USER MOD reduce.3.24.130724 H: found=0, std=0, add=1642, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 479 hydrogens (86 hets) HEADER COMPLEX (TRANSFERASE/PEPTIDE) 10-DEC-97 1A1C TITLE C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(- TITLE 2 (CH2)3-CYCLOPENTYL)) COMPND MOL_ID: 1; COMPND 2 MOLECULE: C-SRC TYROSINE KINASE; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: SH2 DOMAIN; COMPND 5 EC: 2.7.1.112; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)); COMPND 9 CHAIN: C, D; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 GENE: SRC; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 0 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET11B; SOURCE 2 EXPRESSION_SYSTEM_GENE: SRC; SOURCE 3 MOL_ID: 2 KEYWDS COMPLEX (TRANSFERASE/PEPTIDE) EXPDTA X-RAY DIFFRACTION AUTHOR L.SHEWCHUK,S.JORDAN REVDAT 2 24-FEB-09 1A1C 1 VERSN REVDAT 1 08-APR-98 1A1C 0 JRNL AUTH P.S.CHARIFSON,L.M.SHEWCHUK,W.ROCQUE,C.W.HUMMEL, JRNL AUTH 2 S.R.JORDAN,C.MOHR,G.J.PACOFSKY,M.R.PEEL, JRNL AUTH 3 M.RODRIGUEZ,D.D.STERNBACH,T.G.CONSLER JRNL TITL PEPTIDE LIGANDS OF PP60(C-SRC) SH2 DOMAINS: A JRNL TITL 2 THERMODYNAMIC AND STRUCTURAL STUDY. JRNL REF BIOCHEMISTRY V. 36 6283 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9174343 JRNL DOI 10.1021/BI970019N REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.0 REMARK 3 NUMBER OF REFLECTIONS : 9149 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) : 0.186 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 : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.50 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 83.00 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 : 1645 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 76 REMARK 3 SOLVENT ATOMS : 42 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) : 0.017 REMARK 3 BOND ANGLES (DEGREES) : 3.37 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.24 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.30 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 : UNRESTRAINED 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 : PARAM19X.PRO REMARK 3 PARAMETER FILE 2 : PARAM19.PTY REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH19.PTY REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: PARTIALLY REFINED. NO SITE CHAIN REMARK 3 DENSITY FOR THE FOLLOWING RESIDUES, THEREFORE MODELLED AS ALA: REMARK 3 LYS A 184, ASN A 196, LYS A 198, GLN B 147, LYS B 155, ARG B REMARK 3 159, GLU B 169, LYS B 184, ASN B 196, LYS B 198, ASP B 211, REMARK 3 LYS B 235. NO DENSITY VISIBLE FOR THE FOLLOWING RESIDUES, REMARK 3 THEREFORE NOT INCLUDED IN THE MODEL: MET A 143, ASP A 144, MET REMARK 3 B 143, ASP B 144, SER 145. REMARK 4 REMARK 4 1A1C 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 : MAR-94 REMARK 200 TEMPERATURE (KELVIN) : 295 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : SIEMENS REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : BIOTEX REMARK 200 DATA SCALING SOFTWARE : BIOTEX REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9865 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.0 REMARK 200 DATA REDUNDANCY : 3.200 REMARK 200 R MERGE (I) : 0.06100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50 REMARK 200 COMPLETENESS FOR SHELL (%) : 83.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.70 REMARK 200 R MERGE FOR SHELL (I) : 0.17800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: PDB ENTRY 1SHD REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 0.1 M REMARK 280 ACETATE, PH 4.6,2M AMMONIUM SULFATE AT 22 C., TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.85000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 37.80000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 33.45000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 37.80000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.85000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 33.45000 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: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 143 REMARK 465 ASP A 144 REMARK 465 MET B 143 REMARK 465 ASP B 144 REMARK 465 SER B 145 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 184 CG CD CE NZ REMARK 470 ASN A 196 CG OD1 ND2 REMARK 470 LYS A 198 CG CD CE NZ REMARK 470 GLN B 147 CG CD OE1 NE2 REMARK 470 LYS B 155 CG CD CE NZ REMARK 470 ARG B 159 CG CD NE CZ NH1 NH2 REMARK 470 GLU B 169 CG CD OE1 OE2 REMARK 470 LYS B 184 CG CD CE NZ REMARK 470 ASN B 196 CG OD1 ND2 REMARK 470 LYS B 198 CG CD CE NZ REMARK 470 ASP B 211 CG OD1 OD2 REMARK 470 LYS B 235 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 512 O HOH A 539 1.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 242 NE2 HIS A 242 CD2 -0.070 REMARK 500 HIS B 204 NE2 HIS B 204 CD2 -0.083 REMARK 500 HIS B 242 NE2 HIS B 242 CD2 -0.080 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 151 CD1 - CG - CD2 ANGL. DEV. = 5.6 DEGREES REMARK 500 TRP A 151 CB - CG - CD1 ANGL. DEV. = -9.1 DEGREES REMARK 500 TRP A 151 CE2 - CD2 - CG ANGL. DEV. = -6.1 DEGREES REMARK 500 TRP A 151 CG - CD2 - CE3 ANGL. DEV. = 5.8 DEGREES REMARK 500 ARG A 158 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 ARG A 158 NE - CZ - NH2 ANGL. DEV. = -6.8 DEGREES REMARK 500 ARG A 159 NE - CZ - NH2 ANGL. DEV. = -5.3 DEGREES REMARK 500 ARG A 163 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 178 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 THR A 182 CA - CB - CG2 ANGL. DEV. = 9.3 DEGREES REMARK 500 ARG A 220 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG A 220 NE - CZ - NH2 ANGL. DEV. = -4.8 DEGREES REMARK 500 TRP B 151 CD1 - CG - CD2 ANGL. DEV. = 6.6 DEGREES REMARK 500 TRP B 151 CB - CG - CD1 ANGL. DEV. = -8.1 DEGREES REMARK 500 TRP B 151 CE2 - CD2 - CG ANGL. DEV. = -6.3 DEGREES REMARK 500 GLU B 160 CA - CB - CG ANGL. DEV. = -16.3 DEGREES REMARK 500 ARG B 163 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 VAL B 177 CG1 - CB - CG2 ANGL. DEV. = -10.0 DEGREES REMARK 500 THR B 221 CA - CB - CG2 ANGL. DEV. = 9.0 DEGREES REMARK 500 ARG B 243 NE - CZ - NH2 ANGL. DEV. = -3.9 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 ALA A 168 -32.94 -38.49 REMARK 500 THR A 245 -65.61 -95.66 REMARK 500 LYS B 155 36.48 -85.22 REMARK 500 THR B 245 -91.45 -111.40 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE C 100 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE D 100 DBREF 1A1C A 144 249 UNP P12931 SRC_HUMAN 143 248 DBREF 1A1C B 144 249 UNP P12931 SRC_HUMAN 143 248 DBREF 1A1C C 100 103 PDB 1A1C 1A1C 100 103 DBREF 1A1C D 100 103 PDB 1A1C 1A1C 100 103 SEQRES 1 A 107 MET ASP SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS SEQRES 2 A 107 ILE THR ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA SEQRES 3 A 107 GLU ASN PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU SEQRES 4 A 107 THR THR LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE SEQRES 5 A 107 ASP ASN ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE SEQRES 6 A 107 ARG LYS LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG SEQRES 7 A 107 THR GLN PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SEQRES 8 A 107 SER LYS HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR SEQRES 9 A 107 VAL CYS PRO SEQRES 1 B 107 MET ASP SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS SEQRES 2 B 107 ILE THR ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA SEQRES 3 B 107 GLU ASN PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU SEQRES 4 B 107 THR THR LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE SEQRES 5 B 107 ASP ASN ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE SEQRES 6 B 107 ARG LYS LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG SEQRES 7 B 107 THR GLN PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SEQRES 8 B 107 SER LYS HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR SEQRES 9 B 107 VAL CYS PRO SEQRES 1 C 4 ACE PTR GLU DIX SEQRES 1 D 4 ACE PTR GLU DIX MODRES 1A1C PTR C 101 TYR O-PHOSPHOTYROSINE MODRES 1A1C PTR D 101 TYR O-PHOSPHOTYROSINE HET ACE C 100 3 HET PTR C 101 17 HET DIX C 103 10 HET ACE D 100 3 HET PTR D 101 17 HET DIX D 103 10 HETNAM ACE ACETYL GROUP HETNAM PTR O-PHOSPHOTYROSINE HETNAM DIX METHYL(CYCLOPENTYL-PROPYL)AMINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 3 ACE 2(C2 H4 O) FORMUL 3 PTR 2(C9 H12 N O6 P) FORMUL 3 DIX 2(C9 H19 N) FORMUL 5 HOH *42(H2 O) HELIX 1 1 ILE A 146 ALA A 148 5 3 HELIX 2 2 ARG A 158 LEU A 165 1 8 HELIX 3 3 LEU A 226 LYS A 235 1 10 HELIX 4 4 ARG B 158 LEU B 165 1 8 HELIX 5 5 LEU B 226 LYS B 235 1 10 SHEET 1 A 3 PHE A 175 GLU A 179 0 SHEET 2 A 3 TYR A 187 ASP A 195 -1 N SER A 190 O LEU A 176 SHEET 3 A 3 GLY A 199 ILE A 207 -1 N ILE A 207 O TYR A 187 SHEET 1 B 3 PHE B 175 GLU B 179 0 SHEET 2 B 3 TYR B 187 ASP B 195 -1 N SER B 190 O LEU B 176 SHEET 3 B 3 GLY B 199 ILE B 207 -1 N ILE B 207 O TYR B 187 LINK C ACE C 100 N PTR C 101 1555 1555 1.33 LINK C PTR C 101 N GLU C 102 1555 1555 1.31 LINK N DIX C 103 C GLU C 102 1555 1555 1.33 LINK C ACE D 100 N PTR D 101 1555 1555 1.34 LINK C PTR D 101 N GLU D 102 1555 1555 1.30 LINK N DIX D 103 C GLU D 102 1555 1555 1.34 SITE *** AC1 2 ARG A 158 HOH C 502 SITE *** AC2 2 ARG B 158 HOH B 507 CRYST1 51.700 66.900 75.600 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019342 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014948 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013228 0.00000 MTRIX1 1 -0.793300 0.300500 -0.529500 98.19240 1 MTRIX2 1 0.304400 0.949000 0.082400 -1.08710 1 MTRIX3 1 0.527200 -0.095800 -0.844300 33.65920 1 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: C 101 PTR HN2 : C 101 PTR N : C 100 ACE C :(H bumps) USER MOD NoAdj-H: C 101 PTR H : C 101 PTR N : C 100 ACE C :(H bumps) USER MOD NoAdj-H: C 103 DIX HN : C 103 DIX N : C 102 GLU C :(H bumps) USER MOD NoAdj-H: D 101 PTR HN2 : D 101 PTR N : D 100 ACE C :(H bumps) USER MOD NoAdj-H: D 101 PTR H : D 101 PTR N : D 100 ACE C :(H bumps) USER MOD NoAdj-H: D 103 DIX HN : D 103 DIX N : D 102 GLU C :(H bumps) USER MOD Set 1.1: B 225 SER OG : rot -78:sc= 1.21 USER MOD Set 1.2: B 228 GLN : amide:sc= 1.02 K(o=2.2,f=1.6) USER MOD Set 2.1: B 205 TYR OH : rot 172:sc= 0.649 USER MOD Set 2.2: B 241 CYS SG : rot 110:sc= -1.15 USER MOD Set 3.1: B 201 ASN : amide:sc= 0.904 K(o=2.6,f=-5.7!) USER MOD Set 3.2: B 203 LYS NZ :NH3+ -143:sc= 1.71 (180deg=-0.845) USER MOD Set 4.1: B 161 SER OG : rot -17:sc= 0.238 USER MOD Set 4.2: B 188 CYS SG : rot -92:sc= -0.667 USER MOD Set 4.3: B 190 SER OG : rot -71:sc= 1.37 USER MOD Set 4.4: B 204 HIS : no HD1:sc= 1.77 K(o=2.7,f=-6.9!) USER MOD Set 5.1: B 183 THR OG1 : rot -120:sc= 1.06 USER MOD Set 5.2: B 206 LYS NZ :NH3+ -175:sc= 1.7 (180deg=0.529) USER MOD Set 6.1: A 245 THR OG1 : rot -130:sc= -0.0668 USER MOD Set 6.2: A 246 THR OG1 : rot -120:sc= 0 USER MOD Set 7.1: A 225 SER OG : rot 180:sc= 0.0013 USER MOD Set 7.2: A 227 GLN : amide:sc= 0.471 K(o=0.47,f=-5.7!) USER MOD Set 8.1: A 224 ASN : amide:sc= 0 X(o=-0.64,f=-0.64) USER MOD Set 8.2: A 228 GLN : amide:sc= -0.644 K(o=-0.64,f=-4!) USER MOD Set 9.1: A 183 THR OG1 : rot 5:sc= 1.03 USER MOD Set 9.2: A 206 LYS NZ :NH3+ -179:sc= 1.74 (180deg=0.429) USER MOD Set10.1: A 205 TYR OH : rot -5:sc= 0.866 USER MOD Set10.2: A 241 CYS SG : rot 180:sc= 0.0355 USER MOD Set11.1: A 201 ASN : amide:sc= 0.896 K(o=2.9,f=-9.4!) USER MOD Set11.2: A 203 LYS NZ :NH3+ -151:sc= 1.98 (180deg=-0.796!) USER MOD Set12.1: A 188 CYS SG : rot -76:sc= -0.5 USER MOD Set12.2: A 190 SER OG : rot -94:sc= 1.35 USER MOD Set12.3: A 204 HIS : no HD1:sc= 1.91 K(o=2.8,f=-6.6!) