Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 24-OCT-92 1SMF TITLE STUDIES ON AN ARTIFICIAL TRYPSIN INHIBITOR PEPTIDE DERIVED FROM THE TITLE 2 MUNG BEAN INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRYPSIN; COMPND 3 CHAIN: E; COMPND 4 EC: 3.4.21.4; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR; COMPND 8 CHAIN: I; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 TISSUE: PANCREAS; SOURCE 6 MOL_ID: 2 KEYWDS PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR Q.HUANG,Y.LI,S.ZHANG,S.LIU,Y.TANG,C.QI REVDAT 7 28-JUN-17 1SMF 1 DBREF REVDAT 6 13-JUL-11 1SMF 1 VERSN REVDAT 5 25-AUG-09 1SMF 1 SOURCE REVDAT 4 24-FEB-09 1SMF 1 VERSN REVDAT 3 01-APR-03 1SMF 1 JRNL REVDAT 2 15-JAN-95 1SMF 1 JRNL REVDAT 1 31-JUL-94 1SMF 0 JRNL AUTH Y.LI,Q.HUANG,S.ZHANG,S.LIU,C.CHI,Y.TANG JRNL TITL STUDIES ON AN ARTIFICIAL TRYPSIN INHIBITOR PEPTIDE DERIVED JRNL TITL 2 FROM THE MUNG BEAN TRYPSIN INHIBITOR: CHEMICAL SYNTHESIS, JRNL TITL 3 REFOLDING, AND CRYSTALLOGRAPHIC ANALYSIS OF ITS COMPLEX WITH JRNL TITL 4 TRYPSIN. JRNL REF J.BIOCHEM.(TOKYO) V. 116 18 1994 JRNL REFN ISSN 0021-924X JRNL PMID 7798176 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL 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) : 0.190 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 : 1694 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 83 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) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 2.710 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 15.10 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 1SMF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000176429. 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
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
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.71 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z 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 31.61500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.77000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.81000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 34.77000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 31.61500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.81000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1090 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9210 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, I REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU I 1 REMARK 465 PRO I 2 REMARK 465 CYS I 3 REMARK 465 CYS I 4 REMARK 465 ASP I 5 REMARK 465 SER I 6 REMARK 465 CYS I 7 REMARK 465 ARG I 8 REMARK 465 HIS I 18 REMARK 465 CYS I 19 REMARK 465 ALA I 20 REMARK 465 ASN I 21 REMARK 465 ILE I 22 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HD22 ASN E 48 H GLN E 50 1.31 REMARK 500 HZ3 LYS I 11 H2 HOH E 248 1.33 REMARK 500 HD21 ASN E 100 HD22 ASN E 179 1.34 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 ASN E 25 CA - CB - CG ANGL. DEV. = 13.8 DEGREES REMARK 500 LYS E 60 CB - CG - CD ANGL. DEV. = -20.0 DEGREES REMARK 500 ARG E 66 NH1 - CZ - NH2 ANGL. DEV. = -8.0 DEGREES REMARK 500 ARG E 66 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG E 66 NE - CZ - NH2 ANGL. DEV. = -4.8 DEGREES REMARK 500 LEU E 67 CA - CB - CG ANGL. DEV. = 16.3 DEGREES REMARK 500 CYS I 17 CA - C - O ANGL. DEV. = 39.8 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 ASP E 71 -66.90 -129.69 REMARK 500 ASN E 115 -136.31 -168.37 REMARK 500 SER E 214 -69.73 -128.72 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 ARG E 66 0.26 SIDE CHAIN REMARK 500 ARG E 117 0.18 SIDE CHAIN 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 0 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU E 70 OE1 REMARK 620 2 ASN E 72 O 82.5 REMARK 620 3 VAL E 75 O 154.1 81.8 REMARK 620 4 GLU E 80 OE2 107.9 157.6 94.3 REMARK 620 5 HOH E 251 O 75.0 92.8 85.3 108.9 REMARK 620 6 HOH E 277 O 81.8 77.7 114.5 84.1 155.9 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 0 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN I OF BOWMAN-BIRK TYPE REMARK 800 TRYPSIN INHIBITOR REMARK 999 REMARK 999 SEQUENCE REMARK 999 BOWMAN-BIRK INHIBITOR IS A SYNTHESIZED PEPTIDE BASED ON REMARK 999 MIMIC MUNG BEAN TRYPSIN INHIBITOR LYSINE FRAGMENT. THE REMARK 999 SEQUENCE GIVEN BELOW IS THE CORRECTED SEQUENCE OF LI, Y. L. REMARK 999 CHI, C. W. (SCIENCE IN CHINA, B24, 42, 1994). THE SEQUENCE REMARK 999 DIFFERS FROM THAT OF SWISS-PROT ENTRY IBB_PHAAU AT THE REMARK 999 FOLLOWING POSITIONS: REMARK 999 REMARK 999 SWISS-PROT RESIDUE PDB SEQRES REMARK 999 REMARK 999 NAME NUMBER NAME CHAIN SEQ REMARK 999 LYS 22 ILE I 13 REMARK 999 GLN 25 GLU I 16 DBREF 1SMF E 16 245 UNP P00760 TRY1_BOVIN 21 243 DBREF 1SMF I 1 22 UNP P01062 IBB_VIGRR 10 31 SEQADV 1SMF ARG I 8 UNP P01062 ASP 17 CONFLICT 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 22 GLU PRO CYS CYS ASP SER CYS ARG CYS THR LYS SER ILE SEQRES 2 I 22 PRO PRO GLU CYS HIS CYS ALA ASN ILE HET CA E 0 1 HETNAM CA CALCIUM ION FORMUL 3 CA CA 2+ FORMUL 4 HOH *83(H2 O) HELIX 1 H1 SER E 164 PRO E 173 1 10 HELIX 2 H2 TYR E 234 ASN E 245 1 12 SHEET 1 A 7 TYR E 20 THR E 21 0 SHEET 2 A 7 LYS E 156 PRO E 161 -1 N CYS E 157 O TYR E 20 SHEET 3 A 7 GLN E 135 GLY E 140 -1 N CYS E 136 O ALA E 160 SHEET 4 A 7 PRO E 198 CYS E 201 -1 O PRO E 198 N SER E 139 SHEET 5 A 7 LYS E 204 TRP E 215 -1 O LYS E 204 N CYS E 201 SHEET 6 A 7 GLY E 226 LYS E 230 -1 N VAL E 227 O TRP E 215 SHEET 7 A 7 MET E 180 ALA E 183 -1 O PHE E 181 N TYR E 228 SHEET 1 B 7 GLN E 30 ASN E 34 0 SHEET 2 B 7 HIS E 40 ASN E 48 -1 N PHE E 41 O LEU E 33 SHEET 3 B 7 TRP E 51 SER E 54 -1 O TRP E 51 N ILE E 47 SHEET 4 B 7 MET E 104 LEU E 108 -1 O MET E 104 N SER E 54 SHEET 5 B 7 GLN E 81 VAL E 90 -1 N SER E 86 O LYS E 107 SHEET 6 B 7 GLN E 64 LEU E 67 -1 N VAL E 65 O ILE E 83 SHEET 7 B 7 GLN E 30 ASN E 34 -1 O SER E 32 N ARG E 66 SSBOND 1 CYS E 22 CYS E 157 1555 1555 2.01 SSBOND 2 CYS E 42 CYS E 58 1555 1555 2.03 SSBOND 3 CYS E 128 CYS E 232 1555 1555 2.03 SSBOND 4 CYS E 136 CYS E 201 1555 1555 2.03 SSBOND 5 CYS E 168 CYS E 182 1555 1555 2.04 SSBOND 6 CYS E 191 CYS E 220 1555 1555 2.03 SSBOND 7 CYS I 9 CYS I 17 1555 1555 2.03 LINK CA CA E 0 OE1 GLU E 70 1555 1555 2.49 LINK CA CA E 0 O ASN E 72 1555 1555 2.39 LINK CA CA E 0 O VAL E 75 1555 1555 2.20 LINK CA CA E 0 OE2 GLU E 80 1555 1555 2.47 LINK CA CA E 0 O HOH E 251 1555 1555 2.37 LINK CA CA E 0 O HOH E 277 1555 1555 2.39 CISPEP 1 ILE I 13 PRO I 14 0 -5.29 SITE 1 AC1 6 GLU E 70 ASN E 72 VAL E 75 GLU E 80 SITE 2 AC1 6 HOH E 251 HOH E 277 SITE 1 AC2 18 HIS E 40 PHE E 41 HIS E 57 TYR E 151 SITE 2 AC2 18 ASP E 189 SER E 190 CYS E 191 GLN E 192 SITE 3 AC2 18 GLY E 193 ASP E 194 SER E 195 SER E 214 SITE 4 AC2 18 TRP E 215 GLY E 216 HOH E 248 HOH E 296 SITE 5 AC2 18 HOH I 23 HOH I 24 CRYST1 63.230 63.620 69.540 90.00 90.00 90.00 P 21 21 21 4 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 0.015815 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015718 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014380 0.00000 ATOM 1 N ILE E 16 12.663 -5.055 78.921 1.00 2.00 N ATOM 2 CA ILE E 16 12.339 -5.118 77.468 1.00 4.10 C ATOM 3 C ILE E 16 10.844 -5.513 77.309 1.00 4.64 C ATOM 4 O ILE E 16 10.492 -6.631 77.669 1.00 6.62 O ATOM 5 CB ILE E 16 13.276 -6.178 76.799 1.00 2.00 C ATOM 6 CG1 ILE E 16 14.750 -5.771 76.900 1.00 2.00 C ATOM 7 CG2 ILE E 16 12.914 -6.332 75.370 1.00 4.83 C ATOM 8 CD1 ILE E 16 15.291 -4.656 76.055 1.00 3.12 C ATOM 9 H1 ILE E 16 12.026 -4.405 79.413 1.00 0.00 H ATOM 10 H2 ILE E 16 12.561 -5.994 79.366 1.00 0.00 H ATOM 11 H3 ILE E 16 13.648 -4.741 79.075 1.00 0.00 H ATOM 12 N VAL E 17 9.937 -4.656 76.838 1.00 2.00 N ATOM 13 CA VAL E 17 8.538 -4.970 76.522 1.00 5.70 C ATOM 14 C VAL E 17 8.422 -5.568 75.070 1.00 4.24 C ATOM 15 O VAL E 17 9.057 -5.103 74.131 1.00 3.84 O ATOM 16 CB VAL E 17 7.688 -3.635 76.640 1.00 7.48 C ATOM 17 CG1 VAL E 17 6.229 -3.966 76.411 1.00 6.96 C ATOM 18 CG2 VAL E 17 7.728 -3.027 78.014 1.00 7.42 C ATOM 19 H VAL E 17 10.251 -3.764 76.605 1.00 0.00 H ATOM 20 N GLY E 18 7.669 -6.636 74.839 1.00 9.07 N ATOM 21 CA GLY E 18 7.480 -7.265 73.533 1.00 6.18 C ATOM 22 C GLY E 18 8.705 -7.959 72.955 1.00 6.39 C ATOM 23 O GLY E 18 8.801 -8.054 71.733 1.00 10.18 O ATOM 24 H GLY E 18 7.250 -7.054 75.608 1.00 0.00 H ATOM 25 N GLY E 19 9.628 -8.419 73.789 1.00 4.33 N ATOM 26 CA GLY E 19 10.849 -9.037 73.320 1.00 4.11 C ATOM 27 C GLY E 19 10.774 -10.523 73.453 1.00 4.82 C ATOM 28 O GLY E 19 9.681 -11.077 73.635 1.00 9.23 O ATOM 29 H GLY E 19 9.505 -8.328 74.746 1.00 0.00 H ATOM 30 N TYR E 20 11.909 -11.197 73.362 1.00 5.53 N ATOM 31 CA TYR E 20 11.934 -12.643 73.424 1.00 2.00 C ATOM 32 C TYR E 20 13.063 -13.064 74.353 1.00 3.34 C ATOM 33 O TYR E 20 13.934 -12.249 74.613 1.00 2.99 O ATOM 34 CB TYR E 20 12.124 -13.197 71.986 1.00 4.94 C ATOM 35 CG TYR E 20 13.333 -12.734 71.183 1.00 2.00 C ATOM 36 CD1 TYR E 20 13.322 -11.586 70.414 1.00 2.00 C ATOM 37 CD2 TYR E 20 14.497 -13.454 71.255 1.00 2.00 C ATOM 38 CE1 TYR E 20 14.460 -11.189 69.753 1.00 2.00 C ATOM 39 CE2 TYR E 20 15.623 -13.061 70.603 1.00 2.00 C ATOM 40 CZ TYR E 20 15.606 -11.932 69.859 1.00 3.53 C ATOM 41 OH TYR E 20 16.761 -11.557 69.202 1.00 8.53 O ATOM 42 H TYR E 20 12.749 -10.702 73.260 1.00 0.00 H ATOM 43 HH TYR E 20 16.695 -10.671 68.862 1.00 0.00 H ATOM 44 N THR E 21 13.083 -14.260 74.922 1.00 3.82 N ATOM 45 CA THR E 21 14.180 -14.719 75.743 1.00 5.85 C ATOM 46 C THR E 21 15.376 -14.911 74.849 1.00 3.10 C ATOM 47 O THR E 21 15.318 -15.751 73.959 1.00 6.72 O ATOM 48 CB THR E 21 13.771 -16.039 76.398 1.00 3.85 C ATOM 49 OG1 THR E 21 12.712 -15.716 77.298 1.00 6.20 O ATOM 50 CG2 THR E 21 14.873 -16.722 77.180 1.00 6.34 C ATOM 51 H THR E 21 12.325 -14.859 74.793 1.00 0.00 H ATOM 52 HG1 THR E 21 12.464 -16.576 77.671 1.00 0.00 H ATOM 53 N CYS E 22 16.435 -14.192 75.137 1.00 2.00 N ATOM 54 CA CYS E 22 17.661 -14.325 74.371 1.00 2.00 C ATOM 55 C CYS E 22 18.229 -15.723 74.246 1.00 7.19 C ATOM 56 O CYS E 22 18.611 -16.092 73.142 1.00 4.77 O ATOM 57 CB CYS E 22 18.738 -13.483 74.972 1.00 2.00 C ATOM 58 SG CYS E 22 18.311 -11.733 75.096 1.00 2.00 S ATOM 59 H CYS E 22 16.434 -13.559 75.889 1.00 0.00 H ATOM 60 N GLY E 23 18.305 -16.462 75.353 1.00 7.08 N ATOM 61 CA GLY E 23 19.059 -17.698 75.361 1.00 10.55 C ATOM 62 C GLY E 23 20.361 -17.476 76.123 1.00 13.96 C ATOM 63 O GLY E 23 21.060 -16.489 75.893 1.00 11.62 O ATOM 64 H GLY E 23 17.934 -16.149 76.201 1.00 0.00 H ATOM 65 N ALA E 24 20.766 -18.388 76.998 1.00 13.21 N ATOM 66 CA ALA E 24 21.965 -18.202 77.797 1.00 12.98 C ATOM 67 C ALA E 24 23.228 -18.040 76.968 1.00 13.85 C ATOM 68 O ALA E 24 23.417 -18.780 75.999 1.00 18.78 O ATOM 69 CB ALA E 24 22.096 -19.395 78.698 1.00 13.81 C ATOM 70 H ALA E 24 20.216 -19.182 77.130 1.00 0.00 H ATOM 71 N ASN E 25 24.107 -17.104 77.320 1.00 19.78 N ATOM 72 CA ASN E 25 25.405 -16.854 76.641 1.00 24.69 C ATOM 73 C ASN E 25 25.171 -16.247 75.261 1.00 18.81 C ATOM 74 O ASN E 25 26.173 -15.993 74.592 1.00 26.70 O ATOM 75 CB ASN E 25 26.315 -18.111 76.301 1.00 43.47 C ATOM 76 CG ASN E 25 26.883 -19.155 77.297 1.00 54.68 C ATOM 77 OD1 ASN E 25 26.452 -19.332 78.439 1.00 57.74 O ATOM 78 ND2 ASN E 25 27.865 -19.995 76.950 1.00 57.52 N ATOM 79 H ASN E 25 23.862 -16.518 78.067 1.00 0.00 H ATOM 80 HD21 ASN E 25 28.143 -20.593 77.672 1.00 0.00 H ATOM 81 HD22 ASN E 25 28.194 -19.986 76.030 1.00 0.00 H ATOM 82 N THR E 26 23.965 -15.943 74.762 1.00 10.80 N ATOM 83 CA THR E 26 23.822 -15.463 73.385 1.00 7.20 C ATOM 84 C THR E 26 24.214 -13.985 73.217 1.00 8.53 C ATOM 85 O THR E 26 24.278 -13.485 72.095 1.00 8.09 O ATOM 86 CB THR E 26 22.363 -15.637 72.899 1.00 7.83 C ATOM 87 OG1 THR E 26 21.519 -14.921 73.800 1.00 4.18 O ATOM 88 CG2 THR E 26 21.914 -17.075 72.886 1.00 5.03 C ATOM 89 H THR E 26 23.127 -16.057 75.262 1.00 0.00 H ATOM 90 HG1 THR E 26 21.678 -13.982 73.690 1.00 0.00 H ATOM 91 N VAL E 27 24.342 -13.219 74.316 1.00 6.51 N ATOM 92 CA VAL E 27 24.683 -11.785 74.301 1.00 5.53 C ATOM 93 C VAL E 27 25.821 -11.669 75.312 1.00 4.00 C ATOM 94 O VAL E 27 25.628 -11.134 76.402 1.00 2.00 O ATOM 95 CB VAL E 27 23.452 -10.932 74.739 1.00 2.00 C ATOM 96 CG1 VAL E 27 23.751 -9.469 74.627 1.00 2.00 C ATOM 97 CG2 VAL E 27 22.266 -11.281 73.854 1.00 2.00 C ATOM 98 H VAL E 27 24.120 -13.608 75.192 1.00 0.00 H ATOM 99 N PRO E 28 27.039 -12.168 75.008 1.00 2.82 N ATOM 100 CA PRO E 28 28.129 -12.334 76.001 1.00 2.57 C ATOM 101 C PRO E 28 28.758 -11.029 76.530 1.00 2.63 C ATOM 102 O PRO E 28 29.582 -11.037 77.449 1.00 2.48 O ATOM 103 CB PRO E 28 29.112 -13.284 75.253 1.00 2.00 C ATOM 104 CG PRO E 28 28.918 -12.988 73.801 1.00 2.00 C ATOM 105 CD PRO E 28 27.466 -12.664 73.666 1.00 2.00 C ATOM 106 N TYR E 29 28.364 -9.890 75.940 1.00 2.73 N ATOM 107 CA TYR E 29 28.867 -8.567 76.352 1.00 6.71 C ATOM 108 C TYR E 29 27.910 -7.874 77.322 1.00 5.68 C ATOM 109 O TYR E 29 28.268 -6.849 77.907 1.00 6.20 O ATOM 110 CB TYR E 29 29.111 -7.682 75.082 1.00 2.00 C ATOM 111 CG TYR E 29 27.944 -7.624 74.119 1.00 2.00 C ATOM 112 CD1 TYR E 29 26.920 -6.704 74.298 1.00 2.00 C ATOM 113 CD2 TYR E 29 27.850 -8.525 73.063 1.00 2.94 C ATOM 114 CE1 TYR E 29 25.830 -6.702 73.470 1.00 4.44 C ATOM 115 CE2 TYR E 29 26.753 -8.528 72.218 1.00 2.00 C ATOM 116 CZ TYR E 29 25.743 -7.607 72.423 1.00 5.74 C ATOM 117 OH TYR E 29 24.605 -7.562 71.647 1.00 2.00 O ATOM 118 H TYR E 29 27.733 -9.957 75.201 1.00 0.00 H ATOM 119 HH TYR E 29 24.141 -6.786 71.952 1.00 0.00 H ATOM 120 N GLN E 30 26.676 -8.394 77.466 1.00 5.00 N ATOM 121 CA GLN E 30 25.705 -7.821 78.386 1.00 2.00 C ATOM 122 C GLN E 30 26.157 -7.958 79.863 1.00 6.18 C ATOM 123 O GLN E 30 26.539 -9.091 80.249 1.00 2.00 O ATOM 124 CB GLN E 30 24.398 -8.530 78.175 1.00 2.00 C ATOM 125 CG GLN E 30 23.318 -8.060 79.161 1.00 6.01 C ATOM 126 CD GLN E 30 22.639 -6.710 78.871 1.00 6.72 C ATOM 127 OE1 GLN E 30 22.544 -5.794 79.693 1.00 4.38 O ATOM 128 NE2 GLN E 30 22.103 -6.585 77.668 1.00 2.00 N ATOM 129 H GLN E 30 26.428 -9.211 76.987 1.00 0.00 H ATOM 130 HE21 GLN E 30 21.606 -5.758 77.488 1.00 0.00 H ATOM 131 HE22 GLN E 30 22.200 -7.295 77.007 1.00 0.00 H ATOM 132 N VAL E 31 26.226 -6.860 80.652 1.00 2.00 N ATOM 133 CA VAL E 31 26.430 -6.991 82.097 1.00 2.00 C ATOM 134 C VAL E 31 25.215 -6.470 82.865 1.00 2.00 C ATOM 135 O VAL E 31 24.340 -5.774 82.333 1.00 2.00 O ATOM 136 CB VAL E 31 27.699 -6.246 82.690 1.00 5.25 C ATOM 137 CG1 VAL E 31 28.886 -6.690 81.854 1.00 5.59 C ATOM 138 CG2 VAL E 31 27.565 -4.750 82.758 1.00 5.46 C ATOM 139 H VAL E 31 26.058 -5.974 80.266 1.00 0.00 H ATOM 140 N SER E 32 25.109 -6.939 84.090 1.00 4.95 N ATOM 141 CA SER E 32 24.135 -6.469 85.075 1.00 2.00 C ATOM 142 C SER E 32 24.875 -5.660 86.154 1.00 4.61 C ATOM 143 O SER E 32 25.940 -6.047 86.662 1.00 2.00 O ATOM 144 CB SER E 32 23.467 -7.658 85.681 1.00 2.00 C ATOM 145 OG SER E 32 22.589 -7.333 86.729 1.00 4.09 O ATOM 146 H SER E 32 25.738 -7.627 84.393 1.00 0.00 H ATOM 147 HG SER E 32 22.523 -8.175 87.225 1.00 0.00 H ATOM 148 N LEU E 33 24.352 -4.475 86.457 1.00 2.00 N ATOM 149 CA LEU E 33 24.918 -3.696 87.513 1.00 2.62 C ATOM 150 C LEU E 33 24.032 -4.049 88.710 1.00 3.10 C ATOM 151 O LEU E 33 22.775 -4.068 88.698 1.00 2.39 O ATOM 152 CB LEU E 33 24.888 -2.212 87.111 1.00 2.00 C ATOM 153 CG LEU E 33 25.693 -1.810 85.845 1.00 6.32 C ATOM 154 CD1 LEU E 33 25.827 -0.304 85.826 1.00 2.80 C ATOM 155 CD2 LEU E 33 27.081 -2.484 85.832 1.00 6.11 C ATOM 156 H LEU E 33 23.575 -4.149 85.980 1.00 0.00 H ATOM 157 N ASN E 34 24.763 -4.453 89.724 1.00 2.70 N ATOM 158 CA ASN E 34 24.106 -4.898 90.952 1.00 6.53 C ATOM 159 C ASN E 34 24.521 -4.168 92.255 1.00 4.00 C ATOM 160 O ASN E 34 25.719 -3.933 92.468 1.00 2.00 O ATOM 161 CB ASN E 34 24.352 -6.421 91.074 1.00 5.36 C ATOM 162 CG ASN E 34 23.568 -7.072 92.220 1.00 7.80 C ATOM 163 OD1 ASN E 34 23.964 -7.045 93.387 1.00 11.23 O ATOM 164 ND2 ASN E 34 22.483 -7.763 91.949 1.00 2.00 N ATOM 165 H ASN E 34 25.739 -4.399 89.709 1.00 0.00 H ATOM 166 HD21 ASN E 34 22.016 -8.208 92.689 1.00 0.00 H ATOM 167 HD22 ASN E 34 22.228 -7.814 91.009 1.00 0.00 H ATOM 168 N SER E 37 23.554 -3.796 93.104 1.00 2.00 N ATOM 169 CA SER E 37 23.808 -3.251 94.448 1.00 4.98 C ATOM 170 C SER E 37 22.895 -3.979 95.475 1.00 6.34 C ATOM 171 O SER E 37 22.090 -3.383 96.190 1.00 2.00 O ATOM 172 CB SER E 37 23.517 -1.747 94.447 1.00 2.87 C ATOM 173 OG SER E 37 22.210 -1.491 93.935 1.00 7.31 O ATOM 174 H SER E 37 22.615 -3.845 92.838 1.00 0.00 H ATOM 175 HG SER E 37 22.182 -0.549 94.023 1.00 0.00 H ATOM 176 N GLY E 38 22.967 -5.311 95.521 1.00 4.23 N ATOM 177 CA GLY E 38 22.040 -6.112 96.299 1.00 2.00 C ATOM 178 C GLY E 38 20.767 -6.355 95.495 1.00 3.08 C ATOM 179 O GLY E 38 19.817 -6.970 95.998 1.00 2.51 O ATOM 180 H GLY E 38 23.641 -5.762 94.975 1.00 0.00 H ATOM 181 N TYR E 39 20.706 -5.842 94.253 1.00 2.00 N ATOM 182 CA TYR E 39 19.604 -6.013 93.278 1.00 3.10 C ATOM 183 C TYR E 39 20.140 -5.447 91.949 1.00 3.89 C ATOM 184 O TYR E 39 21.155 -4.718 91.907 1.00 2.00 O ATOM 185 CB TYR E 39 18.269 -5.251 93.716 1.00 3.91 C ATOM 186 CG TYR E 39 18.410 -3.751 93.941 1.00 4.03 C ATOM 187 CD1 TYR E 39 19.040 -3.303 95.081 1.00 6.49 C ATOM 188 CD2 TYR E 39 18.013 -2.811 93.011 1.00 6.80 C ATOM 189 CE1 TYR E 39 19.299 -1.976 95.289 1.00 7.40 C ATOM 