Browse entries in the PDBbind-CN Database
HEADER IMMUNOGLOBULIN/HYDROLASE(O-GLYCOSYL) 03-DEC-93 1VFB TITLE BOUND WATER MOLECULES AND CONFORMATIONAL STABILIZATION HELP TITLE 2 MEDIATE AN ANTIGEN-ANTIBODY ASSOCIATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: IGG1-KAPPA D1.3 FV (LIGHT CHAIN); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: IGG1-KAPPA D1.3 FV (HEAVY CHAIN); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: HEN EGG WHITE LYSOZYME; COMPND 11 CHAIN: C; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 ORGAN: EGG; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 10 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 11 ORGANISM_TAXID: 10090; SOURCE 12 ORGAN: EGG; SOURCE 13 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 17 ORGANISM_COMMON: CHICKEN; SOURCE 18 ORGANISM_TAXID: 9031 KEYWDS IMMUNOGLOBULIN/HYDROLASE(O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR T.N.BHAT,R.J.POLJAK REVDAT 3 24-FEB-09 1VFB 1 VERSN REVDAT 2 01-APR-03 1VFB 1 JRNL REVDAT 1 31-MAY-94 1VFB 0 JRNL AUTH T.N.BHAT,G.A.BENTLEY,G.BOULOT,M.I.GREENE,D.TELLO, JRNL AUTH 2 W.DALL'ACQUA,H.SOUCHON,F.P.SCHWARZ,R.A.MARIUZZA, JRNL AUTH 3 R.J.POLJAK JRNL TITL BOUND WATER MOLECULES AND CONFORMATIONAL JRNL TITL 2 STABILIZATION HELP MEDIATE AN ANTIGEN-ANTIBODY JRNL TITL 3 ASSOCIATION. JRNL REF PROC.NATL.ACAD.SCI.USA V. 91 1089 1994 JRNL REFN ISSN 0027-8424 JRNL PMID 8302837 JRNL DOI 10.1073/PNAS.91.3.1089 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.N.BHAT,G.A.BENTLEY,T.O.FISCHMANN,G.BOULOT, REMARK 1 AUTH 2 R.J.POLJAK REMARK 1 TITL SMALL REARRANGEMENTS IN STRUCTURES OF FV AND FAB REMARK 1 TITL 2 FRAGMENTS OF AN ANTIBODY D1.3 ON ANTIGEN BINDING REMARK 1 REF NATURE V. 347 483 1990 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 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) : 0.185 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 : 3408 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 48 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) : 0.012 REMARK 3 BOND ANGLES (DEGREES) : 2.70 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VFB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.90 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.51 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 64.60000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.40000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 64.60000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 30.40000 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 90 NE2 HIS A 90 CD2 -0.066 REMARK 500 HIS C 15 NE2 HIS C 15 CD2 -0.067 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 TRP A 35 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP A 35 CE2 - CD2 - CG ANGL. DEV. = -5.3 DEGREES REMARK 500 TRP A 92 CD1 - CG - CD2 ANGL. DEV. = 6.3 DEGREES REMARK 500 TRP A 92 CE2 - CD2 - CG ANGL. DEV. = -6.0 DEGREES REMARK 500 TRP B 36 CD1 - CG - CD2 ANGL. DEV. = 6.4 DEGREES REMARK 500 TRP B 36 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 TRP B 47 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP B 47 CE2 - CD2 - CG ANGL. DEV. = -5.5 DEGREES REMARK 500 TRP B 47 CG - CD2 - CE3 ANGL. DEV. = 5.6 DEGREES REMARK 500 TRP B 52 CD1 - CG - CD2 ANGL. DEV. = 6.1 DEGREES REMARK 500 TRP B 52 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 ARG B 99 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 TRP B 106 CD1 - CG - CD2 ANGL. DEV. = 6.0 DEGREES REMARK 500 TRP B 106 CE2 - CD2 - CG ANGL. DEV. = -5.6 DEGREES REMARK 500 TRP C 28 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 TRP C 28 CE2 - CD2 - CG ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP C 62 CD1 - CG - CD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 TRP C 62 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES REMARK 500 TRP C 63 CD1 - CG - CD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 TRP C 63 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 ARG C 68 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG C 73 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG C 73 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES REMARK 500 TRP C 108 CD1 - CG - CD2 ANGL. DEV. = 5.4 DEGREES REMARK 500 TRP C 108 CE2 - CD2 - CG ANGL. DEV. = -5.4 DEGREES REMARK 500 TRP C 111 CD1 - CG - CD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 TRP C 111 CE2 - CD2 - CG ANGL. DEV. = -5.9 DEGREES REMARK 500 TRP C 123 CD1 - CG - CD2 ANGL. DEV. = 6.7 DEGREES REMARK 500 TRP C 123 CE2 - CD2 - CG ANGL. DEV. = -5.9 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 THR A 51 -39.97 65.50 REMARK 500 SER A 93 -150.76 48.79 REMARK 500 SER B 115 -155.17 -88.70 REMARK 500 ASP C 48 155.48 169.51 REMARK 500 ARG C 68 -19.99 -152.88 REMARK 500 REMARK 500 REMARK: NULL DBREF 1VFB A 1 107 GB 545862 AAB30177 1 108 DBREF 1VFB B 1 116 GB 896294 AAA69766 133 248 DBREF 1VFB C 1 129 UNP P00698 LYSC_CHICK 19 147 SEQADV 1VFB VAL A 3 GB 545862 GLU 3 CONFLICT SEQADV 1VFB TYR A 50 GB 545862 LYS 50 CONFLICT SEQADV 1VFB THR A 51 GB 545862 ALA 51 CONFLICT SEQADV 1VFB THR A 52 GB 545862 GLN 52 CONFLICT SEQADV 1VFB A GB 545862 PRO 95 DELETION SEQADV 1VFB ARG A 96 GB 545862 TRP 97 CONFLICT SEQADV 1VFB LEU B 112 GB 896294 VAL 244 CONFLICT SEQRES 1 A 107 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU SER ALA SEQRES 2 A 107 SER VAL GLY GLU THR VAL THR ILE THR CYS ARG ALA SER SEQRES 3 A 107 GLY ASN ILE HIS ASN TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 A 107 GLN GLY LYS SER PRO GLN LEU LEU VAL TYR TYR THR THR SEQRES 5 A 107 THR LEU ALA ASP GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 A 107 GLY SER GLY THR GLN TYR SER LEU LYS ILE ASN SER LEU SEQRES 7 A 107 GLN PRO GLU ASP PHE GLY SER TYR TYR CYS GLN HIS PHE SEQRES 8 A 107 TRP SER THR PRO ARG THR PHE GLY GLY GLY THR LYS LEU SEQRES 9 A 107 GLU ILE LYS SEQRES 1 B 116 GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ALA SEQRES 2 B 116 PRO SER GLN SER LEU SER ILE THR CYS THR VAL SER GLY SEQRES 3 B 116 PHE SER LEU THR GLY TYR GLY VAL ASN TRP VAL ARG GLN SEQRES 4 B 116 PRO PRO GLY LYS GLY LEU GLU TRP LEU GLY MET ILE TRP SEQRES 5 B 116 GLY ASP GLY ASN THR ASP TYR ASN SER ALA LEU LYS SER SEQRES 6 B 116 ARG LEU SER ILE SER LYS ASP ASN SER LYS SER GLN VAL SEQRES 7 B 116 PHE LEU LYS MET ASN SER LEU HIS THR ASP ASP THR ALA SEQRES 8 B 116 ARG TYR TYR CYS ALA ARG GLU ARG ASP TYR ARG LEU ASP SEQRES 9 B 116 TYR TRP GLY GLN GLY THR THR LEU THR VAL SER SER SEQRES 1 C 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 C 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 C 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 C 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 C 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 C 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 C 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 C 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 C 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 C 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 4 HOH *48(H2 O) HELIX 1 1 GLN A 79 PHE A 83 5 5 HELIX 2 2 LEU B 63 SER B 65 5 3 HELIX 3 3 HIS B 86 THR B 90 5 5 HELIX 4 4 GLY C 4 HIS C 15 1 12 HELIX 5 5 SER C 24 ASN C 37 1 14 HELIX 6 6 CYS C 80 SER C 85 5 6 HELIX 7 7 ILE C 88 VAL C 99 1 12 HELIX 8 8 ASN C 103 ALA C 107 5 5 HELIX 9 9 TRP C 108 CYS C 115 1 8 HELIX 10 10 ASP C 119 ILE C 124 5 6 SHEET 1 A 4 LEU A 4 SER A 7 0 SHEET 2 A 4 VAL A 19 ALA A 25 -1 N THR A 22 O SER A 7 SHEET 3 A 4 GLN A 70 ILE A 75 -1 O TYR A 71 N CYS A 23 SHEET 4 A 4 PHE A 62 SER A 67 -1 O SER A 63 N LYS A 74 SHEET 1 B 6 SER A 10 ALA A 13 0 SHEET 2 B 6 THR A 102 ILE A 106 1 O LYS A 103 N LEU A 11 SHEET 3 B 6 GLY A 84 HIS A 90 -1 O GLY A 84 N LEU A 104 SHEET 4 B 6 LEU A 33 GLN A 38 -1 N ALA A 34 O GLN A 89 SHEET 5 B 6 GLN A 45 TYR A 49 -1 O GLN A 45 N GLN A 37 SHEET 6 B 6 THR A 53 LEU A 54 -1 O THR A 53 N TYR A 49 SHEET 1 C 4 GLN B 3 SER B 7 0 SHEET 2 C 4 LEU B 18 SER B 25 -1 N THR B 21 O SER B 7 SHEET 3 C 4 GLN B 77 MET B 82 -1 O VAL B 78 N CYS B 22 SHEET 4 C 4 LEU B 67 ASP B 72 -1 O SER B 68 N LYS B 81 SHEET 1 D 5 THR B 57 TYR B 59 0 SHEET 2 D 5 GLU B 46 ILE B 51 -1 N MET B 50 O ASP B 58 SHEET 3 D 5 GLY B 33 GLN B 39 -1 N VAL B 34 O ILE B 51 SHEET 4 D 5 ALA B 91 GLU B 98 -1 O ARG B 92 N GLN B 39 SHEET 5 D 5 LEU B 103 TRP B 106 -1 N ASP B 104 O ARG B 97 SHEET 1 E 6 THR B 57 TYR B 59 0 SHEET 2 E 6 GLU B 46 ILE B 51 -1 N MET B 50 O ASP B 58 SHEET 3 E 6 GLY B 33 GLN B 39 -1 N VAL B 34 O ILE B 51 SHEET 4 E 6 ALA B 91 GLU B 98 -1 O ARG B 92 N GLN B 39 SHEET 5 E 6 THR B 110 VAL B 114 -1 O THR B 110 N TYR B 93 SHEET 6 E 6 LEU B 11 VAL B 12 1 N VAL B 12 O THR B 113 SHEET 1 F 3 THR C 43 ARG C 45 0 SHEET 2 F 3 THR C 51 TYR C 53 -1 N ASP C 52 O ASN C 44 SHEET 3 F 3 ILE C 58 ASN C 59 -1 O ILE C 58 N TYR C 53 SSBOND 1 CYS A 23 CYS A 88 1555 1555 2.00 SSBOND 2 CYS B 22 CYS B 95 1555 1555 2.02 SSBOND 3 CYS C 6 CYS C 127 1555 1555 2.41 SSBOND 4 CYS C 30 CYS C 115 1555 1555 2.04 SSBOND 5 CYS C 64 CYS C 80 1555 1555 2.45 SSBOND 6 CYS C 76 CYS C 94 1555 1555 2.03 CISPEP 1 SER A 7 PRO A 8 0 -2.16 CISPEP 2 THR A 94 PRO A 95 0 -4.58 CRYST1 129.200 60.800 56.900 90.00 119.30 90.00 C 1 2 1 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 0.007740 0.000000 0.004343 0.00000 SCALE2 0.000000 0.016447 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020153 0.00000 ATOM 1 N ASP A 1 23.963 -0.947 -1.031 1.00 37.52 N ATOM 2 CA ASP A 1 25.119 -0.797 -1.881 1.00 32.56 C ATOM 3 C ASP A 1 25.715 0.493 -1.356 1.00 29.72 C ATOM 4 O ASP A 1 24.964 1.396 -0.971 1.00 28.87 O ATOM 5 CB ASP A 1 24.721 -0.606 -3.341 1.00 34.71 C ATOM 6 CG ASP A 1 24.061 -1.777 -4.067 1.00 35.11 C ATOM 7 OD1 ASP A 1 23.841 -2.849 -3.496 1.00 35.99 O ATOM 8 OD2 ASP A 1 23.798 -1.612 -5.255 1.00 38.08 O ATOM 9 H1 ASP A 1 23.429 -0.061 -1.100 1.00 20.00 H ATOM 10 H2 ASP A 1 23.417 -1.821 -1.194 1.00 20.00 H ATOM 11 H3 ASP A 1 24.348 -0.968 -0.067 1.00 20.00 H ATOM 12 N ILE A 2 27.025 0.577 -1.277 1.00 26.56 N ATOM 13 CA ILE A 2 27.669 1.808 -0.873 1.00 25.29 C ATOM 14 C ILE A 2 27.740 2.665 -2.147 1.00 26.50 C ATOM 15 O ILE A 2 28.123 2.164 -3.216 1.00 26.25 O ATOM 16 CB ILE A 2 29.055 1.427 -0.269 1.00 23.37 C ATOM 17 CG1 ILE A 2 28.773 0.662 1.033 1.00 21.20 C ATOM 18 CG2 ILE A 2 29.938 2.651 -0.002 1.00 21.27 C ATOM 19 CD1 ILE A 2 29.941 -0.070 1.710 1.00 19.49 C ATOM 20 H ILE A 2 27.567 -0.193 -1.555 1.00 20.00 H ATOM 21 N VAL A 3 27.341 3.933 -2.058 1.00 20.87 N ATOM 22 CA VAL A 3 27.378 4.863 -3.168 1.00 18.69 C ATOM 23 C VAL A 3 28.520 5.860 -2.883 1.00 16.41 C ATOM 24 O VAL A 3 28.799 6.162 -1.711 1.00 14.99 O ATOM 25 CB VAL A 3 25.960 5.497 -3.219 1.00 18.56 C ATOM 26 CG1 VAL A 3 25.958 6.840 -3.959 1.00 21.26 C ATOM 27 CG2 VAL A 3 25.033 4.512 -3.911 1.00 17.43 C ATOM 28 H VAL A 3 27.071 4.275 -1.179 1.00 30.00 H ATOM 29 N LEU A 4 29.210 6.380 -3.898 1.00 14.55 N ATOM 30 CA LEU A 4 30.272 7.355 -3.716 1.00 14.24 C ATOM 31 C LEU A 4 29.846 8.662 -4.347 1.00 12.62 C ATOM 32 O LEU A 4 29.410 8.703 -5.500 1.00 15.43 O ATOM 33 CB LEU A 4 31.579 6.852 -4.367 1.00 15.24 C ATOM 34 CG LEU A 4 32.169 5.537 -3.756 1.00 18.25 C ATOM 35 CD1 LEU A 4 33.058 4.825 -4.763 1.00 19.25 C ATOM 36 CD2 LEU A 4 32.972 5.867 -2.513 1.00 19.25 C ATOM 37 H LEU A 4 28.985 6.126 -4.819 1.00 30.00 H ATOM 38 N THR A 5 29.953 9.725 -3.552 1.00 12.99 N ATOM 39 CA THR A 5 29.605 11.071 -3.975 1.00 15.30 C ATOM 40 C THR A 5 30.933 11.764 -4.252 1.00 14.54 C ATOM 41 O THR A 5 31.714 11.989 -3.322 1.00 14.90 O ATOM 42 CB THR A 5 28.828 11.779 -2.835 1.00 16.30 C ATOM 43 OG1 THR A 5 27.680 10.993 -2.516 1.00 16.67 O ATOM 44 CG2 THR A 5 28.408 13.164 -3.244 1.00 16.13 C ATOM 45 H THR A 5 30.316 9.610 -2.647 1.00 20.00 H ATOM 46 HG1 THR A 5 26.871 11.504 -2.649 1.00 20.00 H ATOM 47 N GLN A 6 31.225 12.091 -5.497 1.00 16.22 N ATOM 48 CA GLN A 6 32.498 12.711 -5.868 1.00 16.33 C ATOM 49 C GLN A 6 32.288 14.199 -6.157 1.00 14.81 C ATOM 50 O GLN A 6 31.236 14.557 -6.693 1.00 14.49 O ATOM 51 CB GLN A 6 33.044 11.990 -7.098 1.00 16.49 C ATOM 52 CG GLN A 6 34.397 12.505 -7.590 1.00 14.45 C ATOM 53 CD GLN A 6 35.066 11.533 -8.550 1.00 17.01 C ATOM 54 OE1 GLN A 6 34.644 10.389 -8.771 1.00 16.39 O ATOM 55 NE2 GLN A 6 36.113 11.962 -9.231 1.00 15.83 N ATOM 56 H GLN A 6 30.518 12.019 -6.191 1.00 20.00 H ATOM 57 HE21 GLN A 6 36.597 11.322 -9.794 1.00 0.00 H ATOM 58 HE22 GLN A 6 36.353 12.912 -9.119 1.00 0.00 H ATOM 59 N SER A 7 33.183 15.091 -5.742 1.00 12.75 N ATOM 60 CA SER A 7 33.011 16.468 -6.111 1.00 14.66 C ATOM 61 C SER A 7 34.401 17.073 -6.190 1.00 14.22 C ATOM 62 O SER A 7 35.353 16.548 -5.584 1.00 14.37 O ATOM 63 CB SER A 7 32.113 17.247 -5.084 1.00 15.65 C ATOM 64 OG SER A 7 32.589 17.220 -3.760 1.00 20.92 O ATOM 65 H SER A 7 34.019 14.828 -5.299 1.00 20.00 H ATOM 66 HG SER A 7 32.940 18.103 -3.555 1.00 20.00 H ATOM 67 N PRO A 8 34.608 18.160 -6.953 1.00 16.38 N ATOM 68 CA PRO A 8 33.586 18.802 -7.772 1.00 16.34 C ATOM 69 C PRO A 8 33.333 18.052 -9.077 1.00 18.22 C ATOM 70 O PRO A 8 34.063 17.103 -9.384 1.00 18.27 O ATOM 71 CB PRO A 8 34.132 20.209 -7.934 1.00 14.63 C ATOM 72 CG PRO A 8 35.617 19.947 -8.056 1.00 15.28 C ATOM 73 CD PRO A 8 35.895 18.853 -7.046 1.00 15.29 C ATOM 74 N ALA A 9 32.295 18.437 -9.822 1.00 15.80 N ATOM 75 CA ALA A 9 32.069 17.859 -11.133 1.00 17.01 C ATOM 76 C ALA A 9 33.140 18.305 -12.144 1.00 18.11 C ATOM 77 O ALA A 9 33.539 17.504 -12.988 1.00 17.83 O ATOM 78 CB ALA A 9 30.680 18.268 -11.642 1.00 17.37 C ATOM 79 H ALA A 9 31.615 19.001 -9.388 1.00 20.00 H ATOM 80 N SER A 10 33.619 19.543 -12.096 1.00 17.07 N ATOM 81 CA SER A 10 34.670 20.102 -12.958 1.00 22.59 C ATOM 82 C SER A 10 35.495 21.048 -12.106 1.00 22.44 C ATOM 83 O SER A 10 34.988 21.583 -11.105 1.00 22.20 O ATOM 84 CB SER A 10 34.137 20.950 -14.082 1.00 23.30 C ATOM 85 OG SER A 10 33.377 20.134 -14.946 1.00 34.48 O ATOM 86 H SER A 10 33.276 20.141 -11.403 1.00 20.00 H ATOM 87 HG SER A 10 32.538 19.977 -14.513 1.00 20.00 H ATOM 88 N LEU A 11 36.746 21.228 -12.496 1.00 21.59 N ATOM 89 CA LEU A 11 37.717 22.117 -11.863 1.00 25.02 C ATOM 90 C LEU A 11 38.424 22.801 -13.026 1.00 26.13 C ATOM 91 O LEU A 11 38.809 22.081 -13.962 1.00 25.07 O ATOM 92 CB LEU A 11 38.836 21.392 -11.122 1.00 26.03 C ATOM 93 CG LEU A 11 38.795 20.914 -9.704 1.00 29.76 C ATOM 94 CD1 LEU A 11 39.564 19.619 -9.589 1.00 30.81 C ATOM 95 CD2 LEU A 11 39.381 21.988 -8.795 1.00 32.46 C ATOM 96 H LEU A 11 37.065 20.736 -13.288 1.00 20.00 H ATOM 97 N SER A 12 38.614 24.122 -13.031 1.00 25.29 N ATOM 98 CA SER A 12 39.432 24.769 -14.057 1.00 27.68 C ATOM 99 C SER A 12 40.728 25.100 -13.343 1.00 26.51 C ATOM 100 O SER A 12 40.686 25.642 -12.230 1.00 28.64 O ATOM 101 CB SER A 12 38.805 26.061 -14.563 1.00 29.48 C ATOM 102 OG SER A 12 37.558 25.807 -15.194 1.00 37.49 O ATOM 103 H SER A 12 38.282 24.667 -12.277 1.00 20.00 H ATOM 104 HG SER A 12 37.312 26.593 -15.690 1.00 20.00 H ATOM 105 N ALA A 13 41.886 24.788 -13.909 1.00 23.99 N ATOM 106 CA ALA A 13 43.145 25.018 -13.235 1.00 24.32 C ATOM 107 C ALA A 13 44.257 25.319 -14.240 1.00 25.54 C ATOM 108 O ALA A 13 44.225 24.910 -15.406 1.00 24.72 O ATOM 109 CB ALA A 13 43.561 23.793 -12.444 1.00 24.39 C ATOM 110 H ALA A 13 41.922 24.443 -14.827 1.00 20.00 H ATOM 111 N SER A 14 45.248 26.045 -13.757 1.00 24.70 N ATOM 112 CA SER A 14 46.421 26.350 -14.529 1.00 27.29 C ATOM 113 C SER A 14 47.490 25.349 -14.125 1.00 24.40 C ATOM 114 O SER A 14 47.445 24.778 -13.033 1.00 23.58 O ATOM 115 CB SER A 14 46.945 27.761 -14.217 1.00 27.65 C ATOM 116 OG SER A 14 45.939 28.736 -14.421 1.00 34.68 O ATOM 117 H SER A 14 45.239 26.303 -12.822 1.00 20.00 H ATOM 118 HG SER A 14 45.662 28.725 -15.360 1.00 20.00 H ATOM 119 N VAL A 15 48.473 25.153 -15.007 1.00 24.33 N ATOM 120 CA VAL A 15 49.668 24.381 -14.722 1.00 21.98 C ATOM 121 C VAL A 15 50.369 25.048 -13.549 1.00 21.33 C ATOM 122 O VAL A 15 50.507 26.277 -13.425 1.00 20.92 O ATOM 123 CB VAL A 15 50.593 24.342 -15.986 1.00 23.23 C ATOM 124 CG1 VAL A 15 51.955 23.715 -15.678 1.00 20.34 C ATOM 125 CG2 VAL A 15 49.890 23.513 -17.069 1.00 23.33 C ATOM 126 H VAL A 15 48.378 25.566 -15.888 1.00 20.00 H ATOM 127 N GLY A 16 50.737 24.190 -12.623 1.00 20.44 N ATOM 128 CA GLY A 16 51.480 24.632 -11.480 1.00 18.39 C ATOM 129 C GLY A 16 50.554 24.780 -10.295 1.00 21.57 C ATOM 130 O GLY A 16 51.103 24.854 -9.198 1.00 23.97 O ATOM 131 H GLY A 16 50.398 23.271 -12.664 1.00 20.00 H ATOM 132 N GLU A 17 49.223 24.861 -10.441 1.00 21.56 N ATOM 133 CA GLU A 17 48.319 24.857 -9.304 1.00 24.54 C ATOM 134 C GLU A 17 48.240 23.507 -8.579 1.00 21.95 C ATOM 135 O GLU A 17 48.578 22.452 -9.131 1.00 20.26 O ATOM 136 CB GLU A 17 46.935 25.187 -9.736 1.00 26.08 C ATOM 137 CG GLU A 17 46.697 26.649 -9.999 1.00 34.67 C ATOM 138 CD GLU A 17 45.260 26.976 -10.409 1.00 39.87 C ATOM 139 OE1 GLU A 17 44.310 26.428 -9.835 1.00 44.72 O ATOM 140 OE2 GLU A 17 45.094 27.792 -11.316 1.00 42.79 O ATOM 141 H GLU A 17 48.841 24.953 -11.336 1.00 20.00 H ATOM 142 N THR A 18 47.826 23.507 -7.318 1.00 23.70 N ATOM 143 CA THR A 18 47.508 22.277 -6.595 1.00 22.44 C ATOM 144 C THR A 18 45.977 22.184 -6.515 1.00 21.72 C ATOM 145 O THR A 18 45.302 23.199 -6.298 1.00 23.89 O ATOM 146 CB THR A 18 48.142 22.337 -5.208 1.00 22.56 C ATOM 147 OG1 THR A 18 49.544 22.192 -5.450 1.00 27.56 O ATOM 148 CG2 THR A 18 47.643 21.275 -4.242 1.00 19.16 C ATOM 149 H THR A 18 47.698 24.362 -6.851 1.00 20.00 H ATOM 150 HG1 THR A 18 49.872 23.009 -5.873 1.00 20.00 H ATOM 151 N VAL A 19 45.372 21.010 -6.706 1.00 18.20 N ATOM 152 CA VAL A 19 43.923 20.850 -6.658 1.00 18.07 C ATOM 153 C VAL A 19 43.600 19.615 -5.813 1.00 18.34 C ATOM 154 O VAL A 19 44.481 18.768 -5.590 1.00 18.98 O ATOM 155 CB VAL A 19 43.284 20.653 -8.074 1.00 19.99 C ATOM 156 CG1 VAL A 19 43.527 21.923 -8.891 1.00 19.87 C ATOM 157 CG2 VAL A 19 43.819 19.389 -8.766 1.00 15.80 C ATOM 158 H VAL A 19 45.921 20.193 -6.685 1.00 20.00 H ATOM 159 N THR A 20 42.366 19.471 -5.346 1.00 20.20 N ATOM 160 CA THR A 20 41.955 18.351 -4.509 1.00 20.89 C ATOM 161 C THR A 20 40.623 17.848 -4.995 1.00 18.07 C ATOM 162 O THR A 20 39.740 18.666 -5.271 1.00 21.67 O ATOM 163 CB THR A 20 41.807 18.787 -3.063 1.00 24.40 C ATOM 164 OG1 THR A 20 43.033 19.414 -2.703 1.00 29.75 O ATOM 165 CG2 THR A 20 41.530 17.616 -2.129 1.00 26.48 C ATOM 166 H THR A 20 41.670 20.123 -5.585 1.00 20.00 H ATOM 167 HG1 THR A 20 43.761 18.791 -2.828 1.00 20.00 H ATOM 168 N ILE A 21 40.425 16.535 -5.093 1.00 18.16 N ATOM 169 CA ILE A 21 39.172 15.954 -5.571 1.00 17.85 C ATOM 170 C ILE A 21 38.669 15.092 -4.414 1.00 17.38 C ATOM 171 O ILE A 21 39.515 14.447 -3.790 1.00 16.75 O ATOM 172 CB ILE A 21 39.423 15.071 -6.822 1.00 18.01 C ATOM 173 CG1 ILE A 21 39.930 15.947 -7.969 1.00 22.33 C ATOM 174 CG2 ILE A 21 38.119 14.363 -7.239 1.00 19.50 C ATOM 175 CD1 ILE A 21 40.546 15.172 -9.175 1.00 22.55 C ATOM 176 H ILE A 21 41.087 15.912 -4.726 1.00 20.00 H ATOM 177 N THR A 22 37.380 15.035 -4.059 1.00 17.91 N ATOM 178 CA THR A 22 36.939 14.193 -2.959 1.00 18.36 C ATOM 179 C THR A 22 35.891 13.160 -3.319 1.00 15.75 C ATOM 180 O THR A 22 35.093 13.345 -4.242 1.00 15.52 O ATOM 181 CB THR A 22 36.415 15.097 -1.809 1.00 20.00 C ATOM 182 OG1 THR A 22 35.269 15.799 -2.292 1.00 22.72 O ATOM 183 CG2 THR A 22 37.431 16.139 -1.385 1.00 19.97 C ATOM 184 H THR A 22 36.699 15.577 -4.515 1.00 20.00 H ATOM 185 HG1 THR A 22 34.483 15.240 -2.188 1.00 20.00 H ATOM 186 N CYS A 23 35.898 12.048 -2.629 1.00 15.81 N ATOM 187 CA CYS A 23 34.879 11.041 -2.764 1.00 17.76 C ATOM 188 C CYS A 23 34.402 10.720 -1.368 1.00 15.40 C ATOM 189 O CYS A 23 35.216 10.443 -0.483 1.00 18.23 O ATOM 190 CB CYS A 23 35.421 9.763 -3.415 1.00 18.35 C ATOM 191 SG CYS A 23 35.279 9.926 -5.224 1.00 24.36 S ATOM 192 H CYS A 23 36.674 11.834 -2.074 1.00 20.00 H ATOM 193 N ARG A 24 33.105 10.798 -1.127 1.00 16.44 N ATOM 194 CA ARG A 24 32.583 10.439 0.167 1.00 18.34 C ATOM 195 C ARG A 24 31.742 9.192 0.003 1.00 15.89 C ATOM 196 O ARG A 24 30.869 9.139 -0.863 1.00 18.71 O ATOM 197 CB ARG A 24 31.788 11.631 0.699 1.00 19.20 C ATOM 198 CG ARG A 24 30.884 11.285 1.890 1.00 25.12 C ATOM 199 CD ARG A 24 30.165 12.449 2.578 1.00 29.73 C ATOM 200 NE ARG A 24 29.498 13.397 1.692 1.00 34.02 N ATOM 201 CZ ARG A 24 28.340 13.186 1.055 1.00 33.69 C ATOM 202 NH1 ARG A 24 27.626 12.068 1.191 1.00 35.29 N ATOM 203 NH2 ARG A 24 27.876 14.146 0.255 1.00 34.35 N ATOM 204 H ARG A 24 32.481 10.909 -1.858 1.00 20.00 H ATOM 205 HE ARG A 24 29.942 14.252 1.540 1.00 20.00 H ATOM 206 HH11 ARG A 24 27.925 11.336 1.801 1.00 0.00 H ATOM 207 HH12 ARG A 24 26.780 11.967 0.661 1.00 0.00 H ATOM 208 HH21 ARG A 24 28.395 14.992 0.131 1.00 0.00 H ATOM 209 HH22 ARG A 24 27.030 14.002 -0.257 1.00 0.00 H ATOM 210 N ALA A 25 31.995 8.163 0.792 1.00 15.98 N ATOM 211 CA ALA A 25 31.231 6.921 0.754 1.00 16.09 C ATOM 212 C ALA A 25 30.002 6.926 1.673 1.00 17.01 C ATOM 213 O ALA A 25 30.101 7.449 2.778 1.00 16.56 O ATOM 214 CB ALA A 25 32.124 5.783 1.180 1.00 13.41 C ATOM 215 H ALA A 25 32.649 8.279 1.520 1.00 20.00 H ATOM 216 N SER A 26 28.843 6.362 1.303 1.00 17.36 N ATOM 217 CA SER A 26 27.689 6.308 2.171 1.00 18.79 C ATOM 218 C SER A 26 27.872 5.308 3.319 1.00 20.22 C ATOM 219 O SER A 26 27.055 5.262 4.249 1.00 24.64 O ATOM 220 CB SER A 26 26.456 5.930 1.359 1.00 16.64 C ATOM 221 OG SER A 26 26.637 4.678 0.699 1.00 17.82 O ATOM 222 H SER A 26 28.727 6.004 0.398 1.00 20.00 H ATOM 223 HG SER A 26 26.140 4.015 1.223 1.00 20.00 H ATOM 224 N GLY A 27 28.923 4.489 3.314 1.00 18.04 N ATOM 225 CA GLY A 27 29.190 3.577 4.396 1.00 14.19 C ATOM 226 C GLY A 27 30.669 3.343 4.447 1.00 16.77 C ATOM 227 O GLY A 27 31.370 3.639 3.467 1.00 17.94 O ATOM 228 H GLY A 27 29.538 4.459 2.555 1.00 20.00 H ATOM 229 N ASN A 28 31.177 2.856 5.583 1.00 16.12 N ATOM 230 CA ASN A 28 32.615 2.654 5.755 1.00 19.88 C ATOM 231 C ASN A 28 33.165 1.646 4.741 1.00 19.16 C ATOM 232 O ASN A 28 32.667 0.513 4.629 1.00 17.27 O ATOM 233 CB ASN A 28 32.876 2.157 7.167 1.00 19.16 C ATOM 234 CG ASN A 28 34.324 2.099 7.594 1.00 19.60 C ATOM 235 OD1 ASN A 28 35.268 2.367 6.845 1.00 19.73 O ATOM 236 ND2 ASN A 28 34.584 1.642 8.811 1.00 23.36 N ATOM 237 H ASN A 28 30.577 2.758 6.355 1.00 20.00 H ATOM 238 HD21 ASN A 28 35.507 1.725 9.124 1.00 0.00 H ATOM 239 HD22 ASN A 28 33.851 1.275 9.360 1.00 0.00 H ATOM 240 N ILE A 29 34.120 2.070 3.922 1.00 17.75 N ATOM 241 CA ILE A 29 34.721 1.156 2.963 1.00 15.68 C ATOM 242 C ILE A 29 36.093 0.678 3.396 1.00 15.40 C ATOM 243 O ILE A 29 36.791 -0.020 2.650 1.00 14.35 O ATOM 244 CB ILE A 29 34.797 1.790 1.536 1.00 13.45 C ATOM 245 CG1 ILE A 29 35.465 3.158 1.508 1.00 13.79 C ATOM 246 CG2 ILE A 29 33.368 1.872 1.012 1.00 11.35 C ATOM 247 CD1 ILE A 29 35.661 3.646 0.049 1.00 13.34 C ATOM 248 H ILE A 29 34.303 3.030 3.894 1.00 20.00 H ATOM 249 N HIS A 30 36.509 1.061 4.616 1.00 12.79 N ATOM 250 CA HIS A 30 37.711 0.535 5.256 1.00 15.00 C ATOM 251 C HIS A 30 39.017 0.678 4.452 1.00 16.87 C ATOM 252 O HIS A 30 39.825 -0.259 4.413 1.00 13.64 O ATOM 253 CB HIS A 30 37.499 -0.963 5.598 1.00 16.67 C ATOM 254 CG HIS A 30 36.388 -1.259 6.588 1.00 18.81 C ATOM 255 ND1 HIS A 30 36.498 -1.384 7.906 1.00 20.31 N ATOM 256 CD2 HIS A 30 35.062 -1.379 6.263 1.00 19.39 C ATOM 257 CE1 HIS A 30 35.302 -1.572 8.389 1.00 18.50 C ATOM 258 NE2 HIS A 30 34.450 -1.568 7.403 1.00 20.73 N ATOM 259 H HIS A 30 36.046 1.808 5.058 1.00 20.00 H ATOM 260 HD1 HIS A 30 37.324 -1.607 8.417 1.00 20.00 H ATOM 261 HE2 HIS A 30 33.483 -1.749 7.510 1.00 20.00 H ATOM 262 N ASN A 31 39.215 1.822 3.772 1.00 17.62 N ATOM 263 CA ASN A 31 40.395 2.147 2.962 1.00 17.82 C ATOM 264 C ASN A 31 40.501 1.458 1.616 1.00 14.77 C ATOM 265 O ASN A 31 41.493 1.670 0.929 1.00 14.71 O ATOM 266 CB ASN A 31 41.727 1.856 3.683 1.00 24.78 C ATOM 267 CG ASN A 31 42.229 2.999 4.528 1.00 31.57 C ATOM 268 OD1 ASN A 31 41.567 3.428 5.462 1.00 36.35 O ATOM 269 ND2 ASN A 31 43.406 3.569 4.333 1.00 38.99 N ATOM 270 H ASN A 31 38.521 2.516 3.810 1.00 20.00 H ATOM 271 HD21 ASN A 31 43.588 4.399 4.823 1.00 0.00 H ATOM 272 HD22 ASN A 31 44.017 3.202 3.662 1.00 0.00 H ATOM 273 N TYR A 32 39.537 0.643 1.163 1.00 13.03 N ATOM 274 CA TYR A 32 39.579 -0.062 -0.121 1.00 12.51 C ATOM 275 C TYR A 32 39.026 0.896 -1.164 1.00 12.06 C ATOM 276 O TYR A 32 37.881 0.792 -1.602 1.00 10.17 O ATOM 277 CB TYR A 32 38.711 -1.359 -0.103 1.00 9.99 C ATOM 278 CG TYR A 32 39.465 -2.452 0.614 1.00 13.53 C ATOM 279 CD1 TYR A 32 40.376 -3.237 -0.075 1.00 12.86 C ATOM 280 CD2 TYR A 32 39.264 -2.644 1.969 1.00 13.11 C ATOM 281 CE1 TYR A 32 41.086 -4.213 0.608 1.00 15.28 C ATOM 282 CE2 TYR A 32 39.972 -3.617 2.663 1.00 12.50 C ATOM 283 CZ TYR A 32 40.878 -4.405 1.972 1.00 14.92 C ATOM 284 OH TYR A 32 41.538 -5.432 2.642 1.00 15.67 O ATOM 285 H TYR A 32 38.695 0.594 1.666 1.00 20.00 H ATOM 286 HH TYR A 32 41.659 -5.153 3.575 1.00 20.00 H ATOM 287 N LEU A 33 39.835 1.862 -1.550 1.00 11.48 N ATOM 288 CA LEU A 33 39.384 2.847 -2.502 1.00 14.29 C ATOM 289 C LEU A 33 40.542 3.086 -3.476 1.00 11.41 C ATOM 290 O LEU A 33 41.712 3.166 -3.082 1.00 13.48 O ATOM 291 CB LEU A 33 38.986 4.167 -1.771 1.00 14.20 C ATOM 292 CG LEU A 33 38.504 5.268 -2.736 1.00 14.35 C ATOM 293 CD1 LEU A 33 37.047 5.522 -2.562 1.00 16.21 C ATOM 294 CD2 LEU A 33 39.307 6.527 -2.503 1.00 15.40 C ATOM 295 H LEU A 33 40.785 1.811 -1.310 1.00 20.00 H ATOM 296 N ALA A 34 40.201 3.212 -4.744 1.00 14.93 N ATOM 297 CA ALA A 34 41.168 3.434 -5.807 1.00 15.63 C ATOM 298 C ALA A 34 40.785 4.643 -6.673 1.00 15.07 C ATOM 299 O ALA A 34 39.610 5.019 -6.773 1.00 14.70 O ATOM 300 CB ALA A 34 41.252 2.170 -6.690 1.00 14.01 C ATOM 301 H ALA A 34 39.259 3.279 -4.987 1.00 20.00 H ATOM 302 N TRP A 35 41.767 5.294 -7.288 1.00 13.20 