 24.63 C ATOM 654 CG LEU E 105 -0.970 66.948 24.979 1.00 23.10 C ATOM 655 CD1 LEU E 105 -1.818 66.767 26.238 1.00 23.10 C ATOM 656 CD2 LEU E 105 -0.410 65.584 24.523 1.00 23.10 C ATOM 657 N ILE E 106 -1.756 67.552 20.558 1.00 21.36 N ATOM 658 CA ILE E 106 -2.472 67.737 19.336 1.00 21.36 C ATOM 659 C ILE E 106 -3.494 66.635 19.104 1.00 21.36 C ATOM 660 O ILE E 106 -3.199 65.409 19.174 1.00 21.36 O ATOM 661 CB ILE E 106 -1.524 67.894 18.127 1.00 21.36 C ATOM 662 CG1 ILE E 106 -0.398 68.905 18.360 1.00 25.68 C ATOM 663 CG2 ILE E 106 -2.273 68.277 16.830 1.00 25.68 C ATOM 664 CD1 ILE E 106 0.640 68.839 17.226 1.00 25.68 C ATOM 665 N LYS E 107 -4.727 67.084 19.023 1.00 15.14 N ATOM 666 CA LYS E 107 -5.786 66.115 18.829 1.00 15.14 C ATOM 667 C LYS E 107 -6.094 65.998 17.345 1.00 15.14 C ATOM 668 O LYS E 107 -6.036 67.041 16.671 1.00 15.14 O ATOM 669 CB LYS E 107 -7.022 66.615 19.562 1.00 15.14 C ATOM 670 CG LYS E 107 -8.008 65.456 19.616 1.00 29.40 C ATOM 671 CD LYS E 107 -9.331 65.932 20.240 1.00 29.40 C ATOM 672 CE LYS E 107 -10.290 64.739 20.313 1.00 29.40 C ATOM 673 NZ LYS E 107 -11.499 65.174 20.985 1.00 29.40 N ATOM 674 N LEU E 108 -6.012 64.823 16.796 1.00 24.89 N ATOM 675 CA LEU E 108 -6.250 64.600 15.366 1.00 24.89 C ATOM 676 C LEU E 108 -7.760 64.686 15.074 1.00 24.89 C ATOM 677 O LEU E 108 -8.548 64.201 15.924 1.00 24.89 O ATOM 678 CB LEU E 108 -5.854 63.117 15.048 1.00 24.89 C ATOM 679 CG LEU E 108 -4.356 62.801 15.254 1.00 19.93 C ATOM 680 CD1 LEU E 108 -3.926 61.423 14.671 1.00 19.93 C ATOM 681 CD2 LEU E 108 -3.481 63.959 14.746 1.00 19.93 C ATOM 682 N LYS E 109 -8.183 65.208 13.937 1.00 29.55 N ATOM 683 CA LYS E 109 -9.606 65.308 13.515 1.00 29.55 C ATOM 684 C LYS E 109 -10.296 63.956 13.507 1.00 29.55 C ATOM 685 O LYS E 109 -11.459 63.849 13.950 1.00 29.55 O ATOM 686 CB LYS E 109 -9.735 65.863 12.073 1.00 29.55 C ATOM 687 CG LYS E 109 -9.563 67.390 12.087 1.00 40.97 C ATOM 688 CD LYS E 109 -9.786 68.052 10.717 0.00 0.00 C ATOM 689 CE LYS E 109 -9.590 69.577 10.813 0.00 0.00 C ATOM 690 NZ LYS E 109 -9.786 70.206 9.501 0.00 0.00 N ATOM 691 N SER E 110 -9.555 62.955 13.147 1.00 28.43 N ATOM 692 CA SER E 110 -10.008 61.583 13.293 1.00 28.43 C ATOM 693 C SER E 110 -8.888 60.656 13.754 1.00 28.43 C ATOM 694 O SER E 110 -7.684 60.990 13.658 1.00 28.43 O ATOM 695 CB SER E 110 -10.611 61.065 11.976 1.00 28.43 C ATOM 696 OG SER E 110 -9.555 60.870 11.000 1.00 49.45 O ATOM 697 N ALA E 111 -9.278 59.552 14.270 1.00 26.94 N ATOM 698 CA ALA E 111 -8.350 58.631 14.874 1.00 26.94 C ATOM 699 C ALA E 111 -7.563 57.931 13.788 1.00 26.94 C ATOM 700 O ALA E 111 -8.123 57.608 12.722 1.00 26.94 O ATOM 701 CB ALA E 111 -9.173 57.607 15.677 1.00 26.94 C ATOM 702 N ALA E 112 -6.302 57.804 13.980 1.00 27.55 N ATOM 703 CA ALA E 112 -5.434 57.061 13.074 1.00 27.55 C ATOM 704 C ALA E 112 -5.784 55.587 13.106 1.00 27.55 C ATOM 705 O ALA E 112 -6.070 55.069 14.209 1.00 27.55 O ATOM 706 CB ALA E 112 -3.988 57.176 13.561 1.00 27.55 C ATOM 707 N SER E 113 -5.452 54.883 12.046 1.00 28.91 N ATOM 708 CA SER E 113 -5.409 53.440 12.177 1.00 28.91 C ATOM 709 C SER E 113 -4.069 52.852 12.589 1.00 28.91 C ATOM 710 O SER E 113 -2.967 53.074 12.014 1.00 28.91 O ATOM 711 CB SER E 113 -6.069 52.703 11.022 1.00 28.91 C ATOM 712 OG SER E 113 -5.567 53.315 9.852 1.00 41.09 O ATOM 713 N LEU E 114 -4.166 52.245 13.707 1.00 38.62 N ATOM 714 CA LEU E 114 -2.961 51.681 14.232 1.00 38.62 C ATOM 715 C LEU E 114 -2.590 50.379 13.529 1.00 38.62 C ATOM 716 O LEU E 114 -3.351 49.384 13.516 1.00 38.62 O ATOM 717 CB LEU E 114 -3.046 51.573 15.770 1.00 38.62 C ATOM 718 CG LEU E 114 -3.242 52.949 16.467 1.00 45.76 C ATOM 719 CD1 LEU E 114 -3.104 52.864 18.003 1.00 45.76 C ATOM 720 CD2 LEU E 114 -2.291 54.038 15.936 1.00 45.76 C ATOM 721 N ASN E 115 -1.445 50.367 12.906 1.00 36.71 N ATOM 722 CA ASN E 115 -0.913 49.088 12.410 1.00 36.71 C ATOM 723 C ASN E 115 0.525 48.875 12.841 1.00 36.71 C ATOM 724 O ASN E 115 0.917 49.304 13.954 1.00 36.71 O ATOM 725 CB ASN E 115 -1.064 48.964 10.882 1.00 36.71 C ATOM 726 CG ASN E 115 -0.532 50.217 10.186 1.00 52.02 C ATOM 727 OD1 ASN E 115 0.677 50.550 10.289 1.00 52.02 O ATOM 728 ND2 ASN E 115 -1.480 51.026 9.736 1.00 52.02 N ATOM 729 N SER E 116 1.290 48.268 11.995 1.00 38.87 N ATOM 730 CA SER E 116 2.717 48.000 12.286 1.00 38.87 C ATOM 731 C SER E 116 3.620 49.162 11.922 1.00 38.87 C ATOM 732 O SER E 116 4.704 49.340 12.537 1.00 38.87 O ATOM 733 CB SER E 116 3.172 46.774 11.481 1.00 38.87 C ATOM 734 OG SER E 116 2.696 46.929 10.128 1.00 45.33 O ATOM 735 N ARG E 117 3.197 49.900 10.932 1.00 31.51 N ATOM 736 CA ARG E 117 3.938 51.072 10.475 1.00 31.51 C ATOM 737 C ARG E 117 3.584 52.302 11.302 1.00 31.51 C ATOM 738 O ARG E 117 4.229 53.355 11.091 1.00 31.51 O ATOM 739 CB ARG E 117 3.607 51.361 8.996 1.00 31.51 C ATOM 740 CG ARG E 117 3.530 50.081 8.136 1.00 45.69 C ATOM 741 CD ARG E 117 4.892 49.587 7.620 1.00 45.69 C ATOM 742 NE ARG E 117 4.698 48.460 6.693 1.00 45.69 N ATOM 743 CZ ARG E 117 5.698 47.729 6.248 0.00 0.00 C ATOM 744 NH1 ARG E 117 6.929 48.006 6.629 0.00 0.00 N ATOM 745 NH2 ARG E 117 5.469 46.729 5.421 0.00 0.00 N ATOM 746 N VAL E 118 2.482 52.239 12.038 1.00 24.92 N ATOM 747 CA VAL E 118 1.932 53.356 12.860 1.00 24.92 C ATOM 748 C VAL E 118 1.453 52.882 14.233 1.00 24.92 C ATOM 749 O VAL E 118 0.507 52.064 14.362 1.00 24.92 O ATOM 750 CB VAL E 118 0.743 54.102 12.215 1.00 24.92 C ATOM 751 CG1 VAL E 118 0.280 55.319 13.033 1.00 36.20 C ATOM 752 CG2 VAL E 118 0.997 54.516 10.770 1.00 36.20 C ATOM 753 N ALA E 119 2.265 53.151 15.188 1.00 33.45 N ATOM 754 CA ALA E 119 2.039 52.646 16.536 1.00 33.45 C ATOM 755 C ALA E 119 2.282 53.755 17.550 1.00 33.45 C ATOM 756 O ALA E 119 2.938 54.762 17.190 1.00 33.45 O ATOM 757 CB ALA E 119 3.012 51.486 16.779 1.00 33.45 C ATOM 758 N SER E 120 1.747 53.648 18.733 1.00 29.12 N ATOM 759 CA SER E 120 1.981 54.725 19.679 1.00 29.12 C ATOM 760 C SER E 120 3.039 54.364 20.703 1.00 29.12 C ATOM 761 O SER E 120 3.667 53.283 20.581 1.00 29.12 O ATOM 762 CB SER E 120 0.685 55.140 20.374 1.00 29.12 C ATOM 763 OG SER E 120 0.331 54.072 21.227 1.00 36.29 O ATOM 764 N ILE E 121 3.447 55.361 21.455 1.00 23.45 N ATOM 765 CA ILE E 121 4.541 55.209 22.432 1.00 23.45 C ATOM 766 C ILE E 121 3.967 55.327 23.833 1.00 23.45 C ATOM 767 O ILE E 121 2.972 56.085 24.050 1.00 23.45 O ATOM 768 CB ILE E 121 5.757 56.164 22.167 1.00 23.45 C ATOM 769 CG1 ILE E 121 7.080 55.727 22.870 1.00 19.09 C ATOM 770 CG2 ILE E 121 5.484 57.646 22.466 1.00 19.09 C ATOM 771 CD1 ILE E 121 7.473 54.283 22.496 1.00 19.09 C ATOM 772 N SER E 122 4.476 54.483 24.715 1.00 24.17 N ATOM 773 CA SER E 122 4.040 54.519 26.116 1.00 24.17 C ATOM 774 C SER E 122 4.607 55.721 26.829 1.00 24.17 C ATOM 775 O SER E 122 5.806 56.059 26.642 1.00 24.17 O ATOM 776 CB SER E 122 4.508 53.300 26.887 1.00 24.17 C ATOM 777 OG SER E 122 4.363 52.154 26.022 1.00 48.42 O ATOM 778 N LEU E 123 3.759 56.336 27.609 1.00 27.39 N ATOM 779 CA LEU E 123 4.244 57.318 28.563 1.00 27.39 C ATOM 780 C LEU E 123 5.011 56.627 29.687 1.00 27.39 C ATOM 781 O LEU E 123 4.588 55.540 30.153 1.00 27.39 O ATOM 782 CB LEU E 123 3.050 58.038 29.188 1.00 27.39 C ATOM 783 CG LEU E 123 2.471 59.054 28.210 1.00 30.72 C ATOM 784 CD1 LEU E 123 1.492 59.923 28.999 1.00 30.72 C ATOM 785 CD2 LEU E 123 3.607 59.926 27.627 1.00 30.72 C ATOM 786 N PRO E 124 6.003 57.279 30.224 1.00 34.45 N ATOM 787 CA PRO E 124 6.780 56.742 31.332 1.00 34.45 C ATOM 788 C PRO E 124 6.016 56.669 32.661 1.00 34.45 C ATOM 789 O PRO E 124 5.201 57.570 33.007 1.00 34.45 O ATOM 790 CB PRO E 124 7.912 57.765 31.565 1.00 34.45 C ATOM 791 CG PRO E 124 7.477 59.066 30.909 1.00 24.37 C ATOM 792 CD PRO E 124 6.310 58.693 29.969 1.00 24.37 C ATOM 793 N THR E 125 6.490 55.760 33.489 1.00 43.02 N ATOM 794 CA THR E 125 6.067 55.662 34.889 1.00 43.02 C ATOM 795 C THR E 125 7.013 56.420 35.778 1.00 43.02 C ATOM 796 O THR E 125 6.545 57.263 36.580 1.00 43.02 O ATOM 797 CB THR E 125 6.153 54.219 35.327 1.00 43.02 C ATOM 798 OG1 THR E 125 7.231 53.659 34.556 1.00 46.66 O ATOM 799 CG2 THR E 125 4.826 53.504 35.017 1.00 46.66 C ATOM 800 N SER E 127 8.282 56.272 35.493 1.00 35.38 N ATOM 801 CA SER E 127 9.260 57.100 36.205 1.00 35.38 C ATOM 802 C SER E 127 10.146 57.933 35.272 1.00 35.38 C ATOM 803 O SER E 127 10.312 57.570 34.081 1.00 35.38 O ATOM 804 CB SER E 127 10.117 56.133 37.037 1.00 35.38 C ATOM 805 OG SER E 127 10.172 54.868 36.371 1.00 43.53 O ATOM 806 N CYS E 128 10.875 58.849 35.844 1.00 29.16 N ATOM 807 CA CYS E 128 11.957 59.524 35.131 1.00 29.16 C ATOM 808 C CYS E 128 13.216 58.700 34.901 1.00 29.16 C ATOM 809 O CYS E 128 13.751 58.069 35.850 1.00 29.16 O ATOM 810 CB CYS E 128 12.395 60.685 35.976 1.00 29.16 C ATOM 811 SG CYS E 128 11.058 61.809 36.281 1.00 28.39 S ATOM 812 N ALA E 129 13.803 58.887 33.749 1.00 32.91 N ATOM 813 CA ALA E 129 15.123 58.319 33.500 1.00 32.91 C ATOM 814 C ALA E 129 16.232 59.008 34.299 1.00 32.91 C ATOM 815 O ALA E 129 16.219 60.255 34.465 1.00 32.91 O ATOM 816 CB ALA E 129 15.450 58.329 32.003 1.00 32.91 C ATOM 817 N SER E 130 17.257 58.243 34.554 1.00 28.98 N ATOM 818 CA SER E 130 18.539 58.685 35.142 1.00 28.98 C ATOM 819 C SER E 130 19.663 58.978 34.131 1.00 28.98 C ATOM 820 O SER E 130 19.749 58.372 33.024 1.00 28.98 O ATOM 821 CB SER E 130 19.001 57.507 35.991 1.00 28.98 C ATOM 822 OG SER E 130 18.724 56.330 35.192 1.00 45.21 O ATOM 823 N ALA E 132 20.613 59.768 34.596 1.00 23.55 N ATOM 824 CA ALA E 132 21.849 59.944 33.860 1.00 23.55 C ATOM 825 C ALA E 132 22.502 58.632 33.430 1.00 23.55 C ATOM 826 O ALA E 132 22.404 57.580 34.124 1.00 23.55 O ATOM 827 CB ALA E 132 22.857 60.821 34.595 1.00 23.55 C ATOM 828 N GLY E 133 22.921 58.628 32.199 1.00 23.49 N ATOM 829 CA GLY E 133 23.507 57.433 31.634 1.00 23.49 C ATOM 830 C GLY E 133 22.554 56.463 30.956 1.00 23.49 C ATOM 831 O GLY E 133 23.031 55.562 30.213 1.00 23.49 O ATOM 832 N THR E 134 21.267 56.765 31.052 1.00 22.75 N ATOM 833 CA THR E 134 20.294 56.040 30.192 1.00 22.75 C ATOM 834 C THR E 134 20.517 56.352 28.715 1.00 22.75 C ATOM 835 O THR E 134 20.524 57.546 28.304 1.00 22.75 O ATOM 836 CB THR E 134 18.854 56.394 30.596 1.00 22.75 C ATOM 837 OG1 THR E 134 18.780 56.160 32.007 1.00 22.62 O ATOM 838 CG2 THR E 134 17.838 55.472 29.893 1.00 22.62 C ATOM 839 N GLN E 135 20.690 55.315 27.941 1.00 26.80 N ATOM 840 CA GLN E 135 20.804 55.499 26.502 1.00 26.80 C ATOM 841 C GLN E 135 19.429 55.512 25.839 1.00 26.80 C ATOM 842 O GLN E 135 18.579 54.649 26.166 1.00 26.80 O ATOM 843 CB GLN E 135 21.683 54.423 25.848 1.00 26.80 C ATOM 844 CG GLN E 135 22.894 55.111 25.172 1.00 43.02 C ATOM 845 CD GLN E 135 23.256 54.369 23.883 1.00 43.02 C ATOM 846 OE1 GLN E 135 22.386 53.657 23.322 0.00 0.00 O ATOM 847 NE2 GLN E 135 24.547 54.301 23.629 0.00 0.00 N ATOM 848 N CYS E 136 19.197 56.546 25.086 1.00 19.40 N ATOM 849 CA CYS E 136 17.922 56.852 24.406 1.00 19.40 C ATOM 850 C CYS E 136 18.036 56.953 22.882 1.00 19.40 C ATOM 851 O CYS E 136 19.110 57.283 22.317 1.00 19.40 O ATOM 852 CB CYS E 136 17.536 58.220 24.959 1.00 19.40 C ATOM 853 SG CYS E 136 17.314 58.239 26.752 1.00 24.84 S ATOM 854 N LEU E 137 16.896 56.870 22.258 1.00 25.29 N ATOM 855 CA LEU E 137 16.759 57.125 20.827 1.00 25.29 C ATOM 856 C LEU E 137 16.046 58.441 20.497 1.00 25.29 C ATOM 