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 163:sc= 0.872 (180deg=0.416) USER MOD Single : A 157 THR OG1 : rot 176:sc= 0.869 USER MOD Single : A 161 SER OG : rot -38:sc= 1.02 USER MOD Single : A 167 ASN : amide:sc= 0.117 K(o=0.12,f=-3.4!) USER MOD Single : A 170 ASN : amide:sc= 0.0318 K(o=0.032,f=-0.71) USER MOD Single : A 174 THR OG1 : rot 84:sc= -0.822! USER MOD Single : A 180 SER OG : rot 50:sc= 0.582 USER MOD Single : A 182 THR OG1 : rot 125:sc= 0.151 USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 SER OG : rot 112:sc= -0.126 USER MOD Single : A 209 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 216 TYR OH : rot -10:sc= 2.09 USER MOD Single : A 218 THR OG1 : rot -119:sc= 0.0697 USER MOD Single : A 219 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD Single : A 222 GLN :FLIP amide:sc= -1.97! C(o=-6.1!,f=-2!) USER MOD Single : A 232 TYR OH : rot -19:sc= 0.0734 USER MOD Single : A 233 TYR OH : rot -37:sc= 1.74 USER MOD Single : A 234 SER OG : rot 79:sc= 0.926 USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0.251 (180deg=0.251) USER MOD Single : A 236 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 242 HIS :FLIP no HE2:sc= 1.02 F(o=-3.6!,f=1) USER MOD Single : A 248 CYS SG : rot 140:sc= -0.196 USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD Single : B 157 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : B 167 ASN : amide:sc= 0.291 K(o=0.29,f=-6.6!) USER MOD Single : B 170 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.5!) USER MOD Single : B 174 THR OG1 : rot 91:sc= 0.992 USER MOD Single : B 180 SER OG : rot 55:sc= 0.756 USER MOD Single : B 182 THR OG1 : rot 122:sc= 0.892 USER MOD Single : B 187 TYR OH : rot 180:sc= 0 USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD Single : B 209 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 216 TYR OH : rot 180:sc= 0 USER MOD Single : B 218 THR OG1 : rot -126:sc= 0.201 USER MOD Single : B 219 SER OG : rot 180:sc= 0.0206 USER MOD Single : B 221 THR OG1 : rot 122:sc= 0.33 USER MOD Single : B 222 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.026) USER MOD Single : B 224 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : B 227 GLN : amide:sc= -0.389 K(o=-0.39,f=-0.9) USER MOD Single : B 232 TYR OH : rot 180:sc= 0 USER MOD Single : B 233 TYR OH : rot 166:sc= 1.81 USER MOD Single : B 234 SER OG : rot 72:sc= 1.02 USER MOD Single : B 236 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.092) USER MOD Single : B 242 HIS :FLIP no HE2:sc= 1.26 F(o=-4.4!,f=1.3) USER MOD Single : B 245 THR OG1 : rot -138:sc= 0.98 USER MOD Single : B 246 THR OG1 : rot 180:sc= 0 USER MOD Single : B 248 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 145 59.015 26.451 14.689 1.00 45.90 N ATOM 2 CA SER A 145 59.460 25.657 15.817 1.00 44.15 C ATOM 3 C SER A 145 58.142 25.461 16.487 1.00 40.81 C ATOM 4 O SER A 145 57.561 26.466 16.905 1.00 37.94 O ATOM 5 CB SER A 145 60.332 26.377 16.863 1.00 45.62 C ATOM 6 OG SER A 145 60.565 25.540 18.004 1.00 49.36 O ATOM 0 HA SER A 145 59.993 24.903 15.519 1.00 44.15 H new ATOM 0 HB2 SER A 145 61.180 26.629 16.464 1.00 45.62 H new ATOM 0 HB3 SER A 145 59.896 27.197 17.143 1.00 45.62 H new ATOM 0 HG SER A 145 61.042 25.950 18.560 1.00 49.36 H new ATOM 8 N ILE A 146 57.731 24.201 16.583 1.00 35.31 N ATOM 9 CA ILE A 146 56.467 23.951 17.226 1.00 31.02 C ATOM 10 C ILE A 146 56.454 24.310 18.731 1.00 25.91 C ATOM 11 O ILE A 146 55.364 24.470 19.287 1.00 25.24 O ATOM 12 CB ILE A 146 56.136 22.478 16.947 1.00 32.19 C ATOM 13 CG1 ILE A 146 54.679 22.381 17.195 1.00 33.02 C ATOM 14 CG2 ILE A 146 56.888 21.469 17.821 1.00 29.11 C ATOM 15 CD1 ILE A 146 54.182 21.152 16.533 1.00 36.53 C ATOM 0 H ILE A 146 58.153 23.510 16.294 1.00 35.31 H new ATOM 0 HA ILE A 146 55.780 24.533 16.864 1.00 31.02 H new ATOM 0 HB ILE A 146 56.408 22.247 16.045 1.00 32.19 H new ATOM 0 HG12 ILE A 146 54.499 22.350 18.148 1.00 33.02 H new ATOM 0 HG13 ILE A 146 54.223 23.162 16.846 1.00 33.02 H new ATOM 0 HG21 ILE A 146 56.620 20.569 17.579 1.00 29.11 H new ATOM 0 HG22 ILE A 146 57.843 21.570 17.683 1.00 29.11 H new ATOM 0 HG23 ILE A 146 56.678 21.629 18.754 1.00 29.11 H new ATOM 0 HD11 ILE A 146 53.227 21.067 16.682 1.00 36.53 H new ATOM 0 HD12 ILE A 146 54.356 21.204 15.580 1.00 36.53 H new ATOM 0 HD13 ILE A 146 54.636 20.379 16.903 1.00 36.53 H new ATOM 17 N GLN A 147 57.600 24.515 19.410 1.00 19.85 N ATOM 18 CA GLN A 147 57.554 24.794 20.829 1.00 15.10 C ATOM 19 C GLN A 147 56.881 26.092 21.163 1.00 15.79 C ATOM 20 O GLN A 147 56.288 26.229 22.234 1.00 13.64 O ATOM 21 CB GLN A 147 58.899 24.880 21.418 1.00 14.86 C ATOM 22 CG GLN A 147 59.779 23.654 21.371 1.00 14.89 C ATOM 23 CD GLN A 147 59.329 22.430 22.147 1.00 18.10 C ATOM 24 OE1 GLN A 147 58.740 22.416 23.212 1.00 23.32 O ATOM 25 NE2 GLN A 147 59.651 21.264 21.650 1.00 22.20 N ATOM 0 H GLN A 147 58.387 24.495 19.065 1.00 19.85 H new ATOM 0 HA GLN A 147 57.048 24.051 21.193 1.00 15.10 H new ATOM 0 HB2 GLN A 147 59.372 25.601 20.973 1.00 14.86 H new ATOM 0 HB3 GLN A 147 58.799 25.137 22.348 1.00 14.86 H new ATOM 0 HG2 GLN A 147 59.882 23.396 20.442 1.00 14.89 H new ATOM 0 HG3 GLN A 147 60.658 23.906 21.695 1.00 14.89 H new ATOM 0 HE21 GLN A 147 60.068 21.217 20.900 1.00 22.20 H new ATOM 0 HE22 GLN A 147 59.445 20.544 22.074 1.00 22.20 H new ATOM 29 N ALA A 148 56.978 27.034 20.214 1.00 15.55 N ATOM 30 CA ALA A 148 56.408 28.349 20.323 1.00 14.18 C ATOM 31 C ALA A 148 55.035 28.447 19.711 1.00 16.44 C ATOM 32 O ALA A 148 54.544 29.564 19.561 1.00 19.79 O ATOM 33 CB ALA A 148 57.258 29.390 19.614 1.00 16.08 C ATOM 0 H ALA A 148 57.394 26.905 19.472 1.00 15.55 H new ATOM 0 HA ALA A 148 56.363 28.515 21.278 1.00 14.18 H new ATOM 0 HB1 ALA A 148 56.845 30.263 19.707 1.00 16.08 H new ATOM 0 HB2 ALA A 148 58.144 29.408 20.008 1.00 16.08 H new ATOM 0 HB3 ALA A 148 57.328 29.165 18.673 1.00 16.08 H new ATOM 35 N GLU A 149 54.368 27.382 19.261 1.00 19.86 N ATOM 36 CA GLU A 149 53.025 27.515 18.705 1.00 19.51 C ATOM 37 C GLU A 149 52.020 27.715 19.796 1.00 21.19 C ATOM 38 O GLU A 149 52.124 27.074 20.829 1.00 24.45 O ATOM 39 CB GLU A 149 52.581 26.305 17.975 1.00 17.49 C ATOM 40 CG GLU A 149 53.376 26.087 16.711 1.00 20.44 C ATOM 41 CD GLU A 149 53.111 27.044 15.545 1.00 27.80 C ATOM 42 OE1 GLU A 149 52.200 27.896 15.565 1.00 32.41 O ATOM 43 OE2 GLU A 149 53.838 26.899 14.571 1.00 29.93 O ATOM 0 H GLU A 149 54.676 26.579 19.270 1.00 19.86 H new ATOM 0 HA GLU A 149 53.075 28.273 18.101 1.00 19.51 H new ATOM 0 HB2 GLU A 149 52.670 25.529 18.551 1.00 17.49 H new ATOM 0 HB3 GLU A 149 51.640 26.388 17.755 1.00 17.49 H new ATOM 0 HG2 GLU A 149 54.318 26.140 16.935 1.00 20.44 H new ATOM 0 HG3 GLU A 149 53.208 25.183 16.402 1.00 20.44 H new ATOM 45 N GLU A 150 51.020 28.523 19.519 1.00 22.82 N ATOM 46 CA GLU A 150 49.889 28.879 20.385 1.00 23.63 C ATOM 47 C GLU A 150 49.060 27.697 20.864 1.00 21.71 C ATOM 48 O GLU A 150 48.515 27.606 21.964 1.00 21.44 O ATOM 49 CB GLU A 150 49.044 29.887 19.552 1.00 30.72 C ATOM 50 CG GLU A 150 47.751 30.625 20.029 1.00 47.36 C ATOM 51 CD GLU A 150 47.792 31.578 21.254 1.00 58.07 C ATOM 52 OE1 GLU A 150 48.896 31.935 21.731 1.00 65.18 O ATOM 53 OE2 GLU A 150 46.701 31.967 21.733 1.00 58.58 O ATOM 0 H GLU A 150 50.970 28.917 18.756 1.00 22.82 H new ATOM 0 HA GLU A 150 50.214 29.260 21.215 1.00 23.63 H new ATOM 0 HB2 GLU A 150 49.661 30.587 19.286 1.00 30.72 H new ATOM 0 HB3 GLU A 150 48.790 29.411 18.746 1.00 30.72 H new ATOM 0 HG2 GLU A 150 47.422 31.141 19.276 1.00 47.36 H new ATOM 0 HG3 GLU A 150 47.087 29.944 20.218 1.00 47.36 H new ATOM 55 N TRP A 151 48.864 26.807 19.885 1.00 19.14 N ATOM 56 CA TRP A 151 48.058 25.649 20.115 1.00 16.25 C ATOM 57 C TRP A 151 48.898 24.520 20.642 1.00 15.24 C ATOM 58 O TRP A 151 48.274 23.542 21.027 1.00 17.93 O ATOM 59 CB TRP A 151 47.372 25.220 18.830 1.00 16.81 C ATOM 60 CG TRP A 151 48.237 25.144 17.565 1.00 18.29 C ATOM 61 CD1 TRP A 151 48.116 26.154 16.640 1.00 18.99 C ATOM 62 CD2 TRP A 151 49.179 24.188 17.173 1.00 19.36 C ATOM 63 NE1 TRP A 151 48.980 25.862 15.686 1.00 19.97 N ATOM 64 CE2 TRP A 151 49.622 24.726 15.952 1.00 18.79 C ATOM 65 CE3 TRP A 151 49.739 22.988 17.632 1.00 22.06 C ATOM 66 CZ2 TRP A 151 50.614 24.092 15.205 1.00 21.00 C ATOM 67 CZ3 TRP A 151 50.729 22.346 16.901 1.00 20.46 C ATOM 68 CH2 TRP A 151 51.162 22.897 15.679 1.00 24.51 C ATOM 0 H TRP A 151 49.194 26.870 19.093 1.00 19.14 H new ATOM 0 HA TRP A 151 47.383 25.874 20.775 1.00 16.25 H new ATOM 0 HB2 TRP A 151 46.977 24.346 18.977 1.00 16.81 H new ATOM 0 HB3 TRP A 151 46.642 25.836 18.659 1.00 16.81 H new ATOM 0 HD1 TRP A 151 47.546 26.888 16.678 1.00 18.99 H new ATOM 0 HE1 TRP A 151 49.111 26.342 14.985 1.00 19.97 H new ATOM 0 HE3 TRP A 151 49.445 22.619 18.433 1.00 22.06 H new ATOM 0 HZ2 TRP A 151 50.907 24.459 14.402 1.00 21.00 H new ATOM 0 HZ3 TRP A 151 51.105 21.556 17.216 1.00 20.46 H new ATOM 0 HH2 TRP A 151 51.818 22.462 15.184 1.00 24.51 H new ATOM 71 N TYR A 152 50.222 24.550 20.708 1.00 10.93 N ATOM 72 CA TYR A 152 50.967 23.393 21.128 1.00 11.55 C ATOM 73 C TYR A 152 51.249 23.464 22.611 1.00 14.33 C ATOM 74 O TYR A 152 51.896 24.437 22.986 1.00 15.01 O ATOM 75 CB TYR A 152 52.329 23.268 20.355 1.00 9.96 C ATOM 76 CG TYR A 152 53.130 21.979 20.661 1.00 10.37 C ATOM 77 CD1 TYR A 152 52.621 20.718 20.319 1.00 16.26 C ATOM 78 CD2 TYR A 152 54.367 22.023 21.296 1.00 7.58 C ATOM 79 CE1 TYR A 152 53.306 19.529 20.585 1.00 7.86 C ATOM 80 CE2 TYR A 152 55.055 20.831 21.573 1.00 7.07 C ATOM 81 CZ TYR A 152 54.513 19.615 21.211 1.00 5.99 C ATOM 82 OH TYR A 152 55.229 18.494 21.467 1.00 11.44 O ATOM 0 H TYR A 152 50.702 25.236 20.512 1.00 10.93 H new ATOM 0 HA TYR A 152 50.426 22.613 20.929 1.00 11.55 H new ATOM 0 HB2 TYR A 152 52.151 23.305 19.402 1.00 9.96 H new ATOM 0 HB3 TYR A 152 52.881 24.036 20.570 1.00 9.96 H new ATOM 0 HD1 TYR A 152 51.793 20.671 19.898 1.00 16.26 H new ATOM 0 HD2 TYR A 152 54.738 22.841 21.537 1.00 7.58 H new ATOM 0 HE1 TYR A 152 52.949 18.705 20.342 1.00 7.86 H new ATOM 0 HE2 TYR A 152 55.879 20.861 22.002 1.00 7.07 H new ATOM 0 HH TYR A 152 55.946 18.701 21.853 1.00 11.44 H new ATOM 85 N PHE A 153 50.902 22.426 23.410 1.00 11.54 N ATOM 86 CA PHE A 153 51.178 22.429 24.832 1.00 11.44 C ATOM 87 C PHE A 153 52.202 21.413 25.357 1.00 12.75 C ATOM 88 O PHE A 153 52.193 20.978 26.511 1.00 16.27 O ATOM 89 CB PHE A 153 49.842 22.281 25.565 1.00 12.60 C ATOM 90 CG PHE A 153 48.985 23.523 25.643 1.00 9.24 C ATOM 91 CD1 PHE A 153 48.471 24.083 24.478 1.00 16.55 C ATOM 92 CD2 PHE A 153 48.703 24.131 26.856 1.00 13.78 C ATOM 93 CE1 PHE A 153 47.671 25.230 24.516 1.00 13.14 C ATOM 94 CE2 PHE A 153 47.904 25.283 26.906 1.00 11.09 C ATOM 95 CZ PHE A 153 47.389 25.830 25.736 1.00 14.11 C ATOM 0 H PHE A 153 50.505 21.717 23.128 1.00 11.54 H new ATOM 0 HA PHE A 153 51.618 23.275 25.011 1.00 11.44 H new ATOM 0 HB2 PHE A 153 49.329 21.583 25.127 1.00 12.60 H new ATOM 0 HB3 PHE A 153 50.022 21.977 26.468 1.00 12.60 H new ATOM 0 HD1 PHE A 153 48.663 23.687 23.658 1.00 16.55 H new ATOM 0 HD2 PHE A 153 49.046 23.773 27.643 1.00 13.78 H new ATOM 0 HE1 PHE A 153 47.330 25.589 23.729 1.00 13.14 H new ATOM 0 HE2 PHE A 153 47.718 25.682 27.725 1.00 11.09 H new ATOM 0 HZ PHE A 153 46.859 26.593 25.770 1.00 14.11 H new ATOM 97 N GLY A 154 53.152 20.951 24.559 1.00 14.82 N ATOM 98 CA GLY A 154 54.253 20.119 25.038 1.00 13.93 C ATOM 99 C GLY A 154 53.921 18.863 25.829 1.00 17.42 C ATOM 100 O GLY A 154 53.082 18.061 25.411 1.00 20.98 O ATOM 0 H GLY A 154 53.179 21.111 23.715 1.00 14.82 H new ATOM 0 HA2 GLY A 154 54.778 19.852 24.267 1.00 13.93 H new ATOM 0 HA3 GLY A 154 54.824 20.675 25.592 1.00 13.93 H new ATOM 102 N LYS A 155 54.522 18.688 26.992 1.00 18.09 N ATOM 103 CA LYS A 155 54.372 17.490 27.772 1.00 18.20 C ATOM 104 C LYS A 155 53.343 17.638 28.821 1.00 16.63 C ATOM 105 O LYS A 155 53.513 17.030 29.847 1.00 20.21 O ATOM 106 CB LYS A 155 55.700 17.168 28.392 1.00 20.02 C ATOM 107 CG LYS A 155 56.685 16.724 27.344 1.00 25.40 C ATOM 108 CD LYS A 155 58.104 16.840 27.882 1.00 32.89 C ATOM 109 CE LYS A 155 59.126 16.165 26.972 1.00 39.10 C ATOM 110 NZ LYS A 155 58.995 16.641 25.608 1.00 47.83 N ATOM 0 H LYS A 155 55.036 19.276 27.352 1.00 18.09 H new ATOM 0 HA LYS A 155 54.079 16.771 27.191 1.00 18.20 H new ATOM 0 HB2 LYS A 155 56.043 17.948 28.855 1.00 20.02 H new ATOM 0 HB3 LYS A 155 55.591 16.469 29.056 1.00 20.02 H new ATOM 0 HG2 LYS A 155 56.503 15.807 27.086 1.00 25.40 H new ATOM 0 HG3 LYS A 155 56.588 17.268 26.547 1.00 25.40 H new ATOM 0 HD2 LYS A 155 58.334 17.777 27.983 1.00 32.89 H new ATOM 0 HD3 LYS A 155 58.147 16.440 28.765 1.00 32.89 H new ATOM 0 HE2 LYS A 155 60.022 16.344 27.297 1.00 39.10 H new ATOM 0 HE3 LYS A 155 59.002 15.203 26.997 1.00 39.10 H new ATOM 0 HZ1 LYS A 155 59.731 16.438 25.151 1.00 47.83 H new ATOM 0 HZ2 LYS A 155 58.292 16.254 25.224 1.00 47.83 H new ATOM 0 HZ3 LYS A 155 58.882 17.524 25.611 1.00 47.83 H new ATOM 115 N ILE A 156 52.309 18.447 28.743 1.00 17.60 N ATOM 116 CA ILE A 156 51.286 18.462 29.772 1.00 16.04 C ATOM 117 C ILE A 156 50.584 17.111 29.815 1.00 17.66 C ATOM 118 O ILE A 156 50.518 16.406 28.787 1.00 21.01 O ATOM 119 CB ILE A 156 50.193 19.511 29.543 1.00 17.10 C ATOM 120 CG1 ILE A 156 49.489 19.391 28.226 1.00 11.12 C ATOM 121 CG2 ILE A 156 50.898 20.872 29.724 1.00 23.60 C ATOM 122 CD1 ILE A 156 48.157 20.095 28.440 1.00 13.49 C ATOM 0 H ILE A 156 52.177 19.001 28.099 1.00 17.60 H new ATOM 0 HA ILE A 156 51.752 18.673 30.596 1.00 16.04 H new ATOM 0 HB ILE A 156 49.469 19.390 30.177 1.00 17.10 H new ATOM 0 HG12 ILE A 156 49.999 19.808 