190 CE2 TYR E 39 18.245 -1.459 93.209 1.00 3.12 C ATOM 191 CZ TYR E 39 18.897 -1.058 94.348 1.00 6.75 C ATOM 192 OH TYR E 39 19.236 0.270 94.556 1.00 10.32 O ATOM 193 H TYR E 39 21.441 -5.263 93.962 1.00 0.00 H ATOM 194 HH TYR E 39 19.600 0.303 95.456 1.00 0.00 H ATOM 195 N HIS E 40 19.524 -5.930 90.869 1.00 4.78 N ATOM 196 CA HIS E 40 19.791 -5.463 89.498 1.00 3.54 C ATOM 197 C HIS E 40 19.183 -4.061 89.330 1.00 2.00 C ATOM 198 O HIS E 40 17.970 -3.962 89.512 1.00 2.96 O ATOM 199 CB HIS E 40 19.143 -6.416 88.422 1.00 2.00 C ATOM 200 CG HIS E 40 19.170 -5.848 87.029 1.00 4.81 C ATOM 201 ND1 HIS E 40 20.262 -5.880 86.178 1.00 2.00 N ATOM 202 CD2 HIS E 40 18.202 -5.114 86.413 1.00 2.00 C ATOM 203 CE1 HIS E 40 19.986 -5.187 85.103 1.00 2.00 C ATOM 204 NE2 HIS E 40 18.759 -4.735 85.246 1.00 2.00 N ATOM 205 H HIS E 40 18.805 -6.593 90.982 1.00 0.00 H ATOM 206 HD1 HIS E 40 21.164 -6.256 86.362 1.00 0.00 H ATOM 207 HE2 HIS E 40 18.336 -4.117 84.616 1.00 0.00 H ATOM 208 N PHE E 41 19.914 -3.022 88.926 1.00 2.00 N ATOM 209 CA PHE E 41 19.318 -1.701 88.736 1.00 2.00 C ATOM 210 C PHE E 41 19.652 -1.088 87.352 1.00 3.25 C ATOM 211 O PHE E 41 19.002 -0.139 86.927 1.00 2.00 O ATOM 212 CB PHE E 41 19.795 -0.792 89.881 1.00 2.00 C ATOM 213 CG PHE E 41 21.260 -0.472 89.858 1.00 2.00 C ATOM 214 CD1 PHE E 41 21.718 0.620 89.147 1.00 2.00 C ATOM 215 CD2 PHE E 41 22.156 -1.241 90.588 1.00 2.32 C ATOM 216 CE1 PHE E 41 23.048 0.951 89.158 1.00 2.00 C ATOM 217 CE2 PHE E 41 23.501 -0.914 90.611 1.00 2.23 C ATOM 218 CZ PHE E 41 23.955 0.189 89.890 1.00 3.79 C ATOM 219 H PHE E 41 20.876 -3.152 88.770 1.00 0.00 H ATOM 220 N CYS E 42 20.681 -1.549 86.653 1.00 2.00 N ATOM 221 CA CYS E 42 21.026 -1.058 85.331 1.00 2.00 C ATOM 222 C CYS E 42 21.793 -2.151 84.627 1.00 2.00 C ATOM 223 O CYS E 42 22.239 -3.104 85.287 1.00 4.61 O ATOM 224 CB CYS E 42 21.902 0.178 85.419 1.00 2.00 C ATOM 225 SG CYS E 42 20.931 1.703 85.581 1.00 2.00 S ATOM 226 H CYS E 42 21.276 -2.229 87.033 1.00 0.00 H ATOM 227 N GLY E 43 21.810 -2.127 83.316 1.00 3.86 N ATOM 228 CA GLY E 43 22.692 -3.005 82.561 1.00 2.00 C ATOM 229 C GLY E 43 23.946 -2.239 82.149 1.00 2.00 C ATOM 230 O GLY E 43 24.173 -1.120 82.620 1.00 2.00 O ATOM 231 H GLY E 43 21.230 -1.516 82.829 1.00 0.00 H ATOM 232 N GLY E 44 24.748 -2.850 81.300 1.00 2.00 N ATOM 233 CA GLY E 44 25.908 -2.220 80.717 1.00 2.00 C ATOM 234 C GLY E 44 26.510 -3.153 79.658 1.00 2.00 C ATOM 235 O GLY E 44 25.989 -4.242 79.377 1.00 2.00 O ATOM 236 H GLY E 44 24.522 -3.766 81.026 1.00 0.00 H ATOM 237 N SER E 45 27.631 -2.761 79.084 1.00 2.00 N ATOM 238 CA SER E 45 28.298 -3.510 78.032 1.00 2.00 C ATOM 239 C SER E 45 29.773 -3.669 78.275 1.00 2.00 C ATOM 240 O SER E 45 30.431 -2.667 78.581 1.00 3.40 O ATOM 241 CB SER E 45 28.140 -2.812 76.696 1.00 2.00 C ATOM 242 OG SER E 45 26.801 -2.750 76.277 1.00 2.00 O ATOM 243 H SER E 45 28.013 -1.902 79.355 1.00 0.00 H ATOM 244 HG SER E 45 26.427 -3.632 76.350 1.00 0.00 H ATOM 245 N LEU E 46 30.313 -4.856 78.126 1.00 2.00 N ATOM 246 CA LEU E 46 31.734 -5.038 78.355 1.00 2.00 C ATOM 247 C LEU E 46 32.413 -4.688 77.018 1.00 6.42 C ATOM 248 O LEU E 46 32.083 -5.275 75.971 1.00 2.00 O ATOM 249 CB LEU E 46 31.975 -6.492 78.780 1.00 2.35 C ATOM 250 CG LEU E 46 33.398 -6.918 79.094 1.00 2.81 C ATOM 251 CD1 LEU E 46 33.848 -6.360 80.431 1.00 2.00 C ATOM 252 CD2 LEU E 46 33.439 -8.442 79.064 1.00 4.97 C ATOM 253 H LEU E 46 29.759 -5.633 77.901 1.00 0.00 H ATOM 254 N ILE E 47 33.268 -3.662 77.024 1.00 4.99 N ATOM 255 CA ILE E 47 33.930 -3.251 75.804 1.00 3.46 C ATOM 256 C ILE E 47 35.347 -3.753 75.834 1.00 4.41 C ATOM 257 O ILE E 47 35.977 -3.763 74.792 1.00 9.71 O ATOM 258 CB ILE E 47 33.950 -1.712 75.596 1.00 3.82 C ATOM 259 CG1 ILE E 47 34.567 -0.984 76.762 1.00 3.47 C ATOM 260 CG2 ILE E 47 32.502 -1.265 75.313 1.00 2.00 C ATOM 261 CD1 ILE E 47 34.759 0.475 76.380 1.00 5.29 C ATOM 262 H ILE E 47 33.485 -3.212 77.869 1.00 0.00 H ATOM 263 N ASN E 48 35.926 -4.161 76.959 1.00 5.73 N ATOM 264 CA ASN E 48 37.215 -4.848 76.927 1.00 4.66 C ATOM 265 C ASN E 48 37.342 -5.572 78.243 1.00 4.83 C ATOM 266 O ASN E 48 36.450 -5.433 79.069 1.00 6.78 O ATOM 267 CB ASN E 48 38.390 -3.855 76.696 1.00 9.63 C ATOM 268 CG ASN E 48 38.646 -2.823 77.774 1.00 13.78 C ATOM 269 OD1 ASN E 48 38.738 -1.629 77.555 1.00 17.91 O ATOM 270 ND2 ASN E 48 38.910 -3.198 78.989 1.00 12.30 N ATOM 271 H ASN E 48 35.446 -4.049 77.807 1.00 0.00 H ATOM 272 HD21 ASN E 48 39.044 -2.461 79.618 1.00 0.00 H ATOM 273 HD22 ASN E 48 39.012 -4.138 79.152 1.00 0.00 H ATOM 274 N SER E 49 38.408 -6.272 78.590 1.00 3.15 N ATOM 275 CA SER E 49 38.380 -7.118 79.798 1.00 6.86 C ATOM 276 C SER E 49 38.276 -6.383 81.138 1.00 6.46 C ATOM 277 O SER E 49 38.005 -6.961 82.181 1.00 5.44 O ATOM 278 CB SER E 49 39.637 -8.016 79.833 1.00 4.69 C ATOM 279 OG SER E 49 40.798 -7.184 79.809 1.00 8.15 O ATOM 280 H SER E 49 39.220 -6.228 78.049 1.00 0.00 H ATOM 281 HG SER E 49 41.041 -6.803 78.953 1.00 0.00 H ATOM 282 N GLN E 50 38.516 -5.097 81.135 1.00 6.02 N ATOM 283 CA GLN E 50 38.494 -4.349 82.354 1.00 9.57 C ATOM 284 C GLN E 50 37.519 -3.179 82.290 1.00 4.61 C ATOM 285 O GLN E 50 37.463 -2.446 83.280 1.00 2.17 O ATOM 286 CB GLN E 50 39.917 -3.902 82.599 1.00 12.34 C ATOM 287 CG GLN E 50 40.094 -3.791 84.087 1.00 23.29 C ATOM 288 CD GLN E 50 41.528 -3.771 84.601 1.00 27.73 C ATOM 289 OE1 GLN E 50 41.745 -3.804 85.820 1.00 30.77 O ATOM 290 NE2 GLN E 50 42.542 -3.657 83.737 1.00 26.08 N ATOM 291 H GLN E 50 38.715 -4.635 80.325 1.00 0.00 H ATOM 292 HE21 GLN E 50 43.428 -3.710 84.146 1.00 0.00 H ATOM 293 HE22 GLN E 50 42.378 -3.528 82.785 1.00 0.00 H ATOM 294 N TRP E 51 36.780 -2.956 81.194 1.00 2.00 N ATOM 295 CA TRP E 51 35.947 -1.762 81.192 1.00 5.33 C ATOM 296 C TRP E 51 34.579 -2.073 80.657 1.00 3.04 C ATOM 297 O TRP E 51 34.444 -2.860 79.707 1.00 4.64 O ATOM 298 CB TRP E 51 36.567 -0.631 80.336 1.00 2.46 C ATOM 299 CG TRP E 51 37.750 0.007 80.939 1.00 2.00 C ATOM 300 CD1 TRP E 51 39.030 -0.416 80.818 1.00 2.62 C ATOM 301 CD2 TRP E 51 37.768 1.231 81.651 1.00 2.71 C ATOM 302 NE1 TRP E 51 39.874 0.478 81.403 1.00 2.00 N ATOM 303 CE2 TRP E 51 39.131 1.488 81.911 1.00 2.47 C ATOM 304 CE3 TRP E 51 36.815 2.154 82.079 1.00 2.00 C ATOM 305 CZ2 TRP E 51 39.607 2.600 82.559 1.00 2.00 C ATOM 306 CZ3 TRP E 51 37.292 3.288 82.732 1.00 8.08 C ATOM 307 CH2 TRP E 51 38.660 3.489 82.957 1.00 2.25 C ATOM 308 H TRP E 51 36.741 -3.572 80.433 1.00 0.00 H ATOM 309 HE1 TRP E 51 40.852 0.438 81.394 1.00 0.00 H ATOM 310 N VAL E 52 33.624 -1.444 81.334 1.00 2.00 N ATOM 311 CA VAL E 52 32.207 -1.508 80.996 1.00 2.13 C ATOM 312 C VAL E 52 31.639 -0.094 80.611 1.00 2.00 C ATOM 313 O VAL E 52 32.023 0.939 81.201 1.00 3.63 O ATOM 314 CB VAL E 52 31.485 -2.113 82.220 1.00 2.00 C ATOM 315 CG1 VAL E 52 29.978 -2.132 82.025 1.00 5.72 C ATOM 316 CG2 VAL E 52 32.002 -3.505 82.448 1.00 2.00 C ATOM 317 H VAL E 52 33.885 -0.882 82.098 1.00 0.00 H ATOM 318 N VAL E 53 30.712 -0.008 79.646 1.00 2.00 N ATOM 319 CA VAL E 53 30.046 1.238 79.293 1.00 2.00 C ATOM 320 C VAL E 53 28.602 1.105 79.747 1.00 2.00 C ATOM 321 O VAL E 53 27.984 0.058 79.533 1.00 2.00 O ATOM 322 CB VAL E 53 30.091 1.507 77.764 1.00 4.80 C ATOM 323 CG1 VAL E 53 29.432 2.851 77.461 1.00 4.06 C ATOM 324 CG2 VAL E 53 31.529 1.708 77.299 1.00 3.40 C ATOM 325 H VAL E 53 30.457 -0.819 79.162 1.00 0.00 H ATOM 326 N SER E 54 28.136 2.129 80.458 1.00 3.08 N ATOM 327 CA SER E 54 26.764 2.193 80.937 1.00 2.00 C ATOM 328 C SER E 54 26.285 3.633 80.854 1.00 2.00 C ATOM 329 O SER E 54 26.995 4.493 80.299 1.00 2.00 O ATOM 330 CB SER E 54 26.731 1.671 82.354 1.00 2.00 C ATOM 331 OG SER E 54 25.381 1.481 82.769 1.00 2.00 O ATOM 332 H SER E 54 28.705 2.905 80.625 1.00 0.00 H ATOM 333 HG SER E 54 24.947 2.308 82.960 1.00 0.00 H ATOM 334 N ALA E 55 25.090 3.900 81.389 1.00 2.00 N ATOM 335 CA ALA E 55 24.521 5.234 81.371 1.00 2.00 C ATOM 336 C ALA E 55 24.960 6.009 82.603 1.00 5.29 C ATOM 337 O ALA E 55 24.948 5.404 83.690 1.00 2.00 O ATOM 338 CB ALA E 55 23.025 5.155 81.363 1.00 2.00 C ATOM 339 H ALA E 55 24.543 3.158 81.703 1.00 0.00 H ATOM 340 N ALA E 56 25.312 7.303 82.457 1.00 4.02 N ATOM 341 CA ALA E 56 25.624 8.194 83.574 1.00 2.00 C ATOM 342 C ALA E 56 24.483 8.215 84.587 1.00 2.00 C ATOM 343 O ALA E 56 24.753 8.207 85.785 1.00 2.00 O ATOM 344 CB ALA E 56 25.841 9.605 83.094 1.00 2.00 C ATOM 345 H ALA E 56 25.261 7.693 81.555 1.00 0.00 H ATOM 346 N HIS E 57 23.190 8.137 84.235 1.00 2.00 N ATOM 347 CA HIS E 57 22.194 8.216 85.316 1.00 3.06 C ATOM 348 C HIS E 57 22.164 6.932 86.161 1.00 5.45 C ATOM 349 O HIS E 57 21.354 6.826 87.055 1.00 6.37 O ATOM 350 CB HIS E 57 20.811 8.501 84.748 1.00 2.00 C ATOM 351 CG HIS E 57 20.162 7.413 83.989 1.00 2.00 C ATOM 352 ND1 HIS E 57 20.094 7.332 82.635 1.00 2.00 N ATOM 353 CD2 HIS E 57 19.552 6.318 84.481 1.00 3.62 C ATOM 354 CE1 HIS E 57 19.481 6.233 82.278 1.00 2.00 C ATOM 355 NE2 HIS E 57 19.143 5.603 83.395 1.00 6.90 N ATOM 356 H HIS E 57 22.963 8.092 83.280 1.00 0.00 H ATOM 357 HD1 HIS E 57 20.544 7.935 81.984 1.00 0.00 H ATOM 358 HE2 HIS E 57 18.857 4.679 83.464 1.00 0.00 H ATOM 359 N CYS E 58 22.930 5.891 85.829 1.00 2.00 N ATOM 360 CA CYS E 58 23.005 4.635 86.601 1.00 5.63 C ATOM 361 C CYS E 58 24.060 4.762 87.676 1.00 3.21 C ATOM 362 O CYS E 58 24.101 3.881 88.514 1.00 2.66 O ATOM 363 CB CYS E 58 23.370 3.421 85.727 1.00 2.00 C ATOM 364 SG CYS E 58 22.037 3.059 84.554 1.00 2.82 S ATOM 365 H CYS E 58 23.473 5.961 85.022 1.00 0.00 H ATOM 366 N TYR E 59 24.863 5.823 87.697 1.00 6.19 N ATOM 367 CA TYR E 59 25.911 5.997 88.685 1.00 7.36 C ATOM 368 C TYR E 59 25.440 5.870 90.127 1.00 5.59 C ATOM 369 O TYR E 59 24.440 6.466 90.519 1.00 2.00 O ATOM 370 CB TYR E 59 26.552 7.359 88.488 1.00 5.90 C ATOM 371 CG TYR E 59 27.627 7.593 89.517 1.00 5.51 C ATOM 372 CD1 TYR E 59 28.853 6.942 89.459 1.00 6.69 C ATOM 373 CD2 TYR E 59 27.327 8.380 90.618 1.00 5.64 C ATOM 374 CE1 TYR E 59 29.746 7.066 90.514 1.00 8.62 C ATOM 375 CE2 TYR E 59 28.196 8.492 91.662 1.00 2.00 C ATOM 376 CZ TYR E 59 29.403 7.844 91.615 1.00 4.23 C ATOM 377 OH TYR E 59 30.208 7.911 92.745 1.00 7.81 O ATOM 378 H TYR E 59 24.770 6.541 87.033 1.00 0.00 H ATOM 379 HH TYR E 59 29.818 8.518 93.368 1.00 0.00 H ATOM 380 N LYS E 60 26.222 5.146 90.919 1.00 8.36 N ATOM 381 CA LYS E 60 25.991 5.065 92.355 1.00 10.68 C ATOM 382 C LYS E 60 27.213 4.406 92.952 1.00 12.72 C ATOM 383 O LYS E 60 28.079 3.881 92.250 1.00 12.41 O ATOM 384 CB LYS E 60 24.744 4.251 92.676 1.00 7.93 C ATOM 385 CG LYS E 60 24.671 2.726 92.683 1.00 9.61 C ATOM 386 CD LYS E 60 23.164 2.755 92.587 1.00 15.65 C ATOM 387 CE LYS E 60 22.361 1.760 93.362 1.00 13.41 C ATOM 388 NZ LYS E 60 20.971 1.748 92.840 1.00 18.37 N ATOM 389 H LYS E 60 26.967 4.620 90.550 1.00 0.00 H ATOM 390 HZ1 LYS E 60 20.518 2.688 92.847 1.00 0.00 H ATOM 391 HZ2 LYS E 60 20.906 1.506 91.828 1.00 0.00 H ATOM 392 HZ3 LYS E 60 20.333 1.103 93.357 1.00 0.00 H ATOM 393 N SER E 61 27.343 4.583 94.240 1.00 12.65 N ATOM 394 CA SER E 61 28.460 4.013 94.934 1.00 16.86 C ATOM 395 C SER E 61 28.090 2.548 95.177 1.00 14.71 C ATOM 396 O SER E 61 26.903 2.194 95.194 1.00 16.14 O ATOM 397 CB SER E 61 28.636 4.811 96.217 1.00 19.38 C ATOM 398 OG SER E 61 29.954 4.751 96.732 1.00 26.38 O ATOM 399 H SER E 61 26.716 5.140 94.732 1.00 0.00 H ATOM 400 HG SER E 61 30.155 3.854 97.041 1.00 0.00 H ATOM 401 N GLY E 62 29.151 1.753 95.226 1.00 10.17 N ATOM 402 CA GLY E 62 29.013 0.372 95.610 1.00 14.68 C ATOM 403 C GLY E 62 28.420 -0.511 94.538 1.00 17.43 C ATOM 404 O GLY E 62 27.532 -1.313 94.848 1.00 23.83 O ATOM 405 H GLY E 62 30.044 2.114 95.050 1.00 0.00 H ATOM 406 N ILE E 63 28.917 -0.389 93.305 1.00 13.77 N ATOM 407 CA ILE E 63 28.447 -1.216 92.205 1.00 8.20 C ATOM 408 C ILE E 63 29.248 -2.515 92.041 1.00 6.89 C ATOM 409 O ILE E 63 30.484 -2.542 91.965 1.00 6.48 O ATOM 410 CB ILE E 63 28.481 -0.352 90.879 1.00 9.43 C ATOM 411 CG1 ILE E 63 27.286 0.615 90.872 1.00 2.00 C ATOM 412 CG2 ILE E 63 28.439 -1.237 89.624 1.00 2.00 C ATOM 413 CD1 ILE E 63 27.445 1.653 89.759 1.00 2.00 C ATOM 414 H ILE E 63 29.613 0.268 93.110 1.00 0.00 H ATOM 415 N GLN E 64 28.524 -3.602 91.922 1.00 5.33 N ATOM 416 CA GLN E 64 29.162 -4.868 91.565 1.00 6.07 C ATOM 417 C GLN E 64 28.677 -5.191 90.144 1.00 4.88 C ATOM 418 O GLN E 64 27.477 -5.108 89.822 1.00 2.00 O ATOM 419 CB GLN E 64 28.752 -5.996 92.530 1.00 2.00 C ATOM 420 CG GLN E 64 29.571 -7.279 92.366 1.00 2.38 C ATOM 421 CD GLN E 64 29.021 -8.447 93.165 1.00 6.12 C ATOM 422 OE1 GLN E 64 29.690 -9.057 94.006 1.00 4.26 O ATOM 423 NE2 GLN E 64 27.769 -8.821 92.949 1.00 2.75 N ATOM 424 H GLN E 64 27.557 -3.562 92.094 1.00 0.00 H ATOM 425 HE21 GLN E 64 27.564 -9.612 93.473 1.00 0.00 H ATOM 426 HE22 GLN E 64 27.227 -8.306 92.318 1.00 0.00 H ATOM 427 N VAL E 65 29.646 -5.504 89.312 1.00 2.00 N ATOM 428 CA VAL E 65 29.388 -5.800 87.918 1.00 3.51 C ATOM 429 C VAL E 65 29.250 -7.313 87.813 1.00 2.70 C ATOM 430 O VAL E 65 30.119 -8.082 88.263 1.00 8.29 O ATOM 431 CB VAL E 65 30.559 -5.257 87.018 1.00 3.25 C ATOM 432 CG1 VAL E 65 30.269 -5.572 85.562 1.00 7.64 C ATOM 433 CG2 VAL E 65 30.704 -3.739 87.126 1.00 2.25 C ATOM 434 H VAL E 65 30.568 -5.518 89.631 1.00 0.00 H ATOM 435 N ARG E 66 28.130 -7.758 87.300 1.00 2.00 N ATOM 436 CA ARG E 66 27.944 -9.190 87.104 1.00 2.00 C ATOM 437 C ARG E 66 27.860 -9.565 85.604 1.00 2.21 C ATOM 438 O ARG E 66 26.967 -9.153 84.832 1.00 2.00 O ATOM 439 CB ARG E 66 26.681 -9.616 87.871 1.00 6.65 C ATOM 440 CG ARG E 66 26.461 -8.916 89.221 1.00 2.00 C ATOM 441 CD ARG E 66 26.265 -9.937 90.230 1.00 10.31 C ATOM 442 NE ARG E 66 25.211 -9.691 91.184 1.00 14.36 N ATOM 443 CZ ARG E 66 25.013 -10.590 92.126 1.00 13.87 C ATOM 444 NH1 ARG E 66 25.640 -10.572 93.329 1.00 18.02 N ATOM 445 NH2 ARG E 66 23.776 -11.036 92.235 1.00 9.43 N ATOM 446 H ARG E 66 27.418 -7.132 87.063 1.00 0.00 H ATOM 447 HE ARG E 66 25.170 -8.744 91.451 1.00 0.00 H ATOM 448 HH11 ARG E 66 26.148 -9.792 93.711 1.00 0.00 H ATOM 449 HH12 ARG E 66 25.428 -11.285 94.009 1.00 0.00 H ATOM 450 HH21 ARG E 66 23.140 -10.772 91.496 1.00 0.00 H ATOM 451 HH22 ARG E 66 23.499 -11.826 92.787 1.00 0.00 H ATOM 452 N LEU E 67 28.915 -10.275 85.230 1.00 2.00 N ATOM 453 CA LEU E 67 29.233 -10.765 83.880 1.00 6.41 C ATOM 454 C LEU E 67 28.784 -12.238 83.722 1.00 5.55 C ATOM 455 O LEU E 67 28.710 -13.024 84.681 1.00 5.57 O ATOM 456 CB LEU E 67 30.738 -10.770 83.595 1.00 2.91 C ATOM 457 CG LEU E 67 31.804 -9.670 83.720 1.00 4.61 C ATOM 458 CD1 LEU E 67 31.603 -8.686 82.611 1.00 5.52 C ATOM 459 CD2 LEU E 67 31.798 -9.068 85.108 1.00 6.17 C ATOM 460 H LEU E 67 29.517 -10.529 85.954 1.00 0.00 H ATOM 461 N GLY E 69 28.549 -12.623 82.487 1.00 2.00 N ATOM 462 CA GLY E 69 28.134 -13.995 82.176 1.00 7.62 C ATOM 463 C GLY E 69 26.776 -14.451 82.717 1.00 5.14 C ATOM 464 O GLY E 69 26.537 -15.646 82.806 1.00 13.06 O ATOM 465 H GLY E 69 28.613 -11.983 81.758 1.00 0.00 H ATOM 466 N GLU E 70 25.900 -13.531 83.068 1.00 2.00 N ATOM 467 CA GLU E 70 24.580 -13.811 83.621 1.00 4.34 C ATOM 468 C GLU E 70 23.476 -14.241 82.644 1.00 2.38 C ATOM 469 O GLU E 70 23.485 -13.750 81.518 1.00 2.00 O ATOM 470 CB GLU E 70 24.080 -12.556 84.327 1.00 3.78 C ATOM 471 CG GLU E 70 24.778 -12.264 85.628 1.00 6.89 C ATOM 472 CD GLU E 70 24.238 -13.157 86.743 1.00 7.99 C ATOM 473 OE1 GLU E 70 23.389 -14.046 86.490 1.00 2.00 O ATOM 474 OE2 GLU E 70 24.664 -12.914 87.895 1.00 9.38 O ATOM 475 H GLU E 70 26.110 -12.600 82.890 1.00 0.00 H ATOM 476 N ASP E 71 22.513 -15.079 82.976 1.00 2.00 N ATOM 477 CA ASP E 71 21.303 -15.249 82.185 1.00 2.72 C ATOM 478 C ASP E 71 20.155 -15.115 83.198 1.00 4.95 C ATOM 479 O ASP E 71 19.389 -14.144 83.144 1.00 7.45 O ATOM 480 CB ASP E 71 21.211 -16.619 81.487 1.00 3.10 C ATOM 481 CG ASP E 71 19.943 -16.689 80.618 1.00 4.92 C ATOM 482 OD1 ASP E 71 19.623 -15.715 79.904 1.00 8.59 O ATOM 483 OD2 ASP E 71 19.247 -17.719 80.634 1.00 3.61 O ATOM 484 H ASP E 71 22.666 -15.625 83.787 1.00 0.00 H ATOM 485 N ASN E 72 20.006 -16.044 84.134 1.00 2.45 N ATOM 486 CA ASN E 72 19.026 -15.949 85.225 1.00 3.24 C ATOM 487 C ASN E 72 19.729 -15.129 86.316 1.00 2.00 C ATOM 488 O ASN E 72 20.633 -15.633 86.970 1.00 2.00 O ATOM 489 CB ASN E 72 18.697 -17.313 85.829 1.00 2.31 C ATOM 490 CG ASN E 72 17.574 -17.227 86.847 1.00 2.70 C ATOM 491 OD1 ASN E 72 17.572 -16.466 87.813 1.00 4.01 O ATOM 492 ND2 ASN E 72 16.589 -18.067 86.700 1.00 2.00 N ATOM 493 H ASN E 72 20.539 -16.874 84.080 1.00 0.00 H ATOM 494 HD21 ASN E 72 15.842 -18.030 87.334 1.00 0.00 H ATOM 495 HD22 ASN E 72 16.674 -18.735 85.987 1.00 0.00 H ATOM 496 N ILE E 73 19.303 -13.881 86.550 1.00 3.19 N ATOM 497 CA ILE E 73 20.024 -13.059 87.521 1.00 5.94 C ATOM 498 C ILE E 73 19.751 -13.452 88.990 1.00 8.56 C ATOM 499 O ILE E 73 20.382 -12.888 89.910 1.00 2.00 O ATOM 500 CB ILE E 73 19.717 -11.533 87.396 1.00 4.73 C ATOM 501 CG1 ILE E 73 18.246 -11.284 87.322 1.00 5.49 C ATOM 502 CG2 ILE E 73 20.508 -10.973 86.238 1.00 4.75 C ATOM 503 CD1 ILE E 73 18.049 -9.789 87.369 1.00 10.80 C ATOM 504 H ILE E 73 18.547 -13.514 86.054 1.00 0.00 H ATOM 505 N ASN E 74 18.777 -14.363 89.196 1.00 9.13 N ATOM 506 CA ASN E 74 18.422 -14.770 90.559 1.00 8.93 C ATOM 507 C ASN E 74 19.014 -16.116 90.910 1.00 8.51 C ATOM 508 O ASN E 74 18.860 -16.509 