857 O LEU E 137 14.845 58.660 20.814 1.00 25.29 O ATOM 858 CB LEU E 137 16.038 55.930 20.176 1.00 25.29 C ATOM 859 CG LEU E 137 16.182 55.954 18.654 1.00 19.68 C ATOM 860 CD1 LEU E 137 17.642 55.687 18.230 1.00 19.68 C ATOM 861 CD2 LEU E 137 15.224 54.923 18.014 1.00 19.68 C ATOM 862 N ILE E 138 16.773 59.272 19.819 1.00 24.64 N ATOM 863 CA ILE E 138 16.293 60.530 19.285 1.00 24.64 C ATOM 864 C ILE E 138 16.158 60.460 17.767 1.00 24.64 C ATOM 865 O ILE E 138 17.060 59.905 17.104 1.00 24.64 O ATOM 866 CB ILE E 138 17.256 61.636 19.698 1.00 24.64 C ATOM 867 CG1 ILE E 138 17.784 61.373 21.118 1.00 18.47 C ATOM 868 CG2 ILE E 138 16.629 63.030 19.556 1.00 18.47 C ATOM 869 CD1 ILE E 138 18.609 62.528 21.686 1.00 18.47 C ATOM 870 N SER E 139 14.991 60.756 17.239 1.00 24.00 N ATOM 871 CA SER E 139 14.731 60.620 15.790 1.00 24.00 C ATOM 872 C SER E 139 14.162 61.900 15.205 1.00 24.00 C ATOM 873 O SER E 139 13.608 62.732 15.970 1.00 24.00 O ATOM 874 CB SER E 139 13.841 59.408 15.497 1.00 24.00 C ATOM 875 OG SER E 139 12.665 59.454 16.326 1.00 25.16 O ATOM 876 N GLY E 140 14.347 62.118 13.924 1.00 16.24 N ATOM 877 CA GLY E 140 13.760 63.337 13.302 1.00 16.24 C ATOM 878 C GLY E 140 14.195 63.531 11.851 1.00 16.24 C ATOM 879 O GLY E 140 15.156 62.864 11.430 1.00 16.24 O ATOM 880 N TRP E 141 13.561 64.458 11.154 1.00 16.60 N ATOM 881 CA TRP E 141 13.877 64.888 9.777 1.00 16.60 C ATOM 882 C TRP E 141 14.623 66.210 9.686 1.00 16.60 C ATOM 883 O TRP E 141 14.473 66.949 8.685 1.00 16.60 O ATOM 884 CB TRP E 141 12.569 65.023 8.946 1.00 16.60 C ATOM 885 CG TRP E 141 12.005 63.636 8.547 1.00 18.42 C ATOM 886 CD1 TRP E 141 12.389 62.794 7.563 1.00 18.42 C ATOM 887 CD2 TRP E 141 10.921 63.010 9.168 1.00 18.42 C ATOM 888 NE1 TRP E 141 11.616 61.631 7.598 1.00 18.42 N ATOM 889 CE2 TRP E 141 10.751 61.762 8.542 1.00 18.42 C ATOM 890 CE3 TRP E 141 10.091 63.445 10.209 1.00 18.42 C ATOM 891 CZ2 TRP E 141 9.738 60.885 8.916 1.00 18.42 C ATOM 892 CZ3 TRP E 141 9.079 62.564 10.587 1.00 18.42 C ATOM 893 CH2 TRP E 141 8.896 61.313 9.969 1.00 18.42 C ATOM 894 N GLY E 142 15.270 66.613 10.739 1.00 22.05 N ATOM 895 CA GLY E 142 15.894 67.930 10.788 1.00 22.05 C ATOM 896 C GLY E 142 17.319 67.922 10.230 1.00 22.05 C ATOM 897 O GLY E 142 17.767 66.922 9.605 1.00 22.05 O ATOM 898 N ASN E 143 17.942 69.064 10.315 1.00 20.11 N ATOM 899 CA ASN E 143 19.260 69.315 9.710 1.00 20.11 C ATOM 900 C ASN E 143 20.338 68.304 10.114 1.00 20.11 C ATOM 901 O ASN E 143 20.417 67.860 11.300 1.00 20.11 O ATOM 902 CB ASN E 143 19.686 70.755 10.044 1.00 20.11 C ATOM 903 CG ASN E 143 20.790 71.271 9.125 1.00 14.37 C ATOM 904 OD1 ASN E 143 21.396 70.501 8.330 1.00 14.37 O ATOM 905 ND2 ASN E 143 21.150 72.502 9.417 1.00 14.37 N ATOM 906 N THR E 144 21.102 67.860 9.127 1.00 24.24 N ATOM 907 CA THR E 144 22.120 66.840 9.407 1.00 24.24 C ATOM 908 C THR E 144 23.558 67.351 9.430 1.00 24.24 C ATOM 909 O THR E 144 24.512 66.547 9.626 1.00 24.24 O ATOM 910 CB THR E 144 21.987 65.650 8.483 1.00 24.24 C ATOM 911 OG1 THR E 144 22.320 66.010 7.139 1.00 19.11 O ATOM 912 CG2 THR E 144 20.595 64.990 8.572 1.00 19.11 C ATOM 913 N LYS E 145 23.669 68.662 9.268 1.00 25.84 N ATOM 914 CA LYS E 145 24.964 69.371 9.291 1.00 25.84 C ATOM 915 C LYS E 145 25.102 70.248 10.517 1.00 25.84 C ATOM 916 O LYS E 145 24.200 71.081 10.763 1.00 25.84 O ATOM 917 CB LYS E 145 25.094 70.339 8.095 1.00 25.84 C ATOM 918 CG LYS E 145 25.251 69.614 6.748 1.00 28.76 C ATOM 919 CD LYS E 145 26.142 68.373 6.844 1.00 28.76 C ATOM 920 CE LYS E 145 26.502 67.820 5.456 0.00 0.00 C ATOM 921 NZ LYS E 145 27.322 66.613 5.608 0.00 0.00 N ATOM 922 N SER E 146 26.215 70.204 11.178 1.00 34.84 N ATOM 923 CA SER E 146 26.423 71.061 12.358 1.00 34.84 C ATOM 924 C SER E 146 26.635 72.511 11.968 1.00 34.84 C ATOM 925 O SER E 146 26.137 73.472 12.595 1.00 34.84 O ATOM 926 CB SER E 146 27.681 70.594 13.121 1.00 34.84 C ATOM 927 OG SER E 146 27.397 69.306 13.651 0.00 0.00 O ATOM 928 N SER E 147 27.395 72.671 10.949 1.00 41.68 N ATOM 929 CA SER E 147 27.545 73.973 10.353 1.00 41.68 C ATOM 930 C SER E 147 27.306 73.649 8.907 1.00 41.68 C ATOM 931 O SER E 147 27.616 72.474 8.546 1.00 41.68 O ATOM 932 CB SER E 147 28.975 74.523 10.510 1.00 41.68 C ATOM 933 OG SER E 147 29.247 74.741 11.900 0.00 0.00 O ATOM 934 N GLY E 148 26.399 74.429 8.365 1.00 43.71 N ATOM 935 CA GLY E 148 25.774 74.121 7.077 1.00 43.71 C ATOM 936 C GLY E 148 24.363 73.557 7.190 1.00 43.71 C ATOM 937 O GLY E 148 23.675 73.736 8.224 1.00 43.71 O ATOM 938 N THR E 149 23.868 73.151 6.050 1.00 37.93 N ATOM 939 CA THR E 149 22.477 72.764 5.876 1.00 37.93 C ATOM 940 C THR E 149 22.300 71.544 4.984 1.00 37.93 C ATOM 941 O THR E 149 22.606 71.603 3.767 1.00 37.93 O ATOM 942 CB THR E 149 21.722 73.945 5.267 1.00 37.93 C ATOM 943 OG1 THR E 149 21.976 75.075 6.106 1.00 38.74 O ATOM 944 CG2 THR E 149 20.208 73.673 5.220 1.00 38.74 C ATOM 945 N SER E 150 21.718 70.525 5.549 1.00 28.50 N ATOM 946 CA SER E 150 21.359 69.361 4.774 1.00 28.50 C ATOM 947 C SER E 150 20.174 68.611 5.370 1.00 28.50 C ATOM 948 O SER E 150 20.305 68.040 6.470 1.00 28.50 O ATOM 949 CB SER E 150 22.578 68.451 4.768 1.00 28.50 C ATOM 950 OG SER E 150 22.350 67.527 3.717 1.00 43.36 O ATOM 951 N TYR E 151 19.011 68.757 4.793 1.00 34.18 N ATOM 952 CA TYR E 151 17.813 68.157 5.345 1.00 34.18 C ATOM 953 C TYR E 151 17.512 66.852 4.625 1.00 34.18 C ATOM 954 O TYR E 151 17.783 66.713 3.403 1.00 34.18 O ATOM 955 CB TYR E 151 16.619 69.116 5.196 1.00 34.18 C ATOM 956 CG TYR E 151 16.706 70.364 6.082 1.00 32.33 C ATOM 957 CD1 TYR E 151 16.264 70.274 7.379 1.00 32.33 C ATOM 958 CD2 TYR E 151 17.226 71.555 5.610 1.00 32.33 C ATOM 959 CE1 TYR E 151 16.374 71.366 8.234 1.00 32.33 C ATOM 960 CE2 TYR E 151 17.343 72.646 6.458 1.00 32.33 C ATOM 961 CZ TYR E 151 16.932 72.540 7.785 1.00 32.33 C ATOM 962 OH TYR E 151 17.158 73.618 8.733 1.00 32.33 O ATOM 963 N PRO E 152 17.364 65.808 5.364 1.00 23.36 N ATOM 964 CA PRO E 152 17.275 64.478 4.728 1.00 23.36 C ATOM 965 C PRO E 152 15.863 64.162 4.193 1.00 23.36 C ATOM 966 O PRO E 152 14.852 64.723 4.667 1.00 23.36 O ATOM 967 CB PRO E 152 17.513 63.514 5.885 1.00 23.36 C ATOM 968 CG PRO E 152 17.236 64.312 7.192 1.00 12.48 C ATOM 969 CD PRO E 152 17.274 65.801 6.815 1.00 12.48 C ATOM 970 N ASP E 153 15.736 63.132 3.411 1.00 32.27 N ATOM 971 CA ASP E 153 14.464 62.633 2.870 1.00 32.27 C ATOM 972 C ASP E 153 13.799 61.646 3.816 1.00 32.27 C ATOM 973 O ASP E 153 12.586 61.786 4.127 1.00 32.27 O ATOM 974 CB ASP E 153 14.777 61.870 1.576 1.00 32.27 C ATOM 975 CG ASP E 153 15.210 62.892 0.543 1.00 52.87 C ATOM 976 OD1 ASP E 153 14.725 64.049 0.625 1.00 52.87 O ATOM 977 OD2 ASP E 153 15.750 62.517 -0.531 1.00 52.87 O ATOM 978 N VAL E 154 14.637 60.731 4.274 1.00 26.50 N ATOM 979 CA VAL E 154 14.295 59.686 5.223 1.00 26.50 C ATOM 980 C VAL E 154 14.609 60.024 6.675 1.00 26.50 C ATOM 981 O VAL E 154 15.336 61.005 6.939 1.00 26.50 O ATOM 982 CB VAL E 154 14.950 58.368 4.798 1.00 26.50 C ATOM 983 CG1 VAL E 154 14.586 58.115 3.334 1.00 24.67 C ATOM 984 CG2 VAL E 154 16.468 58.355 5.047 1.00 24.67 C ATOM 985 N LEU E 155 13.986 59.299 7.579 1.00 19.98 N ATOM 986 CA LEU E 155 14.113 59.552 9.003 1.00 19.98 C ATOM 987 C LEU E 155 15.490 59.125 9.577 1.00 19.98 C ATOM 988 O LEU E 155 16.086 58.042 9.304 1.00 19.98 O ATOM 989 CB LEU E 155 12.920 58.809 9.652 1.00 19.98 C ATOM 990 CG LEU E 155 12.746 59.046 11.171 1.00 17.94 C ATOM 991 CD1 LEU E 155 12.365 60.489 11.545 1.00 17.94 C ATOM 992 CD2 LEU E 155 11.859 57.974 11.821 1.00 17.94 C ATOM 993 N LYS E 156 16.024 60.019 10.364 1.00 26.98 N ATOM 994 CA LYS E 156 17.309 59.848 11.045 1.00 26.98 C ATOM 995 C LYS E 156 17.249 59.621 12.550 1.00 26.98 C ATOM 996 O LYS E 156 16.254 60.066 13.167 1.00 26.98 O ATOM 997 CB LYS E 156 18.214 61.019 10.662 1.00 26.98 C ATOM 998 CG LYS E 156 18.949 60.521 9.417 1.00 33.12 C ATOM 999 CD LYS E 156 19.595 61.618 8.605 1.00 33.12 C ATOM 1000 CE LYS E 156 20.590 60.924 7.646 1.00 33.12 C ATOM 1001 NZ LYS E 156 19.961 59.772 6.935 1.00 33.12 N ATOM 1002 N CYS E 157 18.114 58.722 13.038 1.00 27.28 N ATOM 1003 CA CYS E 157 18.139 58.167 14.420 1.00 27.28 C ATOM 1004 C CYS E 157 19.492 58.346 15.094 1.00 27.28 C ATOM 1005 O CYS E 157 20.512 58.560 14.408 1.00 27.28 O ATOM 1006 CB CYS E 157 17.792 56.675 14.459 1.00 27.28 C ATOM 1007 SG CYS E 157 16.042 56.246 14.265 1.00 24.98 S ATOM 1008 N LEU E 158 19.474 58.486 16.391 1.00 17.95 N ATOM 1009 CA LEU E 158 20.677 58.747 17.214 1.00 17.95 C ATOM 1010 C LEU E 158 20.500 58.184 18.608 1.00 17.95 C ATOM 1011 O LEU E 158 19.452 58.451 19.239 1.00 17.95 O ATOM 1012 CB LEU E 158 20.902 60.253 17.362 1.00 17.95 C ATOM 1013 CG LEU E 158 22.260 60.668 17.982 1.00 22.51 C ATOM 1014 CD1 LEU E 158 23.516 60.329 17.111 1.00 22.51 C ATOM 1015 CD2 LEU E 158 22.211 62.149 18.412 1.00 22.51 C ATOM 1016 N LYS E 159 21.455 57.394 19.045 1.00 22.76 N ATOM 1017 CA LYS E 159 21.502 56.950 20.455 1.00 22.76 C ATOM 1018 C LYS E 159 22.392 57.879 21.257 1.00 22.76 C ATOM 1019 O LYS E 159 23.430 58.304 20.714 1.00 22.76 O ATOM 1020 CB LYS E 159 22.004 55.511 20.584 1.00 22.76 C ATOM 1021 CG LYS E 159 21.118 54.671 19.650 1.00 39.41 C ATOM 1022 CD LYS E 159 21.503 53.198 19.605 1.00 39.41 C ATOM 1023 CE LYS E 159 20.572 52.413 18.667 1.00 39.41 C ATOM 1024 NZ LYS E 159 20.956 50.997 18.620 0.00 0.00 N ATOM 1025 N ALA E 160 21.814 58.502 22.228 1.00 24.33 N ATOM 1026 CA ALA E 160 22.469 59.552 23.005 1.00 24.33 C ATOM 1027 C ALA E 160 22.016 59.350 24.431 1.00 24.33 C ATOM 1028 O ALA E 160 20.985 58.639 24.630 1.00 24.33 O ATOM 1029 CB ALA E 160 21.993 60.949 22.633 1.00 24.33 C ATOM 1030 N PRO E 161 22.920 59.535 25.354 1.00 24.67 N ATOM 1031 CA PRO E 161 22.580 59.169 26.729 1.00 24.67 C ATOM 1032 C PRO E 161 22.015 60.416 27.412 1.00 24.67 C ATOM 1033 O PRO E 161 22.410 61.575 27.075 1.00 24.67 O ATOM 1034 CB PRO E 161 23.944 58.851 27.369 1.00 24.67 C ATOM 1035 CG PRO E 161 24.989 59.706 26.573 1.00 19.48 C ATOM 1036 CD PRO E 161 24.347 59.910 25.176 1.00 19.48 C ATOM 1037 N ILE E 162 21.297 60.187 28.458 1.00 24.19 N ATOM 1038 CA ILE E 162 20.821 61.275 29.336 1.00 24.19 C ATOM 1039 C ILE E 162 21.958 61.801 30.215 1.00 24.19 C ATOM 1040 O ILE E 162 22.718 61.004 30.812 1.00 24.19 O ATOM 1041 CB ILE E 162 19.626 60.737 30.187 1.00 24.19 C ATOM 1042 CG1 ILE E 162 18.442 60.366 29.240 1.00 21.18 C ATOM 1043 CG2 ILE E 162 19.182 61.712 31.296 1.00 21.18 C ATOM 1044 CD1 ILE E 162 17.101 60.078 29.969 1.00 21.18 C ATOM 1045 N LEU E 163 22.158 63.094 30.187 1.00 31.82 N ATOM 1046 CA LEU E 163 23.219 63.779 30.951 1.00 31.82 C ATOM 1047 C LEU E 163 22.732 64.156 32.328 1.00 31.82 C ATOM 1048 O LEU E 163 21.512 64.160 32.600 1.00 31.82 O ATOM 1049 CB LEU E 163 23.809 65.074 30.311 1.00 31.82 C ATOM 1050 CG LEU E 163 24.458 64.900 28.907 1.00 27.84 C ATOM 1051 CD1 LEU E 163 25.254 66.155 28.552 1.00 27.84 C ATOM 1052 CD2 LEU E 163 25.335 63.651 28.743 1.00 27.84 C ATOM 1053 N SER E 164 23.685 64.400 33.165 1.00 30.01 N ATOM 1054 CA SER E 164 23.406 64.688 34.538 1.00 30.01 C ATOM 1055 C SER E 164 22.983 66.145 34.718 1.00 30.01 C ATOM 1056 O SER E 164 23.472 67.089 34.037 1.00 30.01 O ATOM 1057 CB SER E 164 24.640 64.333 35.405 1.00 30.01 C ATOM 1058 OG SER E 164 25.553 65.434 35.387 1.00 25.21 O ATOM 