N ATOM 303 CA TRP A 35 41.554 6.430 -8.161 1.00 14.47 C ATOM 304 C TRP A 35 42.120 6.110 -9.534 1.00 12.69 C ATOM 305 O TRP A 35 43.174 5.479 -9.660 1.00 12.57 O ATOM 306 CB TRP A 35 42.250 7.684 -7.613 1.00 12.42 C ATOM 307 CG TRP A 35 41.632 8.266 -6.337 1.00 11.61 C ATOM 308 CD1 TRP A 35 42.118 7.933 -5.097 1.00 11.10 C ATOM 309 CD2 TRP A 35 40.624 9.192 -6.271 1.00 11.48 C ATOM 310 NE1 TRP A 35 41.426 8.648 -4.235 1.00 13.94 N ATOM 311 CE2 TRP A 35 40.516 9.408 -4.887 1.00 14.81 C ATOM 312 CE3 TRP A 35 39.801 9.854 -7.162 1.00 9.88 C ATOM 313 CZ2 TRP A 35 39.598 10.321 -4.377 1.00 11.68 C ATOM 314 CZ3 TRP A 35 38.881 10.760 -6.640 1.00 13.73 C ATOM 315 CH2 TRP A 35 38.774 10.990 -5.265 1.00 9.44 C ATOM 316 H TRP A 35 42.667 4.933 -7.189 1.00 20.00 H ATOM 317 HE1 TRP A 35 41.559 8.602 -3.258 1.00 20.00 H ATOM 318 N TYR A 36 41.421 6.520 -10.561 1.00 12.32 N ATOM 319 CA TYR A 36 41.810 6.323 -11.956 1.00 14.74 C ATOM 320 C TYR A 36 41.815 7.671 -12.683 1.00 14.27 C ATOM 321 O TYR A 36 41.010 8.561 -12.358 1.00 14.76 O ATOM 322 CB TYR A 36 40.818 5.378 -12.732 1.00 12.87 C ATOM 323 CG TYR A 36 40.637 4.020 -12.092 1.00 15.30 C ATOM 324 CD1 TYR A 36 41.478 2.968 -12.407 1.00 14.71 C ATOM 325 CD2 TYR A 36 39.628 3.862 -11.146 1.00 16.62 C ATOM 326 CE1 TYR A 36 41.325 1.761 -11.749 1.00 15.69 C ATOM 327 CE2 TYR A 36 39.472 2.655 -10.482 1.00 15.63 C ATOM 328 CZ TYR A 36 40.325 1.617 -10.799 1.00 16.15 C ATOM 329 OH TYR A 36 40.213 0.426 -10.129 1.00 14.33 O ATOM 330 H TYR A 36 40.610 7.040 -10.375 1.00 20.00 H ATOM 331 HH TYR A 36 39.431 0.456 -9.544 1.00 20.00 H ATOM 332 N GLN A 37 42.701 7.787 -13.675 1.00 14.45 N ATOM 333 CA GLN A 37 42.723 8.919 -14.582 1.00 15.04 C ATOM 334 C GLN A 37 42.252 8.422 -15.943 1.00 14.89 C ATOM 335 O GLN A 37 42.637 7.325 -16.368 1.00 16.25 O ATOM 336 CB GLN A 37 44.134 9.471 -14.712 1.00 15.49 C ATOM 337 CG GLN A 37 44.341 10.662 -15.642 1.00 17.74 C ATOM 338 CD GLN A 37 45.847 10.881 -15.762 1.00 21.79 C ATOM 339 OE1 GLN A 37 46.418 11.857 -15.278 1.00 26.08 O ATOM 340 NE2 GLN A 37 46.607 9.944 -16.309 1.00 22.44 N ATOM 341 H GLN A 37 43.284 7.029 -13.867 1.00 20.00 H ATOM 342 HE21 GLN A 37 47.566 10.115 -16.367 1.00 0.00 H ATOM 343 HE22 GLN A 37 46.194 9.124 -16.657 1.00 0.00 H ATOM 344 N GLN A 38 41.428 9.184 -16.654 1.00 14.65 N ATOM 345 CA GLN A 38 41.033 8.822 -17.996 1.00 16.47 C ATOM 346 C GLN A 38 41.270 10.038 -18.876 1.00 18.72 C ATOM 347 O GLN A 38 40.699 11.112 -18.645 1.00 16.72 O ATOM 348 CB GLN A 38 39.577 8.441 -18.054 1.00 15.88 C ATOM 349 CG GLN A 38 39.219 7.945 -19.456 1.00 16.45 C ATOM 350 CD GLN A 38 37.801 7.411 -19.533 1.00 21.22 C ATOM 351 OE1 GLN A 38 36.888 7.927 -18.870 1.00 23.12 O ATOM 352 NE2 GLN A 38 37.579 6.368 -20.314 1.00 18.15 N ATOM 353 H GLN A 38 41.189 10.071 -16.319 1.00 20.00 H ATOM 354 HE21 GLN A 38 36.664 6.027 -20.362 1.00 0.00 H ATOM 355 HE22 GLN A 38 38.338 6.008 -20.829 1.00 0.00 H ATOM 356 N LYS A 39 42.199 9.897 -19.810 1.00 23.27 N ATOM 357 CA LYS A 39 42.503 10.916 -20.821 1.00 28.56 C ATOM 358 C LYS A 39 41.472 10.831 -21.918 1.00 30.02 C ATOM 359 O LYS A 39 40.882 9.756 -22.129 1.00 28.19 O ATOM 360 CB LYS A 39 43.840 10.690 -21.509 1.00 31.26 C ATOM 361 CG LYS A 39 45.078 10.698 -20.659 1.00 34.02 C ATOM 362 CD LYS A 39 45.328 12.135 -20.276 1.00 38.36 C ATOM 363 CE LYS A 39 46.537 12.186 -19.392 1.00 41.63 C ATOM 364 NZ LYS A 39 47.777 12.058 -20.130 1.00 43.61 N ATOM 365 H LYS A 39 42.679 9.050 -19.859 1.00 20.00 H ATOM 366 HZ1 LYS A 39 47.813 12.783 -20.875 1.00 20.00 H ATOM 367 HZ2 LYS A 39 48.572 12.197 -19.474 1.00 20.00 H ATOM 368 HZ3 LYS A 39 47.833 11.111 -20.553 1.00 20.00 H ATOM 369 N GLN A 40 41.254 11.949 -22.612 1.00 34.74 N ATOM 370 CA GLN A 40 40.332 11.995 -23.757 1.00 42.86 C ATOM 371 C GLN A 40 40.583 10.827 -24.715 1.00 41.15 C ATOM 372 O GLN A 40 41.697 10.625 -25.218 1.00 41.37 O ATOM 373 CB GLN A 40 40.486 13.272 -24.592 1.00 49.17 C ATOM 374 CG GLN A 40 39.988 14.591 -23.996 1.00 58.66 C ATOM 375 CD GLN A 40 40.699 15.818 -24.574 1.00 62.44 C ATOM 376 OE1 GLN A 40 40.508 16.246 -25.720 1.00 63.13 O ATOM 377 NE2 GLN A 40 41.609 16.409 -23.814 1.00 64.32 N ATOM 378 H GLN A 40 41.706 12.763 -22.301 1.00 20.00 H ATOM 379 HE21 GLN A 40 42.089 17.185 -24.157 1.00 0.00 H ATOM 380 HE22 GLN A 40 41.797 16.014 -22.929 1.00 0.00 H ATOM 381 N GLY A 41 39.529 10.013 -24.833 1.00 40.07 N ATOM 382 CA GLY A 41 39.497 8.856 -25.712 1.00 37.47 C ATOM 383 C GLY A 41 40.409 7.699 -25.299 1.00 37.20 C ATOM 384 O GLY A 41 40.790 6.912 -26.171 1.00 38.47 O ATOM 385 H GLY A 41 38.772 10.163 -24.235 1.00 20.00 H ATOM 386 N LYS A 42 40.797 7.525 -24.035 1.00 33.21 N ATOM 387 CA LYS A 42 41.679 6.434 -23.663 1.00 30.07 C ATOM 388 C LYS A 42 40.976 5.643 -22.590 1.00 25.13 C ATOM 389 O LYS A 42 39.945 6.077 -22.060 1.00 21.88 O ATOM 390 CB LYS A 42 43.006 6.944 -23.089 1.00 32.92 C ATOM 391 CG LYS A 42 43.806 7.902 -23.963 1.00 37.78 C ATOM 392 CD LYS A 42 44.140 7.250 -25.286 1.00 42.17 C ATOM 393 CE LYS A 42 44.930 8.213 -26.144 1.00 45.98 C ATOM 394 NZ LYS A 42 45.584 7.458 -27.200 1.00 48.93 N ATOM 395 H LYS A 42 40.496 8.118 -23.322 1.00 20.00 H ATOM 396 HZ1 LYS A 42 46.059 6.633 -26.776 1.00 20.00 H ATOM 397 HZ2 LYS A 42 44.888 7.139 -27.906 1.00 20.00 H ATOM 398 HZ3 LYS A 42 46.295 8.068 -27.654 1.00 20.00 H ATOM 399 N SER A 43 41.541 4.477 -22.268 1.00 23.91 N ATOM 400 CA SER A 43 41.073 3.632 -21.164 1.00 21.48 C ATOM 401 C SER A 43 41.422 4.311 -19.840 1.00 19.20 C ATOM 402 O SER A 43 42.410 5.061 -19.757 1.00 16.98 O ATOM 403 CB SER A 43 41.755 2.263 -21.179 1.00 20.00 C ATOM 404 OG SER A 43 41.567 1.654 -22.435 1.00 24.38 O ATOM 405 H SER A 43 42.269 4.151 -22.837 1.00 20.00 H ATOM 406 HG SER A 43 40.806 1.058 -22.349 1.00 20.00 H ATOM 407 N PRO A 44 40.660 4.066 -18.763 1.00 16.63 N ATOM 408 CA PRO A 44 41.038 4.472 -17.435 1.00 15.48 C ATOM 409 C PRO A 44 42.398 3.854 -17.102 1.00 16.49 C ATOM 410 O PRO A 44 42.766 2.787 -17.618 1.00 16.52 O ATOM 411 CB PRO A 44 39.893 3.984 -16.552 1.00 15.25 C ATOM 412 CG PRO A 44 38.722 3.988 -17.492 1.00 18.29 C ATOM 413 CD PRO A 44 39.356 3.412 -18.765 1.00 15.30 C ATOM 414 N GLN A 45 43.172 4.547 -16.282 1.00 14.56 N ATOM 415 CA GLN A 45 44.462 4.071 -15.865 1.00 19.84 C ATOM 416 C GLN A 45 44.526 4.195 -14.343 1.00 17.02 C ATOM 417 O GLN A 45 44.213 5.262 -13.779 1.00 15.74 O ATOM 418 CB GLN A 45 45.510 4.941 -16.519 1.00 24.97 C ATOM 419 CG GLN A 45 46.903 4.486 -16.236 1.00 36.97 C ATOM 420 CD GLN A 45 47.870 5.658 -16.274 1.00 44.80 C ATOM 421 OE1 GLN A 45 48.189 6.193 -17.345 1.00 47.37 O ATOM 422 NE2 GLN A 45 48.338 6.103 -15.102 1.00 47.18 N ATOM 423 H GLN A 45 42.886 5.437 -15.987 1.00 20.00 H ATOM 424 HE21 GLN A 45 48.962 6.857 -15.119 1.00 0.00 H ATOM 425 HE22 GLN A 45 48.036 5.664 -14.278 1.00 0.00 H ATOM 426 N LEU A 46 44.922 3.120 -13.667 1.00 13.41 N ATOM 427 CA LEU A 46 45.080 3.146 -12.237 1.00 14.36 C ATOM 428 C LEU A 46 46.141 4.136 -11.774 1.00 15.94 C ATOM 429 O LEU A 46 47.288 4.147 -12.246 1.00 13.52 O ATOM 430 CB LEU A 46 45.450 1.738 -11.722 1.00 16.88 C ATOM 431 CG LEU A 46 45.633 1.562 -10.211 1.00 16.84 C ATOM 432 CD1 LEU A 46 44.303 1.758 -9.495 1.00 13.36 C ATOM 433 CD2 LEU A 46 46.184 0.177 -9.941 1.00 17.28 C ATOM 434 H LEU A 46 45.084 2.285 -14.156 1.00 20.00 H ATOM 435 N LEU A 47 45.739 5.015 -10.858 1.00 13.43 N ATOM 436 CA LEU A 47 46.668 5.905 -10.194 1.00 14.98 C ATOM 437 C LEU A 47 47.054 5.522 -8.750 1.00 15.38 C ATOM 438 O LEU A 47 48.250 5.454 -8.412 1.00 16.89 O ATOM 439 CB LEU A 47 46.096 7.312 -10.154 1.00 14.28 C ATOM 440 CG LEU A 47 45.757 8.053 -11.423 1.00 19.14 C ATOM 441 CD1 LEU A 47 45.388 9.467 -11.011 1.00 21.12 C ATOM 442 CD2 LEU A 47 46.920 8.148 -12.365 1.00 16.52 C ATOM 443 H LEU A 47 44.779 5.125 -10.683 1.00 20.00 H ATOM 444 N VAL A 48 46.037 5.261 -7.907 1.00 13.04 N ATOM 445 CA VAL A 48 46.187 5.084 -6.466 1.00 15.22 C ATOM 446 C VAL A 48 45.303 3.922 -6.064 1.00 11.70 C ATOM 447 O VAL A 48 44.176 3.857 -6.554 1.00 12.69 O ATOM 448 CB VAL A 48 45.711 6.369 -5.642 1.00 15.20 C ATOM 449 CG1 VAL A 48 45.861 6.129 -4.151 1.00 13.90 C ATOM 450 CG2 VAL A 48 46.532 7.598 -6.009 1.00 15.53 C ATOM 451 H VAL A 48 45.139 5.140 -8.289 1.00 20.00 H ATOM 452 N TYR A 49 45.763 3.030 -5.205 1.00 14.50 N ATOM 453 CA TYR A 49 44.909 1.972 -4.669 1.00 13.53 C ATOM 454 C TYR A 49 45.096 1.958 -3.146 1.00 14.26 C ATOM 455 O TYR A 49 46.075 2.554 -2.632 1.00 13.06 O ATOM 456 CB TYR A 49 45.284 0.615 -5.291 1.00 12.84 C ATOM 457 CG TYR A 49 46.704 0.108 -5.065 1.00 16.10 C ATOM 458 CD1 TYR A 49 47.725 0.416 -5.959 1.00 16.12 C ATOM 459 CD2 TYR A 49 46.954 -0.690 -3.964 1.00 16.09 C ATOM 460 CE1 TYR A 49 48.993 -0.097 -5.745 1.00 18.32 C ATOM 461 CE2 TYR A 49 48.215 -1.188 -3.746 1.00 19.07 C ATOM 462 CZ TYR A 49 49.223 -0.893 -4.638 1.00 21.31 C ATOM 463 OH TYR A 49 50.483 -1.399 -4.366 1.00 24.31 O ATOM 464 H TYR A 49 46.670 3.136 -4.849 1.00 20.00 H ATOM 465 HH TYR A 49 51.121 -1.041 -5.007 1.00 20.00 H ATOM 466 N TYR A 50 44.184 1.281 -2.421 1.00 11.75 N ATOM 467 CA TYR A 50 44.110 1.219 -0.969 1.00 12.12 C ATOM 468 C TYR A 50 44.398 2.576 -0.326 1.00 11.46 C ATOM 469 O TYR A 50 45.288 2.754 0.521 1.00 14.44 O ATOM 470 CB TYR A 50 45.089 0.171 -0.428 1.00 13.90 C ATOM 471 CG TYR A 50 44.695 -0.322 0.961 1.00 13.86 C ATOM 472 CD1 TYR A 50 43.463 -0.922 1.148 1.00 16.04 C ATOM 473 CD2 TYR A 50 45.540 -0.119 2.030 1.00 13.55 C ATOM 474 CE1 TYR A 50 43.061 -1.316 2.413 1.00 15.76 C ATOM 475 CE2 TYR A 50 45.153 -0.510 3.299 1.00 18.20 C ATOM 476 CZ TYR A 50 43.918 -1.100 3.477 1.00 18.35 C ATOM 477 OH TYR A 50 43.540 -1.464 4.751 1.00 20.02 O ATOM 478 H TYR A 50 43.485 0.792 -2.903 1.00 20.00 H ATOM 479 HH TYR A 50 42.575 -1.582 4.761 1.00 20.00 H ATOM 480 N THR A 51 43.634 3.551 -0.810 1.00 11.83 N ATOM 481 CA THR A 51 43.632 4.957 -0.398 1.00 14.38 C ATOM 482 C THR A 51 44.899 5.791 -0.672 1.00 13.46 C ATOM 483 O THR A 51 44.758 6.922 -1.138 1.00 14.48 O ATOM 484 CB THR A 51 43.291 5.077 1.150 1.00 15.04 C ATOM 485 OG1 THR A 51 42.053 4.401 1.395 1.00 15.78 O ATOM 486 CG2 THR A 51 43.115 6.520 1.590 1.00 9.97 C ATOM 487 H THR A 51 43.044 3.331 -1.562 1.00 20.00 H ATOM 488 HG1 THR A 51 41.758 3.950 0.598 1.00 20.00 H ATOM 489 N THR A 52 46.116 5.288 -0.505 1.00 13.99 N ATOM 490 CA THR A 52 47.317 6.079 -0.485 1.00 14.93 C ATOM 491 C THR A 52 48.429 5.539 -1.377 1.00 18.36 C ATOM 492 O THR A 52 49.440 6.227 -1.599 1.00 18.54 O ATOM 493 CB THR A 52 47.878 6.171 0.995 1.00 18.78 C ATOM 494 OG1 THR A 52 48.136 4.817 1.405 1.00 22.45 O ATOM 495 CG2 THR A 52 46.936 6.811 2.020 1.00 14.49 C ATOM 496 H THR A 52 46.204 4.316 -0.534 1.00 20.00 H ATOM 497 HG1 THR A 52 49.074 4.635 1.222 1.00 20.00 H ATOM 498 N THR A 53 48.340 4.300 -1.859 1.00 17.51 N ATOM 499 CA THR A 53 49.488 3.702 -2.517 1.00 21.41 C ATOM 500 C THR A 53 49.481 4.003 -4.003 1.00 20.48 C ATOM 501 O THR A 53 48.522 3.700 -4.729 1.00 20.33 O ATOM 502 CB THR A 53 49.489 2.181 -2.285 1.00 21.12 C ATOM 503 OG1 THR A 53 49.285 1.943 -0.898 1.00 24.75 O ATOM 504 CG2 THR A 53 50.810 1.564 -2.701 1.00 22.51 C ATOM 505 H THR A 53 47.507 3.789 -1.864 1.00 20.00 H ATOM 506 HG1 THR A 53 48.462 2.355 -0.619 1.00 20.00 H ATOM 507 N LEU A 54 50.565 4.641 -4.426 1.00 20.21 N ATOM 508 CA LEU A 54 50.749 4.961 -5.828 1.00 18.78 C ATOM 509 C LEU A 54 51.016 3.720 -6.649 1.00 18.12 C ATOM 510 O LEU A 54 51.720 2.783 -6.237 1.00 17.10 O ATOM 511 CB LEU A 54 51.899 5.926 -5.966 1.00 20.24 C ATOM 512 CG LEU A 54 51.594 7.413 -6.064 1.00 22.05 C ATOM 513 CD1 LEU A 54 50.676 7.896 -4.967 1.00 25.64 C ATOM 514 CD2 LEU A 54 52.901 8.132 -5.943 1.00 23.33 C ATOM 515 H LEU A 54 51.262 4.893 -3.781 1.00 20.00 H ATOM 516 N ALA A 55 50.381 3.676 -7.800 1.00 21.22 N ATOM 517 CA ALA A 55 50.622 2.569 -8.705 1.00 25.35 C ATOM 518 C ALA A 55 52.008 2.774 -9.322 1.00 26.38 C ATOM 519 O ALA A 55 52.571 3.879 -9.324 1.00 23.35 O ATOM 520 CB ALA A 55 49.598 2.561 -9.824 1.00 24.22 C ATOM 521 H ALA A 55 49.880 4.459 -8.103 1.00 20.00 H ATOM 522 N ASP A 56 52.596 1.709 -9.855 1.00 31.28 N ATOM 523 CA ASP A 56 53.896 1.798 -10.495 1.00 34.34 C ATOM 524 C ASP A 56 53.881 2.765 -11.649 1.00 32.17 C ATOM 525 O ASP A 56 52.988 2.783 -12.497 1.00 32.66 O ATOM 526 CB ASP A 56 54.354 0.462 -11.047 1.00 40.31 C ATOM 527 CG ASP A 56 54.509 -0.610 -9.987 1.00 44.53 C ATOM 528 OD1 ASP A 56 55.154 -0.370 -8.962 1.00 45.66 O ATOM 529 OD2 ASP A 56 53.957 -1.689 -10.206 1.00 50.20 O ATOM 530 H ASP A 56 52.122 0.849 -9.839 1.00 20.00 H ATOM 531 N GLY A 57 54.841 3.664 -11.546 1.00 33.01 N ATOM 532 CA GLY A 57 55.022 4.636 -12.594 1.00 32.92 C ATOM 533 C GLY A 57 54.224 5.897 -12.358 1.00 31.87 C ATOM 534 O GLY A 57 54.456 6.832 -13.118 1.00 36.41 O ATOM 535 H GLY A 57 55.318 3.780 -10.698 1.00 20.00 H ATOM 536 N VAL A 58 53.322 6.024 -11.373 1.00 29.73 N ATOM 537 CA VAL A 58 52.590 7.277 -11.191 1.00 26.19 C ATOM 538 C VAL A 58 53.529 8.268 -10.503 1.00 26.20 C ATOM 539 O VAL A 58 54.196 7.909 -9.527 1.00 28.24 O ATOM 540 CB VAL A 58 51.322 7.027 -10.341 1.00 24.21 C ATOM 541 CG1 VAL A 58 50.587 8.323 -10.026 1.00 21.05 C ATOM 542 CG2 VAL A 58 50.441 6.071 -11.110 1.00 22.34 C ATOM 543 H VAL A 58 53.215 5.322 -10.694 1.00 20.00 H ATOM 544 N PRO A 59 53.691 9.511 -10.969 1.00 26.41 N ATOM 545 CA PRO A 59 54.537 10.507 -10.317 1.00 25.68 C ATOM 546 C PRO A 59 54.057 10.883 -8.929 1.00 25.48 C ATOM 547 O PRO A 59 52.854 10.972 -8.664 1.00 25.36 O ATOM 548 CB PRO A 59 54.543 11.657 -11.295 1.00 27.13 C ATOM 549 CG PRO A 59 53.234 11.513 -12.036 1.00 26.04 C ATOM 550 CD PRO A 59 53.135 10.006 -12.223 1.00 26.42 C ATOM 551 N SER A 60 55.000 11.252 -8.078 1.00 25.05 N ATOM 552 CA SER A 60 54.732 11.524 -6.683 1.00 29.16 C ATOM 553 C SER A 60 53.931 12.776 -6.429 1.00 28.02 C ATOM 554 O SER A 60 53.564 13.050 -5.283 1.00 29.44 O ATOM 555 CB SER A 60 56.033 11.634 -5.935 1.00 32.00 C ATOM 556 OG SER A 60 56.889 12.562 -6.605 1.00 38.54 O ATOM 557 H SER A 60 55.924 11.384 -8.376 1.00 20.00 H ATOM 558 HG SER A 60 57.599 12.801 -5.999 1.00 20.00 H ATOM 559 N ARG A 61 53.664 13.582 -7.461 1.00 25.65 N ATOM 560 CA ARG A 61 52.830 14.741 -7.245 1.00 25.42 C ATOM 561 C ARG A 61 51.379 14.332 -6.951 1.00 24.58 C ATOM 562 O ARG A 61 50.608 15.184 -6.518 1.00 24.96 O ATOM 563 CB ARG A 61 52.933 15.671 -8.478 1.00 26.13 C ATOM 564 CG ARG A 61 52.361 15.245 -9.812 1.00 25.20 C ATOM 565 CD ARG A 61 52.591 16.347 -10.844 1.00 23.24 C ATOM 566 NE ARG A 61 52.044 15.872 -12.099 1.00 22.46 N ATOM 567 CZ ARG A 61 52.795 15.182 -12.949 1.00 22.97 C ATOM 568 NH1 ARG A 61 54.106 15.046 -12.763 1.00 25.31 N ATOM 569 NH2 ARG A 61 52.273 14.691 -14.055 1.00 21.85 N ATOM 570 H ARG A 61 54.044 13.413 -8.342 1.00 20.00 H ATOM 571 HE ARG A 61 51.103 16.007 -12.287 1.00 20.00 H ATOM 572 HH11 ARG A 61 54.566 15.493 -11.998 1.00 0.00 H ATOM 573 HH12 ARG A 61 54.639 14.507 -13.416 1.00 0.00 H ATOM 574 HH21 ARG A 61 51.325 14.877 -14.284 1.00 0.00 H ATOM 575 HH22 ARG A 61 52.845 14.160 -14.683 1.00 0.00 H ATOM 576 N PHE A 62 50.960 13.080 -7.189 1.00 24.24 N ATOM 577 CA PHE A 62 49.635 12.593 -6.814 1.00 24.53 C ATOM 578 C PHE A 62 49.649 12.048 -5.394 1.00 22.86 C ATOM 579 O PHE A 62 50.552 11.269 -5.053 1.00 21.06 O ATOM 580 CB PHE A 62 49.175 11.466 -7.738 1.00 22.18 C ATOM 581 CG PHE A 62 48.879 11.940 -9.150 1.00 23.56 C ATOM 582 CD1 PHE A 62 49.888 11.973 -10.103 1.00 23.95 C ATOM 583 CD2 PHE A 62 47.602 12.340 -9.485 1.00 22.50 C ATOM 584 CE1 PHE A 62 49.615 12.407 -11.389 1.00 23.49 C ATOM 585 CE2 PHE A 62 47.333 12.773 -10.779 1.00 23.69 C ATOM 586 CZ PHE A 62 48.336 12.807 -11.732 1.00 23.75 C ATOM 587 H PHE A 62 51.574 12.446 -7.619 1.00 20.00 H ATOM 588 N SER A 63 48.756 12.467 -4.500 1.00 20.00 N ATOM 589 CA SER A 63 48.712 11.801 -3.214 1.00 21.99 C ATOM 590 C SER A 63 47.282 11.556 -2.770 1.00 20.98 C ATOM 591 O SER A 63 46.380 12.370 -3.008 1.00 21.23 O ATOM 592 CB SER A 63 49.434 12.627 -2.159 1.00 22.73 C ATOM 593 OG SER A 63 48.798 13.862 -1.914 1.00 24.64 O ATOM 594 H SER A 63 48.245 13.296 -4.632 1.00 20.00 H ATOM 595 HG SER A 63 48.998 14.422 -2.673 1.00 20.00 H ATOM 596 N GLY A 64 47.033 10.412 -2.172 1.00 19.61 N ATOM 597 CA GLY A 64 45.697 10.112 -1.714 1.00 20.62 C ATOM 598 C GLY A 64 45.684 10.082 -0.202 1.00 16.43 C ATOM 599 O GLY A 64 46.710 9.777 0.409 1.00 15.66 O ATOM 600 H GLY A 64 47.759 9.780 -1.984 1.00 20.00 H ATOM 601 N SER A 65 44.548 10.405 0.390 1.00 17.93 N ATOM 602 CA SER A 65 44.385 10.340 1.829 1.00 17.39 C ATOM 603 C SER A 65 42.905 10.031 2.109 1.00 18.81 C ATOM 604 O SER A 65 42.085 9.995 1.175 1.00 15.83 O ATOM 605 CB SER A 65 44.820 11.684 2.432 1.00 18.88 C ATOM 606 OG SER A 65 43.880 12.693 2.064 1.00 23.15 O ATOM 607 H SER A 65 43.781 10.700 -0.153 1.00 20.00 H ATOM 608 HG SER A 65 44.174 13.110 1.234 1.00 20.00 H ATOM 609 N GLY A 66 42.539 9.763 3.368 1.00 20.23 N ATOM 610 CA GLY A 66 41.181 9.458 3.760 1.00 22.49 C ATOM 611 C GLY A 66 41.152 8.249 4.685 1.00 28.22 C ATOM 612 O GLY A 66 42.145 7.512 4.854 1.00 28.22 O ATOM 613 H GLY A 66 43.237 9.734 4.060 1.00 20.00 H ATOM 614 N SER A 67 39.996 8.053 5.314 1.00 30.16 N ATOM 615 CA SER A 67 39.734 6.943 6.229 1.00 30.07 C ATOM 616 C SER A 67 38.235 6.846 6.355 1.00 29.63 C ATOM 617 O SER A 67 37.540 7.851 6.124 1.00 29.00 O ATOM 618 CB SER A 67 40.234 7.181 7.652 1.00 32.93 C ATOM 619 OG SER A 67 41.638 7.348 7.764 1.00 41.97 O ATOM 620 H SER A 67 39.240 8.657 5.133 1.00 20.00 H ATOM 621 HG SER A 67 42.039 6.971 6.970 1.00 20.00 H ATOM 622 N GLY A 68 37.727 5.682 6.756 1.00 28.45 N ATOM 623 CA GLY A 68 36.305 5.548 7.014 1.00 27.09 C ATOM 624 C GLY A 68 35.470 5.845 5.789 1.00 24.24 C ATOM 625 O GLY A 68 35.368 4.982 4.904 1.00 19.45 O ATOM 626 H GLY A 68 38.291 4.875 6.827 1.00 20.00 H ATOM 627 N THR A 69 34.939 7.075 5.731 1.00 23.38 N ATOM 628 CA THR A 69 34.056 7.478 4.630 1.00 21.76 C ATOM 629 C THR A 69 34.433 8.720 3.827 1.00 20.29 C ATOM 630 O THR A 69 33.772 8.922 2.815 1.00 18.12 O ATOM 631 CB THR A 69 32.598 7.655 5.147 1.00 23.20 C ATOM 632 OG1 THR A 69 32.662 8.632 6.178 1.00 30.93 O ATOM 633 CG2 THR A 69 31.992 6.392 5.738 1.00 19.83 C ATOM 634 H THR A 69 35.134 7.721 6.445 1.00 20.00 H ATOM 635 HG1 THR A 69 31.752 8.820 6.465 1.00 20.00 H ATOM 636 N GLN A 70 35.382 9.622 4.141 1.00 24.85 N ATOM 637 CA GLN A 70 35.732 10.690 3.200 1.00 28.23 C ATOM 638 C GLN A 70 37.178 10.440 2.735 1.00 25.17 C ATOM 639 O GLN A 70 38.049 9.955 3.488 1.00 23.71 O ATOM 640 CB GLN A 70 35.589 12.073 3.873 1.00 34.15 C ATOM 641 CG GLN A 70 35.479 13.217 2.843 1.00 41.90 C ATOM 642 CD GLN A 70 34.252 14.143 2.943 1.00 46.67 C ATOM 643 OE1 GLN A 70 33.148 13.820 2.504 1.00 47.96 O ATOM 644 NE2 GLN A 70 34.303 15.342 3.513 1.00 49.29 N ATOM 645 H GLN A 70 35.808 9.599 5.022 1.00 20.00 H ATOM 646 HE21 GLN A 70 33.534 15.938 3.385 1.00 0.00 H ATOM 647 HE22 GLN A 70 35.116 15.598 3.995 1.00 0.00 H ATOM 648 N TYR A 71 37.387 10.587 1.427 1.00 20.47 N ATOM 649 CA TYR A 71 38.677 10.307 0.810 1.00 20.10 C ATOM 650 C TYR A 71 39.035 11.419 -0.177 1.00 19.88 C ATOM 651 O TYR A 71 38.129 11.992 -0.787 1.00 21.04 O ATOM 652 CB TYR A 71 38.593 8.935 0.094 1.00 17.92 C ATOM 653 CG TYR A 71 38.367 7.738 1.034 1.00 18.91 C ATOM 654 CD1 TYR A 71 37.096 7.388 1.465 1.00 15.20 C ATOM 655 CD2 TYR A 71 39.465 7.030 1.509 1.00 17.78 C ATOM 656 CE1 TYR A 71 36.945 6.338 2.365 1.00 14.87 C ATOM 657 CE2 TYR A 71 39.309 5.985 2.400 1.00 16.85 C ATOM 658 CZ TYR A 71 38.047 5.652 2.825 1.00 14.47 C ATOM 659 OH TYR A 71 37.909 4.606 3.715 1.00 13.37 O ATOM 660 H TYR A 71 36.671 10.908 0.833 1.00 20.00 H ATOM 661 HH TYR A 71 37.000 4.635 4.051 1.00 20.00 H ATOM 662 N SER A 72 40.316 11.757 -0.355 1.00 18.65 N ATOM 663 CA SER A 72 40.789 12.799 -1.277 1.00 20.16 C ATOM 664 C SER A 72 41.982 12.393 -2.136 1.00 17.13 C ATOM 665 O SER A 72 42.869 11.635 -1.709 1.00 15.08 O ATOM 666 CB SER A 72 41.257 14.031 -0.541 1.00 18.85 C ATOM 667 OG SER A 72 40.221 14.371 0.325 1.00 28.48 O ATOM 668 H SER A 72 40.978 11.306 0.208 1.00 20.00 H ATOM 669 HG SER A 72 40.107 13.613 0.919 1.00 20.00 H ATOM 670 N LEU A 73 41.992 12.942 -3.345 1.00 15.31 N ATOM 671 CA LEU A 73 43.145 12.834 -4.211 1.00 15.05 C ATOM 672 C LEU A 73 43.669 14.253 -4.315 1.00 16.36 C ATOM 673 O LEU A 73 42.879 15.151 -4.651 1.00 16.33 O ATOM 674 CB LEU A 73 42.752 12.328 -5.606 1.00 16.54 C ATOM 675 CG LEU A 73 43.846 12.135 -6.680 1.00 19.81 C ATOM 676 CD1 LEU A 73 44.737 10.951 -6.355 1.00 19.97 C ATOM 677 CD2 LEU A 73 43.177 11.911 -8.010 1.00 17.25 C ATOM 678 H LEU A 73 41.205 13.433 -3.660 1.00 20.00 H ATOM 679 N LYS A 74 44.944 14.507 -4.052 1.00 18.46 N ATOM 680 CA LYS A 74 45.509 15.841 -4.205 1.00 21.24 C ATOM 681 C LYS A 74 46.557 15.747 -5.321 1.00 20.16 C ATOM 682 O LYS A 74 47.283 14.753 -5.448 1.00 15.72 O ATOM 683 CB LYS A 74 46.155 16.284 -2.907 1.00 23.35 C ATOM 684 CG LYS A 74 46.435 17.788 -2.961 1.00 32.39 C ATOM 685 CD LYS A 74 47.103 18.382 -1.724 1.00 36.22 C ATOM 686 CE LYS A 74 48.414 17.632 -1.468 1.00 43.62 C ATOM 687 NZ LYS A 74 49.353 18.358 -0.626 1.00 46.47 N ATOM 688 H LYS A 74 45.572 13.774 -3.906 1.00 20.00 H ATOM 689 HZ1 LYS A 74 49.585 19.266 -1.076 1.00 20.00 H ATOM 690 HZ2 LYS A 74 48.917 18.524 0.301 1.00 20.00 H ATOM 691 HZ3 LYS A 74 50.219 17.793 -0.516 1.00 20.00 H ATOM 692 N ILE A 75 46.615 16.753 -6.192 1.00 21.74 N ATOM 693 CA ILE A 75 47.587 16.777 -7.284 1.00 21.75 C ATOM 694 C ILE A 75 48.331 18.073 -7.058 1.00 20.37 C ATOM 695 O ILE A 75 47.741 19.156 -7.133 1.00 20.19 O ATOM 696 CB ILE A 75 46.924 16.816 -8.684 1.00 21.33 C ATOM 697 CG1 ILE A 75 45.858 15.729 -8.844 1.00 21.60 C ATOM 698 CG2 ILE A 75 48.024 16.572 -9.723 1.00 23.20 C ATOM 699 CD1 ILE A 75 44.995 15.877 -10.092 1.00 21.63 C ATOM 700 H ILE A 75 46.054 17.543 -6.067 1.00 20.00 H ATOM 701 N ASN A 76 49.595 17.940 -6.709 1.00 19.47 N ATOM 702 CA ASN A 76 50.425 19.092 -6.461 1.00 27.44 C ATOM 703 C ASN A 76 51.153 19.528 -7.700 1.00 27.44 C ATOM 704 O ASN A 76 51.701 18.660 -8.374 1.00 27.99 O ATOM 705 CB ASN A 76 51.458 18.804 -5.435 1.00 32.79 C ATOM 706 CG ASN A 76 50.820 18.815 -4.073 1.00 40.51 C ATOM 707 OD1 ASN A 76 50.803 17.786 -3.414 1.00 43.74 O ATOM 708 ND2 ASN A 76 50.267 19.921 -3.589 1.00 43.21 N ATOM 709 H ASN A 76 50.001 17.046 -6.688 1.00 20.00 H ATOM 710 HD21 ASN A 76 49.863 19.889 -2.703 1.00 0.00 H ATOM 711 HD22 ASN A 76 50.301 20.729 -4.146 1.00 0.00 H ATOM 712 N SER A 77 51.154 20.826 -8.011 1.00 27.81 N ATOM 713 CA SER A 77 51.884 21.367 -9.158 1.00 28.36 C ATOM 714 C SER A 77 51.572 20.605 -10.448 1.00 25.09 C ATOM 715 O SER A 77 52.413 19.996 -11.122 1.00 25.03 O ATOM 716 CB SER A 77 53.382 21.326 -8.869 1.00 27.15 C ATOM 717 OG SER A 77 53.645 22.025 -7.659 1.00 37.30 O ATOM 718 H SER A 77 50.594 21.430 -7.483 1.00 20.00 H ATOM 719 HG SER A 77 53.115 22.830 -7.598 1.00 20.00 H ATOM 720 N LEU A 78 50.293 20.670 -10.795 1.00 23.18 N ATOM 721 CA LEU A 78 49.834 19.923 -11.925 1.00 22.72 C ATOM 722 C LEU A 78 50.463 20.368 -13.250 1.00 20.40 C ATOM 723 O LEU A 78 50.844 21.513 -13.487 1.00 18.88 O ATOM 724 CB LEU A 78 48.314 20.002 -11.847 1.00 25.33 C ATOM 725 CG LEU A 78 47.543 21.205 -12.247 1.00 27.01 C ATOM 726 CD1 LEU A 78 47.161 21.058 -13.696 1.00 29.81 C ATOM 727 CD2 LEU A 78 46.261 21.284 -11.481 1.00 27.55 C ATOM 728 H LEU A 78 49.662 21.167 -10.230 1.00 20.00 H ATOM 729 N GLN A 79 50.597 19.388 -14.112 1.00 20.86 N ATOM 730 CA GLN A 79 51.378 19.454 -15.334 1.00 19.89 C ATOM 731 C GLN A 79 50.440 19.310 -16.511 1.00 20.91 C ATOM 732 O GLN A 79 49.352 18.762 -16.277 1.00 18.92 O ATOM 733 CB GLN A 79 52.394 18.317 -15.313 1.00 22.63 C ATOM 734 CG GLN A 79 53.506 18.589 -14.317 1.00 29.11 C ATOM 735 CD GLN A 79 54.229 19.911 -14.586 1.00 34.41 C ATOM 736 OE1 GLN A 79 54.900 20.069 -15.610 1.00 37.29 O ATOM 737 NE2 GLN A 79 54.133 20.889 -13.687 1.00 35.28 N ATOM 738 H GLN A 79 50.003 18.621 -14.003 1.00 20.00 H ATOM 739 HE21 GLN A 79 54.518 21.758 -13.929 1.00 0.00 H ATOM 740 HE22 GLN A 79 53.661 20.693 -12.841 1.00 0.00 H ATOM 741 N PRO A 80 50.792 19.697 -17.765 1.00 20.67 N ATOM 742 CA PRO A 80 49.943 19.572 -18.947 1.00 18.68 C ATOM 743 C PRO A 80 49.290 18.219 -19.126 1.00 16.92 C ATOM 744 O PRO A 80 48.126 18.131 -19.481 1.00 20.10 O ATOM 745 CB PRO A 80 50.854 19.917 -20.097 1.00 17.94 C ATOM 746 CG PRO A 80 51.757 20.933 -19.465 1.00 17.04 C ATOM 747 CD PRO A 80 52.081 20.288 -18.130 1.00 17.88 C ATOM 748 N GLU A 81 49.961 17.114 -18.861 1.00 21.16 N ATOM 749 CA GLU A 81 49.359 15.798 -19.031 1.00 22.72 C ATOM 750 C GLU A 81 48.428 15.364 -17.904 1.00 21.74 C ATOM 751 O GLU A 81 47.943 14.241 -17.937 1.00 19.48 O ATOM 752 CB GLU A 81 50.459 14.744 -19.214 1.00 24.49 C ATOM 753 CG GLU A 81 51.320 14.418 -18.009 1.00 30.75 C ATOM 754 CD GLU A 81 52.656 15.144 -17.931 1.00 37.51 C ATOM 755 OE1 GLU A 81 52.737 16.329 -18.265 1.00 38.55 O ATOM 756 OE2 GLU A 81 53.636 14.511 -17.529 1.00 40.74 O ATOM 757 H GLU A 81 50.909 17.180 -18.625 1.00 20.00 H ATOM 758 N ASP A 82 48.178 16.180 -16.881 1.00 21.43 N ATOM 759 CA ASP A 82 47.238 15.798 -15.832 1.00 19.90 C ATOM 760 C ASP A 82 45.808 16.176 -16.173 1.00 19.64 C ATOM 761 O ASP A 82 44.875 15.738 -15.490 1.00 21.79 O ATOM 762 CB ASP A 82 47.605 16.449 -14.482 1.00 18.78 C ATOM 763 CG ASP A 82 48.958 16.022 -13.960 1.00 18.75 C ATOM 764 OD1 ASP A 82 49.454 14.958 -14.341 1.00 20.67 O ATOM 765 OD2 ASP A 82 49.525 16.762 -13.168 1.00 17.23 O ATOM 766 H ASP A 82 48.611 17.054 -16.825 1.00 20.00 H ATOM 767 N PHE A 83 45.545 16.975 -17.210 1.00 19.99 N ATOM 768 CA PHE A 83 44.168 17.306 -17.517 1.00 22.58 C ATOM 769 C PHE A 83 43.470 16.061 -18.086 1.00 23.64 C ATOM 