92.066 1.00 8.32 O ATOM 509 CB ASN E 74 16.880 -14.829 90.748 1.00 6.57 C ATOM 510 CG ASN E 74 16.320 -13.414 90.600 1.00 11.76 C ATOM 511 OD1 ASN E 74 16.740 -12.480 91.284 1.00 10.47 O ATOM 512 ND2 ASN E 74 15.433 -13.070 89.678 1.00 10.26 N ATOM 513 H ASN E 74 18.306 -14.770 88.436 1.00 0.00 H ATOM 514 HD21 ASN E 74 15.169 -12.130 89.671 1.00 0.00 H ATOM 515 HD22 ASN E 74 15.092 -13.730 89.030 1.00 0.00 H ATOM 516 N VAL E 75 19.661 -16.846 90.008 1.00 3.87 N ATOM 517 CA VAL E 75 20.168 -18.163 90.335 1.00 3.37 C ATOM 518 C VAL E 75 21.604 -18.205 89.923 1.00 2.71 C ATOM 519 O VAL E 75 21.840 -17.617 88.876 1.00 7.21 O ATOM 520 CB VAL E 75 19.372 -19.252 89.592 1.00 4.99 C ATOM 521 CG1 VAL E 75 20.042 -20.627 89.712 1.00 5.52 C ATOM 522 CG2 VAL E 75 17.977 -19.296 90.198 1.00 4.49 C ATOM 523 H VAL E 75 19.852 -16.510 89.104 1.00 0.00 H ATOM 524 N VAL E 76 22.543 -18.779 90.658 1.00 2.00 N ATOM 525 CA VAL E 76 23.917 -19.004 90.209 1.00 5.89 C ATOM 526 C VAL E 76 23.802 -20.302 89.379 1.00 8.33 C ATOM 527 O VAL E 76 23.445 -21.390 89.862 1.00 2.20 O ATOM 528 CB VAL E 76 24.921 -19.236 91.405 1.00 4.11 C ATOM 529 CG1 VAL E 76 26.307 -19.673 90.891 1.00 2.00 C ATOM 530 CG2 VAL E 76 25.111 -17.926 92.160 1.00 4.88 C ATOM 531 H VAL E 76 22.301 -19.121 91.542 1.00 0.00 H ATOM 532 N GLU E 77 24.057 -20.206 88.103 1.00 6.41 N ATOM 533 CA GLU E 77 23.883 -21.312 87.168 1.00 3.69 C ATOM 534 C GLU E 77 25.199 -21.827 86.663 1.00 2.00 C ATOM 535 O GLU E 77 25.246 -22.899 86.060 1.00 2.00 O ATOM 536 CB GLU E 77 23.104 -20.879 85.933 1.00 3.44 C ATOM 537 CG GLU E 77 21.769 -20.279 86.288 1.00 13.96 C ATOM 538 CD GLU E 77 20.941 -19.884 85.091 1.00 13.15 C ATOM 539 OE1 GLU E 77 21.269 -18.875 84.473 1.00 14.16 O ATOM 540 OE2 GLU E 77 19.923 -20.531 84.784 1.00 14.40 O ATOM 541 H GLU E 77 24.320 -19.334 87.763 1.00 0.00 H ATOM 542 N GLY E 78 26.255 -21.044 86.776 1.00 2.00 N ATOM 543 CA GLY E 78 27.495 -21.522 86.239 1.00 5.69 C ATOM 544 C GLY E 78 28.388 -20.503 85.598 1.00 10.97 C ATOM 545 O GLY E 78 29.559 -20.442 85.999 1.00 24.10 O ATOM 546 H GLY E 78 26.190 -20.170 87.221 1.00 0.00 H ATOM 547 N ASN E 79 27.994 -19.672 84.659 1.00 2.72 N ATOM 548 CA ASN E 79 29.072 -18.898 84.021 1.00 8.99 C ATOM 549 C ASN E 79 29.365 -17.485 84.504 1.00 4.92 C ATOM 550 O ASN E 79 30.026 -16.700 83.829 1.00 3.95 O ATOM 551 CB ASN E 79 28.802 -18.887 82.524 1.00 13.01 C ATOM 552 CG ASN E 79 29.154 -20.255 81.975 1.00 19.27 C ATOM 553 OD1 ASN E 79 30.318 -20.675 81.916 1.00 21.00 O ATOM 554 ND2 ASN E 79 28.129 -20.988 81.572 1.00 22.20 N ATOM 555 H ASN E 79 27.055 -19.533 84.460 1.00 0.00 H ATOM 556 HD21 ASN E 79 28.348 -21.855 81.177 1.00 0.00 H ATOM 557 HD22 ASN E 79 27.219 -20.627 81.612 1.00 0.00 H ATOM 558 N GLU E 80 28.899 -17.179 85.696 1.00 5.16 N ATOM 559 CA GLU E 80 28.999 -15.856 86.268 1.00 7.39 C ATOM 560 C GLU E 80 30.376 -15.400 86.702 1.00 7.72 C ATOM 561 O GLU E 80 31.243 -16.223 87.030 1.00 8.43 O ATOM 562 CB GLU E 80 28.114 -15.791 87.473 1.00 11.89 C ATOM 563 CG GLU E 80 26.648 -16.037 87.212 1.00 12.65 C ATOM 564 CD GLU E 80 26.157 -17.442 87.408 1.00 9.79 C ATOM 565 OE1 GLU E 80 26.950 -18.394 87.551 1.00 12.78 O ATOM 566 OE2 GLU E 80 24.935 -17.621 87.420 1.00 9.57 O ATOM 567 H GLU E 80 28.423 -17.851 86.228 1.00 0.00 H ATOM 568 N GLN E 81 30.600 -14.098 86.703 1.00 2.65 N ATOM 569 CA GLN E 81 31.789 -13.486 87.304 1.00 2.00 C ATOM 570 C GLN E 81 31.221 -12.198 87.860 1.00 4.05 C ATOM 571 O GLN E 81 30.514 -11.472 87.147 1.00 2.00 O ATOM 572 CB GLN E 81 32.911 -13.102 86.316 1.00 2.00 C ATOM 573 CG GLN E 81 33.600 -14.280 85.643 1.00 6.94 C ATOM 574 CD GLN E 81 34.483 -13.868 84.470 1.00 11.15 C ATOM 575 OE1 GLN E 81 35.391 -13.056 84.640 1.00 10.14 O ATOM 576 NE2 GLN E 81 34.259 -14.374 83.263 1.00 8.76 N ATOM 577 H GLN E 81 29.950 -13.512 86.248 1.00 0.00 H ATOM 578 HE21 GLN E 81 34.806 -14.106 82.494 1.00 0.00 H ATOM 579 HE22 GLN E 81 33.491 -14.977 83.147 1.00 0.00 H ATOM 580 N PHE E 82 31.444 -12.078 89.165 1.00 4.86 N ATOM 581 CA PHE E 82 31.035 -10.953 89.987 1.00 5.38 C ATOM 582 C PHE E 82 32.326 -10.170 90.254 1.00 7.52 C ATOM 583 O PHE E 82 33.245 -10.717 90.878 1.00 2.92 O ATOM 584 CB PHE E 82 30.426 -11.482 91.287 1.00 3.12 C ATOM 585 CG PHE E 82 29.083 -12.161 91.186 1.00 2.19 C ATOM 586 CD1 PHE E 82 28.460 -12.439 89.981 1.00 3.45 C ATOM 587 CD2 PHE E 82 28.440 -12.559 92.343 1.00 2.00 C ATOM 588 CE1 PHE E 82 27.232 -13.103 89.940 1.00 4.74 C ATOM 589 CE2 PHE E 82 27.228 -13.228 92.312 1.00 2.70 C ATOM 590 CZ PHE E 82 26.609 -13.512 91.102 1.00 2.19 C ATOM 591 H PHE E 82 31.952 -12.788 89.620 1.00 0.00 H ATOM 592 N ILE E 83 32.435 -8.925 89.757 1.00 2.26 N ATOM 593 CA ILE E 83 33.635 -8.107 89.918 1.00 2.45 C ATOM 594 C ILE E 83 33.219 -6.726 90.385 1.00 2.00 C ATOM 595 O ILE E 83 32.278 -6.154 89.867 1.00 6.16 O ATOM 596 CB ILE E 83 34.454 -7.972 88.570 1.00 5.34 C ATOM 597 CG1 ILE E 83 34.656 -9.359 87.884 1.00 2.00 C ATOM 598 CG2 ILE E 83 35.820 -7.371 88.896 1.00 3.48 C ATOM 599 CD1 ILE E 83 35.440 -9.422 86.595 1.00 3.57 C ATOM 600 H ILE E 83 31.698 -8.575 89.209 1.00 0.00 H ATOM 601 N SER E 84 33.776 -6.213 91.468 1.00 4.80 N ATOM 602 CA SER E 84 33.497 -4.862 91.960 1.00 7.38 C ATOM 603 C SER E 84 34.061 -3.823 91.001 1.00 4.79 C ATOM 604 O SER E 84 35.166 -3.997 90.442 1.00 8.17 O ATOM 605 CB SER E 84 34.170 -4.491 93.276 1.00 8.50 C ATOM 606 OG SER E 84 34.373 -5.417 94.330 1.00 17.36 O ATOM 607 H SER E 84 34.269 -6.839 92.023 1.00 0.00 H ATOM 608 HG SER E 84 34.629 -6.299 94.032 1.00 0.00 H ATOM 609 N ALA E 85 33.321 -2.734 90.873 1.00 3.14 N ATOM 610 CA ALA E 85 33.772 -1.609 90.082 1.00 2.89 C ATOM 611 C ALA E 85 34.892 -0.943 90.874 1.00 5.70 C ATOM 612 O ALA E 85 34.806 -0.836 92.094 1.00 4.09 O ATOM 613 CB ALA E 85 32.607 -0.689 89.898 1.00 2.00 C ATOM 614 H ALA E 85 32.452 -2.676 91.330 1.00 0.00 H ATOM 615 N SER E 86 35.995 -0.629 90.245 1.00 8.27 N ATOM 616 CA SER E 86 37.093 0.119 90.845 1.00 10.50 C ATOM 617 C SER E 86 36.834 1.614 90.709 1.00 12.71 C ATOM 618 O SER E 86 37.138 2.363 91.626 1.00 14.85 O ATOM 619 CB SER E 86 38.361 -0.184 90.122 1.00 12.51 C ATOM 620 OG SER E 86 39.413 -0.356 91.041 1.00 25.18 O ATOM 621 H SER E 86 36.090 -0.938 89.328 1.00 0.00 H ATOM 622 HG SER E 86 39.197 -1.052 91.670 1.00 0.00 H ATOM 623 N LYS E 87 36.321 2.086 89.574 1.00 14.80 N ATOM 624 CA LYS E 87 36.069 3.511 89.297 1.00 14.03 C ATOM 625 C LYS E 87 34.824 3.641 88.429 1.00 10.14 C ATOM 626 O LYS E 87 34.648 2.778 87.558 1.00 7.71 O ATOM 627 CB LYS E 87 37.148 4.175 88.463 1.00 19.61 C ATOM 628 CG LYS E 87 38.525 4.462 88.996 1.00 28.48 C ATOM 629 CD LYS E 87 39.220 5.254 87.867 1.00 33.60 C ATOM 630 CE LYS E 87 39.960 6.537 88.229 1.00 33.89 C ATOM 631 NZ LYS E 87 41.149 6.214 89.054 1.00 40.03 N ATOM 632 H LYS E 87 36.116 1.449 88.852 1.00 0.00 H ATOM 633 HZ1 LYS E 87 40.808 5.729 89.910 1.00 0.00 H ATOM 634 HZ2 LYS E 87 41.779 5.598 88.504 1.00 0.00 H ATOM 635 HZ3 LYS E 87 41.636 7.098 89.306 1.00 0.00 H ATOM 636 N SER E 88 34.016 4.680 88.632 1.00 4.24 N ATOM 637 CA SER E 88 32.908 4.995 87.749 1.00 6.26 C ATOM 638 C SER E 88 33.098 6.425 87.227 1.00 6.35 C ATOM 639 O SER E 88 33.047 7.397 87.994 1.00 8.63 O ATOM 640 CB SER E 88 31.609 4.851 88.520 1.00 2.00 C ATOM 641 OG SER E 88 31.446 3.497 88.948 1.00 9.88 O ATOM 642 H SER E 88 34.125 5.245 89.422 1.00 0.00 H ATOM 643 HG SER E 88 32.120 3.200 89.554 1.00 0.00 H ATOM 644 N ILE E 89 33.409 6.562 85.946 1.00 2.00 N ATOM 645 CA ILE E 89 33.702 7.839 85.319 1.00 2.00 C ATOM 646 C ILE E 89 32.459 8.277 84.568 1.00 2.00 C ATOM 647 O ILE E 89 32.115 7.720 83.526 1.00 2.00 O ATOM 648 CB ILE E 89 34.869 7.669 84.348 1.00 2.00 C ATOM 649 CG1 ILE E 89 36.079 7.153 85.121 1.00 5.62 C ATOM 650 CG2 ILE E 89 35.127 8.987 83.637 1.00 2.00 C ATOM 651 CD1 ILE E 89 37.425 6.988 84.442 1.00 7.39 C ATOM 652 H ILE E 89 33.430 5.763 85.383 1.00 0.00 H ATOM 653 N VAL E 90 31.735 9.186 85.183 1.00 2.00 N ATOM 654 CA VAL E 90 30.573 9.796 84.566 1.00 2.00 C ATOM 655 C VAL E 90 31.127 10.872 83.646 1.00 4.17 C ATOM 656 O VAL E 90 32.131 11.538 83.987 1.00 4.45 O ATOM 657 CB VAL E 90 29.644 10.408 85.649 1.00 2.00 C ATOM 658 CG1 VAL E 90 28.572 11.285 85.034 1.00 2.00 C ATOM 659 CG2 VAL E 90 28.926 9.258 86.388 1.00 2.00 C ATOM 660 H VAL E 90 31.957 9.451 86.098 1.00 0.00 H ATOM 661 N HIS E 91 30.493 11.026 82.467 1.00 2.36 N ATOM 662 CA HIS E 91 30.923 12.055 81.511 1.00 2.00 C ATOM 663 C HIS E 91 30.905 13.409 82.240 1.00 2.00 C ATOM 664 O HIS E 91 29.840 13.785 82.725 1.00 2.00 O ATOM 665 CB HIS E 91 29.965 12.137 80.262 1.00 2.00 C ATOM 666 CG HIS E 91 30.592 13.000 79.195 1.00 3.55 C ATOM 667 ND1 HIS E 91 30.518 14.375 79.108 1.00 2.90 N ATOM 668 CD2 HIS E 91 31.377 12.590 78.143 1.00 4.57 C ATOM 669 CE1 HIS E 91 31.217 14.782 78.053 1.00 2.00 C ATOM 670 NE2 HIS E 91 31.741 13.712 77.461 1.00 3.96 N ATOM 671 H HIS E 91 29.750 10.429 82.220 1.00 0.00 H ATOM 672 HD1 HIS E 91 29.867 14.933 79.600 1.00 0.00 H ATOM 673 HE2 HIS E 91 32.203 13.698 76.574 1.00 0.00 H ATOM 674 N PRO E 92 31.978 14.221 82.283 1.00 2.00 N ATOM 675 CA PRO E 92 31.979 15.499 83.022 1.00 2.00 C ATOM 676 C PRO E 92 30.900 16.514 82.581 1.00 2.00 C ATOM 677 O PRO E 92 30.625 17.460 83.298 1.00 2.00 O ATOM 678 CB PRO E 92 33.411 15.997 82.850 1.00 2.00 C ATOM 679 CG PRO E 92 33.880 15.302 81.601 1.00 2.24 C ATOM 680 CD PRO E 92 33.317 13.920 81.762 1.00 2.00 C ATOM 681 N SER E 93 30.313 16.360 81.380 1.00 2.50 N ATOM 682 CA SER E 93 29.219 17.243 80.949 1.00 4.90 C ATOM 683 C SER E 93 27.836 16.575 80.957 1.00 2.00 C ATOM 684 O SER E 93 26.883 17.041 80.338 1.00 6.85 O ATOM 685 CB SER E 93 29.515 17.757 79.558 1.00 5.93 C ATOM 686 OG SER E 93 30.856 18.218 79.400 1.00 10.55 O ATOM 687 H SER E 93 30.630 15.641 80.828 1.00 0.00 H ATOM 688 HG SER E 93 31.514 17.716 79.869 1.00 0.00 H ATOM 689 N TYR E 94 27.715 15.452 81.629 1.00 2.97 N ATOM 690 CA TYR E 94 26.398 14.833 81.841 1.00 5.83 C ATOM 691 C TYR E 94 25.427 15.862 82.439 1.00 8.57 C ATOM 692 O TYR E 94 25.805 16.602 83.374 1.00 11.42 O ATOM 693 CB TYR E 94 26.570 13.644 82.781 1.00 2.00 C ATOM 694 CG TYR E 94 25.260 13.058 83.240 1.00 6.04 C ATOM 695 CD1 TYR E 94 24.243 12.727 82.327 1.00 2.00 C ATOM 696 CD2 TYR E 94 25.052 12.910 84.623 1.00 2.00 C ATOM 697 CE1 TYR E 94 23.039 12.268 82.810 1.00 4.42 C ATOM 698 CE2 TYR E 94 23.841 12.438 85.104 1.00 2.68 C ATOM 699 CZ TYR E 94 22.845 12.125 84.189 1.00 7.52 C ATOM 700 OH TYR E 94 21.641 11.656 84.672 1.00 4.34 O ATOM 701 H TYR E 94 28.480 15.048 82.078 1.00 0.00 H ATOM 702 HH TYR E 94 21.042 11.487 83.934 1.00 0.00 H ATOM 703 N ASN E 95 24.220 15.966 81.896 1.00 4.27 N ATOM 704 CA ASN E 95 23.249 16.868 82.477 1.00 7.01 C ATOM 705 C ASN E 95 22.057 16.000 82.847 1.00 5.36 C ATOM 706 O ASN E 95 21.337 15.499 81.984 1.00 2.56 O ATOM 707 CB ASN E 95 22.816 17.948 81.467 1.00 12.91 C ATOM 708 CG ASN E 95 21.775 18.933 82.003 1.00 16.87 C ATOM 709 OD1 ASN E 95 20.977 18.607 82.881 1.00 17.26 O ATOM 710 ND2 ASN E 95 21.680 20.140 81.473 1.00 21.52 N ATOM 711 H ASN E 95 23.997 15.433 81.099 1.00 0.00 H ATOM 712 HD21 ASN E 95 21.010 20.785 81.783 1.00 0.00 H ATOM 713 HD22 ASN E 95 22.287 20.328 80.723 1.00 0.00 H ATOM 714 N SER E 96 21.799 15.909 84.137 1.00 5.74 N ATOM 715 CA SER E 96 20.732 15.076 84.668 1.00 12.10 C ATOM 716 C SER E 96 19.337 15.536 84.282 1.00 13.29 C ATOM 717 O SER E 96 18.400 14.747 84.348 1.00 18.37 O ATOM 718 CB SER E 96 20.870 15.027 86.183 1.00 11.51 C ATOM 719 OG SER E 96 21.093 16.337 86.705 1.00 20.56 O ATOM 720 H SER E 96 22.290 16.464 84.768 1.00 0.00 H ATOM 721 HG SER E 96 21.996 16.627 86.580 1.00 0.00 H ATOM 722 N ASN E 97 19.219 16.790 83.867 1.00 11.87 N ATOM 723 CA ASN E 97 17.921 17.327 83.493 1.00 19.48 C ATOM 724 C ASN E 97 17.559 17.009 82.062 1.00 14.13 C ATOM 725 O ASN E 97 16.437 16.636 81.755 1.00 14.97 O ATOM 726 CB ASN E 97 17.865 18.851 83.662 1.00 22.94 C ATOM 727 CG ASN E 97 16.978 19.193 84.849 1.00 31.73 C ATOM 728 OD1 ASN E 97 17.382 19.039 86.009 1.00 28.39 O ATOM 729 ND2 ASN E 97 15.740 19.642 84.600 1.00 36.59 N ATOM 730 H ASN E 97 19.990 17.386 83.893 1.00 0.00 H ATOM 731 HD21 ASN E 97 15.199 19.901 85.377 1.00 0.00 H ATOM 732 HD22 ASN E 97 15.421 19.704 83.676 1.00 0.00 H ATOM 733 N THR E 98 18.496 17.218 81.179 1.00 10.61 N ATOM 734 CA THR E 98 18.234 16.971 79.785 1.00 8.15 C ATOM 735 C THR E 98 18.594 15.562 79.358 1.00 5.86 C ATOM 736 O THR E 98 18.161 15.151 78.283 1.00 10.77 O ATOM 737 CB THR E 98 19.020 17.968 78.932 1.00 7.60 C ATOM 738 OG1 THR E 98 20.425 17.762 79.148 1.00 3.99 O ATOM 739 CG2 THR E 98 18.673 19.396 79.301 1.00 5.28 C ATOM 740 H THR E 98 19.349 17.596 81.466 1.00 0.00 H ATOM 741 HG1 THR E 98 20.641 16.861 78.948 1.00 0.00 H ATOM 742 N LEU E 99 19.442 14.906 80.165 1.00 3.04 N ATOM 743 CA LEU E 99 20.074 13.592 79.954 1.00 2.52 C ATOM 744 C LEU E 99 21.035 13.652 78.784 1.00 2.91 C ATOM 745 O LEU E 99 21.428 12.653 78.160 1.00 2.00 O ATOM 746 CB LEU E 99 19.025 12.493 79.723 1.00 2.00 C ATOM 747 CG LEU E 99 18.195 12.344 81.004 1.00 5.31 C ATOM 748 CD1 LEU E 99 16.891 11.660 80.709 1.00 7.20 C ATOM 749 CD2 LEU E 99 19.042 11.607 82.043 1.00 8.40 C ATOM 750 H LEU E 99 19.651 15.328 81.021 1.00 0.00 H ATOM 751 N ASN E 100 21.452 14.872 78.480 1.00 2.00 N ATOM 752 CA ASN E 100 22.505 15.032 77.488 1.00 7.69 C ATOM 753 C ASN E 100 23.824 14.445 78.025 1.00 2.00 C ATOM 754 O ASN E 100 24.145 14.620 79.189 1.00 5.66 O ATOM 755 CB ASN E 100 22.743 16.500 77.153 1.00 5.42 C ATOM 756 CG ASN E 100 23.500 16.622 75.848 1.00 10.43 C ATOM 757 OD1 ASN E 100 24.136 17.631 75.602 1.00 14.01 O ATOM 758 ND2 ASN E 100 23.495 15.705 74.893 1.00 2.00 N ATOM 759 H ASN E 100 21.174 15.607 79.039 1.00 0.00 H ATOM 760 HD21 ASN E 100 23.948 15.990 74.090 1.00 0.00 H ATOM 761 HD22 ASN E 100 22.986 14.877 74.990 1.00 0.00 H ATOM 762 N ASN E 101 24.556 13.698 77.211 1.00 4.76 N ATOM 763 CA ASN E 101 25.829 13.067 77.556 1.00 4.08 C ATOM 764 C ASN E 101 25.685 11.996 78.636 1.00 4.92 C ATOM 765 O ASN E 101 26.507 11.893 79.588 1.00 2.00 O ATOM 766 CB ASN E 101 26.870 14.132 78.031 1.00 4.86 C ATOM 767 CG ASN E 101 27.228 15.159 76.968 1.00 3.96 C ATOM 768 OD1 ASN E 101 27.030 16.336 77.213 1.00 6.46 O ATOM 769 ND2 ASN E 101 27.902 14.884 75.846 1.00 3.49 N ATOM 770 H ASN E 101 24.217 13.563 76.310 1.00 0.00 H ATOM 771 HD21 ASN E 101 28.038 15.663 75.258 1.00 0.00 H ATOM 772 HD22 ASN E 101 28.276 14.005 75.670 1.00 0.00 H ATOM 773 N ASP E 102 24.620 11.215 78.414 1.00 2.00 N ATOM 774 CA ASP E 102 24.342 10.132 79.333 1.00 4.66 C ATOM 775 C ASP E 102 25.174 8.864 79.082 1.00 2.00 C ATOM 776 O ASP E 102 24.735 7.866 78.521 1.00 2.00 O ATOM 777 CB ASP E 102 22.845 9.789 79.291 1.00 2.00 C ATOM 778 CG ASP E 102 22.391 8.884 80.425 1.00 2.00 C ATOM 779 OD1 ASP E 102 23.103 8.688 81.425 1.00 4.23 O ATOM 780 OD2 ASP E 102 21.269 8.354 80.373 1.00 8.36 O ATOM 781 H ASP E 102 24.026 11.324 77.649 1.00 0.00 H ATOM 782 N ILE E 103 26.414 8.919 79.538 1.00 2.00 N ATOM 783 CA ILE E 103 27.364 7.811 79.360 1.00 2.27 C ATOM 784 C ILE E 103 28.334 7.887 80.549 1.00 2.46 C ATOM 785 O ILE E 103 28.661 8.991 81.049 1.00 2.45 O ATOM 786 CB ILE E 103 28.109 7.967 77.957 1.00 2.00 C ATOM 787 CG1 ILE E 103 29.149 6.853 77.721 1.00 2.00 C ATOM 788 CG2 ILE E 103 28.765 9.338 77.909 1.00 2.00 C ATOM 789 CD1 ILE E 103 29.762 6.886 76.321 1.00 2.33 C ATOM 790 H ILE E 103 26.702 9.716 80.036 1.00 0.00 H ATOM 791 N MET E 104 28.682 6.688 80.984 1.00 2.00 N ATOM 792 CA MET E 104 29.593 6.421 82.083 1.00 2.00 C ATOM 793 C MET E 104 30.419 5.186 81.739 1.00 2.00 C ATOM 794 O MET E 104 29.940 4.211 81.134 1.00 2.57 O ATOM 795 CB MET E 104 28.773 6.188 83.358 1.00 2.82 C ATOM 796 CG MET E 104 29.446 5.476 84.513 1.00 2.00 C ATOM 797 SD MET E 104 28.221 5.374 85.811 1.00 4.03 S ATOM 798 CE MET E 104 27.474 3.756 85.620 1.00 2.00 C ATOM 799 H MET E 104 28.340 5.892 80.517 1.00 0.00 H ATOM 800 N LEU E 105 31.688 5.307 82.045 1.00 2.00 N ATOM 801 CA LEU E 105 32.634 4.205 81.943 1.00 2.00 C ATOM 802 C LEU E 105 32.851 3.613 83.326 1.00 4.38 C ATOM 803 O LEU E 105 32.897 4.419 84.261 1.00 3.88 O ATOM 804 CB LEU E 105 33.980 4.699 81.428 1.00 9.35 C ATOM 805 CG LEU E 105 33.981 5.186 79.987 1.00 10.67 C ATOM 806 CD1 LEU E 105 35.308 5.816 79.634 1.00 12.46 C ATOM 807 CD2 LEU E 105 33.692 4.002 79.108 1.00 12.96 C ATOM 808 H LEU E 105 32.005 6.154 82.418 1.00 0.00 H ATOM 809 N ILE E 106 32.945 2.287 83.503 1.00 5.83 N ATOM 810 CA ILE E 106 33.239 1.670 84.773 1.00 2.00 C ATOM 811 C ILE E 106 34.516 0.827 84.614 1.00 2.02 C ATOM 812 O ILE E 106 34.637 -0.023 83.723 1.00 2.00 O ATOM 813 CB ILE E 106 32.071 0.778 85.176 1.00 3.25 C ATOM 814 CG1 ILE E 106 30.739 1.522 85.198 1.00 2.00 C ATOM 815 CG2 ILE E 106 32.406 0.211 86.545 1.00 4.28 C ATOM 816 CD1 ILE E 106 29.659 0.545 85.646 1.00 2.00 C ATOM 817 H ILE E 106 32.796 1.702 82.737 1.00 0.00 H ATOM 818 N LYS E 107 35.527 1.097 85.398 1.00 2.58 N ATOM 819 CA LYS E 107 36.705 0.247 85.405 1.00 3.61 C ATOM 820 C LYS E 107 36.482 -0.901 86.382 1.00 3.76 C ATOM 821 O LYS E 107 35.968 -0.653 87.489 1.00 2.00 O ATOM 822 CB LYS E 107 37.888 0.986 85.877 1.00 2.00 C ATOM 823 CG LYS E 107 39.078 0.254 85.363 1.00 3.39 C ATOM 824 CD LYS E 107 40.261 