1059 N ASP E 165 22.049 66.334 35.589 1.00 32.20 N ATOM 1060 CA ASP E 165 21.576 67.695 35.828 1.00 32.20 C ATOM 1061 C ASP E 165 22.707 68.687 36.079 1.00 32.20 C ATOM 1062 O ASP E 165 22.606 69.896 35.750 1.00 32.20 O ATOM 1063 CB ASP E 165 20.630 67.650 37.041 1.00 32.20 C ATOM 1064 CG ASP E 165 20.407 69.029 37.648 1.00 33.43 C ATOM 1065 OD1 ASP E 165 19.209 69.385 37.779 0.00 0.00 O ATOM 1066 OD2 ASP E 165 21.328 69.346 38.539 0.00 0.00 O ATOM 1067 N SER E 166 23.744 68.190 36.666 1.00 27.79 N ATOM 1068 CA SER E 166 24.819 69.088 37.075 1.00 27.79 C ATOM 1069 C SER E 166 25.626 69.554 35.895 1.00 27.79 C ATOM 1070 O SER E 166 25.794 70.780 35.720 1.00 27.79 O ATOM 1071 CB SER E 166 25.750 68.384 38.056 1.00 27.79 C ATOM 1072 OG SER E 166 24.969 67.826 39.130 1.00 52.52 O ATOM 1073 N SER E 167 25.895 68.613 35.035 1.00 30.90 N ATOM 1074 CA SER E 167 26.574 68.942 33.777 1.00 30.90 C ATOM 1075 C SER E 167 25.694 69.742 32.808 1.00 30.90 C ATOM 1076 O SER E 167 26.181 70.693 32.138 1.00 30.90 O ATOM 1077 CB SER E 167 27.091 67.648 33.118 1.00 30.90 C ATOM 1078 OG SER E 167 26.017 66.731 32.798 1.00 34.61 O ATOM 1079 N CYS E 168 24.399 69.508 32.853 1.00 23.90 N ATOM 1080 CA CYS E 168 23.478 70.313 32.057 1.00 23.90 C ATOM 1081 C CYS E 168 23.486 71.784 32.496 1.00 23.90 C ATOM 1082 O CYS E 168 23.473 72.725 31.670 1.00 23.90 O ATOM 1083 CB CYS E 168 22.065 69.695 32.185 1.00 23.90 C ATOM 1084 SG CYS E 168 20.844 70.220 30.947 1.00 25.31 S ATOM 1085 N LYS E 169 23.501 71.973 33.776 1.00 26.35 N ATOM 1086 CA LYS E 169 23.491 73.334 34.339 1.00 26.35 C ATOM 1087 C LYS E 169 24.844 74.041 34.206 1.00 26.35 C ATOM 1088 O LYS E 169 24.895 75.276 33.946 1.00 26.35 O ATOM 1089 CB LYS E 169 23.022 73.293 35.813 1.00 26.35 C ATOM 1090 CG LYS E 169 21.560 72.829 35.985 1.00 32.99 C ATOM 1091 CD LYS E 169 21.081 72.760 37.455 1.00 32.99 C ATOM 1092 CE LYS E 169 19.581 72.383 37.575 1.00 32.99 C ATOM 1093 NZ LYS E 169 19.244 72.054 38.964 0.00 0.00 N ATOM 1094 N SER E 170 25.892 73.239 34.078 1.00 26.98 N ATOM 1095 CA SER E 170 27.185 73.802 33.672 1.00 26.98 C ATOM 1096 C SER E 170 27.259 74.187 32.195 1.00 26.98 C ATOM 1097 O SER E 170 27.812 75.274 31.869 1.00 26.98 O ATOM 1098 CB SER E 170 28.363 72.863 34.013 1.00 26.98 C ATOM 1099 OG SER E 170 28.382 72.748 35.446 0.50 34.64 O ATOM 1100 N ALA E 171 26.672 73.327 31.355 1.00 21.07 N ATOM 1101 CA ALA E 171 26.608 73.686 29.948 1.00 21.07 C ATOM 1102 C ALA E 171 25.746 74.911 29.715 1.00 21.07 C ATOM 1103 O ALA E 171 26.170 75.821 28.970 1.00 21.07 O ATOM 1104 CB ALA E 171 26.252 72.506 29.018 1.00 21.07 C ATOM 1105 N TYR E 172 24.648 75.064 30.448 1.00 22.48 N ATOM 1106 CA TYR E 172 23.838 76.284 30.226 1.00 22.48 C ATOM 1107 C TYR E 172 23.451 76.990 31.505 1.00 22.48 C ATOM 1108 O TYR E 172 22.354 76.706 32.044 1.00 22.48 O ATOM 1109 CB TYR E 172 22.521 75.977 29.467 1.00 22.48 C ATOM 1110 CG TYR E 172 22.716 75.248 28.108 1.00 20.78 C ATOM 1111 CD1 TYR E 172 22.729 73.870 28.045 1.00 20.78 C ATOM 1112 CD2 TYR E 172 22.861 75.980 26.943 1.00 20.78 C ATOM 1113 CE1 TYR E 172 22.888 73.217 26.813 1.00 20.78 C ATOM 1114 CE2 TYR E 172 22.997 75.338 25.703 1.00 20.78 C ATOM 1115 CZ TYR E 172 23.002 73.965 25.632 1.00 20.78 C ATOM 1116 OH TYR E 172 23.171 73.306 24.329 1.00 20.78 O ATOM 1117 N PRO E 173 24.365 77.712 32.084 1.00 28.94 N ATOM 1118 CA PRO E 173 24.132 78.336 33.377 1.00 28.94 C ATOM 1119 C PRO E 173 22.909 79.230 33.445 1.00 28.94 C ATOM 1120 O PRO E 173 22.703 80.160 32.628 1.00 28.94 O ATOM 1121 CB PRO E 173 25.391 79.147 33.715 1.00 28.94 C ATOM 1122 CG PRO E 173 26.427 78.793 32.652 1.00 30.60 C ATOM 1123 CD PRO E 173 25.741 77.867 31.649 1.00 30.60 C ATOM 1124 N GLY E 174 22.121 78.950 34.428 1.00 33.39 N ATOM 1125 CA GLY E 174 20.944 79.773 34.711 1.00 33.39 C ATOM 1126 C GLY E 174 19.743 79.552 33.792 1.00 33.39 C ATOM 1127 O GLY E 174 18.887 80.468 33.696 1.00 33.39 O ATOM 1128 N GLN E 175 19.782 78.480 33.031 1.00 33.80 N ATOM 1129 CA GLN E 175 18.794 78.260 31.986 1.00 33.80 C ATOM 1130 C GLN E 175 18.122 76.891 32.052 1.00 33.80 C ATOM 1131 O GLN E 175 17.232 76.576 31.212 1.00 33.80 O ATOM 1132 CB GLN E 175 19.472 78.430 30.604 1.00 33.80 C ATOM 1133 CG GLN E 175 19.864 79.879 30.281 1.00 44.49 C ATOM 1134 CD GLN E 175 20.935 79.796 29.201 1.00 44.49 C ATOM 1135 OE1 GLN E 175 22.137 80.031 29.476 1.00 44.49 O ATOM 1136 NE2 GLN E 175 20.548 79.298 28.054 1.00 44.49 N ATOM 1137 N ILE E 176 18.553 76.055 32.962 1.00 33.01 N ATOM 1138 CA ILE E 176 17.862 74.756 33.005 1.00 33.01 C ATOM 1139 C ILE E 176 16.879 74.752 34.168 1.00 33.01 C ATOM 1140 O ILE E 176 17.203 75.342 35.227 1.00 33.01 O ATOM 1141 CB ILE E 176 18.890 73.608 33.097 1.00 33.01 C ATOM 1142 CG1 ILE E 176 19.939 73.647 31.956 1.00 18.36 C ATOM 1143 CG2 ILE E 176 18.344 72.209 33.460 1.00 18.36 C ATOM 1144 CD1 ILE E 176 19.328 73.802 30.540 1.00 18.36 C ATOM 1145 N THR E 177 15.658 74.329 33.909 1.00 17.79 N ATOM 1146 CA THR E 177 14.637 74.280 34.953 1.00 17.79 C ATOM 1147 C THR E 177 14.469 72.816 35.253 1.00 17.79 C ATOM 1148 O THR E 177 15.179 71.994 34.616 1.00 17.79 O ATOM 1149 CB THR E 177 13.304 74.815 34.416 1.00 17.79 C ATOM 1150 OG1 THR E 177 12.710 73.895 33.461 1.00 16.48 O ATOM 1151 CG2 THR E 177 13.517 76.184 33.763 1.00 16.48 C ATOM 1152 N SER E 178 13.574 72.541 36.162 1.00 28.04 N ATOM 1153 CA SER E 178 13.383 71.166 36.629 1.00 28.04 C ATOM 1154 C SER E 178 12.617 70.309 35.627 1.00 28.04 C ATOM 1155 O SER E 178 12.542 69.068 35.761 1.00 28.04 O ATOM 1156 CB SER E 178 12.663 71.225 37.983 1.00 28.04 C ATOM 1157 OG SER E 178 11.653 72.217 37.886 1.00 36.44 O ATOM 1158 N ASN E 179 12.126 70.989 34.616 1.00 28.25 N ATOM 1159 CA ASN E 179 11.399 70.360 33.504 1.00 28.25 C ATOM 1160 C ASN E 179 12.259 70.194 32.255 1.00 28.25 C ATOM 1161 O ASN E 179 11.731 69.777 31.186 1.00 28.25 O ATOM 1162 CB ASN E 179 10.240 71.267 33.140 1.00 28.25 C ATOM 1163 CG ASN E 179 9.348 71.347 34.365 1.00 24.20 C ATOM 1164 OD1 ASN E 179 8.885 70.284 34.846 1.00 24.20 O ATOM 1165 ND2 ASN E 179 8.952 72.556 34.666 1.00 24.20 N ATOM 1166 N MET E 180 13.558 70.400 32.422 1.00 28.92 N ATOM 1167 CA MET E 180 14.504 70.142 31.302 1.00 28.92 C ATOM 1168 C MET E 180 15.456 68.993 31.575 1.00 28.92 C ATOM 1169 O MET E 180 15.944 68.868 32.724 1.00 28.92 O ATOM 1170 CB MET E 180 15.300 71.423 30.943 1.00 28.92 C ATOM 1171 CG MET E 180 14.344 72.560 30.508 1.00 14.04 C ATOM 1172 SD MET E 180 15.082 74.169 30.325 1.00 14.04 S ATOM 1173 CE MET E 180 13.609 75.178 30.234 1.00 14.04 C ATOM 1174 N PHE E 181 15.942 68.364 30.523 1.00 22.03 N ATOM 1175 CA PHE E 181 17.198 67.641 30.692 1.00 22.03 C ATOM 1176 C PHE E 181 18.124 67.795 29.498 1.00 22.03 C ATOM 1177 O PHE E 181 17.655 68.410 28.519 1.00 22.03 O ATOM 1178 CB PHE E 181 16.989 66.182 31.091 1.00 22.03 C ATOM 1179 CG PHE E 181 16.311 65.338 30.015 1.00 25.21 C ATOM 1180 CD1 PHE E 181 17.062 64.483 29.246 1.00 25.21 C ATOM 1181 CD2 PHE E 181 14.939 65.407 29.856 1.00 25.21 C ATOM 1182 CE1 PHE E 181 16.442 63.692 28.302 1.00 25.21 C ATOM 1183 CE2 PHE E 181 14.315 64.607 28.920 1.00 25.21 C ATOM 1184 CZ PHE E 181 15.064 63.749 28.144 1.00 25.21 C ATOM 1185 N CYS E 182 19.359 67.303 29.589 1.00 15.69 N ATOM 1186 CA CYS E 182 20.383 67.323 28.522 1.00 15.69 C ATOM 1187 C CYS E 182 20.738 65.893 28.171 1.00 15.69 C ATOM 1188 O CYS E 182 20.625 64.997 29.045 1.00 15.69 O ATOM 1189 CB CYS E 182 21.710 67.990 28.953 1.00 15.69 C ATOM 1190 SG CYS E 182 21.714 69.801 29.141 1.00 27.12 S ATOM 1191 N ALA E 183 20.911 65.685 26.896 1.00 17.51 N ATOM 1192 CA ALA E 183 21.302 64.398 26.309 1.00 17.51 C ATOM 1193 C ALA E 183 22.275 64.676 25.185 1.00 17.51 C ATOM 1194 O ALA E 183 22.164 65.725 24.515 1.00 17.51 O ATOM 1195 CB ALA E 183 20.137 63.543 25.744 1.00 17.51 C ATOM 1196 N GLY E 184A 23.158 63.752 24.989 1.00 24.72 N ATOM 1197 CA GLY E 184A 24.168 63.877 23.943 1.00 24.72 C ATOM 1198 C GLY E 184A 25.592 63.729 24.490 1.00 24.72 C ATOM 1199 O GLY E 184A 25.838 62.796 25.300 1.00 24.72 O ATOM 1200 N TYR E 184 26.508 64.370 23.774 1.00 23.68 N ATOM 1201 CA TYR E 184 27.968 64.131 23.858 1.00 23.68 C ATOM 1202 C TYR E 184 28.737 65.437 23.985 1.00 23.68 C ATOM 1203 O TYR E 184 28.487 66.386 23.204 1.00 23.68 O ATOM 1204 CB TYR E 184 28.483 63.417 22.608 1.00 23.68 C ATOM 1205 CG TYR E 184 27.841 62.040 22.423 1.00 24.68 C ATOM 1206 CD1 TYR E 184 26.638 61.944 21.746 1.00 24.68 C ATOM 1207 CD2 TYR E 184 28.422 60.916 22.958 1.00 24.68 C ATOM 1208 CE1 TYR E 184 25.983 60.737 21.626 1.00 24.68 C ATOM 1209 CE2 TYR E 184 27.771 59.683 22.827 1.00 24.68 C ATOM 1210 CZ TYR E 184 26.538 59.602 22.171 1.00 24.68 C ATOM 1211 OH TYR E 184 25.823 58.335 22.045 1.00 24.68 O ATOM 1212 N LEU E 185 29.458 65.592 25.082 1.00 21.07 N ATOM 1213 CA LEU E 185 30.065 66.883 25.381 1.00 21.07 C ATOM 1214 C LEU E 185 31.154 67.125 24.362 1.00 21.07 C ATOM 1215 O LEU E 185 31.455 68.310 24.076 1.00 21.07 O ATOM 1216 CB LEU E 185 30.682 66.934 26.789 1.00 21.07 C ATOM 1217 CG LEU E 185 29.673 67.142 27.956 1.00 31.53 C ATOM 1218 CD1 LEU E 185 28.846 68.446 27.840 1.00 31.53 C ATOM 1219 CD2 LEU E 185 28.795 65.916 28.222 1.00 31.53 C ATOM 1220 N GLU E 186 31.502 66.085 23.647 1.00 31.07 N ATOM 1221 CA GLU E 186 32.436 66.387 22.565 1.00 31.07 C ATOM 1222 C GLU E 186 31.832 66.934 21.266 1.00 31.07 C ATOM 1223 O GLU E 186 32.568 67.542 20.455 1.00 31.07 O ATOM 1224 CB GLU E 186 33.455 65.275 22.322 1.00 31.07 C ATOM 1225 CG GLU E 186 32.842 64.077 21.581 1.00 45.48 C ATOM 1226 CD GLU E 186 33.992 63.158 21.192 1.00 45.48 C ATOM 1227 OE1 GLU E 186 34.609 62.522 22.083 0.00 0.00 O ATOM 1228 OE2 GLU E 186 34.373 63.241 19.933 0.00 0.00 O ATOM 1229 N GLY E 187 30.532 66.853 21.092 1.00 26.07 N ATOM 1230 CA GLY E 187 29.941 67.361 19.844 1.00 26.07 C ATOM 1231 C GLY E 187 29.817 66.330 18.729 1.00 26.07 C ATOM 1232 O GLY E 187 30.173 65.150 18.958 1.00 26.07 O ATOM 1233 N GLY E 188A 29.291 66.738 17.586 1.00 23.20 N ATOM 1234 CA GLY E 188A 29.112 65.866 16.412 1.00 23.20 C ATOM 1235 C GLY E 188A 27.822 65.057 16.305 1.00 23.20 C ATOM 1236 O GLY E 188A 27.489 64.551 15.205 1.00 23.20 O ATOM 1237 N LYS E 188 27.185 64.795 17.405 1.00 26.35 N ATOM 1238 CA LYS E 188 25.937 64.019 17.482 1.00 26.35 C ATOM 1239 C LYS E 188 24.905 64.809 18.264 1.00 26.35 C ATOM 1240 O LYS E 188 25.188 65.143 19.441 1.00 26.35 O ATOM 1241 CB LYS E 188 26.179 62.729 18.293 1.00 26.35 C ATOM 1242 CG LYS E 188 27.263 61.901 17.622 1.00 25.91 C ATOM 1243 CD LYS E 188 27.378 60.515 18.242 1.00 25.91 C ATOM 1244 CE LYS E 188 28.169 59.598 17.304 1.00 25.91 C ATOM 1245 NZ LYS E 188 28.172 58.230 17.834 0.00 0.00 N ATOM 1246 N ASP E 189 23.814 65.196 17.626 1.00 24.74 N ATOM 1247 CA ASP E 189 22.785 66.016 18.305 1.00 24.74 C ATOM 1248 C ASP E 189 21.501 66.073 17.467 1.00 24.74 C ATOM 1249 O ASP E 189 21.497 65.769 16.248 1.00 24.74 O ATOM 1250 CB ASP E 189 23.351 67.437 18.441 1.00 24.74 C ATOM 1251 CG ASP E 189 22.757 68.227 19.606 1.00 23.47 C ATOM 1252 OD1 ASP E 189 23.089 69.429 19.800 1.00 23.47 O ATOM 1253 OD2 ASP E 189 21.821 67.736 20.287 1.00 23.47 O ATOM 1254 N SER E 190 20.500 66.677 18.033 1.00 24.40 N ATOM 1255 CA SER E 190 19.322 67.032 17.273 1.00 24.40 C ATOM 1256 C SER E 190 19.431 68.485 16.810 1.00 24.40 C