770 O PHE A 83 44.066 15.294 -18.858 1.00 23.92 O ATOM 771 CB PHE A 83 44.187 18.479 -18.486 1.00 21.64 C ATOM 772 CG PHE A 83 44.786 19.736 -17.851 1.00 24.98 C ATOM 773 CD1 PHE A 83 44.014 20.547 -17.046 1.00 25.65 C ATOM 774 CD2 PHE A 83 46.106 20.076 -18.074 1.00 24.85 C ATOM 775 CE1 PHE A 83 44.558 21.681 -16.481 1.00 26.02 C ATOM 776 CE2 PHE A 83 46.643 21.202 -17.506 1.00 25.75 C ATOM 777 CZ PHE A 83 45.869 22.008 -16.712 1.00 26.79 C ATOM 778 H PHE A 83 46.251 17.232 -17.829 1.00 20.00 H ATOM 779 N GLY A 84 42.226 15.830 -17.660 1.00 18.74 N ATOM 780 CA GLY A 84 41.434 14.678 -18.044 1.00 17.98 C ATOM 781 C GLY A 84 40.392 14.435 -16.950 1.00 20.72 C ATOM 782 O GLY A 84 40.108 15.344 -16.148 1.00 18.19 O ATOM 783 H GLY A 84 41.831 16.415 -16.982 1.00 20.00 H ATOM 784 N SER A 85 39.752 13.275 -16.923 1.00 19.26 N ATOM 785 CA SER A 85 38.772 12.941 -15.907 1.00 16.22 C ATOM 786 C SER A 85 39.395 11.998 -14.912 1.00 16.49 C ATOM 787 O SER A 85 40.375 11.281 -15.167 1.00 15.27 O ATOM 788 CB SER A 85 37.589 12.270 -16.504 1.00 16.67 C ATOM 789 OG SER A 85 37.015 13.093 -17.485 1.00 22.39 O ATOM 790 H SER A 85 39.971 12.602 -17.607 1.00 20.00 H ATOM 791 HG SER A 85 36.269 12.571 -17.815 1.00 20.00 H ATOM 792 N TYR A 86 38.843 12.045 -13.729 1.00 13.67 N ATOM 793 CA TYR A 86 39.315 11.279 -12.597 1.00 13.85 C ATOM 794 C TYR A 86 38.079 10.637 -11.949 1.00 15.29 C ATOM 795 O TYR A 86 36.997 11.262 -11.875 1.00 11.89 O ATOM 796 CB TYR A 86 40.017 12.201 -11.586 1.00 16.31 C ATOM 797 CG TYR A 86 41.354 12.735 -12.087 1.00 14.93 C ATOM 798 CD1 TYR A 86 41.430 13.890 -12.867 1.00 15.53 C ATOM 799 CD2 TYR A 86 42.486 12.008 -11.780 1.00 15.95 C ATOM 800 CE1 TYR A 86 42.659 14.320 -13.360 1.00 16.19 C ATOM 801 CE2 TYR A 86 43.709 12.432 -12.258 1.00 16.73 C ATOM 802 CZ TYR A 86 43.784 13.571 -13.041 1.00 17.54 C ATOM 803 OH TYR A 86 45.033 13.928 -13.493 1.00 18.46 O ATOM 804 H TYR A 86 38.103 12.666 -13.569 1.00 20.00 H ATOM 805 HH TYR A 86 44.905 14.622 -14.136 1.00 20.00 H ATOM 806 N TYR A 87 38.239 9.397 -11.508 1.00 13.15 N ATOM 807 CA TYR A 87 37.171 8.582 -10.940 1.00 15.32 C ATOM 808 C TYR A 87 37.646 7.865 -9.689 1.00 15.89 C ATOM 809 O TYR A 87 38.809 7.426 -9.670 1.00 15.83 O ATOM 810 CB TYR A 87 36.684 7.505 -11.918 1.00 12.36 C ATOM 811 CG TYR A 87 36.002 8.081 -13.131 1.00 14.56 C ATOM 812 CD1 TYR A 87 34.654 8.376 -13.060 1.00 14.48 C ATOM 813 CD2 TYR A 87 36.744 8.332 -14.277 1.00 15.31 C ATOM 814 CE1 TYR A 87 34.026 8.947 -14.146 1.00 16.60 C ATOM 815 CE2 TYR A 87 36.125 8.912 -15.369 1.00 17.03 C ATOM 816 CZ TYR A 87 34.768 9.214 -15.294 1.00 18.15 C ATOM 817 OH TYR A 87 34.134 9.799 -16.370 1.00 19.98 O ATOM 818 H TYR A 87 39.133 8.996 -11.522 1.00 20.00 H ATOM 819 HH TYR A 87 34.767 9.893 -17.092 1.00 20.00 H ATOM 820 N CYS A 88 36.802 7.700 -8.669 1.00 13.37 N ATOM 821 CA CYS A 88 37.168 6.888 -7.524 1.00 13.51 C ATOM 822 C CYS A 88 36.285 5.661 -7.609 1.00 10.82 C ATOM 823 O CYS A 88 35.213 5.682 -8.221 1.00 10.64 O ATOM 824 CB CYS A 88 36.918 7.556 -6.150 1.00 15.02 C ATOM 825 SG CYS A 88 35.177 8.040 -5.867 1.00 16.79 S ATOM 826 H CYS A 88 35.851 7.856 -8.841 1.00 20.00 H ATOM 827 N GLN A 89 36.770 4.575 -7.037 1.00 13.34 N ATOM 828 CA GLN A 89 36.045 3.315 -7.018 1.00 12.37 C ATOM 829 C GLN A 89 36.289 2.622 -5.655 1.00 12.55 C ATOM 830 O GLN A 89 37.449 2.588 -5.198 1.00 13.10 O ATOM 831 CB GLN A 89 36.536 2.370 -8.126 1.00 12.68 C ATOM 832 CG GLN A 89 35.683 1.098 -8.212 1.00 12.35 C ATOM 833 CD GLN A 89 36.367 -0.029 -8.966 1.00 18.13 C ATOM 834 OE1 GLN A 89 37.463 0.119 -9.507 1.00 17.40 O ATOM 835 NE2 GLN A 89 35.739 -1.199 -9.049 1.00 19.40 N ATOM 836 H GLN A 89 37.654 4.618 -6.595 1.00 20.00 H ATOM 837 HE21 GLN A 89 36.210 -1.978 -9.427 1.00 0.00 H ATOM 838 HE22 GLN A 89 34.828 -1.244 -8.676 1.00 0.00 H ATOM 839 N HIS A 90 35.277 1.987 -5.024 1.00 9.66 N ATOM 840 CA HIS A 90 35.541 1.301 -3.759 1.00 10.36 C ATOM 841 C HIS A 90 35.625 -0.207 -4.036 1.00 11.31 C ATOM 842 O HIS A 90 34.995 -0.702 -4.987 1.00 11.36 O ATOM 843 CB HIS A 90 34.416 1.589 -2.688 1.00 10.10 C ATOM 844 CG HIS A 90 33.073 0.850 -2.790 1.00 12.67 C ATOM 845 ND1 HIS A 90 31.914 1.179 -3.383 1.00 14.26 N ATOM 846 CD2 HIS A 90 32.886 -0.423 -2.272 1.00 9.23 C ATOM 847 CE1 HIS A 90 31.078 0.174 -3.247 1.00 11.68 C ATOM 848 NE2 HIS A 90 31.669 -0.785 -2.581 1.00 15.43 N ATOM 849 H HIS A 90 34.417 1.903 -5.485 1.00 20.00 H ATOM 850 HD1 HIS A 90 31.666 1.968 -3.918 1.00 20.00 H ATOM 851 HE2 HIS A 90 31.232 -1.643 -2.353 1.00 20.00 H ATOM 852 N PHE A 91 36.284 -0.951 -3.143 1.00 9.91 N ATOM 853 CA PHE A 91 36.400 -2.398 -3.250 1.00 12.51 C ATOM 854 C PHE A 91 36.005 -3.111 -1.936 1.00 14.83 C ATOM 855 O PHE A 91 36.598 -4.132 -1.560 1.00 10.52 O ATOM 856 CB PHE A 91 37.854 -2.755 -3.627 1.00 13.75 C ATOM 857 CG PHE A 91 38.199 -2.498 -5.090 1.00 14.48 C ATOM 858 CD1 PHE A 91 38.637 -1.255 -5.522 1.00 14.79 C ATOM 859 CD2 PHE A 91 38.115 -3.541 -5.984 1.00 14.07 C ATOM 860 CE1 PHE A 91 38.982 -1.064 -6.850 1.00 16.35 C ATOM 861 CE2 PHE A 91 38.460 -3.346 -7.303 1.00 15.81 C ATOM 862 CZ PHE A 91 38.898 -2.116 -7.746 1.00 14.87 C ATOM 863 H PHE A 91 36.802 -0.499 -2.435 1.00 20.00 H ATOM 864 N TRP A 92 34.975 -2.625 -1.231 1.00 12.83 N ATOM 865 CA TRP A 92 34.588 -3.248 0.032 1.00 13.64 C ATOM 866 C TRP A 92 33.392 -4.122 -0.328 1.00 12.38 C ATOM 867 O TRP A 92 32.313 -3.612 -0.661 1.00 12.61 O ATOM 868 CB TRP A 92 34.196 -2.197 1.072 1.00 14.42 C ATOM 869 CG TRP A 92 33.865 -2.861 2.409 1.00 15.78 C ATOM 870 CD1 TRP A 92 32.575 -2.895 2.876 1.00 16.68 C ATOM 871 CD2 TRP A 92 34.753 -3.495 3.256 1.00 15.65 C ATOM 872 NE1 TRP A 92 32.639 -3.548 4.017 1.00 16.81 N ATOM 873 CE2 TRP A 92 33.902 -3.920 4.276 1.00 16.56 C ATOM 874 CE3 TRP A 92 36.112 -3.766 3.319 1.00 14.23 C ATOM 875 CZ2 TRP A 92 34.397 -4.616 5.367 1.00 13.14 C ATOM 876 CZ3 TRP A 92 36.604 -4.459 4.408 1.00 16.62 C ATOM 877 CH2 TRP A 92 35.762 -4.884 5.428 1.00 14.42 C ATOM 878 H TRP A 92 34.312 -2.094 -1.696 1.00 20.00 H ATOM 879 HE1 TRP A 92 31.884 -3.682 4.628 1.00 20.00 H ATOM 880 N SER A 93 33.613 -5.441 -0.246 1.00 11.08 N ATOM 881 CA SER A 93 32.671 -6.448 -0.662 1.00 12.18 C ATOM 882 C SER A 93 32.116 -6.174 -2.056 1.00 12.93 C ATOM 883 O SER A 93 32.818 -5.561 -2.881 1.00 17.00 O ATOM 884 CB SER A 93 31.596 -6.502 0.427 1.00 14.32 C ATOM 885 OG SER A 93 30.814 -7.660 0.237 1.00 17.58 O ATOM 886 H SER A 93 34.432 -5.761 0.200 1.00 20.00 H ATOM 887 HG SER A 93 31.332 -8.378 -0.163 1.00 20.00 H ATOM 888 N THR A 94 30.898 -6.583 -2.384 1.00 12.42 N ATOM 889 CA THR A 94 30.324 -6.341 -3.696 1.00 17.88 C ATOM 890 C THR A 94 28.883 -5.856 -3.505 1.00 18.49 C ATOM 891 O THR A 94 28.318 -6.113 -2.442 1.00 16.85 O ATOM 892 CB THR A 94 30.345 -7.628 -4.610 1.00 18.13 C ATOM 893 OG1 THR A 94 29.720 -8.697 -3.904 1.00 24.31 O ATOM 894 CG2 THR A 94 31.765 -8.021 -5.027 1.00 20.85 C ATOM 895 H THR A 94 30.274 -6.879 -1.696 1.00 20.00 H ATOM 896 HG1 THR A 94 30.326 -8.991 -3.190 1.00 20.00 H ATOM 897 N PRO A 95 28.206 -5.134 -4.404 1.00 19.73 N ATOM 898 CA PRO A 95 28.733 -4.610 -5.654 1.00 17.60 C ATOM 899 C PRO A 95 29.727 -3.487 -5.464 1.00 17.28 C ATOM 900 O PRO A 95 29.634 -2.740 -4.485 1.00 17.88 O ATOM 901 CB PRO A 95 27.508 -4.183 -6.397 1.00 20.09 C ATOM 902 CG PRO A 95 26.656 -3.650 -5.267 1.00 19.84 C ATOM 903 CD PRO A 95 26.838 -4.663 -4.175 1.00 17.93 C ATOM 904 N ARG A 96 30.705 -3.377 -6.370 1.00 16.51 N ATOM 905 CA ARG A 96 31.615 -2.235 -6.369 1.00 15.60 C ATOM 906 C ARG A 96 30.924 -1.065 -7.064 1.00 14.38 C ATOM 907 O ARG A 96 30.040 -1.298 -7.887 1.00 12.49 O ATOM 908 CB ARG A 96 32.892 -2.535 -7.123 1.00 13.13 C ATOM 909 CG ARG A 96 33.863 -3.383 -6.337 1.00 14.12 C ATOM 910 CD ARG A 96 33.463 -4.858 -6.281 1.00 15.02 C ATOM 911 NE ARG A 96 34.500 -5.631 -5.616 1.00 14.62 N ATOM 912 CZ ARG A 96 35.581 -6.057 -6.297 1.00 13.40 C ATOM 913 NH1 ARG A 96 35.796 -5.711 -7.573 1.00 12.29 N ATOM 914 NH2 ARG A 96 36.507 -6.761 -5.663 1.00 11.80 N ATOM 915 H ARG A 96 30.783 -4.033 -7.090 1.00 20.00 H ATOM 916 HE ARG A 96 34.444 -5.791 -4.649 1.00 20.00 H ATOM 917 HH11 ARG A 96 35.208 -5.016 -7.993 1.00 0.00 H ATOM 918 HH12 ARG A 96 36.568 -6.079 -8.080 1.00 0.00 H ATOM 919 HH21 ARG A 96 36.417 -6.983 -4.696 1.00 0.00 H ATOM 920 HH22 ARG A 96 37.315 -7.056 -6.160 1.00 0.00 H ATOM 921 N THR A 97 31.205 0.194 -6.726 1.00 13.54 N ATOM 922 CA THR A 97 30.623 1.324 -7.439 1.00 14.54 C ATOM 923 C THR A 97 31.735 2.341 -7.674 1.00 11.63 C ATOM 924 O THR A 97 32.801 2.238 -7.053 1.00 12.31 O ATOM 925 CB THR A 97 29.462 2.028 -6.641 1.00 12.67 C ATOM 926 OG1 THR A 97 29.994 2.482 -5.392 1.00 14.77 O ATOM 927 CG2 THR A 97 28.285 1.101 -6.420 1.00 13.14 C ATOM 928 H THR A 97 31.840 0.406 -6.025 1.00 20.00 H ATOM 929 HG1 THR A 97 29.245 2.900 -4.923 1.00 20.00 H ATOM 930 N PHE A 98 31.452 3.293 -8.569 1.00 12.86 N ATOM 931 CA PHE A 98 32.344 4.385 -8.926 1.00 14.05 C ATOM 932 C PHE A 98 31.744 5.710 -8.486 1.00 13.23 C ATOM 933 O PHE A 98 30.514 5.869 -8.472 1.00 14.20 O ATOM 934 CB PHE A 98 32.544 4.479 -10.455 1.00 12.75 C ATOM 935 CG PHE A 98 33.402 3.376 -11.039 1.00 13.11 C ATOM 936 CD1 PHE A 98 32.801 2.209 -11.465 1.00 13.40 C ATOM 937 CD2 PHE A 98 34.767 3.552 -11.133 1.00 12.68 C ATOM 938 CE1 PHE A 98 33.572 1.198 -11.999 1.00 13.55 C ATOM 939 CE2 PHE A 98 35.530 2.534 -11.668 1.00 13.43 C ATOM 940 CZ PHE A 98 34.936 1.363 -12.095 1.00 11.05 C ATOM 941 H PHE A 98 30.583 3.279 -9.031 1.00 20.00 H ATOM 942 N GLY A 99 32.617 6.680 -8.270 1.00 11.97 N ATOM 943 CA GLY A 99 32.220 8.052 -8.032 1.00 14.20 C ATOM 944 C GLY A 99 31.755 8.626 -9.372 1.00 15.53 C ATOM 945 O GLY A 99 32.049 8.040 -10.426 1.00 16.17 O ATOM 946 H GLY A 99 33.558 6.497 -8.454 1.00 20.00 H ATOM 947 N GLY A 100 31.072 9.772 -9.401 1.00 12.64 N ATOM 948 CA GLY A 100 30.534 10.320 -10.627 1.00 14.54 C ATOM 949 C GLY A 100 31.594 10.965 -11.546 1.00 14.22 C ATOM 950 O GLY A 100 31.238 11.338 -12.674 1.00 16.64 O ATOM 951 H GLY A 100 31.008 10.319 -8.594 1.00 20.00 H ATOM 952 N GLY A 101 32.862 11.154 -11.151 1.00 11.09 N ATOM 953 CA GLY A 101 33.832 11.728 -12.066 1.00 13.32 C ATOM 954 C GLY A 101 34.061 13.214 -11.843 1.00 16.33 C ATOM 955 O GLY A 101 33.152 13.961 -11.457 1.00 18.02 O ATOM 956 H GLY A 101 33.131 10.993 -10.221 1.00 20.00 H ATOM 957 N THR A 102 35.295 13.661 -12.055 1.00 15.14 N ATOM 958 CA THR A 102 35.661 15.059 -11.990 1.00 15.77 C ATOM 959 C THR A 102 36.431 15.346 -13.277 1.00 17.86 C ATOM 960 O THR A 102 37.411 14.642 -13.590 1.00 16.53 O ATOM 961 CB THR A 102 36.585 15.375 -10.769 1.00 15.65 C ATOM 962 OG1 THR A 102 35.897 15.031 -9.572 1.00 17.73 O ATOM 963 CG2 THR A 102 37.013 16.861 -10.746 1.00 12.05 C ATOM 964 H THR A 102 35.993 13.027 -12.314 1.00 20.00 H ATOM 965 HG1 THR A 102 35.095 15.577 -9.543 1.00 20.00 H ATOM 966 N LYS A 103 35.983 16.348 -14.033 1.00 15.05 N ATOM 967 CA LYS A 103 36.712 16.808 -15.200 1.00 17.67 C ATOM 968 C LYS A 103 37.676 17.916 -14.797 1.00 18.11 C ATOM 969 O LYS A 103 37.264 18.985 -14.328 1.00 19.17 O ATOM 970 CB LYS A 103 35.781 17.381 -16.239 1.00 23.74 C ATOM 971 CG LYS A 103 34.594 16.498 -16.574 1.00 35.11 C ATOM 972 CD LYS A 103 33.734 17.185 -17.630 1.00 43.63 C ATOM 973 CE LYS A 103 32.465 16.364 -17.930 1.00 50.04 C ATOM 974 NZ LYS A 103 32.730 15.086 -18.594 1.00 54.90 N ATOM 975 H LYS A 103 35.141 16.794 -13.800 1.00 20.00 H ATOM 976 HZ1 LYS A 103 33.433 14.549 -18.046 1.00 20.00 H ATOM 977 HZ2 LYS A 103 31.840 14.546 -18.634 1.00 20.00 H ATOM 978 HZ3 LYS A 103 33.084 15.233 -19.562 1.00 20.00 H ATOM 979 N LEU A 104 38.969 17.700 -14.956 1.00 18.81 N ATOM 980 CA LEU A 104 39.987 18.692 -14.654 1.00 21.20 C ATOM 981 C LEU A 104 40.321 19.338 -15.987 1.00 21.52 C ATOM 982 O LEU A 104 40.765 18.665 -16.924 1.00 20.73 O ATOM 983 CB LEU A 104 41.216 18.001 -14.023 1.00 21.47 C ATOM 984 CG LEU A 104 42.472 18.827 -13.690 1.00 22.14 C ATOM 985 CD1 LEU A 104 42.171 20.020 -12.795 1.00 24.05 C ATOM 986 CD2 LEU A 104 43.417 17.950 -12.925 1.00 23.03 C ATOM 987 H LEU A 104 39.264 16.861 -15.360 1.00 20.00 H ATOM 988 N GLU A 105 40.073 20.632 -16.115 1.00 23.76 N ATOM 989 CA GLU A 105 40.314 21.316 -17.366 1.00 28.52 C ATOM 990 C GLU A 105 41.145 22.586 -17.201 1.00 29.32 C ATOM 991 O GLU A 105 41.299 23.132 -16.094 1.00 23.45 O ATOM 992 CB GLU A 105 38.976 21.596 -18.000 1.00 33.79 C ATOM 993 CG GLU A 105 37.972 22.269 -17.105 1.00 43.61 C ATOM 994 CD GLU A 105 36.572 21.987 -17.603 1.00 49.17 C ATOM 995 OE1 GLU A 105 36.177 22.626 -18.578 1.00 52.67 O ATOM 996 OE2 GLU A 105 35.898 21.127 -17.028 1.00 51.89 O ATOM 997 H GLU A 105 39.839 21.169 -15.325 1.00 30.00 H ATOM 998 N ILE A 106 41.788 22.926 -18.324 1.00 31.21 N ATOM 999 CA ILE A 106 42.714 24.050 -18.431 1.00 36.73 C ATOM 1000 C ILE A 106 42.032 25.398 -18.209 1.00 38.55 C ATOM 1001 O ILE A 106 40.877 25.627 -18.581 1.00 38.53 O ATOM 1002 CB ILE A 106 43.413 23.991 -19.841 1.00 38.78 C ATOM 1003 CG1 ILE A 106 44.106 22.646 -20.042 1.00 42.03 C ATOM 1004 CG2 ILE A 106 44.532 25.016 -19.931 1.00 39.10 C ATOM 1005 CD1 ILE A 106 44.427 22.195 -21.493 1.00 45.10 C ATOM 1006 H ILE A 106 41.605 22.396 -19.132 1.00 0.00 H ATOM 1007 N LYS A 107 42.735 26.204 -17.431 1.00 43.78 N ATOM 1008 CA LYS A 107 42.393 27.584 -17.197 1.00 47.51 C ATOM 1009 C LYS A 107 43.517 28.261 -18.000 1.00 50.30 C ATOM 1010 O LYS A 107 43.168 28.883 -19.005 1.00 50.86 O ATOM 1011 CB LYS A 107 42.508 27.932 -15.714 1.00 47.34 C ATOM 1012 CG LYS A 107 42.190 29.384 -15.448 1.00 50.47 C ATOM 1013 CD LYS A 107 42.848 29.875 -14.174 1.00 54.12 C ATOM 1014 CE LYS A 107 42.091 29.419 -12.942 1.00 56.15 C ATOM 1015 NZ LYS A 107 42.816 29.846 -11.760 1.00 59.01 N ATOM 1016 OXT LYS A 107 44.715 28.109 -17.658 1.00 51.00 O ATOM 1017 H LYS A 107 43.602 25.914 -17.082 1.00 0.00 H ATOM 1018 HZ1 LYS A 107 42.934 30.882 -11.783 1.00 0.00 H ATOM 1019 HZ2 LYS A 107 42.289 29.574 -10.902 1.00 0.00 H ATOM 1020 HZ3 LYS A 107 43.754 29.390 -11.746 1.00 0.00 H TER 1021 LYS A 107 ATOM 1022 N GLN B 1 53.626 -9.527 -20.890 1.00 47.05 N ATOM 1023 CA GLN B 1 53.065 -8.221 -21.175 1.00 45.24 C ATOM 1024 C GLN B 1 51.591 -8.519 -20.891 1.00 40.44 C ATOM 1025 O GLN B 1 51.089 -9.519 -21.415 1.00 39.85 O ATOM 1026 CB GLN B 1 53.350 -7.855 -22.663 1.00 52.20 C ATOM 1027 CG GLN B 1 52.676 -8.630 -23.848 1.00 61.79 C ATOM 1028 CD GLN B 1 52.713 -10.160 -23.726 1.00 66.73 C ATOM 1029 OE1 GLN B 1 53.667 -10.694 -23.137 1.00 69.55 O ATOM 1030 NE2 GLN B 1 51.676 -10.926 -24.065 1.00 67.03 N ATOM 1031 H1 GLN B 1 53.092 -10.197 -21.491 1.00 20.00 H ATOM 1032 H2 GLN B 1 54.629 -9.655 -21.094 1.00 20.00 H ATOM 1033 H3 GLN B 1 53.385 -9.812 -19.917 1.00 20.00 H ATOM 1034 HE21 GLN B 1 51.822 -11.902 -24.048 1.00 0.00 H ATOM 1035 HE22 GLN B 1 50.827 -10.505 -24.333 1.00 0.00 H ATOM 1036 N VAL B 2 50.892 -7.801 -20.014 1.00 33.03 N ATOM 1037 CA VAL B 2 49.512 -8.162 -19.753 1.00 28.63 C ATOM 1038 C VAL B 2 48.676 -7.418 -20.809 1.00 27.33 C ATOM 1039 O VAL B 2 48.876 -6.214 -21.018 1.00 26.78 O ATOM 1040 CB VAL B 2 49.208 -7.756 -18.277 1.00 28.72 C ATOM 1041 CG1 VAL B 2 47.724 -7.911 -17.942 1.00 26.95 C ATOM 1042 CG2 VAL B 2 49.970 -8.678 -17.338 1.00 26.19 C ATOM 1043 H VAL B 2 51.198 -6.925 -19.703 1.00 20.00 H ATOM 1044 N GLN B 3 47.819 -8.120 -21.544 1.00 25.75 N ATOM 1045 CA GLN B 3 46.939 -7.547 -22.557 1.00 27.20 C ATOM 1046 C GLN B 3 45.503 -8.016 -22.338 1.00 21.72 C ATOM 1047 O GLN B 3 45.288 -9.201 -22.058 1.00 19.43 O ATOM 1048 CB GLN B 3 47.252 -7.999 -23.988 1.00 33.15 C ATOM 1049 CG GLN B 3 48.657 -7.857 -24.531 1.00 42.38 C ATOM 1050 CD GLN B 3 49.030 -6.405 -24.733 1.00 47.78 C ATOM 1051 OE1 GLN B 3 50.093 -5.961 -24.294 1.00 51.19 O ATOM 1052 NE2 GLN B 3 48.173 -5.625 -25.397 1.00 49.54 N ATOM 1053 H GLN B 3 47.773 -9.089 -21.404 1.00 20.00 H ATOM 1054 HE21 GLN B 3 48.398 -4.675 -25.477 1.00 0.00 H ATOM 1055 HE22 GLN B 3 47.353 -6.024 -25.746 1.00 0.00 H ATOM 1056 N LEU B 4 44.503 -7.140 -22.451 1.00 18.99 N ATOM 1057 CA LEU B 4 43.110 -7.544 -22.475 1.00 17.92 C ATOM 1058 C LEU B 4 42.532 -6.837 -23.691 1.00 18.96 C ATOM 1059 O LEU B 4 42.797 -5.648 -23.945 1.00 16.01 O ATOM 1060 CB LEU B 4 42.339 -7.090 -21.241 1.00 17.45 C ATOM 1061 CG LEU B 4 42.780 -7.640 -19.889 1.00 18.46 C ATOM 1062 CD1 LEU B 4 43.783 -6.658 -19.300 1.00 18.71 C ATOM 1063 CD2 LEU B 4 41.580 -7.822 -18.942 1.00 18.87 C ATOM 1064 H LEU B 4 44.713 -6.176 -22.511 1.00 20.00 H ATOM 1065 N GLN B 5 41.743 -7.592 -24.477 1.00 19.13 N ATOM 1066 CA GLN B 5 41.132 -7.117 -25.706 1.00 20.33 C ATOM 1067 C GLN B 5 39.691 -7.606 -25.840 1.00 19.91 C ATOM 1068 O GLN B 5 39.417 -8.815 -25.871 1.00 18.86 O ATOM 1069 CB GLN B 5 41.879 -7.622 -26.932 1.00 25.21 C ATOM 1070 CG GLN B 5 43.369 -7.337 -27.069 1.00 33.29 C ATOM 1071 CD GLN B 5 43.992 -8.075 -28.256 1.00 39.12 C ATOM 1072 OE1 GLN B 5 44.410 -9.238 -28.170 1.00 39.39 O ATOM 1073 NE2 GLN B 5 44.055 -7.420 -29.414 1.00 40.55 N ATOM 1074 H GLN B 5 41.594 -8.529 -24.221 1.00 20.00 H ATOM 1075 HE21 GLN B 5 44.488 -7.876 -30.166 1.00 0.00 H ATOM 1076 HE22 GLN B 5 43.709 -6.502 -29.453 1.00 0.00 H ATOM 1077 N GLU B 6 38.765 -6.661 -25.977 1.00 19.92 N ATOM 1078 CA GLU B 6 37.349 -6.939 -26.075 1.00 18.54 C ATOM 1079 C GLU B 6 36.942 -7.092 -27.540 1.00 24.58 C ATOM 1080 O GLU B 6 37.585 -6.486 -28.407 1.00 24.25 O ATOM 1081 CB GLU B 6 36.537 -5.801 -25.454 1.00 18.74 C ATOM 1082 CG GLU B 6 36.816 -5.467 -23.980 1.00 16.98 C ATOM 1083 CD GLU B 6 37.952 -4.475 -23.746 1.00 18.77 C ATOM 1084 OE1 GLU B 6 38.670 -4.155 -24.698 1.00 19.74 O ATOM 1085 OE2 GLU B 6 38.137 -4.017 -22.621 1.00 15.55 O ATOM 1086 H GLU B 6 39.046 -5.742 -26.133 1.00 20.00 H ATOM 1087 N SER B 7 35.957 -7.917 -27.876 1.00 21.88 N ATOM 1088 CA SER B 7 35.436 -8.007 -29.223 1.00 25.12 C ATOM 1089 C SER B 7 33.958 -8.151 -29.015 1.00 24.40 C ATOM 1090 O SER B 7 33.534 -8.949 -28.176 1.00 23.02 O ATOM 1091 CB SER B 7 35.834 -9.243 -29.980 1.00 25.79 C ATOM 1092 OG SER B 7 37.237 -9.403 -29.964 1.00 34.35 O ATOM 1093 H SER B 7 35.548 -8.486 -27.188 1.00 20.00 H ATOM 1094 HG SER B 7 37.526 -9.607 -29.054 1.00 20.00 H ATOM 1095 N GLY B 8 33.164 -7.424 -29.773 1.00 24.27 N ATOM 1096 CA GLY B 8 31.733 -7.529 -29.656 1.00 29.83 C ATOM 1097 C GLY B 8 31.063 -7.193 -30.970 1.00 31.35 C ATOM 1098 O GLY B 8 31.726 -6.850 -31.950 1.00 30.61 O ATOM 1099 H GLY B 8 33.536 -6.801 -30.446 1.00 20.00 H ATOM 1100 N PRO B 9 29.739 -7.237 -31.001 1.00 34.08 N ATOM 1101 CA PRO B 9 28.944 -7.056 -32.203 1.00 34.93 C ATOM 1102 C PRO B 9 28.795 -5.617 -32.718 1.00 35.77 C ATOM 1103 O PRO B 9 28.381 -5.410 -33.866 1.00 38.03 O ATOM 1104 CB PRO B 9 27.643 -7.726 -31.801 1.00 36.49 C ATOM 1105 CG PRO B 9 27.476 -7.314 -30.361 1.00 35.68 C ATOM 1106 CD PRO B 9 28.893 -7.465 -29.823 1.00 34.74 C ATOM 1107 N GLY B 10 29.065 -4.574 -31.928 1.00 34.43 N ATOM 1108 CA GLY B 10 28.936 -3.210 -32.416 1.00 35.65 C ATOM 1109 C GLY B 10 27.511 -2.651 -32.393 1.00 36.17 C ATOM 1110 O GLY B 10 27.255 -1.579 -31.830 1.00 36.70 O ATOM 1111 H GLY B 10 29.362 -4.713 -31.004 1.00 20.00 H ATOM 1112 N LEU B 11 26.537 -3.320 -32.982 1.00 38.26 N ATOM 1113 CA LEU B 11 25.178 -2.825 -33.033 1.00 38.53 C ATOM 1114 C LEU B 11 24.292 -4.023 -32.758 1.00 37.80 C ATOM 1115 O LEU B 11 24.597 -5.134 -33.209 1.00 35.67 O ATOM 1116 CB LEU B 11 24.930 -2.247 -34.424 1.00 39.51 C ATOM 1117 CG LEU B 11 23.525 -1.829 -34.851 1.00 40.92 C ATOM 1118 CD1 LEU B 11 23.050 -0.608 -34.088 1.00 40.25 C ATOM 1119 CD2 LEU B 11 23.563 -1.495 -36.324 1.00 40.59 C ATOM 1120 H LEU B 11 26.700 -4.209 -33.367 1.00 20.00 H ATOM 1121 N VAL B 12 23.257 -3.839 -31.940 1.00 39.59 N ATOM 1122 CA VAL B 12 22.271 -4.881 -31.667 1.00 41.95 C ATOM 1123 C VAL B 12 20.872 -4.296 -31.475 1.00 43.34 C ATOM 1124 O VAL B 12 20.682 -3.147 -31.065 1.00 43.22 O ATOM 1125 CB VAL B 12 22.607 -5.713 -30.387 1.00 42.89 C ATOM 1126 CG1 VAL B 12 23.687 -6.740 -30.672 1.00 41.91 C ATOM 1127 CG2 VAL B 12 23.075 -4.783 -29.280 1.00 43.84 C ATOM 1128 H VAL B 12 23.139 -2.970 -31.495 1.00 20.00 H ATOM 1129 N ALA B 13 19.872 -5.077 -31.841 1.00 46.83 N ATOM 1130 CA ALA B 13 18.484 -4.722 -31.639 1.00 52.22 C ATOM 1131 C ALA B 13 18.092 -5.325 -30.300 1.00 56.28 C ATOM 1132 O ALA B 13 18.659 -6.360 -29.933 1.00 55.25 O ATOM 1133 CB ALA B 13 17.600 -5.341 -32.705 1.00 52.99 C ATOM 1134 H ALA B 13 20.072 -5.942 -32.241 1.00 20.00 H ATOM 1135 N PRO B 14 17.145 -4.771 -29.534 1.00 60.84 N ATOM 1136 CA PRO B 14 16.547 -5.369 -28.342 1.00 64.14 C ATOM 1137 C PRO B 14 16.153 -6.843 -28.395 1.00 66.81 C ATOM 1138 O PRO B 14 16.031 -7.505 -27.363 1.00 69.08 O ATOM 1139 CB PRO B 14 15.377 -4.453 -28.053 1.00 64.08 C ATOM 1140 CG PRO B 14 15.955 -3.097 -28.385 1.00 63.67 C ATOM 1141 CD PRO B 14 16.679 -3.397 -29.686 1.00 62.76 C ATOM 1142 N SER B 15 15.900 -7.359 -29.591 1.00 68.61 N ATOM 1143 CA SER B 15 15.580 -8.758 -29.785 1.00 69.42 C ATOM 1144 C SER B 15 16.791 -9.684 -29.700 1.00 67.74 C ATOM 1145 O SER B 15 16.649 -10.907 -29.758 1.00 66.97 O ATOM 1146 CB SER B 15 14.890 -8.847 -31.134 1.00 72.40 C ATOM 1147 OG SER B 15 13.829 -7.885 -31.153 1.00 75.68 O ATOM 1148 H SER B 15 15.823 -6.782 -30.376 1.00 20.00 H ATOM 1149 HG SER B 15 13.154 -8.277 -30.577 1.00 20.00 H ATOM 1150 N GLN B 16 18.010 -9.162 -29.593 1.00 66.91 N ATOM 1151 CA GLN B 16 19.181 -10.012 -29.483 1.00 65.84 C ATOM 1152 C GLN B 16 19.700 -9.964 -28.059 1.00 64.27 C ATOM 1153 O GLN B 16 19.323 -9.115 -27.244 1.00 64.24 O ATOM 1154 CB GLN B 16 20.291 -9.544 -30.391 1.00 67.07 C ATOM 1155 CG GLN B 16 20.019 -9.769 -31.852 1.00 68.31 C ATOM 1156 CD GLN B 16 20.501 -8.579 -32.657 1.00 69.64 C ATOM 1157 OE1 GLN B 16 19.742 -7.645 -32.895 1.00 69.73 O ATOM 1158 NE2 GLN B 16 21.757 -8.502 -33.067 1.00 69.99 N ATOM 1159 H GLN B 16 18.124 -8.198 -29.460 1.00 20.00 H ATOM 1160 HE21 GLN B 16 21.970 -7.802 -33.715 1.00 0.00 H ATOM 1161 HE22 GLN B 16 22.406 -9.164 -32.753 1.00 0.00 H ATOM 1162 N SER B 17 20.517 -10.967 -27.770 1.00 62.01 N ATOM 1163 CA SER B 17 21.264 -11.028 -26.539 1.00 60.96 C ATOM 1164 C SER B 17 22.661 -10.568 -26.930 1.00 58.87 C ATOM 1165 O SER B 17 23.133 -10.839 -28.036 1.00 62.15 O ATOM 1166 CB SER B 17 21.301 -12.454 -26.014 1.00 62.19 C ATOM 1167 OG SER B 17 19.995 -12.871 -25.624 1.00 65.40 O ATOM 1168 H SER B 17 20.685 -11.659 -28.436 1.00 20.00 H ATOM 1169 HG SER B 17 19.407 -12.735 -26.375 1.00 20.00 H ATOM 1170 N LEU B 18 23.321 -9.797 -26.094 1.00 54.59 N ATOM 1171 CA LEU B 18 24.672 -9.341 -26.316 1.00 47.06 C ATOM 1172 C LEU B 18 25.678 -10.351 -25.760 1.00 43.94 C ATOM 1173 O LEU B 18 25.498 -10.866 -24.649 1.00 41.36 O ATOM 1174 CB LEU B 18 24.798 -8.012 -25.618 1.00 46.52 C ATOM 1175 CG LEU B 18 26.165 -7.403 -25.507 1.00 46.76 C ATOM 1176 CD1 LEU B 18 26.587 -6.916 -26.876 1.00 47.89 C ATOM 1177 CD2 LEU B 18 26.150 -6.288 -24.479 1.00 48.16 C ATOM 1178 H LEU B 18 22.874 -9.528 -25.270 1.00 20.00 H ATOM 1179 N SER B 19 26.722 -10.677 -26.517 1.00 38.77 N ATOM 1180 CA SER B 19 27.820 -11.445 -25.983 1.00 34.30 C ATOM 1181 C SER B 19 29.073 -10.645 -26.333 1.00 30.03 C ATOM 1182 O SER B 19 29.217 -10.185 -27.471 1.00 30.32 O ATOM 1183 CB SER B 19 27.866 -12.832 -26.614 1.00 34.61 C ATOM 1184 OG SER B 19 28.761 -13.641 -25.848 1.00 39.95 O ATOM 1185 H SER B 19 26.791 -10.367 -27.440 1.00 20.00 H ATOM 1186 HG SER B 19 28.391 -13.791 -24.973 1.00 20.00 H ATOM 1187 N ILE B 20 29.963 -10.367 -25.388 1.00 25.30 N ATOM 1188 CA ILE B 20 31.210 -9.658 -25.660 1.00 21.96 C ATOM 1189 C ILE B 20 32.301 -10.574 -25.133 1.00 20.59 C ATOM 1190 O ILE B 20 32.121 -11.204 -24.079 1.00 20.23 O ATOM 1191 CB ILE B 20 31.217 -8.302 -24.917 1.00 22.29 C ATOM 1192 CG1 ILE B 20 30.104 -7.433 -25.478 1.00 24.10 C ATOM 1193 CG2 ILE B 20 32.561 -7.585 -25.090 1.00 21.68 C ATOM 1194 CD1 ILE B 20 29.893 -6.119 -24.724 1.00 26.49 C ATOM 1195 H ILE B 20 29.823 -10.754 -24.496 1.00 20.00 H ATOM 1196 N THR B 21 33.419 -10.659 -25.849 1.00 18.91 N ATOM 1197 CA THR B 21 34.545 -11.459 -25.428 1.00 18.64 C ATOM 1198 C THR B 21 35.690 -10.573 -24.966 1.00 19.08 C ATOM 1199 O THR B 21 35.922 -9.491 -25.505 1.00 21.49 O ATOM 1200 CB THR B 21 35.061 -12.327 -26.602 1.00 20.53 C ATOM 1201 OG1 THR B 21 33.946 -13.060 -27.059 1.00 21.29 O ATOM 1202 CG2 THR B 21 36.196 -13.269 -26.209 1.00 20.56 C ATOM 1203 H THR B 21 33.460 -10.224 -26.723 1.00 20.00 H ATOM 1204 HG1 THR B 21 33.334 -12.442 -27.486 1.00 20.00 H ATOM 1205 N CYS B 22 36.360 -10.997 -23.907 1.00 18.98 N ATOM 1206 CA CYS B 22 37.608 -10.410 -23.456 1.00 18.64 C ATOM 1207 C CYS B 22 38.695 -11.498 -23.592 1.00 18.66 C ATOM 1208 O CYS B 22 38.639 -12.546 -22.922 1.00 16.86 O ATOM 1209 CB CYS B 22 37.426 -9.970 -22.005 1.00 16.43 C ATOM 1210 SG CYS B 22 38.883 -9.277 -21.241 1.00 15.81 S ATOM 1211 H CYS B 22 35.915 -11.632 -23.313 1.00 20.00 H ATOM 1212 N THR B 23 39.674 -11.301 -24.488 1.00 18.57 N ATOM 1213 CA THR B 23 40.733 -12.280 -24.667 1.00 16.02 C ATOM 1214 C THR B 23 41.916 -11.676 -23.943 1.00 15.54 C ATOM 1215 O THR B 23 42.279 -10.510 -24.167 1.00 17.82 O ATOM 1216 CB THR B 23 41.030 -12.490 -26.175 1.00 16.44 C ATOM 1217 OG1 THR B 23 39.787 -12.737 -26.829 1.00 17.39 O ATOM 1218 CG2 THR B 23 41.979 -13.670 -26.408 1.00 16.22 C ATOM 1219 H THR B 23 39.774 -10.411 -24.865 1.00 20.00 H ATOM 1220 HG1 THR B 23 39.553 -13.676 -26.751 1.00 20.00 H ATOM 1221 N VAL B 24 42.519 -12.423 -23.032 1.00 14.49 N ATOM 1222 CA VAL B 24 43.634 -11.914 -22.258 1.00 16.60 C ATOM 1223 C VAL B 24 44.939 -12.611 -22.601 1.00 17.12 C ATOM 1224 O VAL B 24 44.912 -13.704 -23.176 1.00 17.36 O ATOM 1225 CB VAL B 24 43.333 -12.056 -20.722 1.00 14.50 C ATOM 1226 CG1 VAL B 24 41.934 -11.511 -20.494 1.00 15.78 C ATOM 1227 CG2 VAL B 24 43.401 -13.487 -20.193 1.00 13.45 C ATOM 1228 H VAL B 24 42.201 -13.329 -22.868 1.00 20.00 H ATOM 1229 N SER B 25 46.075 -12.015 -22.286 1.00 17.39 N ATOM 1230 CA SER B 25 47.344 -12.667 -22.446 1.00 19.25 C ATOM 1231 C SER B 25 48.303 -12.061 -21.459 1.00 17.98 C ATOM 1232 O SER B 25 48.153 -10.926 -20.978 1.00 20.09 O ATOM 1233 CB SER B 25 47.880 -12.500 -23.887 1.00 21.21 C ATOM 1234 OG SER B 25 47.967 -11.154 -24.317 1.00 27.74 O ATOM 1235 H SER B 25 46.070 -11.110 -21.906 1.00 20.00 H ATOM 1236 HG SER B 25 47.058 -10.857 -24.502 1.00 20.00 H ATOM 1237 N GLY B 26 49.302 -12.861 -21.096 1.00 18.74 N ATOM 1238 CA GLY B 26 50.342 -12.415 -20.205 1.00 17.82 C ATOM 1239 C GLY B 26 50.004 -12.825 -18.786 1.00 20.01 C ATOM 1240 O GLY B 26 50.861 -12.595 -17.940 1.00 23.03 O ATOM 1241 H GLY B 26 49.330 -13.774 -21.440 1.00 20.00 H ATOM 1242 N PHE B 27 48.849 -13.425 -18.455 1.00 18.56 N ATOM 1243 CA PHE B 27 48.563 -13.904 -17.096 1.00 17.73 C ATOM 1244 C PHE B 27 47.537 -15.026 -17.154 1.00 18.21 C ATOM 1245 O PHE B 27 46.823 -15.173 -18.157 1.00 21.31 O ATOM 1246 CB PHE B 27 48.013 -12.780 -16.193 1.00 16.41 C ATOM 1247 CG PHE B 27 46.679 -12.194 -16.654 1.00 17.14 C ATOM 1248 CD1 PHE B 27 46.652 -11.247 -17.665 1.00 16.29 C ATOM 1249 CD2 PHE B 27 45.499 -12.593 -16.041 1.00 15.85 C ATOM 1250 CE1 PHE B 27 45.449 -10.689 -18.055 1.00 15.84 C ATOM 1251 CE2 PHE B 27 44.295 -12.052 -16.430 1.00 14.26 C ATOM 1252 CZ PHE B 27 44.279 -11.097 -17.436 1.00 17.50 C ATOM 1253 H PHE B 27 48.166 -13.570 -19.141 1.00 20.00 H ATOM 1254 N SER B 28 47.411 -15.830 -16.114 1.00 19.56 N ATOM 1255 CA SER B 28 46.436 -16.908 -16.082 1.00 21.23 C ATOM 1256 C SER B 28 45.113 -16.433 -15.456 1.00 20.62 C ATOM 1257 O SER B 28 45.106 -15.719 -14.443 1.00 20.30 O ATOM 1258 CB SER B 28 46.968 -18.081 -15.260 1.00 23.53 C ATOM 1259 OG SER B 28 46.024 -19.159 -15.232 1.00 30.58 O ATOM 1260 H SER B 28 47.940 -15.639 -15.314 1.00 20.00 H ATOM 1261 HG SER B 28 46.172 -19.686 -16.046 1.00 20.00 H ATOM 1262 N LEU B 29 43.993 -16.911 -16.000 1.00 18.64 N ATOM 1263 CA LEU B 29 42.710 -16.543 -15.451 1.00 20.70 C ATOM 1264 C LEU B 29 42.420 -17.248 -14.128 1.00 22.76 C ATOM 1265 O LEU B 29 41.528 -16.831 -13.382 1.00 22.97 O ATOM 1266 CB LEU B 29 41.611 -16.838 -16.474 1.00 17.15 C ATOM 1267 CG LEU B 29 41.524 -15.822 -17.629 1.00 17.50 C ATOM 1268 CD1 LEU B 29 40.508 -16.336 -18.618 1.00 17.62 C ATOM 1269 CD2 LEU B 29 41.183 -14.413 -17.115 1.00 16.81 C ATOM 1270 H LEU B 29 44.035 -17.574 -16.731 1.00 20.00 H ATOM 1271 N THR B 30 43.187 -18.280 -13.751 1.00 21.64 N ATOM 1272 CA THR B 30 42.976 -18.901 -12.451 1.00 23.14 C ATOM 1273 C THR B 30 43.527 -18.003 -11.315 1.00 24.00 C ATOM 1274 O THR B 30 43.037 -18.018 -10.171 1.00 26.72 O ATOM 1275 CB THR B 30 43.653 -20.318 -12.432 1.00 22.79 C ATOM 1276 OG1 THR B 30 45.053 -20.150 -12.606 1.00 26.08 O ATOM 1277 CG2 THR B 30 43.137 -21.222 -13.536 1.00 24.32 C ATOM 1278 H THR B 30 43.935 -18.562 -14.312 1.00 20.00 H ATOM 1279 HG1 THR B 30 45.271 -20.133 -13.551 1.00 20.00 H ATOM 1280 N GLY B 31 44.524 -17.137 -11.566 1.00 20.88 N ATOM 1281 CA GLY B 31 45.126 -16.338 -10.518 1.00 15.23 C ATOM 1282 C GLY B 31 44.585 -14.934 -10.391 1.00 15.33 C ATOM 1283 O GLY B 31 45.027 -14.213 -9.484 1.00 15.41 O ATOM 1284 H GLY B 31 44.882 -17.065 -12.470 1.00 20.00 H ATOM 1285 N TYR B 32 43.658 -14.490 -11.249 1.00 15.13 N ATOM 1286 CA TYR B 32 43.196 -13.097 -11.238 1.00 14.68 C ATOM 1287 C TYR B 32 41.710 -12.987 -11.520 1.00 14.32 C ATOM 1288 O TYR B 32 41.143 -13.846 -12.189 1.00 17.57 O ATOM 1289 CB TYR B 32 43.891 -12.222 -12.307 1.00 15.70 C ATOM 1290 CG TYR B 32 45.370 -12.107 -12.070 1.00 16.43 C ATOM 1291 CD1 TYR B 32 46.196 -13.092 -12.594 1.00 16.49 C ATOM 1292 CD2 TYR B 32 45.858 -11.081 -11.286 1.00 16.88 C ATOM 1293 CE1 TYR B 32 47.535 -13.059 -12.321 1.00 19.32 C ATOM 1294 CE2 TYR B 32 47.200 -11.036 -11.012 1.00 18.33 C ATOM 1295 CZ TYR B 32 48.011 -12.032 -11.533 1.00 21.50 C ATOM 1296 OH TYR B 32 49.354 -12.005 -11.246 1.00 24.53 O ATOM 1297 H TYR B 32 43.159 -15.125 -11.814 1.00 20.00 H ATOM 1298 HH TYR B 32 49.788 -12.765 -11.690 1.00 20.00 H ATOM 1299 N GLY B 33 41.065 -11.924 -11.044 1.00 14.65 N ATOM 1300 CA GLY B 33 39.686 -11.730 -11.411 1.00 14.80 C ATOM 1301 C GLY B 33 39.614 -10.832 -12.656 1.00 15.72 C ATOM 1302 O GLY B 33 40.567 -10.108 -12.987 1.00 15.72 O ATOM 1303 H GLY B 33 41.577 -11.155 -10.719 1.00 20.00 H ATOM 1304 N VAL B 34 38.517 -10.854 -13.395 1.00 14.94 N ATOM 1305 CA VAL B 34 38.293 -9.944 -14.502 1.00 14.19 C ATOM 1306 C VAL B 34 36.941 -9.277 -14.227 1.00 14.07 C ATOM 1307 O VAL B 34 35.942 -9.925 -13.908 1.00 12.92 O ATOM 1308 CB VAL B 34 38.247 -10.687 -15.870 1.00 13.39 C ATOM 1309 CG1 VAL B 34 37.964 -9.743 -17.027 1.00 14.11 C ATOM 1310 CG2 VAL B 34 39.625 -11.287 -16.147 1.00 16.22 C ATOM 1311 H VAL B 34 37.855 -11.559 -13.233 1.00 20.00 H ATOM 1312 N ASN B 35 36.908 -7.952 -14.298 1.00 12.04 N ATOM 1313 CA ASN B 35 35.716 -7.133 -14.065 1.00 12.50 C ATOM 1314 C ASN B 35 35.261 -6.595 -15.412 1.00 14.12 C ATOM 1315 O ASN B 35 36.049 -6.454 -16.362 1.00 15.61 O ATOM 1316 CB ASN B 35 36.000 -5.913 -13.189 1.00 12.12 C ATOM 1317 CG ASN B 35 36.279 -6.196 -11.729 1.00 14.94 C ATOM 1318 OD1 ASN B 35 35.683 -5.576 -10.848 1.00 11.60 O ATOM 1319 ND2 ASN B 35 37.179 -7.104 -11.354 1.00 13.74 N ATOM 1320 H ASN B 35 37.718 -7.516 -14.652 1.00 20.00 H ATOM 1321 HD21 ASN B 35 37.181 -7.289 -10.399 1.00 0.00 H ATOM 1322 HD22 ASN B 35 37.722 -7.562 -12.021 1.00 0.00 H ATOM 1323 N TRP B 36 33.994 -6.241 -15.480 1.00 12.47 N ATOM 1324 CA TRP B 36 33.417 -5.665 -16.660 1.00 12.22 C ATOM 1325 C TRP B 36 32.828 -4.341 -16.173 1.00 15.10 C ATOM 1326 O TRP B 36 32.183 -4.258 -15.108 1.00 10.70 O ATOM 1327 CB TRP B 36 32.319 -6.588 -17.212 1.00 14.82 C ATOM 1328 CG TRP B 36 32.823 -7.791 -17.999 1.00 15.53 C ATOM 1329 CD1 TRP B 36 32.881 -9.043 -17.458 1.00 17.47 C ATOM 1330 CD2 TRP B 36 33.210 -7.765 -19.319 1.00 16.99 C ATOM 1331 NE1 TRP B 36 33.295 -9.810 -18.442 1.00 18.58 N ATOM 1332 CE2 TRP B 36 33.501 -9.099 -19.559 1.00 17.54 C ATOM 1333 CE3 TRP B 36 33.342 -6.798 -20.310 1.00 17.26 C ATOM 1334 CZ2 TRP B 36 33.925 -9.521 -20.798 1.00 13.63 C ATOM 1335 CZ3 TRP B 36 33.769 -7.215 -21.555 1.00 17.66 C ATOM 1336 CH2 TRP B 36 34.056 -8.557 -21.784 1.00 17.17 C ATOM 1337 H TRP B 36 33.418 -6.343 -14.690 1.00 20.00 H ATOM 1338 HE1 TRP B 36 33.415 -10.778 -18.367 1.00 20.00 H ATOM 1339 N VAL B 37 33.131 -3.299 -16.938 1.00 15.20 N ATOM 1340 CA VAL B 37 32.776 -1.917 -16.652 1.00 15.14 C ATOM 1341 C VAL B 37 32.253 -1.258 -17.932 1.00 17.29 C ATOM 1342 O VAL B 37 32.809 -1.501 -19.013 1.00 16.71 O ATOM 1343 CB VAL B 37 34.068 -1.203 -16.128 1.00 13.69 C ATOM 1344 CG1 VAL B 37 33.844 0.333 -16.052 1.00 14.15 C ATOM 1345 CG2 VAL B 37 34.437 -1.713 -14.764 1.00 11.06 C ATOM 1346 H VAL B 37 33.641 -3.451 -17.765 1.00 20.00 H ATOM 1347 N ARG B 38 31.210 -0.428 -17.916 1.00 16.80 N ATOM 1348 CA ARG B 38 30.857 0.277 -19.152 1.00 16.44 C ATOM 1349 C ARG B 38 30.823 1.793 -18.933 1.00 16.96 C ATOM 1350 O ARG B 38 30.878 2.297 -17.796 1.00 15.67 O ATOM 1351 CB ARG B 38 29.499 -0.191 -19.693 1.00 16.22 C ATOM 1352 CG ARG B 38 28.318 0.185 -18.834 1.00 17.29 C ATOM 1353 CD ARG B 38 27.067 -0.424 -19.381 1.00 19.24 C ATOM 1354 NE ARG B 38 25.955 -0.020 -18.550 1.00 24.47 N ATOM 1355 CZ ARG B 38 24.713 -0.499 -18.711 1.00 24.31 C ATOM 1356 NH1 ARG B 38 24.418 -1.371 -19.674 1.00 23.72 N ATOM 1357 NH2 ARG B 38 23.760 -0.095 -17.866 1.00 22.92 N ATOM 1358 H ARG B 38 30.716 -0.255 -17.083 1.00 20.00 H ATOM 1359 HE ARG B 38 26.126 0.650 -17.858 1.00 20.00 H ATOM 1360 HH11 ARG B 38 25.131 -1.716 -20.283 1.00 0.00 H ATOM 1361 HH12 ARG B 38 23.481 -1.703 -19.774 1.00 0.00 H ATOM 1362 HH21 ARG B 38 23.991 0.550 -17.137 1.00 0.00 H ATOM 1363 HH22 ARG B 38 22.831 -0.454 -17.947 1.00 0.00 H ATOM 1364 N GLN B 39 30.847 2.556 -20.012 1.00 16.49 N ATOM 1365 CA GLN B 39 30.822 4.002 -19.917 1.00 16.61 C ATOM 1366 C GLN B 39 29.917 4.541 -21.015 1.00 19.66 C ATOM 1367 O GLN B 39 30.293 4.444 -22.195 1.00 19.28 O ATOM 1368 CB GLN B 39 32.225 4.536 -20.080 1.00 13.66 C ATOM 1369 CG GLN B 39 32.281 6.044 -20.029 1.00 15.22 C ATOM 1370 CD GLN B 39 33.716 6.492 -19.925 1.00 17.59 C ATOM 1371 OE1 GLN B 39 34.624 5.852 -20.471 1.00 21.00 O ATOM 1372 NE2 GLN B 39 33.981 7.526 -19.143 1.00 16.29 N ATOM 1373 H GLN B 39 30.981 2.129 -20.880 1.00 20.00 H ATOM 1374 HE21 GLN B 39 34.916 7.792 -19.036 1.00 0.00 H ATOM 1375 HE22 GLN B 39 33.228 7.962 -18.681 1.00 0.00 H ATOM 1376 N PRO B 40 28.701 5.043 -20.748 1.00 21.08 N ATOM 1377 CA PRO B 40 27.815 5.638 -21.748 1.00 23.48 C ATOM 1378 C PRO B 40 28.489 6.863 -22.344 1.00 25.08 C ATOM 1379 O PRO B 40 29.371 7.454 -21.699 1.00 23.75 O ATOM 1380 CB PRO B 40 26.529 5.963 -20.992 1.00 23.01 C ATOM 1381 CG PRO B 40 26.591 5.019 -19.823 1.00 23.55 C ATOM 1382 CD PRO B 40 28.061 5.081 -19.433 1.00 23.25 C ATOM 1383 N PRO B 41 28.123 7.263 -23.564 1.00 30.06 N ATOM 1384 CA PRO B 41 28.678 8.423 -24.256 1.00 30.50 C ATOM 1385 C PRO B 41 28.669 9.636 -23.356 1.00 30.23 C ATOM 1386 O PRO B 41 27.635 9.988 -22.788 1.00 29.21 O ATOM 1387 CB PRO B 41 27.804 8.588 -25.478 1.00 32.64 C ATOM 1388 CG PRO B 41 27.402 7.162 -25.789 1.00 33.24 C ATOM 1389 CD PRO B 41 27.101 6.616 -24.394 1.00 31.51 C ATOM 1390 N GLY B 42 29.880 10.146 -23.151 1.00 32.56 N ATOM 1391 CA GLY B 42 30.141 11.317 -22.331 1.00 32.56 C ATOM 1392 C GLY B 42 29.638 11.183 -20.900 1.00 34.06 C ATOM 1393 O GLY B 42 29.242 12.183 -20.297 1.00 33.26 O ATOM 1394 H GLY B 42 30.646 9.660 -23.525 1.00 20.00 H ATOM 1395 N LYS B 43 29.598 9.956 -20.355 1.00 32.00 N ATOM 1396 CA LYS B 43 29.167 9.719 -18.989 1.00 29.32 C ATOM 1397 C LYS B 43 30.296 9.085 -18.188 1.00 24.44 C ATOM 1398 O LYS B 43 31.385 8.866 -18.723 1.00 22.52 O ATOM 1399 CB LYS B 43 27.964 8.798 -18.987 1.00 33.08 C ATOM 1400 CG LYS B 43 26.579 9.402 -18.820 1.00 41.04 C ATOM 1401 CD LYS B 43 26.207 10.427 -19.882 1.00 46.43 C ATOM 1402 CE LYS B 43 24.730 10.769 -19.782 1.00 50.36 C ATOM 1403 NZ LYS B 43 24.442 12.021 -20.462 1.00 53.25 N ATOM 1404 H LYS B 43 29.871 9.184 -20.886 1.00 20.00 H ATOM 1405 HZ1 LYS B 43 25.007 12.777 -20.025 1.00 20.00 H ATOM 1406 HZ2 LYS B 43 24.679 11.951 -21.473 1.00 20.00 H ATOM 1407 HZ3 LYS B 43 23.432 12.247 -20.359 1.00 20.00 H ATOM 1408 N GLY B 44 30.070 8.772 -16.915 1.00 20.86 N ATOM 1409 CA GLY B 44 31.065 8.194 -16.044 1.00 17.04 C ATOM 1410 C GLY B 44 31.052 6.678 -16.109 1.00 16.30 C ATOM 1411 O GLY B 44 30.279 6.074 -16.851 1.00 17.97 O ATOM 1412 H GLY B 44 29.177 8.887 -16.540 1.00 20.00 H ATOM 1413 N LEU B 45 31.920 6.031 -15.345 1.00 17.07 N ATOM 1414 CA LEU B 45 32.060 4.576 -15.391 1.00 16.32 C ATOM 1415 C LEU B 45 30.990 3.891 -14.573 1.00 14.23 C ATOM 1416 O LEU B 45 30.569 4.453 -13.551 1.00 14.47 O ATOM 1417 CB LEU B 45 33.448 4.219 -14.882 1.00 14.93 C ATOM 1418 CG LEU B 45 34.611 4.833 -15.668 1.00 17.81 C ATOM 1419 CD1 LEU B 45 35.896 4.633 -14.878 1.00 16.14 C ATOM 1420 CD2 LEU B 45 34.671 4.224 -17.083 1.00 16.36 C ATOM 1421 H LEU B 45 32.427 6.555 -14.689 1.00 20.00 H ATOM 1422 N GLU B 46 30.543 2.712 -15.005 1.00 14.33 N ATOM 1423 CA GLU B 46 29.525 1.952 -14.307 1.00 16.01 C ATOM 1424 C GLU B 46 30.016 0.532 -14.152 1.00 16.21 C ATOM 1425 O GLU B 46 30.392 -0.055 -15.174 1.00 15.95 O ATOM 1426 CB GLU B 46 28.279 1.958 -15.119 1.00 16.89 C ATOM 1427 CG GLU B 46 27.088 1.257 -14.509 1.00 24.86 C ATOM 1428 CD GLU B 46 25.834 1.283 -15.382 1.00 28.86 C ATOM 1429 OE1 GLU B 46 25.737 2.058 -16.344 1.00 34.68 O ATOM 1430 OE2 GLU B 46 24.934 0.506 -15.087 1.00 33.57 O ATOM 1431 H GLU B 46 30.900 2.324 -15.838 1.00 20.00 H ATOM 1432 N TRP B 47 30.054 -0.021 -12.931 1.00 14.23 N ATOM 1433 CA TRP B 47 30.489 -1.404 -12.698 1.00 16.28 C ATOM 1434 C TRP B 47 29.367 -2.395 -13.051 1.00 16.02 C ATOM 1435 O TRP B 47 28.195 -2.206 -12.679 1.00 17.99 O ATOM 1436 CB TRP B 47 30.924 -1.573 -11.210 1.00 15.69 C ATOM 1437 CG TRP B 47 31.604 -2.899 -10.816 1.00 14.20 C ATOM 1438 CD1 TRP B 47 32.942 -3.087 -11.073 1.00 15.76 C ATOM 1439 CD2 TRP B 47 31.021 -4.005 -10.200 1.00 16.79 C ATOM 1440 NE1 TRP B 47 33.205 -4.291 -10.624 1.00 15.94 N ATOM 1441 CE2 TRP B 47 32.102 -4.884 -10.109 1.00 17.80 C ATOM 1442 CE3 TRP B 47 29.775 -4.420 -9.716 1.00 18.06 C ATOM 1443 CZ2 TRP B 47 31.961 -6.149 -9.535 1.00 14.61 C ATOM 1444 CZ3 TRP B 47 29.641 -5.683 -9.148 1.00 14.08 C ATOM 1445 CH2 TRP B 47 30.714 -6.542 -9.062 1.00 14.96 C ATOM 1446 H TRP B 47 29.750 0.505 -12.162 1.00 20.00 H ATOM 1447 HE1 TRP B 47 34.097 -4.694 -10.619 1.00 20.00 H ATOM 1448 N LEU B 48 29.689 -3.439 -13.823 1.00 12.01 N ATOM 1449 CA LEU B 48 28.701 -4.440 -14.206 1.00 12.15 C ATOM 1450 C LEU B 48 28.826 -5.725 -13.415 1.00 12.97 C ATOM 1451 O LEU B 48 27.803 -6.295 -13.022 1.00 13.25 O ATOM 1452 CB LEU B 48 28.812 -4.766 -15.708 1.00 12.88 C ATOM 1453 CG LEU B 48 28.613 -3.554 -16.634 1.00 18.40 C ATOM 1454 CD1 LEU B 48 28.852 -3.959 -18.075 1.00 18.90 C ATOM 1455 CD2 LEU B 48 27.210 -2.998 -16.481 1.00 15.50 C ATOM 1456 H LEU B 48 30.617 -3.539 -14.124 1.00 20.00 H ATOM 1457 N GLY B 49 30.035 -6.171 -13.084 1.00 13.08 N ATOM 1458 CA GLY B 49 30.211 -7.432 -12.404 1.00 12.99 C ATOM 1459 C GLY B 49 31.609 -7.968 -12.579 1.00 14.15 C ATOM 1460 O GLY B 49 32.454 -7.299 -13.190 1.00 13.72 O ATOM 1461 H GLY B 49 30.832 -5.618 -13.233 1.00 20.00 H ATOM 1462 N MET B 50 31.859 -9.164 -12.059 1.00 13.88 N ATOM 1463 CA MET B 50 33.170 -9.785 -12.130 1.00 13.06 C ATOM 1464 C MET B 50 33.103 -11.301 -12.006 1.00 14.12 C ATOM 1465 O MET B 50 32.080 -11.876 -11.620 1.00 13.38 O ATOM 1466 CB MET B 50 34.037 -9.246 -11.017 1.00 13.98 C ATOM 1467 CG MET B 50 33.638 -9.738 -9.612 1.00 12.71 C ATOM 1468 SD MET B 50 34.588 -8.921 -8.354 1.00 16.17 S ATOM 1469 CE MET B 50 36.130 -9.691 -8.681 1.00 9.57 C ATOM 1470 H MET B 50 31.140 -9.646 -11.588 1.00 20.00 H ATOM 1471 N ILE B 51 34.218 -11.932 -12.345 1.00 15.02 N ATOM 1472 CA ILE B 51 34.414 -13.350 -12.139 1.00 14.89 C ATOM 1473 C ILE B 51 35.837 -13.422 -11.570 1.00 15.19 C ATOM 1474 O ILE B 51 36.815 -12.769 -12.018 1.00 10.95 O ATOM 1475 CB ILE B 51 34.244 -14.146 -13.491 1.00 14.38 C ATOM 1476 CG1 ILE B 51 34.357 -15.655 -13.155 1.00 14.06 C ATOM 1477 CG2 ILE B 51 35.237 -13.655 -14.574 1.00 11.62 C ATOM 1478 CD1 ILE B 51 33.777 -16.639 -14.218 1.00 12.56 C ATOM 1479 H ILE B 51 34.978 -11.420 -12.708 1.00 20.00 H ATOM 1480 N TRP B 52 35.809 -14.065 -10.397 1.00 11.32 N ATOM 1481 CA TRP B 52 37.013 -14.326 -9.635 1.00 12.24 C ATOM 1482 C TRP B 52 37.841 -15.442 -10.285 1.00 10.15 C ATOM 1483 O TRP B 52 37.302 -16.259 -11.035 1.00 15.58 O ATOM 1484 CB TRP B 52 36.632 -14.724 -8.195 1.00 12.73 C ATOM 1485 CG TRP B 52 35.954 -13.630 -7.377 1.00 12.96 C ATOM 1486 CD1 TRP B 52 34.591 -13.448 -7.392 1.00 12.90 C ATOM 1487 CD2 TRP B 52 36.593 -12.707 -6.602 1.00 12.49 C ATOM 1488 NE1 TRP B 52 34.372 -12.398 -6.648 1.00 12.02 N ATOM 1489 CE2 TRP B 52 35.529 -11.924 -6.149 1.00 13.57 C ATOM 1490 CE3 TRP B 52 37.874 -12.392 -6.221 1.00 10.28 C ATOM 1491 CZ2 TRP B 52 35.739 -10.833 -5.312 1.00 13.37 C ATOM 1492 CZ3 TRP B 52 38.077 -11.306 -5.391 1.00 13.20 C ATOM 1493 CH2 TRP B 52 37.038 -10.522 -4.944 1.00 13.29 C ATOM 1494 H TRP B 52 34.940 -14.373 -10.075 1.00 20.00 H ATOM 1495 HE1 TRP B 52 33.543 -11.891 -6.685 1.00 20.00 H ATOM 1496 N GLY B 53 39.104 -15.573 -9.879 1.00 13.65 N ATOM 1497 CA GLY B 53 40.013 -16.626 -10.331 1.00 14.21 C ATOM 1498 C GLY B 53 39.428 -18.014 -10.136 1.00 17.74 C ATOM 1499 O GLY B 53 39.576 -18.900 -10.974 1.00 18.78 O ATOM 1500 H GLY B 53 39.449 -14.948 -9.213 1.00 20.00 H ATOM 1501 N ASP B 54 38.703 -18.200 -9.031 1.00 19.47 N ATOM 1502 CA ASP B 54 38.024 -19.451 -8.736 1.00 17.54 C ATOM 1503 C ASP B 54 36.701 -19.694 -9.443 1.00 17.62 C ATOM 1504 O ASP B 54 36.041 -20.691 -9.178 1.00 20.70 O ATOM 1505 CB ASP B 54 37.788 -19.563 -7.232 1.00 20.35 C ATOM 1506 CG ASP B 54 36.897 -18.497 -6.588 1.00 20.04 C ATOM 1507 OD1 ASP B 54 36.139 -17.809 -7.263 1.00 19.19 O ATOM 1508 OD2 ASP B 54 36.970 -18.356 -5.376 1.00 21.88 O ATOM 1509 H ASP B 54 38.753 -17.504 -8.352 1.00 20.00 H ATOM 1510 N GLY B 55 36.222 -18.800 -10.311 1.00 18.03 N ATOM 1511 CA GLY B 55 34.983 -19.020 -11.047 1.00 15.07 C ATOM 1512 C GLY B 55 33.723 -18.425 -10.443 1.00 15.35 C ATOM 1513 O GLY B 55 32.674 -18.403 -11.089 1.00 18.00 O ATOM 1514 H GLY B 55 36.806 -18.055 -10.574 1.00 20.00 H ATOM 1515 N ASN B 56 33.754 -17.942 -9.202 1.00 17.08 N ATOM 1516 CA ASN B 56 32.588 -17.303 -8.598 1.00 15.23 C ATOM 1517 C ASN B 56 32.327 -15.982 -9.282 1.00 15.88 C ATOM 1518 O ASN B 56 33.278 -15.332 -9.747 1.00 16.77 O ATOM 1519 CB ASN B 56 32.821 -17.065 -7.118 1.00 15.51 C ATOM 1520 CG ASN B 56 32.739 -18.366 -6.337 1.00 16.61 C ATOM 1521 OD1 ASN B 56 33.714 -18.805 -5.759 1.00 18.31 O ATOM 1522 ND2 ASN B 56 31.600 -19.018 -6.283 1.00 18.25 N ATOM 1523 H ASN B 56 34.568 -18.034 -8.674 1.00 20.00 H ATOM 1524 HD21 ASN B 56 31.609 -19.851 -5.773 1.00 0.00 H ATOM 1525 HD22 ASN B 56 30.812 -18.650 -6.732 1.00 0.00 H ATOM 1526 N THR B 57 31.066 -15.595 -9.388 1.00 16.50 N ATOM 1527 CA THR B 57 30.685 -14.350 -10.029 1.00 16.50 C ATOM 1528 C THR B 57 29.946 -13.430 -9.069 1.00 17.94 C ATOM 1529 O THR B 57 29.361 -13.910 -8.092 1.00 17.76 O ATOM 1530 CB THR B 57 29.808 -14.667 -11.243 1.00 16.18 C ATOM 1531 OG1 THR B 57 28.720 -15.498 -10.801 1.00 16.66 O ATOM 1532 CG2 THR B 57 30.650 -15.305 -12.354 1.00 16.43 C ATOM 1533 H THR B 57 30.344 -16.180 -9.075 1.00 20.00 H ATOM 1534 HG1 THR B 57 28.342 -15.991 -11.547 1.00 20.00 H ATOM 1535 N ASP B 58 30.011 -12.118 -9.266 1.00 15.66 N ATOM 1536 CA ASP B 58 29.269 -11.142 -8.468 1.00 17.00 C ATOM 1537 C ASP B 58 28.835 -10.078 -9.447 1.00 16.72 C ATOM 1538 O ASP B 58 29.572 -9.779 -10.403 1.00 15.65 O ATOM 1539 CB ASP B 58 30.126 -10.503 -7.358 1.00 18.58 C ATOM 1540 CG ASP B 58 30.353 -11.455 -6.163 1.00 20.99 C ATOM 1541 OD1 ASP B 58 29.382 -11.930 -5.562 1.00 22.90 O ATOM 1542 OD2 ASP B 58 31.509 -11.740 -5.843 1.00 19.45 O ATOM 1543 H ASP B 58 30.534 -11.795 -10.038 1.00 20.00 H ATOM 1544 N TYR B 59 27.634 -9.546 -9.281 1.00 16.37 N ATOM 1545 CA TYR B 59 27.019 -8.643 -10.238 1.00 15.78 C ATOM 1546 C TYR B 59 26.469 -7.376 -9.604 1.00 17.82 C ATOM 1547 O TYR B 59 26.162 -7.315 -8.406 1.00 19.40 O ATOM 1548 CB TYR B 59 25.869 -9.335 -10.937 1.00 16.04 C ATOM 1549 CG TYR B 59 26.221 -10.624 -11.659 1.00 17.79 C ATOM 1550 CD1 TYR B 59 26.767 -10.527 -12.921 1.00 18.25 C ATOM 1551 CD2 TYR B 59 26.012 -11.862 -11.073 1.00 17.95 C ATOM 1552 CE1 TYR B 59 27.124 -11.676 -13.606 1.00 18.63 C ATOM 1553 CE2 TYR B 59 26.370 -13.011 -11.755 1.00 19.34 C ATOM 1554 CZ TYR B 59 26.915 -12.902 -13.023 1.00 17.61 C ATOM 1555 OH TYR B 59 27.250 -14.022 -13.752 1.00 18.13 O ATOM 1556 H TYR B 59 27.138 -9.746 -8.456 1.00 20.00 H ATOM 1557 HH TYR B 59 27.020 -14.807 -13.240 1.00 20.00 H ATOM 1558 N ASN B 60 26.386 -6.345 -10.444 1.00 18.17 N ATOM 1559 CA ASN B 60 25.740 -5.077 -10.137 1.00 19.51 C ATOM 1560 C ASN B 60 24.302 -5.426 -9.721 1.00 20.91 C ATOM 1561 O ASN B 60 23.594 -6.174 -10.412 1.00 19.80 O ATOM 1562 CB ASN B 60 25.756 -4.194 -11.399 1.00 21.25 C ATOM 1563 CG ASN B 60 24.935 -2.898 -11.368 1.00 21.74 C ATOM 1564 OD1 ASN B 60 23.746 -2.863 -11.034 1.00 21.18 O ATOM 1565 ND2 ASN B 60 25.505 -1.777 -11.769 1.00 19.24 N ATOM 1566 H ASN B 60 26.791 -6.449 -11.332 1.00 20.00 H ATOM 1567 HD21 ASN B 60 24.961 -0.968 -11.741 1.00 0.00 H ATOM 1568 HD22 ASN B 60 26.437 -1.819 -12.074 1.00 0.00 H ATOM 1569 N SER B 61 23.828 -4.874 -8.614 1.00 22.27 N ATOM 1570 CA SER B 61 22.518 -5.195 -8.059 1.00 27.50 C ATOM 1571 C SER B 61 21.353 -4.999 -9.022 1.00 27.86 C ATOM 1572 O SER B 61 20.505 -5.879 -9.191 1.00 29.33 O ATOM 1573 CB SER B 61 22.305 -4.336 -6.814 1.00 27.87 C ATOM 1574 OG SER B 61 23.325 -4.641 -5.874 1.00 35.20 O ATOM 1575 H SER B 61 24.331 -4.133 -8.213 1.00 20.00 H ATOM 1576 HG SER B 61 24.076 -4.979 -6.374 1.00 20.00 H ATOM 1577 N ALA B 62 21.360 -3.877 -9.736 1.00 27.45 N ATOM 1578 CA ALA B 62 20.248 -3.559 -10.609 1.00 30.58 C ATOM 1579 C ALA B 62 20.237 -4.383 -11.888 1.00 32.15 C ATOM 1580 O ALA B 62 19.180 -4.647 -12.457 1.00 36.06 O ATOM 1581 CB ALA B 62 20.297 -2.075 -10.981 1.00 27.44 C ATOM 1582 H ALA B 62 22.167 -3.313 -9.759 1.00 20.00 H ATOM 1583 N LEU B 63 21.400 -4.840 -12.343 1.00 32.37 N ATOM 1584 CA LEU B 63 21.514 -5.491 -13.630 1.00 32.15 C ATOM 1585 C LEU B 63 21.683 -6.984 -13.550 1.00 32.41 C ATOM 1586 O LEU B 63 21.663 -7.668 -14.570 1.00 31.58 O ATOM 1587 CB LEU B 63 22.690 -4.862 -14.384 1.00 32.12 C ATOM 1588 CG LEU B 63 22.520 -3.534 -15.154 1.00 33.50 C ATOM 1589 CD1 LEU B 63 21.761 -2.478 -14.368 1.00 35.07 C ATOM 1590 CD2 LEU B 63 23.898 -2.981 -15.438 1.00 31.82 C ATOM 1591 H LEU B 63 22.195 -4.748 -11.781 1.00 20.00 H ATOM 1592 N LYS B 64 21.790 -7.526 -12.341 1.00 33.44 N ATOM 1593 CA LYS B 64 22.046 -8.934 -12.126 1.00 34.04 C ATOM 1594 C LYS B 64 21.161 -9.903 -12.900 1.00 35.57 C ATOM 1595 O LYS B 64 21.647 -10.911 -13.408 1.00 36.48 O ATOM 1596 CB LYS B 64 21.906 -9.197 -10.672 1.00 36.29 C ATOM 1597 CG LYS B 64 22.441 -10.538 -10.209 1.00 41.20 C ATOM 1598 CD LYS B 64 21.976 -10.830 -8.793 1.00 47.90 C ATOM 1599 CE LYS B 64 22.141 -9.632 -7.827 1.00 52.88 C ATOM 1600 NZ LYS B 64 20.900 -8.882 -7.654 1.00 54.54 N ATOM 1601 H LYS B 64 21.687 -6.943 -11.559 1.00 20.00 H ATOM 1602 HZ1 LYS B 64 20.509 -8.618 -8.582 1.00 20.00 H ATOM 1603 HZ2 LYS B 64 20.208 -9.472 -7.145 1.00 20.00 H ATOM 1604 HZ3 LYS B 64 21.094 -8.022 -7.100 1.00 20.00 H ATOM 1605 N SER B 65 19.876 -9.605 -13.071 1.00 35.69 N ATOM 1606 CA SER B 65 18.924 -10.478 -13.756 1.00 36.10 C ATOM 1607 C SER B 65 19.105 -10.609 -15.271 1.00 33.86 C ATOM 1608 O SER B 65 18.491 -11.468 -15.905 1.00 34.56 O ATOM 1609 CB SER B 65 17.514 -9.959 -13.471 1.00 37.71 C ATOM 1610 OG SER B 65 17.472 -8.551 -13.704 1.00 42.62 O ATOM 1611 H SER B 65 19.552 -8.717 -12.805 1.00 20.00 H ATOM 1612 HG SER B 65 16.579 -8.293 -13.954 1.00 20.00 H ATOM 1613 N ARG B 66 19.871 -9.683 -15.856 1.00 30.17 N ATOM 1614 CA ARG B 66 20.116 -9.598 -17.282 1.00 26.83 C ATOM 1615 C ARG B 66 21.521 -10.011 -17.669 1.00 24.82 C ATOM 1616 O ARG B 66 21.809 -10.105 -18.862 1.00 22.98 O ATOM 1617 CB ARG B 66 19.921 -8.172 -17.778 1.00 28.17 C ATOM 1618 CG ARG B 66 18.554 -7.597 -17.506 1.00 31.21 C ATOM 1619 CD ARG B 66 18.271 -6.445 -18.431 1.00 30.76 C ATOM 1620 NE ARG B 66 19.004 -5.242 -18.103 1.00 35.07 N ATOM 1621 CZ ARG B 66 19.714 -4.571 -19.015 1.00 36.11 C ATOM 1622 NH1 ARG B 66 19.923 -5.050 -20.249 1.00 36.84 N ATOM 1623 NH2 ARG B 66 20.251 -3.411 -18.650 1.00 35.59 N ATOM 1624 H ARG B 66 20.296 -9.007 -15.291 1.00 20.00 H ATOM 1625 HE ARG B 66 18.991 -4.908 -17.185 1.00 20.00 H ATOM 1626 HH11 ARG B 66 19.566 -5.949 -20.500 1.00 0.00 H ATOM 1627 HH12 ARG B 66 20.464 -4.534 -20.911 1.00 0.00 H ATOM 1628 HH21 ARG B 66 20.118 -3.086 -17.713 1.00 0.00 H ATOM 1629 HH22 ARG B 66 20.773 -2.865 -19.301 1.00 0.00 H ATOM 1630 N LEU B 67 22.398 -10.214 -16.680 1.00 24.01 N ATOM 1631 CA LEU B 67 23.810 -10.466 -16.902 1.00 25.02 C ATOM 1632 C LEU B 67 24.276 -11.840 -16.508 1.00 23.64 C ATOM 1633 O LEU B 67 23.803 -12.444 -15.551 1.00 25.88 O ATOM 1634 CB LEU B 67 24.692 -9.504 -16.125 1.00 27.18 C ATOM 1635 CG LEU B 67 24.682 -8.026 -16.418 1.00 30.39 C ATOM 1636 CD1 LEU B 67 25.625 -7.366 -15.443 1.00 31.69 C ATOM 1637 CD2 LEU B 67 25.143 -7.732 -17.829 1.00 32.08 C ATOM 1638 H LEU B 67 22.071 -10.253 -15.762 1.00 20.00 H ATOM 1639 N SER B 68 25.290 -12.310 -17.204 1.00 23.41 N ATOM 1640 CA SER B 68 25.881 -13.598 -16.967 1.00 22.88 C ATOM 1641 C SER B 68 27.327 -13.451 -17.410 1.00 21.62 C ATOM 1642 O SER B 68 27.580 -12.983 -18.530 1.00 21.86 O ATOM 1643 CB SER B 68 25.137 -14.617 -17.807 1.00 23.50 C ATOM 1644 OG SER B 68 25.835 -15.845 -17.750 1.00 30.31 O ATOM 1645 H SER B 68 25.627 -11.793 -17.973 1.00 20.00 H ATOM 1646 HG SER B 68 26.575 -15.823 -18.363 1.00 20.00 H ATOM 1647 N ILE B 69 28.281 -13.722 -16.526 1.00 18.19 N ATOM 1648 CA ILE B 69 29.696 -13.703 -16.881 1.00 15.41 C ATOM 1649 C ILE B 69 30.229 -15.133 -16.737 1.00 15.66 C ATOM 1650 O ILE B 69 29.875 -15.843 -15.780 1.00 18.79 O ATOM 1651 CB ILE B 69 30.440 -12.704 -15.934 1.00 14.31 C ATOM 1652 CG1 ILE B 69 29.984 -11.275 -16.224 1.00 13.50 C ATOM 1653 CG2 ILE B 69 31.950 -12.837 -16.106 1.00 13.86 C ATOM 1654 CD1 ILE B 69 30.446 -10.239 -15.190 1.00 14.90 C ATOM 1655 H ILE B 69 28.045 -13.897 -15.590 1.00 20.00 H ATOM 1656 N SER B 70 31.055 -15.618 -17.663 1.00 16.77 N ATOM 1657 CA SER B 70 31.699 -16.914 -17.555 1.00 17.38 C ATOM 1658 C SER B 70 33.086 -16.853 -18.192 1.00 20.52 C ATOM 1659 O SER B 70 33.484 -15.816 -18.751 1.00 17.76 O ATOM 1660 CB SER B 70 30.843 -17.950 -18.242 1.00 19.72 C ATOM 1661 OG SER B 70 30.637 -17.617 -19.601 1.00 20.69 O ATOM 1662 H SER B 70 31.275 -15.069 -18.449 1.00 20.00 H ATOM 1663 HG SER B 70 30.106 -18.309 -20.008 1.00 20.00 H ATOM 1664 N LYS B 71 33.896 -17.897 -18.063 1.00 18.56 N ATOM 1665 CA LYS B 71 35.221 -17.884 -18.648 1.00 20.78 C ATOM 1666 C LYS B 71 35.629 -19.283 -19.068 1.00 21.44 C ATOM 1667 O LYS B 71 35.123 -20.303 -18.565 1.00 18.52 O ATOM 1668 CB LYS B 71 36.279 -17.347 -17.660 1.00 18.05 C ATOM 1669 CG LYS B 71 36.534 -18.161 -16.404 1.00 17.99 C ATOM 1670 CD LYS B 71 37.606 -17.485 -15.594 1.00 17.17 C ATOM 1671 CE LYS B 71 37.730 -18.251 -14.284 1.00 17.68 C ATOM 1672 NZ LYS B 71 39.058 -18.066 -13.724 1.00 17.10 N ATOM 1673 H LYS B 71 33.596 -18.699 -17.575 1.00 20.00 H ATOM 