0.995 85.847 1.00 4.44 C ATOM 825 CE LYS E 107 41.425 0.191 85.416 1.00 10.00 C ATOM 826 NZ LYS E 107 42.607 0.730 86.119 1.00 12.19 N ATOM 827 H LYS E 107 35.447 1.867 85.987 1.00 0.00 H ATOM 828 HZ1 LYS E 107 42.736 1.741 85.844 1.00 0.00 H ATOM 829 HZ2 LYS E 107 42.495 0.547 87.134 1.00 0.00 H ATOM 830 HZ3 LYS E 107 43.397 0.192 85.736 1.00 0.00 H ATOM 831 N LEU E 108 36.829 -2.124 86.025 1.00 2.51 N ATOM 832 CA LEU E 108 36.708 -3.260 86.917 1.00 2.00 C ATOM 833 C LEU E 108 37.954 -3.339 87.786 1.00 6.87 C ATOM 834 O LEU E 108 39.078 -2.996 87.390 1.00 3.70 O ATOM 835 CB LEU E 108 36.586 -4.525 86.124 1.00 2.00 C ATOM 836 CG LEU E 108 35.354 -4.674 85.228 1.00 6.72 C ATOM 837 CD1 LEU E 108 35.379 -6.073 84.622 1.00 2.00 C ATOM 838 CD2 LEU E 108 34.073 -4.419 86.016 1.00 2.00 C ATOM 839 H LEU E 108 37.131 -2.286 85.110 1.00 0.00 H ATOM 840 N LYS E 109 37.698 -3.837 88.991 1.00 8.09 N ATOM 841 CA LYS E 109 38.757 -3.978 89.978 1.00 13.28 C ATOM 842 C LYS E 109 39.773 -4.993 89.461 1.00 11.94 C ATOM 843 O LYS E 109 40.959 -4.944 89.752 1.00 5.99 O ATOM 844 CB LYS E 109 38.155 -4.449 91.311 1.00 14.67 C ATOM 845 CG LYS E 109 39.176 -4.545 92.400 1.00 23.08 C ATOM 846 CD LYS E 109 38.607 -5.142 93.667 1.00 31.10 C ATOM 847 CE LYS E 109 37.697 -4.101 94.265 1.00 37.92 C ATOM 848 NZ LYS E 109 37.309 -4.314 95.684 1.00 42.52 N ATOM 849 H LYS E 109 36.781 -4.093 89.226 1.00 0.00 H ATOM 850 HZ1 LYS E 109 38.164 -4.355 96.271 1.00 0.00 H ATOM 851 HZ2 LYS E 109 36.741 -3.480 95.943 1.00 0.00 H ATOM 852 HZ3 LYS E 109 36.743 -5.179 95.776 1.00 0.00 H ATOM 853 N SER E 110 39.266 -5.918 88.686 1.00 12.65 N ATOM 854 CA SER E 110 40.073 -6.987 88.182 1.00 10.37 C ATOM 855 C SER E 110 39.571 -7.300 86.775 1.00 7.23 C ATOM 856 O SER E 110 38.361 -7.164 86.575 1.00 7.73 O ATOM 857 CB SER E 110 39.834 -8.061 89.188 1.00 10.84 C ATOM 858 OG SER E 110 40.874 -8.971 89.126 1.00 15.81 O ATOM 859 H SER E 110 38.335 -5.897 88.395 1.00 0.00 H ATOM 860 HG SER E 110 40.583 -9.733 89.617 1.00 0.00 H ATOM 861 N ALA E 111 40.442 -7.730 85.856 1.00 2.00 N ATOM 862 CA ALA E 111 40.026 -8.077 84.521 1.00 5.42 C ATOM 863 C ALA E 111 39.094 -9.271 84.493 1.00 4.85 C ATOM 864 O ALA E 111 39.325 -10.205 85.257 1.00 5.30 O ATOM 865 CB ALA E 111 41.256 -8.396 83.650 1.00 2.00 C ATOM 866 H ALA E 111 41.387 -7.773 86.082 1.00 0.00 H ATOM 867 N ALA E 112 38.102 -9.254 83.618 1.00 3.78 N ATOM 868 CA ALA E 112 37.278 -10.414 83.382 1.00 4.26 C ATOM 869 C ALA E 112 37.979 -11.571 82.647 1.00 11.24 C ATOM 870 O ALA E 112 39.013 -11.374 81.980 1.00 6.18 O ATOM 871 CB ALA E 112 36.126 -9.931 82.604 1.00 2.00 C ATOM 872 H ALA E 112 37.864 -8.429 83.181 1.00 0.00 H ATOM 873 N SER E 113 37.460 -12.790 82.769 1.00 11.56 N ATOM 874 CA SER E 113 37.962 -13.913 81.974 1.00 18.29 C ATOM 875 C SER E 113 37.108 -13.990 80.718 1.00 16.32 C ATOM 876 O SER E 113 35.904 -14.253 80.782 1.00 11.39 O ATOM 877 CB SER E 113 37.846 -15.249 82.698 1.00 20.00 C ATOM 878 OG SER E 113 38.558 -15.163 83.918 1.00 24.28 O ATOM 879 H SER E 113 36.750 -12.936 83.420 1.00 0.00 H ATOM 880 HG SER E 113 38.166 -14.467 84.456 1.00 0.00 H ATOM 881 N LEU E 114 37.738 -13.643 79.613 1.00 18.16 N ATOM 882 CA LEU E 114 37.017 -13.632 78.372 1.00 20.64 C ATOM 883 C LEU E 114 37.135 -15.011 77.752 1.00 24.82 C ATOM 884 O LEU E 114 38.125 -15.735 77.879 1.00 31.50 O ATOM 885 CB LEU E 114 37.590 -12.527 77.497 1.00 12.90 C ATOM 886 CG LEU E 114 37.321 -11.097 77.986 1.00 13.31 C ATOM 887 CD1 LEU E 114 37.844 -10.144 76.980 1.00 12.09 C ATOM 888 CD2 LEU E 114 35.846 -10.843 78.139 1.00 12.97 C ATOM 889 H LEU E 114 38.706 -13.515 79.617 1.00 0.00 H ATOM 890 N ASN E 115 36.023 -15.355 77.142 1.00 29.85 N ATOM 891 CA ASN E 115 35.835 -16.646 76.525 1.00 33.20 C ATOM 892 C ASN E 115 34.594 -16.704 75.652 1.00 33.30 C ATOM 893 O ASN E 115 34.357 -15.797 74.860 1.00 36.05 O ATOM 894 CB ASN E 115 35.757 -17.714 77.629 1.00 35.04 C ATOM 895 CG ASN E 115 34.894 -17.358 78.823 1.00 39.96 C ATOM 896 OD1 ASN E 115 35.424 -17.405 79.918 1.00 44.53 O ATOM 897 ND2 ASN E 115 33.619 -17.006 78.824 1.00 36.46 N ATOM 898 H ASN E 115 35.364 -14.650 77.001 1.00 0.00 H ATOM 899 HD21 ASN E 115 33.324 -16.818 79.752 1.00 0.00 H ATOM 900 HD22 ASN E 115 33.077 -16.915 78.036 1.00 0.00 H ATOM 901 N SER E 116 33.782 -17.735 75.690 1.00 35.36 N ATOM 902 CA SER E 116 32.635 -17.853 74.803 1.00 36.61 C ATOM 903 C SER E 116 31.472 -17.142 75.472 1.00 35.84 C ATOM 904 O SER E 116 30.914 -16.202 74.942 1.00 38.56 O ATOM 905 CB SER E 116 32.328 -19.339 74.564 1.00 38.83 C ATOM 906 OG SER E 116 33.459 -20.191 74.771 1.00 43.02 O ATOM 907 H SER E 116 34.023 -18.529 76.196 1.00 0.00 H ATOM 908 HG SER E 116 33.349 -20.967 74.185 1.00 0.00 H ATOM 909 N ARG E 117 31.188 -17.563 76.702 1.00 34.48 N ATOM 910 CA ARG E 117 30.066 -17.014 77.452 1.00 32.91 C ATOM 911 C ARG E 117 30.197 -15.570 77.926 1.00 26.94 C ATOM 912 O ARG E 117 29.194 -14.946 78.276 1.00 27.98 O ATOM 913 CB ARG E 117 29.783 -17.900 78.665 1.00 42.82 C ATOM 914 CG ARG E 117 30.939 -18.466 79.458 1.00 54.63 C ATOM 915 CD ARG E 117 31.102 -19.937 79.055 1.00 60.95 C ATOM 916 NE ARG E 117 32.261 -20.096 78.187 1.00 68.99 N ATOM 917 CZ ARG E 117 33.008 -21.204 78.159 1.00 72.74 C ATOM 918 NH1 ARG E 117 32.487 -22.409 77.897 1.00 75.65 N ATOM 919 NH2 ARG E 117 34.305 -21.096 77.890 1.00 75.02 N ATOM 920 H ARG E 117 31.748 -18.237 77.108 1.00 0.00 H ATOM 921 HE ARG E 117 32.083 -19.660 77.340 1.00 0.00 H ATOM 922 HH11 ARG E 117 31.543 -22.521 77.573 1.00 0.00 H ATOM 923 HH12 ARG E 117 33.056 -23.232 77.864 1.00 0.00 H ATOM 924 HH21 ARG E 117 34.722 -20.191 77.977 1.00 0.00 H ATOM 925 HH22 ARG E 117 34.903 -21.879 78.056 1.00 0.00 H ATOM 926 N VAL E 118 31.426 -15.055 77.953 1.00 19.91 N ATOM 927 CA VAL E 118 31.716 -13.666 78.340 1.00 18.41 C ATOM 928 C VAL E 118 32.672 -13.055 77.293 1.00 15.72 C ATOM 929 O VAL E 118 33.793 -13.559 77.090 1.00 20.54 O ATOM 930 CB VAL E 118 32.403 -13.598 79.742 1.00 14.42 C ATOM 931 CG1 VAL E 118 32.706 -12.144 80.108 1.00 13.14 C ATOM 932 CG2 VAL E 118 31.490 -14.131 80.815 1.00 10.04 C ATOM 933 H VAL E 118 32.191 -15.592 77.698 1.00 0.00 H ATOM 934 N ALA E 119 32.308 -11.965 76.643 1.00 11.40 N ATOM 935 CA ALA E 119 33.110 -11.406 75.535 1.00 11.66 C ATOM 936 C ALA E 119 32.829 -9.927 75.366 1.00 8.11 C ATOM 937 O ALA E 119 31.710 -9.513 75.709 1.00 3.85 O ATOM 938 CB ALA E 119 32.774 -12.082 74.195 1.00 7.35 C ATOM 939 H ALA E 119 31.467 -11.518 76.899 1.00 0.00 H ATOM 940 N SER E 120 33.790 -9.155 74.856 1.00 8.29 N ATOM 941 CA SER E 120 33.509 -7.726 74.657 1.00 9.57 C ATOM 942 C SER E 120 32.753 -7.376 73.369 1.00 10.74 C ATOM 943 O SER E 120 32.633 -8.198 72.456 1.00 11.80 O ATOM 944 CB SER E 120 34.806 -6.933 74.690 1.00 7.24 C ATOM 945 OG SER E 120 35.854 -7.555 73.974 1.00 15.19 O ATOM 946 H SER E 120 34.651 -9.522 74.540 1.00 0.00 H ATOM 947 HG SER E 120 35.590 -7.658 73.038 1.00 0.00 H ATOM 948 N ILE E 121 32.216 -6.169 73.268 1.00 7.70 N ATOM 949 CA ILE E 121 31.565 -5.707 72.060 1.00 5.95 C ATOM 950 C ILE E 121 32.431 -4.572 71.473 1.00 5.24 C ATOM 951 O ILE E 121 33.107 -3.850 72.218 1.00 7.37 O ATOM 952 CB ILE E 121 30.119 -5.242 72.422 1.00 6.39 C ATOM 953 CG1 ILE E 121 29.412 -4.978 71.102 1.00 4.12 C ATOM 954 CG2 ILE E 121 30.106 -4.067 73.378 1.00 2.00 C ATOM 955 CD1 ILE E 121 29.250 -6.243 70.286 1.00 5.95 C ATOM 956 H ILE E 121 32.275 -5.555 74.028 1.00 0.00 H ATOM 957 N SER E 122 32.513 -4.472 70.149 1.00 2.00 N ATOM 958 CA SER E 122 33.289 -3.406 69.506 1.00 5.53 C ATOM 959 C SER E 122 32.586 -2.074 69.505 1.00 2.12 C ATOM 960 O SER E 122 31.360 -1.999 69.405 1.00 4.58 O ATOM 961 CB SER E 122 33.583 -3.700 68.051 1.00 5.79 C ATOM 962 OG SER E 122 34.474 -4.802 67.897 1.00 12.33 O ATOM 963 H SER E 122 32.052 -5.122 69.580 1.00 0.00 H ATOM 964 HG SER E 122 35.322 -4.617 68.313 1.00 0.00 H ATOM 965 N LEU E 123 33.426 -1.055 69.616 1.00 3.10 N ATOM 966 CA LEU E 123 33.006 0.329 69.501 1.00 2.94 C ATOM 967 C LEU E 123 32.807 0.654 68.020 1.00 5.71 C ATOM 968 O LEU E 123 33.458 0.017 67.181 1.00 4.16 O ATOM 969 CB LEU E 123 34.086 1.203 70.124 1.00 6.03 C ATOM 970 CG LEU E 123 33.991 1.773 71.566 1.00 6.64 C ATOM 971 CD1 LEU E 123 33.101 0.968 72.487 1.00 2.00 C ATOM 972 CD2 LEU E 123 35.420 1.855 72.077 1.00 4.65 C ATOM 973 H LEU E 123 34.367 -1.233 69.822 1.00 0.00 H ATOM 974 N PRO E 124 31.916 1.559 67.610 1.00 2.00 N ATOM 975 CA PRO E 124 31.684 1.812 66.188 1.00 4.18 C ATOM 976 C PRO E 124 32.735 2.710 65.595 1.00 10.59 C ATOM 977 O PRO E 124 33.369 3.459 66.316 1.00 7.14 O ATOM 978 CB PRO E 124 30.296 2.412 66.107 1.00 4.93 C ATOM 979 CG PRO E 124 30.203 3.151 67.424 1.00 7.97 C ATOM 980 CD PRO E 124 30.941 2.259 68.434 1.00 2.00 C ATOM 981 N THR E 125 32.975 2.656 64.294 1.00 15.09 N ATOM 982 CA THR E 125 33.902 3.607 63.677 1.00 16.83 C ATOM 983 C THR E 125 33.168 4.726 62.914 1.00 11.68 C ATOM 984 O THR E 125 33.754 5.673 62.386 1.00 14.05 O ATOM 985 CB THR E 125 34.782 2.787 62.752 1.00 21.07 C ATOM 986 OG1 THR E 125 33.933 1.841 62.039 1.00 23.07 O ATOM 987 CG2 THR E 125 35.894 2.130 63.557 1.00 22.92 C ATOM 988 H THR E 125 32.549 1.989 63.721 1.00 0.00 H ATOM 989 HG1 THR E 125 33.437 2.369 61.399 1.00 0.00 H ATOM 990 N SER E 127 31.861 4.554 62.845 1.00 6.55 N ATOM 991 CA SER E 127 30.955 5.381 62.101 1.00 4.87 C ATOM 992 C SER E 127 29.621 5.271 62.797 1.00 2.88 C ATOM 993 O SER E 127 29.371 4.240 63.398 1.00 8.72 O ATOM 994 CB SER E 127 30.878 4.802 60.748 1.00 9.05 C ATOM 995 OG SER E 127 30.821 5.862 59.847 1.00 24.33 O ATOM 996 H SER E 127 31.426 3.818 63.316 1.00 0.00 H ATOM 997 HG SER E 127 31.664 6.324 59.820 1.00 0.00 H ATOM 998 N CYS E 128 28.783 6.273 62.766 1.00 3.09 N ATOM 999 CA CYS E 128 27.427 6.189 63.277 1.00 4.75 C ATOM 1000 C CYS E 128 26.574 5.354 62.352 1.00 8.73 C ATOM 1001 O CYS E 128 26.941 5.121 61.201 1.00 10.44 O ATOM 1002 CB CYS E 128 26.823 7.570 63.359 1.00 5.69 C ATOM 1003 SG CYS E 128 27.947 8.643 64.289 1.00 12.54 S ATOM 1004 H CYS E 128 29.063 7.085 62.304 1.00 0.00 H ATOM 1005 N ALA E 129 25.442 4.908 62.863 1.00 7.17 N ATOM 1006 CA ALA E 129 24.529 4.093 62.081 1.00 8.00 C ATOM 1007 C ALA E 129 23.415 4.896 61.442 1.00 9.85 C ATOM 1008 O ALA E 129 22.889 5.836 62.040 1.00 13.82 O ATOM 1009 CB ALA E 129 23.940 3.051 62.988 1.00 6.89 C ATOM 1010 H ALA E 129 25.243 5.102 63.785 1.00 0.00 H ATOM 1011 N SER E 130 23.066 4.494 60.238 1.00 14.11 N ATOM 1012 CA SER E 130 21.982 5.058 59.445 1.00 12.69 C ATOM 1013 C SER E 130 20.606 4.670 59.968 1.00 11.85 C ATOM 1014 O SER E 130 20.399 3.580 60.503 1.00 12.82 O ATOM 1015 CB SER E 130 22.071 4.541 58.016 1.00 17.79 C ATOM 1016 OG SER E 130 23.181 5.044 57.310 1.00 22.90 O ATOM 1017 H SER E 130 23.498 3.688 59.883 1.00 0.00 H ATOM 1018 HG SER E 130 23.997 4.851 57.783 1.00 0.00 H ATOM 1019 N ALA E 132 19.621 5.514 59.689 1.00 13.68 N ATOM 1020 CA ALA E 132 18.215 5.186 59.979 1.00 12.63 C ATOM 1021 C ALA E 132 17.850 3.908 59.198 1.00 10.79 C ATOM 1022 O ALA E 132 18.307 3.714 58.044 1.00 7.63 O ATOM 1023 CB ALA E 132 17.293 6.333 59.528 1.00 7.91 C ATOM 1024 H ALA E 132 19.811 6.349 59.229 1.00 0.00 H ATOM 1025 N GLY E 133 17.021 3.078 59.832 1.00 7.06 N ATOM 1026 CA GLY E 133 16.608 1.815 59.265 1.00 2.00 C ATOM 1027 C GLY E 133 17.516 0.653 59.624 1.00 2.44 C ATOM 1028 O GLY E 133 17.071 -0.500 59.462 1.00 8.07 O ATOM 1029 H GLY E 133 16.688 3.307 60.720 1.00 0.00 H ATOM 1030 N THR E 134 18.743 0.882 60.142 1.00 5.38 N ATOM 1031 CA THR E 134 19.601 -0.212 60.614 1.00 3.99 C ATOM 1032 C THR E 134 18.887 -0.899 61.756 1.00 3.73 C ATOM 1033 O THR E 134 18.282 -0.233 62.604 1.00 4.54 O ATOM 1034 CB THR E 134 20.895 0.321 61.140 1.00 8.17 C ATOM 1035 OG1 THR E 134 21.477 0.991 60.013 1.00 12.35 O ATOM 1036 CG2 THR E 134 21.812 -0.749 61.722 1.00 5.39 C ATOM 1037 H THR E 134 19.108 1.793 60.222 1.00 0.00 H ATOM 1038 HG1 THR E 134 21.556 0.381 59.274 1.00 0.00 H ATOM 1039 N GLN E 135 18.896 -2.210 61.646 1.00 5.93 N ATOM 1040 CA GLN E 135 18.349 -3.130 62.627 1.00 10.02 C ATOM 1041 C GLN E 135 19.364 -3.388 63.755 1.00 11.34 C ATOM 1042 O GLN E 135 20.534 -3.735 63.522 1.00 9.67 O ATOM 1043 CB GLN E 135 18.024 -4.428 61.951 1.00 14.60 C ATOM 1044 CG GLN E 135 16.969 -5.150 62.732 1.00 27.66 C ATOM 1045 CD GLN E 135 15.554 -4.674 62.419 1.00 35.65 C ATOM 1046 OE1 GLN E 135 14.635 -5.430 62.727 1.00 39.60 O ATOM 1047 NE2 GLN E 135 15.250 -3.509 61.830 1.00 39.99 N ATOM 1048 H GLN E 135 19.326 -2.606 60.857 1.00 0.00 H ATOM 1049 HE21 GLN E 135 14.301 -3.377 61.626 1.00 0.00 H ATOM 1050 HE22 GLN E 135 15.953 -2.867 61.602 1.00 0.00 H ATOM 1051 N CYS E 136 18.897 -3.287 64.982 1.00 8.85 N ATOM 1052 CA CYS E 136 19.770 -3.441 66.137 1.00 9.21 C ATOM 1053 C CYS E 136 19.175 -4.397 67.153 1.00 4.23 C ATOM 1054 O CYS E 136 17.986 -4.718 67.100 1.00 5.82 O ATOM 1055 CB CYS E 136 19.989 -2.058 66.753 1.00 6.25 C ATOM 1056 SG CYS E 136 20.648 -0.805 65.648 1.00 2.59 S ATOM 1057 H CYS E 136 17.954 -3.095 65.125 1.00 0.00 H ATOM 1058 N LEU E 137 20.005 -4.940 68.025 1.00 5.04 N ATOM 1059 CA LEU E 137 19.587 -5.828 69.117 1.00 7.45 C ATOM 1060 C LEU E 137 19.783 -5.045 70.414 1.00 2.00 C ATOM 1061 O LEU E 137 20.868 -4.468 70.679 1.00 2.00 O ATOM 1062 CB LEU E 137 20.469 -7.115 69.129 1.00 5.60 C ATOM 1063 CG LEU E 137 20.185 -8.226 70.183 1.00 11.64 C ATOM 1064 CD1 LEU E 137 18.878 -8.971 69.873 1.00 7.37 C ATOM 1065 CD2 LEU E 137 21.372 -9.183 70.193 1.00 7.55 C ATOM 1066 H LEU E 137 20.966 -4.808 67.895 1.00 0.00 H ATOM 1067 N ILE E 138 18.668 -4.988 71.123 1.00 4.04 N ATOM 1068 CA ILE E 138 18.573 -4.343 72.440 1.00 3.08 C ATOM 1069 C ILE E 138 18.251 -5.462 73.442 1.00 7.18 C ATOM 1070 O ILE E 138 17.382 -6.304 73.134 1.00 3.11 O ATOM 1071 CB ILE E 138 17.455 -3.312 72.488 1.00 4.02 C ATOM 1072 CG1 ILE E 138 17.546 -2.383 71.247 1.00 6.22 C ATOM 1073 CG2 ILE E 138 17.581 -2.524 73.798 1.00 5.62 C ATOM 1074 CD1 ILE E 138 16.550 -1.263 71.175 1.00 2.00 C ATOM 1075 H ILE E 138 17.856 -5.400 70.774 1.00 0.00 H ATOM 1076 N SER E 139 18.994 -5.553 74.553 1.00 3.40 N ATOM 1077 CA SER E 139 18.778 -6.631 75.535 1.00 7.57 C ATOM 1078 C SER E 139 18.779 -6.125 76.963 1.00 6.69 C ATOM 1079 O SER E 139 19.412 -5.088 77.205 1.00 3.44 O ATOM 1080 CB SER E 139 19.851 -7.691 75.455 1.00 2.00 C ATOM 1081 OG SER E 139 21.137 -7.137 75.246 1.00 2.00 O ATOM 1082 H SER E 139 19.723 -4.915 74.735 1.00 0.00 H ATOM 1083 HG SER E 139 21.713 -7.846 74.943 1.00 0.00 H ATOM 1084 N GLY E 140 18.178 -6.850 77.899 1.00 2.00 N ATOM 1085 CA GLY E 140 18.139 -6.364 79.281 1.00 2.00 C ATOM 1086 C GLY E 140 17.143 -7.159 80.135 1.00 4.30 C ATOM 1087 O GLY E 140 16.312 -7.945 79.620 1.00 4.10 O ATOM 1088 H GLY E 140 17.703 -7.678 77.672 1.00 0.00 H ATOM 1089 N TRP E 141 17.295 -6.977 81.447 1.00 2.00 N ATOM 1090 CA TRP E 141 16.483 -7.583 82.488 1.00 2.35 C ATOM 1091 C TRP E 141 15.442 -6.565 82.993 1.00 5.47 C ATOM 1092 O TRP E 141 14.975 -6.623 84.125 1.00 7.42 O ATOM 1093 CB TRP E 141 17.415 -8.059 83.634 1.00 2.41 C ATOM 1094 CG TRP E 141 18.287 -9.219 83.278 1.00 2.00 C ATOM 1095 CD1 TRP E 141 17.896 -10.516 83.300 1.00 4.04 C ATOM 1096 CD2 TRP E 141 19.656 -9.177 82.913 1.00 2.00 C ATOM 1097 NE1 TRP E 141 18.956 -11.304 82.985 1.00 2.73 N ATOM 1098 CE2 TRP E 141 20.035 -10.516 82.751 1.00 4.32 C ATOM 1099 CE3 TRP E 141 20.606 -8.164 82.738 1.00 4.29 C ATOM 1100 CZ2 TRP E 141 21.313 -10.900 82.412 1.00 5.58 C ATOM 1101 CZ3 TRP E 141 21.896 -8.544 82.420 1.00 6.14 C ATOM 1102 CH2 TRP E 141 22.228 -9.896 82.246 1.00 5.64 C ATOM 1103 H TRP E 141 17.969 -6.342 81.737 1.00 0.00 H ATOM 1104 HE1 TRP E 141 18.921 -12.285 82.915 1.00 0.00 H ATOM 1105 N GLY E 142 15.085 -5.567 82.198 1.00 8.08 N ATOM 1106 CA GLY E 142 14.078 -4.603 82.619 1.00 10.28 C ATOM 1107 C GLY E 142 12.673 -5.130 82.528 1.00 6.74 C ATOM 1108 O GLY E 142 12.381 -6.185 81.965 1.00 10.68 O ATOM 1109 H GLY E 142 15.490 -5.447 81.316 1.00 0.00 H ATOM 1110 N ASN E 143 11.805 -4.295 83.052 1.00 7.27 N ATOM 1111 CA ASN E 143 10.367 -4.513 83.045 1.00 9.54 C ATOM 1112 C ASN E 143 9.855 -4.988 81.663 1.00 7.28 C ATOM 1113 O ASN E 143 10.284 -4.443 80.622 1.00 7.78 O ATOM 1114 CB ASN E 143 9.685 -3.188 83.456 1.00 6.70 C ATOM 1115 CG ASN E 143 8.191 -3.342 83.731 1.00 10.93 C ATOM 1116 OD1 ASN E 143 7.611 -4.441 83.816 1.00 13.66 O ATOM 1117 ND2 ASN E 143 7.556 -2.216 83.957 1.00 13.41 N ATOM 1118 H ASN E 143 12.160 -3.464 83.413 1.00 0.00 H ATOM 1119 HD21 ASN E 143 6.594 -2.226 84.151 1.00 0.00 H ATOM 1120 HD22 ASN E 143 8.060 -1.378 83.920 1.00 0.00 H ATOM 1121 N THR E 144 9.018 -6.025 81.623 1.00 7.85 N ATOM 1122 CA THR E 144 8.436 -6.532 80.362 1.00 9.66 C ATOM 1123 C THR E 144 6.961 -6.069 80.141 1.00 12.40 C ATOM 1124 O THR E 144 6.215 -6.511 79.235 1.00 14.67 O ATOM 1125 CB THR E 144 8.508 -8.098 80.353 1.00 8.09 C ATOM 1126 OG1 THR E 144 7.680 -8.564 81.422 1.00 9.03 O ATOM 1127 CG2 THR E 144 9.927 -8.651 80.557 1.00 5.46 C ATOM 1128 H THR E 144 8.782 -6.484 82.459 1.00 0.00 H ATOM 1129 HG1 THR E 144 7.872 -9.490 81.556 1.00 0.00 H ATOM 1130 N LYS E 145 6.430 -5.224 81.007 1.00 18.37 N ATOM 1131 CA LYS E 145 5.053 -4.762 80.903 1.00 22.63 C ATOM 1132 C LYS E 145 5.044 -3.266 80.696 1.00 27.25 C ATOM 1133 O LYS E 145 5.851 -2.578 81.319 1.00 26.93 O ATOM 1134 CB LYS E 145 4.290 -5.122 82.179 1.00 24.17 C ATOM 1135 CG LYS E 145 3.585 -6.469 82.145 1.00 30.18 C ATOM 1136 CD LYS E 145 4.484 -7.664 81.769 1.00 36.94 C ATOM 1137 CE LYS E 145 3.888 -8.749 80.854 1.00 39.49 C ATOM 1138 NZ LYS E 145 3.252 -8.174 79.635 1.00 45.56 N ATOM 1139 H LYS E 145 6.983 -4.900 81.751 1.00 0.00 H ATOM 1140 HZ1 LYS E 145 3.954 -7.629 79.089 1.00 0.00 H ATOM 1141 HZ2 LYS E 145 2.865 -8.944 79.059 1.00 0.00 H ATOM 1142 HZ3 LYS E 145 2.479 -7.556 79.952 1.00 0.00 H ATOM 1143 N SER E 146 4.170 -2.802 79.794 1.00 33.74 N ATOM 1144 CA SER E 146 3.972 -1.371 79.515 1.00 40.51 C ATOM 1145 C SER E 146 3.104 -0.767 80.616 1.00 45.60 C ATOM 1146 O SER E 146 3.357 0.353 81.064 1.00 50.68 O ATOM 1147 CB SER E 146 3.252 -1.160 78.201 1.00 43.16 C ATOM 1148 OG SER E 146 3.285 -2.340 77.413 1.00 47.50 O ATOM 1149 H SER E 146 3.651 -3.421 79.242 1.00 0.00 H ATOM 1150 HG SER E 146 4.174 -2.431 77.051 1.00 0.00 H ATOM 1151 N SER E 147 2.048 -1.465 81.032 1.00 49.86 N ATOM 1152 CA SER E 147 1.230 -1.015 82.152 1.00 52.64 C ATOM 1153 C SER E 147 1.364 -2.117 83.189 1.00 51.40 C ATOM 1154 O SER E 147 0.736 -3.176 83.100 1.00 49.49 O ATOM 1155 CB SER E 147 -0.242 -0.843 81.732 1.00 56.80 C ATOM 1156 OG SER E 147 -0.354 0.188 80.759 1.00 63.34 O ATOM 1157 H SER E 147 1.789 -2.299 80.588 1.00 0.00 H ATOM 1158 HG SER E 147 -0.089 1.031 81.138 1.00 0.00 H ATOM 1159 N GLY E 148 2.296 -1.885 84.094 1.00 47.85 N ATOM 1160 CA GLY E 148 2.518 -2.825 85.161 1.00 45.24 C ATOM 1161 C GLY E 148 3.986 -2.934 85.469 1.00 43.03 C ATOM 1162 O GLY E 148 4.764 -2.043 85.103 1.00 46.28 O ATOM 1163 H GLY E 148 2.933 -1.147 83.985 1.00 0.00 H ATOM 1164 N THR E 149 4.341 -4.016 86.150 1.00 38.70 N ATOM 1165 CA THR E 149 5.715 -4.253 86.553 1.00 38.10 C ATOM 1166 C THR E 149 5.944 -5.752 86.552 1.00 34.55 C ATOM 1167 O THR E 149 5.346 -6.433 87.379 1.00 39.28 O ATOM 1168 CB THR E 149 5.957 -3.701 87.974 1.00 39.93 C ATOM 1169 OG1 THR E 149 5.314 -2.428 88.130 1.00 43.75 O ATOM 1170 CG2 THR E 149 7.415 -3.453 88.196 1.00 40.32 C ATOM 1171 H THR E 149 3.673 -4.670 86.435 1.00 0.00 H ATOM 1172 HG1 THR E 149 5.693 -1.826 87.479 1.00 0.00 H ATOM 1173 N SER E 150 6.707 -6.322 85.654 1.00 28.87 N ATOM 1174 CA SER E 150 6.987 -7.736 85.717 1.00 23.60 C ATOM 1175 C SER E 150 8.440 -7.825 85.299 1.00 18.29 C ATOM 1176 O SER E 150 8.774 -7.475 84.174 1.00 10.94 O ATOM 1177 CB SER E 150 6.091 -8.483 84.749 1.00 25.90 C ATOM 1178 OG SER E 150 6.274 -9.871 84.950 1.00 30.01 O ATOM 1179 H SER E 150 7.084 -5.827 84.903 1.00 0.00 H ATOM 1180 HG SER E 150 5.655 -10.383 84.433 1.00 0.00 H ATOM 1181 N TYR E 151 9.310 -8.174 86.225 1.00 14.97 N ATOM 1182 CA TYR E 151 10.724 -8.273 85.944 1.00 15.31 C ATOM 1183 C TYR E 151 11.078 -9.715 85.660 1.00 14.95 C ATOM 1184 O TYR E 151 10.649 -10.597 86.422 1.00 15.79 O ATOM 1185 CB TYR E 151 11.512 -7.772 87.122 1.00 15.44 C ATOM 1186 CG TYR E 151 11.319 -6.300 87.302 1.00 20.36 C ATOM 1187 CD1 TYR E 151 12.005 -5.409 86.480 1.00 22.61 C ATOM 1188 CD2 TYR E 151 10.492 -5.837 88.308 1.00 21.47 C ATOM 1189 CE1 TYR E 151 11.876 -4.054 86.660 1.00 23.27 C ATOM 1190 CE2 TYR E 151 10.371 -4.489 88.493 1.00 23.83 C ATOM 1191 CZ TYR E 151 11.055 -3.616 87.675 1.00 25.54 C ATOM 1192 OH TYR E 151 10.908 -2.266 87.897 1.00 32.22 O ATOM 1193 H TYR E 151 9.002 -8.339 87.138 1.00 0.00 H ATOM 1194 HH TYR E 151 11.477 -1.768 87.301 1.00 0.00 H ATOM 1195 N PRO E 152 11.800 -9.998 84.552 1.00 11.06 N ATOM 1196 CA PRO E 152 12.245 -11.350 84.231 1.00 5.75 C ATOM 1197 C PRO E 152 13.411 -11.765 85.102 1.00 5.35 C ATOM 1198 O PRO E 152 14.160 -10.961 85.649 1.00 7.19 O ATOM 1199 CB PRO E 152 12.579 -11.250 82.777 1.00 7.60 C ATOM 1200 CG PRO E 152 13.193 -9.899 82.731 1.00 5.00 C ATOM 1201 CD PRO E 152 12.242 -9.051 83.513 1.00 6.21 C ATOM 1202 N ASP E 153 13.546 -13.045 85.095 1.00 6.84 N ATOM 1203 CA ASP E 153 14.690 -13.719 85.675 1.00 9.08 C ATOM 1204 C ASP E 153 15.846 -13.733 84.674 1.00 6.03 C ATOM 1205 O ASP E 153 17.002 -13.543 85.031 1.00 2.00 O ATOM 1206 CB ASP E 153 14.349 -15.177 86.010 1.00 12.85 C ATOM 1207 CG ASP E 153 13.438 -15.387 87.202 1.00 20.18 C ATOM 1208 OD1 ASP E 153 13.584 -14.679 88.223 1.00 18.68 O ATOM 1209 OD2 ASP E 153 12.595 -16.303 87.102 1.00 21.21 O ATOM 1210 H ASP E 153 12.834 -13.583 84.710 1.00 0.00 H ATOM 1211 N VAL E 154 15.498 -14.164 83.454 1.00 6.88 N ATOM 1212 CA VAL E 154 16.447 -14.348 82.346 1.00 7.74 C ATOM 1213 C VAL E 154 16.519 -13.196 81.355 1.00 5.73 C ATOM 1214 O VAL E 154 15.602 -12.357 81.281 1.00 7.26 O ATOM 1215 CB VAL E 154 16.153 -15.630 81.526 1.00 9.64 C ATOM 1216 CG1 VAL E 154 16.289 -16.803 82.494 1.00 16.70 C ATOM 1217 CG2 VAL E 154 14.774 -15.618 80.882 1.00 9.70 C ATOM 1218 H VAL E 154 14.549 -14.302 83.283 1.00 0.00 H ATOM 1219 N LEU E 155 17.592 -13.143 80.572 1.00 6.24 N ATOM 1220 CA LEU E 155 17.793 -11.974 79.692 1.00 2.99 C ATOM 1221 C LEU E 155 16.803 -11.921 78.517 1.00 4.35 C ATOM 1222 O LEU E 155 16.416 -12.945 77.927 1.00 4.65 O ATOM 1223 CB LEU E 155 19.244 -11.998 79.217 1.00 2.00 C ATOM 1224 CG LEU E 155 19.743 -10.884 78.322 1.00 2.00 C ATOM 1225 CD1 LEU E 155 19.690 -9.569 79.080 1.00 2.00 C ATOM 1226 CD2 LEU E 155 21.147 -11.248 77.831 1.00 2.00 C ATOM 1227 H LEU E 155 18.280 -13.852 80.657 1.00 0.00 H ATOM 1228 N LYS E 156 16.316 -10.728 78.209 1.00 2.99 N ATOM 1229 CA LYS E 156 15.333 -10.558 77.155 1.00 4.75 C ATOM 1230 C LYS E 156 15.990 -9.733 76.061 1.00 5.66 C ATOM 1231 O LYS E 156 16.735 -8.798 76.408 1.00 8.97 O ATOM 1232 CB LYS E 156 14.125 -9.811 77.664 1.00 3.52 C ATOM 1233 CG LYS E 156 13.365 -10.493 78.743 1.00 8.27 C ATOM 1234 CD LYS E 156 12.678 -11.664 78.105 1.00 8.44 C ATOM 1235 CE LYS E 156 12.199 -12.533 79.209 1.00 11.06 C ATOM 1236 NZ LYS E 156 11.362 -13.642 78.691 1.00 12.87 N ATOM 1237 H LYS E 156 16.597 -9.938 78.715 1.00 0.00 H ATOM 1238 HZ1 LYS E 156 11.900 -14.224 78.012 1.00 0.00 H ATOM 1239 HZ2 LYS E 156 11.101 -14.225 79.509 1.00 0.00 H ATOM 1240 HZ3 LYS E 156 10.511 -13.240 78.259 1.00 0.00 H ATOM 1241 N CYS E 157 15.671 -10.071 74.814 1.00 2.00 N ATOM 1242 CA CYS E 157 16.226 -9.478 73.597 1.00 2.00 C ATOM 1243 C CYS E 157 15.117 -8.851 72.789 1.00 3.21 C ATOM 1244 O CYS E 157 13.961 -9.246 72.974 1.00 6.49 O ATOM 1245 CB CYS E 157 16.881 -10.535 72.736 1.00 3.59 C ATOM 1246 SG CYS E 157 18.579 -10.872 73.295 1.00 5.26 S ATOM 1247 H CYS E 157 14.933 -10.699 74.685 1.00 0.00 H ATOM 1248 N LEU E 158 15.454 -7.935 71.885 1.00 2.68 N ATOM 1249 CA LEU E 158 14.482 -7.277 71.007 1.00 3.45 C ATOM 1250 C LEU E 158 15.272 -6.662 69.845 1.00 8.71 C ATOM 1251 O LEU E 158 16.361 -6.104 70.008 1.00 8.33 O ATOM 1252 CB LEU E 158 13.713 -6.144 71.728 1.00 2.00 C ATOM 1253 CG LEU E 158 12.819 -5.122 70.918 1.00 5.01 C ATOM 1254 CD1 LEU E 158 11.481 -5.743 70.553 1.00 2.00 C ATOM 1255 CD2 LEU E 158 12.555 -3.899 71.740 1.00 2.06 C ATOM 1256 H LEU E 158 16.382 -7.610 71.845 1.00 0.00 H ATOM 1257 N LYS E 159 14.766 -6.927 68.640 1.00 7.05 N ATOM 1258 CA LYS E 159 15.290 -6.333 67.418 1.00 6.63 C ATOM 1259 C LYS E 159 14.619 -4.992 67.125 1.00 2.85 C ATOM 1260 O LYS E 159 13.382 -4.951 67.126 1.00 2.00 O ATOM 1261 CB LYS E 159 15.086 -7.304 66.236 1.00 5.38 C ATOM 1262 CG LYS E 159 16.405 -7.986 65.922 1.00 11.72 C ATOM 1263 CD LYS E 159 16.706 -9.256 66.688 1.00 16.34 C ATOM 1264 CE LYS E 159 16.271 -10.576 66.005 1.00 21.21 C ATOM 1265 NZ LYS E 159 14.782 -10.762 66.017 1.00 24.60 N ATOM 1266 H LYS E 159 13.977 -7.493 68.621 1.00 0.00 H ATOM 1267 HZ1 LYS E 159 14.402 -10.707 66.985 1.00 0.00 H ATOM 1268 HZ2 LYS E 159 14.368 -10.020 65.415 1.00 0.00 H ATOM 1269 HZ3 LYS E 159 14.558 -11.692 65.611 1.00 0.00 H ATOM 1270 N ALA E 160 15.337 -3.894 66.918 1.00 2.00 N ATOM 1271 CA ALA E 160 14.622 -2.671 66.606 1.00 6.80 C ATOM 1272 C ALA E 160 15.427 -1.789 65.668 1.00 3.72 C ATOM 1273 O ALA E 160 16.667 -1.805 65.640 1.00 6.73 O ATOM 1274 CB ALA E 160 14.280 -1.948 67.928 1.00 9.14 C ATOM 1275 H ALA E 160 16.316 -3.917 66.914 1.00 0.00 H ATOM 1276 N PRO E 161 14.738 -1.093 64.768 1.00 5.32 N ATOM 1277 CA PRO E 161 15.375 -0.138 63.864 1.00 2.00 C ATOM 1278 C PRO E 161 15.720 1.186 64.536 1.00 2.00 C ATOM 1279 O PRO E 161 15.003 1.670 65.441 1.00 2.30 O ATOM 1280 CB PRO E 161 14.369 0.014 62.759 1.00 2.58 C ATOM 1281 CG PRO E 161 13.082 -0.090 63.512 1.00 2.00 C ATOM 1282 CD PRO E 161 13.310 -1.240 64.427 1.00 2.00 C ATOM 1283 N ILE E 162 16.817 1.765 64.061 1.00 3.46 N ATOM 1284 CA ILE E 162 17.097 3.152 64.400 1.00 4.81 C ATOM 1285 C ILE E 162 16.101 3.961 63.541 1.00 2.29 C ATOM 1286 O ILE E 162 15.934 3.674 62.352 1.00 2.00 O ATOM 1287 CB ILE E 162 18.521 3.549 64.017 1.00 6.38 C ATOM 1288 CG1 ILE E 162 19.500 2.644 64.790 1.00 10.30 C ATOM 1289 CG2 ILE E 162 18.688 5.030 64.259 1.00 2.00 C ATOM 1290 CD1 ILE E 162 20.992 2.771 64.651 1.00 6.14 C ATOM 1291 H ILE E 162 17.400 1.287 63.437 1.00 0.00 H ATOM 1292 N LEU E 163 15.387 4.905 64.112 1.00 3.69 N ATOM 1293 CA LEU E 163 14.437 5.752 63.413 1.00 2.09 C ATOM 1294 C LEU E 163 15.148 7.013 62.927 1.00 4.76 C ATOM 1295 O LEU E 163 16.256 7.337 63.366 1.00 4.66 O ATOM 1296 CB LEU E 163 13.316 6.171 64.332 1.00 2.00 C ATOM 1297 CG LEU E 163 12.591 5.004 64.969 1.00 2.00 C ATOM 1298 CD1 LEU E 163 11.483 5.569 65.819 1.00 2.00 C ATOM 1299 CD2 LEU E 163 11.988 4.073 63.918 1.00 2.00 C ATOM 1300 H LEU E 163 15.527 5.067 65.064 1.00 0.00 H ATOM 1301 N SER E 164 14.514 7.753 62.022 1.00 7.70 N ATOM 1302 CA SER E 164 15.080 8.960 61.459 1.00 6.23 C ATOM 1303 C SER E 164 15.060 10.022 62.550 1.00 2.00 C ATOM 1304 O SER E 164 14.164 10.107 63.410 1.00 2.27 O ATOM 1305 CB SER E 164 14.234 9.422 60.244 1.00 6.40 C ATOM 1306 OG SER E 164 12.934 9.825 60.691 1.00 13.13 O ATOM 1307 H SER E 164 13.629 7.458 61.712 1.00 0.00 H ATOM 1308 HG SER E 164 13.123 10.549 61.286 1.00 0.00 H ATOM 1309 N ASP E 165 15.920 10.957 62.269 1.00 3.18 N ATOM 1310 CA ASP E 165 16.051 12.132 63.068 1.00 9.40 C ATOM 1311 C ASP E 165 14.809 12.951 63.131 1.00 6.48 C ATOM 1312 O ASP E 165 14.400 13.373 64.209 1.00 8.38 O ATOM 1313 CB ASP E 165 17.154 12.958 62.531 1.00 18.47 C ATOM 1314 CG ASP E 165 18.192 13.046 63.621 1.00 28.51 C ATOM 1315 OD1 ASP E 165 18.745 11.989 64.024 1.00 29.76 O ATOM 1316 OD2 ASP E 165 18.419 14.182 64.103 1.00 36.28 O ATOM 1317 H ASP E 165 16.561 10.861 61.536 1.00 0.00 H ATOM 1318 N SER E 166 14.137 13.072 62.001 1.00 6.89 N ATOM 1319 CA SER E 166 12.963 13.899 61.974 1.00 6.92 C ATOM 1320 C SER E 166 11.844 13.240 62.727 1.00 5.33 C ATOM 1321 O SER E 166 11.112 13.966 63.383 1.00 7.22 O ATOM 1322 CB SER E 166 12.546 14.173 60.541 1.00 8.84 C ATOM 1323 OG SER E 166 12.467 12.970 59.797 1.00 16.45 O ATOM 1324 H SER E 166 14.485 12.765 61.136 1.00 0.00 H ATOM 1325 HG SER E 166 11.773 12.361 60.029 1.00 0.00 H ATOM 1326 N SER E 167 11.685 11.917 62.658 1.00 3.88 N ATOM 1327 CA SER E 167 10.650 11.244 63.443 1.00 7.81 C ATOM 1328 C SER E 167 11.038 11.340 64.917 1.00 4.89 C ATOM 1329 O SER E 167 10.181 11.575 65.765 1.00 2.00 O ATOM 1330 CB SER E 167 10.544 9.780 62.989 1.00 12.89 C ATOM 1331 OG SER E 167 10.071 9.779 61.639 1.00 18.37 O ATOM 1332 H SER E 167 12.240 11.387 62.073 1.00 0.00 H ATOM 1333 HG SER E 167 10.785 9.997 61.035 1.00 0.00 H ATOM 1334 N CYS E 168 12.317 11.266 65.254 1.00 6.53 N ATOM 1335 CA CYS E 168 12.693 11.310 66.664 1.00 4.25 C ATOM 1336 C CYS E 168 12.373 12.689 67.237 1.00 4.44 C ATOM 1337 O CYS E 168 11.677 12.757 68.262 1.00 6.21 O ATOM 1338 CB CYS E 168 14.167 10.989 66.754 1.00 5.42 C ATOM 1339 SG CYS E 168 14.819 10.645 68.421 1.00 4.72 S ATOM 1340 H CYS E 168 13.004 11.147 64.568 1.00 0.00 H ATOM 1341 N LYS E 169 12.749 13.760 66.525 1.00 3.02 N ATOM 1342 CA LYS E 169 12.456 15.134 66.956 1.00 7.51 C ATOM 1343 C LYS E 169 10.973 15.476 66.938 1.00 9.78 C ATOM 1344 O LYS E 169 10.517 16.207 67.832 1.00 10.55 O ATOM 1345 CB LYS E 169 13.214 16.121 66.102 1.00 5.20 C ATOM 1346 CG LYS E 169 14.696 15.954 66.408 1.00 9.66 C ATOM 1347 CD LYS E 169 15.534 16.568 65.311 1.00 20.80 C ATOM 1348 CE LYS E 169 17.031 16.418 65.530 1.00 23.79 C ATOM 1349 NZ LYS E 169 17.511 17.477 66.437 1.00 32.86 N ATOM 1350 H LYS E 169 13.238 13.628 65.688 1.00 0.00 H ATOM 1351 HZ1 LYS E 169 17.008 17.399 67.344 1.00 0.00 H ATOM 1352 HZ2 LYS E 169 18.526 17.351 66.591 1.00 0.00 H ATOM 1353 HZ3 LYS E 169 17.299 18.394 65.998 1.00 0.00 H ATOM 1354 N SER E 170 10.223 14.883 66.009 1.00 9.43 N ATOM 1355 CA SER E 170 8.770 15.036 66.041 1.00 13.61 C ATOM 1356 C SER E 170 8.147 14.348 67.254 1.00 11.60 C ATOM 1357 O SER E 170 7.147 14.819 67.808 1.00 14.47 O ATOM 1358 CB SER E 170 8.133 14.443 64.811 1.00 15.53 C ATOM 1359 OG SER E 170 8.549 15.251 63.730 1.00 26.75 O ATOM 1360 H SER E 170 10.634 14.419 65.253 1.00 0.00 H ATOM 1361 HG SER E 170 8.117 14.933 62.935 1.00 0.00 H ATOM 1362 N ALA E 171 8.688 13.195 67.666 1.00 11.21 N ATOM 1363 CA ALA E 171 8.151 12.489 68.825 1.00 9.04 C ATOM 1364 C ALA E 171 8.487 13.237 70.132 1.00 7.04 C ATOM 1365 O ALA E 171 7.675 13.184 71.062 1.00 9.29 O ATOM 1366 CB ALA E 171 8.730 11.085 68.848 1.00 5.33 C ATOM 1367 H ALA E 171 9.482 12.851 67.205 1.00 0.00 H ATOM 1368 N TYR E 172 9.630 13.917 70.213 1.00 3.10 N ATOM 1369 CA TYR E 172 10.121 14.554 71.440 1.00 3.71 C ATOM 1370 C TYR E 172 10.614 15.971 71.188 1.00 4.75 C ATOM 1371 O TYR E 172 11.815 16.246 71.254 1.00 7.55 O ATOM 1372 CB TYR E 172 11.258 13.715 72.020 1.00 4.32 C ATOM 1373 CG TYR E 172 10.812 12.356 72.493 1.00 3.40 C ATOM 1374 CD1 TYR E 172 9.959 12.264 73.580 1.00 4.47 C ATOM 1375 CD2 TYR E 172 11.271 11.196 71.899 1.00 2.96 C ATOM 1376 CE1 TYR E 172 9.557 11.046 74.072 1.00 4.89 C ATOM 1377 CE2 TYR E 172 10.879 9.958 72.385 1.00 3.51 C ATOM 1378 CZ TYR E 172 10.027 9.898 73.488 1.00 5.72 C ATOM 1379 OH TYR E 172 9.633 8.702 74.040 1.00 6.17 O ATOM 1380 H TYR E 172 10.218 13.958 69.429 1.00 0.00 H ATOM 1381 HH TYR E 172 10.002 7.994 73.490 1.00 0.00 H ATOM 1382 N PRO E 173 9.711 16.899 70.816 1.00 7.97 N ATOM 1383 CA PRO E 173 10.056 18.267 70.410 1.00 6.43 C ATOM 1384 C PRO E 173 10.909 18.986 71.462 1.00 7.72 C ATOM 1385 O PRO E 173 10.606 18.993 72.660 1.00 7.11 O ATOM 1386 CB PRO E 173 8.705 18.917 70.199 1.00 10.83 C ATOM 1387 CG PRO E 173 7.758 17.777 69.947 1.00 10.11 C ATOM 1388 CD PRO E 173 8.243 16.757 70.904 1.00 7.59 C ATOM 1389 N GLY E 174 12.031 19.554 71.050 1.00 10.16 N ATOM 1390 CA GLY E 174 12.881 20.285 71.996 1.00 11.34 C ATOM 1391 C GLY E 174 13.778 19.405 72.866 1.00 7.11 C ATOM 1392 O GLY E 174 14.755 19.876 73.448 1.00 12.78 O ATOM 1393 H GLY E 174 12.291 19.452 70.109 1.00 0.00 H ATOM 1394 N GLN E 175 13.562 18.110 72.855 1.00 7.47 N ATOM 1395 CA GLN E 175 14.271 17.222 73.757 1.00 5.94 C ATOM 1396 C GLN E 175 15.402 16.398 73.193 1.00 2.51 C ATOM 1397 O GLN E 175 16.114 15.797 73.993 1.00 3.14 O ATOM 1398 CB GLN E 175 13.263 16.298 74.377 1.00 9.28 C ATOM 1399 CG GLN E 175 12.158 17.061 75.103 1.00 15.89 C ATOM 1400 CD GLN E 175 10.967 16.166 75.412 1.00 19.60 C ATOM 1401 OE1 GLN E 175 9.937 16.135 74.735 1.00 18.69 O ATOM 1402 NE2 GLN E 175 11.118 15.398 76.472 1.00 19.94 N ATOM 1403 H GLN E 175 12.986 17.710 72.174 1.00 0.00 H ATOM 1404 HE21 GLN E 175 10.374 14.814 76.707 1.00 0.00 H ATOM 1405 HE22 GLN E 175 11.961 15.478 76.961 1.00 0.00 H ATOM 1406 N ILE E 176 15.538 16.248 71.878 1.00 5.48 N ATOM 1407 CA ILE E 176 16.573 15.374 71.280 1.00 4.90 C ATOM 1408 C ILE E 176 17.827 16.182 70.949 1.00 7.11 C ATOM 1409 O ILE E 176 17.739 17.131 70.140 1.00 5.13 O ATOM 1410 CB ILE E 176 16.017 14.696 69.975 1.00 2.00 C ATOM 1411 CG1 ILE E 176 14.714 13.964 70.343 1.00 2.00 C ATOM 1412 CG2 ILE E 176 17.060 13.713 69.351 1.00 2.00 C ATOM 1413 CD1 ILE E 176 14.832 12.759 71.292 1.00 2.00 C ATOM 1414 H ILE E 176 14.959 16.775 71.295 1.00 0.00 H ATOM 1415 N THR E 177 18.955 15.855 71.574 1.00 2.68 N ATOM 1416 CA THR E 177 20.205 16.549 71.257 1.00 2.97 C ATOM 1417 C THR E 177 20.981 15.773 70.184 1.00 4.04 C ATOM 1418 O THR E 177 20.638 14.653 69.853 1.00 9.49 O ATOM 1419 CB THR E 177 21.099 16.700 72.535 1.00 2.97 C ATOM 1420 OG1 THR E 177 21.638 15.416 72.930 1.00 3.99 O ATOM 1421 CG2 THR E 177 20.279 17.239 73.700 1.00 2.36 C ATOM 1422 H THR E 177 18.949 15.155 72.255 1.00 0.00 H ATOM 1423 HG1 THR E 177 22.021 14.958 72.183 1.00 0.00 H ATOM 1424 N SER E 178 22.117 16.243 69.707 1.00 7.04 N ATOM 1425 CA SER E 178 22.915 15.528 68.713 1.00 13.39 C ATOM 1426 C SER E 178 23.426 14.150 69.180 1.00 12.22 C ATOM 1427 O SER E 178 23.841 13.294 68.397 1.00 16.12 O ATOM 1428 CB SER E 178 24.082 16.456 68.362 1.00 17.35 C ATOM 1429 OG SER E 178 24.638 16.965 69.590 1.00 23.83 O ATOM 1430 H SER E 178 22.479 17.096 70.029 1.00 0.00 H ATOM 1431 HG SER E 178 25.259 16.332 69.987 1.00 0.00 H ATOM 1432 N ASN E 179 23.430 14.003 70.503 1.00 10.35 N ATOM 1433 CA ASN E 179 23.975 12.859 71.198 1.00 6.22 C ATOM 1434 C ASN E 179 22.901 11.851 71.484 1.00 4.69 C ATOM 1435 O ASN E 179 23.082 10.942 72.304 1.00 2.00 O ATOM 1436 CB ASN E 179 24.631 13.326 72.516 1.00 3.95 C ATOM 1437 CG ASN E 179 25.737 14.334 72.231 1.00 6.37 C ATOM 1438 OD1 ASN E 179 26.589 14.090 71.373 1.00 3.13 O ATOM 1439 ND2 ASN E 179 25.782 15.512 72.835 1.00 2.00 N ATOM 1440 H ASN E 179 23.045 