27.514 1.00 11.12 H new ATOM 0 HG13 ILE A 156 49.362 18.462 27.977 1.00 11.12 H new ATOM 0 HG21 ILE A 156 50.258 21.588 29.591 1.00 23.60 H new ATOM 0 HG22 ILE A 156 51.266 20.929 30.620 1.00 23.60 H new ATOM 0 HG23 ILE A 156 51.614 20.955 29.075 1.00 23.60 H new ATOM 0 HD11 ILE A 156 47.637 20.060 27.622 1.00 13.49 H new ATOM 0 HD12 ILE A 156 47.668 19.654 29.153 1.00 13.49 H new ATOM 0 HD13 ILE A 156 48.315 21.021 28.682 1.00 13.49 H new ATOM 124 N THR A 157 50.064 16.730 30.984 1.00 12.67 N ATOM 125 CA THR A 157 49.488 15.428 31.152 1.00 11.67 C ATOM 126 C THR A 157 48.111 15.440 30.606 1.00 9.67 C ATOM 127 O THR A 157 47.606 16.516 30.322 1.00 11.35 O ATOM 128 CB THR A 157 49.459 15.026 32.635 1.00 10.36 C ATOM 129 OG1 THR A 157 48.531 15.903 33.253 1.00 13.66 O ATOM 130 CG2 THR A 157 50.847 15.055 33.280 1.00 5.19 C ATOM 0 H THR A 157 50.042 17.225 31.687 1.00 12.67 H new ATOM 0 HA THR A 157 50.030 14.779 30.677 1.00 11.67 H new ATOM 0 HB THR A 157 49.180 14.103 32.746 1.00 10.36 H new ATOM 0 HG1 THR A 157 48.434 15.686 34.059 1.00 13.66 H new ATOM 0 HG21 THR A 157 50.777 14.795 34.212 1.00 5.19 H new ATOM 0 HG22 THR A 157 51.433 14.437 32.816 1.00 5.19 H new ATOM 0 HG23 THR A 157 51.212 15.952 33.222 1.00 5.19 H new ATOM 133 N ARG A 158 47.565 14.238 30.437 1.00 9.15 N ATOM 134 CA ARG A 158 46.247 14.004 29.965 1.00 10.23 C ATOM 135 C ARG A 158 45.320 14.759 30.870 1.00 12.11 C ATOM 136 O ARG A 158 44.485 15.520 30.370 1.00 14.59 O ATOM 137 CB ARG A 158 45.961 12.502 29.992 1.00 13.27 C ATOM 138 CG ARG A 158 44.512 12.288 29.697 1.00 14.41 C ATOM 139 CD ARG A 158 43.991 10.909 29.951 1.00 16.14 C ATOM 140 NE ARG A 158 44.002 10.319 28.650 1.00 20.71 N ATOM 141 CZ ARG A 158 42.893 9.997 27.999 1.00 15.74 C ATOM 142 NH1 ARG A 158 41.652 10.103 28.485 1.00 16.27 N ATOM 143 NH2 ARG A 158 43.107 9.583 26.771 1.00 18.53 N ATOM 0 H ARG A 158 47.992 13.512 30.609 1.00 9.15 H new ATOM 0 HA ARG A 158 46.129 14.305 29.050 1.00 10.23 H new ATOM 0 HB2 ARG A 158 46.509 12.043 29.337 1.00 13.27 H new ATOM 0 HB3 ARG A 158 46.186 12.132 30.860 1.00 13.27 H new ATOM 0 HG2 ARG A 158 43.995 12.913 30.229 1.00 14.41 H new ATOM 0 HG3 ARG A 158 44.353 12.509 28.766 1.00 14.41 H new ATOM 0 HD2 ARG A 158 44.554 10.421 30.572 1.00 16.14 H new ATOM 0 HD3 ARG A 158 43.098 10.926 30.330 1.00 16.14 H new ATOM 0 HE ARG A 158 44.760 10.166 28.273 1.00 20.71 H new ATOM 0 HH11 ARG A 158 41.526 10.401 29.282 1.00 16.27 H new ATOM 0 HH12 ARG A 158 40.979 9.873 28.001 1.00 16.27 H new ATOM 0 HH21 ARG A 158 43.910 9.543 26.465 1.00 18.53 H new ATOM 0 HH22 ARG A 158 42.445 9.352 26.273 1.00 18.53 H new ATOM 150 N ARG A 159 45.503 14.598 32.182 1.00 14.31 N ATOM 151 CA ARG A 159 44.693 15.231 33.187 1.00 16.81 C ATOM 152 C ARG A 159 44.740 16.764 33.132 1.00 18.86 C ATOM 153 O ARG A 159 43.731 17.450 33.231 1.00 19.96 O ATOM 154 CB ARG A 159 45.168 14.736 34.528 1.00 17.87 C ATOM 155 CG ARG A 159 44.378 15.366 35.679 1.00 21.73 C ATOM 156 CD ARG A 159 45.098 15.048 36.960 1.00 22.57 C ATOM 157 NE ARG A 159 44.647 15.881 38.045 1.00 28.00 N ATOM 158 CZ ARG A 159 45.337 15.994 39.191 1.00 30.32 C ATOM 159 NH1 ARG A 159 46.499 15.316 39.394 1.00 27.91 N ATOM 160 NH2 ARG A 159 44.790 16.813 40.105 1.00 30.28 N ATOM 0 H ARG A 159 46.124 14.100 32.508 1.00 14.31 H new ATOM 0 HA ARG A 159 43.765 14.996 33.028 1.00 16.81 H new ATOM 0 HB2 ARG A 159 45.081 13.771 34.566 1.00 17.87 H new ATOM 0 HB3 ARG A 159 46.111 14.940 34.633 1.00 17.87 H new ATOM 0 HG2 ARG A 159 44.308 16.326 35.558 1.00 21.73 H new ATOM 0 HG3 ARG A 159 43.474 15.016 35.702 1.00 21.73 H new ATOM 0 HD2 ARG A 159 44.958 14.116 37.188 1.00 22.57 H new ATOM 0 HD3 ARG A 159 46.052 15.169 36.834 1.00 22.57 H new ATOM 0 HE ARG A 159 43.913 16.320 37.956 1.00 28.00 H new ATOM 0 HH11 ARG A 159 46.808 14.800 38.780 1.00 27.91 H new ATOM 0 HH12 ARG A 159 46.924 15.404 40.136 1.00 27.91 H new ATOM 0 HH21 ARG A 159 44.051 17.218 39.932 1.00 30.28 H new ATOM 0 HH22 ARG A 159 45.179 16.932 40.863 1.00 30.28 H new ATOM 167 N GLU A 160 45.895 17.359 32.979 1.00 22.91 N ATOM 168 CA GLU A 160 46.056 18.781 32.865 1.00 25.80 C ATOM 169 C GLU A 160 45.384 19.349 31.600 1.00 25.86 C ATOM 170 O GLU A 160 44.719 20.392 31.681 1.00 24.95 O ATOM 171 CB GLU A 160 47.572 18.936 32.967 1.00 30.90 C ATOM 172 CG GLU A 160 47.959 20.384 33.096 1.00 46.32 C ATOM 173 CD GLU A 160 47.389 21.235 34.234 1.00 56.81 C ATOM 174 OE1 GLU A 160 46.812 20.779 35.233 1.00 62.86 O ATOM 175 OE2 GLU A 160 47.573 22.454 34.151 1.00 61.45 O ATOM 0 H GLU A 160 46.638 16.928 32.937 1.00 22.91 H new ATOM 0 HA GLU A 160 45.608 19.306 33.546 1.00 25.80 H new ATOM 0 HB2 GLU A 160 47.900 18.441 33.734 1.00 30.90 H new ATOM 0 HB3 GLU A 160 47.993 18.554 32.181 1.00 30.90 H new ATOM 0 HG2 GLU A 160 48.926 20.418 33.168 1.00 46.32 H new ATOM 0 HG3 GLU A 160 47.721 20.821 32.263 1.00 46.32 H new ATOM 177 N SER A 161 45.418 18.674 30.421 1.00 22.43 N ATOM 178 CA SER A 161 44.754 19.170 29.232 1.00 19.55 C ATOM 179 C SER A 161 43.259 19.155 29.486 1.00 16.69 C ATOM 180 O SER A 161 42.527 20.042 29.068 1.00 18.74 O ATOM 181 CB SER A 161 45.097 18.296 28.014 1.00 16.91 C ATOM 182 OG SER A 161 44.580 16.966 28.075 1.00 20.37 O ATOM 0 H SER A 161 45.828 17.926 30.310 1.00 22.43 H new ATOM 0 HA SER A 161 45.053 20.073 29.040 1.00 19.55 H new ATOM 0 HB2 SER A 161 44.756 18.727 27.215 1.00 16.91 H new ATOM 0 HB3 SER A 161 46.062 18.252 27.923 1.00 16.91 H new ATOM 0 HG SER A 161 44.633 16.681 28.863 1.00 20.37 H new ATOM 185 N GLU A 162 42.735 18.185 30.197 1.00 16.29 N ATOM 186 CA GLU A 162 41.313 18.192 30.491 1.00 18.95 C ATOM 187 C GLU A 162 40.965 19.329 31.447 1.00 21.20 C ATOM 188 O GLU A 162 39.984 20.071 31.254 1.00 23.53 O ATOM 189 CB GLU A 162 40.924 16.901 31.105 1.00 16.40 C ATOM 190 CG GLU A 162 41.075 15.775 30.090 1.00 19.32 C ATOM 191 CD GLU A 162 40.327 14.491 30.452 1.00 22.46 C ATOM 192 OE1 GLU A 162 39.642 14.484 31.461 1.00 24.93 O ATOM 193 OE2 GLU A 162 40.406 13.494 29.717 1.00 21.73 O ATOM 0 H GLU A 162 43.173 17.518 30.518 1.00 16.29 H new ATOM 0 HA GLU A 162 40.829 18.322 29.660 1.00 18.95 H new ATOM 0 HB2 GLU A 162 41.478 16.723 31.881 1.00 16.40 H new ATOM 0 HB3 GLU A 162 40.006 16.946 31.416 1.00 16.40 H new ATOM 0 HG2 GLU A 162 40.759 16.088 29.228 1.00 19.32 H new ATOM 0 HG3 GLU A 162 42.018 15.569 29.990 1.00 19.32 H new ATOM 195 N ARG A 163 41.835 19.555 32.440 1.00 23.95 N ATOM 196 CA ARG A 163 41.684 20.633 33.391 1.00 23.20 C ATOM 197 C ARG A 163 41.693 21.878 32.569 1.00 23.55 C ATOM 198 O ARG A 163 40.908 22.718 32.902 1.00 25.55 O ATOM 199 CB ARG A 163 42.826 20.757 34.341 1.00 25.35 C ATOM 200 CG ARG A 163 42.272 21.547 35.491 1.00 36.67 C ATOM 201 CD ARG A 163 43.184 21.595 36.714 1.00 44.97 C ATOM 202 NE ARG A 163 44.478 22.175 36.394 1.00 58.02 N ATOM 203 CZ ARG A 163 44.717 23.468 36.043 1.00 61.54 C ATOM 204 NH1 ARG A 163 43.739 24.399 35.927 1.00 64.05 N ATOM 205 NH2 ARG A 163 45.987 23.795 35.748 1.00 62.86 N ATOM 0 H ARG A 163 42.535 19.073 32.572 1.00 23.95 H new ATOM 0 HA ARG A 163 40.882 20.476 33.914 1.00 23.20 H new ATOM 0 HB2 ARG A 163 43.142 19.886 34.630 1.00 25.35 H new ATOM 0 HB3 ARG A 163 43.579 21.210 33.931 1.00 25.35 H new ATOM 0 HG2 ARG A 163 42.099 22.454 35.194 1.00 36.67 H new ATOM 0 HG3 ARG A 163 41.419 21.166 35.751 1.00 36.67 H new ATOM 0 HD2 ARG A 163 42.760 22.115 37.415 1.00 44.97 H new ATOM 0 HD3 ARG A 163 43.308 20.698 37.062 1.00 44.97 H new ATOM 0 HE ARG A 163 45.158 21.650 36.430 1.00 58.02 H new ATOM 0 HH11 ARG A 163 42.920 24.184 36.078 1.00 64.05 H new ATOM 0 HH12 ARG A 163 43.937 25.205 35.702 1.00 64.05 H new ATOM 0 HH21 ARG A 163 46.605 23.198 35.786 1.00 62.86 H new ATOM 0 HH22 ARG A 163 46.182 24.601 35.521 1.00 62.86 H new ATOM 212 N LEU A 164 42.490 22.078 31.528 1.00 23.49 N ATOM 213 CA LEU A 164 42.467 23.314 30.766 1.00 22.60 C ATOM 214 C LEU A 164 41.251 23.503 29.858 1.00 23.42 C ATOM 215 O LEU A 164 40.737 24.614 29.652 1.00 20.57 O ATOM 216 CB LEU A 164 43.765 23.387 29.947 1.00 21.06 C ATOM 217 CG LEU A 164 45.059 23.579 30.736 1.00 24.27 C ATOM 218 CD1 LEU A 164 46.270 23.308 29.883 1.00 24.10 C ATOM 219 CD2 LEU A 164 45.121 24.984 31.225 1.00 21.60 C ATOM 0 H LEU A 164 43.059 21.499 31.244 1.00 23.49 H new ATOM 0 HA LEU A 164 42.397 24.038 31.407 1.00 22.60 H new ATOM 0 HB2 LEU A 164 43.844 22.571 29.429 1.00 21.06 H new ATOM 0 HB3 LEU A 164 43.684 24.118 29.314 1.00 21.06 H new ATOM 0 HG LEU A 164 45.060 22.953 31.477 1.00 24.27 H new ATOM 0 HD11 LEU A 164 47.073 23.438 30.411 1.00 24.10 H new ATOM 0 HD12 LEU A 164 46.240 22.394 29.560 1.00 24.10 H new ATOM 0 HD13 LEU A 164 46.277 23.917 29.128 1.00 24.10 H new ATOM 0 HD21 LEU A 164 45.940 25.116 31.728 1.00 21.60 H new ATOM 0 HD22 LEU A 164 45.105 25.591 30.469 1.00 21.60 H new ATOM 0 HD23 LEU A 164 44.358 25.161 31.798 1.00 21.60 H new ATOM 221 N LEU A 165 40.729 22.403 29.310 1.00 22.11 N ATOM 222 CA LEU A 165 39.622 22.501 28.365 1.00 21.45 C ATOM 223 C LEU A 165 38.203 22.522 28.908 1.00 23.30 C ATOM 224 O LEU A 165 37.310 23.111 28.272 1.00 22.39 O ATOM 225 CB LEU A 165 39.725 21.359 27.367 1.00 18.26 C ATOM 226 CG LEU A 165 40.973 21.337 26.551 1.00 14.35 C ATOM 227 CD1 LEU A 165 41.208 19.986 26.023 1.00 9.21 C ATOM 228 CD2 LEU A 165 40.827 22.328 25.427 1.00 18.37 C ATOM 0 H LEU A 165 40.999 21.603 29.471 1.00 22.11 H new ATOM 0 HA LEU A 165 39.740 23.384 27.982 1.00 21.45 H new ATOM 0 HB2 LEU A 165 39.657 20.520 27.849 1.00 18.26 H new ATOM 0 HB3 LEU A 165 38.964 21.404 26.767 1.00 18.26 H new ATOM 0 HG LEU A 165 41.735 21.579 27.101 1.00 14.35 H new ATOM 0 HD11 LEU A 165 42.021 19.982 25.494 1.00 9.21 H new ATOM 0 HD12 LEU A 165 41.299 19.362 26.760 1.00 9.21 H new ATOM 0 HD13 LEU A 165 40.459 19.721 25.466 1.00 9.21 H new ATOM 0 HD21 LEU A 165 41.632 22.325 24.886 1.00 18.37 H new ATOM 0 HD22 LEU A 165 40.067 22.083 24.876 1.00 18.37 H new ATOM 0 HD23 LEU A 165 40.687 23.215 25.794 1.00 18.37 H new ATOM 230 N LEU A 166 37.935 21.861 30.050 1.00 26.06 N ATOM 231 CA LEU A 166 36.597 21.746 30.613 1.00 28.00 C ATOM 232 C LEU A 166 36.388 23.000 31.390 1.00 28.22 C ATOM 233 O LEU A 166 36.660 23.078 32.587 1.00 30.22 O ATOM 234 CB LEU A 166 36.484 20.562 31.560 1.00 29.45 C ATOM 235 CG LEU A 166 36.536 19.210 30.892 1.00 32.96 C ATOM 236 CD1 LEU A 166 36.681 18.121 31.938 1.00 35.42 C ATOM 237 CD2 LEU A 166 35.304 19.051 30.036 1.00 30.55 C ATOM 0 H LEU A 166 38.540 21.466 30.517 1.00 26.06 H new ATOM 0 HA LEU A 166 35.943 21.614 29.909 1.00 28.00 H new ATOM 0 HB2 LEU A 166 37.201 20.615 32.211 1.00 29.45 H new ATOM 0 HB3 LEU A 166 35.650 20.635 32.050 1.00 29.45 H new ATOM 0 HG LEU A 166 37.311 19.135 30.313 1.00 32.96 H new ATOM 0 HD11 LEU A 166 36.714 17.255 31.502 1.00 35.42 H new ATOM 0 HD12 LEU A 166 37.499 18.261 32.440 1.00 35.42 H new ATOM 0 HD13 LEU A 166 35.923 18.150 32.542 1.00 35.42 H new ATOM 0 HD21 LEU A 166 35.323 18.185 29.599 1.00 30.55 H new ATOM 0 HD22 LEU A 166 34.512 19.115 30.593 1.00 30.55 H new ATOM 0 HD23 LEU A 166 35.284 19.751 29.365 1.00 30.55 H new ATOM 239 N ASN A 167 35.902 24.005 30.703 1.00 29.70 N ATOM 240 CA ASN A 167 35.749 25.259 31.379 1.00 30.43 C ATOM 241 C ASN A 167 34.706 25.968 30.625 1.00 30.40 C ATOM 242 O ASN A 167 34.796 26.052 29.412 1.00 32.83 O ATOM 243 CB ASN A 167 37.019 26.040 31.307 1.00 33.80 C ATOM 244 CG ASN A 167 36.988 27.223 32.227 1.00 38.90 C ATOM 245 OD1 ASN A 167 36.332 28.229 31.952 1.00 44.08 O ATOM 246 ND2 ASN A 167 37.660 27.063 33.361 1.00 40.35 N ATOM 0 H ASN A 167 35.663 23.985 29.877 1.00 29.70 H new ATOM 0 HA ASN A 167 35.524 25.141 32.315 1.00 30.43 H new ATOM 0 HB2 ASN A 167 37.766 25.467 31.540 1.00 33.80 H new ATOM 0 HB3 ASN A 167 37.165 26.340 30.396 1.00 33.80 H new ATOM 0 HD21 ASN A 167 37.653 27.684 33.956 1.00 40.35 H new ATOM 0 HD22 ASN A 167 38.102 26.338 33.500 1.00 40.35 H new ATOM 250 N ALA A 168 33.727 26.436 31.336 1.00 30.60 N ATOM 251 CA ALA A 168 32.631 27.214 30.816 1.00 30.34 C ATOM 252 C ALA A 168 32.966 28.227 29.727 1.00 31.85 C ATOM 253 O ALA A 168 32.133 28.545 28.875 1.00 33.60 O ATOM 254 CB ALA A 168 32.028 27.956 31.960 1.00 30.75 C ATOM 0 H ALA A 168 33.672 26.306 32.184 1.00 30.60 H new ATOM 0 HA ALA A 168 32.039 26.574 30.391 1.00 30.34 H new ATOM 0 HB1 ALA A 168 31.284 28.492 31.643 1.00 30.75 H new ATOM 0 HB2 ALA A 168 31.711 27.324 32.624 1.00 30.75 H new ATOM 0 HB3 ALA A 168 32.696 28.535 32.358 1.00 30.75 H new ATOM 256 N GLU A 169 34.161 28.809 29.790 1.00 33.71 N ATOM 257 CA GLU A 169 34.644 29.810 28.851 1.00 36.01 C ATOM 258 C GLU A 169 34.952 