1674 HZ1 LYS B 71 39.734 -18.215 -14.500 1.00 20.00 H ATOM 1675 HZ2 LYS B 71 39.175 -17.106 -13.347 1.00 20.00 H ATOM 1676 HZ3 LYS B 71 39.231 -18.763 -12.975 1.00 20.00 H ATOM 1677 N ASP B 72 36.553 -19.306 -20.012 1.00 21.22 N ATOM 1678 CA ASP B 72 37.164 -20.542 -20.440 1.00 22.92 C ATOM 1679 C ASP B 72 38.635 -20.348 -20.151 1.00 21.67 C ATOM 1680 O ASP B 72 39.318 -19.643 -20.905 1.00 22.42 O ATOM 1681 CB ASP B 72 36.930 -20.755 -21.931 1.00 27.53 C ATOM 1682 CG ASP B 72 37.376 -22.140 -22.422 1.00 30.31 C ATOM 1683 OD1 ASP B 72 38.402 -22.654 -21.974 1.00 28.74 O ATOM 1684 OD2 ASP B 72 36.692 -22.703 -23.277 1.00 34.02 O ATOM 1685 H ASP B 72 36.865 -18.458 -20.380 1.00 20.00 H ATOM 1686 N ASN B 73 39.153 -20.988 -19.104 1.00 21.77 N ATOM 1687 CA ASN B 73 40.535 -20.800 -18.696 1.00 27.21 C ATOM 1688 C ASN B 73 41.545 -21.255 -19.729 1.00 30.26 C ATOM 1689 O ASN B 73 42.562 -20.581 -19.886 1.00 28.68 O ATOM 1690 CB ASN B 73 40.847 -21.539 -17.393 1.00 28.63 C ATOM 1691 CG ASN B 73 40.248 -20.942 -16.106 1.00 32.19 C ATOM 1692 OD1 ASN B 73 40.248 -19.743 -15.810 1.00 31.55 O ATOM 1693 ND2 ASN B 73 39.714 -21.790 -15.246 1.00 30.69 N ATOM 1694 H ASN B 73 38.566 -21.551 -18.555 1.00 20.00 H ATOM 1695 HD21 ASN B 73 39.396 -21.418 -14.396 1.00 0.00 H ATOM 1696 HD22 ASN B 73 39.673 -22.735 -15.486 1.00 0.00 H ATOM 1697 N SER B 74 41.309 -22.321 -20.502 1.00 33.82 N ATOM 1698 CA SER B 74 42.260 -22.778 -21.505 1.00 36.73 C ATOM 1699 C SER B 74 42.296 -21.868 -22.721 1.00 36.29 C ATOM 1700 O SER B 74 43.356 -21.634 -23.301 1.00 38.95 O ATOM 1701 CB SER B 74 41.890 -24.181 -21.937 1.00 39.01 C ATOM 1702 OG SER B 74 40.499 -24.185 -22.223 1.00 41.62 O ATOM 1703 H SER B 74 40.501 -22.867 -20.400 1.00 20.00 H ATOM 1704 HG SER B 74 40.275 -24.742 -22.991 1.00 20.00 H ATOM 1705 N LYS B 75 41.154 -21.318 -23.130 1.00 34.87 N ATOM 1706 CA LYS B 75 41.133 -20.371 -24.239 1.00 32.25 C ATOM 1707 C LYS B 75 41.598 -18.967 -23.853 1.00 28.70 C ATOM 1708 O LYS B 75 41.785 -18.147 -24.755 1.00 29.16 O ATOM 1709 CB LYS B 75 39.727 -20.252 -24.830 1.00 33.91 C ATOM 1710 CG LYS B 75 39.196 -21.590 -25.338 1.00 41.52 C ATOM 1711 CD LYS B 75 37.987 -21.548 -26.296 1.00 46.28 C ATOM 1712 CE LYS B 75 36.783 -20.729 -25.797 1.00 50.61 C ATOM 1713 NZ LYS B 75 35.515 -21.370 -26.112 1.00 52.05 N ATOM 1714 H LYS B 75 40.330 -21.590 -22.682 1.00 20.00 H ATOM 1715 HZ1 LYS B 75 35.421 -21.508 -27.140 1.00 20.00 H ATOM 1716 HZ2 LYS B 75 35.492 -22.296 -25.639 1.00 20.00 H ATOM 1717 HZ3 LYS B 75 34.734 -20.777 -25.769 1.00 20.00 H ATOM 1718 N SER B 76 41.771 -18.683 -22.546 1.00 25.69 N ATOM 1719 CA SER B 76 42.103 -17.387 -21.977 1.00 23.15 C ATOM 1720 C SER B 76 41.089 -16.305 -22.314 1.00 21.94 C ATOM 1721 O SER B 76 41.408 -15.149 -22.630 1.00 21.70 O ATOM 1722 CB SER B 76 43.496 -16.954 -22.421 1.00 22.43 C ATOM 1723 OG SER B 76 44.406 -17.774 -21.703 1.00 28.15 O ATOM 1724 H SER B 76 41.617 -19.401 -21.900 1.00 20.00 H ATOM 1725 HG SER B 76 45.244 -17.270 -21.665 1.00 20.00 H ATOM 1726 N GLN B 77 39.811 -16.707 -22.237 1.00 19.44 N ATOM 1727 CA GLN B 77 38.722 -15.807 -22.580 1.00 20.80 C ATOM 1728 C GLN B 77 37.676 -15.704 -21.488 1.00 19.61 C ATOM 1729 O GLN B 77 37.405 -16.711 -20.825 1.00 19.67 O ATOM 1730 CB GLN B 77 38.007 -16.253 -23.829 1.00 20.67 C ATOM 1731 CG GLN B 77 38.970 -16.138 -24.968 1.00 24.88 C ATOM 1732 CD GLN B 77 38.442 -16.596 -26.299 1.00 27.21 C ATOM 1733 OE1 GLN B 77 38.721 -15.959 -27.320 1.00 29.73 O ATOM 1734 NE2 GLN B 77 37.645 -17.657 -26.368 1.00 23.99 N ATOM 1735 H GLN B 77 39.598 -17.577 -21.829 1.00 20.00 H ATOM 1736 HE21 GLN B 77 37.405 -17.934 -27.278 1.00 0.00 H ATOM 1737 HE22 GLN B 77 37.350 -18.124 -25.560 1.00 0.00 H ATOM 1738 N VAL B 78 37.080 -14.522 -21.357 1.00 18.98 N ATOM 1739 CA VAL B 78 36.040 -14.230 -20.381 1.00 18.12 C ATOM 1740 C VAL B 78 34.902 -13.706 -21.239 1.00 18.13 C ATOM 1741 O VAL B 78 35.185 -12.957 -22.181 1.00 18.61 O ATOM 1742 CB VAL B 78 36.471 -13.107 -19.371 1.00 19.20 C ATOM 1743 CG1 VAL B 78 35.368 -12.822 -18.341 1.00 14.65 C ATOM 1744 CG2 VAL B 78 37.759 -13.538 -18.675 1.00 15.32 C ATOM 1745 H VAL B 78 37.284 -13.821 -22.008 1.00 20.00 H ATOM 1746 N PHE B 79 33.641 -14.007 -20.911 1.00 18.59 N ATOM 1747 CA PHE B 79 32.473 -13.619 -21.679 1.00 20.06 C ATOM 1748 C PHE B 79 31.477 -12.893 -20.803 1.00 20.24 C ATOM 1749 O PHE B 79 31.224 -13.275 -19.657 1.00 21.60 O ATOM 1750 CB PHE B 79 31.740 -14.848 -22.290 1.00 21.76 C ATOM 1751 CG PHE B 79 32.700 -15.831 -22.953 1.00 22.54 C ATOM 1752 CD1 PHE B 79 33.220 -15.572 -24.211 1.00 23.96 C ATOM 1753 CD2 PHE B 79 33.132 -16.933 -22.241 1.00 23.63 C ATOM 1754 CE1 PHE B 79 34.166 -16.423 -24.755 1.00 22.59 C ATOM 1755 CE2 PHE B 79 34.075 -17.777 -22.792 1.00 24.85 C ATOM 1756 CZ PHE B 79 34.595 -17.514 -24.034 1.00 23.09 C ATOM 1757 H PHE B 79 33.468 -14.453 -20.058 1.00 20.00 H ATOM 1758 N LEU B 80 30.910 -11.832 -21.347 1.00 19.56 N ATOM 1759 CA LEU B 80 29.825 -11.104 -20.708 1.00 20.70 C ATOM 1760 C LEU B 80 28.657 -11.371 -21.647 1.00 23.21 C ATOM 1761 O LEU B 80 28.734 -11.171 -22.877 1.00 21.29 O ATOM 1762 CB LEU B 80 30.075 -9.584 -20.655 1.00 20.90 C ATOM 1763 CG LEU B 80 28.942 -8.632 -20.207 1.00 22.67 C ATOM 1764 CD1 LEU B 80 28.633 -8.859 -18.745 1.00 22.32 C ATOM 1765 CD2 LEU B 80 29.358 -7.184 -20.371 1.00 21.34 C ATOM 1766 H LEU B 80 31.116 -11.606 -22.282 1.00 20.00 H ATOM 1767 N LYS B 81 27.576 -11.854 -21.070 1.00 24.98 N ATOM 1768 CA LYS B 81 26.367 -12.112 -21.826 1.00 28.81 C ATOM 1769 C LYS B 81 25.338 -11.225 -21.157 1.00 30.02 C ATOM 1770 O LYS B 81 25.273 -11.117 -19.927 1.00 30.72 O ATOM 1771 CB LYS B 81 26.001 -13.586 -21.726 1.00 31.70 C ATOM 1772 CG LYS B 81 27.005 -14.413 -22.528 1.00 38.07 C ATOM 1773 CD LYS B 81 27.137 -15.885 -22.113 1.00 41.50 C ATOM 1774 CE LYS B 81 28.478 -16.231 -21.423 1.00 41.32 C ATOM 1775 NZ LYS B 81 28.711 -15.498 -20.184 1.00 39.41 N ATOM 1776 H LYS B 81 27.532 -11.923 -20.093 1.00 20.00 H ATOM 1777 HZ1 LYS B 81 27.869 -15.561 -19.574 1.00 20.00 H ATOM 1778 HZ2 LYS B 81 29.530 -15.899 -19.683 1.00 20.00 H ATOM 1779 HZ3 LYS B 81 28.899 -14.499 -20.408 1.00 20.00 H ATOM 1780 N MET B 82 24.578 -10.544 -21.977 1.00 32.25 N ATOM 1781 CA MET B 82 23.597 -9.595 -21.511 1.00 37.97 C ATOM 1782 C MET B 82 22.338 -9.802 -22.346 1.00 38.66 C ATOM 1783 O MET B 82 22.415 -10.085 -23.548 1.00 37.22 O ATOM 1784 CB MET B 82 24.216 -8.226 -21.692 1.00 40.96 C ATOM 1785 CG MET B 82 23.529 -7.074 -21.018 1.00 45.55 C ATOM 1786 SD MET B 82 24.734 -5.729 -20.916 1.00 50.25 S ATOM 1787 CE MET B 82 23.695 -4.726 -19.885 1.00 47.82 C ATOM 1788 H MET B 82 24.646 -10.719 -22.938 1.00 20.00 H ATOM 1789 N ASN B 83 21.149 -9.745 -21.780 1.00 40.23 N ATOM 1790 CA ASN B 83 19.947 -9.915 -22.588 1.00 44.05 C ATOM 1791 C ASN B 83 18.950 -8.851 -22.154 1.00 42.86 C ATOM 1792 O ASN B 83 19.288 -8.021 -21.307 1.00 40.24 O ATOM 1793 CB ASN B 83 19.403 -11.348 -22.409 1.00 47.58 C ATOM 1794 CG ASN B 83 19.006 -11.690 -20.985 1.00 50.78 C ATOM 1795 OD1 ASN B 83 18.022 -11.160 -20.463 1.00 53.73 O ATOM 1796 ND2 ASN B 83 19.732 -12.562 -20.300 1.00 52.35 N ATOM 1797 H ASN B 83 21.074 -9.496 -20.830 1.00 20.00 H ATOM 1798 HD21 ASN B 83 19.455 -12.708 -19.374 1.00 0.00 H ATOM 1799 HD22 ASN B 83 20.503 -12.990 -20.715 1.00 0.00 H ATOM 1800 N SER B 84 17.750 -8.789 -22.750 1.00 42.66 N ATOM 1801 CA SER B 84 16.730 -7.769 -22.479 1.00 41.61 C ATOM 1802 C SER B 84 17.300 -6.357 -22.614 1.00 40.19 C ATOM 1803 O SER B 84 17.160 -5.491 -21.740 1.00 40.97 O ATOM 1804 CB SER B 84 16.156 -7.947 -21.069 1.00 42.32 C ATOM 1805 OG SER B 84 15.724 -9.267 -20.771 1.00 44.83 O ATOM 1806 H SER B 84 17.523 -9.473 -23.408 1.00 20.00 H ATOM 1807 HG SER B 84 16.496 -9.816 -20.545 1.00 20.00 H ATOM 1808 N LEU B 85 17.919 -6.141 -23.770 1.00 40.45 N ATOM 1809 CA LEU B 85 18.653 -4.928 -24.069 1.00 42.04 C ATOM 1810 C LEU B 85 17.763 -3.707 -24.235 1.00 44.01 C ATOM 1811 O LEU B 85 16.660 -3.786 -24.760 1.00 46.67 O ATOM 1812 CB LEU B 85 19.471 -5.166 -25.321 1.00 40.74 C ATOM 1813 CG LEU B 85 20.510 -6.272 -25.260 1.00 40.88 C ATOM 1814 CD1 LEU B 85 21.094 -6.493 -26.640 1.00 39.04 C ATOM 1815 CD2 LEU B 85 21.595 -5.896 -24.271 1.00 42.44 C ATOM 1816 H LEU B 85 17.733 -6.755 -24.507 1.00 20.00 H ATOM 1817 N HIS B 86 18.223 -2.549 -23.777 1.00 44.63 N ATOM 1818 CA HIS B 86 17.444 -1.318 -23.767 1.00 45.13 C ATOM 1819 C HIS B 86 18.373 -0.306 -24.431 1.00 41.39 C ATOM 1820 O HIS B 86 19.586 -0.539 -24.429 1.00 38.37 O ATOM 1821 CB HIS B 86 17.119 -0.839 -22.309 1.00 51.26 C ATOM 1822 CG HIS B 86 16.677 -1.889 -21.270 1.00 58.87 C ATOM 1823 ND1 HIS B 86 15.499 -2.186 -20.693 1.00 62.46 N ATOM 1824 CD2 HIS B 86 17.565 -2.804 -20.758 1.00 60.48 C ATOM 1825 CE1 HIS B 86 15.649 -3.224 -19.890 1.00 61.84 C ATOM 1826 NE2 HIS B 86 16.899 -3.582 -19.944 1.00 61.83 N ATOM 1827 H HIS B 86 19.187 -2.477 -23.617 1.00 20.00 H ATOM 1828 HD1 HIS B 86 14.650 -1.683 -20.716 1.00 20.00 H ATOM 1829 HE2 HIS B 86 17.216 -4.472 -19.677 1.00 20.00 H ATOM 1830 N THR B 87 17.951 0.841 -24.966 1.00 37.58 N ATOM 1831 CA THR B 87 18.883 1.796 -25.556 1.00 37.74 C ATOM 1832 C THR B 87 19.847 2.429 -24.567 1.00 33.31 C ATOM 1833 O THR B 87 20.916 2.894 -24.945 1.00 30.90 O ATOM 1834 CB THR B 87 18.114 2.905 -26.273 1.00 40.64 C ATOM 1835 OG1 THR B 87 17.036 3.278 -25.411 1.00 44.70 O ATOM 1836 CG2 THR B 87 17.648 2.464 -27.662 1.00 42.50 C ATOM 1837 H THR B 87 16.997 1.062 -25.032 1.00 20.00 H ATOM 1838 HG1 THR B 87 16.623 4.057 -25.794 1.00 20.00 H ATOM 1839 N ASP B 88 19.519 2.436 -23.273 1.00 33.88 N ATOM 1840 CA ASP B 88 20.434 2.943 -22.265 1.00 34.06 C ATOM 1841 C ASP B 88 21.599 2.016 -21.976 1.00 30.07 C ATOM 1842 O ASP B 88 22.459 2.351 -21.168 1.00 29.93 O ATOM 1843 CB ASP B 88 19.667 3.252 -20.980 1.00 36.70 C ATOM 1844 CG ASP B 88 18.705 4.418 -21.193 1.00 42.30 C ATOM 1845 OD1 ASP B 88 19.073 5.462 -21.752 1.00 43.35 O ATOM 1846 OD2 ASP B 88 17.553 4.254 -20.819 1.00 45.96 O ATOM 1847 H ASP B 88 18.611 2.176 -23.026 1.00 20.00 H ATOM 1848 N ASP B 89 21.635 0.862 -22.647 1.00 27.06 N ATOM 1849 CA ASP B 89 22.790 -0.034 -22.632 1.00 28.97 C ATOM 1850 C ASP B 89 23.842 0.381 -23.675 1.00 25.90 C ATOM 1851 O ASP B 89 24.880 -0.268 -23.795 1.00 25.58 O ATOM 1852 CB ASP B 89 22.350 -1.496 -22.912 1.00 28.29 C ATOM 1853 CG ASP B 89 21.489 -2.140 -21.831 1.00 28.53 C ATOM 1854 OD1 ASP B 89 21.618 -1.788 -20.666 1.00 28.81 O ATOM 1855 OD2 ASP B 89 20.695 -3.017 -22.146 1.00 26.95 O ATOM 1856 H ASP B 89 20.876 0.590 -23.204 1.00 20.00 H ATOM 1857 N THR B 90 23.601 1.442 -24.463 1.00 22.88 N ATOM 1858 CA THR B 90 24.568 1.932 -25.444 1.00 23.95 C ATOM 1859 C THR B 90 25.749 2.484 -24.661 1.00 21.35 C ATOM 1860 O THR B 90 25.557 3.389 -23.846 1.00 21.53 O ATOM 1861 CB THR B 90 23.921 3.047 -26.331 1.00 25.74 C ATOM 1862 OG1 THR B 90 22.864 2.377 -27.026 1.00 26.97 O ATOM 1863 CG2 THR B 90 24.879 3.757 -27.288 1.00 23.62 C ATOM 1864 H THR B 90 22.776 1.945 -24.331 1.00 20.00 H ATOM 1865 HG1 THR B 90 22.117 2.450 -26.408 1.00 20.00 H ATOM 1866 N ALA B 91 26.953 1.959 -24.875 1.00 21.72 N ATOM 1867 CA ALA B 91 28.104 2.354 -24.089 1.00 22.19 C ATOM 1868 C ALA B 91 29.372 1.756 -24.678 1.00 19.48 C ATOM 1869 O ALA B 91 29.361 0.999 -25.645 1.00 19.01 O ATOM 1870 CB ALA B 91 27.947 1.832 -22.652 1.00 17.84 C ATOM 1871 H ALA B 91 27.070 1.244 -25.539 1.00 20.00 H ATOM 1872 N ARG B 92 30.492 2.155 -24.114 1.00 20.12 N ATOM 1873 CA ARG B 92 31.753 1.497 -24.365 1.00 18.84 C ATOM 1874 C ARG B 92 31.905 0.484 -23.236 1.00 16.51 C ATOM 1875 O ARG B 92 31.730 0.859 -22.080 1.00 16.79 O ATOM 1876 CB ARG B 92 32.859 2.504 -24.310 1.00 19.79 C ATOM 1877 CG ARG B 92 34.146 1.860 -24.752 1.00 24.39 C ATOM 1878 CD ARG B 92 35.141 2.945 -25.026 1.00 29.03 C ATOM 1879 NE ARG B 92 36.167 2.312 -25.819 1.00 36.81 N ATOM 1880 CZ ARG B 92 36.198 2.397 -27.151 1.00 38.65 C ATOM 1881 NH1 ARG B 92 35.325 3.148 -27.827 1.00 40.45 N ATOM 1882 NH2 ARG B 92 37.151 1.735 -27.804 1.00 39.51 N ATOM 1883 H ARG B 92 30.467 2.888 -23.465 1.00 20.00 H ATOM 1884 HE ARG B 92 36.846 1.783 -25.354 1.00 20.00 H ATOM 1885 HH11 ARG B 92 34.614 3.665 -27.352 1.00 0.00 H ATOM 1886 HH12 ARG B 92 35.380 3.188 -28.824 1.00 0.00 H ATOM 1887 HH21 ARG B 92 37.811 1.182 -27.296 1.00 0.00 H ATOM 1888 HH22 ARG B 92 37.191 1.781 -28.801 1.00 0.00 H ATOM 1889 N TYR B 93 32.220 -0.772 -23.534 1.00 16.86 N ATOM 1890 CA TYR B 93 32.302 -1.842 -22.550 1.00 18.22 C ATOM 1891 C TYR B 93 33.775 -2.198 -22.412 1.00 19.03 C ATOM 1892 O TYR B 93 34.430 -2.301 -23.464 1.00 20.09 O ATOM 1893 CB TYR B 93 31.494 -3.103 -23.010 1.00 17.04 C ATOM 1894 CG TYR B 93 30.000 -2.919 -22.825 1.00 18.30 C ATOM 1895 CD1 TYR B 93 29.281 -2.100 -23.691 1.00 17.07 C ATOM 1896 CD2 TYR B 93 29.373 -3.520 -21.747 1.00 19.14 C ATOM 1897 CE1 TYR B 93 27.935 -1.861 -23.461 1.00 19.34 C ATOM 1898 CE2 TYR B 93 28.023 -3.283 -21.524 1.00 18.71 C ATOM 1899 CZ TYR B 93 27.314 -2.459 -22.374 1.00 19.85 C ATOM 1900 OH TYR B 93 25.984 -2.211 -22.104 1.00 21.23 O ATOM 1901 H TYR B 93 32.561 -0.979 -24.427 1.00 20.00 H ATOM 1902 HH TYR B 93 25.457 -2.988 -22.317 1.00 20.00 H ATOM 1903 N TYR B 94 34.249 -2.443 -21.186 1.00 15.68 N ATOM 1904 CA TYR B 94 35.646 -2.680 -20.868 1.00 14.12 C ATOM 1905 C TYR B 94 35.761 -3.886 -19.995 1.00 13.90 C ATOM 1906 O TYR B 94 34.903 -4.067 -19.123 1.00 15.28 O ATOM 1907 CB TYR B 94 36.307 -1.623 -20.028 1.00 14.26 C ATOM 1908 CG TYR B 94 36.460 -0.221 -20.601 1.00 16.04 C ATOM 1909 CD1 TYR B 94 37.569 0.065 -21.386 1.00 16.50 C ATOM 1910 CD2 TYR B 94 35.511 0.752 -20.309 1.00 17.71 C ATOM 1911 CE1 TYR B 94 37.741 1.337 -21.890 1.00 17.17 C ATOM 1912 CE2 TYR B 94 35.677 2.035 -20.816 1.00 19.45 C ATOM 1913 CZ TYR B 94 36.797 2.299 -21.593 1.00 20.55 C ATOM 1914 OH TYR B 94 37.004 3.566 -22.055 1.00 23.96 O ATOM 1915 H TYR B 94 33.627 -2.682 -20.462 1.00 20.00 H ATOM 1916 HH TYR B 94 36.422 4.174 -21.579 1.00 20.00 H ATOM 1917 N CYS B 95 36.761 -4.748 -20.234 1.00 14.20 N ATOM 1918 CA CYS B 95 37.149 -5.720 -19.250 1.00 13.05 C ATOM 1919 C CYS B 95 38.438 -5.178 -18.638 1.00 14.09 C ATOM 1920 O CYS B 95 39.215 -4.447 -19.310 1.00 16.12 O ATOM 1921 CB CYS B 95 37.343 -7.080 -19.888 1.00 15.85 C ATOM 1922 SG CYS B 95 38.492 -7.300 -21.257 1.00 16.65 S ATOM 1923 H CYS B 95 37.138 -4.881 -21.114 1.00 20.00 H ATOM 1924 N ALA B 96 38.670 -5.454 -17.359 1.00 13.40 N ATOM 1925 CA ALA B 96 39.853 -4.999 -16.655 1.00 12.33 C ATOM 1926 C ALA B 96 40.282 -6.103 -15.699 1.00 13.70 C ATOM 1927 O ALA B 96 39.436 -6.805 -15.115 1.00 14.36 O ATOM 1928 CB ALA B 96 39.570 -3.768 -15.826 1.00 10.00 C ATOM 1929 H ALA B 96 38.067 -6.041 -16.850 1.00 20.00 H ATOM 1930 N ARG B 97 41.589 -6.349 -15.588 1.00 12.97 N ATOM 1931 CA ARG B 97 42.117 -7.298 -14.633 1.00 12.03 C ATOM 1932 C ARG B 97 42.064 -6.729 -13.201 1.00 14.46 C ATOM 1933 O ARG B 97 42.436 -5.571 -12.918 1.00 16.30 O ATOM 1934 CB ARG B 97 43.572 -7.634 -14.990 1.00 11.35 C ATOM 1935 CG ARG B 97 44.068 -8.837 -14.175 1.00 12.20 C ATOM 1936 CD ARG B 97 45.504 -9.186 -14.434 1.00 10.15 C ATOM 1937 NE ARG B 97 46.470 -8.305 -13.813 1.00 14.90 N ATOM 1938 CZ ARG B 97 47.753 -8.644 -13.702 1.00 13.92 C ATOM 1939 NH1 ARG B 97 48.190 -9.842 -14.086 1.00 14.34 N ATOM 1940 NH2 ARG B 97 48.608 -7.820 -13.102 1.00 16.95 N ATOM 1941 H ARG B 97 42.204 -5.907 -16.211 1.00 20.00 H ATOM 1942 HE ARG B 97 46.173 -7.434 -13.495 1.00 20.00 H ATOM 1943 HH11 ARG B 97 47.526 -10.551 -14.339 1.00 0.00 H ATOM 1944 HH12 ARG B 97 49.152 -10.085 -13.968 1.00 0.00 H ATOM 1945 HH21 ARG B 97 48.288 -6.992 -12.658 1.00 0.00 H ATOM 1946 HH22 ARG B 97 49.560 -8.110 -12.991 1.00 0.00 H ATOM 1947 N GLU B 98 41.586 -7.562 -12.280 1.00 12.47 N ATOM 1948 CA GLU B 98 41.648 -7.217 -10.886 1.00 12.99 C ATOM 1949 C GLU B 98 42.817 -7.978 -10.288 1.00 11.55 C ATOM 1950 O GLU B 98 42.907 -9.213 -10.402 1.00 14.10 O ATOM 1951 CB GLU B 98 40.400 -7.618 -10.144 1.00 14.25 C ATOM 1952 CG GLU B 98 40.452 -7.154 -8.673 1.00 15.05 C ATOM 1953 CD GLU B 98 39.092 -7.121 -7.975 1.00 17.20 C ATOM 1954 OE1 GLU B 98 38.092 -6.939 -8.658 1.00 15.93 O ATOM 1955 OE2 GLU B 98 39.050 -7.260 -6.756 1.00 15.39 O ATOM 1956 H GLU B 98 41.301 -8.455 -12.545 1.00 20.00 H ATOM 1957 N ARG B 99 43.681 -7.248 -9.612 1.00 10.98 N ATOM 1958 CA ARG B 99 44.751 -7.824 -8.850 1.00 11.85 C ATOM 1959 C ARG B 99 44.632 -7.287 -7.430 1.00 10.49 C ATOM 1960 O ARG B 99 44.845 -6.103 -7.200 1.00 11.09 O ATOM 1961 CB ARG B 99 46.067 -7.416 -9.442 1.00 15.40 C ATOM 1962 CG ARG B 99 47.138 -8.143 -8.709 1.00 20.02 C ATOM 1963 CD ARG B 99 48.379 -7.350 -8.849 1.00 22.84 C ATOM 1964 NE ARG B 99 49.340 -8.022 -8.030 1.00 30.25 N ATOM 1965 CZ ARG B 99 50.559 -7.546 -7.851 1.00 35.06 C ATOM 1966 NH1 ARG B 99 51.024 -6.483 -8.527 1.00 37.67 N ATOM 1967 NH2 ARG B 99 51.336 -8.225 -7.018 1.00 37.39 N ATOM 1968 H ARG B 99 43.599 -6.269 -9.620 1.00 20.00 H ATOM 1969 HE ARG B 99 49.108 -8.890 -7.641 1.00 20.00 H ATOM 1970 HH11 ARG B 99 50.452 -6.043 -9.217 1.00 0.00 H ATOM 1971 HH12 ARG B 99 51.948 -6.134 -8.365 1.00 0.00 H ATOM 1972 HH21 ARG B 99 50.977 -9.047 -6.579 1.00 0.00 H ATOM 1973 HH22 ARG B 99 52.257 -7.896 -6.804 1.00 0.00 H ATOM 1974 N ASP B 100 44.224 -8.106 -6.464 1.00 8.92 N ATOM 1975 CA ASP B 100 44.160 -7.700 -5.079 1.00 10.96 C ATOM 1976 C ASP B 100 43.546 -6.307 -4.775 1.00 10.10 C ATOM 1977 O ASP B 100 44.097 -5.418 -4.135 1.00 10.77 O ATOM 1978 CB ASP B 100 45.581 -7.797 -4.494 1.00 9.55 C ATOM 1979 CG ASP B 100 45.614 -7.785 -2.979 1.00 12.58 C ATOM 1980 OD1 ASP B 100 44.706 -8.363 -2.378 1.00 12.97 O ATOM 1981 OD2 ASP B 100 46.531 -7.213 -2.416 1.00 14.49 O ATOM 1982 H ASP B 100 43.827 -8.971 -6.728 1.00 20.00 H ATOM 1983 N TYR B 101 42.289 -6.227 -5.245 1.00 9.35 N ATOM 1984 CA TYR B 101 41.403 -5.080 -5.045 1.00 10.99 C ATOM 1985 C TYR B 101 41.802 -3.751 -5.704 1.00 13.35 C ATOM 1986 O TYR B 101 41.624 -2.657 -5.149 1.00 11.81 O ATOM 1987 CB TYR B 101 41.157 -4.919 -3.480 1.00 12.47 C ATOM 1988 CG TYR B 101 40.623 -6.223 -2.907 1.00 11.97 C ATOM 1989 CD1 TYR B 101 39.279 -6.545 -3.045 1.00 12.15 C ATOM 1990 CD2 TYR B 101 41.500 -7.152 -2.370 1.00 11.69 C ATOM 1991 CE1 TYR B 101 38.829 -7.807 -2.642 1.00 12.70 C ATOM 1992 CE2 TYR B 101 41.078 -8.405 -1.977 1.00 10.72 C ATOM 1993 CZ TYR B 101 39.734 -8.711 -2.132 1.00 14.73 C ATOM 1994 OH TYR B 101 39.288 -9.962 -1.788 1.00 15.75 O ATOM 1995 H TYR B 101 41.913 -7.044 -5.645 1.00 20.00 H ATOM 1996 HH TYR B 101 39.058 -10.406 -2.624 1.00 20.00 H ATOM 1997 N ARG B 102 42.342 -3.854 -6.923 1.00 11.06 N ATOM 1998 CA ARG B 102 42.533 -2.714 -7.815 1.00 14.20 C ATOM 1999 C ARG B 102 42.523 -3.258 -9.243 1.00 13.07 C ATOM 2000 O ARG B 102 42.897 -4.403 -9.502 1.00 15.89 O ATOM 2001 CB ARG B 102 43.864 -1.953 -7.572 1.00 11.86 C ATOM 2002 CG ARG B 102 45.206 -2.684 -7.664 1.00 12.63 C ATOM 2003 CD ARG B 102 45.592 -3.273 -6.327 1.00 15.12 C ATOM 2004 NE ARG B 102 46.975 -3.706 -6.406 1.00 15.40 N ATOM 2005 CZ ARG B 102 47.614 -4.327 -5.430 1.00 18.53 C ATOM 2006 NH1 ARG B 102 46.991 -4.657 -4.290 1.00 19.28 N ATOM 2007 NH2 ARG B 102 48.901 -4.633 -5.628 1.00 18.42 N ATOM 2008 H ARG B 102 42.653 -4.728 -7.244 1.00 20.00 H ATOM 2009 HE ARG B 102 47.453 -3.572 -7.249 1.00 20.00 H ATOM 2010 HH11 ARG B 102 46.021 -4.455 -4.158 1.00 0.00 H ATOM 2011 HH12 ARG B 102 47.480 -5.166 -3.585 1.00 0.00 H ATOM 2012 HH21 ARG B 102 49.324 -4.390 -6.501 1.00 0.00 H ATOM 2013 HH22 ARG B 102 49.431 -5.116 -4.931 1.00 0.00 H ATOM 2014 N LEU B 103 42.057 -2.449 -10.194 1.00 14.39 N ATOM 2015 CA LEU B 103 41.969 -2.842 -11.594 1.00 12.07 C ATOM 2016 C LEU B 103 43.193 -2.218 -12.251 1.00 11.41 C ATOM 2017 O LEU B 103 43.254 -1.025 -12.571 1.00 12.76 O ATOM 2018 CB LEU B 103 40.650 -2.320 -12.190 1.00 11.74 C ATOM 2019 CG LEU B 103 39.338 -2.733 -11.475 1.00 14.47 C ATOM 2020 CD1 LEU B 103 38.179 -2.301 -12.345 1.00 15.31 C ATOM 2021 CD2 LEU B 103 39.262 -4.226 -11.233 1.00 11.26 C ATOM 2022 H LEU B 103 41.927 -1.497 -9.984 1.00 20.00 H ATOM 2023 N ASP B 104 44.188 -3.085 -12.387 1.00 12.63 N ATOM 2024 CA ASP B 104 45.471 -2.589 -12.824 1.00 14.17 C ATOM 2025 C ASP B 104 45.671 -2.579 -14.327 1.00 15.27 C ATOM 2026 O ASP B 104 46.493 -1.810 -14.800 1.00 17.63 O ATOM 2027 CB ASP B 104 46.561 -3.401 -12.163 1.00 14.29 C ATOM 2028 CG ASP B 104 46.590 -4.921 -12.341 1.00 13.69 C ATOM 2029 OD1 ASP B 104 45.727 -5.535 -12.969 1.00 14.21 O ATOM 2030 OD2 ASP B 104 47.524 -5.502 -11.822 1.00 16.01 O ATOM 2031 H ASP B 104 43.976 -4.050 -12.351 1.00 20.00 H ATOM 2032 N TYR B 105 44.976 -3.359 -15.126 1.00 13.57 N ATOM 2033 CA TYR B 105 45.170 -3.377 -16.560 1.00 15.91 C ATOM 2034 C TYR B 105 43.785 -3.405 -17.149 1.00 15.99 C ATOM 2035 O TYR B 105 42.941 -4.190 -16.704 1.00 16.72 O ATOM 2036 CB TYR B 105 45.933 -4.623 -17.040 1.00 17.32 C ATOM 2037 CG TYR B 105 47.403 -4.504 -16.739 1.00 21.00 C ATOM 2038 CD1 TYR B 105 48.232 -3.738 -17.536 1.00 21.58 C ATOM 2039 CD2 TYR B 105 47.899 -5.171 -15.633 1.00 22.58 C ATOM 2040 CE1 TYR B 105 49.571 -3.637 -17.207 1.00 25.94 C ATOM 2041 CE2 TYR B 105 49.231 -5.076 -15.295 1.00 25.81 C ATOM 2042 CZ TYR B 105 50.061 -4.309 -16.090 1.00 29.33 C ATOM 2043 OH TYR B 105 51.404 -4.234 -15.739 1.00 31.75 O ATOM 2044 H TYR B 105 44.223 -3.862 -14.766 1.00 20.00 H ATOM 2045 HH TYR B 105 51.844 -3.634 -16.347 1.00 20.00 H ATOM 2046 N TRP B 106 43.561 -2.582 -18.163 1.00 15.76 N ATOM 2047 CA TRP B 106 42.285 -2.382 -18.799 1.00 13.64 C ATOM 2048 C TRP B 106 42.423 -2.617 -20.283 1.00 14.52 C ATOM 2049 O TRP B 106 43.464 -2.344 -20.901 1.00 15.79 O ATOM 2050 CB TRP B 106 41.785 -0.947 -18.600 1.00 14.35 C ATOM 2051 CG TRP B 106 41.375 -0.536 -17.195 1.00 14.89 C ATOM 2052 CD1 TRP B 106 42.270 -0.422 -16.158 1.00 14.87 C ATOM 2053 CD2 TRP B 106 40.096 -0.189 -16.823 1.00 16.49 C ATOM 2054 NE1 TRP B 106 41.567 -0.006 -15.138 1.00 15.77 N ATOM 2055 CE2 TRP B 106 40.274 0.150 -15.483 1.00 16.35 C ATOM 2056 CE3 TRP B 106 38.841 -0.112 -17.402 1.00 15.73 C ATOM 2057 CZ2 TRP B 106 39.199 0.565 -14.708 1.00 17.44 C ATOM 2058 CZ3 TRP B 106 37.774 0.306 -16.627 1.00 18.35 C ATOM 2059 CH2 TRP B 106 37.951 0.639 -15.295 1.00 15.08 C ATOM 2060 H TRP B 106 44.336 -2.138 -18.570 1.00 20.00 H ATOM 2061 HE1 TRP B 106 41.918 0.018 -14.220 1.00 20.00 H ATOM 2062 N GLY B 107 41.368 -3.132 -20.882 1.00 14.74 N ATOM 2063 CA GLY B 107 41.345 -3.259 -22.322 1.00 17.39 C ATOM 2064 C GLY B 107 41.007 -1.899 -22.940 1.00 19.56 C ATOM 2065 O GLY B 107 40.738 -0.927 -22.216 1.00 15.81 O ATOM 2066 H GLY B 107 40.600 -3.428 -20.349 1.00 20.00 H ATOM 2067 N GLN B 108 40.965 -1.810 -24.278 1.00 20.72 N ATOM 2068 CA GLN B 108 40.604 -0.570 -24.965 1.00 23.22 C ATOM 2069 C GLN B 108 39.116 -0.269 -25.001 1.00 19.40 C ATOM 2070 O GLN B 108 38.715 0.883 -25.134 1.00 21.41 O ATOM 2071 CB GLN B 108 41.147 -0.606 -26.386 1.00 30.06 C ATOM 2072 CG GLN B 108 42.581 -0.117 -26.343 1.00 42.64 C ATOM 2073 CD GLN B 108 43.180 0.265 -27.696 1.00 51.02 C ATOM 2074 OE1 GLN B 108 42.492 0.548 -28.688 1.00 54.44 O ATOM 2075 NE2 GLN B 108 44.503 0.302 -27.758 1.00 53.76 N ATOM 2076 H GLN B 108 41.168 -2.603 -24.817 1.00 20.00 H ATOM 2077 HE21 GLN B 108 44.924 0.441 -28.626 1.00 0.00 H ATOM 2078 HE22 GLN B 108 45.009 0.144 -26.927 1.00 0.00 H ATOM 2079 N GLY B 109 38.299 -1.293 -24.815 1.00 16.80 N ATOM 2080 CA GLY B 109 36.858 -1.184 -24.846 1.00 17.52 C ATOM 2081 C GLY B 109 36.317 -1.502 -26.227 1.00 20.43 C ATOM 2082 O GLY B 109 37.093 -1.523 -27.190 1.00 21.87 O ATOM 2083 H GLY B 109 38.695 -2.168 -24.745 1.00 20.00 H ATOM 2084 N THR B 110 35.032 -1.851 -26.310 1.00 22.05 N ATOM 2085 CA THR B 110 34.316 -2.042 -27.559 1.00 22.66 C ATOM 2086 C THR B 110 33.118 -1.119 -27.418 1.00 21.51 C ATOM 2087 O THR B 110 32.537 -1.071 -26.328 1.00 22.37 O ATOM 2088 CB THR B 110 33.619 -3.407 -27.817 1.00 25.15 C ATOM 2089 OG1 THR B 110 34.001 -4.417 -26.892 1.00 29.20 O ATOM 2090 CG2 THR B 110 33.898 -3.762 -29.248 1.00 24.75 C ATOM 2091 H THR B 110 34.522 -1.972 -25.475 1.00 20.00 H ATOM 2092 HG1 THR B 110 33.612 -4.231 -26.031 1.00 20.00 H ATOM 2093 N THR B 111 32.705 -0.431 -28.465 1.00 23.23 N ATOM 2094 CA THR B 111 31.507 0.386 -28.470 1.00 24.40 C ATOM 2095 C THR B 111 30.289 -0.461 -28.839 1.00 25.25 C ATOM 2096 O THR B 111 30.350 -1.304 -29.746 1.00 23.57 O ATOM 2097 CB THR B 111 31.697 1.491 -29.474 1.00 26.05 C ATOM 2098 OG1 THR B 111 32.899 2.112 -29.078 1.00 29.18 O ATOM 2099 CG2 THR B 111 30.598 2.526 -29.508 1.00 30.22 C ATOM 2100 H THR B 111 33.228 -0.475 -29.294 1.00 20.00 H ATOM 2101 HG1 THR B 111 33.618 1.580 -29.446 1.00 20.00 H ATOM 2102 N LEU B 112 29.187 -0.348 -28.107 1.00 26.79 N ATOM 2103 CA LEU B 112 27.962 -1.032 -28.483 1.00 27.40 C ATOM 2104 C LEU B 112 26.846 -0.006 -28.608 1.00 27.76 C ATOM 2105 O LEU B 112 26.730 0.872 -27.739 1.00 27.06 O ATOM 2106 CB LEU B 112 27.558 -2.067 -27.432 1.00 29.76 C ATOM 2107 CG LEU B 112 26.304 -2.839 -27.818 1.00 32.19 C ATOM 2108 CD1 LEU B 112 26.656 -3.936 -28.798 1.00 32.24 C ATOM 2109 CD2 LEU B 112 25.665 -3.397 -26.587 1.00 32.10 C ATOM 2110 H LEU B 112 29.195 0.181 -27.286 1.00 20.00 H ATOM 2111 N THR B 113 26.097 -0.017 -29.705 1.00 28.22 N ATOM 2112 CA THR B 113 24.921 0.826 -29.824 1.00 30.65 C ATOM 2113 C THR B 113 23.725 -0.127 -29.830 1.00 32.77 C ATOM 2114 O THR B 113 23.756 -1.195 -30.464 1.00 29.59 O ATOM 2115 CB THR B 113 24.984 1.682 -31.129 1.00 28.51 C ATOM 2116 OG1 THR B 113 26.115 2.543 -30.987 1.00 29.52 O ATOM 2117 CG2 THR B 113 23.766 2.580 -31.351 1.00 28.23 C ATOM 2118 H THR B 113 26.345 -0.576 -30.469 1.00 20.00 H ATOM 2119 HG1 THR B 113 26.877 2.105 -31.411 1.00 20.00 H ATOM 2120 N VAL B 