14.722 71.016 1.00 0.00 H ATOM 1441 HD21 ASN E 179 26.517 16.112 72.578 1.00 0.00 H ATOM 1442 HD22 ASN E 179 25.140 15.781 73.504 1.00 0.00 H ATOM 1443 N MET E 180 21.777 11.981 70.820 1.00 2.73 N ATOM 1444 CA MET E 180 20.700 11.028 71.065 1.00 5.08 C ATOM 1445 C MET E 180 20.133 10.464 69.784 1.00 3.61 C ATOM 1446 O MET E 180 20.297 11.106 68.748 1.00 4.66 O ATOM 1447 CB MET E 180 19.565 11.707 71.829 1.00 5.19 C ATOM 1448 CG MET E 180 19.960 12.270 73.221 1.00 2.00 C ATOM 1449 SD MET E 180 18.531 13.097 73.965 1.00 3.13 S ATOM 1450 CE MET E 180 19.286 13.943 75.342 1.00 2.00 C ATOM 1451 H MET E 180 21.636 12.647 70.114 1.00 0.00 H ATOM 1452 N PHE E 181 19.517 9.290 69.814 1.00 2.36 N ATOM 1453 CA PHE E 181 18.715 8.853 68.682 1.00 4.96 C ATOM 1454 C PHE E 181 17.563 8.046 69.280 1.00 6.33 C ATOM 1455 O PHE E 181 17.665 7.649 70.445 1.00 2.00 O ATOM 1456 CB PHE E 181 19.534 7.979 67.717 1.00 4.74 C ATOM 1457 CG PHE E 181 20.064 6.670 68.251 1.00 2.00 C ATOM 1458 CD1 PHE E 181 19.287 5.524 68.176 1.00 2.62 C ATOM 1459 CD2 PHE E 181 21.336 6.589 68.791 1.00 3.35 C ATOM 1460 CE1 PHE E 181 19.766 4.313 68.627 1.00 3.07 C ATOM 1461 CE2 PHE E 181 21.822 5.383 69.243 1.00 2.00 C ATOM 1462 CZ PHE E 181 21.042 4.253 69.159 1.00 2.00 C ATOM 1463 H PHE E 181 19.555 8.730 70.623 1.00 0.00 H ATOM 1464 N CYS E 182 16.534 7.819 68.472 1.00 2.00 N ATOM 1465 CA CYS E 182 15.374 7.016 68.822 1.00 5.23 C ATOM 1466 C CYS E 182 15.473 5.706 68.061 1.00 4.96 C ATOM 1467 O CYS E 182 15.898 5.671 66.899 1.00 3.62 O ATOM 1468 CB CYS E 182 14.010 7.629 68.405 1.00 4.62 C ATOM 1469 SG CYS E 182 13.517 9.239 69.120 1.00 2.39 S ATOM 1470 H CYS E 182 16.551 8.255 67.592 1.00 0.00 H ATOM 1471 N ALA E 183 15.088 4.635 68.740 1.00 3.13 N ATOM 1472 CA ALA E 183 15.003 3.329 68.135 1.00 2.00 C ATOM 1473 C ALA E 183 13.738 2.680 68.674 1.00 4.91 C ATOM 1474 O ALA E 183 13.304 2.945 69.806 1.00 2.00 O ATOM 1475 CB ALA E 183 16.192 2.448 68.482 1.00 2.00 C ATOM 1476 H ALA E 183 14.860 4.737 69.693 1.00 0.00 H ATOM 1477 N GLY E 184A 13.097 1.836 67.853 1.00 7.49 N ATOM 1478 CA GLY E 184A 11.911 1.148 68.326 1.00 4.31 C ATOM 1479 C GLY E 184A 10.817 1.241 67.291 1.00 7.70 C ATOM 1480 O GLY E 184A 11.106 1.264 66.091 1.00 2.00 O ATOM 1481 H GLY E 184A 13.417 1.701 66.929 1.00 0.00 H ATOM 1482 N TYR E 184 9.579 1.308 67.751 1.00 6.99 N ATOM 1483 CA TYR E 184 8.379 1.213 66.933 1.00 7.77 C ATOM 1484 C TYR E 184 7.380 2.269 67.365 1.00 10.83 C ATOM 1485 O TYR E 184 7.022 2.404 68.556 1.00 12.08 O ATOM 1486 CB TYR E 184 7.711 -0.184 67.090 1.00 5.15 C ATOM 1487 CG TYR E 184 8.602 -1.345 66.710 1.00 4.02 C ATOM 1488 CD1 TYR E 184 9.540 -1.853 67.589 1.00 6.94 C ATOM 1489 CD2 TYR E 184 8.553 -1.878 65.436 1.00 6.67 C ATOM 1490 CE1 TYR E 184 10.394 -2.867 67.191 1.00 9.92 C ATOM 1491 CE2 TYR E 184 9.405 -2.897 65.032 1.00 6.73 C ATOM 1492 CZ TYR E 184 10.341 -3.381 65.917 1.00 6.34 C ATOM 1493 OH TYR E 184 11.251 -4.348 65.531 1.00 4.52 O ATOM 1494 H TYR E 184 9.438 1.354 68.722 1.00 0.00 H ATOM 1495 HH TYR E 184 11.932 -4.468 66.199 1.00 0.00 H ATOM 1496 N LEU E 185 6.908 3.008 66.365 1.00 12.25 N ATOM 1497 CA LEU E 185 5.941 4.077 66.646 1.00 11.09 C ATOM 1498 C LEU E 185 4.548 3.527 66.872 1.00 10.87 C ATOM 1499 O LEU E 185 3.704 4.199 67.466 1.00 9.44 O ATOM 1500 CB LEU E 185 5.887 5.077 65.510 1.00 6.72 C ATOM 1501 CG LEU E 185 7.177 5.709 65.157 1.00 9.11 C ATOM 1502 CD1 LEU E 185 7.000 6.634 63.954 1.00 5.67 C ATOM 1503 CD2 LEU E 185 7.634 6.507 66.360 1.00 6.47 C ATOM 1504 H LEU E 185 7.212 2.817 65.447 1.00 0.00 H ATOM 1505 N GLU E 186 4.326 2.284 66.463 1.00 14.68 N ATOM 1506 CA GLU E 186 3.054 1.599 66.706 1.00 22.63 C ATOM 1507 C GLU E 186 2.917 1.266 68.199 1.00 23.89 C ATOM 1508 O GLU E 186 1.778 1.142 68.675 1.00 25.68 O ATOM 1509 CB GLU E 186 2.939 0.265 65.942 1.00 28.12 C ATOM 1510 CG GLU E 186 3.594 0.189 64.566 1.00 41.57 C ATOM 1511 CD GLU E 186 5.075 -0.200 64.548 1.00 45.20 C ATOM 1512 OE1 GLU E 186 5.359 -1.407 64.702 1.00 47.08 O ATOM 1513 OE2 GLU E 186 5.955 0.683 64.375 1.00 49.16 O ATOM 1514 H GLU E 186 5.007 1.817 65.929 1.00 0.00 H ATOM 1515 N GLY E 187 4.052 1.217 68.915 1.00 20.96 N ATOM 1516 CA GLY E 187 4.065 0.856 70.311 1.00 20.11 C ATOM 1517 C GLY E 187 4.151 -0.657 70.484 1.00 19.14 C ATOM 1518 O GLY E 187 4.262 -1.379 69.497 1.00 18.62 O ATOM 1519 H GLY E 187 4.911 1.411 68.493 1.00 0.00 H ATOM 1520 N GLY E 188A 4.207 -1.163 71.721 1.00 19.53 N ATOM 1521 CA GLY E 188A 4.200 -2.596 71.995 1.00 10.94 C ATOM 1522 C GLY E 188A 5.547 -3.257 72.101 1.00 5.62 C ATOM 1523 O GLY E 188A 5.593 -4.376 72.599 1.00 5.07 O ATOM 1524 H GLY E 188A 4.281 -0.541 72.471 1.00 0.00 H ATOM 1525 N LYS E 188 6.641 -2.673 71.638 1.00 6.02 N ATOM 1526 CA LYS E 188 7.949 -3.283 71.778 1.00 8.65 C ATOM 1527 C LYS E 188 8.894 -2.145 72.150 1.00 9.47 C ATOM 1528 O LYS E 188 8.954 -1.180 71.382 1.00 9.56 O ATOM 1529 CB LYS E 188 8.366 -3.887 70.465 1.00 11.36 C ATOM 1530 CG LYS E 188 7.510 -4.986 69.893 1.00 17.50 C ATOM 1531 CD LYS E 188 8.170 -5.481 68.626 1.00 24.58 C ATOM 1532 CE LYS E 188 7.425 -6.721 68.222 1.00 31.79 C ATOM 1533 NZ LYS E 188 8.233 -7.518 67.269 1.00 37.93 N ATOM 1534 H LYS E 188 6.616 -1.781 71.236 1.00 0.00 H ATOM 1535 HZ1 LYS E 188 9.132 -7.749 67.741 1.00 0.00 H ATOM 1536 HZ2 LYS E 188 7.713 -8.392 67.061 1.00 0.00 H ATOM 1537 HZ3 LYS E 188 8.403 -6.956 66.412 1.00 0.00 H ATOM 1538 N ASP E 189 9.605 -2.211 73.274 1.00 9.37 N ATOM 1539 CA ASP E 189 10.559 -1.142 73.682 1.00 5.16 C ATOM 1540 C ASP E 189 11.493 -1.602 74.805 1.00 2.41 C ATOM 1541 O ASP E 189 11.240 -2.664 75.411 1.00 2.00 O ATOM 1542 CB ASP E 189 9.795 0.040 74.210 1.00 2.00 C ATOM 1543 CG ASP E 189 10.485 1.388 74.295 1.00 2.13 C ATOM 1544 OD1 ASP E 189 11.619 1.597 73.842 1.00 2.00 O ATOM 1545 OD2 ASP E 189 9.862 2.322 74.815 1.00 2.47 O ATOM 1546 H ASP E 189 9.517 -3.005 73.846 1.00 0.00 H ATOM 1547 N SER E 190 12.522 -0.819 75.146 1.00 2.00 N ATOM 1548 CA SER E 190 13.254 -1.040 76.380 1.00 2.00 C ATOM 1549 C SER E 190 12.412 -0.357 77.477 1.00 7.39 C ATOM 1550 O SER E 190 11.643 0.602 77.210 1.00 2.50 O ATOM 1551 CB SER E 190 14.631 -0.427 76.261 1.00 4.85 C ATOM 1552 OG SER E 190 14.611 0.958 75.982 1.00 5.05 O ATOM 1553 H SER E 190 12.751 -0.069 74.542 1.00 0.00 H ATOM 1554 HG SER E 190 15.529 1.247 75.991 1.00 0.00 H ATOM 1555 N CYS E 191 12.547 -0.797 78.726 1.00 4.26 N ATOM 1556 CA CYS E 191 11.775 -0.273 79.853 1.00 2.01 C ATOM 1557 C CYS E 191 12.630 -0.191 81.147 1.00 5.54 C ATOM 1558 O CYS E 191 13.837 -0.471 81.102 1.00 2.00 O ATOM 1559 CB CYS E 191 10.593 -1.193 80.045 1.00 5.85 C ATOM 1560 SG CYS E 191 9.274 -0.328 80.931 1.00 6.81 S ATOM 1561 H CYS E 191 13.265 -1.419 78.951 1.00 0.00 H ATOM 1562 N GLN E 192 12.075 0.132 82.323 1.00 2.96 N ATOM 1563 CA GLN E 192 12.874 0.330 83.528 1.00 6.98 C ATOM 1564 C GLN E 192 13.656 -0.896 83.923 1.00 2.73 C ATOM 1565 O GLN E 192 13.106 -1.991 83.965 1.00 6.48 O ATOM 1566 CB GLN E 192 11.974 0.748 84.640 1.00 6.77 C ATOM 1567 CG GLN E 192 11.812 2.242 84.624 1.00 12.24 C ATOM 1568 CD GLN E 192 11.005 2.839 83.482 1.00 18.95 C ATOM 1569 OE1 GLN E 192 10.054 2.235 82.971 1.00 20.28 O ATOM 1570 NE2 GLN E 192 11.365 4.046 83.048 1.00 16.61 N ATOM 1571 H GLN E 192 11.103 0.278 82.365 1.00 0.00 H ATOM 1572 HE21 GLN E 192 10.862 4.377 82.291 1.00 0.00 H ATOM 1573 HE22 GLN E 192 12.105 4.498 83.500 1.00 0.00 H ATOM 1574 N GLY E 193 14.928 -0.736 84.207 1.00 2.00 N ATOM 1575 CA GLY E 193 15.764 -1.894 84.446 1.00 4.00 C ATOM 1576 C GLY E 193 16.732 -2.154 83.297 1.00 5.54 C ATOM 1577 O GLY E 193 17.792 -2.752 83.542 1.00 2.00 O ATOM 1578 H GLY E 193 15.313 0.150 84.279 1.00 0.00 H ATOM 1579 N ASP E 194 16.353 -1.727 82.081 1.00 2.00 N ATOM 1580 CA ASP E 194 17.178 -1.878 80.893 1.00 2.00 C ATOM 1581 C ASP E 194 18.224 -0.768 80.743 1.00 3.24 C ATOM 1582 O ASP E 194 19.123 -0.869 79.887 1.00 2.00 O ATOM 1583 CB ASP E 194 16.277 -1.890 79.643 1.00 5.89 C ATOM 1584 CG ASP E 194 15.398 -3.117 79.494 1.00 2.00 C ATOM 1585 OD1 ASP E 194 15.830 -4.237 79.793 1.00 2.17 O ATOM 1586 OD2 ASP E 194 14.247 -3.004 79.033 1.00 2.00 O ATOM 1587 H ASP E 194 15.464 -1.333 81.954 1.00 0.00 H ATOM 1588 N SER E 195 18.132 0.336 81.495 1.00 2.00 N ATOM 1589 CA SER E 195 19.098 1.431 81.382 1.00 2.00 C ATOM 1590 C SER E 195 20.556 1.049 81.451 1.00 2.00 C ATOM 1591 O SER E 195 20.973 0.220 82.262 1.00 3.62 O ATOM 1592 CB SER E 195 18.936 2.448 82.452 1.00 2.00 C ATOM 1593 OG SER E 195 17.980 3.397 82.025 1.00 3.44 O ATOM 1594 H SER E 195 17.397 0.420 82.134 1.00 0.00 H ATOM 1595 HG SER E 195 17.661 3.915 82.750 1.00 0.00 H ATOM 1596 N GLY E 196 21.280 1.672 80.547 1.00 2.00 N ATOM 1597 CA GLY E 196 22.696 1.510 80.521 1.00 3.00 C ATOM 1598 C GLY E 196 23.106 0.348 79.672 1.00 2.00 C ATOM 1599 O GLY E 196 24.289 0.243 79.412 1.00 2.62 O ATOM 1600 H GLY E 196 20.871 2.250 79.873 1.00 0.00 H ATOM 1601 N GLY E 197 22.157 -0.471 79.235 1.00 2.00 N ATOM 1602 CA GLY E 197 22.465 -1.608 78.408 1.00 2.00 C ATOM 1603 C GLY E 197 22.709 -1.276 76.939 1.00 3.32 C ATOM 1604 O GLY E 197 22.439 -0.173 76.472 1.00 2.00 O ATOM 1605 H GLY E 197 21.229 -0.346 79.523 1.00 0.00 H ATOM 1606 N PRO E 198 23.106 -2.287 76.164 1.00 6.47 N ATOM 1607 CA PRO E 198 23.507 -2.177 74.753 1.00 2.00 C ATOM 1608 C PRO E 198 22.415 -2.108 73.675 1.00 4.83 C ATOM 1609 O PRO E 198 21.360 -2.769 73.789 1.00 2.00 O ATOM 1610 CB PRO E 198 24.410 -3.368 74.590 1.00 2.00 C ATOM 1611 CG PRO E 198 23.673 -4.414 75.361 1.00 4.51 C ATOM 1612 CD PRO E 198 23.265 -3.673 76.624 1.00 2.49 C ATOM 1613 N VAL E 199 22.722 -1.289 72.662 1.00 2.00 N ATOM 1614 CA VAL E 199 22.039 -1.298 71.382 1.00 2.00 C ATOM 1615 C VAL E 199 23.213 -1.590 70.458 1.00 2.61 C ATOM 1616 O VAL E 199 24.145 -0.776 70.282 1.00 2.00 O ATOM 1617 CB VAL E 199 21.480 0.019 70.964 1.00 2.00 C ATOM 1618 CG1 VAL E 199 20.749 -0.167 69.664 1.00 2.00 C ATOM 1619 CG2 VAL E 199 20.541 0.525 72.049 1.00 4.98 C ATOM 1620 H VAL E 199 23.463 -0.651 72.779 1.00 0.00 H ATOM 1621 N VAL E 200 23.162 -2.802 69.946 1.00 2.00 N ATOM 1622 CA VAL E 200 24.203 -3.289 69.074 1.00 2.67 C ATOM 1623 C VAL E 200 23.656 -3.390 67.648 1.00 4.46 C ATOM 1624 O VAL E 200 22.591 -3.980 67.436 1.00 2.00 O ATOM 1625 CB VAL E 200 24.692 -4.679 69.587 1.00 2.00 C ATOM 1626 CG1 VAL E 200 25.526 -5.395 68.562 1.00 2.00 C ATOM 1627 CG2 VAL E 200 25.619 -4.462 70.759 1.00 2.78 C ATOM 1628 H VAL E 200 22.393 -3.382 70.131 1.00 0.00 H ATOM 1629 N CYS E 201 24.413 -2.866 66.689 1.00 2.00 N ATOM 1630 CA CYS E 201 24.027 -2.898 65.287 1.00 8.00 C ATOM 1631 C CYS E 201 25.265 -3.323 64.480 1.00 9.88 C ATOM 1632 O CYS E 201 26.389 -2.854 64.699 1.00 7.67 O ATOM 1633 CB CYS E 201 23.566 -1.523 64.829 1.00 2.63 C ATOM 1634 SG CYS E 201 22.628 -0.622 66.077 1.00 8.87 S ATOM 1635 H CYS E 201 25.273 -2.451 66.907 1.00 0.00 H ATOM 1636 N SER E 202 25.078 -4.375 63.676 1.00 14.45 N ATOM 1637 CA SER E 202 26.148 -4.953 62.849 1.00 12.81 C ATOM 1638 C SER E 202 27.398 -5.307 63.680 1.00 10.26 C ATOM 1639 O SER E 202 28.531 -5.118 63.230 1.00 13.54 O ATOM 1640 CB SER E 202 26.465 -3.931 61.721 1.00 14.64 C ATOM 1641 OG SER E 202 25.249 -3.462 61.114 1.00 22.76 O ATOM 1642 H SER E 202 24.186 -4.782 63.656 1.00 0.00 H ATOM 1643 HG SER E 202 24.774 -4.216 60.746 1.00 0.00 H ATOM 1644 N GLY E 203 27.211 -5.823 64.904 1.00 7.27 N ATOM 1645 CA GLY E 203 28.342 -6.192 65.766 1.00 4.58 C ATOM 1646 C GLY E 203 29.058 -4.990 66.400 1.00 7.48 C ATOM 1647 O GLY E 203 30.178 -5.119 66.917 1.00 12.74 O ATOM 1648 H GLY E 203 26.301 -5.938 65.241 1.00 0.00 H ATOM 1649 N LYS E 204 28.488 -3.794 66.332 1.00 2.00 N ATOM 1650 CA LYS E 204 29.110 -2.632 66.946 1.00 2.62 C ATOM 1651 C LYS E 204 28.161 -2.006 67.957 1.00 4.80 C ATOM 1652 O LYS E 204 26.953 -2.013 67.655 1.00 7.32 O ATOM 1653 CB LYS E 204 29.471 -1.591 65.889 1.00 4.75 C ATOM 1654 CG LYS E 204 30.891 -1.681 65.407 1.00 4.43 C ATOM 1655 CD LYS E 204 30.988 -2.728 64.372 1.00 16.94 C ATOM 1656 CE LYS E 204 32.354 -3.368 64.365 1.00 24.38 C ATOM 1657 NZ LYS E 204 33.452 -2.380 64.216 1.00 28.25 N ATOM 1658 H LYS E 204 27.632 -3.656 65.884 1.00 0.00 H ATOM 1659 HZ1 LYS E 204 33.415 -1.701 65.002 1.00 0.00 H ATOM 1660 HZ2 LYS E 204 34.339 -2.914 64.223 1.00 0.00 H ATOM 1661 HZ3 LYS E 204 33.325 -1.906 63.301 1.00 0.00 H ATOM 1662 N LEU E 209 28.649 -1.498 69.121 1.00 4.17 N ATOM 1663 CA LEU E 209 27.792 -0.832 70.128 1.00 4.24 C ATOM 1664 C LEU E 209 27.454 0.583 69.665 1.00 4.01 C ATOM 1665 O LEU E 209 28.306 1.473 69.685 1.00 3.28 O ATOM 1666 CB LEU E 209 28.480 -0.728 71.501 1.00 2.00 C ATOM 1667 CG LEU E 209 27.714 -0.030 72.688 1.00 4.15 C ATOM 1668 CD1 LEU E 209 26.481 -0.814 73.084 1.00 2.00 C ATOM 1669 CD2 LEU E 209 28.658 0.115 73.868 1.00 2.00 C ATOM 1670 H LEU E 209 29.600 -1.599 69.311 1.00 0.00 H ATOM 1671 N GLN E 210 26.224 0.806 69.247 1.00 7.37 N ATOM 1672 CA GLN E 210 25.821 2.113 68.748 1.00 3.29 C ATOM 1673 C GLN E 210 25.085 2.983 69.729 1.00 5.58 C ATOM 1674 O GLN E 210 24.978 4.213 69.528 1.00 7.93 O ATOM 1675 CB GLN E 210 24.926 1.953 67.505 1.00 2.00 C ATOM 1676 CG GLN E 210 25.639 1.436 66.261 1.00 5.53 C ATOM 1677 CD GLN E 210 26.708 2.365 65.694 1.00 8.05 C ATOM 1678 OE1 GLN E 210 27.387 1.980 64.756 1.00 9.99 O ATOM 1679 NE2 GLN E 210 26.944 3.600 66.105 1.00 8.62 N ATOM 1680 H GLN E 210 25.586 0.059 69.222 1.00 0.00 H ATOM 1681 HE21 GLN E 210 27.625 4.103 65.616 1.00 0.00 H ATOM 1682 HE22 GLN E 210 26.445 3.919 66.880 1.00 0.00 H ATOM 1683 N GLY E 211 24.464 2.316 70.685 1.00 4.93 N ATOM 1684 CA GLY E 211 23.662 3.056 71.629 1.00 7.57 C ATOM 1685 C GLY E 211 23.669 2.487 73.027 1.00 3.85 C ATOM 1686 O GLY E 211 24.011 1.310 73.247 1.00 6.83 O ATOM 1687 H GLY E 211 24.546 1.340 70.785 1.00 0.00 H ATOM 1688 N ILE E 212 23.210 3.328 73.938 1.00 2.00 N ATOM 1689 CA ILE E 212 23.095 2.946 75.338 1.00 2.00 C ATOM 1690 C ILE E 212 21.659 3.293 75.722 1.00 2.00 C ATOM 1691 O ILE E 212 21.177 4.390 75.390 1.00 2.00 O ATOM 1692 CB ILE E 212 24.054 3.747 76.243 1.00 2.68 C ATOM 1693 CG1 ILE E 212 25.483 3.476 75.908 1.00 2.00 C ATOM 1694 CG2 ILE E 212 23.837 3.340 77.714 1.00 2.00 C ATOM 1695 CD1 ILE E 212 26.406 4.463 76.579 1.00 2.00 C ATOM 1696 H ILE E 212 22.930 4.225 73.652 1.00 0.00 H ATOM 1697 N VAL E 213 20.970 2.366 76.376 1.00 2.00 N ATOM 1698 CA VAL E 213 19.593 2.627 76.799 1.00 2.00 C ATOM 1699 C VAL E 213 19.612 3.799 77.805 1.00 2.30 C ATOM 1700 O VAL E 213 20.325 3.748 78.823 1.00 2.00 O ATOM 1701 CB VAL E 213 18.961 1.366 77.469 1.00 2.00 C ATOM 1702 CG1 VAL E 213 17.509 1.640 77.818 1.00 2.00 C ATOM 1703 CG2 VAL E 213 19.151 0.160 76.559 1.00 2.00 C ATOM 1704 H VAL E 213 21.407 1.514 76.593 1.00 0.00 H ATOM 1705 N SER E 214 18.792 4.795 77.519 1.00 2.00 N ATOM 1706 CA SER E 214 18.779 5.974 78.322 1.00 2.00 C ATOM 1707 C SER E 214 17.383 6.366 78.792 1.00 6.79 C ATOM 1708 O SER E 214 17.149 6.205 80.007 1.00 7.22 O ATOM 1709 CB SER E 214 19.474 7.067 77.493 1.00 2.00 C ATOM 1710 OG SER E 214 19.295 8.320 78.110 1.00 2.00 O ATOM 1711 H SER E 214 18.191 4.745 76.748 1.00 0.00 H ATOM 1712 HG SER E 214 19.899 8.965 77.737 1.00 0.00 H ATOM 1713 N TRP E 215 16.445 6.836 77.946 1.00 4.14 N ATOM 1714 CA TRP E 215 15.152 7.305 78.453 1.00 4.07 C ATOM 1715 C TRP E 215 13.964 7.199 77.492 1.00 2.00 C ATOM 1716 O TRP E 215 14.062 6.642 76.409 1.00 3.87 O ATOM 1717 CB TRP E 215 15.268 8.763 78.886 1.00 2.00 C ATOM 1718 CG TRP E 215 15.582 9.736 77.799 1.00 2.00 C ATOM 1719 CD1 TRP E 215 16.840 10.046 77.386 1.00 2.07 C ATOM 1720 CD2 TRP E 215 14.685 10.600 77.116 1.00 2.00 C ATOM 1721 NE1 TRP E 215 16.782 11.074 76.506 1.00 2.00 N ATOM 1722 CE2 TRP E 215 15.496 11.423 76.322 1.00 2.00 C ATOM 1723 CE3 TRP E 215 13.304 10.796 77.049 1.00 2.00 C ATOM 1724 CZ2 TRP E 215 15.016 12.414 75.492 1.00 2.01 C ATOM 1725 CZ3 TRP E 215 12.813 11.774 76.218 1.00 2.00 C ATOM 1726 CH2 TRP E 215 13.666 12.571 75.454 1.00 2.00 C ATOM 1727 H TRP E 215 16.650 6.931 76.991 1.00 0.00 H ATOM 1728 HE1 TRP E 215 17.550 11.505 76.073 1.00 0.00 H ATOM 1729 N GLY E 216 12.819 7.740 77.840 1.00 2.84 N ATOM 1730 CA GLY E 216 11.635 7.726 77.015 1.00 2.42 C ATOM 1731 C GLY E 216 10.425 8.125 77.840 1.00 4.66 C ATOM 1732 O GLY E 216 10.533 8.269 79.082 1.00 3.43 O ATOM 1733 H GLY E 216 12.729 8.111 78.740 1.00 0.00 H ATOM 1734 N SER E 217 9.294 8.392 77.181 1.00 5.79 N ATOM 1735 CA SER E 217 8.041 8.624 77.912 1.00 5.41 C ATOM 1736 C SER E 217 7.345 7.274 78.049 1.00 4.06 C ATOM 1737 O SER E 217 6.647 6.754 77.173 1.00 4.41 O ATOM 1738 CB SER E 217 7.088 9.568 77.156 1.00 5.52 C ATOM 1739 OG SER E 217 7.897 10.643 76.713 1.00 12.00 O ATOM 1740 H SER E 217 9.301 8.479 76.198 1.00 0.00 H ATOM 1741 HG SER E 217 8.117 11.225 77.443 1.00 0.00 H ATOM 1742 N GLY E 219 7.530 6.699 79.220 1.00 5.31 N ATOM 1743 CA GLY E 219 6.985 5.375 79.461 1.00 5.26 C ATOM 1744 C GLY E 219 7.767 4.331 78.670 1.00 4.80 C ATOM 1745 O GLY E 219 8.928 4.534 78.295 1.00 10.12 O ATOM 1746 H GLY E 219 8.074 7.131 79.904 1.00 0.00 H ATOM 1747 N CYS E 220 7.093 3.273 78.308 1.00 3.18 N ATOM 1748 CA CYS E 220 7.690 2.138 77.637 1.00 5.62 C ATOM 1749 C CYS E 220 6.619 1.646 76.716 1.00 3.55 C ATOM 1750 O CYS E 220 5.472 1.488 77.159 1.00 2.00 O ATOM 1751 CB CYS E 220 7.993 