ATOM 1257 O SER E 190 20.298 69.247 17.292 1.00 24.40 O ATOM 1258 CB SER E 190 18.091 66.823 18.180 1.00 24.40 C ATOM 1259 OG SER E 190 18.211 67.627 19.347 1.00 15.42 O ATOM 1260 N CYS E 191 18.733 68.856 15.781 1.00 24.54 N ATOM 1261 CA CYS E 191 18.968 70.189 15.208 1.00 24.54 C ATOM 1262 C CYS E 191 17.658 70.744 14.658 1.00 24.54 C ATOM 1263 O CYS E 191 16.705 69.925 14.682 1.00 24.54 O ATOM 1264 CB CYS E 191 20.018 69.960 14.073 1.00 24.54 C ATOM 1265 SG CYS E 191 20.906 71.431 13.539 1.00 20.85 S ATOM 1266 N GLN E 192 17.647 71.989 14.081 1.00 19.04 N ATOM 1267 CA GLN E 192 16.472 72.578 13.430 1.00 19.04 C ATOM 1268 C GLN E 192 15.707 71.615 12.505 1.00 19.04 C ATOM 1269 O GLN E 192 16.343 70.818 11.781 1.00 19.04 O ATOM 1270 CB GLN E 192 16.928 73.795 12.626 1.00 19.04 C ATOM 1271 CG GLN E 192 17.076 75.036 13.503 1.00 21.89 C ATOM 1272 CD GLN E 192 18.232 74.860 14.469 1.00 21.89 C ATOM 1273 OE1 GLN E 192 19.352 74.528 14.022 1.00 21.89 O ATOM 1274 NE2 GLN E 192 18.048 75.495 15.592 1.00 21.89 N ATOM 1275 N GLY E 193 14.424 71.447 12.775 1.00 18.28 N ATOM 1276 CA GLY E 193 13.621 70.387 12.153 1.00 18.28 C ATOM 1277 C GLY E 193 13.146 69.280 13.100 1.00 18.28 C ATOM 1278 O GLY E 193 12.235 68.465 12.728 1.00 18.28 O ATOM 1279 N ASP E 194 13.955 69.113 14.157 1.00 13.77 N ATOM 1280 CA ASP E 194 13.835 67.977 15.088 1.00 13.77 C ATOM 1281 C ASP E 194 12.856 68.229 16.221 1.00 13.77 C ATOM 1282 O ASP E 194 12.274 67.223 16.714 1.00 13.77 O ATOM 1283 CB ASP E 194 15.190 67.495 15.684 1.00 13.77 C ATOM 1284 CG ASP E 194 15.952 66.670 14.637 1.00 20.96 C ATOM 1285 OD1 ASP E 194 17.168 66.901 14.433 1.00 20.96 O ATOM 1286 OD2 ASP E 194 15.297 66.100 13.730 1.00 20.96 O ATOM 1287 N SER E 195 12.612 69.519 16.499 1.00 14.81 N ATOM 1288 CA SER E 195 11.673 69.958 17.575 1.00 14.81 C ATOM 1289 C SER E 195 10.358 69.209 17.650 1.00 14.81 C ATOM 1290 O SER E 195 9.746 68.980 16.600 1.00 14.81 O ATOM 1291 CB SER E 195 11.303 71.422 17.492 1.00 14.81 C ATOM 1292 OG SER E 195 12.340 72.168 18.119 1.00 9.54 O ATOM 1293 N GLY E 196 9.948 68.836 18.829 1.00 16.13 N ATOM 1294 CA GLY E 196 8.683 68.130 19.041 1.00 16.13 C ATOM 1295 C GLY E 196 8.809 66.619 19.031 1.00 16.13 C ATOM 1296 O GLY E 196 7.913 65.948 19.565 1.00 16.13 O ATOM 1297 N GLY E 197 9.838 66.114 18.364 1.00 18.87 N ATOM 1298 CA GLY E 197 10.093 64.682 18.280 1.00 18.87 C ATOM 1299 C GLY E 197 10.677 64.050 19.557 1.00 18.87 C ATOM 1300 O GLY E 197 10.926 64.753 20.582 1.00 18.87 O ATOM 1301 N PRO E 198 10.598 62.734 19.521 1.00 23.99 N ATOM 1302 CA PRO E 198 10.777 61.835 20.670 1.00 23.99 C ATOM 1303 C PRO E 198 12.242 61.713 21.111 1.00 23.99 C ATOM 1304 O PRO E 198 13.137 61.473 20.262 1.00 23.99 O ATOM 1305 CB PRO E 198 10.363 60.422 20.159 1.00 23.99 C ATOM 1306 CG PRO E 198 10.314 60.494 18.622 1.00 11.94 C ATOM 1307 CD PRO E 198 10.293 61.986 18.281 1.00 11.94 C ATOM 1308 N VAL E 199 12.391 61.551 22.407 1.00 18.79 N ATOM 1309 CA VAL E 199 13.519 60.893 23.056 1.00 18.79 C ATOM 1310 C VAL E 199 12.962 59.697 23.832 1.00 18.79 C ATOM 1311 O VAL E 199 12.267 59.900 24.849 1.00 18.79 O ATOM 1312 CB VAL E 199 14.193 61.906 23.970 1.00 18.79 C ATOM 1313 CG1 VAL E 199 15.476 61.345 24.677 1.00 13.49 C ATOM 1314 CG2 VAL E 199 14.508 63.182 23.141 1.00 13.49 C ATOM 1315 N VAL E 200 13.104 58.515 23.284 1.00 18.28 N ATOM 1316 CA VAL E 200 12.525 57.280 23.824 1.00 18.28 C ATOM 1317 C VAL E 200 13.567 56.347 24.463 1.00 18.28 C ATOM 1318 O VAL E 200 14.535 55.872 23.813 1.00 18.28 O ATOM 1319 CB VAL E 200 11.801 56.565 22.684 1.00 18.28 C ATOM 1320 CG1 VAL E 200 11.379 55.161 23.074 1.00 13.19 C ATOM 1321 CG2 VAL E 200 10.615 57.395 22.181 1.00 13.19 C ATOM 1322 N CYS E 201 13.431 56.162 25.741 1.00 21.37 N ATOM 1323 CA CYS E 201 14.382 55.393 26.539 1.00 21.37 C ATOM 1324 C CYS E 201 13.687 54.177 27.128 1.00 21.37 C ATOM 1325 O CYS E 201 12.752 54.332 27.954 1.00 21.37 O ATOM 1326 CB CYS E 201 14.949 56.297 27.657 1.00 21.37 C ATOM 1327 SG CYS E 201 15.294 58.025 27.192 1.00 30.59 S ATOM 1328 N SER E 202 14.098 53.028 26.674 1.00 36.57 N ATOM 1329 CA SER E 202 13.575 51.736 27.142 1.00 36.57 C ATOM 1330 C SER E 202 12.066 51.707 26.986 1.00 36.57 C ATOM 1331 O SER E 202 11.313 51.471 27.961 1.00 36.57 O ATOM 1332 CB SER E 202 13.982 51.468 28.619 1.00 36.57 C ATOM 1333 OG SER E 202 15.408 51.520 28.743 0.00 0.00 O ATOM 1334 N GLY E 203 11.674 52.057 25.790 1.00 30.76 N ATOM 1335 CA GLY E 203 10.298 51.978 25.287 1.00 30.76 C ATOM 1336 C GLY E 203 9.389 53.074 25.778 1.00 30.76 C ATOM 1337 O GLY E 203 8.150 52.974 25.617 1.00 30.76 O ATOM 1338 N LYS E 204 9.929 53.958 26.573 1.00 21.50 N ATOM 1339 CA LYS E 204 9.069 54.952 27.177 1.00 21.50 C ATOM 1340 C LYS E 204 9.469 56.334 26.720 1.00 21.50 C ATOM 1341 O LYS E 204 10.645 56.517 26.331 1.00 21.50 O ATOM 1342 CB LYS E 204 9.009 54.845 28.738 1.00 21.50 C ATOM 1343 CG LYS E 204 8.105 53.650 29.092 1.00 39.05 C ATOM 1344 CD LYS E 204 8.216 53.202 30.546 1.00 39.05 C ATOM 1345 CE LYS E 204 7.242 52.066 30.901 0.00 0.00 C ATOM 1346 NZ LYS E 204 7.395 51.719 32.319 0.00 0.00 N ATOM 1347 N LEU E 209 8.499 57.194 26.589 1.00 28.30 N ATOM 1348 CA LEU E 209 8.766 58.525 26.055 1.00 28.30 C ATOM 1349 C LEU E 209 9.281 59.454 27.156 1.00 28.30 C ATOM 1350 O LEU E 209 8.487 59.969 27.980 1.00 28.30 O ATOM 1351 CB LEU E 209 7.520 59.105 25.317 1.00 28.30 C ATOM 1352 CG LEU E 209 7.680 60.567 24.839 1.00 16.87 C ATOM 1353 CD1 LEU E 209 8.655 60.690 23.652 1.00 16.87 C ATOM 1354 CD2 LEU E 209 6.314 61.223 24.569 1.00 16.87 C ATOM 1355 N GLN E 210 10.594 59.642 27.203 1.00 18.41 N ATOM 1356 CA GLN E 210 11.208 60.500 28.222 1.00 18.41 C ATOM 1357 C GLN E 210 11.262 61.988 27.868 1.00 18.41 C ATOM 1358 O GLN E 210 11.395 62.881 28.755 1.00 18.41 O ATOM 1359 CB GLN E 210 12.591 59.938 28.677 1.00 18.41 C ATOM 1360 CG GLN E 210 12.509 58.544 29.394 1.00 23.13 C ATOM 1361 CD GLN E 210 11.656 58.630 30.671 1.00 23.13 C ATOM 1362 OE1 GLN E 210 11.449 59.725 31.253 1.00 23.13 O ATOM 1363 NE2 GLN E 210 11.440 57.510 31.282 1.00 23.13 N ATOM 1364 N GLY E 211 11.382 62.263 26.605 1.00 15.52 N ATOM 1365 CA GLY E 211 11.768 63.622 26.221 1.00 15.52 C ATOM 1366 C GLY E 211 11.083 64.128 24.957 1.00 15.52 C ATOM 1367 O GLY E 211 10.716 63.311 24.086 1.00 15.52 O ATOM 1368 N ILE E 212 11.107 65.431 24.808 1.00 23.43 N ATOM 1369 CA ILE E 212 10.710 66.111 23.580 1.00 23.43 C ATOM 1370 C ILE E 212 11.860 67.007 23.110 1.00 23.43 C ATOM 1371 O ILE E 212 12.395 67.796 23.934 1.00 23.43 O ATOM 1372 CB ILE E 212 9.387 66.909 23.764 1.00 23.43 C ATOM 1373 CG1 ILE E 212 8.201 66.028 24.227 1.00 19.33 C ATOM 1374 CG2 ILE E 212 9.010 67.738 22.523 1.00 19.33 C ATOM 1375 CD1 ILE E 212 7.026 66.859 24.819 1.00 19.33 C ATOM 1376 N VAL E 213 12.295 66.807 21.871 1.00 15.80 N ATOM 1377 CA VAL E 213 13.334 67.677 21.318 1.00 15.80 C ATOM 1378 C VAL E 213 12.961 69.153 21.417 1.00 15.80 C ATOM 1379 O VAL E 213 11.867 69.562 20.978 1.00 15.80 O ATOM 1380 CB VAL E 213 13.721 67.261 19.871 1.00 15.80 C ATOM 1381 CG1 VAL E 213 14.783 68.204 19.265 1.00 17.49 C ATOM 1382 CG2 VAL E 213 14.158 65.785 19.744 1.00 17.49 C ATOM 1383 N SER E 214 13.747 69.924 22.134 1.00 16.27 N ATOM 1384 CA SER E 214 13.406 71.329 22.399 1.00 16.27 C ATOM 1385 C SER E 214 14.352 72.447 21.893 1.00 16.27 C ATOM 1386 O SER E 214 13.935 73.394 21.166 1.00 16.27 O ATOM 1387 CB SER E 214 13.103 71.462 23.904 1.00 16.27 C ATOM 1388 OG SER E 214 12.650 72.778 24.159 1.00 12.69 O ATOM 1389 N TRP E 215 15.514 72.547 22.483 1.00 20.40 N ATOM 1390 CA TRP E 215 16.447 73.649 22.181 1.00 20.40 C ATOM 1391 C TRP E 215 17.919 73.258 22.442 1.00 20.40 C ATOM 1392 O TRP E 215 18.166 72.100 22.864 1.00 20.40 O ATOM 1393 CB TRP E 215 16.017 74.976 22.888 1.00 20.40 C ATOM 1394 CG TRP E 215 16.157 74.908 24.423 1.00 29.98 C ATOM 1395 CD1 TRP E 215 15.284 74.393 25.307 1.00 29.98 C ATOM 1396 CD2 TRP E 215 17.225 75.393 25.207 1.00 29.98 C ATOM 1397 NE1 TRP E 215 15.768 74.552 26.619 1.00 29.98 N ATOM 1398 CE2 TRP E 215 16.893 75.159 26.568 1.00 29.98 C ATOM 1399 CE3 TRP E 215 18.412 76.024 24.859 1.00 29.98 C ATOM 1400 CZ2 TRP E 215 17.716 75.539 27.625 1.00 29.98 C ATOM 1401 CZ3 TRP E 215 19.237 76.415 25.939 1.00 29.98 C ATOM 1402 CH2 TRP E 215 18.902 76.183 27.276 1.00 29.98 C ATOM 1403 N GLY E 216 18.861 74.152 22.160 1.00 25.31 N ATOM 1404 CA GLY E 216 20.311 74.013 22.404 1.00 25.31 C ATOM 1405 C GLY E 216 21.087 75.260 21.985 1.00 25.31 C ATOM 1406 O GLY E 216 20.494 76.127 21.303 1.00 25.31 O ATOM 1407 N SER E 217 22.409 75.265 22.119 1.00 23.56 N ATOM 1408 CA SER E 217 23.222 76.338 21.461 1.00 23.56 C ATOM 1409 C SER E 217 23.785 75.845 20.156 1.00 23.56 C ATOM 1410 O SER E 217 24.718 74.982 20.154 1.00 23.56 O ATOM 1411 CB SER E 217 24.383 76.953 22.314 1.00 23.56 C ATOM 1412 OG SER E 217 25.192 77.792 21.476 0.00 0.00 O ATOM 1413 N GLY E 219 23.023 76.136 19.114 1.00 18.75 N ATOM 1414 CA GLY E 219 23.317 75.517 17.818 1.00 18.75 C ATOM 1415 C GLY E 219 23.096 74.024 17.882 1.00 18.75 C ATOM 1416 O GLY E 219 22.208 73.549 18.638 1.00 18.75 O ATOM 1417 N CYS E 220 23.853 73.318 17.113 1.00 24.90 N ATOM 1418 CA CYS E 220 23.673 71.881 17.064 1.00 24.90 C ATOM 1419 C CYS E 220 25.040 71.228 17.044 1.00 24.90 C ATOM 1420 O CYS E 220 25.887 71.626 16.192 1.00 24.90 O ATOM 1421 CB CYS E 220 22.945 71.458 15.760 1.00 24.90 C ATOM 1422 SG CYS E 220 21.429 72.358 15.286 1.00 25.32 S ATOM 1423 N ALA E 221A 25.164 70.175 17.817 1.00 21.56 N ATOM 1424 CA ALA E 221A 26.368 69.339 17.769 1.00 21.56 C ATOM 1425 C ALA E 221A 27.668 70.102 18.019 1.00 21.56 C ATOM 1426 O ALA E 221A 28.746 69.539 17.721 1.00 21.56 O ATOM 1427 CB ALA E 221A 26.442 68.529 16.469 1.00 21.56 C ATOM 1428 N GLN E 221 27.549 71.208 18.750 1.00 24.24 N ATOM 1429 CA GLN E 221 28.684 71.936 19.354 1.00 24.24 C ATOM 1430 C GLN E 221 29.314 71.349 20.632 1.00 24.24 C ATOM 1431 O GLN E 221 28.678 70.589 21.400 1.00 24.24 O ATOM 1432 CB GLN E 221 28.367 73.419 19.547 1.00 24.24 C ATOM 1433 CG GLN E 221 28.225 74.146 18.184 1.00 25.32 C ATOM 1434 CD GLN E 221 27.577 75.509 18.425 0.50 25.32 C ATOM 1435 OE1 GLN E 221 27.791 76.132 19.496 0.00 0.00 O ATOM 1436 NE2 GLN E 221 26.801 75.943 17.451 0.00 0.00 N ATOM 1437 N LYS E 222 30.621 71.510 20.774 1.00 24.55 N ATOM 1438 CA LYS E 222 31.366 70.857 21.881 1.00 24.55 C ATOM 1439 C LYS E 222 30.960 71.585 23.154 1.00 24.55 C ATOM 1440 O LYS E 222 30.693 72.809 23.067 1.00 24.55 O ATOM 1441 CB LYS E 222 32.910 70.958 21.624 1.00 24.55 C ATOM 1442 CG LYS E 222 33.761 70.216 22.671 0.00 0.00 C ATOM 1443 CD LYS E 222 35.265 70.477 22.467 0.00 0.00 C ATOM 1444 CE LYS E 222 36.117 69.832 23.576 0.00 0.00 C ATOM 1445 NZ LYS E 222 37.532 70.175 23.387 0.00 0.00 N ATOM 1446 N ASN E 223 30.679 70.838 24.203 1.00 29.18 N ATOM 1447 CA ASN E 223 30.238 71.348 25.520 1.00 29.18 C ATOM 1448 C ASN E 223 28.863 71.978 25.559 1.00 29.18 C ATOM 1449 O ASN E 223 28.567 72.705 26.545 1.00 29.18 O ATOM 1450 CB ASN E 223 31.165 72.442 26.092 1.00 29.18 C ATOM 1451 CG ASN E 223 32.574 71.884 26.285 1.00 47.67 C ATOM 1452 OD1 ASN E 223 32.700 70.757 26.832 1.00 47.67 O ATOM 1453 ND2 ASN E 223 33.449 72.369 25.415 1.00 47.67 N ATOM 1454 N LYS E 224 28.091 71.793 24.500 1.00 28.23 N ATOM 1455 CA LYS E 224 26.706 72.282 