29.286 27.446 1.00 37.69 C ATOM 259 O GLU A 169 34.890 30.034 26.457 1.00 39.76 O ATOM 260 CB GLU A 169 35.882 30.419 29.504 1.00 39.15 C ATOM 261 CG GLU A 169 36.662 31.338 28.561 1.00 49.67 C ATOM 262 CD GLU A 169 38.156 31.677 28.822 1.00 55.72 C ATOM 263 OE1 GLU A 169 38.860 31.055 29.666 1.00 55.37 O ATOM 264 OE2 GLU A 169 38.600 32.614 28.109 1.00 61.63 O ATOM 0 H GLU A 169 34.732 28.623 30.405 1.00 33.71 H new ATOM 0 HA GLU A 169 33.943 30.461 28.691 1.00 36.01 H new ATOM 0 HB2 GLU A 169 35.614 30.921 30.289 1.00 39.15 H new ATOM 0 HB3 GLU A 169 36.465 29.706 29.809 1.00 39.15 H new ATOM 0 HG2 GLU A 169 36.611 30.945 27.676 1.00 49.67 H new ATOM 0 HG3 GLU A 169 36.182 32.180 28.525 1.00 49.67 H new ATOM 266 N ASN A 170 35.193 27.975 27.356 1.00 36.53 N ATOM 267 CA ASN A 170 35.614 27.382 26.104 1.00 32.22 C ATOM 268 C ASN A 170 34.505 26.872 25.217 1.00 32.09 C ATOM 269 O ASN A 170 33.606 26.202 25.734 1.00 34.30 O ATOM 270 CB ASN A 170 36.599 26.217 26.325 1.00 28.44 C ATOM 271 CG ASN A 170 37.866 26.663 26.969 1.00 27.65 C ATOM 272 OD1 ASN A 170 38.364 27.757 26.770 1.00 29.33 O ATOM 273 ND2 ASN A 170 38.444 25.812 27.781 1.00 31.17 N ATOM 0 H ASN A 170 35.117 27.421 28.010 1.00 36.53 H new ATOM 0 HA ASN A 170 36.035 28.127 25.647 1.00 32.22 H new ATOM 0 HB2 ASN A 170 36.178 25.541 26.878 1.00 28.44 H new ATOM 0 HB3 ASN A 170 36.801 25.801 25.472 1.00 28.44 H new ATOM 0 HD21 ASN A 170 39.178 26.025 28.176 1.00 31.17 H new ATOM 0 HD22 ASN A 170 38.090 25.041 27.919 1.00 31.17 H new ATOM 277 N PRO A 171 34.466 27.245 23.919 1.00 30.38 N ATOM 278 CA PRO A 171 33.483 26.833 22.936 1.00 28.47 C ATOM 279 C PRO A 171 33.636 25.339 22.718 1.00 29.49 C ATOM 280 O PRO A 171 34.664 24.734 23.028 1.00 30.75 O ATOM 281 CB PRO A 171 33.835 27.580 21.678 1.00 27.29 C ATOM 282 CG PRO A 171 34.306 28.891 22.195 1.00 27.54 C ATOM 283 CD PRO A 171 35.210 28.354 23.332 1.00 29.63 C ATOM 0 HA PRO A 171 32.570 27.017 23.208 1.00 28.47 H new ATOM 0 HB2 PRO A 171 34.524 27.125 21.170 1.00 27.29 H new ATOM 0 HB3 PRO A 171 33.069 27.679 21.091 1.00 27.29 H new ATOM 0 HG2 PRO A 171 34.794 29.407 21.534 1.00 27.54 H new ATOM 0 HG3 PRO A 171 33.584 29.453 22.517 1.00 27.54 H new ATOM 0 HD2 PRO A 171 36.067 28.058 22.988 1.00 29.63 H new ATOM 0 HD3 PRO A 171 35.391 29.043 23.991 1.00 29.63 H new ATOM 284 N ARG A 172 32.648 24.716 22.098 1.00 28.58 N ATOM 285 CA ARG A 172 32.823 23.343 21.692 1.00 28.02 C ATOM 286 C ARG A 172 33.842 23.478 20.563 1.00 25.05 C ATOM 287 O ARG A 172 33.628 24.245 19.632 1.00 29.58 O ATOM 288 CB ARG A 172 31.574 22.684 21.099 1.00 31.36 C ATOM 289 CG ARG A 172 30.254 22.681 21.875 1.00 37.87 C ATOM 290 CD ARG A 172 29.122 21.908 21.102 1.00 43.51 C ATOM 291 NE ARG A 172 27.732 22.381 21.389 1.00 50.28 N ATOM 292 CZ ARG A 172 26.827 22.637 20.379 1.00 54.96 C ATOM 293 NH1 ARG A 172 27.210 22.468 19.065 1.00 61.54 N ATOM 294 NH2 ARG A 172 25.491 22.893 20.642 1.00 57.64 N ATOM 0 H ARG A 172 31.885 25.064 21.908 1.00 28.58 H new ATOM 0 HA ARG A 172 33.066 22.793 22.453 1.00 28.02 H new ATOM 0 HB2 ARG A 172 31.403 23.111 20.245 1.00 31.36 H new ATOM 0 HB3 ARG A 172 31.799 21.759 20.913 1.00 31.36 H new ATOM 0 HG2 ARG A 172 30.390 22.271 22.743 1.00 37.87 H new ATOM 0 HG3 ARG A 172 29.971 23.595 22.034 1.00 37.87 H new ATOM 0 HD2 ARG A 172 29.287 21.986 20.149 1.00 43.51 H new ATOM 0 HD3 ARG A 172 29.182 20.966 21.324 1.00 43.51 H new ATOM 0 HE ARG A 172 27.490 22.497 22.206 1.00 50.28 H new ATOM 0 HH11 ARG A 172 28.008 22.205 18.880 1.00 61.54 H new ATOM 0 HH12 ARG A 172 26.651 22.626 18.431 1.00 61.54 H new ATOM 0 HH21 ARG A 172 25.205 22.895 21.453 1.00 57.64 H new ATOM 0 HH22 ARG A 172 24.948 23.050 19.994 1.00 57.64 H new ATOM 301 N GLY A 173 34.894 22.694 20.540 1.00 21.53 N ATOM 302 CA GLY A 173 35.919 22.821 19.516 1.00 17.70 C ATOM 303 C GLY A 173 37.126 23.533 20.083 1.00 14.42 C ATOM 304 O GLY A 173 37.999 23.844 19.319 1.00 15.87 O ATOM 0 H GLY A 173 35.041 22.071 21.114 1.00 21.53 H new ATOM 0 HA2 GLY A 173 36.174 21.943 19.192 1.00 17.70 H new ATOM 0 HA3 GLY A 173 35.570 23.314 18.757 1.00 17.70 H new ATOM 306 N THR A 174 37.238 23.890 21.338 1.00 14.04 N ATOM 307 CA THR A 174 38.433 24.489 21.867 1.00 14.41 C ATOM 308 C THR A 174 39.413 23.331 21.814 1.00 14.96 C ATOM 309 O THR A 174 39.011 22.228 22.216 1.00 16.79 O ATOM 310 CB THR A 174 38.237 24.887 23.312 1.00 14.39 C ATOM 311 OG1 THR A 174 37.070 25.695 23.376 1.00 18.77 O ATOM 312 CG2 THR A 174 39.446 25.678 23.837 1.00 11.73 C ATOM 0 H THR A 174 36.611 23.790 21.918 1.00 14.04 H new ATOM 0 HA THR A 174 38.707 25.286 21.386 1.00 14.41 H new ATOM 0 HB THR A 174 38.145 24.094 23.863 1.00 14.39 H new ATOM 0 HG1 THR A 174 36.390 25.203 23.417 1.00 18.77 H new ATOM 0 HG21 THR A 174 39.296 25.921 24.764 1.00 11.73 H new ATOM 0 HG22 THR A 174 40.244 25.131 23.772 1.00 11.73 H new ATOM 0 HG23 THR A 174 39.562 26.482 23.307 1.00 11.73 H new ATOM 315 N PHE A 175 40.690 23.492 21.438 1.00 16.03 N ATOM 316 CA PHE A 175 41.611 22.362 21.360 1.00 14.95 C ATOM 317 C PHE A 175 43.068 22.693 21.682 1.00 14.00 C ATOM 318 O PHE A 175 43.494 23.866 21.718 1.00 14.73 O ATOM 319 CB PHE A 175 41.553 21.765 19.950 1.00 14.80 C ATOM 320 CG PHE A 175 42.203 22.698 18.967 1.00 16.87 C ATOM 321 CD1 PHE A 175 41.481 23.782 18.472 1.00 16.70 C ATOM 322 CD2 PHE A 175 43.538 22.489 18.594 1.00 15.43 C ATOM 323 CE1 PHE A 175 42.125 24.661 17.607 1.00 18.57 C ATOM 324 CE2 PHE A 175 44.175 23.362 17.738 1.00 12.94 C ATOM 325 CZ PHE A 175 43.463 24.446 17.251 1.00 17.85 C ATOM 0 H PHE A 175 41.037 24.250 21.225 1.00 16.03 H new ATOM 0 HA PHE A 175 41.316 21.738 22.041 1.00 14.95 H new ATOM 0 HB2 PHE A 175 42.002 20.905 19.936 1.00 14.80 H new ATOM 0 HB3 PHE A 175 40.630 21.607 19.696 1.00 14.80 H new ATOM 0 HD1 PHE A 175 40.593 23.914 18.713 1.00 16.70 H new ATOM 0 HD2 PHE A 175 43.999 21.753 18.928 1.00 15.43 H new ATOM 0 HE1 PHE A 175 41.666 25.394 17.264 1.00 18.57 H new ATOM 0 HE2 PHE A 175 45.062 23.226 17.493 1.00 12.94 H new ATOM 0 HZ PHE A 175 43.882 25.044 16.675 1.00 17.85 H new ATOM 327 N LEU A 176 43.851 21.623 21.806 1.00 9.97 N ATOM 328 CA LEU A 176 45.279 21.773 21.973 1.00 8.53 C ATOM 329 C LEU A 176 45.910 20.448 21.478 1.00 10.26 C ATOM 330 O LEU A 176 45.219 19.418 21.312 1.00 12.85 O ATOM 331 CB LEU A 176 45.508 22.148 23.462 1.00 9.16 C ATOM 332 CG LEU A 176 45.077 21.263 24.634 1.00 11.90 C ATOM 333 CD1 LEU A 176 46.022 20.072 24.637 1.00 11.21 C ATOM 334 CD2 LEU A 176 45.192 21.930 25.996 1.00 6.93 C ATOM 0 H LEU A 176 43.571 20.810 21.795 1.00 9.97 H new ATOM 0 HA LEU A 176 45.704 22.477 21.459 1.00 8.53 H new ATOM 0 HB2 LEU A 176 46.462 22.290 23.564 1.00 9.16 H new ATOM 0 HB3 LEU A 176 45.078 23.007 23.596 1.00 9.16 H new ATOM 0 HG LEU A 176 44.141 21.040 24.508 1.00 11.90 H new ATOM 0 HD11 LEU A 176 45.790 19.476 25.366 1.00 11.21 H new ATOM 0 HD12 LEU A 176 45.946 19.596 23.795 1.00 11.21 H new ATOM 0 HD13 LEU A 176 46.934 20.382 24.752 1.00 11.21 H new ATOM 0 HD21 LEU A 176 44.903 21.311 26.685 1.00 6.93 H new ATOM 0 HD22 LEU A 176 46.115 22.183 26.156 1.00 6.93 H new ATOM 0 HD23 LEU A 176 44.632 22.722 26.017 1.00 6.93 H new ATOM 336 N VAL A 177 47.193 20.498 21.107 1.00 10.80 N ATOM 337 CA VAL A 177 48.006 19.373 20.651 1.00 11.49 C ATOM 338 C VAL A 177 49.094 19.152 21.696 1.00 11.57 C ATOM 339 O VAL A 177 49.654 20.086 22.264 1.00 13.37 O ATOM 340 CB VAL A 177 48.659 19.674 19.259 1.00 12.66 C ATOM 341 CG1 VAL A 177 49.455 18.428 18.748 1.00 10.97 C ATOM 342 CG2 VAL A 177 47.565 20.041 18.251 1.00 11.03 C ATOM 0 H VAL A 177 47.635 21.235 21.117 1.00 10.80 H new ATOM 0 HA VAL A 177 47.452 18.584 20.546 1.00 11.49 H new ATOM 0 HB VAL A 177 49.276 20.417 19.354 1.00 12.66 H new ATOM 0 HG11 VAL A 177 49.853 18.629 17.887 1.00 10.97 H new ATOM 0 HG12 VAL A 177 50.154 18.208 19.383 1.00 10.97 H new ATOM 0 HG13 VAL A 177 48.852 17.674 18.657 1.00 10.97 H new ATOM 0 HG21 VAL A 177 47.968 20.228 17.389 1.00 11.03 H new ATOM 0 HG22 VAL A 177 46.944 19.301 18.164 1.00 11.03 H new ATOM 0 HG23 VAL A 177 47.089 20.827 18.562 1.00 11.03 H new ATOM 344 N ARG A 178 49.440 17.956 22.061 1.00 12.35 N ATOM 345 CA ARG A 178 50.462 17.767 23.064 1.00 12.22 C ATOM 346 C ARG A 178 51.099 16.430 22.766 1.00 15.03 C ATOM 347 O ARG A 178 50.687 15.730 21.819 1.00 16.57 O ATOM 348 CB ARG A 178 49.833 17.756 24.478 1.00 16.58 C ATOM 349 CG ARG A 178 48.670 16.748 24.620 1.00 12.51 C ATOM 350 CD ARG A 178 48.119 16.589 26.024 1.00 15.13 C ATOM 351 NE ARG A 178 46.975 15.687 26.015 1.00 10.61 N ATOM 352 CZ ARG A 178 47.117 14.378 26.257 1.00 15.21 C ATOM 353 NH1 ARG A 178 48.330 13.827 26.524 1.00 9.49 N ATOM 354 NH2 ARG A 178 45.981 13.642 26.262 1.00 12.64 N ATOM 0 H ARG A 178 49.101 17.231 21.746 1.00 12.35 H new ATOM 0 HA ARG A 178 51.114 18.484 23.043 1.00 12.22 H new ATOM 0 HB2 ARG A 178 50.519 17.542 25.129 1.00 16.58 H new ATOM 0 HB3 ARG A 178 49.509 18.646 24.688 1.00 16.58 H new ATOM 0 HG2 ARG A 178 47.948 17.025 24.034 1.00 12.51 H new ATOM 0 HG3 ARG A 178 48.973 15.881 24.307 1.00 12.51 H new ATOM 0 HD2 ARG A 178 48.808 16.242 26.612 1.00 15.13 H new ATOM 0 HD3 ARG A 178 47.855 17.454 26.375 1.00 15.13 H new ATOM 0 HE ARG A 178 46.192 16.002 25.851 1.00 10.61 H new ATOM 0 HH11 ARG A 178 49.033 14.322 26.541 1.00 9.49 H new ATOM 0 HH12 ARG A 178 48.395 12.983 26.676 1.00 9.49 H new ATOM 0 HH21 ARG A 178 45.223 14.020 26.115 1.00 12.64 H new ATOM 0 HH22 ARG A 178 46.017 12.796 26.412 1.00 12.64 H new ATOM 361 N GLU A 179 52.103 16.052 23.550 1.00 13.87 N ATOM 362 CA GLU A 179 52.683 14.763 23.385 1.00 14.47 C ATOM 363 C GLU A 179 51.777 13.797 24.101 1.00 15.58 C ATOM 364 O GLU A 179 51.034 14.168 25.023 1.00 18.65 O ATOM 365 CB GLU A 179 54.043 14.736 23.996 1.00 15.33 C ATOM 366 CG GLU A 179 55.169 15.243 23.141 1.00 16.16 C ATOM 367 CD GLU A 179 56.487 15.225 23.874 1.00 18.25 C ATOM 368 OE1 GLU A 179 56.716 14.391 24.746 1.00 24.90 O ATOM 369 OE2 GLU A 179 57.337 16.090 23.639 1.00 22.81 O ATOM 0 H GLU A 179 52.449 16.533 24.173 1.00 13.87 H new ATOM 0 HA GLU A 179 52.774 14.533 22.447 1.00 14.47 H new ATOM 0 HB2 GLU A 179 54.020 15.261 24.812 1.00 15.33 H new ATOM 0 HB3 GLU A 179 54.243 13.822 24.252 1.00 15.33 H new ATOM 0 HG2 GLU A 179 55.237 14.699 22.341 1.00 16.16 H new ATOM 0 HG3 GLU A 179 54.973 16.148 22.852 1.00 16.16 H new ATOM 371 N SER A 180 51.731 12.555 23.612 1.00 17.78 N ATOM 372 CA SER A 180 50.973 11.508 24.238 1.00 19.22 C ATOM 373 C SER A 180 51.872 11.067 25.385 1.00 23.39 C ATOM 374 O SER A 180 53.075 10.912 25.170 1.00 26.67 O ATOM 375 CB SER A 180 50.755 10.393 23.229 1.00 15.86 C ATOM 376 OG SER A 180 49.927 9.315 23.690 1.00 17.72 O ATOM 0 H SER A 180 52.147 12.309 22.901 1.00 17.78 H new ATOM 0 HA SER A 180 50.094 11.774 24.551 1.00 19.22 H new ATOM 0 HB2 SER A 180 50.356 10.771 22.430 1.00 15.86 H new ATOM 0 HB3 SER A 180 51.618 10.033 22.972 1.00 15.86 H new ATOM 0 HG SER A 180 49.220 9.626 24.021 1.00 17.72 H new ATOM 379 N GLU A 181 51.381 10.894 26.627 1.00 25.63 N ATOM 380 CA GLU A 181 52.222 10.338 27.709 1.00 27.67 C ATOM 381 C GLU A 181 52.357 8.797 27.572 1.00 29.76 C ATOM 382 O GLU A 181 53.307 8.138 27.985 1.00 34.97 O ATOM 383 CB GLU A 181 51.620 10.526 29.094 1.00 25.23 C ATOM 384 CG GLU A 181 50.995 11.794 29.503 1.00 23.49 C ATOM 385 CD GLU A 181 50.332 11.652 30.848 1.00 24.19 C ATOM 386 OE1 GLU A 181 50.994 11.302 31.798 1.00 22.79 O ATOM 387 OE2 GLU A 181 49.147 11.927 30.983 1.00 23.65 O ATOM 0 H GLU A 181 50.577 11.089 26.861 1.00 25.63 H new ATOM 0 HA GLU A 181 53.064 10.811 27.622 1.00 27.67 H new ATOM 0 HB2 GLU A 181 50.949 9.834 29.204 1.00 25.23 H new ATOM 0 HB3 GLU A 181 52.325 10.342 29.734 1.00 25.23 H new ATOM 0 HG2 GLU A 181 51.666 12.493 29.540 1.00 23.49 H new ATOM 0 HG3 GLU A 181 50.340 12.065 28.841 1.00 23.49 H new ATOM 389 N THR A 182 51.323 8.166 27.026 1.00 29.70 N ATOM 390 CA THR A 182 51.174 6.741 26.917 1.00 27.58 C ATOM 391 C THR A 182 51.804 6.135 25.675 1.00 29.07 C ATOM 392 O THR A 182 51.892 4.902 25.609 1.00 35.00 O ATOM 393 CB THR A 182 49.627 6.582 27.051 1.00 25.57 C ATOM 394 OG1 THR A 182 49.478 6.720 28.440 1.00 28.16 O ATOM 395 CG2 THR A 182 48.948 5.358 26.661 1.00 31.45 C ATOM 0 H THR A 182 50.655 8.593 26.692 1.00 29.70 H new ATOM 0 HA THR A 182 51.659 6.238 27.590 1.00 27.58 H new ATOM 0 HB THR A 182 49.220 7.208 26.432 1.00 25.57 H new ATOM 0 HG1 THR A 182 48.930 7.335 28.603 1.00 28.16 H new ATOM 0 HG21 THR A 182 47.995 5.452 26.818 1.00 31.45 H new ATOM 0 HG22 THR A 182 49.105 5.187 25.719 1.00 31.45 H new ATOM 0 HG23 THR A 182 49.290 