0.980 78.556 1.00 7.19 C ATOM 1752 SG CYS E 220 9.100 1.426 79.915 1.00 8.80 S ATOM 1753 H CYS E 220 6.138 3.267 78.471 1.00 0.00 H ATOM 1754 N ALA E 221A 7.057 1.397 75.480 1.00 4.01 N ATOM 1755 CA ALA E 221A 6.238 0.844 74.421 1.00 3.03 C ATOM 1756 C ALA E 221A 4.953 1.623 74.114 1.00 7.05 C ATOM 1757 O ALA E 221A 3.966 1.052 73.654 1.00 6.53 O ATOM 1758 CB ALA E 221A 5.955 -0.589 74.814 1.00 2.00 C ATOM 1759 H ALA E 221A 7.975 1.664 75.229 1.00 0.00 H ATOM 1760 N GLN E 221 4.913 2.924 74.367 1.00 13.62 N ATOM 1761 CA GLN E 221 3.773 3.770 74.036 1.00 19.39 C ATOM 1762 C GLN E 221 3.802 4.197 72.549 1.00 20.12 C ATOM 1763 O GLN E 221 4.849 4.357 71.906 1.00 24.15 O ATOM 1764 CB GLN E 221 3.797 4.998 74.917 1.00 26.44 C ATOM 1765 CG GLN E 221 3.761 4.645 76.388 1.00 36.67 C ATOM 1766 CD GLN E 221 2.383 4.264 76.887 1.00 41.69 C ATOM 1767 OE1 GLN E 221 1.759 5.068 77.566 1.00 48.52 O ATOM 1768 NE2 GLN E 221 1.800 3.106 76.622 1.00 42.67 N ATOM 1769 H GLN E 221 5.734 3.347 74.714 1.00 0.00 H ATOM 1770 HE21 GLN E 221 0.886 3.017 76.963 1.00 0.00 H ATOM 1771 HE22 GLN E 221 2.278 2.436 76.098 1.00 0.00 H ATOM 1772 N LYS E 222 2.617 4.339 71.973 1.00 16.48 N ATOM 1773 CA LYS E 222 2.416 4.773 70.607 1.00 12.72 C ATOM 1774 C LYS E 222 3.100 6.110 70.433 1.00 13.29 C ATOM 1775 O LYS E 222 2.918 7.010 71.247 1.00 15.18 O ATOM 1776 CB LYS E 222 0.932 4.899 70.375 1.00 20.23 C ATOM 1777 CG LYS E 222 0.438 4.175 69.158 1.00 29.72 C ATOM 1778 CD LYS E 222 0.457 5.121 67.964 1.00 40.64 C ATOM 1779 CE LYS E 222 0.383 4.419 66.601 1.00 48.32 C ATOM 1780 NZ LYS E 222 -0.829 3.557 66.502 1.00 54.67 N ATOM 1781 H LYS E 222 1.834 4.133 72.514 1.00 0.00 H ATOM 1782 HZ1 LYS E 222 -0.792 2.836 67.253 1.00 0.00 H ATOM 1783 HZ2 LYS E 222 -1.673 4.152 66.623 1.00 0.00 H ATOM 1784 HZ3 LYS E 222 -0.844 3.096 65.574 1.00 0.00 H ATOM 1785 N ASN E 223 3.916 6.224 69.404 1.00 12.07 N ATOM 1786 CA ASN E 223 4.612 7.438 69.019 1.00 15.64 C ATOM 1787 C ASN E 223 5.571 7.960 70.081 1.00 14.54 C ATOM 1788 O ASN E 223 5.910 9.162 70.098 1.00 13.85 O ATOM 1789 CB ASN E 223 3.607 8.569 68.666 1.00 19.91 C ATOM 1790 CG ASN E 223 2.657 8.202 67.533 1.00 26.48 C ATOM 1791 OD1 ASN E 223 2.981 7.451 66.603 1.00 28.39 O ATOM 1792 ND2 ASN E 223 1.424 8.690 67.592 1.00 28.82 N ATOM 1793 H ASN E 223 4.039 5.437 68.843 1.00 0.00 H ATOM 1794 HD21 ASN E 223 0.881 8.509 66.798 1.00 0.00 H ATOM 1795 HD22 ASN E 223 1.120 9.221 68.353 1.00 0.00 H ATOM 1796 N LYS E 224 6.016 7.126 71.015 1.00 13.52 N ATOM 1797 CA LYS E 224 6.996 7.565 71.994 1.00 11.77 C ATOM 1798 C LYS E 224 8.034 6.454 72.001 1.00 10.12 C ATOM 1799 O LYS E 224 8.087 5.616 72.887 1.00 8.59 O ATOM 1800 CB LYS E 224 6.301 7.771 73.376 1.00 18.72 C ATOM 1801 CG LYS E 224 5.284 8.927 73.475 1.00 21.67 C ATOM 1802 CD LYS E 224 6.016 10.268 73.260 1.00 29.98 C ATOM 1803 CE LYS E 224 5.246 11.488 72.696 1.00 33.07 C ATOM 1804 NZ LYS E 224 4.856 11.400 71.254 1.00 33.84 N ATOM 1805 H LYS E 224 5.666 6.208 71.082 1.00 0.00 H ATOM 1806 HZ1 LYS E 224 4.276 10.550 71.113 1.00 0.00 H ATOM 1807 HZ2 LYS E 224 4.318 12.253 71.009 1.00 0.00 H ATOM 1808 HZ3 LYS E 224 5.705 11.330 70.661 1.00 0.00 H ATOM 1809 N PRO E 225 8.895 6.381 70.971 1.00 6.29 N ATOM 1810 CA PRO E 225 9.983 5.404 70.941 1.00 2.78 C ATOM 1811 C PRO E 225 11.052 5.661 72.022 1.00 4.19 C ATOM 1812 O PRO E 225 11.116 6.759 72.603 1.00 3.89 O ATOM 1813 CB PRO E 225 10.478 5.518 69.500 1.00 5.45 C ATOM 1814 CG PRO E 225 10.420 6.980 69.266 1.00 2.00 C ATOM 1815 CD PRO E 225 9.077 7.363 69.872 1.00 3.69 C ATOM 1816 N GLY E 226 11.868 4.641 72.316 1.00 2.04 N ATOM 1817 CA GLY E 226 12.953 4.826 73.252 1.00 2.00 C ATOM 1818 C GLY E 226 14.032 5.709 72.695 1.00 2.00 C ATOM 1819 O GLY E 226 14.295 5.663 71.500 1.00 2.00 O ATOM 1820 H GLY E 226 11.683 3.733 72.002 1.00 0.00 H ATOM 1821 N VAL E 227 14.670 6.483 73.553 1.00 2.20 N ATOM 1822 CA VAL E 227 15.784 7.363 73.222 1.00 2.61 C ATOM 1823 C VAL E 227 17.003 6.751 73.909 1.00 2.00 C ATOM 1824 O VAL E 227 16.951 6.199 75.034 1.00 2.00 O ATOM 1825 CB VAL E 227 15.536 8.789 73.744 1.00 3.28 C ATOM 1826 CG1 VAL E 227 16.507 9.757 73.086 1.00 2.00 C ATOM 1827 CG2 VAL E 227 14.111 9.192 73.451 1.00 6.87 C ATOM 1828 H VAL E 227 14.404 6.459 74.486 1.00 0.00 H ATOM 1829 N TYR E 228 18.060 6.892 73.117 1.00 2.00 N ATOM 1830 CA TYR E 228 19.341 6.219 73.328 1.00 3.37 C ATOM 1831 C TYR E 228 20.562 7.112 73.154 1.00 4.69 C ATOM 1832 O TYR E 228 20.567 7.947 72.245 1.00 2.00 O ATOM 1833 CB TYR E 228 19.478 5.050 72.336 1.00 2.78 C ATOM 1834 CG TYR E 228 18.396 4.014 72.461 1.00 2.00 C ATOM 1835 CD1 TYR E 228 18.572 2.965 73.339 1.00 2.73 C ATOM 1836 CD2 TYR E 228 17.206 4.102 71.763 1.00 4.38 C ATOM 1837 CE1 TYR E 228 17.566 2.052 73.581 1.00 5.46 C ATOM 1838 CE2 TYR E 228 16.182 3.189 72.003 1.00 7.04 C ATOM 1839 CZ TYR E 228 16.377 2.161 72.898 1.00 5.22 C ATOM 1840 OH TYR E 228 15.376 1.274 73.166 1.00 6.35 O ATOM 1841 H TYR E 228 17.995 7.443 72.309 1.00 0.00 H ATOM 1842 HH TYR E 228 15.683 0.618 73.788 1.00 0.00 H ATOM 1843 N THR E 229 21.574 6.939 73.986 1.00 2.00 N ATOM 1844 CA THR E 229 22.802 7.705 73.854 1.00 2.87 C ATOM 1845 C THR E 229 23.574 7.231 72.618 1.00 2.00 C ATOM 1846 O THR E 229 23.854 6.019 72.457 1.00 2.00 O ATOM 1847 CB THR E 229 23.655 7.533 75.153 1.00 2.32 C ATOM 1848 OG1 THR E 229 22.777 7.814 76.252 1.00 2.00 O ATOM 1849 CG2 THR E 229 24.921 8.386 75.142 1.00 2.00 C ATOM 1850 H THR E 229 21.512 6.305 74.732 1.00 0.00 H ATOM 1851 HG1 THR E 229 22.601 8.753 76.281 1.00 0.00 H ATOM 1852 N LYS E 230 23.983 8.202 71.803 1.00 2.00 N ATOM 1853 CA LYS E 230 24.614 7.910 70.531 1.00 2.00 C ATOM 1854 C LYS E 230 26.118 7.730 70.716 1.00 2.00 C ATOM 1855 O LYS E 230 26.920 8.664 70.593 1.00 5.88 O ATOM 1856 CB LYS E 230 24.177 9.044 69.630 1.00 2.00 C ATOM 1857 CG LYS E 230 24.758 9.021 68.235 1.00 9.04 C ATOM 1858 CD LYS E 230 24.023 10.025 67.394 1.00 11.64 C ATOM 1859 CE LYS E 230 24.779 10.358 66.120 1.00 18.82 C ATOM 1860 NZ LYS E 230 23.904 11.179 65.250 1.00 19.40 N ATOM 1861 H LYS E 230 23.830 9.139 72.053 1.00 0.00 H ATOM 1862 HZ1 LYS E 230 23.029 10.636 65.069 1.00 0.00 H ATOM 1863 HZ2 LYS E 230 23.685 12.065 65.751 1.00 0.00 H ATOM 1864 HZ3 LYS E 230 24.413 11.350 64.367 1.00 0.00 H ATOM 1865 N VAL E 231 26.501 6.492 70.937 1.00 2.00 N ATOM 1866 CA VAL E 231 27.880 6.111 71.253 1.00 2.00 C ATOM 1867 C VAL E 231 28.926 6.527 70.214 1.00 2.82 C ATOM 1868 O VAL E 231 30.019 6.938 70.616 1.00 2.00 O ATOM 1869 CB VAL E 231 27.989 4.570 71.503 1.00 3.83 C ATOM 1870 CG1 VAL E 231 29.425 4.149 71.833 1.00 2.00 C ATOM 1871 CG2 VAL E 231 27.083 4.202 72.674 1.00 2.21 C ATOM 1872 H VAL E 231 25.824 5.778 70.844 1.00 0.00 H ATOM 1873 N CYS E 232 28.659 6.502 68.904 1.00 5.16 N ATOM 1874 CA CYS E 232 29.647 6.983 67.898 1.00 7.18 C ATOM 1875 C CYS E 232 30.123 8.419 68.170 1.00 6.15 C ATOM 1876 O CYS E 232 31.277 8.704 67.857 1.00 10.13 O ATOM 1877 CB CYS E 232 29.076 6.941 66.469 1.00 6.92 C ATOM 1878 SG CYS E 232 27.613 8.005 66.190 1.00 4.91 S ATOM 1879 H CYS E 232 27.781 6.160 68.665 1.00 0.00 H ATOM 1880 N ASN E 233 29.357 9.273 68.869 1.00 2.00 N ATOM 1881 CA ASN E 233 29.839 10.614 69.211 1.00 3.89 C ATOM 1882 C ASN E 233 30.825 10.612 70.359 1.00 5.05 C ATOM 1883 O ASN E 233 31.453 11.649 70.619 1.00 4.44 O ATOM 1884 CB ASN E 233 28.736 11.604 69.644 1.00 4.66 C ATOM 1885 CG ASN E 233 27.728 11.913 68.539 1.00 11.88 C ATOM 1886 OD1 ASN E 233 27.918 11.545 67.372 1.00 10.40 O ATOM 1887 ND2 ASN E 233 26.599 12.554 68.837 1.00 9.11 N ATOM 1888 H ASN E 233 28.450 9.010 69.134 1.00 0.00 H ATOM 1889 HD21 ASN E 233 25.958 12.752 68.124 1.00 0.00 H ATOM 1890 HD22 ASN E 233 26.477 12.828 69.770 1.00 0.00 H ATOM 1891 N TYR E 234 31.009 9.467 71.003 1.00 4.99 N ATOM 1892 CA TYR E 234 31.850 9.389 72.171 1.00 2.19 C ATOM 1893 C TYR E 234 33.075 8.518 72.004 1.00 2.42 C ATOM 1894 O TYR E 234 33.853 8.365 72.962 1.00 3.16 O ATOM 1895 CB TYR E 234 31.020 8.888 73.354 1.00 2.00 C ATOM 1896 CG TYR E 234 29.949 9.864 73.788 1.00 2.56 C ATOM 1897 CD1 TYR E 234 30.228 10.999 74.558 1.00 2.00 C ATOM 1898 CD2 TYR E 234 28.655 9.646 73.343 1.00 2.00 C ATOM 1899 CE1 TYR E 234 29.229 11.909 74.850 1.00 2.00 C ATOM 1900 CE2 TYR E 234 27.659 10.545 73.631 1.00 2.00 C ATOM 1901 CZ TYR E 234 27.955 11.661 74.370 1.00 2.00 C ATOM 1902 OH TYR E 234 26.920 12.551 74.565 1.00 2.00 O ATOM 1903 H TYR E 234 30.580 8.658 70.675 1.00 0.00 H ATOM 1904 HH TYR E 234 27.175 13.243 75.154 1.00 0.00 H ATOM 1905 N VAL E 235 33.339 7.987 70.817 1.00 5.77 N ATOM 1906 CA VAL E 235 34.450 7.037 70.708 1.00 2.00 C ATOM 1907 C VAL E 235 35.817 7.627 71.091 1.00 2.00 C ATOM 1908 O VAL E 235 36.530 6.960 71.831 1.00 3.53 O ATOM 1909 CB VAL E 235 34.435 6.440 69.286 1.00 2.70 C ATOM 1910 CG1 VAL E 235 35.562 5.397 69.135 1.00 5.94 C ATOM 1911 CG2 VAL E 235 33.093 5.698 69.073 1.00 2.00 C ATOM 1912 H VAL E 235 32.790 8.214 70.036 1.00 0.00 H ATOM 1913 N SER E 236 36.174 8.856 70.733 1.00 2.23 N ATOM 1914 CA SER E 236 37.422 9.506 71.142 1.00 7.40 C ATOM 1915 C SER E 236 37.449 9.733 72.658 1.00 8.85 C ATOM 1916 O SER E 236 38.485 9.499 73.288 1.00 9.54 O ATOM 1917 CB SER E 236 37.564 10.862 70.489 1.00 11.46 C ATOM 1918 OG SER E 236 37.237 10.779 69.109 1.00 24.40 O ATOM 1919 H SER E 236 35.553 9.365 70.176 1.00 0.00 H ATOM 1920 HG SER E 236 37.488 11.581 68.640 1.00 0.00 H ATOM 1921 N TRP E 237 36.335 10.189 73.249 1.00 5.62 N ATOM 1922 CA TRP E 237 36.253 10.390 74.679 1.00 8.37 C ATOM 1923 C TRP E 237 36.565 9.080 75.387 1.00 9.40 C ATOM 1924 O TRP E 237 37.464 9.080 76.238 1.00 12.09 O ATOM 1925 CB TRP E 237 34.851 10.876 75.080 1.00 8.75 C ATOM 1926 CG TRP E 237 34.769 11.171 76.544 1.00 13.33 C ATOM 1927 CD1 TRP E 237 35.362 12.232 77.161 1.00 10.62 C ATOM 1928 CD2 TRP E 237 34.138 10.358 77.542 1.00 9.44 C ATOM 1929 NE1 TRP E 237 35.142 12.120 78.505 1.00 14.37 N ATOM 1930 CE2 TRP E 237 34.405 11.002 78.769 1.00 12.66 C ATOM 1931 CE3 TRP E 237 33.391 9.174 77.556 1.00 8.76 C ATOM 1932 CZ2 TRP E 237 33.964 10.509 79.981 1.00 6.07 C ATOM 1933 CZ3 TRP E 237 32.939 8.668 78.763 1.00 3.12 C ATOM 1934 CH2 TRP E 237 33.243 9.346 79.947 1.00 9.41 C ATOM 1935 H TRP E 237 35.541 10.387 72.707 1.00 0.00 H ATOM 1936 HE1 TRP E 237 35.470 12.765 79.168 1.00 0.00 H ATOM 1937 N ILE E 238 35.879 7.993 74.995 1.00 3.13 N ATOM 1938 CA ILE E 238 36.045 6.693 75.647 1.00 5.56 C ATOM 1939 C ILE E 238 37.529 6.270 75.522 1.00 5.45 C ATOM 1940 O ILE E 238 38.177 5.931 76.532 1.00 3.53 O ATOM 1941 CB ILE E 238 35.086 5.592 74.990 1.00 2.00 C ATOM 1942 CG1 ILE E 238 33.617 5.949 75.198 1.00 2.00 C ATOM 1943 CG2 ILE E 238 35.367 4.242 75.618 1.00 2.29 C ATOM 1944 CD1 ILE E 238 32.593 5.060 74.536 1.00 2.00 C ATOM 1945 H ILE E 238 35.254 8.077 74.245 1.00 0.00 H ATOM 1946 N LYS E 239 38.102 6.361 74.329 1.00 6.08 N ATOM 1947 CA LYS E 239 39.459 5.892 74.150 1.00 9.45 C ATOM 1948 C LYS E 239 40.460 6.664 74.986 1.00 4.56 C ATOM 1949 O LYS E 239 41.294 6.048 75.651 1.00 2.00 O ATOM 1950 CB LYS E 239 39.781 5.966 72.666 1.00 16.14 C ATOM 1951 CG LYS E 239 39.008 4.857 71.943 1.00 24.73 C ATOM 1952 CD LYS E 239 39.056 4.978 70.421 1.00 30.47 C ATOM 1953 CE LYS E 239 40.479 4.973 69.862 1.00 35.11 C ATOM 1954 NZ LYS E 239 40.497 5.058 68.379 1.00 36.93 N ATOM 1955 H LYS E 239 37.575 6.676 73.561 1.00 0.00 H ATOM 1956 HZ1 LYS E 239 39.959 4.254 67.998 1.00 0.00 H ATOM 1957 HZ2 LYS E 239 40.072 5.961 68.095 1.00 0.00 H ATOM 1958 HZ3 LYS E 239 41.483 4.997 68.054 1.00 0.00 H ATOM 1959 N GLN E 240 40.343 7.994 75.001 1.00 4.39 N ATOM 1960 CA GLN E 240 41.266 8.854 75.731 1.00 7.43 C ATOM 1961 C GLN E 240 41.133 8.666 77.233 1.00 8.64 C ATOM 1962 O GLN E 240 42.153 8.688 77.934 1.00 8.33 O ATOM 1963 CB GLN E 240 41.007 10.316 75.417 1.00 11.15 C ATOM 1964 CG GLN E 240 41.253 10.709 73.959 1.00 14.01 C ATOM 1965 CD GLN E 240 40.892 12.153 73.536 1.00 20.93 C ATOM 1966 OE1 GLN E 240 41.505 12.721 72.627 1.00 21.85 O ATOM 1967 NE2 GLN E 240 39.911 12.836 74.090 1.00 16.96 N ATOM 1968 H GLN E 240 39.599 8.406 74.507 1.00 0.00 H ATOM 1969 HE21 GLN E 240 39.792 13.742 73.737 1.00 0.00 H ATOM 1970 HE22 GLN E 240 39.399 12.429 74.811 1.00 0.00 H ATOM 1971 N THR E 241 39.911 8.455 77.710 1.00 7.17 N ATOM 1972 CA THR E 241 39.698 8.309 79.131 1.00 7.62 C ATOM 1973 C THR E 241 40.301 6.996 79.574 1.00 6.87 C ATOM 1974 O THR E 241 41.127 6.980 80.492 1.00 4.42 O ATOM 1975 CB THR E 241 38.210 8.370 79.395 1.00 4.51 C ATOM 1976 OG1 THR E 241 37.823 9.664 78.924 1.00 2.00 O ATOM 1977 CG2 THR E 241 37.826 8.185 80.847 1.00 6.45 C ATOM 1978 H THR E 241 39.122 8.430 77.123 1.00 0.00 H ATOM 1979 HG1 THR E 241 36.860 9.682 78.964 1.00 0.00 H ATOM 1980 N ILE E 242 39.955 5.916 78.878 1.00 6.71 N ATOM 1981 CA ILE E 242 40.467 4.584 79.198 1.00 3.91 C ATOM 1982 C ILE E 242 41.995 4.614 79.179 1.00 6.95 C ATOM 1983 O ILE E 242 42.606 4.040 80.083 1.00 6.99 O ATOM 1984 CB ILE E 242 39.887 3.563 78.152 1.00 6.33 C ATOM 1985 CG1 ILE E 242 38.453 3.237 78.538 1.00 2.45 C ATOM 1986 CG2 ILE E 242 40.723 2.303 78.075 1.00 6.85 C ATOM 1987 CD1 ILE E 242 37.872 2.194 77.613 1.00 4.76 C ATOM 1988 H ILE E 242 39.343 5.998 78.114 1.00 0.00 H ATOM 1989 N ALA E 243 42.564 5.330 78.201 1.00 6.37 N ATOM 1990 CA ALA E 243 44.016 5.470 78.064 1.00 11.35 C ATOM 1991 C ALA E 243 44.722 6.131 79.260 1.00 14.35 C ATOM 1992 O ALA E 243 45.914 5.885 79.515 1.00 14.16 O ATOM 1993 CB ALA E 243 44.335 6.277 76.807 1.00 11.36 C ATOM 1994 H ALA E 243 42.002 5.790 77.538 1.00 0.00 H ATOM 1995 N SER E 244 43.953 7.021 79.891 1.00 13.40 N ATOM 1996 CA SER E 244 44.405 7.785 81.033 1.00 13.26 C ATOM 1997 C SER E 244 44.231 7.125 82.391 1.00 13.75 C ATOM 1998 O SER E 244 44.897 7.621 83.302 1.00 20.97 O ATOM 1999 CB SER E 244 43.677 9.108 81.049 1.00 16.74 C ATOM 2000 OG SER E 244 44.093 9.870 79.923 1.00 24.37 O ATOM 2001 H SER E 244 43.045 7.184 79.564 1.00 0.00 H ATOM 2002 HG SER E 244 45.031 10.085 80.003 1.00 0.00 H ATOM 2003 N ASN E 245 43.372 6.107 82.534 1.00 10.46 N ATOM 2004 CA ASN E 245 43.056 5.464 83.801 1.00 10.11 C ATOM 2005 C ASN E 245 43.422 3.958 83.891 1.00 17.06 C ATOM 2006 O ASN E 245 42.863 3.200 84.741 1.00 18.79 O ATOM 2007 CB ASN E 245 41.590 5.657 84.019 1.00 12.20 C ATOM 2008 CG ASN E 245 41.201 7.082 84.326 1.00 11.02 C ATOM 2009 OD1 ASN E 245 41.173 7.472 85.494 1.00 11.86 O ATOM 2010 ND2 ASN E 245 40.842 7.863 83.318 1.00 9.65 N ATOM 2011 OXT ASN E 245 44.313 3.520 83.123 1.00 18.62 O ATOM 2012 H ASN E 245 43.002 5.681 81.735 1.00 0.00 H ATOM 2013 HD21 ASN E 245 40.589 8.779 83.549 1.00 0.00 H ATOM 2014 HD22 ASN E 245 40.846 7.497 82.413 1.00 0.00 H TER 2015 ASN E 245 ATOM 2016 N CYS I 9 11.052 9.391 81.767 1.00 10.23 N ATOM 2017 CA CYS I 9 11.788 8.733 82.845 1.00 12.73 C ATOM 2018 C CYS I 9 12.935 8.022 82.173 1.00 13.55 C ATOM 2019 O CYS I 9 12.784 7.542 81.023 1.00 9.02 O ATOM 2020 CB CYS I 9 10.878 7.727 83.524 1.00 16.36 C ATOM 2021 SG CYS I 9 9.441 8.620 84.167 1.00 22.21 S ATOM 2022 N THR I 10 13.999 7.977 82.983 1.00 8.49 N ATOM 2023 CA THR I 10 15.149 7.159 82.647 1.00 8.97 C ATOM 2024 C THR I 10 14.665 5.710 82.825 1.00 9.59 C ATOM 2025 O THR I 10 13.651 5.474 83.502 1.00 11.74 O ATOM 2026 CB THR I 10 16.311 7.525 83.621 1.00 7.84 C ATOM 2027 OG1 THR I 10 15.965 7.224 84.982 1.00 3.25 O ATOM 2028 CG2 THR I 10 16.666 8.985 83.378 1.00 6.35 C ATOM 2029 H THR I 10 14.007 8.398 83.878 1.00 0.00 H ATOM 2030 HG1 THR I 10 16.575 7.537 85.688 1.00 0.00 H ATOM 2031 N LYS I 11 15.344 4.723 82.271 1.00 8.49 N ATOM 2032 CA LYS I 11 14.911 3.334 82.400 1.00 10.17 C ATOM 2033 C LYS I 11 15.732 2.558 83.457 1.00 10.67 C ATOM 2034 O LYS I 11 16.120 1.405 83.278 1.00 9.39 O ATOM 2035 CB LYS I 11 14.983 2.751 80.948 1.00 9.77 C ATOM 2036 CG LYS I 11 13.910 3.466 80.116 1.00 4.89 C ATOM 2037 CD LYS I 11 13.892 3.016 78.700 1.00 5.30 C ATOM 2038 CE LYS I 11 12.660 3.518 78.012 1.00 3.07 C ATOM 2039 NZ LYS I 11 12.486 3.009 76.615 1.00 2.55 N ATOM 2040 H LYS I 11 16.064 4.917 81.629 1.00 0.00 H ATOM 2041 HZ1 LYS I 11 12.466 1.968 76.560 1.00 0.00 H ATOM 2042 HZ2 LYS I 11 11.537 3.258 76.240 1.00 0.00 H ATOM 2043 HZ3 LYS I 11 13.157 3.335 75.918 1.00 0.00 H ATOM 2044 N SER I 12 16.074 3.238 84.554 1.00 7.81 N ATOM 2045 CA SER I 12 16.841 2.653 85.674 1.00 6.75 C ATOM 2046 C SER I 12 15.785 2.166 86.639 1.00 5.39 C ATOM 2047 O SER I 12 14.608 2.532 86.454 1.00 8.41 O ATOM 2048 CB SER I 12 17.670 3.735 86.337 1.00 4.50 C ATOM 2049 OG SER I 12 16.853 4.908 86.427 1.00 2.00 O ATOM 2050 H SER I 12 15.645 4.096 84.731 1.00 0.00 H ATOM 2051 HG SER I 12 16.628 5.323 85.597 1.00 0.00 H ATOM 2052 N ILE I 13 16.189 1.281 87.538 1.00 6.20 N ATOM 2053 CA ILE I 13 15.349 0.831 88.640 1.00 9.27 C ATOM 2054 C ILE I 13 15.961 1.546 89.857 1.00 12.49 C ATOM 2055 O ILE I 13 17.081 1.168 90.237 1.00 11.52 O ATOM 2056 CB ILE I 13 15.442 -0.695 88.891 1.00 10.52 C ATOM 2057 CG1 ILE I 13 14.708 -1.493 87.819 1.00 8.11 C ATOM 2058 CG2 ILE I 13 14.832 -0.994 90.283 1.00 10.72 C ATOM 2059 CD1 ILE I 13 14.952 -2.980 88.081 1.00 9.59 C ATOM 2060 H ILE I 13 17.085 0.875 87.475 1.00 0.00 H ATOM 2061 N PRO I 14 15.329 2.515 90.547 1.00 13.31 N ATOM 2062 CA PRO I 14 14.024 3.111 90.186 1.00 14.56 C ATOM 2063 C PRO I 14 14.225 4.154 89.068 1.00 15.88 