24.488 1.00 28.23 C ATOM 1456 C LYS E 224 25.736 71.221 23.969 1.00 28.23 C ATOM 1457 O LYS E 224 25.417 71.176 22.752 1.00 28.23 O ATOM 1458 CB LYS E 224 26.621 73.495 23.577 1.00 28.23 C ATOM 1459 CG LYS E 224 27.542 74.648 24.001 1.00 24.92 C ATOM 1460 CD LYS E 224 27.970 75.391 22.726 1.00 24.92 C ATOM 1461 CE LYS E 224 28.780 76.664 23.027 0.00 0.00 C ATOM 1462 NZ LYS E 224 29.215 77.282 21.767 0.00 0.00 N ATOM 1463 N PRO E 225 25.358 70.326 24.840 1.00 26.59 N ATOM 1464 CA PRO E 225 24.496 69.207 24.447 1.00 26.59 C ATOM 1465 C PRO E 225 23.121 69.762 24.083 1.00 26.59 C ATOM 1466 O PRO E 225 22.781 70.865 24.584 1.00 26.59 O ATOM 1467 CB PRO E 225 24.338 68.345 25.735 1.00 26.59 C ATOM 1468 CG PRO E 225 24.940 69.143 26.920 1.00 19.85 C ATOM 1469 CD PRO E 225 25.628 70.382 26.312 1.00 19.85 C ATOM 1470 N GLY E 226 22.298 68.988 23.395 1.00 19.97 N ATOM 1471 CA GLY E 226 20.879 69.348 23.259 1.00 19.97 C ATOM 1472 C GLY E 226 20.135 69.333 24.599 1.00 19.97 C ATOM 1473 O GLY E 226 20.377 68.384 25.389 1.00 19.97 O ATOM 1474 N VAL E 227 19.146 70.214 24.708 1.00 13.83 N ATOM 1475 CA VAL E 227 18.097 70.317 25.748 1.00 13.83 C ATOM 1476 C VAL E 227 16.664 69.910 25.351 1.00 13.83 C ATOM 1477 O VAL E 227 16.216 70.129 24.198 1.00 13.83 O ATOM 1478 CB VAL E 227 18.039 71.728 26.355 1.00 13.83 C ATOM 1479 CG1 VAL E 227 17.367 71.608 27.728 1.00 15.00 C ATOM 1480 CG2 VAL E 227 19.448 72.334 26.515 1.00 15.00 C ATOM 1481 N TYR E 228 16.067 69.087 26.211 1.00 22.21 N ATOM 1482 CA TYR E 228 14.825 68.339 26.034 1.00 22.21 C ATOM 1483 C TYR E 228 13.839 68.567 27.180 1.00 22.21 C ATOM 1484 O TYR E 228 14.264 68.574 28.366 1.00 22.21 O ATOM 1485 CB TYR E 228 15.138 66.830 26.025 1.00 22.21 C ATOM 1486 CG TYR E 228 16.026 66.497 24.822 1.00 25.81 C ATOM 1487 CD1 TYR E 228 15.454 66.246 23.589 1.00 25.81 C ATOM 1488 CD2 TYR E 228 17.401 66.522 24.959 1.00 25.81 C ATOM 1489 CE1 TYR E 228 16.259 66.030 22.470 1.00 25.81 C ATOM 1490 CE2 TYR E 228 18.216 66.326 23.844 1.00 25.81 C ATOM 1491 CZ TYR E 228 17.648 66.086 22.603 1.00 25.81 C ATOM 1492 OH TYR E 228 18.501 65.910 21.460 1.00 25.81 O ATOM 1493 N THR E 229 12.565 68.534 26.855 1.00 18.20 N ATOM 1494 CA THR E 229 11.481 68.557 27.864 1.00 18.20 C ATOM 1495 C THR E 229 11.397 67.222 28.594 1.00 18.20 C ATOM 1496 O THR E 229 11.305 66.152 27.936 1.00 18.20 O ATOM 1497 CB THR E 229 10.148 68.860 27.167 1.00 18.20 C ATOM 1498 OG1 THR E 229 10.314 70.095 26.470 1.00 18.78 O ATOM 1499 CG2 THR E 229 8.986 68.977 28.199 1.00 18.78 C ATOM 1500 N LYS E 230 11.427 67.310 29.916 1.00 23.83 N ATOM 1501 CA LYS E 230 11.322 66.179 30.859 1.00 23.83 C ATOM 1502 C LYS E 230 9.891 65.678 31.016 1.00 23.83 C ATOM 1503 O LYS E 230 9.161 66.231 31.881 1.00 23.83 O ATOM 1504 CB LYS E 230 11.832 66.636 32.242 1.00 23.83 C ATOM 1505 CG LYS E 230 12.300 65.486 33.156 1.00 34.77 C ATOM 1506 CD LYS E 230 12.791 66.128 34.473 1.00 34.77 C ATOM 1507 CE LYS E 230 13.736 65.231 35.313 1.00 34.77 C ATOM 1508 NZ LYS E 230 14.173 65.972 36.504 0.00 0.00 N ATOM 1509 N VAL E 231 9.524 64.789 30.070 1.00 22.75 N ATOM 1510 CA VAL E 231 8.177 64.247 29.879 1.00 22.75 C ATOM 1511 C VAL E 231 7.592 63.596 31.125 1.00 22.75 C ATOM 1512 O VAL E 231 6.370 63.696 31.359 1.00 22.75 O ATOM 1513 CB VAL E 231 8.115 63.284 28.671 1.00 22.75 C ATOM 1514 CG1 VAL E 231 6.750 62.580 28.571 1.00 18.16 C ATOM 1515 CG2 VAL E 231 8.414 64.061 27.370 1.00 18.16 C ATOM 1516 N CYS E 232 8.449 62.982 31.900 1.00 25.42 N ATOM 1517 CA CYS E 232 8.044 62.299 33.120 1.00 25.42 C ATOM 1518 C CYS E 232 7.386 63.251 34.120 1.00 25.42 C ATOM 1519 O CYS E 232 6.478 62.810 34.863 1.00 25.42 O ATOM 1520 CB CYS E 232 9.221 61.525 33.781 1.00 25.42 C ATOM 1521 SG CYS E 232 10.556 62.570 34.463 1.00 24.24 S ATOM 1522 N ASN E 233 7.638 64.550 34.038 1.00 18.69 N ATOM 1523 CA ASN E 233 6.909 65.477 34.925 1.00 18.69 C ATOM 1524 C ASN E 233 5.463 65.765 34.525 1.00 18.69 C ATOM 1525 O ASN E 233 4.901 66.755 35.074 1.00 18.69 O ATOM 1526 CB ASN E 233 7.590 66.857 34.964 1.00 18.69 C ATOM 1527 CG ASN E 233 8.905 66.767 35.716 1.00 32.13 C ATOM 1528 OD1 ASN E 233 9.321 65.642 36.058 1.00 32.13 O ATOM 1529 ND2 ASN E 233 9.687 67.803 35.592 1.00 32.13 N ATOM 1530 N TYR E 234 5.097 65.312 33.332 1.00 19.75 N ATOM 1531 CA TYR E 234 3.863 65.832 32.696 1.00 19.75 C ATOM 1532 C TYR E 234 2.740 64.813 32.653 1.00 19.75 C ATOM 1533 O TYR E 234 1.730 65.137 32.007 1.00 19.75 O ATOM 1534 CB TYR E 234 4.093 66.454 31.315 1.00 19.75 C ATOM 1535 CG TYR E 234 4.908 67.757 31.465 1.00 19.27 C ATOM 1536 CD1 TYR E 234 4.289 68.931 31.809 1.00 19.27 C ATOM 1537 CD2 TYR E 234 6.274 67.723 31.327 1.00 19.27 C ATOM 1538 CE1 TYR E 234 5.040 70.085 32.033 1.00 19.27 C ATOM 1539 CE2 TYR E 234 7.032 68.868 31.539 1.00 19.27 C ATOM 1540 CZ TYR E 234 6.417 70.027 31.893 1.00 19.27 C ATOM 1541 OH TYR E 234 7.213 71.159 32.109 1.00 19.27 O ATOM 1542 N VAL E 235 3.034 63.582 33.036 1.00 25.17 N ATOM 1543 CA VAL E 235 2.195 62.415 32.660 1.00 25.17 C ATOM 1544 C VAL E 235 0.736 62.610 33.078 1.00 25.17 C ATOM 1545 O VAL E 235 -0.234 62.259 32.355 1.00 25.17 O ATOM 1546 CB VAL E 235 2.776 61.042 33.168 1.00 25.17 C ATOM 1547 CG1 VAL E 235 1.818 59.849 33.017 1.00 24.93 C ATOM 1548 CG2 VAL E 235 4.086 60.618 32.477 1.00 24.93 C ATOM 1549 N SER E 236 0.616 63.114 34.263 1.00 26.15 N ATOM 1550 CA SER E 236 -0.642 63.317 34.908 1.00 26.15 C ATOM 1551 C SER E 236 -1.432 64.338 34.113 1.00 26.15 C ATOM 1552 O SER E 236 -2.621 64.094 33.784 1.00 26.15 O ATOM 1553 CB SER E 236 -0.383 63.841 36.347 1.00 26.15 C ATOM 1554 OG SER E 236 0.427 62.901 37.063 0.00 0.00 O ATOM 1555 N TRP E 237 -0.730 65.407 33.777 1.00 22.11 N ATOM 1556 CA TRP E 237 -1.271 66.519 32.991 1.00 22.11 C ATOM 1557 C TRP E 237 -1.696 66.032 31.618 1.00 22.11 C ATOM 1558 O TRP E 237 -2.786 66.401 31.125 1.00 22.11 O ATOM 1559 CB TRP E 237 -0.315 67.707 32.886 1.00 22.11 C ATOM 1560 CG TRP E 237 -0.903 68.794 31.945 1.00 26.68 C ATOM 1561 CD1 TRP E 237 -1.837 69.710 32.235 1.00 26.68 C ATOM 1562 CD2 TRP E 237 -0.607 69.014 30.590 1.00 26.68 C ATOM 1563 NE1 TRP E 237 -2.107 70.525 31.125 1.00 26.68 N ATOM 1564 CE2 TRP E 237 -1.376 70.126 30.168 1.00 26.68 C ATOM 1565 CE3 TRP E 237 0.248 68.359 29.727 1.00 26.68 C ATOM 1566 CZ2 TRP E 237 -1.280 70.658 28.893 1.00 26.68 C ATOM 1567 CZ3 TRP E 237 0.341 68.896 28.445 1.00 26.68 C ATOM 1568 CH2 TRP E 237 -0.381 70.009 28.039 1.00 26.68 C ATOM 1569 N ILE E 238 -0.938 65.130 31.077 1.00 25.24 N ATOM 1570 CA ILE E 238 -1.246 64.644 29.749 1.00 25.24 C ATOM 1571 C ILE E 238 -2.481 63.744 29.758 1.00 25.24 C ATOM 1572 O ILE E 238 -3.442 63.950 28.972 1.00 25.24 O ATOM 1573 CB ILE E 238 -0.019 63.903 29.205 1.00 25.24 C ATOM 1574 CG1 ILE E 238 1.179 64.877 28.956 1.00 15.61 C ATOM 1575 CG2 ILE E 238 -0.429 63.146 27.932 1.00 15.61 C ATOM 1576 CD1 ILE E 238 2.535 64.173 28.655 1.00 15.61 C ATOM 1577 N LYS E 239 -2.499 62.804 30.663 1.00 22.84 N ATOM 1578 CA LYS E 239 -3.649 61.904 30.829 1.00 22.84 C ATOM 1579 C LYS E 239 -4.979 62.608 31.108 1.00 22.84 C ATOM 1580 O LYS E 239 -6.029 62.279 30.488 1.00 22.84 O ATOM 1581 CB LYS E 239 -3.325 61.007 32.000 1.00 22.84 C ATOM 1582 CG LYS E 239 -2.550 59.803 31.484 1.00 36.37 C ATOM 1583 CD LYS E 239 -1.710 59.177 32.605 1.00 36.37 C ATOM 1584 CE LYS E 239 -1.467 57.704 32.254 1.00 36.37 C ATOM 1585 NZ LYS E 239 -2.747 56.984 32.424 1.00 36.37 N ATOM 1586 N GLN E 240 -4.907 63.610 31.917 1.00 23.12 N ATOM 1587 CA GLN E 240 -6.106 64.325 32.205 1.00 23.12 C ATOM 1588 C GLN E 240 -6.532 65.256 31.093 1.00 23.12 C ATOM 1589 O GLN E 240 -7.774 65.392 30.912 1.00 23.12 O ATOM 1590 CB GLN E 240 -6.014 65.115 33.523 1.00 23.12 C ATOM 1591 CG GLN E 240 -7.387 65.678 34.001 1.00 22.99 C ATOM 1592 CD GLN E 240 -8.336 64.645 34.640 1.00 22.99 C ATOM 1593 OE1 GLN E 240 -7.968 63.451 34.778 1.00 22.99 O ATOM 1594 NE2 GLN E 240 -9.608 64.963 34.534 1.00 22.99 N ATOM 1595 N THR E 241 -5.543 65.807 30.364 1.00 24.17 N ATOM 1596 CA THR E 241 -5.853 66.659 29.181 1.00 24.17 C ATOM 1597 C THR E 241 -6.406 65.876 27.991 1.00 24.17 C ATOM 1598 O THR E 241 -7.472 66.233 27.438 1.00 24.17 O ATOM 1599 CB THR E 241 -4.681 67.550 28.755 1.00 24.17 C ATOM 1600 OG1 THR E 241 -4.347 68.319 29.904 1.00 23.46 O ATOM 1601 CG2 THR E 241 -5.067 68.527 27.619 1.00 23.46 C ATOM 1602 N ILE E 242 -5.847 64.721 27.752 1.00 20.49 N ATOM 1603 CA ILE E 242 -6.405 63.841 26.730 1.00 20.49 C ATOM 1604 C ILE E 242 -7.845 63.446 27.080 1.00 20.49 C ATOM 1605 O ILE E 242 -8.716 63.398 26.173 1.00 20.49 O ATOM 1606 CB ILE E 242 -5.555 62.535 26.547 1.00 20.49 C ATOM 1607 CG1 ILE E 242 -4.276 62.645 25.688 1.00 27.78 C ATOM 1608 CG2 ILE E 242 -6.381 61.396 25.939 1.00 27.78 C ATOM 1609 CD1 ILE E 242 -3.545 63.983 25.792 1.00 27.78 C ATOM 1610 N ALA E 243 -8.089 63.153 28.344 1.00 26.09 N ATOM 1611 CA ALA E 243 -9.391 62.562 28.773 1.00 26.09 C ATOM 1612 C ALA E 243 -10.519 63.580 28.804 1.00 26.09 C ATOM 1613 O ALA E 243 -11.701 63.196 28.688 1.00 26.09 O ATOM 1614 CB ALA E 243 -9.284 61.927 30.168 1.00 26.09 C ATOM 1615 N SER E 244 -10.175 64.844 28.857 1.00 18.30 N ATOM 1616 CA SER E 244 -11.228 65.838 28.931 1.00 18.30 C ATOM 1617 C SER E 244 -11.288 66.776 27.736 1.00 18.30 C ATOM 1618 O SER E 244 -11.690 67.952 27.879 1.00 18.30 O ATOM 1619 CB SER E 244 -11.170 66.621 30.234 1.00 18.30 C ATOM 1620 OG SER E 244 -9.880 67.212 30.434 1.00 33.89 O ATOM 1621 N ASN E 245 -10.841 66.283 26.607 1.00 23.66 N ATOM 1622 CA ASN E 245 -10.874 67.057 25.358 1.00 23.66 C ATOM 1623 C ASN E 245 -11.271 66.144 24.222 1.00 23.66 C ATOM 1624 O ASN E 245 -11.551 66.665 23.129 1.00 23.66 O ATOM 1625 CB ASN E 245 -9.517 67.741 24.986 1.00 23.66 C ATOM 1626 CG ASN E 245 -9.167 68.908 25.933 1.00 28.31 C ATOM 1627 OD1 ASN E 245 -9.491 70.090 25.678 1.00 28.31 O ATOM 1628 ND2 ASN E 245 -8.611 68.589 27.082 1.00 28.31 N ATOM 1629 OXT ASN E 245 -11.309 64.888 24.359 1.00 29.09 O TER 1630 ASN E 245 ATOM 1631 N ARG I 1 11.556 100.523 6.363 0.00 0.00 N ATOM 1632 CA ARG I 1 12.477 101.610 6.745 0.00 0.00 C ATOM 1633 C ARG I 1 13.478 101.424 7.895 0.00 0.00 C ATOM 1634 O ARG I 1 14.643 101.861 7.714 0.00 0.00 O ATOM 1635 CB ARG I 1 11.833 103.013 6.767 0.00 0.00 C ATOM 1636 CG ARG I 1 12.908 104.075 6.463 0.00 0.00 C ATOM 1637 CD ARG I 1 12.469 105.531 6.689 0.00 0.00 C ATOM 1638 NE ARG I 1 13.642 106.385 6.457 0.00 0.00 N ATOM 1639 CZ ARG I 1 13.609 107.654 6.107 0.00 0.00 C ATOM 1640 NH1 ARG I 1 12.457 108.280 5.974 0.00 0.00 N ATOM 1641 NH2 ARG I 1 14.740 108.301 5.901 0.00 0.00 N ATOM 1642 N PRO I 2 13.072 100.989 9.096 0.00 0.00 N ATOM 1643 CA PRO I 2 13.940 101.032 10.294 0.00 0.00 C ATOM 1644 C PRO I 2 15.238 100.219 10.331 0.00 0.00 C ATOM 1645 O PRO I 2 15.734 99.665 9.320 0.00 0.00 O ATOM 1646 CB PRO I 2 13.087 100.572 11.490 0.00 0.00 C ATOM 1647 CG PRO I 2 11.676 100.276 10.964 0.00 0.00 C ATOM 1648 CD PRO I 2 11.697 100.592 9.460 0.00 0.00 C ATOM 1649 N ASP I 3 15.843 100.358 11.480 1.00 32.12 N ATOM 1650 CA ASP I 3 17.189 99.893 11.976 1.00 32.12 C ATOM 1651 C ASP I 3 17.250 98.461 12.511 1.00 32.12 C ATOM 1652 O ASP I 3 18.192 97.733 12.119 1.00 32.12 O ATOM 1653 CB ASP I 3 17.854 100.883 12.948 0.00 0.00 C ATOM 1654 CG ASP I 3 17.969 100.232 14.320 0.00 0.00 C ATOM 1655 OD1 ASP I 3 17.029 100.377 