4.617 27.185 1.00 31.45 H new ATOM 398 N THR A 183 52.219 6.877 24.654 1.00 28.15 N ATOM 399 CA THR A 183 52.723 6.324 23.394 1.00 24.67 C ATOM 400 C THR A 183 53.820 7.288 23.075 1.00 25.81 C ATOM 401 O THR A 183 53.521 8.415 22.688 1.00 27.32 O ATOM 402 CB THR A 183 51.705 6.397 22.268 1.00 22.17 C ATOM 403 OG1 THR A 183 50.587 5.580 22.537 1.00 23.75 O ATOM 404 CG2 THR A 183 52.322 5.907 20.990 1.00 23.67 C ATOM 0 H THR A 183 52.217 7.737 24.672 1.00 28.15 H new ATOM 0 HA THR A 183 52.968 5.389 23.477 1.00 24.67 H new ATOM 0 HB THR A 183 51.425 7.322 22.190 1.00 22.17 H new ATOM 0 HG1 THR A 183 50.659 5.251 23.307 1.00 23.75 H new ATOM 0 HG21 THR A 183 51.668 5.956 20.275 1.00 23.67 H new ATOM 0 HG22 THR A 183 53.087 6.460 20.767 1.00 23.67 H new ATOM 0 HG23 THR A 183 52.611 4.988 21.101 1.00 23.67 H new ATOM 407 N LYS A 184 55.078 6.926 23.202 1.00 28.94 N ATOM 408 CA LYS A 184 56.142 7.874 22.922 1.00 31.98 C ATOM 409 C LYS A 184 56.179 7.936 21.434 1.00 30.70 C ATOM 410 O LYS A 184 55.871 6.962 20.741 1.00 32.56 O ATOM 411 CB LYS A 184 57.535 7.432 23.340 1.00 34.70 C ATOM 0 H LYS A 184 55.340 6.144 23.447 1.00 28.94 H new ATOM 0 HA LYS A 184 55.952 8.694 23.405 1.00 31.98 H new ATOM 413 N GLY A 185 56.550 9.113 21.014 1.00 26.58 N ATOM 414 CA GLY A 185 56.574 9.357 19.617 1.00 26.92 C ATOM 415 C GLY A 185 55.196 9.757 19.122 1.00 26.25 C ATOM 416 O GLY A 185 55.149 10.193 17.986 1.00 31.98 O ATOM 0 H GLY A 185 56.787 9.771 21.514 1.00 26.58 H new ATOM 0 HA2 GLY A 185 57.212 10.060 19.417 1.00 26.92 H new ATOM 0 HA3 GLY A 185 56.873 8.561 19.150 1.00 26.92 H new ATOM 418 N ALA A 186 54.057 9.602 19.800 1.00 23.23 N ATOM 419 CA ALA A 186 52.822 10.052 19.213 1.00 20.97 C ATOM 420 C ALA A 186 52.430 11.364 19.841 1.00 19.58 C ATOM 421 O ALA A 186 52.962 11.715 20.896 1.00 19.79 O ATOM 422 CB ALA A 186 51.723 9.114 19.477 1.00 23.91 C ATOM 0 H ALA A 186 53.989 9.247 20.580 1.00 23.23 H new ATOM 0 HA ALA A 186 52.965 10.128 18.257 1.00 20.97 H new ATOM 0 HB1 ALA A 186 50.908 9.447 19.069 1.00 23.91 H new ATOM 0 HB2 ALA A 186 51.941 8.246 19.102 1.00 23.91 H new ATOM 0 HB3 ALA A 186 51.593 9.029 20.434 1.00 23.91 H new ATOM 424 N TYR A 187 51.536 12.089 19.187 1.00 15.28 N ATOM 425 CA TYR A 187 51.031 13.328 19.720 1.00 12.28 C ATOM 426 C TYR A 187 49.591 13.097 20.035 1.00 8.89 C ATOM 427 O TYR A 187 49.096 11.998 19.809 1.00 9.62 O ATOM 428 CB TYR A 187 51.101 14.445 18.721 1.00 14.42 C ATOM 429 CG TYR A 187 52.524 14.818 18.469 1.00 17.71 C ATOM 430 CD1 TYR A 187 53.261 14.124 17.509 1.00 21.96 C ATOM 431 CD2 TYR A 187 53.078 15.827 19.245 1.00 20.30 C ATOM 432 CE1 TYR A 187 54.601 14.441 17.327 1.00 23.55 C ATOM 433 CE2 TYR A 187 54.409 16.143 19.072 1.00 22.09 C ATOM 434 CZ TYR A 187 55.162 15.448 18.126 1.00 25.48 C ATOM 435 OH TYR A 187 56.526 15.724 18.055 1.00 33.45 O ATOM 0 H TYR A 187 51.209 11.872 18.422 1.00 15.28 H new ATOM 0 HA TYR A 187 51.562 13.581 20.491 1.00 12.28 H new ATOM 0 HB2 TYR A 187 50.678 14.173 17.891 1.00 14.42 H new ATOM 0 HB3 TYR A 187 50.611 15.214 19.050 1.00 14.42 H new ATOM 0 HD1 TYR A 187 52.861 13.458 16.998 1.00 21.96 H new ATOM 0 HD2 TYR A 187 52.561 16.282 19.870 1.00 20.30 H new ATOM 0 HE1 TYR A 187 55.114 13.996 16.691 1.00 23.55 H new ATOM 0 HE2 TYR A 187 54.801 16.814 19.582 1.00 22.09 H new ATOM 0 HH TYR A 187 56.714 16.347 18.586 1.00 33.45 H new ATOM 438 N CYS A 188 48.859 14.091 20.471 1.00 8.72 N ATOM 439 CA CYS A 188 47.467 13.897 20.793 1.00 10.83 C ATOM 440 C CYS A 188 46.794 15.249 20.647 1.00 10.16 C ATOM 441 O CYS A 188 47.383 16.301 20.925 1.00 14.90 O ATOM 442 CB CYS A 188 47.394 13.357 22.201 1.00 9.12 C ATOM 443 SG CYS A 188 45.755 13.425 22.964 1.00 17.58 S ATOM 0 H CYS A 188 49.149 14.892 20.589 1.00 8.72 H new ATOM 0 HA CYS A 188 47.018 13.264 20.212 1.00 10.83 H new ATOM 0 HB2 CYS A 188 47.695 12.435 22.195 1.00 9.12 H new ATOM 0 HB3 CYS A 188 48.015 13.854 22.756 1.00 9.12 H new ATOM 0 HG CYS A 188 45.515 14.552 23.299 1.00 17.58 H new ATOM 445 N LEU A 189 45.590 15.228 20.082 1.00 11.14 N ATOM 446 CA LEU A 189 44.737 16.386 19.833 1.00 8.73 C ATOM 447 C LEU A 189 43.640 16.291 20.851 1.00 10.05 C ATOM 448 O LEU A 189 42.910 15.304 20.768 1.00 9.96 O ATOM 449 CB LEU A 189 44.125 16.287 18.462 1.00 10.38 C ATOM 450 CG LEU A 189 43.051 17.284 18.064 1.00 11.56 C ATOM 451 CD1 LEU A 189 43.564 18.722 18.141 1.00 6.68 C ATOM 452 CD2 LEU A 189 42.654 16.958 16.654 1.00 8.07 C ATOM 0 H LEU A 189 45.228 14.494 19.818 1.00 11.14 H new ATOM 0 HA LEU A 189 45.236 17.216 19.889 1.00 8.73 H new ATOM 0 HB2 LEU A 189 44.844 16.356 17.814 1.00 10.38 H new ATOM 0 HB3 LEU A 189 43.747 15.398 18.373 1.00 10.38 H new ATOM 0 HG LEU A 189 42.297 17.219 18.671 1.00 11.56 H new ATOM 0 HD11 LEU A 189 42.856 19.333 17.881 1.00 6.68 H new ATOM 0 HD12 LEU A 189 43.843 18.918 19.049 1.00 6.68 H new ATOM 0 HD13 LEU A 189 44.319 18.829 17.541 1.00 6.68 H new ATOM 0 HD21 LEU A 189 41.966 17.575 16.360 1.00 8.07 H new ATOM 0 HD22 LEU A 189 43.427 17.036 16.074 1.00 8.07 H new ATOM 0 HD23 LEU A 189 42.312 16.051 16.615 1.00 8.07 H new ATOM 454 N SER A 190 43.560 17.170 21.850 1.00 10.43 N ATOM 455 CA SER A 190 42.490 17.150 22.794 1.00 7.36 C ATOM 456 C SER A 190 41.490 18.241 22.421 1.00 12.26 C ATOM 457 O SER A 190 41.893 19.388 22.154 1.00 11.50 O ATOM 458 CB SER A 190 43.136 17.348 24.121 1.00 9.07 C ATOM 459 OG SER A 190 43.948 16.199 24.339 1.00 10.83 O ATOM 0 H SER A 190 44.138 17.793 21.985 1.00 10.43 H new ATOM 0 HA SER A 190 41.983 16.323 22.808 1.00 7.36 H new ATOM 0 HB2 SER A 190 43.671 18.157 24.129 1.00 9.07 H new ATOM 0 HB3 SER A 190 42.470 17.440 24.821 1.00 9.07 H new ATOM 0 HG SER A 190 43.515 15.629 24.779 1.00 10.83 H new ATOM 462 N VAL A 191 40.193 17.906 22.362 1.00 13.65 N ATOM 463 CA VAL A 191 39.127 18.806 21.884 1.00 16.79 C ATOM 464 C VAL A 191 37.999 18.853 22.917 1.00 18.38 C ATOM 465 O VAL A 191 37.629 17.774 23.422 1.00 16.84 O ATOM 466 CB VAL A 191 38.502 18.308 20.515 1.00 15.07 C ATOM 467 CG1 VAL A 191 37.611 19.358 19.878 1.00 10.71 C ATOM 468 CG2 VAL A 191 39.595 17.979 19.567 1.00 12.35 C ATOM 0 H VAL A 191 39.902 17.134 22.603 1.00 13.65 H new ATOM 0 HA VAL A 191 39.527 19.680 21.751 1.00 16.79 H new ATOM 0 HB VAL A 191 37.961 17.527 20.709 1.00 15.07 H new ATOM 0 HG11 VAL A 191 37.250 19.015 19.046 1.00 10.71 H new ATOM 0 HG12 VAL A 191 36.883 19.574 20.481 1.00 10.71 H new ATOM 0 HG13 VAL A 191 38.130 20.158 19.699 1.00 10.71 H new ATOM 0 HG21 VAL A 191 39.215 17.674 18.728 1.00 12.35 H new ATOM 0 HG22 VAL A 191 40.135 18.769 19.409 1.00 12.35 H new ATOM 0 HG23 VAL A 191 40.150 17.279 19.944 1.00 12.35 H new ATOM 470 N SER A 192 37.499 20.050 23.306 1.00 20.89 N ATOM 471 CA SER A 192 36.354 20.084 24.199 1.00 23.10 C ATOM 472 C SER A 192 35.035 19.913 23.413 1.00 26.62 C ATOM 473 O SER A 192 34.783 20.352 22.240 1.00 27.74 O ATOM 474 CB SER A 192 36.345 21.355 24.947 1.00 17.97 C ATOM 475 OG SER A 192 36.295 22.428 24.031 1.00 22.75 O ATOM 0 H SER A 192 37.806 20.817 23.066 1.00 20.89 H new ATOM 0 HA SER A 192 36.427 19.346 24.824 1.00 23.10 H new ATOM 0 HB2 SER A 192 35.580 21.387 25.543 1.00 17.97 H new ATOM 0 HB3 SER A 192 37.139 21.424 25.500 1.00 17.97 H new ATOM 0 HG SER A 192 35.553 22.817 24.095 1.00 22.75 H new ATOM 478 N ASP A 193 34.083 19.295 24.100 1.00 30.01 N ATOM 479 CA ASP A 193 32.832 18.984 23.481 1.00 35.21 C ATOM 480 C ASP A 193 31.800 19.151 24.558 1.00 40.12 C ATOM 481 O ASP A 193 32.059 19.292 25.760 1.00 39.38 O ATOM 482 CB ASP A 193 32.966 17.576 22.975 1.00 37.00 C ATOM 483 CG ASP A 193 31.869 17.091 22.068 1.00 40.34 C ATOM 484 OD1 ASP A 193 31.205 17.895 21.434 1.00 39.70 O ATOM 485 OD2 ASP A 193 31.709 15.876 22.001 1.00 42.18 O ATOM 0 H ASP A 193 34.152 19.053 24.922 1.00 30.01 H new ATOM 0 HA ASP A 193 32.577 19.545 22.732 1.00 35.21 H new ATOM 0 HB2 ASP A 193 33.809 17.501 22.501 1.00 37.00 H new ATOM 0 HB3 ASP A 193 33.016 16.981 23.739 1.00 37.00 H new ATOM 487 N PHE A 194 30.576 19.149 24.118 1.00 47.16 N ATOM 488 CA PHE A 194 29.460 19.279 25.017 1.00 53.58 C ATOM 489 C PHE A 194 28.380 18.434 24.373 1.00 57.52 C ATOM 490 O PHE A 194 28.052 18.668 23.178 1.00 57.25 O ATOM 491 CB PHE A 194 28.942 20.742 25.137 1.00 56.57 C ATOM 492 CG PHE A 194 27.546 20.786 25.746 1.00 62.33 C ATOM 493 CD1 PHE A 194 27.350 20.360 27.070 1.00 63.87 C ATOM 494 CD2 PHE A 194 26.435 21.073 24.939 1.00 63.56 C ATOM 495 CE1 PHE A 194 26.060 20.190 27.579 1.00 64.22 C ATOM 496 CE2 PHE A 194 25.150 20.902 25.463 1.00 67.46 C ATOM 497 CZ PHE A 194 24.957 20.474 26.790 1.00 66.86 C ATOM 0 H PHE A 194 30.361 19.072 23.289 1.00 47.16 H new ATOM 0 HA PHE A 194 29.709 19.010 25.915 1.00 53.58 H new ATOM 0 HB2 PHE A 194 29.553 21.260 25.685 1.00 56.57 H new ATOM 0 HB3 PHE A 194 28.928 21.155 24.260 1.00 56.57 H new ATOM 0 HD1 PHE A 194 28.086 20.190 27.613 1.00 63.87 H new ATOM 0 HD2 PHE A 194 26.552 21.373 24.067 1.00 63.56 H new ATOM 0 HE1 PHE A 194 25.941 19.885 28.450 1.00 64.22 H new ATOM 0 HE2 PHE A 194 24.411 21.074 24.926 1.00 67.46 H new ATOM 0 HZ PHE A 194 24.098 20.383 27.134 1.00 66.86 H new ATOM 499 N ASP A 195 27.877 17.496 25.225 1.00 62.08 N ATOM 500 CA ASP A 195 26.712 16.669 24.919 1.00 67.42 C ATOM 501 C ASP A 195 25.784 16.889 26.114 1.00 68.68 C ATOM 502 O ASP A 195 26.186 17.085 27.260 1.00 67.25 O ATOM 503 CB ASP A 195 26.966 15.139 24.789 1.00 70.01 C ATOM 504 CG ASP A 195 27.161 14.290 25.995 1.00 72.26 C ATOM 505 OD1 ASP A 195 26.203 13.806 26.524 1.00 72.47 O ATOM 506 OD2 ASP A 195 28.264 14.104 26.414 1.00 74.79 O ATOM 0 H ASP A 195 28.218 17.335 25.998 1.00 62.08 H new ATOM 0 HA ASP A 195 26.373 16.931 24.049 1.00 67.42 H new ATOM 0 HB2 ASP A 195 26.217 14.767 24.298 1.00 70.01 H new ATOM 0 HB3 ASP A 195 27.753 15.028 24.233 1.00 70.01 H new ATOM 508 N ASN A 196 24.477 16.968 25.844 1.00 72.13 N ATOM 509 CA ASN A 196 23.421 17.213 26.833 1.00 72.54 C ATOM 510 C ASN A 196 23.441 16.329 28.068 1.00 71.55 C ATOM 511 O ASN A 196 23.121 16.796 29.154 1.00 70.20 O ATOM 512 CB ASN A 196 22.050 17.062 26.169 1.00 75.28 C ATOM 0 H ASN A 196 24.169 16.876 25.046 1.00 72.13 H new ATOM 0 HA ASN A 196 23.594 18.114 27.146 1.00 72.54 H new ATOM 514 N ALA A 197 23.806 15.058 27.892 1.00 71.28 N ATOM 515 CA ALA A 197 23.834 14.085 28.974 1.00 69.47 C ATOM 516 C ALA A 197 24.993 14.304 29.919 1.00 66.98 C ATOM 517 O ALA A 197 24.786 14.552 31.106 1.00 66.22 O ATOM 518 CB ALA A 197 23.963 12.631 28.453 1.00 71.39 C ATOM 0 H ALA A 197 24.046 14.737 27.131 1.00 71.28 H new ATOM 0 HA ALA A 197 22.990 14.212 29.435 1.00 69.47 H new ATOM 0 HB1 ALA A 197 23.978 12.018 29.205 1.00 71.39 H new ATOM 0 HB2 ALA A 197 23.207 12.423 27.882 1.00 71.39 H new ATOM 0 HB3 ALA A 197 24.785 12.540 27.946 1.00 71.39 H new ATOM 520 N LYS A 198 26.216 14.204 29.405 1.00 63.94 N ATOM 521 CA LYS A 198 27.393 14.361 30.225 1.00 60.30 C ATOM 522 C LYS A 198 27.875 15.798 30.356 1.00 57.22 C ATOM 523 O LYS A 198 28.760 16.023 31.169 1.00 58.00 O ATOM 524 CB LYS A 198 28.546 13.535 29.666 1.00 60.68 C ATOM 0 H LYS A 198 26.378 14.044 28.576 1.00 63.94 H new ATOM 0 HA LYS A 198 27.126 14.056 31.106 1.00 60.30 H new ATOM 526 N GLY A 199 27.369 16.823 29.674 1.00 52.56 N ATOM 527 CA GLY A 199 27.844 18.192 29.815 1.00 45.22 C ATOM 528 C GLY A 199 29.106 18.416 29.005 1.00 40.70 C ATOM 529 O GLY A 199 29.244 18.042 27.831 1.00 42.11 O ATOM 0 H GLY A 199 26.728 16.738 29.107 1.00 52.56 H new ATOM 0 HA2 GLY A 199 27.155 18.809 29.523 1.00 45.22 H new ATOM 0 HA3 GLY A 199 28.018 18.383 30.750 1.00 45.22 H new ATOM 531 N LEU A 200 30.027 19.102 29.632 1.00 33.97 N ATOM 532 CA LEU A 200 31.305 19.375 29.029 1.00 29.65 C ATOM 533 C LEU A 200 32.151 18.125 29.107 1.00 27.55 C ATOM 534 O LEU A 200 32.275 17.561 30.174 1.00 24.79 O ATOM 535 CB LEU A 200 32.006 20.465 29.776 1.00 29.62 C ATOM 536 CG LEU A 200 31.538 21.892 29.631 1.00 31.20 C ATOM 537 CD1 LEU A 200 32.345 22.792 30.576 1.00 30.77 C ATOM 538 CD2 LEU A 200 31.765 22.352 28.205 1.00 30.19 C ATOM 0 H LEU A 200 29.931 19.425 30.423 1.00 33.97 H new ATOM 0 HA LEU A 200 31.172 19.649 28.108 1.00 29.65 H new ATOM 0 HB2 LEU A 200 31.966 20.242 30.719 1.00 29.62 H new ATOM 0 HB3 LEU A 200 32.940 20.439 29.517 1.00 29.62 H new ATOM 0 HG LEU A 200 30.595 21.945 29.850 1.00 31.20 H new ATOM 0 HD11 LEU A 200 32.045 23.710 30.484 1.00 30.77 H new ATOM 0 HD12 LEU A 200 32.214 22.500 31.492 1.00 30.77 H new ATOM 0 HD13 LEU A 200 33.287 22.736 30.351 1.00 30.77 H new ATOM 0 HD21 LEU A 200 31.465 23.269 28.109 1.00 30.19 H new ATOM 0 HD22 LEU A 200 32.710 22.298 27.994 1.00 30.19 H