114 22.724 0.195 -29.001 1.00 36.73 N ATOM 2121 CA VAL B 114 21.485 -0.560 -28.980 1.00 40.72 C ATOM 2122 C VAL B 114 20.483 0.254 -29.806 1.00 45.97 C ATOM 2123 O VAL B 114 20.208 1.423 -29.503 1.00 47.22 O ATOM 2124 CB VAL B 114 20.972 -0.739 -27.530 1.00 38.37 C ATOM 2125 CG1 VAL B 114 19.756 -1.665 -27.545 1.00 39.37 C ATOM 2126 CG2 VAL B 114 22.014 -1.369 -26.652 1.00 35.36 C ATOM 2127 H VAL B 114 22.803 0.956 -28.387 1.00 0.00 H ATOM 2128 N SER B 115 19.980 -0.354 -30.874 1.00 52.75 N ATOM 2129 CA SER B 115 19.025 0.230 -31.808 1.00 59.31 C ATOM 2130 C SER B 115 17.537 0.038 -31.446 1.00 61.91 C ATOM 2131 O SER B 115 17.191 -0.073 -30.256 1.00 63.92 O ATOM 2132 CB SER B 115 19.381 -0.386 -33.169 1.00 59.64 C ATOM 2133 OG SER B 115 19.545 -1.807 -33.212 1.00 59.36 O ATOM 2134 H SER B 115 20.224 -1.286 -31.058 1.00 0.00 H ATOM 2135 HG SER B 115 18.668 -2.219 -33.129 1.00 0.00 H ATOM 2136 N SER B 116 16.655 0.080 -32.460 1.00 62.96 N ATOM 2137 CA SER B 116 15.260 -0.278 -32.304 1.00 65.28 C ATOM 2138 C SER B 116 15.167 -1.792 -32.522 1.00 66.96 C ATOM 2139 O SER B 116 14.326 -2.422 -31.880 1.00 70.24 O ATOM 2140 CB SER B 116 14.387 0.444 -33.333 1.00 65.65 C ATOM 2141 OG SER B 116 14.328 1.850 -33.106 1.00 65.70 O ATOM 2142 OXT SER B 116 15.971 -2.353 -33.275 1.00 66.46 O ATOM 2143 H SER B 116 16.955 0.254 -33.367 1.00 0.00 H ATOM 2144 HG SER B 116 15.248 2.101 -32.938 1.00 0.00 H TER 2145 SER B 116 ATOM 2146 N LYS C 1 48.663 -22.240 20.466 1.00 36.01 N ATOM 2147 CA LYS C 1 47.507 -21.390 20.361 1.00 36.54 C ATOM 2148 C LYS C 1 46.899 -21.579 18.974 1.00 35.09 C ATOM 2149 O LYS C 1 47.616 -21.633 17.973 1.00 34.24 O ATOM 2150 CB LYS C 1 47.925 -19.932 20.555 1.00 37.91 C ATOM 2151 CG LYS C 1 46.759 -18.965 20.520 1.00 38.48 C ATOM 2152 CD LYS C 1 47.199 -17.570 20.867 1.00 38.76 C ATOM 2153 CE LYS C 1 45.926 -16.744 20.939 1.00 40.10 C ATOM 2154 NZ LYS C 1 46.219 -15.372 21.323 1.00 39.93 N ATOM 2155 H1 LYS C 1 49.232 -22.123 19.601 1.00 20.00 H ATOM 2156 H2 LYS C 1 49.228 -22.057 21.312 1.00 20.00 H ATOM 2157 H3 LYS C 1 48.346 -23.231 20.513 1.00 20.00 H ATOM 2158 HZ1 LYS C 1 46.881 -14.940 20.646 1.00 20.00 H ATOM 2159 HZ2 LYS C 1 45.328 -14.835 21.329 1.00 20.00 H ATOM 2160 HZ3 LYS C 1 46.644 -15.367 22.273 1.00 20.00 H ATOM 2161 N VAL C 2 45.593 -21.760 18.890 1.00 32.30 N ATOM 2162 CA VAL C 2 44.914 -21.746 17.622 1.00 29.76 C ATOM 2163 C VAL C 2 44.168 -20.418 17.677 1.00 30.35 C ATOM 2164 O VAL C 2 43.475 -20.100 18.645 1.00 32.46 O ATOM 2165 CB VAL C 2 43.936 -22.920 17.487 1.00 29.33 C ATOM 2166 CG1 VAL C 2 43.215 -22.811 16.135 1.00 26.97 C ATOM 2167 CG2 VAL C 2 44.691 -24.248 17.592 1.00 27.84 C ATOM 2168 H VAL C 2 45.043 -21.805 19.705 1.00 20.00 H ATOM 2169 N PHE C 3 44.407 -19.561 16.699 1.00 29.50 N ATOM 2170 CA PHE C 3 43.753 -18.269 16.602 1.00 26.11 C ATOM 2171 C PHE C 3 42.385 -18.335 15.938 1.00 23.89 C ATOM 2172 O PHE C 3 42.086 -19.196 15.115 1.00 24.93 O ATOM 2173 CB PHE C 3 44.580 -17.303 15.773 1.00 25.99 C ATOM 2174 CG PHE C 3 45.724 -16.598 16.466 1.00 26.05 C ATOM 2175 CD1 PHE C 3 46.979 -17.170 16.520 1.00 25.48 C ATOM 2176 CD2 PHE C 3 45.498 -15.353 17.020 1.00 26.93 C ATOM 2177 CE1 PHE C 3 48.006 -16.472 17.133 1.00 27.73 C ATOM 2178 CE2 PHE C 3 46.531 -14.665 17.630 1.00 26.60 C ATOM 2179 CZ PHE C 3 47.789 -15.222 17.690 1.00 27.73 C ATOM 2180 H PHE C 3 45.009 -19.841 15.977 1.00 20.00 H ATOM 2181 N GLY C 4 41.567 -17.354 16.258 1.00 26.39 N ATOM 2182 CA GLY C 4 40.337 -17.122 15.534 1.00 27.03 C ATOM 2183 C GLY C 4 40.734 -16.202 14.373 1.00 26.18 C ATOM 2184 O GLY C 4 41.766 -15.509 14.467 1.00 24.78 O ATOM 2185 H GLY C 4 41.860 -16.677 16.891 1.00 20.00 H ATOM 2186 N ARG C 5 39.967 -16.149 13.278 1.00 22.51 N ATOM 2187 CA ARG C 5 40.343 -15.301 12.163 1.00 22.47 C ATOM 2188 C ARG C 5 40.456 -13.820 12.513 1.00 21.52 C ATOM 2189 O ARG C 5 41.470 -13.200 12.174 1.00 20.79 O ATOM 2190 CB ARG C 5 39.344 -15.503 11.002 1.00 22.09 C ATOM 2191 CG ARG C 5 37.900 -15.040 11.127 1.00 21.90 C ATOM 2192 CD ARG C 5 37.273 -15.688 9.923 1.00 21.25 C ATOM 2193 NE ARG C 5 35.894 -15.324 9.605 1.00 24.67 N ATOM 2194 CZ ARG C 5 34.830 -15.838 10.230 1.00 22.50 C ATOM 2195 NH1 ARG C 5 34.944 -16.591 11.335 1.00 24.83 N ATOM 2196 NH2 ARG C 5 33.628 -15.518 9.767 1.00 21.28 N ATOM 2197 H ARG C 5 39.177 -16.732 13.208 1.00 20.00 H ATOM 2198 HE ARG C 5 35.721 -14.701 8.869 1.00 20.00 H ATOM 2199 HH11 ARG C 5 35.843 -16.782 11.729 1.00 0.00 H ATOM 2200 HH12 ARG C 5 34.130 -16.976 11.771 1.00 0.00 H ATOM 2201 HH21 ARG C 5 33.539 -14.913 8.978 1.00 0.00 H ATOM 2202 HH22 ARG C 5 32.815 -15.928 10.178 1.00 0.00 H ATOM 2203 N CYS C 6 39.523 -13.240 13.275 1.00 22.89 N ATOM 2204 CA CYS C 6 39.576 -11.815 13.579 1.00 23.02 C ATOM 2205 C CYS C 6 40.746 -11.410 14.461 1.00 23.84 C ATOM 2206 O CYS C 6 41.366 -10.347 14.289 1.00 22.05 O ATOM 2207 CB CYS C 6 38.295 -11.353 14.266 1.00 23.64 C ATOM 2208 SG CYS C 6 36.871 -11.479 13.162 1.00 25.03 S ATOM 2209 H CYS C 6 38.793 -13.792 13.627 1.00 20.00 H ATOM 2210 N GLU C 7 41.002 -12.241 15.472 1.00 24.51 N ATOM 2211 CA GLU C 7 42.115 -12.063 16.383 1.00 27.69 C ATOM 2212 C GLU C 7 43.434 -12.154 15.616 1.00 24.47 C ATOM 2213 O GLU C 7 44.272 -11.263 15.800 1.00 23.69 O ATOM 2214 CB GLU C 7 41.970 -13.132 17.449 1.00 30.16 C ATOM 2215 CG GLU C 7 43.049 -13.174 18.505 1.00 37.69 C ATOM 2216 CD GLU C 7 42.975 -14.406 19.409 1.00 42.24 C ATOM 2217 OE1 GLU C 7 42.647 -15.514 18.956 1.00 41.72 O ATOM 2218 OE2 GLU C 7 43.278 -14.241 20.589 1.00 47.50 O ATOM 2219 H GLU C 7 40.336 -12.934 15.691 1.00 20.00 H ATOM 2220 N LEU C 8 43.642 -13.148 14.745 1.00 21.84 N ATOM 2221 CA LEU C 8 44.847 -13.185 13.943 1.00 20.06 C ATOM 2222 C LEU C 8 44.925 -11.927 13.060 1.00 21.18 C ATOM 2223 O LEU C 8 45.938 -11.229 13.075 1.00 23.65 O ATOM 2224 CB LEU C 8 44.829 -14.447 13.110 1.00 19.35 C ATOM 2225 CG LEU C 8 46.073 -14.702 12.265 1.00 19.72 C ATOM 2226 CD1 LEU C 8 47.327 -14.867 13.107 1.00 21.08 C ATOM 2227 CD2 LEU C 8 45.837 -15.949 11.492 1.00 21.08 C ATOM 2228 H LEU C 8 42.970 -13.861 14.659 1.00 20.00 H ATOM 2229 N ALA C 9 43.866 -11.525 12.360 1.00 18.88 N ATOM 2230 CA ALA C 9 43.824 -10.313 11.542 1.00 20.94 C ATOM 2231 C ALA C 9 44.255 -9.029 12.272 1.00 22.68 C ATOM 2232 O ALA C 9 45.063 -8.224 11.775 1.00 20.44 O ATOM 2233 CB ALA C 9 42.400 -10.125 11.022 1.00 20.10 C ATOM 2234 H ALA C 9 43.111 -12.146 12.305 1.00 20.00 H ATOM 2235 N ALA C 10 43.722 -8.830 13.478 1.00 21.41 N ATOM 2236 CA ALA C 10 44.083 -7.706 14.309 1.00 21.67 C ATOM 2237 C ALA C 10 45.556 -7.765 14.694 1.00 19.43 C ATOM 2238 O ALA C 10 46.271 -6.755 14.601 1.00 22.11 O ATOM 2239 CB ALA C 10 43.217 -7.733 15.548 1.00 22.13 C ATOM 2240 H ALA C 10 43.013 -9.438 13.771 1.00 20.00 H ATOM 2241 N ALA C 11 46.065 -8.939 15.049 1.00 18.66 N ATOM 2242 CA ALA C 11 47.470 -9.051 15.393 1.00 21.04 C ATOM 2243 C ALA C 11 48.376 -8.803 14.181 1.00 23.11 C ATOM 2244 O ALA C 11 49.463 -8.210 14.312 1.00 23.74 O ATOM 2245 CB ALA C 11 47.758 -10.450 15.967 1.00 20.23 C ATOM 2246 H ALA C 11 45.489 -9.735 15.069 1.00 20.00 H ATOM 2247 N MET C 12 47.960 -9.240 12.994 1.00 22.81 N ATOM 2248 CA MET C 12 48.715 -9.040 11.763 1.00 24.87 C ATOM 2249 C MET C 12 48.742 -7.581 11.339 1.00 24.25 C ATOM 2250 O MET C 12 49.784 -7.076 10.890 1.00 22.96 O ATOM 2251 CB MET C 12 48.131 -9.876 10.614 1.00 22.54 C ATOM 2252 CG MET C 12 48.590 -11.302 10.770 1.00 21.24 C ATOM 2253 SD MET C 12 47.907 -12.404 9.529 1.00 23.41 S ATOM 2254 CE MET C 12 49.276 -13.529 9.412 1.00 22.60 C ATOM 2255 H MET C 12 47.110 -9.721 12.949 1.00 20.00 H ATOM 2256 N LYS C 13 47.623 -6.883 11.500 1.00 24.48 N ATOM 2257 CA LYS C 13 47.578 -5.476 11.182 1.00 27.79 C ATOM 2258 C LYS C 13 48.493 -4.709 12.135 1.00 28.74 C ATOM 2259 O LYS C 13 49.243 -3.831 11.702 1.00 28.90 O ATOM 2260 CB LYS C 13 46.140 -4.968 11.291 1.00 30.34 C ATOM 2261 CG LYS C 13 45.995 -3.543 10.760 1.00 33.25 C ATOM 2262 CD LYS C 13 44.556 -3.090 10.729 1.00 37.59 C ATOM 2263 CE LYS C 13 44.470 -1.721 10.046 1.00 42.57 C ATOM 2264 NZ LYS C 13 43.096 -1.248 10.005 1.00 45.46 N ATOM 2265 H LYS C 13 46.807 -7.327 11.812 1.00 20.00 H ATOM 2266 HZ1 LYS C 13 42.521 -1.945 9.492 1.00 20.00 H ATOM 2267 HZ2 LYS C 13 42.746 -1.155 10.979 1.00 20.00 H ATOM 2268 HZ3 LYS C 13 43.049 -0.328 9.524 1.00 20.00 H ATOM 2269 N ARG C 14 48.471 -5.018 13.432 1.00 31.41 N ATOM 2270 CA ARG C 14 49.383 -4.396 14.394 1.00 34.47 C ATOM 2271 C ARG C 14 50.840 -4.627 14.004 1.00 31.15 C ATOM 2272 O ARG C 14 51.701 -3.801 14.264 1.00 31.75 O ATOM 2273 CB ARG C 14 49.232 -4.959 15.813 1.00 37.18 C ATOM 2274 CG ARG C 14 47.922 -4.575 16.480 1.00 45.31 C ATOM 2275 CD ARG C 14 47.986 -4.840 17.979 1.00 48.20 C ATOM 2276 NE ARG C 14 48.248 -6.236 18.322 1.00 54.35 N ATOM 2277 CZ ARG C 14 47.273 -7.126 18.579 1.00 55.22 C ATOM 2278 NH1 ARG C 14 45.982 -6.821 18.426 1.00 53.91 N ATOM 2279 NH2 ARG C 14 47.620 -8.365 18.942 1.00 56.71 N ATOM 2280 H ARG C 14 47.772 -5.635 13.745 1.00 20.00 H ATOM 2281 HE ARG C 14 49.178 -6.545 18.358 1.00 20.00 H ATOM 2282 HH11 ARG C 14 45.733 -5.917 18.082 1.00 0.00 H ATOM 2283 HH12 ARG C 14 45.271 -7.489 18.647 1.00 0.00 H ATOM 2284 HH21 ARG C 14 48.588 -8.598 19.026 1.00 0.00 H ATOM 2285 HH22 ARG C 14 46.921 -9.039 19.184 1.00 0.00 H ATOM 2286 N HIS C 15 51.211 -5.736 13.391 1.00 28.74 N ATOM 2287 CA HIS C 15 52.589 -5.923 13.021 1.00 28.43 C ATOM 2288 C HIS C 15 52.923 -5.447 11.612 1.00 26.99 C ATOM 2289 O HIS C 15 53.915 -5.892 11.044 1.00 28.35 O ATOM 2290 CB HIS C 15 52.906 -7.386 13.212 1.00 33.48 C ATOM 2291 CG HIS C 15 52.985 -7.764 14.683 1.00 38.80 C ATOM 2292 ND1 HIS C 15 51.996 -7.983 15.552 1.00 42.65 N ATOM 2293 CD2 HIS C 15 54.160 -7.970 15.348 1.00 40.41 C ATOM 2294 CE1 HIS C 15 52.512 -8.317 16.706 1.00 41.37 C ATOM 2295 NE2 HIS C 15 53.811 -8.305 16.561 1.00 43.72 N ATOM 2296 H HIS C 15 50.534 -6.396 13.142 1.00 20.00 H ATOM 2297 HD1 HIS C 15 51.031 -7.982 15.353 1.00 20.00 H ATOM 2298 HE2 HIS C 15 54.439 -8.638 17.241 1.00 20.00 H ATOM 2299 N GLY C 16 52.139 -4.563 10.996 1.00 24.20 N ATOM 2300 CA GLY C 16 52.473 -3.957 9.711 1.00 22.60 C ATOM 2301 C GLY C 16 52.218 -4.818 8.473 1.00 24.00 C ATOM 2302 O GLY C 16 52.773 -4.523 7.404 1.00 25.69 O ATOM 2303 H GLY C 16 51.303 -4.296 11.430 1.00 20.00 H ATOM 2304 N LEU C 17 51.368 -5.855 8.504 1.00 23.16 N ATOM 2305 CA LEU C 17 51.134 -6.631 7.291 1.00 22.28 C ATOM 2306 C LEU C 17 50.053 -6.107 6.346 1.00 19.95 C ATOM 2307 O LEU C 17 49.989 -6.492 5.164 1.00 19.61 O ATOM 2308 CB LEU C 17 50.829 -8.094 7.672 1.00 21.21 C ATOM 2309 CG LEU C 17 52.060 -8.870 8.197 1.00 22.11 C ATOM 2310 CD1 LEU C 17 51.653 -10.287 8.566 1.00 20.32 C ATOM 2311 CD2 LEU C 17 53.153 -8.896 7.125 1.00 20.57 C ATOM 2312 H LEU C 17 50.845 -6.029 9.313 1.00 20.00 H ATOM 2313 N ASP C 18 49.217 -5.168 6.798 1.00 18.51 N ATOM 2314 CA ASP C 18 48.156 -4.668 5.971 1.00 19.03 C ATOM 2315 C ASP C 18 48.755 -3.781 4.879 1.00 17.60 C ATOM 2316 O ASP C 18 49.316 -2.714 5.142 1.00 20.42 O ATOM 2317 CB ASP C 18 47.184 -3.890 6.832 1.00 20.00 C ATOM 2318 CG ASP C 18 45.966 -3.377 6.077 1.00 22.91 C ATOM 2319 OD1 ASP C 18 45.557 -3.950 5.062 1.00 25.38 O ATOM 2320 OD2 ASP C 18 45.448 -2.352 6.506 1.00 26.78 O ATOM 2321 H ASP C 18 49.394 -4.722 7.657 1.00 20.00 H ATOM 2322 N ASN C 19 48.691 -4.291 3.658 1.00 16.38 N ATOM 2323 CA ASN C 19 49.179 -3.643 2.437 1.00 19.19 C ATOM 2324 C ASN C 19 50.706 -3.650 2.366 1.00 18.99 C ATOM 2325 O ASN C 19 51.340 -2.865 1.639 1.00 20.12 O ATOM 2326 CB ASN C 19 48.666 -2.167 2.313 1.00 19.56 C ATOM 2327 CG ASN C 19 48.769 -1.609 0.894 1.00 17.33 C ATOM 2328 OD1 ASN C 19 48.574 -2.330 -0.086 1.00 20.26 O ATOM 2329 ND2 ASN C 19 49.039 -0.332 0.717 1.00 17.43 N ATOM 2330 H ASN C 19 48.419 -5.228 3.567 1.00 20.00 H ATOM 2331 HD21 ASN C 19 49.072 0.034 -0.190 1.00 0.00 H ATOM 2332 HD22 ASN C 19 49.199 0.219 1.514 1.00 0.00 H ATOM 2333 N TYR C 20 51.344 -4.587 3.082 1.00 17.42 N ATOM 2334 CA TYR C 20 52.788 -4.694 3.049 1.00 17.57 C ATOM 2335 C TYR C 20 53.093 -5.195 1.639 1.00 17.99 C ATOM 2336 O TYR C 20 52.531 -6.185 1.156 1.00 16.30 O ATOM 2337 CB TYR C 20 53.262 -5.689 4.112 1.00 18.24 C ATOM 2338 CG TYR C 20 54.761 -5.916 4.051 1.00 18.92 C ATOM 2339 CD1 TYR C 20 55.624 -4.896 4.364 1.00 21.13 C ATOM 2340 CD2 TYR C 20 55.249 -7.136 3.640 1.00 17.83 C ATOM 2341 CE1 TYR C 20 56.981 -5.096 4.262 1.00 22.27 C ATOM 2342 CE2 TYR C 20 56.604 -7.340 3.538 1.00 19.96 C ATOM 2343 CZ TYR C 20 57.459 -6.310 3.849 1.00 20.94 C ATOM 2344 OH TYR C 20 58.818 -6.486 3.721 1.00 23.75 O ATOM 2345 H TYR C 20 50.827 -5.296 3.531 1.00 20.00 H ATOM 2346 HH TYR C 20 58.976 -7.261 3.157 1.00 20.00 H ATOM 2347 N ARG C 21 53.929 -4.412 0.955 1.00 19.29 N ATOM 2348 CA ARG C 21 54.323 -4.586 -0.448 1.00 19.02 C ATOM 2349 C ARG C 21 53.093 -4.750 -1.332 1.00 17.34 C ATOM 2350 O ARG C 21 53.088 -5.563 -2.260 1.00 18.25 O ATOM 2351 CB ARG C 21 55.211 -5.816 -0.694 1.00 21.58 C ATOM 2352 CG ARG C 21 56.488 -6.056 0.080 1.00 23.70 C ATOM 2353 CD ARG C 21 57.549 -5.061 -0.195 1.00 27.37 C ATOM 2354 NE ARG C 21 58.808 -5.589 0.290 1.00 29.55 N ATOM 2355 CZ ARG C 21 59.740 -4.803 0.834 1.00 31.89 C ATOM 2356 NH1 ARG C 21 59.535 -3.518 1.091 1.00 34.55 N ATOM 2357 NH2 ARG C 21 60.893 -5.334 1.213 1.00 33.43 N ATOM 2358 H ARG C 21 54.320 -3.665 1.445 1.00 20.00 H ATOM 2359 HE ARG C 21 58.963 -6.557 0.268 1.00 20.00 H ATOM 2360 HH11 ARG C 21 58.645 -3.099 0.918 1.00 0.00 H ATOM 2361 HH12 ARG C 21 60.259 -2.987 1.531 1.00 0.00 H ATOM 2362 HH21 ARG C 21 61.037 -6.313 1.080 1.00 0.00 H ATOM 2363 HH22 ARG C 21 61.599 -4.775 1.648 1.00 0.00 H ATOM 2364 N GLY C 22 52.015 -4.006 -1.037 1.00 16.93 N ATOM 2365 CA GLY C 22 50.823 -4.028 -1.856 1.00 15.66 C ATOM 2366 C GLY C 22 49.891 -5.193 -1.603 1.00 15.80 C ATOM 2367 O GLY C 22 48.851 -5.308 -2.272 1.00 17.12 O ATOM 2368 H GLY C 22 52.038 -3.416 -0.255 1.00 20.00 H ATOM 2369 N TYR C 23 50.203 -6.063 -0.646 1.00 16.95 N ATOM 2370 CA TYR C 23 49.326 -7.193 -0.310 1.00 18.18 C ATOM 2371 C TYR C 23 48.289 -6.849 0.755 1.00 17.35 C ATOM 2372 O TYR C 23 48.661 -6.540 1.900 1.00 18.51 O ATOM 2373 CB TYR C 23 50.117 -8.342 0.223 1.00 17.17 C ATOM 2374 CG TYR C 23 50.869 -9.062 -0.872 1.00 17.47 C ATOM 2375 CD1 TYR C 23 50.155 -9.905 -1.717 1.00 16.46 C ATOM 2376 CD2 TYR C 23 52.255 -8.931 -0.965 1.00 17.64 C ATOM 2377 CE1 TYR C 23 50.827 -10.646 -2.669 1.00 17.07 C ATOM 2378 CE2 TYR C 23 52.934 -9.677 -1.918 1.00 17.19 C ATOM 2379 CZ TYR C 23 52.214 -10.528 -2.744 1.00 19.70 C ATOM 2380 OH TYR C 23 52.894 -11.349 -3.621 1.00 20.70 O ATOM 2381 H TYR C 23 51.001 -5.924 -0.088 1.00 20.00 H ATOM 2382 HH TYR C 23 52.257 -11.662 -4.285 1.00 20.00 H ATOM 2383 N SER C 24 46.985 -6.973 0.445 1.00 15.70 N ATOM 2384 CA SER C 24 45.947 -6.610 1.413 1.00 15.75 C ATOM 2385 C SER C 24 45.950 -7.641 2.531 1.00 13.71 C ATOM 2386 O SER C 24 46.361 -8.793 2.301 1.00 13.15 O ATOM 2387 CB SER C 24 44.559 -6.584 0.760 1.00 14.15 C ATOM 2388 OG SER C 24 44.094 -7.861 0.350 1.00 13.04 O ATOM 2389 H SER C 24 46.712 -7.468 -0.348 1.00 20.00 H ATOM 2390 HG SER C 24 43.319 -8.090 0.885 1.00 20.00 H ATOM 2391 N LEU C 25 45.528 -7.226 3.733 1.00 16.58 N ATOM 2392 CA LEU C 25 45.485 -8.079 4.918 1.00 16.26 C ATOM 2393 C LEU C 25 44.875 -9.485 4.764 1.00 14.80 C ATOM 2394 O LEU C 25 45.420 -10.461 5.290 1.00 14.26 O ATOM 2395 CB LEU C 25 44.746 -7.302 6.029 1.00 15.88 C ATOM 2396 CG LEU C 25 44.852 -7.841 7.460 1.00 18.50 C ATOM 2397 CD1 LEU C 25 46.322 -7.879 7.907 1.00 16.77 C ATOM 2398 CD2 LEU C 25 44.006 -6.950 8.376 1.00 18.38 C ATOM 2399 H LEU C 25 45.395 -6.265 3.859 1.00 20.00 H ATOM 2400 N GLY C 26 43.798 -9.640 3.996 1.00 12.06 N ATOM 2401 CA GLY C 26 43.135 -10.923 3.830 1.00 11.96 C ATOM 2402 C GLY C 26 44.049 -11.999 3.262 1.00 13.05 C ATOM 2403 O GLY C 26 43.893 -13.175 3.580 1.00 15.43 O ATOM 2404 H GLY C 26 43.551 -8.902 3.395 1.00 20.00 H ATOM 2405 N ASN C 27 45.043 -11.640 2.442 1.00 12.03 N ATOM 2406 CA ASN C 27 46.019 -12.581 1.884 1.00 12.49 C ATOM 2407 C ASN C 27 46.776 -13.358 2.961 1.00 13.07 C ATOM 2408 O ASN C 27 46.926 -14.588 2.916 1.00 14.54 O ATOM 2409 CB ASN C 27 47.103 -11.872 1.038 1.00 12.93 C ATOM 2410 CG ASN C 27 46.578 -11.378 -0.286 1.00 9.10 C ATOM 2411 OD1 ASN C 27 46.242 -12.178 -1.149 1.00 11.35 O ATOM 2412 ND2 ASN C 27 46.360 -10.079 -0.427 1.00 8.73 N ATOM 2413 H ASN C 27 45.219 -10.683 2.369 1.00 20.00 H ATOM 2414 HD21 ASN C 27 46.004 -9.772 -1.281 1.00 0.00 H ATOM 2415 HD22 ASN C 27 46.489 -9.522 0.360 1.00 0.00 H ATOM 2416 N TRP C 28 47.240 -12.604 3.955 1.00 12.50 N ATOM 2417 CA TRP C 28 47.991 -13.122 5.075 1.00 13.48 C ATOM 2418 C TRP C 28 47.151 -14.015 5.983 1.00 16.80 C ATOM 2419 O TRP C 28 47.632 -15.075 6.398 1.00 15.83 O ATOM 2420 CB TRP C 28 48.562 -11.953 5.843 1.00 14.45 C ATOM 2421 CG TRP C 28 49.410 -11.045 4.961 1.00 18.86 C ATOM 2422 CD1 TRP C 28 48.911 -9.871 4.467 1.00 19.46 C ATOM 2423 CD2 TRP C 28 50.713 -11.261 4.602 1.00 21.22 C ATOM 2424 NE1 TRP C 28 49.895 -9.333 3.808 1.00 20.24 N ATOM 2425 CE2 TRP C 28 50.979 -10.123 3.858 1.00 21.86 C ATOM 2426 CE3 TRP C 28 51.684 -12.238 4.801 1.00 23.64 C ATOM 2427 CZ2 TRP C 28 52.231 -9.932 3.301 1.00 24.68 C ATOM 2428 CZ3 TRP C 28 52.944 -12.052 4.245 1.00 23.13 C ATOM 2429 CH2 TRP C 28 53.202 -10.910 3.501 1.00 25.00 C ATOM 2430 H TRP C 28 47.037 -11.650 3.941 1.00 20.00 H ATOM 2431 HE1 TRP C 28 49.873 -8.416 3.454 1.00 20.00 H ATOM 2432 N VAL C 29 45.879 -13.660 6.224 1.00 16.06 N ATOM 2433 CA VAL C 29 44.997 -14.526 7.012 1.00 18.61 C ATOM 2434 C VAL C 29 44.638 -15.758 6.179 1.00 17.83 C ATOM 2435 O VAL C 29 44.617 -16.873 6.712 1.00 19.85 O ATOM 2436 CB VAL C 29 43.676 -13.788 7.428 1.00 17.94 C ATOM 2437 CG1 VAL C 29 42.763 -14.676 8.303 1.00 17.44 C ATOM 2438 CG2 VAL C 29 44.052 -12.567 8.234 1.00 16.84 C ATOM 2439 H VAL C 29 45.515 -12.881 5.759 1.00 20.00 H ATOM 2440 N CYS C 30 44.454 -15.652 4.860 1.00 16.94 N ATOM 2441 CA CYS C 30 44.098 -16.824 4.073 1.00 16.41 C ATOM 2442 C CYS C 30 45.273 -17.803 4.010 1.00 15.32 C ATOM 2443 O CYS C 30 45.114 -19.026 4.143 1.00 14.31 O ATOM 2444 CB CYS C 30 43.686 -16.375 2.680 1.00 15.16 C ATOM 2445 SG CYS C 30 43.212 -17.747 1.608 1.00 17.36 S ATOM 2446 H CYS C 30 44.630 -14.800 4.401 1.00 20.00 H ATOM 2447 N ALA C 31 46.508 -17.290 3.916 1.00 15.68 N ATOM 2448 CA ALA C 31 47.731 -18.112 3.924 1.00 18.02 C ATOM 2449 C ALA C 31 47.884 -18.928 5.209 1.00 18.21 C ATOM 2450 O ALA C 31 48.105 -20.145 5.131 1.00 18.64 O ATOM 2451 CB ALA C 31 49.006 -17.245 3.777 1.00 16.65 C ATOM 2452 H ALA C 31 46.606 -16.331 3.766 1.00 20.00 H ATOM 2453 N ALA C 32 47.677 -18.298 6.371 1.00 18.59 N ATOM 2454 CA ALA C 32 47.749 -18.969 7.665 1.00 20.10 C ATOM 2455 C ALA C 32 46.672 -20.043 7.774 1.00 21.66 C ATOM 2456 O ALA C 32 46.941 -21.143 8.282 1.00 25.31 O ATOM 2457 CB ALA C 32 47.546 -17.980 8.817 1.00 14.50 C ATOM 2458 H ALA C 32 47.458 -17.341 6.328 1.00 20.00 H ATOM 2459 N LYS C 33 45.464 -19.806 7.268 1.00 20.42 N ATOM 2460 CA LYS C 33 44.396 -20.799 7.312 1.00 22.50 C ATOM 2461 C LYS C 33 44.857 -22.046 6.566 1.00 23.34 C ATOM 2462 O LYS C 33 44.829 -23.151 7.126 1.00 24.13 O ATOM 2463 CB LYS C 33 43.102 -20.250 6.658 1.00 20.98 C ATOM 2464 CG LYS C 33 41.970 -21.283 6.509 1.00 24.09 C ATOM 2465 CD LYS C 33 41.435 -21.761 7.873 1.00 25.44 C ATOM 2466 CE LYS C 33 40.545 -22.980 7.691 1.00 26.11 C ATOM 2467 NZ LYS C 33 39.963 -23.374 8.968 1.00 27.91 N ATOM 2468 H LYS C 33 45.305 -18.963 6.786 1.00 20.00 H ATOM 2469 HZ1 LYS C 33 40.714 -23.562 9.661 1.00 20.00 H ATOM 2470 HZ2 LYS C 33 39.352 -22.607 9.317 1.00 20.00 H ATOM 2471 HZ3 LYS C 33 39.385 -24.228 8.837 1.00 20.00 H ATOM 2472 N PHE C 34 45.344 -21.904 5.336 1.00 23.57 N ATOM 2473 CA PHE C 34 45.729 -23.074 4.574 1.00 24.75 C ATOM 2474 C PHE C 34 47.076 -23.696 4.902 1.00 27.03 C ATOM 2475 O PHE C 34 47.298 -24.868 4.585 1.00 27.09 O ATOM 2476 CB PHE C 34 45.673 -22.721 3.129 1.00 20.75 C ATOM 2477 CG PHE C 34 44.240 -22.606 2.657 1.00 20.73 C ATOM 2478 CD1 PHE C 34 43.479 -23.753 2.491 1.00 23.04 C ATOM 2479 CD2 PHE C 34 43.708 -21.371 2.359 1.00 19.34 C ATOM 2480 CE1 PHE C 34 42.182 -23.649 2.019 1.00 22.22 C ATOM 2481 CE2 PHE C 34 42.415 -21.287 1.885 1.00 19.30 C ATOM 2482 CZ PHE C 34 41.652 -22.419 1.714 1.00 21.66 C ATOM 2483 H PHE C 34 45.458 -21.009 4.935 1.00 20.00 H ATOM 2484 N GLU C 35 47.966 -22.932 5.532 1.00 27.70 N ATOM 2485 CA GLU C 35 49.271 -23.438 5.924 1.00 27.17 C ATOM 2486 C GLU C 35 49.237 -24.124 7.288 1.00 28.25 C ATOM 2487 O GLU C 35 49.603 -25.290 7.409 1.00 29.82 O ATOM 2488 CB GLU C 35 50.312 -22.293 5.971 1.00 23.94 C ATOM 2489 CG GLU C 35 50.750 -21.690 4.639 1.00 26.53 C ATOM 2490 CD GLU C 35 51.444 -22.628 3.642 1.00 30.82 C ATOM 2491 OE1 GLU C 35 51.854 -23.721 4.021 1.00 33.96 O ATOM 2492 OE2 GLU C 35 51.586 -22.279 2.469 1.00 29.82 O ATOM 2493 H GLU C 35 47.766 -21.983 5.674 1.00 20.00 H ATOM 2494 N SER C 36 48.790 -23.446 8.335 1.00 25.67 N ATOM 2495 CA SER C 36 48.822 -24.004 9.657 1.00 25.20 C ATOM 2496 C SER C 36 47.447 -24.258 10.262 1.00 26.62 C ATOM 2497 O SER C 36 47.330 -24.700 11.410 1.00 27.04 O ATOM 2498 CB SER C 36 49.563 -23.049 10.518 1.00 23.78 C ATOM 2499 OG SER C 36 48.864 -21.806 10.515 1.00 26.33 O ATOM 2500 H SER C 36 48.465 -22.524 8.243 1.00 20.00 H ATOM 2501 HG SER C 36 49.407 -21.209 9.976 1.00 20.00 H ATOM 2502 N ASN C 37 46.385 -23.872 9.555 1.00 26.36 N ATOM 2503 CA ASN C 37 45.025 -23.901 10.061 1.00 26.23 C ATOM 2504 C ASN C 37 44.932 -23.153 11.389 1.00 25.28 C ATOM 2505 O ASN C 37 44.304 -23.521 12.378 1.00 25.60 O ATOM 2506 CB ASN C 37 44.572 -25.350 10.182 1.00 28.87 C ATOM 2507 CG ASN C 37 43.075 -25.389 10.408 1.00 32.37 C ATOM 2508 OD1 ASN C 37 42.585 -25.828 11.449 1.00 36.58 O ATOM 2509 ND2 ASN C 37 42.287 -24.942 9.452 1.00 33.24 N ATOM 2510 H ASN C 37 46.539 -23.503 8.656 1.00 20.00 H ATOM 2511 HD21 ASN C 37 41.334 -24.916 9.641 1.00 0.00 H ATOM 2512 HD22 ASN C 37 42.702 -24.672 8.601 1.00 0.00 H ATOM 2513 N PHE C 38 45.642 -22.022 11.361 1.00 25.35 N ATOM 2514 CA PHE C 38 45.744 -21.040 12.429 1.00 24.56 C ATOM 2515 C PHE C 38 46.410 -21.526 13.711 1.00 24.90 C ATOM 2516 O PHE C 38 46.193 -20.944 14.778 1.00 25.88 O ATOM 2517 CB PHE C 38 44.348 -20.461 12.803 1.00 25.81 C ATOM 2518 CG PHE C 38 43.566 -19.711 11.721 1.00 24.28 C ATOM 2519 CD1 PHE C 38 44.182 -18.825 10.846 1.00 26.08 C ATOM 2520 CD2 PHE C 38 42.200 -19.897 11.626 1.00 22.63 C ATOM 2521 CE1 PHE C 38 43.427 -18.151 9.893 1.00 23.30 C ATOM 2522 CE2 PHE C 38 41.460 -19.215 10.677 1.00 21.20 C ATOM 2523 CZ PHE C 38 42.067 -18.338 9.814 1.00 22.97 C ATOM 2524 H PHE C 38 46.202 -21.867 10.571 1.00 20.00 H ATOM 2525 N ASN C 39 47.258 -22.548 13.653 1.00 27.59 N ATOM 2526 CA ASN C 39 47.930 -23.091 14.826 1.00 27.97 C ATOM 2527 C ASN C 39 49.382 -22.609 14.944 1.00 27.63 C ATOM 2528 O ASN C 39 50.225 -22.903 14.094 1.00 26.64 O ATOM 2529 CB ASN C 39 47.883 -24.616 14.740 1.00 29.72 C ATOM 2530 CG ASN C 39 48.474 -25.370 15.938 1.00 31.24 C ATOM 2531 OD1 ASN C 39 48.950 -24.834 16.942 1.00 29.19 O ATOM 2532 ND2 ASN C 39 48.465 -26.688 15.878 1.00 35.29 N ATOM 2533 H ASN C 39 47.521 -22.908 12.782 1.00 20.00 H ATOM 2534 HD21 ASN C 39 48.931 -27.218 16.560 1.00 0.00 H ATOM 2535 HD22 ASN C 39 48.017 -27.092 15.105 1.00 0.00 H ATOM 2536 N THR C 40 49.739 -21.906 16.010 1.00 29.37 N ATOM 2537 CA THR C 40 51.095 -21.434 16.223 1.00 34.05 C ATOM 2538 C THR C 40 52.107 -22.566 16.421 1.00 35.96 C ATOM 2539 O THR C 40 53.303 -22.435 16.186 1.00 37.81 O ATOM 2540 CB THR C 40 51.075 -20.505 17.433 1.00 34.93 C ATOM 2541 OG1 THR C 40 50.587 -21.244 18.563 1.00 37.88 O ATOM 2542 CG2 THR C 40 50.213 -19.280 17.157 1.00 34.99 C ATOM 2543 H THR C 40 49.055 -21.647 16.660 1.00 20.00 H ATOM 2544 HG1 THR C 40 51.391 -21.503 19.055 1.00 20.00 H ATOM 2545 N GLN C 41 51.655 -23.739 16.847 1.00 37.05 N ATOM 2546 CA GLN C 41 52.567 -24.841 17.071 1.00 38.08 C ATOM 2547 C GLN C 41 52.638 -25.782 15.873 1.00 38.92 C ATOM 2548 O GLN C 41 53.199 -26.881 16.012 1.00 39.93 O ATOM 2549 CB GLN C 41 52.117 -25.611 18.319 1.00 40.77 C ATOM 2550 CG GLN C 41 51.720 -24.816 19.571 1.00 46.04 C ATOM 2551 CD GLN C 41 52.720 -23.771 20.060 1.00 50.82 C ATOM 2552 OE1 GLN C 41 52.352 -22.628 20.375 1.00 53.35 O ATOM 2553 NE2 GLN C 41 53.996 -24.118 20.173 1.00 53.58 N ATOM 2554 H GLN C 41 50.699 -23.842 17.034 1.00 20.00 H ATOM 2555 HE21 GLN C 41 54.641 -23.395 20.357 1.00 0.00 H ATOM 2556 HE22 GLN C 41 54.267 -25.042 19.999 1.00 0.00 H ATOM 2557 N ALA C 42 52.071 -25.437 14.702 1.00 37.94 N ATOM 2558 CA ALA C 42 52.060 -26.324 13.535 1.00 39.13 C ATOM 2559 C ALA C 42 53.451 -26.668 12.998 1.00 42.76 C ATOM 2560 O ALA C 42 54.357 -25.820 12.999 1.00 45.60 O ATOM 2561 CB ALA C 42 51.277 -25.703 12.395 1.00 36.42 C ATOM 2562 H ALA C 42 51.660 -24.551 14.619 1.00 20.00 H ATOM 2563 N THR C 43 53.682 -27.906 12.546 1.00 44.02 N ATOM 2564 CA THR C 43 54.995 -28.371 12.096 1.00 46.54 C ATOM 2565 C THR C 43 54.806 -29.279 10.879 1.00 45.86 C ATOM 2566 O THR C 43 53.845 -30.047 10.901 1.00 43.57 O ATOM 2567 CB THR C 43 55.637 -29.129 13.290 1.00 47.61 C ATOM 2568 OG1 THR C 43 55.840 -28.221 14.382 1.00 48.97 O ATOM 2569 CG2 THR C 43 56.947 -29.754 12.889 1.00 49.91 C ATOM 2570 H THR C 43 52.959 -28.569 12.518 1.00 20.00 H ATOM 2571 HG1 THR C 43 55.402 -27.371 14.230 1.00 20.00 H ATOM 2572 N ASN C 44 55.621 -29.256 9.821 1.00 50.11 N ATOM 2573 CA ASN C 44 55.468 -30.190 8.704 1.00 54.71 C ATOM 2574 C ASN C 44 56.816 -30.664 8.186 1.00 55.33 C ATOM 2575 O ASN C 44 57.634 -29.873 7.712 1.00 52.90 O ATOM 2576 CB ASN C 44 54.706 -29.554 7.518 1.00 59.65 C ATOM 2577 CG ASN C 44 54.464 -30.518 6.348 1.00 63.37 C ATOM 2578 OD1 ASN C 44 53.726 -31.499 6.484 1.00 64.46 O ATOM 2579 ND2 ASN C 44 55.061 -30.334 5.169 1.00 64.54 N ATOM 2580 H ASN C 44 56.270 -28.524 9.746 1.00 20.00 H ATOM 2581 HD21 ASN C 44 54.854 -30.990 4.476 1.00 0.00 H ATOM 2582 HD22 ASN C 44 55.685 -29.592 5.040 1.00 0.00 H ATOM 2583 N ARG C 45 57.069 -31.955 8.359 1.00 58.52 N ATOM 2584 CA ARG C 45 58.272 -32.644 7.906 1.00 62.67 C ATOM 2585 C ARG C 45 58.221 -32.831 6.400 1.00 62.14 C ATOM 2586 O ARG C 45 57.163 -33.237 5.929 1.00 63.76 O ATOM 2587 CB ARG C 45 58.327 -33.984 8.613 1.00 67.01 C ATOM 2588 CG ARG C 45 59.026 -34.003 9.978 1.00 72.48 C ATOM 2589 CD ARG C 45 60.556 -34.029 9.810 1.00 77.24 C ATOM 2590 NE ARG C 45 60.964 -35.107 8.918 1.00 80.73 N ATOM 2591 CZ ARG C 45 61.503 -34.879 7.713 1.00 82.39 C ATOM 2592 NH1 ARG C 45 61.764 -33.648 7.267 1.00 82.67 N ATOM 2593 NH2 ARG C 45 61.794 -35.921 6.943 1.00 84.09 N ATOM 2594 H ARG C 45 56.373 -32.504 8.767 1.00 20.00 H ATOM 2595 HE ARG C 45 60.822 -36.034 9.204 1.00 20.00 H ATOM 2596 HH11 ARG C 45 61.564 -32.850 7.835 1.00 0.00 H ATOM 2597 HH12 ARG C 45 62.172 -33.526 6.362 1.00 0.00 H ATOM 2598 HH21 ARG C 45 61.618 -36.847 7.279 1.00 0.00 H ATOM 2599 HH22 ARG C 45 62.191 -35.785 6.036 1.00 0.00 H ATOM 2600 N ASN C 46 59.259 -32.598 5.602 1.00 61.67 N ATOM 2601 CA ASN C 46 59.114 -32.665 4.152 1.00 63.11 C ATOM 2602 C ASN C 46 59.865 -33.836 3.537 1.00 66.64 C ATOM 2603 O ASN C 46 60.575 -34.543 4.255 1.00 66.92 O ATOM 2604 CB ASN C 46 59.605 -31.361 3.551 1.00 60.17 C ATOM 2605 CG ASN C 46 58.797 -30.181 4.055 1.00 58.54 C ATOM 2606 OD1 ASN C 46 57.701 -29.897 3.586 1.00 58.48 O ATOM 2607 ND2 ASN C 46 59.261 -29.442 5.041 1.00 57.13 N ATOM 2608 H ASN C 46 60.157 -32.492 5.986 1.00 20.00 H ATOM 2609 HD21 ASN C 46 58.705 -28.726 5.400 1.00 0.00 H ATOM 2610 HD22 ASN C 46 60.132 -29.696 5.400 1.00 0.00 H ATOM 2611 N THR C 47 59.769 -34.122 2.230 1.00 71.73 N ATOM 2612 CA THR C 47 60.521 -35.214 1.589 1.00 76.12 C ATOM 2613 C THR C 47 61.922 -34.714 1.197 1.00 76.11 C ATOM 2614 O THR C 47 62.315 -34.576 0.028 1.00 76.28 O ATOM 2615 CB THR C 47 59.755 -35.711 0.328 1.00 78.09 C ATOM 2616 OG1 THR C 47 58.356 -35.701 0.634 1.00 80.77 O ATOM 2617 CG2 THR C 47 60.194 -37.115 -0.088 1.00 78.56 C ATOM 2618 H THR C 47 59.125 -33.642 1.673 1.00 20.00 H ATOM 2619 HG1 THR C 47 57.882 -36.188 -0.047 1.00 20.00 H ATOM 2620 N ASP C 48 62.613 -34.376 2.280 1.00 75.22 N ATOM 2621 CA ASP C 48 63.945 -33.790 2.379 1.00 72.86 C ATOM 2622 C ASP C 48 64.006 -33.420 3.846 1.00 71.27 C ATOM 2623 O ASP C 48 62.965 -33.144 4.453 1.00 71.13 O ATOM 2624 CB ASP C 48 64.148 -32.490 1.587 1.00 72.68 C ATOM 2625 CG ASP C 48 63.015 -31.465 1.494 1.00 73.11 C ATOM 2626 OD1 ASP C 48 62.216 -31.548 0.560 1.00 71.90 O ATOM 2627 OD2 ASP C 48 62.946 -30.569 2.329 1.00 72.11 O ATOM 2628 H ASP C 48 62.180 -34.558 3.146 1.00 20.00 H ATOM 2629 N GLY C 49 65.172 -33.308 4.464 1.00 69.17 N ATOM 2630 CA GLY C 49 65.228 -33.057 5.894 1.00 64.86 C ATOM 2631 C GLY C 49 64.656 -31.733 6.375 1.00 62.06 C ATOM 2632 O GLY C 49 64.970 -31.409 7.523 1.00 64.26 O ATOM 2633 H GLY C 49 66.003 -33.413 3.954 1.00 20.00 H ATOM 2634 N SER C 50 63.912 -30.931 5.600 1.00 57.29 N ATOM 2635 CA SER C 50 63.350 -29.692 6.100 1.00 54.27 C ATOM 2636 C SER C 50 62.036 -29.947 6.828 1.00 51.86 C ATOM 2637 O SER C 50 61.263 -30.865 6.515 1.00 50.15 O ATOM 2638 CB SER C 50 62.999 -28.710 5.012 1.00 54.54 C ATOM 2639 OG SER C 50 63.897 -28.525 3.934 1.00 58.44 O ATOM 2640 H SER C 50 63.639 -31.213 4.711 1.00 20.00 H ATOM 2641 HG SER C 50 63.476 -27.908 3.324 1.00 20.00 H ATOM 2642 N THR C 51 61.737 -29.046 7.743 1.00 47.55 N ATOM 2643 CA THR C 51 60.492 -29.056 8.458 1.00 44.18 C ATOM 2644 C THR C 51 59.986 -27.608 8.448 1.00 42.29 C ATOM 2645 O THR C 51 60.786 -26.668 8.535 1.00 40.33 O ATOM 2646 CB THR C 51 60.790 -29.592 9.855 1.00 43.66 C ATOM 2647 OG1 THR C 51 61.374 -30.882 9.693 1.00 43.72 O ATOM 2648 CG2 THR C 51 59.547 -29.685 10.702 1.00 43.44 C ATOM 2649 H THR C 51 62.381 -28.347 7.992 1.00 20.00 H ATOM 2650 HG1 THR C 51 62.300 -30.750 9.443 1.00 20.00 H ATOM 2651 N ASP C 52 58.677 -27.382 8.307 1.00 40.01 N ATOM 2652 CA ASP C 52 58.113 -26.042 8.233 1.00 36.39 C ATOM 2653 C ASP C 52 57.501 -25.758 9.584 1.00 34.47 C ATOM 2654 O ASP C 52 56.834 -26.630 10.146 1.00 34.97 O ATOM 2655 CB ASP C 52 57.077 -26.026 7.148 1.00 37.12 C ATOM 2656 CG ASP C 52 57.591 -26.533 5.804 1.00 38.83 C ATOM 2657 OD1 ASP C 52 58.665 -26.142 5.359 1.00 40.74 O ATOM 2658 OD2 ASP C 52 56.901 -27.335 5.186 1.00 44.45 O ATOM 2659 H ASP C 52 58.062 -28.137 8.331 1.00 20.00 H ATOM 2660 N TYR C 53 57.736 -24.570 10.121 1.00 34.06 N ATOM 2661 CA TYR C 53 57.362 -24.222 11.479 1.00 35.10 C ATOM 2662 C TYR C 53 56.392 -23.067 11.704 1.00 36.01 C ATOM 2663 O TYR C 53 56.520 -21.966 11.137 1.00 36.80 O ATOM 2664 CB TYR C 53 58.634 -23.912 12.274 1.00 39.60 C ATOM 2665 CG TYR C 53 59.574 -25.099 12.439 1.00 41.43 C ATOM 2666 CD1 TYR C 53 60.524 -25.351 11.475 1.00 43.10 C ATOM 2667 CD2 TYR C 53 59.467 -25.909 13.556 1.00 43.32 C ATOM 2668 CE1 TYR C 53 61.374 -26.422 11.637 1.00 47.18 C ATOM 2669 CE2 TYR C 53 60.317 -26.980 13.719 1.00 46.31 C ATOM 2670 CZ TYR C 53 61.272 -27.233 12.754 1.00 47.98 C ATOM 2671 OH TYR C 53 62.142 -28.305 12.902 1.00 48.13 O ATOM 2672 H TYR C 53 58.233 -23.904 9.602 1.00 20.00 H ATOM 2673 HH TYR C 53 62.774 -28.303 12.175 1.00 20.00 H ATOM 2674 N GLY C 54 55.412 -23.319 12.564 1.00 32.56 N ATOM 2675 CA GLY C 54 54.485 -22.308 13.053 1.00 29.62 C ATOM 2676 C GLY C 54 53.367 -21.893 12.110 1.00 25.11 C ATOM 2677 O GLY C 54 53.065 -22.526 11.092 1.00 24.96 O ATOM 2678 H GLY C 54 55.328 -24.221 12.927 1.00 20.00 H ATOM 2679 N ILE C 55 52.775 -20.781 12.511 1.00 25.52 N ATOM 2680 CA ILE C 55 51.646 -20.149 11.844 1.00 28.90 C ATOM 2681 C ILE C 55 51.833 -19.901 10.338 1.00 28.94 C ATOM 2682 O ILE C 55 50.918 -20.178 9.545 1.00 25.77 O ATOM 2683 CB ILE C 55 51.343 -18.851 12.671 1.00 27.26 C ATOM 2684 CG1 ILE C 55 50.000 -18.273 12.254 1.00 29.71 C ATOM 2685 CG2 ILE C 55 52.431 -17.810 12.482 1.00 28.75 C ATOM 2686 CD1 ILE C 55 48.757 -18.960 12.816 1.00 26.96 C ATOM 2687 H ILE C 55 53.059 -20.422 13.368 1.00 20.00 H ATOM 2688 N LEU C 56 53.005 -19.443 9.871 1.00 29.40 N ATOM 2689 CA LEU C 56 53.190 -19.263 8.445 1.00 28.69 C ATOM 2690 C LEU C 56 54.109 -20.307 7.866 1.00 28.52 C ATOM 2691 O LEU C 56 54.633 -20.126 6.780 1.00 28.52 O ATOM 2692 CB LEU C 56 53.699 -17.821 8.192 1.00 29.04 C ATOM 2693 CG LEU C 56 52.576 -16.760 8.374 1.00 28.90 C ATOM 2694 CD1 LEU C 56 53.106 -15.352 8.372 1.00 28.26 C ATOM 2695 CD2 LEU C 56 51.567 -16.951 7.242 1.00 29.31 C ATOM 2696 H LEU C 56 53.746 -19.231 10.482 1.00 20.00 H ATOM 2697 N GLN C 57 54.269 -21.444 8.566 1.00 28.47 N ATOM 2698 CA GLN C 57 55.042 -22.586 8.100 1.00 27.16 C ATOM 2699 C GLN C 57 56.411 -22.312 7.438 1.00 26.80 C ATOM 2700 O GLN C 57 56.724 -22.718 6.318 1.00 25.15 O ATOM 2701 CB GLN C 57 54.117 -23.389 7.154 1.00 27.63 C ATOM 2702 CG GLN C 57 53.033 -24.119 7.925 1.00 27.08 C ATOM 2703 CD GLN C 57 53.602 -25.241 8.780 1.00 27.52 C ATOM 2704 OE1 GLN C 57 53.838 -26.348 8.309 1.00 28.58 O ATOM 2705 NE2 GLN C 57 53.879 -24.989 10.046 1.00 26.52 N ATOM 2706 H GLN C 57 53.780 -21.534 9.407 1.00 20.00 H ATOM 2707 HE21 GLN C 57 54.234 -25.723 10.589 1.00 0.00 H ATOM 2708 HE22 GLN C 57 53.689 -24.091 10.379 1.00 0.00 H ATOM 2709 N ILE C 58 57.288 -21.679 8.195 1.00 26.15 N ATOM 2710 CA ILE C 58 58.576 -21.245 7.684 1.00 28.74 C ATOM 2711 C ILE C 58 59.585 -22.392 7.737 1.00 29.44 C ATOM 2712 O ILE C 58 59.736 -23.103 8.731 1.00 30.79 O ATOM 2713 CB ILE C 58 58.925 -20.025 8.530 1.00 28.77 C ATOM 2714 CG1 ILE C 58 57.973 -18.897 8.073 1.00 30.15 C ATOM 2715 CG2 ILE C 58 60.387 -19.640 8.395 1.00 28.70 C ATOM 2716 CD1 ILE C 58 57.812 -17.718 9.035 1.00 30.90 C ATOM 2717 H ILE C 58 57.127 -21.626 9.162 1.00 20.00 H ATOM 2718 N ASN C 59 60.193 -22.567 6.577 1.00 28.12 N ATOM 2719 CA ASN C 59 61.108 -23.642 6.287 1.00 30.74 C ATOM 2720 C ASN C 59 62.482 -23.606 6.968 1.00 32.47 C ATOM 2721 O ASN C 59 63.197 -22.589 6.933 1.00 32.26 O ATOM 2722 CB ASN C 59 61.211 -23.660 4.769 1.00 32.25 C ATOM 2723 CG ASN C 59 62.060 -24.804 4.255 1.00 35.29 C ATOM 2724 OD1 ASN C 59 61.783 -25.960 4.525 1.00 39.28 O ATOM 2725 ND2 ASN C 59 63.124 -24.619 3.495 1.00 36.60 N ATOM 2726 H ASN C 59 59.965 -21.936 5.857 1.00 20.00 H ATOM 2727 HD21 ASN C 59 63.560 -25.420 3.123 1.00 0.00 H ATOM 2728 HD22 ASN C 59 63.386 -23.712 3.238 1.00 0.00 H ATOM 2729 N SER C 60 62.879 -24.737 7.554 1.00 32.48 N ATOM 2730 CA SER C 60 64.162 -24.903 8.222 1.00 31.57 C ATOM 2731 C SER C 60 65.403 -25.009 7.322 1.00 31.61 C ATOM 2732 O SER C 60 66.532 -24.932 7.819 1.00 37.08 O ATOM 2733 CB SER C 60 64.086 -26.140 9.107 1.00 28.70 C ATOM 2734 OG SER C 60 63.946 -27.337 8.333 1.00 29.19 O ATOM 2735 H SER C 60 62.224 -25.462 7.665 1.00 20.00 H ATOM 2736 HG SER C 60 64.652 -27.912 8.661 1.00 20.00 H ATOM 2737 N ARG C 61 65.339 -25.240 6.010 1.00 30.80 N ATOM 2738 CA ARG C 61 66.555 -25.235 5.211 1.00 32.84 C ATOM 2739 C ARG C 61 66.935 -23.823 4.801 1.00 35.23 C ATOM 2740 O ARG C 61 68.108 -23.512 4.627 1.00 38.02 O ATOM 2741 CB ARG C 61 66.392 -26.055 3.946 1.00 35.83 C ATOM 2742 CG ARG C 61 67.668 -26.151 3.103 1.00 38.42 C ATOM 2743 CD ARG C 61 67.623 -27.360 2.206 1.00 41.44 C ATOM 2744 NE ARG C 61 67.781 -28.530 3.056 1.00 47.36 N ATOM 2745 CZ ARG C 61 67.042 -29.642 2.939 1.00 50.35 C ATOM 2746 NH1 ARG C 61 66.033 -29.725 2.060 1.00 51.79 N ATOM 2747 NH2 ARG C 61 67.293 -30.671 3.754 1.00 48.62 N ATOM 2748 H ARG C 61 64.481 -25.477 5.611 1.00 20.00 H ATOM 2749 HE ARG C 61 68.391 -28.462 3.812 1.00 20.00 H ATOM 2750 HH11 ARG C 61 65.806 -28.953 1.465 1.00 0.00 H ATOM 2751 HH12 ARG C 61 65.512 -30.572 1.999 1.00 0.00 H ATOM 2752 HH21 ARG C 61 68.038 -30.601 4.417 1.00 0.00 H ATOM 2753 HH22 ARG C 61 66.767 -31.518 3.669 1.00 0.00 H ATOM 2754 N TRP C 62 65.975 -22.910 4.672 1.00 35.19 N ATOM 2755 CA TRP C 62 66.268 -21.594 4.144 1.00 31.60 C ATOM 2756 C TRP C 62 66.091 -20.455 5.102 1.00 30.24 C ATOM 2757 O TRP C 62 66.947 -19.573 5.167 1.00 30.89 O ATOM 2758 CB TRP C 62 65.409 -21.305 2.906 1.00 30.27 C ATOM 2759 CG TRP C 62 65.989 -22.006 1.698 1.00 31.39 C ATOM 2760 CD1 TRP C 62 65.610 -23.280 1.384 1.00 32.68 C ATOM 2761 CD2 TRP C 62 66.952 -21.514 0.851 1.00 32.38 C ATOM 2762 NE1 TRP C 62 66.334 -23.607 0.338 1.00 31.74 N ATOM 2763 CE2 TRP C 62 67.143 -22.591 -0.010 1.00 32.52 C ATOM 2764 CE3 TRP C 62 67.679 -20.342 0.694 1.00 34.00 C ATOM 2765 CZ2 TRP C 62 68.061 -22.517 -1.046 1.00 32.04 C ATOM 2766 CZ3 TRP C 62 68.598 -20.263 -0.334 1.00 32.27 C ATOM 2767 CH2 TRP C 62 68.784 -21.341 -1.194 1.00 34.28 C ATOM 2768 H TRP C 62 65.102 -23.106 5.049 1.00 20.00 H ATOM 2769 HE1 TRP C 62 66.222 -24.448 -0.158 1.00 20.00 H ATOM 2770 N TRP C 63 65.004 -20.440 5.862 1.00 29.35 N ATOM 2771 CA TRP C 63 64.699 -19.250 6.632 1.00 28.39 C ATOM 2772 C TRP C 63 64.987 -19.301 8.123 1.00 29.96 C ATOM 2773 O TRP C 63 65.447 -18.281 8.662 1.00 28.25 O ATOM 2774 CB TRP C 63 63.247 -18.922 6.318 1.00 25.24 C ATOM 2775 CG TRP C 63 63.071 -18.756 4.808 1.00 24.03 C ATOM 2776 CD1 TRP C 63 62.500 -19.740 4.040 1.00 22.58 C ATOM 2777 CD2 TRP C 63 63.493 -17.686 4.052 1.00 23.13 C ATOM 2778 NE1 TRP C 63 62.566 -19.294 2.806 1.00 20.17 N ATOM 2779 CE2 TRP C 63 63.145 -18.088 2.764 1.00 22.33 C ATOM 2780 CE3 TRP C 63 64.108 -16.469 4.283 1.00 23.18 C ATOM 2781 CZ2 TRP C 63 63.404 -17.282 1.674 1.00 23.44 C ATOM 2782 CZ3 TRP C 63 64.368 -15.655 3.195 1.00 21.78 C ATOM 2783 CH2 TRP C 63 64.020 -16.060 1.911 1.00 23.60 C ATOM 2784 H TRP C 63 64.370 -21.185 5.874 1.00 20.00 H ATOM 2785 HE1 TRP C 63 62.151 -19.724 2.036 1.00 20.00 H ATOM 2786 N CYS C 64 64.757 -20.412 8.816 1.00 29.20 N ATOM 2787 CA CYS C 64 65.148 -20.460 10.210 1.00 33.82 C ATOM 2788 C CYS C 64 66.053 -21.652 10.422 1.00 36.75 C ATOM 2789 O CYS C 64 66.110 -22.560 9.583 1.00 38.31 O ATOM 2790 CB CYS C 64 63.934 -20.580 11.117 1.00 33.07 C ATOM 2791 SG CYS C 64 62.871 -21.983 10.707 1.00 37.16 S ATOM 2792 H CYS C 64 64.279 -21.183 8.444 1.00 20.00 H ATOM 2793 N ASN C 65 66.839 -21.643 11.491 1.00 41.58 N ATOM 2794 CA ASN C 65 67.714 -22.766 11.768 1.00 45.91 C ATOM 2795 C ASN C 65 67.168 -23.693 12.836 1.00 46.33 C ATOM 2796 O ASN C 65 66.837 -23.245 13.939 1.00 45.24 O ATOM 2797 CB ASN C 65 69.082 -22.278 12.217 1.00 48.70 C ATOM 2798 CG ASN C 65 70.024 -23.436 12.528 1.00 52.43 C ATOM 2799 OD1 ASN C 65 70.344 -24.281 11.691 1.00 53.01 O ATOM 2800 ND2 ASN C 65 70.447 -23.580 13.773 1.00 55.49 N ATOM 2801 H ASN C 65 66.874 -20.837 12.047 1.00 20.00 H ATOM 2802 HD21 ASN C 65 71.090 -24.295 13.942 1.00 0.00 H ATOM 2803 HD22 ASN C 65 70.127 -22.952 14.455 1.00 0.00 H ATOM 2804 N ASP C 66 67.023 -24.979 12.530 1.00 47.79 N ATOM 2805 CA ASP C 66 66.646 -25.943 13.556 1.00 50.57 C ATOM 2806 C ASP C 66 67.812 -26.828 13.993 1.00 54.57 C ATOM 2807 O ASP C 66 67.619 -27.699 14.842 1.00 58.14 O ATOM 2808 CB ASP C 66 65.511 -26.837 13.064 1.00 48.76 C ATOM 2809 CG ASP C 66 65.772 -27.690 11.830 1.00 50.99 C ATOM 2810 OD1 ASP C 66 66.816 -27.557 11.186 1.00 53.35 O ATOM 2811 OD2 ASP C 66 64.901 -28.493 11.499 1.00 49.89 O ATOM 2812 H ASP C 66 67.131 -25.245 11.591 1.00 20.00 H ATOM 2813 N GLY C 67 69.004 -26.686 13.387 1.00 56.46 N ATOM 2814 CA GLY C 67 70.183 -27.473 13.742 1.00 58.45 C ATOM 2815 C GLY C 67 69.994 -28.961 13.453 1.00 59.17 C ATOM 2816 O GLY C 67 70.527 -29.828 14.144 1.00 60.76 O ATOM 2817 H GLY C 67 69.092 -26.075 12.626 1.00 20.00 H ATOM 2818 N ARG C 68 69.284 -29.255 12.377 1.00 58.42 N ATOM 2819 CA ARG C 68 68.857 -30.603 12.078 1.00 59.43 C ATOM 2820 C ARG C 68 68.691 -30.740 10.565 1.00 58.52 C ATOM 2821 O ARG C 68 68.710 -31.844 10.010 1.00 58.25 O ATOM 2822 CB ARG C 68 67.551 -30.803 12.848 1.00 63.66 C ATOM 2823 CG ARG C 68 66.857 -32.156 12.853 1.00 69.11 C ATOM 2824 CD ARG C 68 65.366 -31.956 13.165 1.00 73.04 C ATOM 2825 NE ARG C 68 64.651 -33.227 13.172 1.00 76.99 N ATOM 2826 CZ ARG C 68 64.192 -33.840 12.067 1.00 78.86 C ATOM 2827 NH1 ARG C 68 64.323 -33.338 10.834 1.00 80.17 N ATOM 2828 NH2 ARG C 68 63.562 -35.004 12.210 1.00 80.60 N ATOM 2829 H ARG C 68 69.171 -28.532 11.728 1.00 20.00 H ATOM 2830 HE ARG C 68 64.517 -33.668 14.037 1.00 20.00 H ATOM 2831 HH11 ARG C 68 64.789 -32.466 10.685 1.00 0.00 H ATOM 2832 HH12 ARG C 68 63.941 -33.838 10.056 1.00 0.00 H ATOM 2833 HH21 ARG C 68 63.436 -35.385 13.125 1.00 0.00 H ATOM 2834 HH22 ARG C 68 63.223 -35.497 11.408 1.00 0.00 H ATOM 2835 N THR C 69 68.543 -29.633 9.845 1.00 56.39 N ATOM 2836 CA THR C 69 68.346 -29.707 8.422 1.00 53.96 C ATOM 2837 C THR C 69 69.691 -29.565 7.733 1.00 56.60 C ATOM 2838 O THR C 69 70.495 -28.660 8.018 1.00 56.06 O ATOM 2839 CB THR C 69 67.381 -28.613 8.022 1.00 50.63 C ATOM 2840 OG1 THR C 69 66.244 -28.806 8.855 1.00 47.22 O ATOM 2841 CG2 THR C 69 66.971 -28.667 6.565 1.00 49.46 C ATOM 2842 H THR C 69 68.644 -28.744 10.233 1.00 20.00 H ATOM 2843 HG1 THR C 69 65.857 -29.685 8.697 1.00 20.00 H ATOM 2844 N PRO C 70 69.996 -30.518 6.854 1.00 58.95 N ATOM 2845 CA PRO C 70 71.156 -30.451 5.982 1.00 60.38 C ATOM 2846 C PRO C 70 71.091 -29.234 5.055 1.00 60.81 C ATOM 2847 O PRO C 70 70.130 -29.073 4.306 1.00 59.93 O ATOM 2848 CB PRO C 70 71.120 -31.807 5.286 1.00 61.09 C ATOM 2849 CG PRO C 70 69.669 -32.241 5.330 1.00 61.03 C ATOM 2850 CD PRO C 70 69.310 -31.808 6.738 1.00 60.37 C ATOM 2851 N GLY C 71 72.092 -28.353 5.123 1.00 61.22 N ATOM 2852 CA GLY C 71 72.136 -27.164 4.276 1.00 59.99 C ATOM 2853 C GLY C 71 71.507 -25.886 4.851 1.00 58.00 C ATOM 2854 O GLY C 71 71.377 -24.953 4.066 1.00 57.37 O ATOM 2855 H GLY C 71 72.821 -28.519 5.751 1.00 20.00 H ATOM 2856 N SER C 72 71.128 -25.731 6.139 1.00 55.49 N ATOM 2857 CA SER C 72 70.509 -24.502 6.638 1.00 54.11 C ATOM 2858 C SER C 72 71.215 -23.174 6.370 1.00 52.03 C ATOM 2859 O SER C 72 72.290 -22.881 6.905 1.00 54.02 O ATOM 2860 CB SER C 72 70.281 -24.581 8.156 1.00 55.33 C ATOM 2861 OG SER C 72 69.320 -25.550 8.573 1.00 60.87 O ATOM 2862 H SER C 72 71.180 -26.478 6.767 1.00 20.00 H ATOM 2863 HG SER C 72 68.443 -25.257 8.271 1.00 20.00 H ATOM 2864 N ARG C 73 70.529 -22.364 5.555 1.00 47.35 N ATOM 2865 CA ARG C 73 70.955 -21.029 5.181 1.00 41.04 C ATOM 2866 C ARG C 73 70.600 -20.039 6.278 1.00 39.93 C ATOM 2867 O ARG C 73 71.304 -19.061 6.504 1.00 40.70 O ATOM 2868 CB ARG C 73 70.272 -20.569 3.906 1.00 38.21 C ATOM 2869 CG ARG C 73 70.195 -21.535 2.746 1.00 35.19 C ATOM 2870 CD ARG C 73 71.539 -22.068 2.403 1.00 34.25 C ATOM 2871 NE ARG C 73 71.599 -22.536 1.038 1.00 35.19 N ATOM 2872 CZ ARG C 73 71.339 -23.787 0.650 1.00 36.81 C ATOM 2873 NH1 ARG C 73 70.854 -24.733 1.468 1.00 35.18 N ATOM 2874 NH2 ARG C 73 71.539 -24.054 -0.637 1.00 35.93 N ATOM 2875 H ARG C 73 69.719 -22.718 5.141 1.00 20.00 H ATOM 2876 HE ARG C 73 71.811 -21.899 0.331 1.00 20.00 H ATOM 2877 HH11 ARG C 73 70.638 -24.500 2.415 1.00 0.00 H ATOM 2878 HH12 ARG C 73 70.660 -25.654 1.129 1.00 0.00 H ATOM 2879 HH21 ARG C 73 71.906 -23.342 -1.234 1.00 0.00 H ATOM 2880 HH22 ARG C 73 71.364 -24.972 -0.990 1.00 0.00 H ATOM 2881 N ASN C 74 69.481 -20.274 6.969 1.00 39.52 N ATOM 2882 CA ASN C 74 68.960 -19.427 8.040 1.00 36.83 C ATOM 2883 C ASN C 74 68.905 -17.920 7.726 1.00 35.50 C ATOM 2884 O ASN C 74 69.338 -17.048 8.483 1.00 32.74 O ATOM 2885 CB ASN C 74 69.803 -19.715 9.260 1.00 38.96 C ATOM 2886 CG ASN C 74 69.284 -19.113 10.544 1.00 41.04 C ATOM 2887 OD1 ASN C 74 68.144 -18.665 10.674 1.00 43.38 O ATOM 2888 ND2 ASN C 74 70.125 -19.139 11.563 1.00 41.82 N ATOM 2889 H ASN C 74 68.985 -21.082 6.736 1.00 20.00 H ATOM 2890 HD21 ASN C 74 69.873 -18.692 12.391 1.00 0.00 H ATOM 2891 HD22 ASN C 74 71.003 -19.576 11.428 1.00 0.00 H ATOM 2892 N LEU C 75 68.328 -17.563 6.578 1.00 32.80 N ATOM 2893 CA LEU C 75 68.244 -16.175 6.157 1.00 32.67 C ATOM 2894 C LEU C 75 67.433 -15.238 7.048 1.00 32.66 C ATOM 2895 O LEU C 75 67.658 -14.023 7.040 1.00 31.26 O ATOM 2896 CB LEU C 75 67.723 -16.154 4.716 1.00 30.83 C ATOM 2897 CG LEU C 75 68.722 -16.094 3.532 1.00 31.14 C ATOM 2898 CD1 LEU C 75 70.105 -16.616 3.877 1.00 30.53 C ATOM 2899 CD2 LEU C 75 68.120 -16.896 2.415 1.00 30.84 C ATOM 2900 H LEU C 75 68.021 -18.263 5.972 1.00 20.00 H ATOM 2901 N CYS C 76 66.500 -15.724 7.859 1.00 31.90 N ATOM 2902 CA CYS C 76 65.820 -14.853 8.801 1.00 34.28 C ATOM 2903 C CYS C 76 66.587 -14.684 10.079 1.00 36.51 C ATOM 2904 O CYS C 76 66.235 -13.795 10.853 1.00 37.81 O ATOM 2905 CB CYS C 76 64.454 -15.364 9.171 1.00 31.65 C ATOM 2906 SG CYS C 76 63.318 -14.951 7.835 1.00 28.23 S ATOM 2907 H CYS C 76 66.229 -16.661 7.803 1.00 20.00 H ATOM 2908 N ASN C 77 67.608 -15.538 10.281 1.00 41.37 N ATOM 2909 CA ASN C 77 68.540 -15.474 11.397 1.00 42.66 C ATOM 2910 C ASN C 77 67.777 -15.630 12.690 1.00 41.70 C ATOM 2911 O ASN C 77 67.754 -14.755 13.550 1.00 42.79 O ATOM 2912 CB ASN C 77 69.297 -14.126 11.294 1.00 46.87 C ATOM 2913 CG ASN C 77 70.554 -13.998 12.152 1.00 51.14 C ATOM 2914 OD1 ASN C 77 71.185 -14.979 12.553 1.00 54.01 O ATOM 2915 ND2 ASN C 77 71.038 -12.793 12.442 1.00 50.65 N ATOM 2916 H ASN C 77 67.775 -16.262 9.641 1.00 20.00 H ATOM 2917 HD21 ASN C 77 71.823 -12.771 13.026 1.00 0.00 H ATOM 2918 HD22 ASN C 77 70.585 -12.004 12.075 1.00 0.00 H ATOM 2919 N ILE C 78 67.101 -16.778 12.809 1.00 43.45 N ATOM 2920 CA ILE C 78 66.217 -17.077 13.937 1.00 41.26 C ATOM 2921 C ILE C 78 66.223 -18.597 14.147 1.00 39.77 C ATOM 2922 O ILE C 78 66.329 -19.362 13.181 1.00 39.66 O ATOM 2923 CB ILE C 78 64.770 -16.469 13.586 1.00 42.86 C ATOM 2924 CG1 ILE C 78 63.880 -16.460 14.819 1.00 44.01 C ATOM 2925 CG2 ILE C 78 64.066 -17.256 12.495 1.00 41.95 C ATOM 2926 CD1 ILE C 78 64.001 -15.164 15.655 1.00 43.61 C ATOM 2927 H ILE C 78 67.213 -17.475 12.117 1.00 20.00 H ATOM 2928 N PRO C 79 66.180 -19.148 15.364 1.00 41.10 N ATOM 2929 CA PRO C 79 65.892 -20.562 15.592 1.00 39.84 C ATOM 2930 C PRO C 79 64.442 -20.924 15.301 1.00 38.47 C ATOM 2931 O PRO C 79 63.509 -20.231 15.718 1.00 38.78 O ATOM 2932 CB PRO C 79 66.284 -20.797 17.036 1.00 40.53 C ATOM 2933 CG PRO C 79 66.029 -19.449 17.666 1.00 40.90 C ATOM 2934 CD PRO C 79 66.558 -18.485 16.610 1.00 40.38 C ATOM 2935 N CYS C 80 64.231 -22.037 14.620 1.00 37.52 N ATOM 2936 CA CYS C 80 62.908 -22.470 14.261 1.00 37.75 C ATOM 2937 C CYS C 80 61.972 -22.584 15.441 1.00 39.90 C ATOM 2938 O CYS C 80 60.805 -22.228 15.309 1.00 41.94 O ATOM 2939 CB CYS C 80 62.967 -23.804 13.567 1.00 38.56 C ATOM 2940 SG CYS C 80 63.864 -23.818 11.992 1.00 36.24 S ATOM 2941 H CYS C 80 65.008 -22.565 14.335 1.00 20.00 H ATOM 2942 N SER C 81 62.400 -22.986 16.629 1.00 42.19 N ATOM 2943 CA SER C 81 61.478 -23.078 17.748 1.00 44.42 C ATOM 2944 C SER C 81 60.996 -21.718 18.251 1.00 42.58 C ATOM 2945 O SER C 81 59.928 -21.632 18.863 1.00 42.96 O ATOM 2946 CB SER C 81 62.167 -23.880 18.841 1.00 47.21 C ATOM 2947 OG SER C 81 62.787 -25.022 18.238 1.00 53.02 O ATOM 2948 H SER C 81 63.309 -23.317 16.767 1.00 20.00 H ATOM 2949 HG SER C 81 62.670 -25.799 18.811 1.00 20.00 H ATOM 2950 N ALA C 82 61.650 -20.609 17.902 1.00 42.26 N ATOM 2951 CA ALA C 82 61.180 -19.288 18.314 1.00 42.60 C ATOM 2952 C ALA C 82 59.911 -18.938 17.541 1.00 43.61 C ATOM 2953 O ALA C 82 59.027 -18.210 18.016 1.00 44.68 O ATOM 2954 CB ALA C 82 62.200 -18.207 18.015 1.00 42.41 C ATOM 2955 H ALA C 82 62.448 -20.680 17.336 1.00 20.00 H ATOM 2956 N LEU C 83 59.802 -19.501 16.338 1.00 42.54 N ATOM 2957 CA LEU C 83 58.633 -19.301 15.515 1.00 41.66 C ATOM 2958 C LEU C 83 57.469 -20.109 16.053 1.00 43.09 C ATOM 2959 O LEU C 83 56.342 -19.825 15.642 1.00 46.69 O ATOM 2960 CB LEU C 83 58.860 -19.729 14.069 1.00 38.20 C ATOM 2961 CG LEU C 83 59.987 -19.078 13.286 1.00 35.11 C ATOM 2962 CD1 LEU C 83 59.984 -19.634 11.893 1.00 34.10 C ATOM 2963 CD2 LEU C 83 59.821 -17.582 13.236 1.00 35.33 C ATOM 2964 H LEU C 83 60.521 -20.077 16.007 1.00 20.00 H ATOM 2965 N LEU C 84 57.636 -21.103 16.944 1.00 39.81 N ATOM 2966 CA LEU C 84 56.486 -21.809 17.470 1.00 38.25 C ATOM 2967 C LEU C 84 55.824 -21.075 18.637 1.00 39.81 C ATOM 2968 O LEU C 84 55.178 -21.695 19.481 1.00 44.02 O ATOM 2969 CB LEU C 84 56.907 -23.202 17.904 1.00 36.42 C ATOM 2970 CG LEU C 84 57.442 -24.189 16.878 1.00 36.87 C ATOM 2971 CD1 LEU C 84 57.860 -25.428 17.638 1.00 38.64 C ATOM 2972 CD2 LEU C 84 56.401 -24.578 15.841 1.00 36.07 C ATOM 2973 H LEU C 84 58.537 -21.377 17.217 1.00 20.00 H ATOM 2974 N SER C 85 55.896 -19.753 18.756 1.00 40.19 N ATOM 2975 CA SER C 85 55.308 -19.045 19.878 1.00 42.02 C ATOM 2976 C SER C 85 53.843 -18.686 19.659 1.00 43.86 C ATOM 2977 O SER C 85 53.356 -18.623 18.534 1.00 45.53 O ATOM 2978 CB SER C 85 56.127 -17.786 20.108 1.00 41.44 C ATOM 2979 OG SER C 85 55.649 -16.877 21.093 1.00 42.51 O ATOM 2980 H SER C 85 56.279 -19.230 18.025 1.00 20.00 H ATOM 2981 HG SER C 85 56.167 -16.074 20.940 1.00 20.00 H ATOM 2982 N SER C 86 53.134 -18.367 20.739 1.00 44.75 N ATOM 2983 CA SER C 86 51.770 -17.860 20.683 1.00 45.24 C ATOM 2984 C SER C 86 51.804 -16.366 20.343 1.00 42.48 C ATOM 2985 O SER C 86 50.768 -15.777 20.030 1.00 43.92 O ATOM 2986 CB SER C 86 51.077 -18.032 22.033 1.00 47.76 C ATOM 2987 OG SER C 86 51.349 -19.280 22.680 1.00 54.68 O ATOM 2988 H SER C 86 53.563 -18.441 21.619 1.00 20.00 H ATOM 2989 HG SER C 86 52.136 -19.109 23.226 1.00 20.00 H ATOM 2990 N ASP C 87 52.949 -15.692 20.460 1.00 40.14 N ATOM 2991 CA ASP C 87 53.089 -14.318 20.014 1.00 40.92 C ATOM 2992 C ASP C 87 53.572 -14.464 18.573 1.00 39.75 C ATOM 2993 O ASP C 87 54.442 -15.311 18.327 1.00 39.19 O ATOM 2994 CB ASP C 87 54.123 -13.606 20.848 1.00 43.76 C ATOM 2995 CG ASP C 87 54.516 -12.211 20.371 1.00 46.76 C ATOM 2996 OD1 ASP C 87 53.676 -11.418 19.956 1.00 49.66 O ATOM 2997 OD2 ASP C 87 55.698 -11.905 20.429 1.00 51.05 O ATOM 2998 H ASP C 87 53.757 -16.159 20.764 1.00 20.00 H ATOM 2999 N ILE C 88 53.050 -13.723 17.590 1.00 37.12 N ATOM 3000 CA ILE C 88 53.461 -13.970 16.211 1.00 35.21 C ATOM 3001 C ILE C 88 54.566 -13.055 15.696 1.00 33.70 C ATOM 3002 O ILE C 88 54.979 -13.211 14.545 1.00 36.54 O ATOM 3003 CB ILE C 88 52.250 -13.875 15.223 1.00 31.79 C ATOM 3004 CG1 ILE C 88 51.719 -12.456 15.148 1.00 29.35 C ATOM 3005 CG2 ILE C 88 51.198 -14.905 15.655 1.00 29.97 C ATOM 3006 CD1 ILE C 88 50.779 -12.213 13.954 1.00 28.44 C ATOM 3007 H ILE C 88 52.326 -13.094 17.804 1.00 20.00 H ATOM 3008 N THR C 89 55.085 -12.116 16.481 1.00 32.28 N ATOM 3009 CA THR C 89 56.125 -11.172 16.067 1.00 33.95 C ATOM 3010 C THR C 89 57.301 -11.763 15.277 1.00 31.61 C ATOM 3011 O THR C 89 57.591 -11.342 14.158 1.00 31.58 O ATOM 3012 CB THR C 89 56.602 -10.470 17.345 1.00 36.18 C ATOM 3013 OG1 THR C 89 55.425 -10.089 18.079 1.00 40.00 O ATOM 3014 CG2 THR C 89 57.446 -9.241 17.059 1.00 36.95 C ATOM 3015 H THR C 89 54.763 -12.058 17.404 1.00 20.00 H ATOM 3016 HG1 THR C 89 55.646 -10.161 19.020 1.00 20.00 H ATOM 3017 N ALA C 90 57.924 -12.814 15.794 1.00 29.92 N ATOM 3018 CA ALA C 90 59.058 -13.441 15.149 1.00 28.11 C ATOM 3019 C ALA C 90 58.651 -13.968 13.777 1.00 27.85 C ATOM 3020 O ALA C 90 59.305 -13.695 12.761 1.00 26.66 O ATOM 3021 CB ALA C 90 59.552 -14.585 16.025 1.00 26.38 C ATOM 3022 H ALA C 90 57.585 -13.198 16.633 1.00 20.00 H ATOM 3023 N SER C 91 57.498 -14.655 13.709 1.00 28.44 N ATOM 3024 CA SER C 91 56.962 -15.161 12.459 1.00 24.72 C ATOM 3025 C SER C 91 56.651 -14.062 11.463 1.00 24.25 C ATOM 3026 O SER C 91 56.917 -14.258 10.272 1.00 24.83 O ATOM 3027 CB SER C 91 55.699 -15.966 12.711 1.00 23.63 C ATOM 3028 OG SER C 91 56.020 -17.300 13.082 1.00 26.33 O ATOM 3029 H SER C 91 57.016 -14.851 14.540 1.00 20.00 H ATOM 3030 HG SER C 