15.138 0.00 0.00 O ATOM 1656 OD2 ASP I 3 19.109 99.933 14.760 0.00 0.00 O ATOM 1657 N PHE I 4 16.117 97.908 12.991 1.00 26.98 N ATOM 1658 CA PHE I 4 15.951 96.436 13.156 1.00 26.98 C ATOM 1659 C PHE I 4 15.842 95.657 11.824 1.00 26.98 C ATOM 1660 O PHE I 4 16.236 94.471 11.696 1.00 26.98 O ATOM 1661 CB PHE I 4 14.849 96.083 14.190 1.00 26.98 C ATOM 1662 CG PHE I 4 13.411 96.286 13.684 1.00 22.09 C ATOM 1663 CD1 PHE I 4 12.852 95.380 12.806 1.00 22.09 C ATOM 1664 CD2 PHE I 4 12.750 97.435 13.990 1.00 22.09 C ATOM 1665 CE1 PHE I 4 11.611 95.605 12.244 1.00 22.09 C ATOM 1666 CE2 PHE I 4 11.524 97.687 13.425 1.00 22.09 C ATOM 1667 CZ PHE I 4 10.948 96.765 12.560 1.00 22.09 C ATOM 1668 N CYS I 5 15.444 96.378 10.804 1.00 24.44 N ATOM 1669 CA CYS I 5 15.416 95.907 9.440 1.00 24.44 C ATOM 1670 C CYS I 5 16.807 95.724 8.858 1.00 24.44 C ATOM 1671 O CYS I 5 16.940 95.152 7.748 1.00 24.44 O ATOM 1672 CB CYS I 5 14.679 96.936 8.578 1.00 24.44 C ATOM 1673 SG CYS I 5 12.922 97.167 8.967 1.00 26.85 S ATOM 1674 N LEU I 6 17.811 96.151 9.592 1.00 29.00 N ATOM 1675 CA LEU I 6 19.168 95.942 9.102 1.00 29.00 C ATOM 1676 C LEU I 6 19.854 94.818 9.843 1.00 29.00 C ATOM 1677 O LEU I 6 20.958 94.386 9.448 1.00 29.00 O ATOM 1678 CB LEU I 6 20.035 97.209 9.199 1.00 29.00 C ATOM 1679 CG LEU I 6 19.407 98.377 8.415 1.00 28.07 C ATOM 1680 CD1 LEU I 6 20.269 99.619 8.588 1.00 28.07 C ATOM 1681 CD2 LEU I 6 19.095 98.066 6.931 1.00 28.07 C ATOM 1682 N GLU I 7 19.186 94.286 10.819 1.00 20.27 N ATOM 1683 CA GLU I 7 19.815 93.196 11.533 1.00 20.27 C ATOM 1684 C GLU I 7 19.770 91.878 10.760 1.00 20.27 C ATOM 1685 O GLU I 7 18.946 91.706 9.840 1.00 20.27 O ATOM 1686 CB GLU I 7 19.213 93.083 12.952 1.00 20.27 C ATOM 1687 CG GLU I 7 19.377 94.369 13.782 0.00 0.00 C ATOM 1688 CD GLU I 7 18.810 94.113 15.176 0.00 0.00 C ATOM 1689 OE1 GLU I 7 18.975 92.976 15.686 0.00 0.00 O ATOM 1690 OE2 GLU I 7 17.832 94.800 15.567 0.00 0.00 O ATOM 1691 N PRO I 8 20.760 91.044 10.923 1.00 28.05 N ATOM 1692 CA PRO I 8 20.744 89.737 10.289 1.00 28.05 C ATOM 1693 C PRO I 8 19.675 88.826 10.912 1.00 28.05 C ATOM 1694 O PRO I 8 19.323 88.931 12.117 1.00 28.05 O ATOM 1695 CB PRO I 8 22.137 89.138 10.539 1.00 28.05 C ATOM 1696 CG PRO I 8 22.853 90.068 11.527 1.00 24.54 C ATOM 1697 CD PRO I 8 21.934 91.254 11.774 1.00 24.54 C ATOM 1698 N PRO I 9 19.187 87.927 10.106 1.00 24.32 N ATOM 1699 CA PRO I 9 18.208 86.972 10.531 1.00 24.32 C ATOM 1700 C PRO I 9 18.752 86.115 11.674 1.00 24.32 C ATOM 1701 O PRO I 9 19.874 85.559 11.562 1.00 24.32 O ATOM 1702 CB PRO I 9 17.939 86.049 9.339 1.00 24.32 C ATOM 1703 CG PRO I 9 19.043 86.328 8.334 1.00 17.74 C ATOM 1704 CD PRO I 9 19.712 87.621 8.777 1.00 17.74 C ATOM 1705 N TYR I 10 17.888 85.938 12.658 1.00 20.33 N ATOM 1706 CA TYR I 10 18.085 85.130 13.873 1.00 20.33 C ATOM 1707 C TYR I 10 17.304 83.821 13.911 1.00 20.33 C ATOM 1708 O TYR I 10 16.077 83.886 14.179 1.00 20.33 O ATOM 1709 CB TYR I 10 17.644 86.007 15.058 1.00 20.33 C ATOM 1710 CG TYR I 10 18.093 85.407 16.393 1.00 29.27 C ATOM 1711 CD1 TYR I 10 17.176 85.139 17.395 1.00 29.27 C ATOM 1712 CD2 TYR I 10 19.434 85.182 16.600 1.00 29.27 C ATOM 1713 CE1 TYR I 10 17.615 84.601 18.608 1.00 29.27 C ATOM 1714 CE2 TYR I 10 19.881 84.652 17.800 1.00 29.27 C ATOM 1715 CZ TYR I 10 18.972 84.360 18.799 1.00 29.27 C ATOM 1716 OH TYR I 10 19.437 83.739 19.995 1.00 29.27 O ATOM 1717 N THR I 11 17.973 82.688 13.720 1.00 19.40 N ATOM 1718 CA THR I 11 17.289 81.399 13.918 1.00 19.40 C ATOM 1719 C THR I 11 16.921 81.164 15.373 1.00 19.40 C ATOM 1720 O THR I 11 15.831 80.605 15.682 1.00 19.40 O ATOM 1721 CB THR I 11 18.116 80.187 13.444 1.00 19.40 C ATOM 1722 OG1 THR I 11 18.336 80.299 12.044 1.00 14.36 O ATOM 1723 CG2 THR I 11 17.428 78.829 13.752 1.00 14.36 C ATOM 1724 N GLY I 12 17.845 81.482 16.258 1.00 20.23 N ATOM 1725 CA GLY I 12 17.541 81.176 17.687 1.00 20.23 C ATOM 1726 C GLY I 12 17.734 79.710 18.095 1.00 20.23 C ATOM 1727 O GLY I 12 18.016 78.823 17.255 1.00 20.23 O ATOM 1728 N PRO I 13 17.568 79.467 19.378 1.00 21.91 N ATOM 1729 CA PRO I 13 17.972 78.222 20.078 1.00 21.91 C ATOM 1730 C PRO I 13 17.060 77.021 19.881 1.00 21.91 C ATOM 1731 O PRO I 13 17.580 75.884 19.762 1.00 21.91 O ATOM 1732 CB PRO I 13 17.852 78.542 21.562 1.00 21.91 C ATOM 1733 CG PRO I 13 17.213 79.925 21.690 1.00 23.74 C ATOM 1734 CD PRO I 13 17.119 80.528 20.298 1.00 23.74 C ATOM 1735 N CYS I 14 15.774 77.283 19.662 1.00 23.02 N ATOM 1736 CA CYS I 14 14.820 76.211 19.312 1.00 23.02 C ATOM 1737 C CYS I 14 15.003 75.624 17.919 1.00 23.02 C ATOM 1738 O CYS I 14 15.688 76.253 17.071 1.00 23.02 O ATOM 1739 CB CYS I 14 13.360 76.627 19.534 1.00 23.02 C ATOM 1740 SG CYS I 14 13.064 77.169 21.205 1.00 24.46 S ATOM 1741 N LYS I 15 14.539 74.396 17.800 1.00 16.55 N ATOM 1742 CA LYS I 15 14.828 73.428 16.759 1.00 16.55 C ATOM 1743 C LYS I 15 13.619 73.020 15.929 1.00 16.55 C ATOM 1744 O LYS I 15 13.557 71.901 15.351 1.00 16.55 O ATOM 1745 CB LYS I 15 15.416 72.183 17.428 1.00 16.55 C ATOM 1746 CG LYS I 15 16.753 72.549 18.115 1.00 14.78 C ATOM 1747 CD LYS I 15 17.464 71.290 18.617 1.00 14.78 C ATOM 1748 CE LYS I 15 18.896 71.621 19.154 1.00 14.78 C ATOM 1749 NZ LYS I 15 19.437 70.451 19.914 1.00 14.78 N ATOM 1750 N ALA I 16 12.834 73.978 15.672 1.00 15.76 N ATOM 1751 CA ALA I 16 11.831 73.808 14.592 1.00 15.76 C ATOM 1752 C ALA I 16 12.484 74.216 13.274 1.00 15.76 C ATOM 1753 O ALA I 16 13.509 74.936 13.282 1.00 15.76 O ATOM 1754 CB ALA I 16 10.568 74.685 14.873 1.00 15.76 C ATOM 1755 N ARG I 17 11.882 73.842 12.190 1.00 15.06 N ATOM 1756 CA ARG I 17 12.218 74.380 10.891 1.00 15.06 C ATOM 1757 C ARG I 17 11.071 75.227 10.327 1.00 15.06 C ATOM 1758 O ARG I 17 10.326 74.772 9.434 1.00 15.06 O ATOM 1759 CB ARG I 17 12.646 73.238 9.953 1.00 15.06 C ATOM 1760 CG ARG I 17 13.612 73.712 8.851 1.00 28.94 C ATOM 1761 CD ARG I 17 12.909 74.410 7.661 1.00 28.94 C ATOM 1762 NE ARG I 17 11.960 73.439 7.154 1.00 28.94 N ATOM 1763 CZ ARG I 17 12.247 72.562 6.201 1.00 28.94 C ATOM 1764 NH1 ARG I 17 13.399 72.528 5.579 1.00 28.94 N ATOM 1765 NH2 ARG I 17 11.458 71.542 6.033 1.00 28.94 N ATOM 1766 N ILE I 18 10.950 76.436 10.779 1.00 21.11 N ATOM 1767 CA ILE I 18 9.862 77.349 10.364 1.00 21.11 C ATOM 1768 C ILE I 18 10.338 78.441 9.406 1.00 21.11 C ATOM 1769 O ILE I 18 11.388 79.096 9.651 1.00 21.11 O ATOM 1770 CB ILE I 18 9.221 78.006 11.616 1.00 21.11 C ATOM 1771 CG1 ILE I 18 8.529 76.962 12.531 1.00 17.81 C ATOM 1772 CG2 ILE I 18 8.268 79.171 11.312 1.00 17.81 C ATOM 1773 CD1 ILE I 18 8.356 77.540 13.935 1.00 17.81 C ATOM 1774 N ILE I 19 9.733 78.487 8.223 1.00 19.42 N ATOM 1775 CA ILE I 19 10.253 79.425 7.238 1.00 19.42 C ATOM 1776 C ILE I 19 9.574 80.778 7.370 1.00 19.42 C ATOM 1777 O ILE I 19 8.336 80.831 7.508 1.00 19.42 O ATOM 1778 CB ILE I 19 10.152 78.891 5.797 1.00 19.42 C ATOM 1779 CG1 ILE I 19 10.863 77.539 5.660 1.00 21.37 C ATOM 1780 CG2 ILE I 19 10.678 79.921 4.773 1.00 21.37 C ATOM 1781 CD1 ILE I 19 10.218 76.666 4.561 1.00 21.37 C ATOM 1782 N ARG I 20 10.358 81.778 7.584 1.00 16.05 N ATOM 1783 CA ARG I 20 9.908 83.163 7.825 1.00 16.05 C ATOM 1784 C ARG I 20 10.655 84.087 6.882 1.00 16.05 C ATOM 1785 O ARG I 20 11.521 83.584 6.125 1.00 16.05 O ATOM 1786 CB ARG I 20 10.318 83.634 9.246 1.00 16.05 C ATOM 1787 CG ARG I 20 9.620 82.768 10.314 1.00 24.80 C ATOM 1788 CD ARG I 20 8.119 83.115 10.272 1.00 24.80 C ATOM 1789 NE ARG I 20 7.394 82.472 11.386 1.00 24.80 N ATOM 1790 CZ ARG I 20 7.252 82.999 12.597 1.00 24.80 C ATOM 1791 NH1 ARG I 20 7.810 84.146 12.945 1.00 24.80 N ATOM 1792 NH2 ARG I 20 6.599 82.328 13.490 1.00 24.80 N ATOM 1793 N TYR I 21 10.412 85.385 7.011 1.00 16.68 N ATOM 1794 CA TYR I 21 11.003 86.390 6.138 1.00 16.68 C ATOM 1795 C TYR I 21 11.790 87.418 6.908 1.00 16.68 C ATOM 1796 O TYR I 21 11.390 87.832 8.021 1.00 16.68 O ATOM 1797 CB TYR I 21 9.953 87.143 5.268 1.00 16.68 C ATOM 1798 CG TYR I 21 9.266 86.236 4.221 1.00 20.19 C ATOM 1799 CD1 TYR I 21 8.252 85.362 4.594 1.00 20.19 C ATOM 1800 CD2 TYR I 21 9.639 86.342 2.897 1.00 20.19 C ATOM 1801 CE1 TYR I 21 7.644 84.560 3.640 1.00 20.19 C ATOM 1802 CE2 TYR I 21 9.031 85.550 1.931 1.00 20.19 C ATOM 1803 CZ TYR I 21 8.056 84.646 2.304 1.00 20.19 C ATOM 1804 OH TYR I 21 7.532 83.770 1.318 1.00 20.19 O ATOM 1805 N PHE I 22 12.860 87.832 6.314 1.00 12.89 N ATOM 1806 CA PHE I 22 13.634 88.952 6.880 1.00 12.89 C ATOM 1807 C PHE I 22 13.988 89.919 5.759 1.00 12.89 C ATOM 1808 O PHE I 22 14.196 89.494 4.588 1.00 12.89 O ATOM 1809 CB PHE I 22 14.932 88.490 7.627 1.00 12.89 C ATOM 1810 CG PHE I 22 16.071 88.043 6.680 1.00 16.38 C ATOM 1811 CD1 PHE I 22 17.108 88.908 6.392 1.00 16.38 C ATOM 1812 CD2 PHE I 22 16.010 86.818 6.058 1.00 16.38 C ATOM 1813 CE1 PHE I 22 18.088 88.550 5.468 1.00 16.38 C ATOM 1814 CE2 PHE I 22 16.988 86.459 5.119 1.00 16.38 C ATOM 1815 CZ PHE I 22 18.016 87.321 4.822 1.00 16.38 C ATOM 1816 N TYR I 23 14.102 91.134 6.110 1.00 23.38 N ATOM 1817 CA TYR I 23 14.598 92.110 5.173 1.00 23.38 C ATOM 1818 C TYR I 23 16.111 91.997 4.987 1.00 23.38 C ATOM 1819 O TYR I 23 16.887 92.243 5.933 1.00 23.38 O ATOM 1820 CB TYR I 23 14.212 93.526 5.632 1.00 23.38 C ATOM 1821 CG TYR I 23 14.494 94.591 4.557 1.00 24.73 C ATOM 1822 CD1 TYR I 23 15.549 95.451 4.747 1.00 24.73 C ATOM 1823 CD2 TYR I 23 13.737 94.654 3.399 1.00 24.73 C ATOM 1824 CE1 TYR I 23 15.860 96.393 3.793 1.00 24.73 C ATOM 1825 CE2 TYR I 23 14.033 95.615 2.447 1.00 24.73 C ATOM 1826 CZ TYR I 23 15.103 96.488 2.652 1.00 24.73 C ATOM 1827 OH TYR I 23 15.352 97.592 1.747 1.00 24.73 O ATOM 1828 N ASN I 24 16.517 91.723 3.764 1.00 21.03 N ATOM 1829 CA ASN I 24 17.907 91.772 3.351 1.00 21.03 C ATOM 1830 C ASN I 24 18.248 93.152 2.794 1.00 21.03 C ATOM 1831 O ASN I 24 17.948 93.462 1.619 1.00 21.03 O ATOM 1832 CB ASN I 24 18.083 90.753 2.236 1.00 21.03 C ATOM 1833 CG ASN I 24 19.563 90.618 1.963 1.00 23.74 C ATOM 1834 OD1 ASN I 24 20.376 91.424 2.482 1.00 23.74 O ATOM 1835 ND2 ASN I 24 19.868 89.383 1.678 1.00 23.74 N ATOM 1836 N ALA I 25 18.857 93.979 3.602 1.00 34.41 N ATOM 1837 CA ALA I 25 19.201 95.305 3.081 1.00 34.41 C ATOM 1838 C ALA I 25 20.240 95.231 1.964 1.00 34.41 C ATOM 1839 O ALA I 25 20.263 96.145 1.115 1.00 34.41 O ATOM 1840 CB ALA I 25 19.685 96.287 4.166 1.00 34.41 C ATOM 1841 N LYS I 26 21.008 94.173 1.895 1.00 38.29 N ATOM 1842 CA LYS I 26 21.991 94.157 0.800 1.00 38.29 C ATOM 1843 C LYS I 26 21.349 94.023 -0.576 1.00 38.29 C ATOM 1844 O LYS I 26 21.669 94.827 -1.476 1.00 38.29 O ATOM 1845 CB LYS I 26 23.136 93.142 1.001 1.00 38.29 C ATOM 1846 CG LYS I 26 23.716 93.191 2.427 0.00 0.00 C ATOM 1847 CD LYS I 26 24.755 92.075 2.651 0.00 0.00 C ATOM 1848 CE LYS I 26 25.293 92.063 4.094 0.00 0.00 C ATOM 1849 NZ LYS I 26 26.249 90.961 4.265 0.00 0.00 N ATOM 1850 N ALA I 27 20.394 93.125 -0.654 1.00 21.89 N ATOM 1851 CA ALA I 27 19.604 92.761 -1.808 1.00 21.89 C ATOM 1852 C ALA I 27 18.495 93.779 -2.056 1.00 21.89 C ATOM 1853 O ALA I 27 17.968 93.946 -3.192 1.00 21.89 O ATOM 1854 CB ALA I 27 19.001 91.347 -1.533 1.00 21.89 C ATOM 1855 N GLY I 28 18.093 94.428 -1.001 1.00 24.48 N ATOM 1856 CA GLY I 28 16.935 95.314 -1.169 1.00 24.48 C ATOM 1857 C GLY I 28 15.619 94.555 -1.343 1.00 24.48 C ATOM 1858 O GLY I 28 14.629 95.108 -1.873 1.00 24.48 O ATOM 1859 N LEU I 29 15.534 93.393 -0.728 1.00 25.86 