new ATOM 0 HD23 LEU A 200 31.265 21.784 27.598 1.00 30.19 H new ATOM 540 N ASN A 201 32.768 17.648 28.047 1.00 26.20 N ATOM 541 CA ASN A 201 33.622 16.478 28.108 1.00 24.25 C ATOM 542 C ASN A 201 34.776 16.716 27.138 1.00 22.86 C ATOM 543 O ASN A 201 34.720 17.672 26.362 1.00 23.35 O ATOM 544 CB ASN A 201 32.830 15.242 27.718 1.00 23.35 C ATOM 545 CG ASN A 201 32.183 15.253 26.365 1.00 20.12 C ATOM 546 OD1 ASN A 201 32.722 14.817 25.358 1.00 27.59 O ATOM 547 ND2 ASN A 201 30.956 15.668 26.232 1.00 29.86 N ATOM 0 H ASN A 201 32.704 17.995 27.263 1.00 26.20 H new ATOM 0 HA ASN A 201 33.962 16.335 29.005 1.00 24.25 H new ATOM 0 HB2 ASN A 201 33.423 14.476 27.763 1.00 23.35 H new ATOM 0 HB3 ASN A 201 32.138 15.104 28.383 1.00 23.35 H new ATOM 0 HD21 ASN A 201 30.569 15.626 25.465 1.00 29.86 H new ATOM 0 HD22 ASN A 201 30.533 15.984 26.911 1.00 29.86 H new ATOM 551 N VAL A 202 35.862 15.942 27.172 1.00 20.38 N ATOM 552 CA VAL A 202 37.011 16.151 26.294 1.00 20.09 C ATOM 553 C VAL A 202 37.230 14.843 25.543 1.00 18.55 C ATOM 554 O VAL A 202 37.110 13.779 26.158 1.00 20.54 O ATOM 555 CB VAL A 202 38.225 16.522 27.175 1.00 17.31 C ATOM 556 CG1 VAL A 202 39.501 16.546 26.369 1.00 17.93 C ATOM 557 CG2 VAL A 202 37.991 17.901 27.774 1.00 13.30 C ATOM 0 H VAL A 202 35.952 15.277 27.710 1.00 20.38 H new ATOM 0 HA VAL A 202 36.876 16.868 25.655 1.00 20.09 H new ATOM 0 HB VAL A 202 38.317 15.853 27.872 1.00 17.31 H new ATOM 0 HG11 VAL A 202 40.244 16.781 26.946 1.00 17.93 H new ATOM 0 HG12 VAL A 202 39.657 15.670 25.983 1.00 17.93 H new ATOM 0 HG13 VAL A 202 39.423 17.202 25.659 1.00 17.93 H new ATOM 0 HG21 VAL A 202 38.747 18.145 28.330 1.00 13.30 H new ATOM 0 HG22 VAL A 202 37.891 18.551 27.061 1.00 13.30 H new ATOM 0 HG23 VAL A 202 37.185 17.887 28.314 1.00 13.30 H new ATOM 559 N LYS A 203 37.470 14.860 24.230 1.00 16.97 N ATOM 560 CA LYS A 203 37.726 13.638 23.476 1.00 16.75 C ATOM 561 C LYS A 203 39.204 13.701 23.140 1.00 14.01 C ATOM 562 O LYS A 203 39.665 14.802 22.932 1.00 15.40 O ATOM 563 CB LYS A 203 36.982 13.583 22.143 1.00 22.96 C ATOM 564 CG LYS A 203 35.474 13.762 22.100 1.00 26.46 C ATOM 565 CD LYS A 203 34.783 12.628 22.743 1.00 27.74 C ATOM 566 CE LYS A 203 33.292 12.627 22.375 1.00 32.91 C ATOM 567 NZ LYS A 203 32.597 13.754 22.969 1.00 33.70 N ATOM 0 H LYS A 203 37.488 15.578 23.756 1.00 16.97 H new ATOM 0 HA LYS A 203 37.443 12.872 24.000 1.00 16.75 H new ATOM 0 HB2 LYS A 203 37.369 14.263 21.570 1.00 22.96 H new ATOM 0 HB3 LYS A 203 37.181 12.724 21.738 1.00 22.96 H new ATOM 0 HG2 LYS A 203 35.231 14.588 22.547 1.00 26.46 H new ATOM 0 HG3 LYS A 203 35.181 13.842 21.179 1.00 26.46 H new ATOM 0 HD2 LYS A 203 35.191 11.793 22.464 1.00 27.74 H new ATOM 0 HD3 LYS A 203 34.884 12.685 23.706 1.00 27.74 H new ATOM 0 HE2 LYS A 203 33.196 12.658 21.410 1.00 32.91 H new ATOM 0 HE3 LYS A 203 32.884 11.799 22.674 1.00 32.91 H new ATOM 0 HZ1 LYS A 203 31.746 13.536 23.113 1.00 33.70 H new ATOM 0 HZ2 LYS A 203 32.983 13.967 23.742 1.00 33.70 H new ATOM 0 HZ3 LYS A 203 32.635 14.451 22.417 1.00 33.70 H new ATOM 572 N HIS A 204 40.036 12.679 23.041 1.00 10.92 N ATOM 573 CA HIS A 204 41.442 12.828 22.771 1.00 11.48 C ATOM 574 C HIS A 204 41.720 11.981 21.557 1.00 14.45 C ATOM 575 O HIS A 204 41.382 10.804 21.552 1.00 18.23 O ATOM 576 CB HIS A 204 42.252 12.289 23.888 1.00 7.76 C ATOM 577 CG HIS A 204 42.040 13.005 25.198 1.00 10.63 C ATOM 578 ND1 HIS A 204 42.741 14.032 25.678 1.00 9.04 N ATOM 579 CD2 HIS A 204 41.047 12.720 26.106 1.00 11.32 C ATOM 580 CE1 HIS A 204 42.234 14.410 26.837 1.00 9.54 C ATOM 581 NE2 HIS A 204 41.215 13.610 27.069 1.00 13.29 N ATOM 0 H HIS A 204 39.787 11.861 23.132 1.00 10.92 H new ATOM 0 HA HIS A 204 41.665 13.764 22.648 1.00 11.48 H new ATOM 0 HB2 HIS A 204 42.041 11.350 24.005 1.00 7.76 H new ATOM 0 HB3 HIS A 204 43.191 12.341 23.649 1.00 7.76 H new ATOM 0 HD2 HIS A 204 40.402 12.052 26.054 1.00 11.32 H new ATOM 0 HE1 HIS A 204 42.536 15.102 27.380 1.00 9.54 H new ATOM 0 HE2 HIS A 204 40.716 13.660 27.767 1.00 13.29 H new ATOM 585 N TYR A 205 42.366 12.478 20.532 1.00 14.51 N ATOM 586 CA TYR A 205 42.568 11.716 19.327 1.00 13.85 C ATOM 587 C TYR A 205 44.049 11.493 19.182 1.00 15.54 C ATOM 588 O TYR A 205 44.757 12.487 19.134 1.00 19.32 O ATOM 589 CB TYR A 205 42.045 12.509 18.134 1.00 9.70 C ATOM 590 CG TYR A 205 40.570 12.792 18.220 1.00 9.27 C ATOM 591 CD1 TYR A 205 40.102 13.905 18.919 1.00 12.34 C ATOM 592 CD2 TYR A 205 39.675 11.922 17.604 1.00 11.10 C ATOM 593 CE1 TYR A 205 38.726 14.130 19.002 1.00 10.23 C ATOM 594 CE2 TYR A 205 38.303 12.144 17.679 1.00 10.50 C ATOM 595 CZ TYR A 205 37.850 13.242 18.376 1.00 12.71 C ATOM 596 OH TYR A 205 36.510 13.491 18.451 1.00 17.34 O ATOM 0 H TYR A 205 42.702 13.269 20.513 1.00 14.51 H new ATOM 0 HA TYR A 205 42.097 10.869 19.366 1.00 13.85 H new ATOM 0 HB2 TYR A 205 42.528 13.348 18.073 1.00 9.70 H new ATOM 0 HB3 TYR A 205 42.228 12.016 17.319 1.00 9.70 H new ATOM 0 HD1 TYR A 205 40.700 14.491 19.325 1.00 12.34 H new ATOM 0 HD2 TYR A 205 39.997 11.185 17.137 1.00 11.10 H new ATOM 0 HE1 TYR A 205 38.397 14.864 19.469 1.00 10.23 H new ATOM 0 HE2 TYR A 205 37.705 11.563 17.267 1.00 10.50 H new ATOM 0 HH TYR A 205 36.375 14.153 18.951 1.00 17.34 H new ATOM 599 N LYS A 206 44.606 10.300 19.078 1.00 15.92 N ATOM 600 CA LYS A 206 46.034 10.191 18.942 1.00 16.13 C ATOM 601 C LYS A 206 46.511 10.728 17.584 1.00 15.31 C ATOM 602 O LYS A 206 45.724 10.659 16.664 1.00 15.19 O ATOM 603 CB LYS A 206 46.369 8.741 19.124 1.00 17.52 C ATOM 604 CG LYS A 206 47.864 8.519 19.295 1.00 22.30 C ATOM 605 CD LYS A 206 48.101 7.115 19.793 1.00 25.48 C ATOM 606 CE LYS A 206 47.741 7.043 21.258 1.00 29.83 C ATOM 607 NZ LYS A 206 48.025 5.760 21.863 1.00 32.14 N ATOM 0 H LYS A 206 44.178 9.554 19.084 1.00 15.92 H new ATOM 0 HA LYS A 206 46.490 10.730 19.607 1.00 16.13 H new ATOM 0 HB2 LYS A 206 45.901 8.397 19.901 1.00 17.52 H new ATOM 0 HB3 LYS A 206 46.054 8.238 18.357 1.00 17.52 H new ATOM 0 HG2 LYS A 206 48.321 8.656 18.451 1.00 22.30 H new ATOM 0 HG3 LYS A 206 48.228 9.163 19.923 1.00 22.30 H new ATOM 0 HD2 LYS A 206 47.566 6.485 19.286 1.00 25.48 H new ATOM 0 HD3 LYS A 206 49.030 6.866 19.664 1.00 25.48 H new ATOM 0 HE2 LYS A 206 48.227 7.732 21.737 1.00 29.83 H new ATOM 0 HE3 LYS A 206 46.796 7.238 21.361 1.00 29.83 H new ATOM 0 HZ1 LYS A 206 47.779 5.774 22.718 1.00 32.14 H new ATOM 0 HZ2 LYS A 206 47.573 5.123 21.435 1.00 32.14 H new ATOM 0 HZ3 LYS A 206 48.897 5.592 21.808 1.00 32.14 H new ATOM 612 N ILE A 207 47.712 11.308 17.383 1.00 13.00 N ATOM 613 CA ILE A 207 48.210 11.731 16.090 1.00 12.65 C ATOM 614 C ILE A 207 49.468 10.884 15.848 1.00 13.01 C ATOM 615 O ILE A 207 50.418 10.857 16.643 1.00 14.43 O ATOM 616 CB ILE A 207 48.520 13.211 16.122 1.00 11.01 C ATOM 617 CG1 ILE A 207 47.240 14.053 16.306 1.00 8.39 C ATOM 618 CG2 ILE A 207 49.077 13.588 14.781 1.00 8.68 C ATOM 619 CD1 ILE A 207 47.469 15.567 16.614 1.00 2.50 C ATOM 0 H ILE A 207 48.263 11.464 18.024 1.00 13.00 H new ATOM 0 HA ILE A 207 47.567 11.603 15.375 1.00 12.65 H new ATOM 0 HB ILE A 207 49.132 13.378 16.856 1.00 11.01 H new ATOM 0 HG12 ILE A 207 46.705 13.980 15.500 1.00 8.39 H new ATOM 0 HG13 ILE A 207 46.719 13.667 17.028 1.00 8.39 H new ATOM 0 HG21 ILE A 207 49.286 14.535 14.772 1.00 8.68 H new ATOM 0 HG22 ILE A 207 49.884 13.078 14.611 1.00 8.68 H new ATOM 0 HG23 ILE A 207 48.422 13.395 14.092 1.00 8.68 H new ATOM 0 HD11 ILE A 207 46.612 16.011 16.713 1.00 2.50 H new ATOM 0 HD12 ILE A 207 47.976 15.657 17.436 1.00 2.50 H new ATOM 0 HD13 ILE A 207 47.962 15.975 15.885 1.00 2.50 H new ATOM 621 N ARG A 208 49.490 10.061 14.814 1.00 12.36 N ATOM 622 CA ARG A 208 50.661 9.246 14.604 1.00 16.16 C ATOM 623 C ARG A 208 51.580 9.975 13.645 1.00 17.80 C ATOM 624 O ARG A 208 51.114 10.760 12.824 1.00 14.32 O ATOM 625 CB ARG A 208 50.320 7.953 13.980 1.00 12.40 C ATOM 626 CG ARG A 208 49.476 7.119 14.846 1.00 18.24 C ATOM 627 CD ARG A 208 50.284 6.471 15.915 1.00 14.89 C ATOM 628 NE ARG A 208 49.355 5.593 16.602 1.00 17.43 N ATOM 629 CZ ARG A 208 49.706 4.608 17.453 1.00 19.66 C ATOM 630 NH1 ARG A 208 50.966 4.360 17.745 1.00 18.20 N ATOM 631 NH2 ARG A 208 48.760 3.868 18.028 1.00 19.83 N ATOM 0 H ARG A 208 48.857 9.963 14.240 1.00 12.36 H new ATOM 0 HA ARG A 208 51.075 9.085 15.466 1.00 16.16 H new ATOM 0 HB2 ARG A 208 49.860 8.113 13.141 1.00 12.40 H new ATOM 0 HB3 ARG A 208 51.136 7.473 13.769 1.00 12.40 H new ATOM 0 HG2 ARG A 208 48.781 7.664 15.247 1.00 18.24 H new ATOM 0 HG3 ARG A 208 49.033 6.440 14.314 1.00 18.24 H new ATOM 0 HD2 ARG A 208 51.028 5.973 15.541 1.00 14.89 H new ATOM 0 HD3 ARG A 208 50.659 7.129 16.520 1.00 14.89 H new ATOM 0 HE ARG A 208 48.516 5.710 16.455 1.00 17.43 H new ATOM 0 HH11 ARG A 208 51.591 4.832 17.390 1.00 18.20 H new ATOM 0 HH12 ARG A 208 51.164 3.726 18.291 1.00 18.20 H new ATOM 0 HH21 ARG A 208 47.931 4.020 17.856 1.00 19.83 H new ATOM 0 HH22 ARG A 208 48.978 3.238 18.572 1.00 19.83 H new ATOM 638 N LYS A 209 52.863 9.677 13.674 1.00 22.18 N ATOM 639 CA LYS A 209 53.835 10.282 12.777 1.00 28.09 C ATOM 640 C LYS A 209 54.273 9.233 11.783 1.00 30.61 C ATOM 641 O LYS A 209 54.643 8.120 12.170 1.00 32.01 O ATOM 642 CB LYS A 209 54.988 10.730 13.618 1.00 29.47 C ATOM 643 CG LYS A 209 56.249 11.139 12.927 1.00 36.05 C ATOM 644 CD LYS A 209 56.063 12.433 12.214 1.00 42.80 C ATOM 645 CE LYS A 209 57.271 12.731 11.349 1.00 44.79 C ATOM 646 NZ LYS A 209 58.445 13.116 12.092 1.00 48.88 N ATOM 0 H LYS A 209 53.203 9.109 14.223 1.00 22.18 H new ATOM 0 HA LYS A 209 53.469 11.038 12.292 1.00 28.09 H new ATOM 0 HB2 LYS A 209 54.689 11.479 14.156 1.00 29.47 H new ATOM 0 HB3 LYS A 209 55.206 10.010 14.230 1.00 29.47 H new ATOM 0 HG2 LYS A 209 56.966 11.222 13.575 1.00 36.05 H new ATOM 0 HG3 LYS A 209 56.515 10.452 12.296 1.00 36.05 H new ATOM 0 HD2 LYS A 209 55.265 12.396 11.665 1.00 42.80 H new ATOM 0 HD3 LYS A 209 55.932 13.148 12.856 1.00 42.80 H new ATOM 0 HE2 LYS A 209 57.479 11.946 10.818 1.00 44.79 H new ATOM 0 HE3 LYS A 209 57.045 13.441 10.728 1.00 44.79 H new ATOM 0 HZ1 LYS A 209 59.114 13.276 11.528 1.00 48.88 H new ATOM 0 HZ2 LYS A 209 58.271 13.852 12.562 1.00 48.88 H new ATOM 0 HZ3 LYS A 209 58.675 12.458 12.646 1.00 48.88 H new ATOM 651 N LEU A 210 54.195 9.488 10.491 1.00 33.27 N ATOM 652 CA LEU A 210 54.682 8.511 9.528 1.00 37.19 C ATOM 653 C LEU A 210 56.188 8.612 9.592 1.00 43.07 C ATOM 654 O LEU A 210 56.703 9.737 9.674 1.00 44.90 O ATOM 655 CB LEU A 210 54.255 8.857 8.141 1.00 31.19 C ATOM 656 CG LEU A 210 52.789 8.896 8.003 1.00 31.94 C ATOM 657 CD1 LEU A 210 52.355 9.673 6.756 1.00 31.85 C ATOM 658 CD2 LEU A 210 52.334 7.459 8.039 1.00 32.98 C ATOM 0 H LEU A 210 53.870 10.208 10.151 1.00 33.27 H new ATOM 0 HA LEU A 210 54.339 7.627 9.734 1.00 37.19 H new ATOM 0 HB2 LEU A 210 54.624 9.720 7.897 1.00 31.19 H new ATOM 0 HB3 LEU A 210 54.619 8.207 7.520 1.00 31.19 H new ATOM 0 HG LEU A 210 52.364 9.385 8.725 1.00 31.94 H new ATOM 0 HD11 LEU A 210 51.387 9.678 6.698 1.00 31.85 H new ATOM 0 HD12 LEU A 210 52.679 10.585 6.814 1.00 31.85 H new ATOM 0 HD13 LEU A 210 52.724 9.249 5.965 1.00 31.85 H new ATOM 0 HD21 LEU A 210 51.369 7.423 7.952 1.00 32.98 H new ATOM 0 HD22 LEU A 210 52.743 6.971 7.307 1.00 32.98 H new ATOM 0 HD23 LEU A 210 52.597 7.057 8.882 1.00 32.98 H new ATOM 660 N ASP A 211 56.938 7.524 9.575 1.00 49.19 N ATOM 661 CA ASP A 211 58.398 7.619 9.565 1.00 54.48 C ATOM 662 C ASP A 211 58.914 8.425 8.366 1.00 54.10 C ATOM 663 O ASP A 211 59.885 9.189 8.430 1.00 52.88 O ATOM 664 CB ASP A 211 59.018 6.215 9.557 1.00 60.14 C ATOM 665 CG ASP A 211 58.412 5.120 8.660 1.00 66.90 C ATOM 666 OD1 ASP A 211 57.483 5.365 7.864 1.00 71.60 O ATOM 667 OD2 ASP A 211 58.853 3.972 8.791 1.00 71.24 O ATOM 0 H ASP A 211 56.629 6.722 9.569 1.00 49.19 H new ATOM 0 HA ASP A 211 58.664 8.088 10.371 1.00 54.48 H new ATOM 0 HB2 ASP A 211 59.950 6.311 9.308 1.00 60.14 H new ATOM 0 HB3 ASP A 211 59.001 5.885 10.469 1.00 60.14 H new ATOM 669 N SER A 212 58.169 8.364 7.275 1.00 54.23 N ATOM 670 CA SER A 212 58.477 9.149 6.099 1.00 55.92 C ATOM 671 C SER A 212 58.253 10.643 6.257 1.00 55.29 C ATOM 672 O SER A 212 58.528 11.380 5.310 1.00 57.25 O ATOM 673 CB SER A 212 57.646 8.614 4.931 1.00 60.08 C ATOM 674 OG SER A 212 56.299 8.286 5.284 1.00 65.68 O ATOM 0 H SER A 212 57.472 7.867 7.197 1.00 54.23 H new ATOM 0 HA SER A 212 59.429 9.053 5.938 1.00 55.92 H new ATOM 0 HB2 SER A 212 57.634 9.277 4.223 1.00 60.08 H new ATOM 0 HB3 SER A 212 58.079 7.824 4.572 1.00 60.08 H new ATOM 0 HG SER A 212 55.893 8.001 4.606 1.00 65.68 H new ATOM 677 N GLY