C ATOM 2064 O PRO I 14 15.347 4.632 88.885 1.00 16.65 O ATOM 2065 CB PRO I 14 13.529 3.695 91.510 1.00 12.80 C ATOM 2066 CG PRO I 14 14.814 4.254 92.040 1.00 11.11 C ATOM 2067 CD PRO I 14 15.813 3.124 91.806 1.00 12.27 C ATOM 2068 N PRO I 15 13.206 4.537 88.307 1.00 14.97 N ATOM 2069 CA PRO I 15 13.333 5.592 87.300 1.00 16.34 C ATOM 2070 C PRO I 15 13.467 6.957 87.921 1.00 18.48 C ATOM 2071 O PRO I 15 12.955 7.264 89.007 1.00 22.65 O ATOM 2072 CB PRO I 15 12.102 5.475 86.451 1.00 14.70 C ATOM 2073 CG PRO I 15 11.129 4.996 87.485 1.00 18.30 C ATOM 2074 CD PRO I 15 11.888 3.896 88.203 1.00 17.26 C ATOM 2075 N GLU I 16 14.108 7.774 87.123 1.00 18.02 N ATOM 2076 CA GLU I 16 14.308 9.158 87.472 1.00 20.02 C ATOM 2077 C GLU I 16 13.463 9.908 86.461 1.00 20.22 C ATOM 2078 O GLU I 16 13.699 9.811 85.246 1.00 17.79 O ATOM 2079 CB GLU I 16 15.776 9.515 87.342 1.00 15.81 C ATOM 2080 CG GLU I 16 16.674 8.819 88.365 1.00 15.58 C ATOM 2081 CD GLU I 16 18.121 8.732 87.887 1.00 15.53 C ATOM 2082 OE1 GLU I 16 18.702 9.737 87.405 1.00 16.13 O ATOM 2083 OE2 GLU I 16 18.669 7.616 87.922 1.00 19.42 O ATOM 2084 H GLU I 16 14.474 7.439 86.285 1.00 0.00 H ATOM 2085 N CYS I 17 12.362 10.440 86.924 1.00 24.07 N ATOM 2086 CA CYS I 17 11.475 11.266 86.067 1.00 25.26 C ATOM 2087 C CYS I 17 11.629 12.758 86.451 1.00 28.55 C ATOM 2088 O CYS I 17 11.362 13.877 86.936 1.00 38.57 O ATOM 2089 CB CYS I 17 10.014 10.762 86.171 1.00 21.54 C ATOM 2090 SG CYS I 17 9.939 8.959 86.109 1.00 18.93 S ATOM 2091 H CYS I 17 12.154 10.471 87.891 1.00 0.00 H TER 2092 CYS I 17 HETATM 2093 CA CA E 0 22.876 -16.268 87.489 1.00 9.94 CA HETATM 2094 O HOH E 246 45.195 11.199 71.242 1.00 8.55 O HETATM 2095 H1 HOH E 246 45.988 10.758 70.935 1.00 0.00 H HETATM 2096 H2 HOH E 246 45.067 10.887 72.140 1.00 0.00 H HETATM 2097 O HOH E 247 9.592 1.716 70.498 1.00 13.86 O HETATM 2098 H1 HOH E 247 9.182 2.311 71.158 1.00 0.00 H HETATM 2099 H2 HOH E 247 10.524 1.757 70.701 1.00 0.00 H HETATM 2100 O HOH E 248 15.227 4.076 75.845 1.00 4.29 O HETATM 2101 H1 HOH E 248 15.220 5.046 75.777 1.00 0.00 H HETATM 2102 H2 HOH E 248 14.372 3.839 76.123 1.00 0.00 H HETATM 2103 O HOH E 249 16.650 9.055 65.866 1.00 11.04 O HETATM 2104 H1 HOH E 249 16.172 9.827 65.558 1.00 0.00 H HETATM 2105 H2 HOH E 249 16.746 8.523 65.065 1.00 0.00 H HETATM 2106 O HOH E 250 22.768 -11.291 89.930 1.00 19.38 O HETATM 2107 H1 HOH E 250 22.453 -12.204 89.756 1.00 0.00 H HETATM 2108 H2 HOH E 250 23.589 -11.296 89.421 1.00 0.00 H HETATM 2109 O HOH E 251 22.995 -14.777 89.333 1.00 13.92 O HETATM 2110 H1 HOH E 251 23.766 -14.241 89.485 1.00 0.00 H HETATM 2111 H2 HOH E 251 23.072 -14.841 88.354 1.00 0.00 H HETATM 2112 O HOH E 252 28.043 17.345 84.990 1.00 19.18 O HETATM 2113 H1 HOH E 252 27.474 17.256 84.216 1.00 0.00 H HETATM 2114 H2 HOH E 252 27.544 17.913 85.571 1.00 0.00 H HETATM 2115 O HOH E 253 23.869 -13.379 77.265 1.00 12.83 O HETATM 2116 H1 HOH E 253 23.567 -13.205 78.176 1.00 0.00 H HETATM 2117 H2 HOH E 253 23.505 -14.263 77.182 1.00 0.00 H HETATM 2118 O HOH E 254 13.164 1.186 71.689 1.00 11.74 O HETATM 2119 H1 HOH E 254 12.751 2.049 71.770 1.00 0.00 H HETATM 2120 H2 HOH E 254 13.734 1.306 70.936 1.00 0.00 H HETATM 2121 O HOH E 255 12.676 -8.753 68.183 1.00 10.89 O HETATM 2122 H1 HOH E 255 12.541 -8.094 67.489 1.00 0.00 H HETATM 2123 H2 HOH E 255 12.232 -9.548 67.885 1.00 0.00 H HETATM 2124 O HOH E 256 22.046 -8.473 89.187 1.00 14.05 O HETATM 2125 H1 HOH E 256 21.610 -7.626 89.264 1.00 0.00 H HETATM 2126 H2 HOH E 256 21.643 -9.064 89.841 1.00 0.00 H HETATM 2127 O HOH E 257 17.659 -15.372 77.870 1.00 20.98 O HETATM 2128 H1 HOH E 257 17.640 -14.633 78.480 1.00 0.00 H HETATM 2129 H2 HOH E 257 16.835 -15.320 77.422 1.00 0.00 H HETATM 2130 O HOH E 258 22.972 -12.678 95.229 1.00 11.27 O HETATM 2131 H1 HOH E 258 23.492 -12.542 96.026 1.00 0.00 H HETATM 2132 H2 HOH E 258 22.313 -13.322 95.524 1.00 0.00 H HETATM 2133 O HOH E 259 7.670 10.691 65.228 1.00 18.42 O HETATM 2134 H1 HOH E 259 8.620 10.760 65.222 1.00 0.00 H HETATM 2135 H2 HOH E 259 7.457 10.840 66.146 1.00 0.00 H HETATM 2136 O HOH E 260 10.291 5.491 80.537 1.00 9.07 O HETATM 2137 H1 HOH E 260 10.961 5.696 81.185 1.00 0.00 H HETATM 2138 H2 HOH E 260 9.866 4.686 80.872 1.00 0.00 H HETATM 2139 O HOH E 261 14.850 -8.099 86.418 1.00 15.64 O HETATM 2140 H1 HOH E 261 14.446 -8.958 86.569 1.00 0.00 H HETATM 2141 H2 HOH E 261 14.606 -7.871 85.522 1.00 0.00 H HETATM 2142 O HOH E 262 25.910 -10.617 82.769 1.00 7.03 O HETATM 2143 H1 HOH E 262 26.355 -9.767 82.721 1.00 0.00 H HETATM 2144 H2 HOH E 262 25.815 -10.735 83.721 1.00 0.00 H HETATM 2145 O HOH E 263 32.528 -16.594 82.763 1.00 13.45 O HETATM 2146 H1 HOH E 263 31.870 -16.647 83.467 1.00 0.00 H HETATM 2147 H2 HOH E 263 33.369 -16.756 83.187 1.00 0.00 H HETATM 2148 O HOH E 264 34.281 11.739 71.545 1.00 14.54 O HETATM 2149 H1 HOH E 264 33.517 12.090 71.050 1.00 0.00 H HETATM 2150 H2 HOH E 264 34.968 12.375 71.337 1.00 0.00 H HETATM 2151 O HOH E 265 22.351 -6.249 72.482 1.00 9.61 O HETATM 2152 H1 HOH E 265 21.680 -5.676 72.093 1.00 0.00 H HETATM 2153 H2 HOH E 265 22.715 -6.673 71.700 1.00 0.00 H HETATM 2154 O HOH E 266 22.215 -14.758 79.088 1.00 14.30 O HETATM 2155 H1 HOH E 266 21.307 -15.065 79.266 1.00 0.00 H HETATM 2156 H2 HOH E 266 22.448 -14.386 79.959 1.00 0.00 H HETATM 2157 O HOH E 267 10.232 -8.985 76.591 1.00 20.90 O HETATM 2158 H1 HOH E 267 10.224 -8.031 76.604 1.00 0.00 H HETATM 2159 H2 HOH E 267 9.907 -9.204 77.463 1.00 0.00 H HETATM 2160 O HOH E 268 40.921 -6.647 76.821 1.00 23.26 O HETATM 2161 H1 HOH E 268 40.490 -7.420 77.175 1.00 0.00 H HETATM 2162 H2 HOH E 268 40.905 -6.827 75.853 1.00 0.00 H HETATM 2163 O HOH E 269 13.695 -7.314 79.842 1.00 7.46 O HETATM 2164 H1 HOH E 269 14.609 -7.492 80.082 1.00 0.00 H HETATM 2165 H2 HOH E 269 13.627 -7.873 79.066 1.00 0.00 H HETATM 2166 O HOH E 270 24.353 6.099 65.154 1.00 9.45 O HETATM 2167 H1 HOH E 270 24.236 5.146 65.054 1.00 0.00 H HETATM 2168 H2 HOH E 270 24.573 6.226 66.067 1.00 0.00 H HETATM 2169 O HOH E 271 22.215 1.011 96.321 1.00 20.89 O HETATM 2170 H1 HOH E 271 23.106 1.224 96.689 1.00 0.00 H HETATM 2171 H2 HOH E 271 21.675 1.133 97.101 1.00 0.00 H HETATM 2172 O HOH E 272 26.405 5.603 67.591 1.00 11.73 O HETATM 2173 H1 HOH E 272 26.971 6.228 67.154 1.00 0.00 H HETATM 2174 H2 HOH E 272 25.559 5.691 67.168 1.00 0.00 H HETATM 2175 O HOH E 273 28.675 -11.076 80.111 1.00 9.77 O HETATM 2176 H1 HOH E 273 27.994 -10.578 80.576 1.00 0.00 H HETATM 2177 H2 HOH E 273 28.635 -10.672 79.234 1.00 0.00 H HETATM 2178 O HOH E 274 25.208 -17.402 79.672 1.00 28.47 O HETATM 2179 H1 HOH E 274 25.402 -18.221 79.236 1.00 0.00 H HETATM 2180 H2 HOH E 274 24.250 -17.413 79.721 1.00 0.00 H HETATM 2181 O HOH E 275 17.666 10.680 60.041 1.00 6.82 O HETATM 2182 H1 HOH E 275 17.375 10.475 59.137 1.00 0.00 H HETATM 2183 H2 HOH E 275 18.514 10.238 60.163 1.00 0.00 H HETATM 2184 O HOH E 276 20.129 -3.428 79.607 1.00 9.81 O HETATM 2185 H1 HOH E 276 20.016 -2.778 78.913 1.00 0.00 H HETATM 2186 H2 HOH E 276 20.355 -4.233 79.146 1.00 0.00 H HETATM 2187 O HOH E 277 22.692 -16.880 85.186 1.00 7.56 O HETATM 2188 H1 HOH E 277 21.955 -16.984 85.798 1.00 0.00 H HETATM 2189 H2 HOH E 277 22.796 -17.761 84.824 1.00 0.00 H HETATM 2190 O HOH E 278 24.835 -9.291 69.322 1.00 30.01 O HETATM 2191 H1 HOH E 278 24.794 -9.549 68.406 1.00 0.00 H HETATM 2192 H2 HOH E 278 24.680 -10.109 69.800 1.00 0.00 H HETATM 2193 O HOH E 279 21.710 -20.087 93.011 1.00 16.42 O HETATM 2194 H1 HOH E 279 21.834 -20.682 93.768 1.00 0.00 H HETATM 2195 H2 HOH E 279 20.977 -19.560 93.329 1.00 0.00 H HETATM 2196 O HOH E 280 19.143 -4.631 82.102 1.00 13.87 O HETATM 2197 H1 HOH E 280 18.338 -4.499 82.600 1.00 0.00 H HETATM 2198 H2 HOH E 280 19.183 -5.481 81.693 1.00 0.00 H HETATM 2199 O HOH E 281 31.582 -21.975 85.433 1.00 14.03 O HETATM 2200 H1 HOH E 281 31.804 -21.128 85.826 1.00 0.00 H HETATM 2201 H2 HOH E 281 30.628 -21.929 85.333 1.00 0.00 H HETATM 2202 O HOH E 282 33.146 -20.728 81.116 1.00 25.12 O HETATM 2203 H1 HOH E 282 32.332 -20.908 81.622 1.00 0.00 H HETATM 2204 H2 HOH E 282 33.750 -21.326 81.557 1.00 0.00 H HETATM 2205 O HOH E 283 20.315 -3.852 59.757 1.00 25.92 O HETATM 2206 H1 HOH E 283 19.793 -4.200 59.032 1.00 0.00 H HETATM 2207 H2 HOH E 283 21.110 -3.493 59.358 1.00 0.00 H HETATM 2208 O HOH E 284 36.462 -1.577 94.175 1.00 17.39 O HETATM 2209 H1 HOH E 284 36.675 -0.632 94.048 1.00 0.00 H HETATM 2210 H2 HOH E 284 35.714 -1.627 93.558 1.00 0.00 H HETATM 2211 O HOH E 285 25.214 -12.032 79.691 1.00 13.31 O HETATM 2212 H1 HOH E 285 25.891 -11.422 79.979 1.00 0.00 H HETATM 2213 H2 HOH E 285 25.310 -12.101 78.738 1.00 0.00 H HETATM 2214 O HOH E 286 15.507 -5.423 90.638 1.00 19.84 O HETATM 2215 H1 HOH E 286 14.804 -5.148 91.235 1.00 0.00 H HETATM 2216 H2 HOH E 286 16.057 -4.645 90.540 1.00 0.00 H HETATM 2217 O HOH E 287 39.407 -11.780 88.470 1.00 24.39 O HETATM 2218 H1 HOH E 287 40.341 -11.794 88.679 1.00 0.00 H HETATM 2219 H2 HOH E 287 39.245 -12.630 88.067 1.00 0.00 H HETATM 2220 O HOH E 288 38.262 1.179 94.804 1.00 35.85 O HETATM 2221 H1 HOH E 288 38.557 0.942 95.678 1.00 0.00 H HETATM 2222 H2 HOH E 288 38.617 2.067 94.671 1.00 0.00 H HETATM 2223 O HOH E 289 32.305 13.747 74.521 1.00 11.32 O HETATM 2224 H1 HOH E 289 32.910 13.216 73.984 1.00 0.00 H HETATM 2225 H2 HOH E 289 31.611 13.921 73.862 1.00 0.00 H HETATM 2226 O HOH E 290 36.006 -7.422 92.758 1.00 22.65 O HETATM 2227 H1 HOH E 290 36.306 -8.010 92.047 1.00 0.00 H HETATM 2228 H2 HOH E 290 35.791 -6.610 92.308 1.00 0.00 H HETATM 2229 O HOH E 291 39.384 11.931 78.859 1.00 16.09 O HETATM 2230 H1 HOH E 291 38.804 11.220 78.550 1.00 0.00 H HETATM 2231 H2 HOH E 291 39.237 11.909 79.805 1.00 0.00 H HETATM 2232 O HOH E 292 36.036 -10.951 73.404 1.00 26.00 O HETATM 2233 H1 HOH E 292 36.713 -11.234 74.014 1.00 0.00 H HETATM 2234 H2 HOH E 292 35.594 -11.789 73.214 1.00 0.00 H HETATM 2235 O HOH E 293 22.662 8.332 64.776 1.00 31.80 O HETATM 2236 H1 HOH E 293 22.505 7.716 64.042 1.00 0.00 H HETATM 2237 H2 HOH E 293 22.990 7.719 65.440 1.00 0.00 H HETATM 2238 O HOH E 294 35.782 -13.475 74.690 1.00 23.23 O HETATM 2239 H1 HOH E 294 35.377 -12.819 75.253 1.00 0.00 H HETATM 2240 H2 HOH E 294 35.125 -14.181 74.707 1.00 0.00 H HETATM 2241 O HOH E 295 24.699 10.369 87.921 1.00 20.26 O HETATM 2242 H1 HOH E 295 25.049 10.761 88.717 1.00 0.00 H HETATM 2243 H2 HOH E 295 23.755 10.579 87.971 1.00 0.00 H HETATM 2244 O HOH E 296 18.951 2.154 91.610 1.00 22.47 O HETATM 2245 H1 HOH E 296 18.384 1.461 91.992 1.00 0.00 H HETATM 2246 H2 HOH E 296 18.444 2.290 90.788 1.00 0.00 H HETATM 2247 O HOH E 297 15.193 -7.729 89.152 1.00 26.62 O HETATM 2248 H1 HOH E 297 15.702 -7.822 89.945 1.00 0.00 H HETATM 2249 H2 HOH E 297 15.139 -6.760 89.096 1.00 0.00 H HETATM 2250 O HOH E 298 31.435 -6.690 64.003 1.00 31.34 O HETATM 2251 H1 HOH E 298 31.285 -6.450 64.921 1.00 0.00 H HETATM 2252 H2 HOH E 298 30.634 -6.399 63.552 1.00 0.00 H HETATM 2253 O HOH E 299 4.807 3.295 79.794 1.00 19.00 O HETATM 2254 H1 HOH E 299 4.395 2.691 80.427 1.00 0.00 H HETATM 2255 H2 HOH E 299 4.742 2.812 78.976 1.00 0.00 H HETATM 2256 O HOH E 300 11.918 -14.837 83.424 1.00 29.11 O HETATM 2257 H1 HOH E 300 12.480 -15.090 84.171 1.00 0.00 H HETATM 2258 H2 HOH E 300 11.087 -15.219 83.737 1.00 0.00 H HETATM 2259 O HOH E 301 33.809 -15.039 71.929 1.00 36.18 O HETATM 2260 H1 HOH E 301 33.645 -15.774 72.523 1.00 0.00 H HETATM 2261 H2 HOH E 301 33.187 -15.154 71.212 1.00 0.00 H HETATM 2262 O HOH E 302 2.540 -2.561 63.893 1.00 36.11 O HETATM 2263 H1 HOH E 302 3.403 -2.401 64.341 1.00 0.00 H HETATM 2264 H2 HOH E 302 2.314 -3.439 64.187 1.00 0.00 H HETATM 2265 O HOH E 303 14.689 -10.236 92.202 1.00 37.53 O HETATM 2266 H1 HOH E 303 14.074 -10.929 91.931 1.00 0.00 H HETATM 2267 H2 HOH E 303 14.283 -9.423 91.873 1.00 0.00 H HETATM 2268 O HOH E 304 17.766 -8.204 91.265 1.00 13.18 O HETATM 2269 H1 HOH E 304 18.513 -8.522 91.768 1.00 0.00 H HETATM 2270 H2 HOH E 304 17.115 -8.902 91.441 1.00 0.00 H HETATM 2271 O HOH E 305 44.882 -1.440 86.892 1.00 42.72 O HETATM 2272 H1 HOH E 305 45.731 -1.641 87.313 1.00 0.00 H HETATM 2273 H2 HOH E 305 45.009 -0.568 86.556 1.00 0.00 H HETATM 2274 O HOH E 306 44.421 10.043 76.383 1.00 29.73 O HETATM 2275 H1 HOH E 306 43.822 9.539 76.951 1.00 0.00 H HETATM 2276 H2 HOH E 306 44.306 9.689 75.504 1.00 0.00 H HETATM 2277 O HOH E 307 29.550 14.417 72.100 1.00 28.50 O HETATM 2278 H1 HOH E 307 29.730 13.650 71.550 1.00 0.00 H HETATM 2279 H2 HOH E 307 28.605 14.551 71.935 1.00 0.00 H HETATM 2280 O HOH E 308 18.828 4.940 55.403 1.00 19.61 O HETATM 2281 H1 HOH E 308 19.731 4.837 55.705 1.00 0.00 H HETATM 2282 H2 HOH E 308 18.351 4.330 55.965 1.00 0.00 H HETATM 2283 O HOH E 309 25.694 -18.213 84.166 1.00 10.93 O HETATM 2284 H1 HOH E 309 26.083 -18.225 83.292 1.00 0.00 H HETATM 2285 H2 HOH E 309 25.520 -19.095 84.478 1.00 0.00 H HETATM 2286 O HOH E 310 15.135 12.354 59.283 1.00 17.98 O HETATM 2287 H1 HOH E 310 15.511 12.102 58.420 1.00 0.00 H HETATM 2288 H2 HOH E 310 15.543 11.761 59.897 1.00 0.00 H HETATM 2289 O HOH E 311 20.312 13.279 66.841 1.00 34.07 O HETATM 2290 H1 HOH E 311 19.985 12.401 66.589 1.00 0.00 H HETATM 2291 H2 HOH E 311 19.973 13.768 66.089 1.00 0.00 H HETATM 2292 O HOH E 312 38.996 -7.283 75.113 1.00 25.75 O HETATM 2293 H1 HOH E 312 38.036 -7.214 74.985 1.00 0.00 H HETATM 2294 H2 HOH E 312 39.165 -6.874 75.953 1.00 0.00 H HETATM 2295 O HOH E 313 24.193 1.550 59.645 1.00 27.47 O HETATM 2296 H1 HOH E 313 24.922 0.987 59.372 1.00 0.00 H HETATM 2297 H2 HOH E 313 23.445 0.943 59.652 1.00 0.00 H HETATM 2298 O HOH E 314 14.879 17.652 87.668 1.00 37.71 O HETATM 2299 H1 HOH E 314 14.725 16.978 86.997 1.00 0.00 H HETATM 2300 H2 HOH E 314 15.735 18.027 87.425 1.00 0.00 H HETATM 2301 O HOH E 315 9.637 -5.752 54.655 1.00 35.80 O HETATM 2302 H1 HOH E 315 9.346 -4.874 54.440 1.00 0.00 H HETATM 2303 H2 HOH E 315 9.341 -6.298 53.915 1.00 0.00 H HETATM 2304 O HOH E 316 7.118 4.664 75.548 1.00 24.20 O HETATM 2305 H1 HOH E 316 7.286 5.484 76.027 1.00 0.00 H HETATM 2306 H2 HOH E 316 7.793 4.077 75.898 1.00 0.00 H HETATM 2307 O HOH E 317 17.146 -18.502 78.812 1.00 28.67 O HETATM 2308 H1 HOH E 317 17.045 -19.153 79.506 1.00 0.00 H HETATM 2309 H2 HOH E 317 16.280 -18.295 78.501 1.00 0.00 H HETATM 2310 O HOH E 318 21.473 11.248 87.440 1.00 31.66 O HETATM 2311 H1 HOH E 318 20.626 10.753 87.395 1.00 0.00 H HETATM 2312 H2 HOH E 318 21.622 11.446 86.513 1.00 0.00 H HETATM 2313 O HOH E 319 32.076 -18.884 86.921 1.00 26.13 O HETATM 2314 H1 HOH E 319 31.223 -19.303 86.780 1.00 0.00 H HETATM 2315 H2 HOH E 319 31.830 -17.989 87.188 1.00 0.00 H HETATM 2316 O HOH E 320 35.165 -9.147 71.356 1.00 37.62 O HETATM 2317 H1 HOH E 320 35.867 -9.634 70.920 1.00 0.00 H HETATM 2318 H2 HOH E 320 34.670 -8.729 70.651 1.00 0.00 H HETATM 2319 O HOH E 321 7.482 -4.983 61.797 1.00 27.50 O HETATM 2320 H1 HOH E 321 7.145 -4.143 62.153 1.00 0.00 H HETATM 2321 H2 HOH E 321 7.030 -5.103 60.970 1.00 0.00 H HETATM 2322 O HOH E 322 7.340 2.910 71.620 1.00 20.11 O HETATM 2323 H1 HOH E 322 6.553 3.437 71.798 1.00 0.00 H HETATM 2324 H2 HOH E 322 7.399 2.874 70.663 1.00 0.00 H HETATM 2325 O HOH E 323 26.018 -0.293 77.142 1.00 20.90 O HETATM 2326 H1 HOH E 323 26.038 -1.244 77.253 1.00 0.00 H HETATM 2327 H2 HOH E 323 26.664 -0.169 76.452 1.00 0.00 H HETATM 2328 O HOH E 324 24.717 2.190 97.028 1.00 31.12 O HETATM 2329 H1 HOH E 324 25.022 2.055 97.950 1.00 0.00 H HETATM 2330 H2 HOH E 324 25.488 1.843 96.554 1.00 0.00 H HETATM 2331 O HOH E 325 23.788 -1.901 58.232 1.00 29.88 O HETATM 2332 H1 HOH E 325 24.188 -2.772 58.285 1.00 0.00 H HETATM 2333 H2 HOH E 325 23.714 -1.730 57.292 1.00 0.00 H HETATM 2334 O HOH E 326 37.029 -13.321 86.839 1.00 30.38 O HETATM 2335 H1 HOH E 326 36.415 -14.034 86.649 1.00 0.00 H HETATM 2336 H2 HOH E 326 37.471 -13.586 87.643 1.00 0.00 H HETATM 2337 O HOH I 23 10.630 4.642 76.077 1.00 4.60 O HETATM 2338 H1 HOH I 23 10.992 5.436 75.686 1.00 0.00 H HETATM 2339 H2 HOH I 23 10.083 4.954 76.813 1.00 0.00 H HETATM 2340 O HOH I 24 10.654 11.526 82.481 1.00 24.50 O HETATM 2341 H1 HOH I 24 10.225 12.249 82.014 1.00 0.00 H HETATM 2342 H2 HOH I 24 11.596 11.723 82.455 1.00 0.00 H CONECT 58 1246 CONECT 225 364 CONECT 364 225 CONECT 473 2093 CONECT 488 2093 CONECT 519 2093 CONECT 566 2093 CONECT 1003 1878 CONECT 1056 1634 CONECT 1246 58 CONECT 1339 1469 CONECT 1469 1339 CONECT 1560 1752 CONECT 1634 1056 CONECT 1752 1560 CONECT 1878 1003 CONECT 2021 2090 CONECT 2090 2021 CONECT 2093 473 488 519 566 CONECT 2093 2109 2187 CONECT 2109 2093 CONECT 2187 2093 MASTER 336 0 1 2 14 0 7 6 1778 2 22 20 END
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Ligand Name
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PDBbind
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Entry Information
PDB ID
1smf
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
trypsin
Ligand Name
22-mer
EC.Number
E.C.3.4.21.4
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=0.12uM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biochem.(Tokyo) v116 pp. 18-25, 1994
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):
P01062
P00760
Entrez Gene ID
NCBI Entrez Gene ID:
615026
780933
ASD
Information of known allosteric effects of PDB entries
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