N ATOM 1860 CA LEU I 29 14.266 92.676 -0.620 1.00 25.86 C ATOM 1861 C LEU I 29 14.062 91.814 0.620 1.00 25.86 C ATOM 1862 O LEU I 29 15.006 91.470 1.380 1.00 25.86 O ATOM 1863 CB LEU I 29 13.915 91.915 -1.893 1.00 25.86 C ATOM 1864 CG LEU I 29 15.064 91.089 -2.461 1.00 30.84 C ATOM 1865 CD1 LEU I 29 15.725 90.129 -1.461 1.00 30.84 C ATOM 1866 CD2 LEU I 29 14.615 90.417 -3.761 1.00 30.84 C ATOM 1867 N CYS I 30 12.880 91.328 0.704 1.00 14.75 N ATOM 1868 CA CYS I 30 12.633 90.336 1.701 1.00 14.75 C ATOM 1869 C CYS I 30 13.052 88.951 1.220 1.00 14.75 C ATOM 1870 O CYS I 30 12.704 88.553 0.079 1.00 14.75 O ATOM 1871 CB CYS I 30 11.168 90.482 2.147 1.00 14.75 C ATOM 1872 SG CYS I 30 10.898 92.097 2.928 1.00 17.58 S ATOM 1873 N GLN I 31 13.813 88.247 2.061 1.00 12.86 N ATOM 1874 CA GLN I 31 14.166 86.837 1.860 1.00 12.86 C ATOM 1875 C GLN I 31 13.647 85.883 2.936 1.00 12.86 C ATOM 1876 O GLN I 31 13.340 86.304 4.079 1.00 12.86 O ATOM 1877 CB GLN I 31 15.673 86.666 1.709 1.00 12.86 C ATOM 1878 CG GLN I 31 16.165 87.647 0.676 1.00 48.08 C ATOM 1879 CD GLN I 31 17.365 87.037 -0.021 1.00 48.08 C ATOM 1880 OE1 GLN I 31 18.490 87.606 0.100 1.00 48.08 O ATOM 1881 NE2 GLN I 31 16.996 86.255 -1.026 1.00 48.08 N ATOM 1882 N THR I 32 13.678 84.624 2.617 1.00 15.34 N ATOM 1883 CA THR I 32 13.299 83.567 3.577 1.00 15.34 C ATOM 1884 C THR I 32 14.517 82.999 4.317 1.00 15.34 C ATOM 1885 O THR I 32 15.666 83.085 3.826 1.00 15.34 O ATOM 1886 CB THR I 32 12.621 82.386 2.835 1.00 15.34 C ATOM 1887 OG1 THR I 32 13.588 81.864 1.926 1.00 11.18 O ATOM 1888 CG2 THR I 32 11.332 82.750 2.047 1.00 11.18 C ATOM 1889 N PHE I 33 14.288 82.473 5.493 1.00 12.01 N ATOM 1890 CA PHE I 33 15.351 81.981 6.375 1.00 12.01 C ATOM 1891 C PHE I 33 14.697 81.042 7.355 1.00 12.01 C ATOM 1892 O PHE I 33 13.450 80.931 7.282 1.00 12.01 O ATOM 1893 CB PHE I 33 16.119 83.124 7.099 1.00 12.01 C ATOM 1894 CG PHE I 33 15.354 83.654 8.333 1.00 16.35 C ATOM 1895 CD1 PHE I 33 15.701 83.245 9.606 1.00 16.35 C ATOM 1896 CD2 PHE I 33 14.347 84.579 8.177 1.00 16.35 C ATOM 1897 CE1 PHE I 33 15.002 83.730 10.719 1.00 16.35 C ATOM 1898 CE2 PHE I 33 13.668 85.093 9.279 1.00 16.35 C ATOM 1899 CZ PHE I 33 13.985 84.655 10.553 1.00 16.35 C ATOM 1900 N VAL I 34 15.471 80.225 8.047 1.00 17.33 N ATOM 1901 CA VAL I 34 14.856 79.258 8.983 1.00 17.33 C ATOM 1902 C VAL I 34 14.851 79.764 10.419 1.00 17.33 C ATOM 1903 O VAL I 34 15.874 80.294 10.911 1.00 17.33 O ATOM 1904 CB VAL I 34 15.605 77.929 8.972 1.00 17.33 C ATOM 1905 CG1 VAL I 34 15.196 76.964 10.125 1.00 20.79 C ATOM 1906 CG2 VAL I 34 15.532 77.302 7.582 1.00 20.79 C ATOM 1907 N TYR I 35 13.675 79.799 10.981 1.00 15.11 N ATOM 1908 CA TYR I 35 13.423 80.275 12.319 1.00 15.11 C ATOM 1909 C TYR I 35 13.106 79.089 13.219 1.00 15.11 C ATOM 1910 O TYR I 35 12.541 78.079 12.734 1.00 15.11 O ATOM 1911 CB TYR I 35 12.257 81.243 12.260 1.00 15.11 C ATOM 1912 CG TYR I 35 11.812 81.655 13.665 1.00 19.22 C ATOM 1913 CD1 TYR I 35 12.718 82.145 14.577 1.00 19.22 C ATOM 1914 CD2 TYR I 35 10.489 81.507 14.007 1.00 19.22 C ATOM 1915 CE1 TYR I 35 12.300 82.514 15.852 1.00 19.22 C ATOM 1916 CE2 TYR I 35 10.056 81.886 15.261 1.00 19.22 C ATOM 1917 CZ TYR I 35 10.963 82.401 16.176 1.00 19.22 C ATOM 1918 OH TYR I 35 10.510 82.804 17.465 1.00 19.22 O ATOM 1919 N GLY I 36 13.844 79.023 14.298 1.00 17.98 N ATOM 1920 CA GLY I 36 13.893 77.802 15.097 1.00 17.98 C ATOM 1921 C GLY I 36 12.613 77.674 15.918 1.00 17.98 C ATOM 1922 O GLY I 36 12.311 76.573 16.417 1.00 17.98 O ATOM 1923 N GLY I 37 11.842 78.745 15.991 1.00 17.61 N ATOM 1924 CA GLY I 37 10.544 78.717 16.654 1.00 17.61 C ATOM 1925 C GLY I 37 10.505 79.426 17.998 1.00 17.61 C ATOM 1926 O GLY I 37 9.409 79.525 18.603 1.00 17.61 O ATOM 1927 N CYS I 38 11.571 80.058 18.407 1.00 22.55 N ATOM 1928 CA CYS I 38 11.472 80.801 19.687 1.00 22.55 C ATOM 1929 C CYS I 38 12.516 81.880 19.713 1.00 22.55 C ATOM 1930 O CYS I 38 13.615 81.593 19.185 1.00 22.55 O ATOM 1931 CB CYS I 38 11.675 79.908 20.963 1.00 22.55 C ATOM 1932 SG CYS I 38 13.334 79.181 21.215 1.00 16.96 S ATOM 1933 N ARG I 39 12.200 82.885 20.452 1.00 22.31 N ATOM 1934 CA ARG I 39 13.060 83.962 20.816 1.00 22.31 C ATOM 1935 C ARG I 39 13.355 84.833 19.598 1.00 22.31 C ATOM 1936 O ARG I 39 14.489 85.352 19.469 1.00 22.31 O ATOM 1937 CB ARG I 39 14.359 83.407 21.486 1.00 22.31 C ATOM 1938 CG ARG I 39 14.196 82.913 22.945 1.00 35.06 C ATOM 1939 CD ARG I 39 15.583 82.699 23.601 1.00 35.06 C ATOM 1940 NE ARG I 39 15.448 82.315 25.003 1.00 35.06 N ATOM 1941 CZ ARG I 39 16.162 81.388 25.679 1.00 35.06 C ATOM 1942 NH1 ARG I 39 17.167 80.675 25.157 1.00 35.06 N ATOM 1943 NH2 ARG I 39 15.841 81.139 26.940 1.00 35.06 N ATOM 1944 N ALA I 40 12.376 84.977 18.717 1.00 28.06 N ATOM 1945 CA ALA I 40 12.490 85.840 17.507 1.00 28.06 C ATOM 1946 C ALA I 40 12.986 87.266 17.739 1.00 28.06 C ATOM 1947 O ALA I 40 12.405 88.016 18.560 1.00 28.06 O ATOM 1948 CB ALA I 40 11.130 85.992 16.809 1.00 28.06 C ATOM 1949 N LYS I 41 13.784 87.746 16.822 1.00 14.82 N ATOM 1950 CA LYS I 41 14.113 89.172 16.769 1.00 14.82 C ATOM 1951 C LYS I 41 13.194 89.859 15.785 1.00 14.82 C ATOM 1952 O LYS I 41 12.174 89.247 15.376 1.00 14.82 O ATOM 1953 CB LYS I 41 15.573 89.357 16.337 1.00 14.82 C ATOM 1954 CG LYS I 41 16.490 88.790 17.440 1.00 24.48 C ATOM 1955 CD LYS I 41 18.011 88.860 17.222 1.00 24.48 C ATOM 1956 CE LYS I 41 18.716 88.461 18.555 1.00 24.48 C ATOM 1957 NZ LYS I 41 20.171 88.423 18.372 0.00 0.00 N ATOM 1958 N ARG I 42 13.337 91.147 15.708 1.00 21.99 N ATOM 1959 CA ARG I 42 12.299 91.924 15.042 1.00 21.99 C ATOM 1960 C ARG I 42 12.292 91.860 13.523 1.00 21.99 C ATOM 1961 O ARG I 42 11.189 91.844 12.926 1.00 21.99 O ATOM 1962 CB ARG I 42 12.222 93.374 15.523 1.00 21.99 C ATOM 1963 CG ARG I 42 11.307 93.528 16.742 1.00 23.63 C ATOM 1964 CD ARG I 42 11.227 94.991 17.178 1.00 23.63 C ATOM 1965 NE ARG I 42 12.601 95.428 17.417 1.00 23.63 N ATOM 1966 CZ ARG I 42 13.006 96.667 17.542 1.00 23.63 C ATOM 1967 NH1 ARG I 42 12.146 97.632 17.612 1.00 23.63 N ATOM 1968 NH2 ARG I 42 14.291 96.892 17.763 1.00 23.63 N ATOM 1969 N ASN I 43 13.446 91.672 12.942 1.00 23.45 N ATOM 1970 CA ASN I 43 13.561 91.320 11.525 1.00 23.45 C ATOM 1971 C ASN I 43 13.104 89.884 11.210 1.00 23.45 C ATOM 1972 O ASN I 43 13.903 88.996 10.840 1.00 23.45 O ATOM 1973 CB ASN I 43 15.001 91.578 11.025 1.00 23.45 C ATOM 1974 CG ASN I 43 15.012 91.842 9.527 1.00 19.30 C ATOM 1975 OD1 ASN I 43 13.935 91.972 8.891 1.00 19.30 O ATOM 1976 ND2 ASN I 43 16.188 91.726 8.972 1.00 19.30 N ATOM 1977 N ASN I 44 11.853 89.596 11.471 1.00 14.24 N ATOM 1978 CA ASN I 44 11.285 88.273 11.304 1.00 14.24 C ATOM 1979 C ASN I 44 9.774 88.408 11.025 1.00 14.24 C ATOM 1980 O ASN I 44 8.991 88.912 11.868 1.00 14.24 O ATOM 1981 CB ASN I 44 11.613 87.465 12.595 1.00 14.24 C ATOM 1982 CG ASN I 44 11.029 86.051 12.559 1.00 19.57 C ATOM 1983 OD1 ASN I 44 9.838 85.862 12.229 1.00 19.57 O ATOM 1984 ND2 ASN I 44 11.625 85.181 13.327 1.00 19.57 N ATOM 1985 N PHE I 45 9.345 88.095 9.813 1.00 19.29 N ATOM 1986 CA PHE I 45 7.961 88.329 9.310 1.00 19.29 C ATOM 1987 C PHE I 45 7.332 87.056 8.802 1.00 19.29 C ATOM 1988 O PHE I 45 8.083 86.105 8.504 1.00 19.29 O ATOM 1989 CB PHE I 45 7.982 89.310 8.128 1.00 19.29 C ATOM 1990 CG PHE I 45 8.585 90.623 8.624 1.00 19.18 C ATOM 1991 CD1 PHE I 45 9.908 90.899 8.372 1.00 19.18 C ATOM 1992 CD2 PHE I 45 7.801 91.525 9.313 1.00 19.18 C ATOM 1993 CE1 PHE I 45 10.441 92.089 8.797 1.00 19.18 C ATOM 1994 CE2 PHE I 45 8.351 92.721 9.759 1.00 19.18 C ATOM 1995 CZ PHE I 45 9.676 93.006 9.494 1.00 19.18 C ATOM 1996 N LYS I 46 6.034 86.978 8.833 1.00 25.98 N ATOM 1997 CA LYS I 46 5.381 85.715 8.517 1.00 25.98 C ATOM 1998 C LYS I 46 5.105 85.600 7.028 1.00 25.98 C ATOM 1999 O LYS I 46 4.959 84.465 6.516 1.00 25.98 O ATOM 2000 CB LYS I 46 4.067 85.556 9.327 1.00 25.98 C ATOM 2001 CG LYS I 46 4.394 84.958 10.701 1.00 42.79 C ATOM 2002 CD LYS I 46 3.185 84.906 11.643 1.00 42.79 C ATOM 2003 CE LYS I 46 3.544 84.088 12.898 1.00 42.79 C ATOM 2004 NZ LYS I 46 2.471 84.204 13.900 1.00 42.79 N ATOM 2005 N SER I 47 5.101 86.730 6.373 1.00 19.06 N ATOM 2006 CA SER I 47 4.914 86.750 4.919 1.00 19.06 C ATOM 2007 C SER I 47 5.786 87.821 4.303 1.00 19.06 C ATOM 2008 O SER I 47 6.167 88.796 5.013 1.00 19.06 O ATOM 2009 CB SER I 47 3.422 87.046 4.580 1.00 19.06 C ATOM 2010 OG SER I 47 3.219 88.443 4.737 1.00 15.23 O ATOM 2011 N ALA I 48 6.048 87.672 3.021 1.00 18.88 N ATOM 2012 CA ALA I 48 6.809 88.724 2.315 1.00 18.88 C ATOM 2013 C ALA I 48 6.102 90.080 2.362 1.00 18.88 C ATOM 2014 O ALA I 48 6.752 91.166 2.383 1.00 18.88 O ATOM 2015 CB ALA I 48 6.893 88.283 0.871 1.00 18.88 C ATOM 2016 N GLU I 49 4.784 90.025 2.336 1.00 22.72 N ATOM 2017 CA GLU I 49 4.025 91.290 2.256 1.00 22.72 C ATOM 2018 C GLU I 49 4.212 92.109 3.528 1.00 22.72 C ATOM 2019 O GLU I 49 4.495 93.336 3.426 1.00 22.72 O ATOM 2020 CB GLU I 49 2.497 91.024 2.036 1.00 22.72 C ATOM 2021 CG GLU I 49 2.126 90.409 0.673 1.00 46.22 C ATOM 2022 CD GLU I 49 2.693 88.997 0.545 1.00 46.22 C ATOM 2023 OE1 GLU I 49 2.715 88.238 1.552 1.00 46.22 O ATOM 2024 OE2 GLU I 49 2.979 88.521 -0.592 1.00 46.22 O ATOM 2025 N ASP I 50 4.146 91.393 4.677 1.00 26.75 N ATOM 2026 CA ASP I 50 4.383 92.031 6.006 1.00 26.75 C ATOM 2027 C ASP I 50 5.754 92.668 6.072 1.00 26.75 C ATOM 2028 O ASP I 50 5.890 93.846 6.477 1.00 26.75 O ATOM 2029 CB ASP I 50 4.319 91.099 7.240 1.00 26.75 C ATOM 2030 CG ASP I 50 2.892 90.686 7.610 1.00 29.21 C ATOM 2031 OD1 ASP I 50 1.884 91.244 7.107 1.00 29.21 O ATOM 2032 OD2 ASP I 50 2.730 89.613 8.232 1.00 29.21 O ATOM 2033 N CYS I 51 6.706 91.888 5.629 1.00 25.41 N ATOM 2034 CA CYS I 51 8.097 92.325 5.571 1.00 25.41 C ATOM 2035 C CYS I 51 8.328 93.551 4.684 1.00 25.41 C ATOM 2036 O CYS I 51 8.948 94.552 5.152 1.00 25.41 O ATOM 2037 CB CYS I 51 8.957 91.141 5.108 1.00 25.41 C ATOM 2038 SG CYS I 51 10.694 91.534 4.911 1.00 22.89 S ATOM 2039 N MET I 52 7.732 93.522 3.486 1.00 19.96 N ATOM 2040 CA MET I 52 7.929 94.691 2.617 1.00 19.96 C ATOM 2041 C MET I 52 7.295 95.919 3.262 1.00 19.96 C ATOM 2042 O MET I 52 7.857 97.032 3.158 1.00 19.96 O ATOM 2043 CB MET I 52 7.294 94.474 1.237 1.00 19.96 C ATOM 2044 CG MET I 52 7.958 93.363 0.405 1.00 48.55 C ATOM 2045 SD MET I 52 9.650 93.753 -0.059 1.00 48.55 S ATOM 2046 CE MET I 52 9.384 95.367 -0.826 1.00 48.55 C ATOM 2047 N ARG I 53 6.138 95.734 3.894 1.00 25.77 N ATOM 2048 CA ARG I 53 5.410 96.869 4.521 1.00 25.77 C ATOM 2049 C ARG I 53 6.171 97.515 5.673 1.00 25.77 C ATOM 2050 O ARG I 53 6.279 98.764 5.759 1.00 25.77 O ATOM 2051 CB ARG I 53 4.011 96.425 4.985 1.00 25.77 C ATOM 2052 CG ARG I 53 3.031 97.536 5.399 1.00 30.09 C ATOM 2053 CD ARG I 53 1.543 97.049 5.230 1.00 30.09 C ATOM 2054 NE ARG I 53 1.341 95.934 6.126 1.00 30.09 N ATOM 2055 CZ ARG I 53 1.045 94.689 5.804 1.00 30.09 C ATOM 2056 NH1 ARG I 53 0.834 94.340 4.568 1.00 30.09 N ATOM 2057 NH2 ARG I 53 1.096 93.765 6.740 1.00 30.09 N ATOM 2058 N THR I 54 6.793 96.691 6.473 1.00 26.49 N ATOM 2059 CA THR I 54 7.563 97.173 7.630 1.00 26.49 C ATOM 2060 C THR I 54 8.981 97.661 7.347 1.00 26.49 C ATOM 2061 O THR I 54 9.357 98.727 7.872 1.00 26.49 O ATOM 2062 CB THR I 54 7.647 96.077 8.660 1.00 26.49 C ATOM 2063 OG1 THR I 54 6.299 95.628 8.876 1.00 20.54 O ATOM 2064 CG2 THR I 54 8.351 96.606 