A 213 57.700 11.148 7.360 1.00 52.53 N ATOM 678 CA GLY A 213 57.538 12.588 7.493 1.00 47.19 C ATOM 679 C GLY A 213 56.185 13.107 7.972 1.00 43.34 C ATOM 680 O GLY A 213 56.153 13.850 8.957 1.00 42.52 O ATOM 0 H GLY A 213 57.419 10.683 8.027 1.00 52.53 H new ATOM 0 HA2 GLY A 213 58.216 12.909 8.108 1.00 47.19 H new ATOM 0 HA3 GLY A 213 57.724 12.990 6.630 1.00 47.19 H new ATOM 682 N GLY A 214 55.077 12.729 7.355 1.00 36.92 N ATOM 683 CA GLY A 214 53.802 13.275 7.724 1.00 29.13 C ATOM 684 C GLY A 214 53.214 12.912 9.076 1.00 24.36 C ATOM 685 O GLY A 214 53.852 12.291 9.920 1.00 26.65 O ATOM 0 H GLY A 214 55.050 12.153 6.717 1.00 36.92 H new ATOM 0 HA2 GLY A 214 53.874 14.242 7.685 1.00 29.13 H new ATOM 0 HA3 GLY A 214 53.162 13.011 7.045 1.00 29.13 H new ATOM 687 N PHE A 215 51.925 13.218 9.210 1.00 17.82 N ATOM 688 CA PHE A 215 51.139 13.094 10.410 1.00 14.45 C ATOM 689 C PHE A 215 49.759 12.626 10.007 1.00 15.50 C ATOM 690 O PHE A 215 49.257 13.064 8.970 1.00 16.21 O ATOM 691 CB PHE A 215 50.950 14.433 11.091 1.00 9.77 C ATOM 692 CG PHE A 215 52.258 14.856 11.704 1.00 11.23 C ATOM 693 CD1 PHE A 215 52.650 14.329 12.929 1.00 11.74 C ATOM 694 CD2 PHE A 215 53.082 15.750 11.029 1.00 11.43 C ATOM 695 CE1 PHE A 215 53.878 14.702 13.459 1.00 13.95 C ATOM 696 CE2 PHE A 215 54.309 16.122 11.559 1.00 10.39 C ATOM 697 CZ PHE A 215 54.703 15.603 12.782 1.00 10.89 C ATOM 0 H PHE A 215 51.465 13.524 8.551 1.00 17.82 H new ATOM 0 HA PHE A 215 51.593 12.483 11.011 1.00 14.45 H new ATOM 0 HB2 PHE A 215 50.650 15.096 10.450 1.00 9.77 H new ATOM 0 HB3 PHE A 215 50.265 14.368 11.774 1.00 9.77 H new ATOM 0 HD1 PHE A 215 52.099 13.736 13.386 1.00 11.74 H new ATOM 0 HD2 PHE A 215 52.808 16.102 10.213 1.00 11.43 H new ATOM 0 HE1 PHE A 215 54.154 14.348 14.274 1.00 13.95 H new ATOM 0 HE2 PHE A 215 54.861 16.713 11.099 1.00 10.39 H new ATOM 0 HZ PHE A 215 55.518 15.855 13.153 1.00 10.89 H new ATOM 699 N TYR A 216 49.102 11.761 10.793 1.00 16.45 N ATOM 700 CA TYR A 216 47.724 11.391 10.503 1.00 12.83 C ATOM 701 C TYR A 216 46.929 11.054 11.761 1.00 12.05 C ATOM 702 O TYR A 216 47.508 10.637 12.768 1.00 11.88 O ATOM 703 CB TYR A 216 47.614 10.150 9.532 1.00 13.86 C ATOM 704 CG TYR A 216 48.073 8.859 10.140 1.00 9.42 C ATOM 705 CD1 TYR A 216 47.198 8.085 10.859 1.00 12.40 C ATOM 706 CD2 TYR A 216 49.394 8.465 10.020 1.00 13.44 C ATOM 707 CE1 TYR A 216 47.642 6.903 11.434 1.00 14.64 C ATOM 708 CE2 TYR A 216 49.858 7.295 10.583 1.00 13.29 C ATOM 709 CZ TYR A 216 48.957 6.514 11.283 1.00 15.60 C ATOM 710 OH TYR A 216 49.283 5.305 11.945 1.00 19.98 O ATOM 0 H TYR A 216 49.438 11.385 11.490 1.00 16.45 H new ATOM 0 HA TYR A 216 47.352 12.178 10.075 1.00 12.83 H new ATOM 0 HB2 TYR A 216 46.691 10.053 9.248 1.00 13.86 H new ATOM 0 HB3 TYR A 216 48.139 10.327 8.735 1.00 13.86 H new ATOM 0 HD1 TYR A 216 46.313 8.351 10.960 1.00 12.40 H new ATOM 0 HD2 TYR A 216 49.985 9.004 9.546 1.00 13.44 H new ATOM 0 HE1 TYR A 216 47.053 6.373 11.921 1.00 14.64 H new ATOM 0 HE2 TYR A 216 50.748 7.040 10.495 1.00 13.29 H new ATOM 0 HH TYR A 216 48.647 5.078 12.444 1.00 19.98 H new ATOM 713 N ILE A 217 45.625 11.306 11.671 1.00 11.79 N ATOM 714 CA ILE A 217 44.608 10.922 12.609 1.00 11.55 C ATOM 715 C ILE A 217 43.800 9.840 11.835 1.00 14.21 C ATOM 716 O ILE A 217 43.545 8.805 12.435 1.00 17.31 O ATOM 717 CB ILE A 217 43.737 12.118 12.978 1.00 11.25 C ATOM 718 CG1 ILE A 217 44.601 13.156 13.749 1.00 7.67 C ATOM 719 CG2 ILE A 217 42.578 11.662 13.866 1.00 4.90 C ATOM 720 CD1 ILE A 217 43.725 14.319 14.310 1.00 10.21 C ATOM 0 H ILE A 217 45.299 11.740 11.004 1.00 11.79 H new ATOM 0 HA ILE A 217 44.962 10.592 13.450 1.00 11.55 H new ATOM 0 HB ILE A 217 43.380 12.520 12.171 1.00 11.25 H new ATOM 0 HG12 ILE A 217 45.064 12.716 14.479 1.00 7.67 H new ATOM 0 HG13 ILE A 217 45.281 13.516 13.158 1.00 7.67 H new ATOM 0 HG21 ILE A 217 42.027 12.426 14.098 1.00 4.90 H new ATOM 0 HG22 ILE A 217 42.041 11.010 13.388 1.00 4.90 H new ATOM 0 HG23 ILE A 217 42.929 11.260 14.676 1.00 4.90 H new ATOM 0 HD11 ILE A 217 44.289 14.949 14.785 1.00 10.21 H new ATOM 0 HD12 ILE A 217 43.280 14.772 13.577 1.00 10.21 H new ATOM 0 HD13 ILE A 217 43.060 13.959 14.918 1.00 10.21 H new ATOM 722 N THR A 218 43.326 9.866 10.559 1.00 17.06 N ATOM 723 CA THR A 218 42.637 8.767 9.885 1.00 15.61 C ATOM 724 C THR A 218 43.275 8.451 8.514 1.00 15.85 C ATOM 725 O THR A 218 44.115 9.177 8.013 1.00 14.60 O ATOM 726 CB THR A 218 41.150 9.095 9.642 1.00 14.29 C ATOM 727 OG1 THR A 218 41.132 10.144 8.685 1.00 19.05 O ATOM 728 CG2 THR A 218 40.399 9.577 10.880 1.00 10.47 C ATOM 0 H THR A 218 43.409 10.560 10.057 1.00 17.06 H new ATOM 0 HA THR A 218 42.718 8.001 10.474 1.00 15.61 H new ATOM 0 HB THR A 218 40.706 8.281 9.357 1.00 14.29 H new ATOM 0 HG1 THR A 218 40.769 10.823 9.020 1.00 19.05 H new ATOM 0 HG21 THR A 218 39.476 9.762 10.647 1.00 10.47 H new ATOM 0 HG22 THR A 218 40.428 8.890 11.564 1.00 10.47 H new ATOM 0 HG23 THR A 218 40.815 10.386 11.217 1.00 10.47 H new ATOM 731 N SER A 219 42.846 7.392 7.831 1.00 15.86 N ATOM 732 CA SER A 219 43.353 6.980 6.536 1.00 15.44 C ATOM 733 C SER A 219 42.856 7.849 5.423 1.00 19.58 C ATOM 734 O SER A 219 43.219 7.670 4.271 1.00 19.85 O ATOM 735 CB SER A 219 42.883 5.628 6.254 1.00 10.71 C ATOM 736 OG SER A 219 41.484 5.620 6.473 1.00 9.30 O ATOM 0 H SER A 219 42.225 6.876 8.127 1.00 15.86 H new ATOM 0 HA SER A 219 44.320 7.040 6.578 1.00 15.44 H new ATOM 0 HB2 SER A 219 43.088 5.377 5.340 1.00 10.71 H new ATOM 0 HB3 SER A 219 43.324 4.984 6.830 1.00 10.71 H new ATOM 0 HG SER A 219 41.180 4.853 6.317 1.00 9.30 H new ATOM 739 N ARG A 220 41.886 8.709 5.702 1.00 24.47 N ATOM 740 CA ARG A 220 41.370 9.625 4.706 1.00 25.92 C ATOM 741 C ARG A 220 42.386 10.620 4.226 1.00 25.14 C ATOM 742 O ARG A 220 42.572 10.643 3.006 1.00 26.15 O ATOM 743 CB ARG A 220 40.219 10.429 5.208 1.00 26.99 C ATOM 744 CG ARG A 220 39.469 10.815 3.955 1.00 31.63 C ATOM 745 CD ARG A 220 38.359 11.589 4.503 1.00 40.43 C ATOM 746 NE ARG A 220 37.221 11.756 3.644 1.00 47.44 N ATOM 747 CZ ARG A 220 36.924 12.943 3.085 1.00 55.77 C ATOM 748 NH1 ARG A 220 37.631 14.088 3.275 1.00 59.86 N ATOM 749 NH2 ARG A 220 35.732 13.016 2.490 1.00 63.33 N ATOM 0 H ARG A 220 41.511 8.776 6.473 1.00 24.47 H new ATOM 0 HA ARG A 220 41.101 9.039 3.981 1.00 25.92 H new ATOM 0 HB2 ARG A 220 39.661 9.913 5.811 1.00 26.99 H new ATOM 0 HB3 ARG A 220 40.519 11.211 5.698 1.00 26.99 H new ATOM 0 HG2 ARG A 220 40.016 11.340 3.350 1.00 31.63 H new ATOM 0 HG3 ARG A 220 39.163 10.039 3.460 1.00 31.63 H new ATOM 0 HD2 ARG A 220 38.063 11.161 5.322 1.00 40.43 H new ATOM 0 HD3 ARG A 220 38.690 12.468 4.746 1.00 40.43 H new ATOM 0 HE ARG A 220 36.716 11.079 3.482 1.00 47.44 H new ATOM 0 HH11 ARG A 220 38.324 14.086 3.784 1.00 59.86 H new ATOM 0 HH12 ARG A 220 37.385 14.815 2.886 1.00 59.86 H new ATOM 0 HH21 ARG A 220 35.212 12.331 2.483 1.00 63.33 H new ATOM 0 HH22 ARG A 220 35.483 13.748 2.114 1.00 63.33 H new ATOM 756 N THR A 221 43.121 11.324 5.087 1.00 25.21 N ATOM 757 CA THR A 221 44.076 12.294 4.600 1.00 27.04 C ATOM 758 C THR A 221 45.266 12.205 5.500 1.00 22.42 C ATOM 759 O THR A 221 45.101 11.839 6.653 1.00 22.49 O ATOM 760 CB THR A 221 43.510 13.747 4.691 1.00 33.69 C ATOM 761 OG1 THR A 221 42.150 13.827 4.201 1.00 41.34 O ATOM 762 CG2 THR A 221 44.366 14.675 3.805 1.00 38.77 C ATOM 0 H THR A 221 43.078 11.251 5.943 1.00 25.21 H new ATOM 0 HA THR A 221 44.287 12.108 3.672 1.00 27.04 H new ATOM 0 HB THR A 221 43.531 14.010 5.625 1.00 33.69 H new ATOM 0 HG1 THR A 221 41.875 14.618 4.264 1.00 41.34 H new ATOM 0 HG21 THR A 221 44.021 15.580 3.856 1.00 38.77 H new ATOM 0 HG22 THR A 221 45.285 14.662 4.115 1.00 38.77 H new ATOM 0 HG23 THR A 221 44.331 14.367 2.886 1.00 38.77 H new ATOM 765 N GLN A 222 46.443 12.530 5.024 1.00 22.39 N ATOM 766 CA GLN A 222 47.600 12.574 5.899 1.00 26.20 C ATOM 767 C GLN A 222 48.177 13.968 5.726 1.00 26.91 C ATOM 768 O GLN A 222 47.796 14.661 4.772 1.00 29.00 O ATOM 769 CB GLN A 222 48.648 11.547 5.552 1.00 30.61 C ATOM 770 CG GLN A 222 49.132 11.397 4.084 1.00 44.34 C ATOM 771 CD GLN A 222 48.143 10.678 3.097 1.00 52.36 C ATOM 772 OE1 GLN A 222 46.830 10.619 3.458 1.00 66.08 O flip ATOM 773 NE2 GLN A 222 48.297 10.416 1.807 1.00 51.37 N flip ATOM 0 H GLN A 222 46.600 12.729 4.202 1.00 22.39 H new ATOM 0 HA GLN A 222 47.333 12.375 6.810 1.00 26.20 H new ATOM 0 HB2 GLN A 222 49.429 11.737 6.095 1.00 30.61 H new ATOM 0 HB3 GLN A 222 48.310 10.683 5.834 1.00 30.61 H new ATOM 0 HG2 GLN A 222 49.323 12.281 3.734 1.00 44.34 H new ATOM 0 HG3 GLN A 222 49.969 10.907 4.088 1.00 44.34 H new ATOM 0 HE21 GLN A 222 49.083 10.423 1.458 1.00 51.37 H new ATOM 0 HE22 GLN A 222 47.611 10.239 1.319 1.00 51.37 H new ATOM 777 N PHE A 223 49.096 14.511 6.525 1.00 24.25 N ATOM 778 CA PHE A 223 49.564 15.909 6.404 1.00 21.71 C ATOM 779 C PHE A 223 51.046 15.989 6.583 1.00 21.50 C ATOM 780 O PHE A 223 51.585 15.168 7.297 1.00 16.83 O ATOM 781 CB PHE A 223 49.024 16.832 7.474 1.00 19.54 C ATOM 782 CG PHE A 223 47.521 16.728 7.532 1.00 19.64 C ATOM 783 CD1 PHE A 223 46.743 17.520 6.696 1.00 19.73 C ATOM 784 CD2 PHE A 223 46.937 15.812 8.404 1.00 21.77 C ATOM 785 CE1 PHE A 223 45.358 17.373 6.732 1.00 19.71 C ATOM 786 CE2 PHE A 223 45.550 15.680 8.425 1.00 22.23 C ATOM 787 CZ PHE A 223 44.754 16.464 7.594 1.00 16.50 C ATOM 0 H PHE A 223 49.475 14.077 7.164 1.00 24.25 H new ATOM 0 HA PHE A 223 49.257 16.181 5.525 1.00 21.71 H new ATOM 0 HB2 PHE A 223 49.406 16.600 8.335 1.00 19.54 H new ATOM 0 HB3 PHE A 223 49.286 17.747 7.285 1.00 19.54 H new ATOM 0 HD1 PHE A 223 47.139 18.136 6.123 1.00 19.73 H new ATOM 0 HD2 PHE A 223 47.467 15.294 8.966 1.00 21.77 H new ATOM 0 HE1 PHE A 223 44.828 17.891 6.170 1.00 19.71 H new ATOM 0 HE2 PHE A 223 45.153 15.064 8.998 1.00 22.23 H new ATOM 0 HZ PHE A 223 43.828 16.381 7.615 1.00 16.50 H new ATOM 789 N ASN A 224 51.729 16.963 6.013 1.00 26.14 N ATOM 790 CA ASN A 224 53.166 17.075 6.150 1.00 29.35 C ATOM 791 C ASN A 224 53.606 17.779 7.418 1.00 29.33 C ATOM 792 O ASN A 224 54.810 17.756 7.694 1.00 30.52 O ATOM 793 CB ASN A 224 53.756 17.812 4.939 1.00 33.59 C ATOM 794 CG ASN A 224 53.416 17.038 3.688 1.00 40.20 C ATOM 795 OD1 ASN A 224 52.552 17.486 2.950 1.00 45.61 O ATOM 796 ND2 ASN A 224 53.937 15.835 3.411 1.00 45.25 N ATOM 0 H ASN A 224 51.371 17.581 5.534 1.00 26.14 H new ATOM 0 HA ASN A 224 53.500 16.165 6.199 1.00 29.35 H new ATOM 0 HB2 ASN A 224 53.397 18.712 4.886 1.00 33.59 H new ATOM 0 HB3 ASN A 224 54.718 17.895 5.032 1.00 33.59 H new ATOM 0 HD21 ASN A 224 53.662 15.395 2.725 1.00 45.25 H new ATOM 0 HD22 ASN A 224 54.546 15.503 3.919 1.00 45.25 H new ATOM 800 N SER A 225 52.695 18.426 8.163 1.00 27.47 N ATOM 801 CA SER A 225 53.038 19.049 9.433 1.00 24.79 C ATOM 802 C SER A 225 51.782 19.126 10.320 1.00 23.13 C ATOM 803 O SER A 225 50.605 19.134 9.883 1.00 24.14 O ATOM 804 CB SER A 225 53.603 20.447 9.175 1.00 24.33 C ATOM 805 OG SER A 225 52.569 21.274 8.660 1.00 29.20 O ATOM 0 H SER A 225 51.869 18.511 7.940 1.00 27.47 H new ATOM 0 HA SER A 225 53.710 18.521 9.891 1.00 24.79 H new ATOM 0 HB2 SER A 225 53.955 20.823 9.997 1.00 24.33 H new ATOM 0 HB3 SER A 225 54.340 20.400 8.546 1.00 24.33 H new ATOM 0 HG SER A 225 52.871 22.045 8.517 1.00 29.20 H new ATOM 808 N LEU A 226 52.040 19.248 11.609 1.00 20.27 N ATOM 809 CA LEU A 226 51.016 19.452 12.588 1.00 18.84 C ATOM 810 C LEU A 226 50.285 20.749 12.272 1.00 23.44 C ATOM 811 O LEU A 226 49.076 20.804 12.472 1.00 28.12 O ATOM 812 CB LEU A 226 51.660 19.539 13.943 1.00 16.50 C ATOM 813 CG LEU A 226 52.167 18.239 14.460 1.00 16.90 C ATOM 814 CD1 LEU A 226 52.837 18.382 15.791 1.00 13.80 C ATOM 815 CD2 LEU A 226 50.989 17.349 14.673 1.00 14.42 C ATOM 0 H LEU A 226 52.834 19.213 11.938 1.00 20.27 H new ATOM 0 HA LEU A 226 50.382 18.718 12.578 1.00 18.84 H new ATOM 0 HB2 LEU A 226 52.397 20.168 13.900 1.00 16.50 H new ATOM 0 HB3 LEU A 226 51.016 19.898 14.574 1.00 16.50 H new ATOM 0 HG LEU A 226 52.806 17.890 13.819 1.00 16.90 H new ATOM 0 HD11 LEU A 226 53.151 17.514 16.090 1.00 13.80 H new ATOM 0 HD12 LEU A 226 53.590 18.988 15.711 1.00 13.80 H new ATOM 0 HD13 LEU A 226 52.204 18.736 16.436 1.00 13.80 H new ATOM 0 HD21 LEU A 226 51.289 16.491 15.011 1.00 14.42 H new ATOM 0 HD22 LEU A 226 50.387 17.757 15.315 1.00 14.42 H new ATOM 0 HD23 LEU A 226 50.524 17.220 13.831 1.00 14.42 H new ATOM 817 N GLN A 227 50.903 21.819 11.760 1.00 23.75 N ATOM 818 CA GLN A 227 50.220 23.060 11.449 1.00 24.68 C ATOM 819 C GLN A 227 49.156 22.876 10.380 1.00 23.92 C ATOM 820 O GLN A 227 48.057 23.429 10.456 1.00 25.64 O