91 56.340 -17.704 12.262 1.00 20.00 H ATOM 3031 N VAL C 92 56.175 -12.897 11.906 1.00 23.17 N ATOM 3032 CA VAL C 92 55.859 -11.835 10.970 1.00 25.84 C ATOM 3033 C VAL C 92 57.143 -11.212 10.465 1.00 27.52 C ATOM 3034 O VAL C 92 57.270 -10.985 9.260 1.00 27.92 O ATOM 3035 CB VAL C 92 55.000 -10.741 11.614 1.00 24.68 C ATOM 3036 CG1 VAL C 92 54.807 -9.512 10.740 1.00 24.49 C ATOM 3037 CG2 VAL C 92 53.644 -11.357 11.833 1.00 27.63 C ATOM 3038 H VAL C 92 56.081 -12.740 12.870 1.00 20.00 H ATOM 3039 N ASN C 93 58.113 -10.974 11.348 1.00 28.11 N ATOM 3040 CA ASN C 93 59.363 -10.365 10.938 1.00 27.74 C ATOM 3041 C ASN C 93 60.106 -11.203 9.936 1.00 24.35 C ATOM 3042 O ASN C 93 60.606 -10.655 8.952 1.00 24.87 O ATOM 3043 CB ASN C 93 60.250 -10.144 12.109 1.00 30.85 C ATOM 3044 CG ASN C 93 59.757 -8.982 12.953 1.00 36.84 C ATOM 3045 OD1 ASN C 93 59.867 -9.035 14.183 1.00 40.19 O ATOM 3046 ND2 ASN C 93 59.226 -7.883 12.415 1.00 39.22 N ATOM 3047 H ASN C 93 58.002 -11.236 12.285 1.00 20.00 H ATOM 3048 HD21 ASN C 93 58.855 -7.234 13.049 1.00 0.00 H ATOM 3049 HD22 ASN C 93 59.224 -7.785 11.434 1.00 0.00 H ATOM 3050 N CYS C 94 60.155 -12.518 10.112 1.00 22.83 N ATOM 3051 CA CYS C 94 60.740 -13.359 9.094 1.00 22.40 C ATOM 3052 C CYS C 94 59.898 -13.277 7.830 1.00 24.53 C ATOM 3053 O CYS C 94 60.459 -13.040 6.758 1.00 25.03 O ATOM 3054 CB CYS C 94 60.820 -14.798 9.592 1.00 23.56 C ATOM 3055 SG CYS C 94 61.637 -15.919 8.427 1.00 26.61 S ATOM 3056 H CYS C 94 59.939 -12.897 10.992 1.00 20.00 H ATOM 3057 N ALA C 95 58.553 -13.365 7.868 1.00 26.21 N ATOM 3058 CA ALA C 95 57.733 -13.269 6.653 1.00 23.20 C ATOM 3059 C ALA C 95 57.973 -11.977 5.853 1.00 22.42 C ATOM 3060 O ALA C 95 58.014 -11.945 4.615 1.00 23.00 O ATOM 3061 CB ALA C 95 56.263 -13.347 7.032 1.00 21.86 C ATOM 3062 H ALA C 95 58.109 -13.514 8.733 1.00 20.00 H ATOM 3063 N LYS C 96 58.210 -10.881 6.545 1.00 24.10 N ATOM 3064 CA LYS C 96 58.522 -9.627 5.897 1.00 25.33 C ATOM 3065 C LYS C 96 59.863 -9.706 5.173 1.00 26.57 C ATOM 3066 O LYS C 96 60.003 -9.106 4.103 1.00 27.38 O ATOM 3067 CB LYS C 96 58.538 -8.539 6.939 1.00 25.89 C ATOM 3068 CG LYS C 96 57.164 -8.061 7.383 1.00 27.70 C ATOM 3069 CD LYS C 96 57.443 -6.969 8.396 1.00 33.24 C ATOM 3070 CE LYS C 96 56.187 -6.241 8.799 1.00 38.18 C ATOM 3071 NZ LYS C 96 56.475 -5.297 9.874 1.00 42.34 N ATOM 3072 H LYS C 96 58.128 -10.922 7.520 1.00 20.00 H ATOM 3073 HZ1 LYS C 96 56.889 -5.806 10.683 1.00 20.00 H ATOM 3074 HZ2 LYS C 96 57.142 -4.564 9.550 1.00 20.00 H ATOM 3075 HZ3 LYS C 96 55.587 -4.843 10.171 1.00 20.00 H ATOM 3076 N LYS C 97 60.845 -10.473 5.683 1.00 25.99 N ATOM 3077 CA LYS C 97 62.121 -10.678 4.989 1.00 27.78 C ATOM 3078 C LYS C 97 61.904 -11.492 3.744 1.00 26.51 C ATOM 3079 O LYS C 97 62.508 -11.187 2.718 1.00 27.12 O ATOM 3080 CB LYS C 97 63.184 -11.451 5.795 1.00 30.57 C ATOM 3081 CG LYS C 97 63.776 -10.513 6.827 1.00 37.10 C ATOM 3082 CD LYS C 97 64.980 -11.035 7.599 1.00 41.57 C ATOM 3083 CE LYS C 97 66.221 -11.091 6.721 1.00 44.84 C ATOM 3084 NZ LYS C 97 67.401 -11.413 7.519 1.00 47.17 N ATOM 3085 H LYS C 97 60.691 -10.938 6.536 1.00 20.00 H ATOM 3086 HZ1 LYS C 97 67.543 -10.694 8.257 1.00 20.00 H ATOM 3087 HZ2 LYS C 97 67.286 -12.347 7.964 1.00 20.00 H ATOM 3088 HZ3 LYS C 97 68.232 -11.429 6.892 1.00 20.00 H ATOM 3089 N ILE C 98 61.053 -12.525 3.830 1.00 22.74 N ATOM 3090 CA ILE C 98 60.762 -13.406 2.721 1.00 20.63 C ATOM 3091 C ILE C 98 60.091 -12.616 1.597 1.00 21.34 C ATOM 3092 O ILE C 98 60.410 -12.806 0.418 1.00 19.43 O ATOM 3093 CB ILE C 98 59.864 -14.557 3.269 1.00 21.21 C ATOM 3094 CG1 ILE C 98 60.651 -15.435 4.235 1.00 20.63 C ATOM 3095 CG2 ILE C 98 59.343 -15.405 2.129 1.00 23.67 C ATOM 3096 CD1 ILE C 98 59.821 -16.511 4.977 1.00 21.41 C ATOM 3097 H ILE C 98 60.598 -12.696 4.685 1.00 20.00 H ATOM 3098 N VAL C 99 59.144 -11.723 1.917 1.00 22.27 N ATOM 3099 CA VAL C 99 58.418 -10.990 0.888 1.00 21.85 C ATOM 3100 C VAL C 99 59.124 -9.674 0.585 1.00 24.04 C ATOM 3101 O VAL C 99 58.876 -8.637 1.212 1.00 22.66 O ATOM 3102 CB VAL C 99 56.953 -10.792 1.383 1.00 21.97 C ATOM 3103 CG1 VAL C 99 56.106 -10.014 0.353 1.00 16.59 C ATOM 3104 CG2 VAL C 99 56.346 -12.186 1.612 1.00 18.97 C ATOM 3105 H VAL C 99 58.972 -11.518 2.858 1.00 20.00 H ATOM 3106 N SER C 100 60.017 -9.750 -0.404 1.00 24.56 N ATOM 3107 CA SER C 100 60.864 -8.616 -0.722 1.00 28.08 C ATOM 3108 C SER C 100 60.223 -7.731 -1.774 1.00 27.23 C ATOM 3109 O SER C 100 60.640 -6.591 -1.986 1.00 31.09 O ATOM 3110 CB SER C 100 62.247 -9.126 -1.203 1.00 28.79 C ATOM 3111 OG SER C 100 62.211 -9.866 -2.433 1.00 35.48 O ATOM 3112 H SER C 100 60.145 -10.581 -0.911 1.00 20.00 H ATOM 3113 HG SER C 100 62.668 -9.357 -3.131 1.00 20.00 H ATOM 3114 N ASP C 101 59.210 -8.219 -2.470 1.00 25.33 N ATOM 3115 CA ASP C 101 58.530 -7.431 -3.464 1.00 25.16 C ATOM 3116 C ASP C 101 57.093 -7.892 -3.596 1.00 22.64 C ATOM 3117 O ASP C 101 56.696 -8.867 -2.949 1.00 24.28 O ATOM 3118 CB ASP C 101 59.284 -7.553 -4.797 1.00 26.20 C ATOM 3119 CG ASP C 101 59.455 -8.914 -5.440 1.00 26.45 C ATOM 3120 OD1 ASP C 101 58.704 -9.833 -5.157 1.00 26.96 O ATOM 3121 OD2 ASP C 101 60.347 -9.051 -6.266 1.00 29.81 O ATOM 3122 H ASP C 101 58.918 -9.142 -2.333 1.00 20.00 H ATOM 3123 N GLY C 102 56.355 -7.268 -4.513 1.00 25.57 N ATOM 3124 CA GLY C 102 54.946 -7.513 -4.755 1.00 23.79 C ATOM 3125 C GLY C 102 54.644 -8.871 -5.341 1.00 25.13 C ATOM 3126 O GLY C 102 53.506 -9.130 -5.729 1.00 29.02 O ATOM 3127 H GLY C 102 56.767 -6.565 -5.067 1.00 20.00 H ATOM 3128 N ASN C 103 55.596 -9.777 -5.505 1.00 27.07 N ATOM 3129 CA ASN C 103 55.295 -11.128 -5.952 1.00 26.46 C ATOM 3130 C ASN C 103 55.773 -12.162 -4.942 1.00 24.51 C ATOM 3131 O ASN C 103 55.651 -13.376 -5.142 1.00 24.19 O ATOM 3132 CB ASN C 103 55.947 -11.372 -7.306 1.00 34.34 C ATOM 3133 CG ASN C 103 55.280 -10.524 -8.386 1.00 41.22 C ATOM 3134 OD1 ASN C 103 55.518 -9.317 -8.525 1.00 46.32 O ATOM 3135 ND2 ASN C 103 54.357 -11.048 -9.181 1.00 45.56 N ATOM 3136 H ASN C 103 56.527 -9.514 -5.393 1.00 20.00 H ATOM 3137 HD21 ASN C 103 53.950 -10.451 -9.849 1.00 0.00 H ATOM 3138 HD22 ASN C 103 54.118 -11.991 -9.078 1.00 0.00 H ATOM 3139 N GLY C 104 56.178 -11.693 -3.765 1.00 22.31 N ATOM 3140 CA GLY C 104 56.797 -12.546 -2.773 1.00 23.18 C ATOM 3141 C GLY C 104 55.871 -13.511 -2.058 1.00 20.36 C ATOM 3142 O GLY C 104 56.389 -14.459 -1.454 1.00 20.48 O ATOM 3143 H GLY C 104 56.010 -10.760 -3.529 1.00 20.00 H ATOM 3144 N MET C 105 54.531 -13.350 -2.068 1.00 20.34 N ATOM 3145 CA MET C 105 53.687 -14.317 -1.355 1.00 18.70 C ATOM 3146 C MET C 105 53.598 -15.696 -1.985 1.00 18.68 C ATOM 3147 O MET C 105 53.123 -16.664 -1.378 1.00 16.66 O ATOM 3148 CB MET C 105 52.291 -13.760 -1.169 1.00 18.56 C ATOM 3149 CG MET C 105 52.296 -12.861 0.062 1.00 20.31 C ATOM 3150 SD MET C 105 50.649 -12.563 0.754 1.00 22.41 S ATOM 3151 CE MET C 105 50.602 -14.036 1.750 1.00 23.58 C ATOM 3152 H MET C 105 54.152 -12.550 -2.498 1.00 20.00 H ATOM 3153 N ASN C 106 54.151 -15.805 -3.195 1.00 20.54 N ATOM 3154 CA ASN C 106 54.347 -17.086 -3.869 1.00 23.16 C ATOM 3155 C ASN C 106 55.284 -18.007 -3.095 1.00 22.55 C ATOM 3156 O ASN C 106 55.391 -19.196 -3.379 1.00 24.80 O ATOM 3157 CB ASN C 106 54.926 -16.864 -5.249 1.00 30.01 C ATOM 3158 CG ASN C 106 53.933 -16.322 -6.258 1.00 31.39 C ATOM 3159 OD1 ASN C 106 52.860 -16.873 -6.489 1.00 38.43 O ATOM 3160 ND2 ASN C 106 54.225 -15.214 -6.914 1.00 33.09 N ATOM 3161 H ASN C 106 54.393 -14.979 -3.674 1.00 20.00 H ATOM 3162 HD21 ASN C 106 53.545 -14.867 -7.521 1.00 0.00 H ATOM 3163 HD22 ASN C 106 55.091 -14.788 -6.727 1.00 0.00 H ATOM 3164 N ALA C 107 56.011 -17.470 -2.110 1.00 20.73 N ATOM 3165 CA ALA C 107 56.770 -18.252 -1.159 1.00 20.72 C ATOM 3166 C ALA C 107 55.927 -19.289 -0.396 1.00 24.44 C ATOM 3167 O ALA C 107 56.457 -20.242 0.200 1.00 25.75 O ATOM 3168 CB ALA C 107 57.391 -17.313 -0.157 1.00 19.87 C ATOM 3169 H ALA C 107 56.093 -16.493 -2.082 1.00 20.00 H ATOM 3170 N TRP C 108 54.607 -19.080 -0.306 1.00 24.86 N ATOM 3171 CA TRP C 108 53.693 -20.016 0.320 1.00 23.67 C ATOM 3172 C TRP C 108 52.902 -20.650 -0.806 1.00 24.23 C ATOM 3173 O TRP C 108 52.082 -20.006 -1.465 1.00 23.84 O ATOM 3174 CB TRP C 108 52.761 -19.281 1.318 1.00 22.25 C ATOM 3175 CG TRP C 108 53.559 -18.738 2.508 1.00 24.40 C ATOM 3176 CD1 TRP C 108 53.886 -19.576 3.541 1.00 24.18 C ATOM 3177 CD2 TRP C 108 54.110 -17.473 2.678 1.00 21.48 C ATOM 3178 NE1 TRP C 108 54.646 -18.865 4.341 1.00 22.42 N ATOM 3179 CE2 TRP C 108 54.806 -17.621 3.872 1.00 20.45 C ATOM 3180 CE3 TRP C 108 54.145 -16.255 2.033 1.00 19.55 C ATOM 3181 CZ2 TRP C 108 55.535 -16.592 4.431 1.00 19.35 C ATOM 3182 CZ3 TRP C 108 54.870 -15.215 2.595 1.00 19.79 C ATOM 3183 CH2 TRP C 108 55.557 -15.378 3.776 1.00 18.09 C ATOM 3184 H TRP C 108 54.225 -18.266 -0.687 1.00 20.00 H ATOM 3185 HE1 TRP C 108 54.985 -19.216 5.194 1.00 20.00 H ATOM 3186 N VAL C 109 53.141 -21.938 -1.046 1.00 25.81 N ATOM 3187 CA VAL C 109 52.430 -22.717 -2.060 1.00 26.79 C ATOM 3188 C VAL C 109 50.920 -22.692 -1.787 1.00 23.63 C ATOM 3189 O VAL C 109 50.142 -22.478 -2.718 1.00 24.61 O ATOM 3190 CB VAL C 109 52.939 -24.208 -2.087 1.00 27.57 C ATOM 3191 CG1 VAL C 109 52.274 -24.978 -3.221 1.00 28.80 C ATOM 3192 CG2 VAL C 109 54.430 -24.246 -2.351 1.00 28.23 C ATOM 3193 H VAL C 109 53.856 -22.363 -0.525 1.00 20.00 H ATOM 3194 N ALA C 110 50.455 -22.863 -0.547 1.00 23.78 N ATOM 3195 CA ALA C 110 49.025 -22.804 -0.260 1.00 24.12 C ATOM 3196 C ALA C 110 48.399 -21.464 -0.644 1.00 22.62 C ATOM 3197 O ALA C 110 47.291 -21.466 -1.176 1.00 21.69 O ATOM 3198 CB ALA C 110 48.731 -23.030 1.223 1.00 22.90 C ATOM 3199 H ALA C 110 51.072 -23.177 0.144 1.00 20.00 H ATOM 3200 N TRP C 111 49.061 -20.311 -0.440 1.00 21.60 N ATOM 3201 CA TRP C 111 48.514 -19.015 -0.846 1.00 21.88 C ATOM 3202 C TRP C 111 48.379 -18.974 -2.374 1.00 22.32 C ATOM 3203 O TRP C 111 47.346 -18.526 -2.890 1.00 19.59 O ATOM 3204 CB TRP C 111 49.429 -17.812 -0.393 1.00 19.75 C ATOM 3205 CG TRP C 111 48.983 -16.457 -0.973 1.00 21.91 C ATOM 3206 CD1 TRP C 111 48.028 -15.696 -0.331 1.00 20.76 C ATOM 3207 CD2 TRP C 111 49.375 -15.892 -2.174 1.00 21.33 C ATOM 3208 NE1 TRP C 111 47.805 -14.681 -1.119 1.00 18.86 N ATOM 3209 CE2 TRP C 111 48.578 -14.754 -2.216 1.00 20.91 C ATOM 3210 CE3 TRP C 111 50.265 -16.162 -3.209 1.00 18.97 C ATOM 3211 CZ2 TRP C 111 48.652 -13.876 -3.280 1.00 20.36 C ATOM 3212 CZ3 TRP C 111 50.338 -15.275 -4.271 1.00 20.09 C ATOM 3213 CH2 TRP C 111 49.537 -14.142 -4.307 1.00 20.23 C ATOM 3214 H TRP C 111 49.924 -20.327 0.021 1.00 20.00 H ATOM 3215 HE1 TRP C 111 47.196 -13.934 -0.923 1.00 20.00 H ATOM 3216 N ARG C 112 49.398 -19.414 -3.122 1.00 23.01 N ATOM 3217 CA ARG C 112 49.351 -19.330 -4.563 1.00 26.71 C ATOM 3218 C ARG C 112 48.252 -20.217 -5.139 1.00 25.18 C ATOM 3219 O ARG C 112 47.492 -19.823 -6.035 1.00 24.03 O ATOM 3220 CB ARG C 112 50.704 -19.736 -5.125 1.00 31.82 C ATOM 3221 CG ARG C 112 50.751 -19.576 -6.645 1.00 39.86 C ATOM 3222 CD ARG C 112 51.816 -20.480 -7.235 1.00 48.39 C ATOM 3223 NE ARG C 112 53.159 -20.128 -6.787 1.00 54.79 N ATOM 3224 CZ ARG C 112 53.918 -20.926 -6.030 1.00 57.33 C ATOM 3225 NH1 ARG C 112 53.476 -22.091 -5.545 1.00 60.44 N ATOM 3226 NH2 ARG C 112 55.137 -20.510 -5.727 1.00 57.41 N ATOM 3227 H ARG C 112 50.222 -19.721 -2.682 1.00 20.00 H ATOM 3228 HE ARG C 112 53.507 -19.238 -6.994 1.00 20.00 H ATOM 3229 HH11 ARG C 112 52.538 -22.386 -5.731 1.00 0.00 H ATOM 3230 HH12 ARG C 112 54.070 -22.648 -4.967 1.00 0.00 H ATOM 3231 HH21 ARG C 112 55.454 -19.623 -6.062 1.00 0.00 H ATOM 3232 HH22 ARG C 112 55.735 -21.082 -5.167 1.00 0.00 H ATOM 3233 N ASN C 113 48.115 -21.424 -4.612 1.00 25.31 N ATOM 3234 CA ASN C 113 47.126 -22.342 -5.152 1.00 28.31 C ATOM 3235 C ASN C 113 45.740 -22.219 -4.551 1.00 27.07 C ATOM 3236 O ASN C 113 44.768 -22.590 -5.210 1.00 28.40 O ATOM 3237 CB ASN C 113 47.607 -23.798 -4.991 1.00 30.99 C ATOM 3238 CG ASN C 113 48.806 -24.167 -5.870 1.00 34.03 C ATOM 3239 OD1 ASN C 113 49.661 -24.966 -5.497 1.00 36.61 O ATOM 3240 ND2 ASN C 113 49.025 -23.622 -7.051 1.00 32.73 N ATOM 3241 H ASN C 113 48.728 -21.709 -3.904 1.00 20.00 H ATOM 3242 HD21 ASN C 113 49.692 -24.061 -7.607 1.00 0.00 H ATOM 3243 HD22 ASN C 113 48.489 -22.863 -7.374 1.00 0.00 H ATOM 3244 N ARG C 114 45.615 -21.731 -3.317 1.00 23.80 N ATOM 3245 CA ARG C 114 44.318 -21.628 -2.665 1.00 23.39 C ATOM 3246 C ARG C 114 43.825 -20.226 -2.313 1.00 21.63 C ATOM 3247 O ARG C 114 42.619 -20.051 -2.106 1.00 19.19 O ATOM 3248 CB ARG C 114 44.319 -22.500 -1.390 1.00 26.22 C ATOM 3249 CG ARG C 114 44.842 -23.923 -1.634 1.00 34.16 C ATOM 3250 CD ARG C 114 44.311 -24.983 -0.673 1.00 39.95 C ATOM 3251 NE ARG C 114 42.957 -25.433 -1.006 1.00 47.06 N ATOM 3252 CZ ARG C 114 42.345 -26.437 -0.336 1.00 49.93 C ATOM 3253 NH1 ARG C 114 42.938 -27.063 0.689 1.00 50.38 N ATOM 3254 NH2 ARG C 114 41.107 -26.822 -0.674 1.00 49.60 N ATOM 3255 H ARG C 114 46.427 -21.503 -2.823 1.00 20.00 H ATOM 3256 HE ARG C 114 42.470 -24.989 -1.732 1.00 20.00 H ATOM 3257 HH11 ARG C 114 43.852 -26.790 0.987 1.00 0.00 H ATOM 3258 HH12 ARG C 114 42.458 -27.800 1.163 1.00 0.00 H ATOM 3259 HH21 ARG C 114 40.627 -26.373 -1.429 1.00 0.00 H ATOM 3260 HH22 ARG C 114 40.669 -27.570 -0.178 1.00 0.00 H ATOM 3261 N CYS C 115 44.659 -19.192 -2.262 1.00 17.18 N ATOM 3262 CA CYS C 115 44.156 -17.865 -1.929 1.00 16.02 C ATOM 3263 C CYS C 115 44.185 -16.910 -3.098 1.00 16.52 C ATOM 3264 O CYS C 115 43.254 -16.129 -3.300 1.00 13.66 O ATOM 3265 CB CYS C 115 44.979 -17.269 -0.797 1.00 17.08 C ATOM 3266 SG CYS C 115 44.954 -18.283 0.702 1.00 18.57 S ATOM 3267 H CYS C 115 45.611 -19.362 -2.400 1.00 20.00 H ATOM 3268 N LYS C 116 45.245 -16.958 -3.901 1.00 17.35 N ATOM 3269 CA LYS C 116 45.438 -16.031 -4.997 1.00 16.64 C ATOM 3270 C LYS C 116 44.300 -16.207 -5.993 1.00 15.86 C ATOM 3271 O LYS C 116 44.003 -17.319 -6.420 1.00 17.77 O ATOM 3272 CB LYS C 116 46.795 -16.325 -5.659 1.00 18.99 C ATOM 3273 CG LYS C 116 47.074 -15.350 -6.778 1.00 19.44 C ATOM 3274 CD LYS C 116 48.343 -15.704 -7.536 1.00 24.11 C ATOM 3275 CE LYS C 116 48.638 -14.564 -8.496 1.00 26.10 C ATOM 3276 NZ LYS C 116 49.651 -14.972 -9.461 1.00 29.40 N ATOM 3277 H LYS C 116 45.866 -17.709 -3.813 1.00 20.00 H ATOM 3278 HZ1 LYS C 116 49.285 -15.805 -9.959 1.00 20.00 H ATOM 3279 HZ2 LYS C 116 49.829 -14.199 -10.134 1.00 20.00 H ATOM 3280 HZ3 LYS C 116 50.535 -15.223 -8.971 1.00 20.00 H ATOM 3281 N GLY C 117 43.607 -15.107 -6.289 1.00 13.03 N ATOM 3282 CA GLY C 117 42.497 -15.118 -7.224 1.00 15.67 C ATOM 3283 C GLY C 117 41.137 -15.318 -6.553 1.00 17.49 C ATOM 3284 O GLY C 117 40.118 -15.301 -7.264 1.00 20.25 O ATOM 3285 H GLY C 117 43.765 -14.289 -5.756 1.00 20.00 H ATOM 3286 N THR C 118 41.063 -15.479 -5.232 1.00 13.87 N ATOM 3287 CA THR C 118 39.788 -15.656 -4.568 1.00 14.70 C ATOM 3288 C THR C 118 39.534 -14.369 -3.771 1.00 14.99 C ATOM 3289 O THR C 118 40.436 -13.507 -3.648 1.00 12.40 O ATOM 3290 CB THR C 118 39.839 -16.910 -3.642 1.00 12.18 C ATOM 3291 OG1 THR C 118 40.677 -16.616 -2.532 1.00 13.35 O ATOM 3292 CG2 THR C 118 40.372 -18.134 -4.356 1.00 14.39 C ATOM 3293 H THR C 118 41.845 -15.313 -4.670 1.00 20.00 H ATOM 3294 HG1 THR C 118 41.594 -16.643 -2.816 1.00 20.00 H ATOM 3295 N ASP C 119 38.359 -14.214 -3.158 1.00 14.30 N ATOM 3296 CA ASP C 119 38.043 -13.063 -2.354 1.00 14.08 C ATOM 3297 C ASP C 119 38.634 -13.221 -0.953 1.00 14.98 C ATOM 3298 O ASP C 119 37.955 -13.527 0.039 1.00 13.47 O ATOM 3299 CB ASP C 119 36.522 -12.914 -2.307 1.00 16.44 C ATOM 3300 CG ASP C 119 36.014 -11.670 -1.540 1.00 18.06 C ATOM 3301 OD1 ASP C 119 36.713 -10.659 -1.387 1.00 14.83 O ATOM 3302 OD2 ASP C 119 34.875 -11.725 -1.084 1.00 19.73 O ATOM 3303 H ASP C 119 37.735 -14.962 -3.163 1.00 20.00 H ATOM 3304 N VAL C 120 39.953 -12.975 -0.845 1.00 12.75 N ATOM 3305 CA VAL C 120 40.659 -13.058 0.433 1.00 13.72 C ATOM 3306 C VAL C 120 40.151 -12.057 1.493 1.00 12.75 C ATOM 3307 O VAL C 120 40.237 -12.326 2.693 1.00 14.31 O ATOM 3308 CB VAL C 120 42.206 -12.864 0.195 1.00 13.76 C ATOM 3309 CG1 VAL C 120 42.686 -14.050 -0.665 1.00 14.75 C ATOM 3310 CG2 VAL C 120 42.542 -11.499 -0.440 1.00 11.09 C ATOM 3311 H VAL C 120 40.457 -12.861 -1.675 1.00 20.00 H ATOM 3312 N GLN C 121 39.642 -10.878 1.087 1.00 12.99 N ATOM 3313 CA GLN C 121 38.958 -9.933 1.950 1.00 11.25 C ATOM 3314 C GLN C 121 37.810 -10.585 2.742 1.00 11.38 C ATOM 3315 O GLN C 121 37.530 -10.114 3.853 1.00 14.93 O ATOM 3316 CB GLN C 121 38.405 -8.788 1.104 1.00 9.46 C ATOM 3317 CG GLN C 121 37.943 -7.575 1.917 1.00 12.45 C ATOM 3318 CD GLN C 121 37.149 -6.618 1.061 1.00 13.53 C ATOM 3319 OE1 GLN C 121 35.938 -6.740 0.878 1.00 14.41 O ATOM 3320 NE2 GLN C 121 37.809 -5.618 0.504 1.00 11.81 N ATOM 3321 H GLN C 121 39.967 -10.564 0.220 1.00 20.00 H ATOM 3322 HE21 GLN C 121 37.291 -4.973 -0.028 1.00 0.00 H ATOM 3323 HE22 GLN C 121 38.773 -5.552 0.668 1.00 0.00 H ATOM 3324 N ALA C 122 37.140 -11.644 2.240 1.00 10.01 N ATOM 3325 CA ALA C 122 36.118 -12.364 2.989 1.00 14.18 C ATOM 3326 C ALA C 122 36.636 -12.829 4.361 1.00 16.36 C ATOM 3327 O ALA C 122 35.884 -12.813 5.342 1.00 18.71 O ATOM 3328 CB ALA C 122 35.649 -13.578 2.207 1.00 12.48 C ATOM 3329 H ALA C 122 37.316 -11.953 1.321 1.00 20.00 H ATOM 3330 N TRP C 123 37.938 -13.140 4.484 1.00 16.45 N ATOM 3331 CA TRP C 123 38.497 -13.546 5.756 1.00 15.85 C ATOM 3332 C TRP C 123 38.546 -12.435 6.789 1.00 17.94 C ATOM 3333 O TRP C 123 38.719 -12.745 7.962 1.00 18.86 O ATOM 3334 CB TRP C 123 39.920 -14.102 5.588 1.00 15.32 C ATOM 3335 CG TRP C 123 39.947 -15.456 4.896 1.00 15.58 C ATOM 3336 CD1 TRP C 123 40.219 -15.535 3.566 1.00 17.38 C ATOM 3337 CD2 TRP C 123 39.647 -16.672 5.454 1.00 20.56 C ATOM 3338 NE1 TRP C 123 40.085 -16.805 3.261 1.00 19.53 N ATOM 3339 CE2 TRP C 123 39.747 -17.513 4.352 1.00 22.06 C ATOM 3340 CE3 TRP C 123 39.308 -17.180 6.695 1.00 23.55 C ATOM 3341 CZ2 TRP C 123 39.507 -18.878 4.461 1.00 26.74 C ATOM 3342 CZ3 TRP C 123 39.062 -18.541 6.807 1.00 23.69 C ATOM 3343 CH2 TRP C 123 39.156 -19.387 5.705 1.00 26.39 C ATOM 3344 H TRP C 123 38.517 -13.141 3.693 1.00 20.00 H ATOM 3345 HE1 TRP C 123 40.150 -17.149 2.328 1.00 20.00 H ATOM 3346 N ILE C 124 38.447 -11.150 6.448 1.00 15.34 N ATOM 3347 CA ILE C 124 38.528 -10.110 7.466 1.00 16.42 C ATOM 3348 C ILE C 124 37.262 -9.271 7.592 1.00 14.93 C ATOM 3349 O ILE C 124 37.152 -8.429 8.495 1.00 18.15 O ATOM 3350 CB ILE C 124 39.802 -9.189 7.186 1.00 17.78 C ATOM 3351 CG1 ILE C 124 39.968 -8.704 5.767 1.00 19.86 C ATOM 3352 CG2 ILE C 124 41.026 -10.030 7.460 1.00 18.19 C ATOM 3353 CD1 ILE C 124 39.359 -7.336 5.469 1.00 24.33 C ATOM 3354 H ILE C 124 38.337 -10.907 5.508 1.00 20.00 H ATOM 3355 N ARG C 125 36.288 -9.428 6.697 1.00 14.51 N ATOM 3356 CA ARG C 125 35.069 -8.629 6.757 1.00 15.86 C ATOM 3357 C ARG C 125 34.303 -8.956 8.036 1.00 17.07 C ATOM 3358 O ARG C 125 34.173 -10.124 8.438 1.00 15.80 O ATOM 3359 CB ARG C 125 34.188 -8.906 5.536 1.00 13.90 C ATOM 3360 CG ARG C 125 34.855 -8.361 4.247 1.00 13.09 C ATOM 3361 CD ARG C 125 33.831 -7.962 3.218 1.00 11.94 C ATOM 3362 NE ARG C 125 33.190 -9.124 2.634 1.00 14.64 N ATOM 3363 CZ ARG C 125 33.718 -9.850 1.641 1.00 15.41 C ATOM 3364 NH1 ARG C 125 34.807 -9.477 0.989 1.00 14.50 N ATOM 3365 NH2 ARG C 125 33.091 -10.943 1.218 1.00 14.73 N ATOM 3366 H ARG C 125 36.387 -10.099 5.987 1.00 20.00 H ATOM 3367 HE ARG C 125 32.298 -9.382 2.940 1.00 20.00 H ATOM 3368 HH11 ARG C 125 35.285 -8.627 1.209 1.00 0.00 H ATOM 3369 HH12 ARG C 125 35.153 -10.076 0.264 1.00 0.00 H ATOM 3370 HH21 ARG C 125 32.216 -11.207 1.622 1.00 0.00 H ATOM 3371 HH22 ARG C 125 33.495 -11.490 0.484 1.00 0.00 H ATOM 3372 N GLY C 126 33.858 -7.931 8.758 1.00 17.12 N ATOM 3373 CA GLY C 126 33.159 -8.123 10.020 1.00 18.29 C ATOM 3374 C GLY C 126 34.129 -8.207 11.217 1.00 21.52 C ATOM 3375 O GLY C 126 33.668 -8.420 12.344 1.00 21.67 O ATOM 3376 H GLY C 126 34.066 -7.006 8.479 1.00 20.00 H ATOM 3377 N CYS C 127 35.462 -8.137 11.033 1.00 19.71 N ATOM 3378 CA CYS C 127 36.426 -8.115 12.119 1.00 20.48 C ATOM 3379 C CYS C 127 36.630 -6.659 12.485 1.00 23.81 C ATOM 3380 O CYS C 127 36.584 -5.778 11.626 1.00 24.18 O ATOM 3381 CB CYS C 127 37.744 -8.681 11.693 1.00 17.62 C ATOM 3382 SG CYS C 127 37.655 -10.399 11.155 1.00 22.63 S ATOM 3383 H CYS C 127 35.828 -8.108 10.124 1.00 20.00 H ATOM 3384 N ARG C 128 36.874 -6.396 13.759 1.00 32.84 N ATOM 3385 CA ARG C 128 37.030 -5.048 14.279 1.00 43.55 C ATOM 3386 C ARG C 128 38.457 -4.628 13.980 1.00 46.95 C ATOM 3387 O ARG C 128 39.424 -5.181 14.519 1.00 46.53 O ATOM 3388 CB ARG C 128 36.764 -5.058 15.786 1.00 50.03 C ATOM 3389 CG ARG C 128 36.612 -3.683 16.431 1.00 59.75 C ATOM 3390 CD ARG C 128 36.604 -3.805 17.958 1.00 65.16 C ATOM 3391 NE ARG C 128 37.895 -4.275 18.448 1.00 71.12 N ATOM 3392 CZ ARG C 128 38.020 -5.142 19.465 1.00 73.66 C ATOM 3393 NH1 ARG C 128 36.954 -5.613 20.120 1.00 75.84 N ATOM 3394 NH2 ARG C 128 39.238 -5.540 19.843 1.00 73.91 N ATOM 3395 H ARG C 128 37.024 -7.150 14.366 1.00 20.00 H ATOM 3396 HE ARG C 128 38.712 -3.940 18.022 1.00 20.00 H ATOM 3397 HH11 ARG C 128 36.039 -5.318 19.854 1.00 0.00 H ATOM 3398 HH12 ARG C 128 37.073 -6.262 20.872 1.00 0.00 H ATOM 3399 HH21 ARG C 128 40.046 -5.195 19.366 1.00 0.00 H ATOM 3400 HH22 ARG C 128 39.341 -6.194 20.594 1.00 0.00 H ATOM 3401 N LEU C 129 38.492 -3.758 12.977 1.00 51.75 N ATOM 3402 CA LEU C 129 39.649 -3.082 12.400 1.00 56.30 C ATOM 3403 C LEU C 129 39.135 -2.408 11.098 1.00 62.36 C ATOM 3404 O LEU C 129 39.828 -1.549 10.545 1.00 66.29 O ATOM 3405 CB LEU C 129 40.804 -4.087 12.071 1.00 51.28 C ATOM 3406 CG LEU C 129 40.554 -5.439 11.385 1.00 48.17 C ATOM 3407 CD1 LEU C 129 40.520 -5.331 9.872 1.00 48.24 C ATOM 3408 CD2 LEU C 129 41.677 -6.354 11.766 1.00 46.76 C ATOM 3409 OXT LEU C 129 38.040 -2.739 10.596 1.00 65.27 O ATOM 3410 H LEU C 129 37.655 -3.572 12.500 1.00 20.00 H TER 3411 LEU C 129 HETATM 3412 O HOH A 145 35.561 -6.901 -2.868 1.00 13.88 O HETATM 3413 O HOH A 173 42.636 -4.570 5.021 1.00 17.05 O HETATM 3414 O HOH A 174 41.039 -2.536 6.173 1.00 31.75 O HETATM 3415 O HOH A 179 42.290 -0.805 -2.983 1.00 15.94 O HETATM 3416 O HOH A 183 53.298 -1.349 -2.696 1.00 47.67 O HETATM 3417 O HOH A 271 38.792 -3.073 7.863 1.00 47.31 O HETATM 3418 O HOH A 292 39.384 3.010 7.290 1.00 52.29 O HETATM 3419 O HOH A 358 45.837 2.208 5.730 1.00 58.11 O HETATM 3420 O HOH B 149 40.823 -8.836 -5.573 1.00 11.64 O HETATM 3421 O HOH B 150 48.859 -7.769 -4.185 1.00 20.00 O HETATM 3422 O HOH B 177 46.603 -11.485 -5.553 1.00 30.35 O HETATM 3423 O HOH B 178 45.244 -12.017 -7.868 1.00 24.16 O HETATM 3424 O HOH B 180 44.143 -3.171 -2.294 1.00 22.67 O HETATM 3425 O HOH B 218 49.437 -15.760 -14.106 1.00 24.47 O HETATM 3426 O HOH B 223 42.678 -10.685 -6.762 1.00 33.13 O HETATM 3427 O HOH B 245 41.781 -18.746 -7.765 1.00 42.46 O HETATM 3428 O HOH B 246 50.518 -10.300 -9.273 1.00 56.97 O HETATM 3429 O HOH B 257 48.902 -10.052 -5.792 1.00 34.64 O HETATM 3430 O HOH B 276 51.079 -14.151 -12.633 1.00 46.59 O HETATM 3431 O HOH B 306 51.127 -9.853 -13.715 1.00 55.16 O HETATM 3432 O HOH B 308 50.339 -18.373 -14.275 1.00 54.26 O HETATM 3433 O HOH B 322 51.544 -8.686 -11.377 1.00 43.56 O HETATM 3434 O HOH C 152 41.988 -8.241 2.200 1.00 14.67 O HETATM 3435 O HOH C 155 51.590 -6.853 -4.292 1.00 23.55 O HETATM 3436 O HOH C 156 30.653 -10.410 3.801 1.00 30.68 O HETATM 3437 O HOH C 169 43.046 -12.659 -4.783 1.00 24.47 O HETATM 3438 O HOH C 181 46.412 -4.001 -0.893 1.00 21.98 O HETATM 3439 O HOH C 198 39.597 0.596 8.920 1.00 57.39 O HETATM 3440 O HOH C 200 45.299 -3.744 1.784 1.00 34.50 O HETATM 3441 O HOH C 222 44.846 -11.115 -3.394 1.00 22.20 O HETATM 3442 O HOH C 227 55.126 -2.056 1.698 1.00 28.45 O HETATM 3443 O HOH C 228 51.752 -11.562 -6.036 1.00 33.56 O HETATM 3444 O HOH C 233 48.321 -0.093 5.556 1.00 43.33 O HETATM 3445 O HOH C 244 44.698 -19.813 -7.000 1.00 41.02 O HETATM 3446 O HOH C 272 47.502 -18.827 -9.730 1.00 55.04 O HETATM 3447 O HOH C 273 56.807 -6.469 -7.287 1.00 58.87 O HETATM 3448 O HOH C 277 48.608 -16.858 -11.499 1.00 42.15 O HETATM 3449 O HOH C 282 34.809 -5.115 8.873 1.00 36.35 O HETATM 3450 O HOH C 291 36.428 -15.894 -4.022 1.00 20.81 O HETATM 3451 O HOH C 294 49.133 1.139 3.159 1.00 46.33 O HETATM 3452 O HOH C 296 52.384 -0.768 -0.068 1.00 46.30 O HETATM 3453 O HOH C 304 34.095 -9.126 -2.484 1.00 28.84 O HETATM 3454 O HOH C 309 41.847 -20.970 -6.074 1.00 54.35 O HETATM 3455 O HOH C 310 49.356 -22.166 -9.117 1.00 62.39 O HETATM 3456 O HOH C 333 54.042 -6.777 -8.269 1.00 48.96 O HETATM 3457 O HOH C 365 54.798 -3.862 -4.268 1.00 50.76 O HETATM 3458 O HOH C 377 53.580 -0.748 3.513 1.00 53.51 O HETATM 3459 O HOH C 384 37.544 -5.364 8.597 1.00 45.35 O CONECT 191 825 CONECT 825 191 CONECT 1210 1922 CONECT 1922 1210 CONECT 2208 3382 CONECT 2445 3266 CONECT 2791 2940 CONECT 2906 3055 CONECT 2940 2791 CONECT 3055 2906 CONECT 3266 2445 CONECT 3382 2208 MASTER 294 2 0 10 28 0 0 6 3456 3 12 28 END
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Related entries of code: 1vfb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1dqj
RCSB PDB
PDBbind
hen egg white lysozyme
1mlc
RCSB PDB
PDBbind
HEN EGG WHITE LYSOZYME
Entry Information
PDB ID
1vfb
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Fv fragment of the anti-hen egg white lysozyme antibody D1.3
Ligand Name
hen egg white lysozyme
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=3.7nM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
Proc Natl Acad Sci U S A. 1994 Feb 1; 91(3):1089-93
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):
P01635
P01820
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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