9.935 1.00 20.54 C ATOM 2065 N CYS I 55 9.715 96.930 6.542 1.00 26.31 N ATOM 2066 CA CYS I 55 11.115 97.211 6.280 1.00 26.31 C ATOM 2067 C CYS I 55 11.470 97.765 4.911 1.00 26.31 C ATOM 2068 O CYS I 55 12.614 98.257 4.796 1.00 26.31 O ATOM 2069 CB CYS I 55 11.921 95.948 6.547 1.00 26.31 C ATOM 2070 SG CYS I 55 11.988 95.565 8.294 1.00 27.61 S ATOM 2071 N GLY I 56 10.662 97.446 3.894 1.00 34.87 N ATOM 2072 CA GLY I 56 11.031 97.646 2.472 1.00 34.87 C ATOM 2073 C GLY I 56 11.204 99.125 2.180 1.00 34.87 C ATOM 2074 O GLY I 56 10.277 99.897 2.514 1.00 34.87 O ATOM 2075 N GLY I 57 12.438 99.554 1.982 1.00 39.44 N ATOM 2076 CA GLY I 57 12.745 100.992 2.049 1.00 39.44 C ATOM 2077 C GLY I 57 13.840 101.255 3.080 1.00 39.44 C ATOM 2078 O GLY I 57 14.028 102.421 3.509 0.00 0.00 O ATOM 2079 N ALA I 58 14.537 100.183 3.487 1.00 46.57 N ATOM 2080 CA ALA I 58 15.637 100.284 4.482 1.00 46.57 C ATOM 2081 C ALA I 58 17.018 100.129 3.860 1.00 46.57 C ATOM 2082 O ALA I 58 18.050 100.382 4.546 1.00 46.57 O ATOM 2083 CB ALA I 58 15.521 99.255 5.631 1.00 46.57 C ATOM 2084 OXT ALA I 58 17.125 99.711 2.672 1.00 46.65 O TER 2085 ALA I 58 HETATM 2086 CA CA E 462 6.326 59.439 2.555 0.50 14.17 CA HETATM 2087 O HOH E 401 11.822 64.932 15.453 1.00 15.66 O HETATM 2088 O HOH E 402 21.349 65.697 21.825 1.00 17.85 O HETATM 2089 O HOH E 403 19.871 75.111 18.175 1.00 17.40 O HETATM 2090 O HOH E 405 12.822 57.840 18.688 1.00 17.62 O HETATM 2091 O HOH E 406 7.705 63.774 21.418 1.00 19.08 O HETATM 2092 O HOH E 407 10.537 72.280 29.370 1.00 29.89 O HETATM 2093 O HOH E 408 12.279 73.030 27.338 1.00 29.14 O HETATM 2094 O HOH E 409 4.215 57.213 12.216 1.00 18.03 O HETATM 2095 O HOH E 410 11.396 65.636 12.773 1.00 11.90 O HETATM 2096 O HOH E 411 22.885 55.738 7.645 1.00 34.78 O HETATM 2097 O HOH E 412 15.074 55.874 7.510 1.00 22.36 O HETATM 2098 O HOH E 414 21.854 71.483 20.855 1.00 17.21 O HETATM 2099 O HOH E 415 25.180 72.251 20.113 1.00 14.73 O HETATM 2100 O HOH E 416 17.535 69.467 21.777 1.00 15.15 O HETATM 2101 O HOH E 422 6.622 79.752 16.928 1.00 31.82 O HETATM 2102 O HOH E 425 6.831 80.340 20.782 1.00 23.85 O HETATM 2103 O HOH E 426 9.216 85.030 20.232 1.00 37.48 O HETATM 2104 O HOH E 429 22.382 62.118 10.736 1.00 19.42 O HETATM 2105 O HOH E 430 17.522 64.359 10.628 1.00 15.03 O HETATM 2106 O HOH E 431 9.626 54.984 11.114 1.00 29.56 O HETATM 2107 O HOH E 434 5.449 59.640 10.133 1.00 21.74 O HETATM 2108 O HOH E 435 6.925 57.193 10.895 1.00 28.61 O HETATM 2109 O HOH E 436 -5.915 54.218 7.189 1.00 43.80 O HETATM 2110 O HOH E 437 -4.722 60.270 4.754 1.00 24.58 O HETATM 2111 O HOH E 438 -13.522 73.719 21.412 1.00 39.51 O HETATM 2112 O HOH E 439 3.490 78.706 21.366 1.00 33.97 O HETATM 2113 O HOH E 440 29.880 68.598 14.284 1.00 37.26 O HETATM 2114 O HOH E 441 3.927 69.020 36.104 1.00 42.35 O HETATM 2115 O HOH E 442 6.277 70.346 35.936 1.00 46.75 O HETATM 2116 O HOH E 445 25.223 66.346 21.922 1.00 18.45 O HETATM 2117 O HOH E 447 -5.505 59.086 29.320 1.00 46.87 O HETATM 2118 O HOH E 448 -8.150 65.308 8.563 1.00 23.10 O HETATM 2119 O HOH E 456 25.030 63.881 10.144 1.00 33.14 O HETATM 2120 O HOH E 457 5.682 66.721 6.120 1.00 18.89 O HETATM 2121 O HOH E 463 -6.045 74.229 12.746 1.00 41.58 O HETATM 2122 O HOH E 465 0.517 55.055 28.012 1.00 41.28 O HETATM 2123 O HOH E 466 9.328 54.450 33.178 1.00 29.94 O HETATM 2124 O HOH E 469 29.247 68.599 8.788 1.00 44.61 O HETATM 2125 O HOH E 470 23.806 56.862 17.216 1.00 24.24 O HETATM 2126 O HOH E 473 20.456 66.634 32.280 1.00 23.98 O HETATM 2127 O HOH E 475 10.199 75.012 36.966 1.00 36.82 O HETATM 2128 O HOH E 476 31.791 63.242 24.762 1.00 35.41 O HETATM 2129 O HOH E 477 11.188 62.405 31.430 1.00 19.26 O HETATM 2130 O HOH E 479 -4.413 72.310 30.998 1.00 35.71 O HETATM 2131 O HOH E 481 7.355 57.364 3.239 1.00 18.23 O HETATM 2132 O HOH E 483 10.812 48.826 15.279 1.00 34.60 O HETATM 2133 O HOH E 487 -3.778 53.698 4.497 1.00 48.23 O HETATM 2134 O HOH E 489 7.689 51.015 35.152 1.00 40.20 O HETATM 2135 O HOH E 491 32.401 71.559 18.179 1.00 43.28 O HETATM 2136 O HOH E 495 14.029 67.055 6.009 1.00 23.16 O HETATM 2137 O HOH E 498 20.381 74.431 11.340 1.00 24.58 O HETATM 2138 O HOH E 499 11.161 85.932 23.559 1.00 37.65 O HETATM 2139 O HOH E 502 22.036 76.056 14.758 1.00 33.67 O HETATM 2140 O HOH E 514 13.871 61.466 32.617 1.00 30.26 O HETATM 2141 O HOH E 515 18.100 76.459 5.689 1.00 30.31 O HETATM 2142 O HOH E 516 6.342 54.642 10.239 1.00 26.43 O HETATM 2143 O HOH E 519 1.405 66.605 35.525 1.00 34.25 O HETATM 2144 O HOH E 520 -3.783 62.003 35.423 1.00 28.85 O HETATM 2145 O HOH E 522 9.082 69.252 3.839 1.00 25.09 O HETATM 2146 O HOH E 523 0.159 55.708 25.480 1.00 45.10 O HETATM 2147 O HOH E 524 -2.879 54.671 24.916 1.00 42.14 O HETATM 2148 O HOH E 526 5.617 79.821 33.171 1.00 36.92 O HETATM 2149 O HOH E 527 1.776 55.854 32.589 1.00 41.07 O HETATM 2150 O HOH E 528 20.668 54.588 35.865 1.00 44.88 O HETATM 2151 O HOH E 529 15.127 54.762 5.014 1.00 33.37 O HETATM 2152 O HOH E 530 29.058 70.200 30.953 1.00 32.94 O HETATM 2153 O HOH E 531 13.016 74.862 38.104 1.00 36.97 O HETATM 2154 O HOH E 534 9.345 82.771 21.864 1.00 36.52 O HETATM 2155 O HOH E 540 20.401 52.343 28.515 1.00 50.08 O HETATM 2156 O HOH E 541 27.935 69.122 23.511 1.00 42.19 O HETATM 2157 O HOH E 542 -6.231 69.416 31.599 1.00 42.26 O HETATM 2158 O HOH E 543 12.460 55.143 30.534 1.00 35.78 O HETATM 2159 O HOH E 544 29.104 65.708 12.980 1.00 39.17 O HETATM 2160 O HOH E 545 25.617 57.709 15.020 1.00 36.14 O HETATM 2161 O HOH E 547 13.407 50.951 16.422 1.00 40.86 O HETATM 2162 O HOH E 549 5.645 64.440 4.229 1.00 23.87 O HETATM 2163 O HOH E 550 -3.213 73.482 14.713 1.00 43.43 O HETATM 2164 O HOH E 551 -4.634 56.814 5.173 1.00 43.60 O HETATM 2165 O HOH E 552 -5.550 62.530 3.323 1.00 33.28 O HETATM 2166 O HOH E 554 1.490 70.149 34.577 1.00 34.11 O HETATM 2167 O HOH E 555 1.338 80.304 28.398 1.00 47.80 O HETATM 2168 O HOH E 556 -9.748 67.657 33.721 1.00 39.95 O HETATM 2169 O HOH E 559 4.951 61.498 2.141 1.00 21.10 O HETATM 2170 O HOH E 560 4.812 63.778 0.726 1.00 35.04 O HETATM 2171 O HOH E 561 6.869 53.612 4.073 1.00 33.79 O HETATM 2172 O HOH E 562 26.054 68.959 21.154 1.00 28.52 O HETATM 2173 O HOH E 563 2.226 77.920 7.244 1.00 45.25 O HETATM 2174 O HOH E 566 25.057 74.549 14.923 1.00 37.53 O HETATM 2175 O HOH E 570 5.629 79.395 7.207 1.00 38.79 O HETATM 2176 O HOH E 571 -6.431 57.310 8.310 1.00 39.58 O HETATM 2177 O HOH E 572 -5.165 76.553 20.133 1.00 43.32 O HETATM 2178 O HOH E 573 28.241 68.139 11.168 1.00 41.94 O HETATM 2179 O HOH E 574 20.478 65.714 4.479 1.00 38.99 O HETATM 2180 O HOH E 575 30.266 71.809 29.124 1.00 36.77 O HETATM 2181 O HOH E 576 22.818 76.932 36.160 1.00 40.29 O HETATM 2182 O HOH E 577 16.812 70.202 36.330 1.00 37.41 O HETATM 2183 O HOH E 582 12.522 52.701 18.978 1.00 41.46 O HETATM 2184 O HOH E 583 16.254 51.632 13.538 1.00 47.93 O HETATM 2185 O HOH E 585 -12.070 58.654 15.273 1.00 40.02 O HETATM 2186 O HOH E 591 21.842 79.182 19.079 1.00 45.44 O HETATM 2187 O HOH E 592 20.320 61.814 4.072 1.00 35.20 O HETATM 2188 O HOH E 593 13.427 52.835 2.180 1.00 41.05 O HETATM 2189 O HOH E 594 23.422 73.565 11.280 1.00 30.35 O HETATM 2190 O HOH E 595 31.217 75.048 21.646 1.00 38.30 O HETATM 2191 O HOH E 597 9.391 50.456 18.059 1.00 32.98 O HETATM 2192 O HOH E 598 5.556 77.389 15.507 1.00 42.41 O HETATM 2193 O HOH E 599 -6.182 64.513 5.352 1.00 43.01 O HETATM 2194 O HOH E 601 14.756 48.622 7.532 1.00 44.41 O HETATM 2195 O HOH E 602 -0.383 78.718 10.053 1.00 41.73 O HETATM 2196 O HOH E 603 0.711 80.940 12.327 1.00 28.01 O HETATM 2197 O HOH E 604 10.887 55.716 8.835 1.00 26.70 O HETATM 2198 O HOH E 605 0.373 70.514 3.378 1.00 38.03 O HETATM 2199 O HOH E 606 24.755 65.291 6.285 1.00 42.47 O HETATM 2200 O HOH E 607 13.535 69.281 8.034 1.00 40.39 O HETATM 2201 O HOH E 608 11.738 48.380 8.365 1.00 40.67 O HETATM 2202 O HOH E 609 -0.965 81.029 14.432 1.00 39.18 O HETATM 2203 O HOH E 611 17.488 52.261 16.108 1.00 42.04 O HETATM 2204 O HOH E 612 -5.678 74.874 17.848 1.00 42.51 O HETATM 2205 O HOH E 613 30.621 62.468 19.191 1.00 41.77 O HETATM 2206 O HOH E 614 6.383 51.344 19.684 1.00 40.76 O HETATM 2207 O HOH E 615 -9.941 60.977 24.372 1.00 39.99 O HETATM 2208 O HOH E 616 15.783 79.050 30.308 1.00 40.85 O HETATM 2209 O HOH I 400 14.413 79.423 17.938 1.00 10.48 O HETATM 2210 O HOH I 404 14.247 85.973 14.373 1.00 15.22 O HETATM 2211 O HOH I 413 15.154 74.563 4.947 1.00 29.90 O HETATM 2212 O HOH I 417 15.541 87.646 12.636 1.00 17.94 O HETATM 2213 O HOH I 419 14.978 99.166 16.494 1.00 43.29 O HETATM 2214 O HOH I 420 15.574 93.284 17.669 1.00 17.42 O HETATM 2215 O HOH I 421 4.599 85.648 1.506 1.00 26.05 O HETATM 2216 O HOH I 423 15.375 84.223 -0.036 0.50 14.31 O HETATM 2217 O HOH I 427 13.737 100.993 18.597 1.00 21.05 O HETATM 2218 O HOH I 428 -0.061 91.845 4.655 1.00 35.15 O HETATM 2219 O HOH I 450 7.822 83.060 18.013 1.00 30.32 O HETATM 2220 O HOH I 452 18.977 86.476 21.397 1.00 35.72 O HETATM 2221 O HOH I 455 8.041 95.199 15.517 1.00 35.79 O HETATM 2222 O HOH I 501 4.579 88.994 10.075 1.00 29.20 O HETATM 2223 O HOH I 503 20.500 77.872 16.438 1.00 30.44 O HETATM 2224 O HOH I 505 19.427 91.798 6.950 1.00 31.25 O HETATM 2225 O HOH I 507 20.679 88.399 14.629 1.00 36.22 O HETATM 2226 O HOH I 508 18.810 83.824 22.805 1.00 46.34 O HETATM 2227 O HOH I 511 4.494 80.376 13.390 1.00 41.42 O HETATM 2228 O HOH I 512 9.236 88.737 14.834 1.00 42.56 O HETATM 2229 O HOH I 532 20.734 82.825 12.720 1.00 40.61 O HETATM 2230 O HOH I 533 22.456 82.081 17.753 1.00 46.52 O HETATM 2231 O HOH I 536 7.667 84.991 15.906 1.00 32.34 O HETATM 2232 O HOH I 537 5.603 80.910 9.864 1.00 29.93 O HETATM 2233 O HOH I 538 18.344 79.747 7.527 1.00 29.18 O HETATM 2234 O HOH I 564 12.977 98.079 -0.177 1.00 40.65 O HETATM 2235 O HOH I 565 21.129 81.458 15.345 1.00 33.32 O HETATM 2236 O HOH I 567 19.680 82.706 5.775 1.00 43.75 O HETATM 2237 O HOH I 568 16.197 87.333 20.719 1.00 29.86 O HETATM 2238 O HOH I 569 10.197 90.110 -0.892 1.00 36.77 O HETATM 2239 O HOH I 587 19.689 82.395 9.199 1.00 40.92 O HETATM 2240 O HOH I 589 16.924 89.889 13.215 1.00 26.68 O HETATM 2241 O HOH I 590 16.394 92.524 14.232 1.00 37.99 O HETATM 2242 O HOH I 600 21.913 95.255 6.522 1.00 45.81 O HETATM 2243 O HOH I 610 6.149 82.396 16.078 1.00 42.45 O CONECT 48 1007 CONECT 185 298 CONECT 298 185 CONECT 385 2086 CONECT 397 2086 CONECT 421 2086 CONECT 461 2086 CONECT 811 1521 CONECT 853 1327 CONECT 1007 48 CONECT 1084 1190 CONECT 1190 1084 CONECT 1265 1422 CONECT 1327 853 CONECT 1422 1265 CONECT 1521 811 CONECT 1673 2070 CONECT 1740 1932 CONECT 1872 2038 CONECT 1932 1740 CONECT 2038 1872 CONECT 2070 1673 CONECT 2086 385 397 421 461 CONECT 2086 2131 2169 CONECT 2131 2086 CONECT 2169 2086 MASTER 513 1 1 4 2 0 2 6 2241 2 26 23 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2ptc
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
beta-trypsin
Ligand Name
58-mer Synthetic construct trypsin inhibitor
EC.Number
E.C.3.4.21.4
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=60fM
Release Year
1983
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry. 1972 Aug 1; 11(16):2967-77
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):
P00974
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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