ATOM 821 CB GLN A 227 51.220 24.072 10.972 1.00 28.78 C ATOM 822 CG GLN A 227 52.333 24.442 11.962 1.00 38.23 C ATOM 823 CD GLN A 227 53.498 23.473 12.199 1.00 41.56 C ATOM 824 OE1 GLN A 227 53.600 22.363 11.675 1.00 42.27 O ATOM 825 NE2 GLN A 227 54.454 23.822 13.028 1.00 40.21 N ATOM 0 H GLN A 227 51.745 21.836 11.584 1.00 23.75 H new ATOM 0 HA GLN A 227 49.781 23.364 12.259 1.00 24.68 H new ATOM 0 HB2 GLN A 227 51.632 23.735 10.161 1.00 28.78 H new ATOM 0 HB3 GLN A 227 50.743 24.882 10.732 1.00 28.78 H new ATOM 0 HG2 GLN A 227 52.713 25.285 11.668 1.00 38.23 H new ATOM 0 HG3 GLN A 227 51.913 24.605 12.821 1.00 38.23 H new ATOM 0 HE21 GLN A 227 54.426 24.588 13.418 1.00 40.21 H new ATOM 0 HE22 GLN A 227 55.108 23.285 13.181 1.00 40.21 H new ATOM 829 N GLN A 228 49.501 22.049 9.390 1.00 22.39 N ATOM 830 CA GLN A 228 48.660 21.662 8.259 1.00 23.92 C ATOM 831 C GLN A 228 47.458 20.829 8.739 1.00 21.30 C ATOM 832 O GLN A 228 46.296 21.038 8.363 1.00 20.03 O ATOM 833 CB GLN A 228 49.584 20.901 7.311 1.00 31.07 C ATOM 834 CG GLN A 228 49.074 20.550 5.915 1.00 42.44 C ATOM 835 CD GLN A 228 49.987 19.627 5.083 1.00 46.02 C ATOM 836 OE1 GLN A 228 51.212 19.704 5.142 1.00 51.57 O ATOM 837 NE2 GLN A 228 49.521 18.646 4.319 1.00 44.61 N ATOM 0 H GLN A 228 50.277 21.679 9.361 1.00 22.39 H new ATOM 0 HA GLN A 228 48.268 22.423 7.803 1.00 23.92 H new ATOM 0 HB2 GLN A 228 50.393 21.425 7.205 1.00 31.07 H new ATOM 0 HB3 GLN A 228 49.837 20.073 7.748 1.00 31.07 H new ATOM 0 HG2 GLN A 228 48.206 20.126 6.003 1.00 42.44 H new ATOM 0 HG3 GLN A 228 48.938 21.374 5.421 1.00 42.44 H new ATOM 0 HE21 GLN A 228 48.673 18.534 4.233 1.00 44.61 H new ATOM 0 HE22 GLN A 228 50.068 18.122 3.911 1.00 44.61 H new ATOM 841 N LEU A 229 47.742 19.878 9.636 1.00 19.18 N ATOM 842 CA LEU A 229 46.721 19.057 10.278 1.00 19.21 C ATOM 843 C LEU A 229 45.800 20.014 11.034 1.00 18.61 C ATOM 844 O LEU A 229 44.590 19.984 10.801 1.00 19.98 O ATOM 845 CB LEU A 229 47.419 17.982 11.250 1.00 16.42 C ATOM 846 CG LEU A 229 46.590 16.865 11.905 1.00 13.00 C ATOM 847 CD1 LEU A 229 47.467 15.706 12.259 1.00 9.94 C ATOM 848 CD2 LEU A 229 45.881 17.401 13.116 1.00 10.24 C ATOM 0 H LEU A 229 48.543 19.693 9.888 1.00 19.18 H new ATOM 0 HA LEU A 229 46.203 18.549 9.635 1.00 19.21 H new ATOM 0 HB2 LEU A 229 48.125 17.553 10.742 1.00 16.42 H new ATOM 0 HB3 LEU A 229 47.846 18.478 11.966 1.00 16.42 H new ATOM 0 HG LEU A 229 45.923 16.550 11.275 1.00 13.00 H new ATOM 0 HD11 LEU A 229 46.932 15.009 12.671 1.00 9.94 H new ATOM 0 HD12 LEU A 229 47.886 15.359 11.456 1.00 9.94 H new ATOM 0 HD13 LEU A 229 48.153 15.997 12.881 1.00 9.94 H new ATOM 0 HD21 LEU A 229 45.360 16.693 13.526 1.00 10.24 H new ATOM 0 HD22 LEU A 229 46.533 17.732 13.753 1.00 10.24 H new ATOM 0 HD23 LEU A 229 45.292 18.125 12.852 1.00 10.24 H new ATOM 850 N VAL A 230 46.302 20.890 11.923 1.00 21.21 N ATOM 851 CA VAL A 230 45.452 21.844 12.658 1.00 19.47 C ATOM 852 C VAL A 230 44.598 22.651 11.726 1.00 20.59 C ATOM 853 O VAL A 230 43.447 22.912 12.018 1.00 24.18 O ATOM 854 CB VAL A 230 46.281 22.835 13.551 1.00 16.79 C ATOM 855 CG1 VAL A 230 45.462 23.998 14.059 1.00 8.35 C ATOM 856 CG2 VAL A 230 46.692 22.084 14.822 1.00 14.69 C ATOM 0 H VAL A 230 47.139 20.946 12.114 1.00 21.21 H new ATOM 0 HA VAL A 230 44.893 21.299 13.234 1.00 19.47 H new ATOM 0 HB VAL A 230 47.015 23.156 13.004 1.00 16.79 H new ATOM 0 HG11 VAL A 230 46.021 24.575 14.602 1.00 8.35 H new ATOM 0 HG12 VAL A 230 45.113 24.501 13.307 1.00 8.35 H new ATOM 0 HG13 VAL A 230 44.725 23.665 14.595 1.00 8.35 H new ATOM 0 HG21 VAL A 230 47.207 22.674 15.394 1.00 14.69 H new ATOM 0 HG22 VAL A 230 45.898 21.788 15.294 1.00 14.69 H new ATOM 0 HG23 VAL A 230 47.231 21.314 14.583 1.00 14.69 H new ATOM 858 N ALA A 231 45.072 23.000 10.549 1.00 24.71 N ATOM 859 CA ALA A 231 44.266 23.785 9.618 1.00 22.11 C ATOM 860 C ALA A 231 43.210 22.982 8.910 1.00 23.97 C ATOM 861 O ALA A 231 42.148 23.505 8.529 1.00 28.71 O ATOM 862 CB ALA A 231 45.096 24.397 8.524 1.00 20.92 C ATOM 0 H ALA A 231 45.857 22.796 10.263 1.00 24.71 H new ATOM 0 HA ALA A 231 43.859 24.458 10.186 1.00 22.11 H new ATOM 0 HB1 ALA A 231 44.524 24.908 7.930 1.00 20.92 H new ATOM 0 HB2 ALA A 231 45.763 24.984 8.913 1.00 20.92 H new ATOM 0 HB3 ALA A 231 45.538 23.695 8.021 1.00 20.92 H new ATOM 864 N TYR A 232 43.472 21.720 8.585 1.00 22.67 N ATOM 865 CA TYR A 232 42.463 20.964 7.897 1.00 21.00 C ATOM 866 C TYR A 232 41.267 20.783 8.807 1.00 21.06 C ATOM 867 O TYR A 232 40.144 21.088 8.392 1.00 23.52 O ATOM 868 CB TYR A 232 43.093 19.671 7.501 1.00 22.51 C ATOM 869 CG TYR A 232 42.132 18.711 6.833 1.00 27.15 C ATOM 870 CD1 TYR A 232 41.334 17.829 7.569 1.00 27.46 C ATOM 871 CD2 TYR A 232 42.034 18.719 5.456 1.00 31.86 C ATOM 872 CE1 TYR A 232 40.448 16.974 6.926 1.00 31.27 C ATOM 873 CE2 TYR A 232 41.151 17.859 4.804 1.00 33.93 C ATOM 874 CZ TYR A 232 40.367 17.002 5.545 1.00 32.31 C ATOM 875 OH TYR A 232 39.478 16.225 4.861 1.00 39.18 O ATOM 0 H TYR A 232 44.205 21.303 8.751 1.00 22.67 H new ATOM 0 HA TYR A 232 42.136 21.413 7.102 1.00 21.00 H new ATOM 0 HB2 TYR A 232 43.831 19.850 6.898 1.00 22.51 H new ATOM 0 HB3 TYR A 232 43.467 19.247 8.289 1.00 22.51 H new ATOM 0 HD1 TYR A 232 41.397 17.815 8.497 1.00 27.46 H new ATOM 0 HD2 TYR A 232 42.561 19.303 4.959 1.00 31.86 H new ATOM 0 HE1 TYR A 232 39.916 16.390 7.417 1.00 31.27 H new ATOM 0 HE2 TYR A 232 41.092 17.864 3.876 1.00 33.93 H new ATOM 0 HH TYR A 232 39.221 15.594 5.353 1.00 39.18 H new ATOM 878 N TYR A 233 41.478 20.331 10.034 1.00 20.03 N ATOM 879 CA TYR A 233 40.383 20.101 10.952 1.00 18.07 C ATOM 880 C TYR A 233 39.755 21.377 11.459 1.00 19.71 C ATOM 881 O TYR A 233 38.690 21.359 12.093 1.00 17.72 O ATOM 882 CB TYR A 233 40.876 19.204 12.125 1.00 16.49 C ATOM 883 CG TYR A 233 41.091 17.761 11.652 1.00 11.84 C ATOM 884 CD1 TYR A 233 40.018 16.920 11.329 1.00 11.24 C ATOM 885 CD2 TYR A 233 42.383 17.315 11.470 1.00 10.31 C ATOM 886 CE1 TYR A 233 40.237 15.648 10.806 1.00 6.74 C ATOM 887 CE2 TYR A 233 42.618 16.048 10.953 1.00 6.43 C ATOM 888 CZ TYR A 233 41.552 15.236 10.620 1.00 9.55 C ATOM 889 OH TYR A 233 41.866 14.018 10.064 1.00 11.48 O ATOM 0 H TYR A 233 42.256 20.151 10.354 1.00 20.03 H new ATOM 0 HA TYR A 233 39.680 19.643 10.465 1.00 18.07 H new ATOM 0 HB2 TYR A 233 41.705 19.559 12.483 1.00 16.49 H new ATOM 0 HB3 TYR A 233 40.226 19.220 12.845 1.00 16.49 H new ATOM 0 HD1 TYR A 233 39.147 17.215 11.466 1.00 11.24 H new ATOM 0 HD2 TYR A 233 43.099 17.864 11.694 1.00 10.31 H new ATOM 0 HE1 TYR A 233 39.525 15.091 10.588 1.00 6.74 H new ATOM 0 HE2 TYR A 233 43.490 15.748 10.832 1.00 6.43 H new ATOM 0 HH TYR A 233 41.314 13.441 10.324 1.00 11.48 H new ATOM 892 N SER A 234 40.385 22.527 11.233 1.00 21.56 N ATOM 893 CA SER A 234 39.708 23.754 11.568 1.00 23.57 C ATOM 894 C SER A 234 38.646 24.039 10.550 1.00 28.13 C ATOM 895 O SER A 234 37.707 24.780 10.856 1.00 30.35 O ATOM 896 CB SER A 234 40.670 24.897 11.594 1.00 22.59 C ATOM 897 OG SER A 234 41.522 24.763 12.737 1.00 29.06 O ATOM 0 H SER A 234 41.173 22.610 10.899 1.00 21.56 H new ATOM 0 HA SER A 234 39.310 23.652 12.447 1.00 23.57 H new ATOM 0 HB2 SER A 234 41.199 24.908 10.781 1.00 22.59 H new ATOM 0 HB3 SER A 234 40.189 25.739 11.631 1.00 22.59 H new ATOM 0 HG SER A 234 42.120 24.196 12.576 1.00 29.06 H new ATOM 900 N LYS A 235 38.790 23.450 9.358 1.00 31.88 N ATOM 901 CA LYS A 235 37.812 23.584 8.280 1.00 36.83 C ATOM 902 C LYS A 235 36.834 22.415 8.223 1.00 39.35 C ATOM 903 O LYS A 235 35.655 22.555 7.866 1.00 40.22 O ATOM 904 CB LYS A 235 38.487 23.678 6.907 1.00 38.60 C ATOM 905 CG LYS A 235 39.381 24.896 6.743 1.00 46.18 C ATOM 906 CD LYS A 235 39.888 24.979 5.316 1.00 54.67 C ATOM 907 CE LYS A 235 40.760 23.786 4.867 1.00 62.05 C ATOM 908 NZ LYS A 235 42.100 23.714 5.462 1.00 66.56 N ATOM 0 H LYS A 235 39.465 22.958 9.154 1.00 31.88 H new ATOM 0 HA LYS A 235 37.331 24.402 8.481 1.00 36.83 H new ATOM 0 HB2 LYS A 235 39.015 22.878 6.761 1.00 38.60 H new ATOM 0 HB3 LYS A 235 37.802 23.695 6.220 1.00 38.60 H new ATOM 0 HG2 LYS A 235 38.888 25.701 6.966 1.00 46.18 H new ATOM 0 HG3 LYS A 235 40.130 24.842 7.358 1.00 46.18 H new ATOM 0 HD2 LYS A 235 39.126 25.049 4.719 1.00 54.67 H new ATOM 0 HD3 LYS A 235 40.403 25.795 5.216 1.00 54.67 H new ATOM 0 HE2 LYS A 235 40.287 22.965 5.076 1.00 62.05 H new ATOM 0 HE3 LYS A 235 40.854 23.821 3.902 1.00 62.05 H new ATOM 0 HZ1 LYS A 235 42.527 22.999 5.147 1.00 66.56 H new ATOM 0 HZ2 LYS A 235 42.558 24.448 5.253 1.00 66.56 H new ATOM 0 HZ3 LYS A 235 42.029 23.650 6.347 1.00 66.56 H new ATOM 913 N HIS A 236 37.236 21.237 8.461 1.00 40.52 N ATOM 914 CA HIS A 236 36.325 20.085 8.418 1.00 39.96 C ATOM 915 C HIS A 236 36.564 19.171 9.614 1.00 36.91 C ATOM 916 O HIS A 236 37.704 18.879 9.977 1.00 40.31 O ATOM 917 CB HIS A 236 36.584 19.238 7.169 1.00 46.38 C ATOM 918 CG HIS A 236 36.691 20.042 5.875 1.00 54.94 C ATOM 919 ND1 HIS A 236 35.566 20.525 5.217 1.00 56.32 N ATOM 920 CD2 HIS A 236 37.764 20.425 5.135 1.00 57.16 C ATOM 921 CE1 HIS A 236 35.969 21.161 4.133 1.00 57.63 C ATOM 922 NE2 HIS A 236 37.277 21.110 4.069 1.00 59.06 N ATOM 0 H HIS A 236 38.049 21.039 8.659 1.00 40.52 H new ATOM 0 HA HIS A 236 35.421 20.437 8.420 1.00 39.96 H new ATOM 0 HB2 HIS A 236 37.405 18.737 7.295 1.00 46.38 H new ATOM 0 HB3 HIS A 236 35.868 18.590 7.076 1.00 46.38 H new ATOM 0 HD2 HIS A 236 38.658 20.252 5.322 1.00 57.16 H new ATOM 0 HE1 HIS A 236 35.414 21.578 3.514 1.00 57.63 H new ATOM 0 HE2 HIS A 236 37.755 21.458 3.445 1.00 59.06 H new ATOM 926 N ALA A 237 35.486 18.715 10.219 1.00 32.47 N ATOM 927 CA ALA A 237 35.586 17.802 11.371 1.00 27.17 C ATOM 928 C ALA A 237 36.123 16.425 10.910 1.00 28.56 C ATOM 929 O ALA A 237 37.017 15.842 11.535 1.00 26.86 O ATOM 930 CB ALA A 237 34.219 17.625 12.021 1.00 22.06 C ATOM 0 H ALA A 237 34.682 18.914 9.988 1.00 32.47 H new ATOM 0 HA ALA A 237 36.199 18.185 12.018 1.00 27.17 H new ATOM 0 HB1 ALA A 237 34.296 17.023 12.778 1.00 22.06 H new ATOM 0 HB2 ALA A 237 33.891 18.486 12.325 1.00 22.06 H new ATOM 0 HB3 ALA A 237 33.599 17.254 11.374 1.00 22.06 H new ATOM 932 N ASP A 238 35.540 15.939 9.822 1.00 29.36 N ATOM 933 CA ASP A 238 35.899 14.648 9.173 1.00 27.95 C ATOM 934 C ASP A 238 36.084 13.506 10.174 1.00 27.47 C ATOM 935 O ASP A 238 37.163 12.894 10.261 1.00 31.68 O ATOM 936 CB ASP A 238 37.203 14.770 8.394 1.00 30.91 C ATOM 937 CG ASP A 238 37.246 13.823 7.199 1.00 34.47 C ATOM 938 OD1 ASP A 238 36.236 13.064 6.947 1.00 48.13 O ATOM 939 OD2 ASP A 238 38.286 13.787 6.445 1.00 29.37 O ATOM 0 H ASP A 238 34.904 16.352 9.417 1.00 29.36 H new ATOM 0 HA ASP A 238 35.154 14.445 8.586 1.00 27.95 H new ATOM 0 HB2 ASP A 238 37.310 15.683 8.086 1.00 30.91 H new ATOM 0 HB3 ASP A 238 37.950 14.580 8.983 1.00 30.91 H new ATOM 941 N GLY A 239 35.019 13.243 10.888 1.00 25.99 N ATOM 942 CA GLY A 239 34.991 12.171 11.878 1.00 23.01 C ATOM 943 C GLY A 239 35.291 12.723 13.263 1.00 22.51 C ATOM 944 O GLY A 239 34.934 12.102 14.269 1.00 24.86 O ATOM 0 H GLY A 239 34.280 13.678 10.820 1.00 25.99 H new ATOM 0 HA2 GLY A 239 34.121 11.743 11.875 1.00 23.01 H new ATOM 0 HA3 GLY A 239 35.643 11.491 11.646 1.00 23.01 H new ATOM 946 N LEU A 240 35.985 13.899 13.469 1.00 21.63 N ATOM 947 CA LEU A 240 36.244 14.371 14.825 1.00 19.55 C ATOM 948 C LEU A 240 34.972 14.806 15.469 1.00 19.82 C ATOM 949 O LEU A 240 34.068 15.129 14.731 1.00 23.10 O ATOM 950 CB LEU A 240 37.189 15.543 14.831 1.00 14.36 C ATOM 951 CG LEU A 240 38.555 15.340 14.215 1.00 14.90 C ATOM 952 CD1 LEU A 240 39.374 16.505 14.670 1.00 13.89 C ATOM 953 CD2 LEU A 240 39.254 14.095 14.668 1.00 12.21 C ATOM 0 H LEU A 240 36.293 14.402 12.843 1.00 21.63 H new ATOM 0 HA LEU A 240 36.642 13.633 15.313 1.00 19.55 H new ATOM 0 HB2 LEU A 240 36.758 16.278 14.368 1.00 14.36 H new ATOM 0 HB3 LEU A 240 37.314 15.822 15.751 1.00 14.36 H new ATOM 0 HG LEU A 240 38.450 15.262 13.254 1.00 14.90 H new ATOM 0 HD11 LEU A 240 40.270 16.433 14.305 1.00 13.89 H new ATOM 0 HD12 LEU A 240 38.965 17.329 14.362 1.00 13.89 H new ATOM 0 HD13 LEU A 240 39.419 16.510 15.639 1.00 13.89 H new ATOM 0 HD21 LEU A 240 40.119 14.033 14.233 1.00 12.21 H new ATOM 0 HD22 LEU A 240 39.377 14.125 15.630 1.00 12.21 H new ATOM 0 HD23 LEU A 240 38.719 13.320 14.435 1.00 12.21 H new ATOM 955 N CYS A 241 34.846 14.884 16.782 1.00 19.99 N ATOM 956 CA CYS A 241 33.609 15.261 17.420 1.00 18.72 C ATOM 957 C CYS A 241 33.202 16.676 17.022 1.00 21.56 C ATOM 958 O CYS A 241 32.016 16.984 16.967 1.00 21.88 O ATOM 959 CB CYS A 241 33.778 15.166 18.923 1.00 22.05 C ATOM 960 SG CYS A 241 34.986 16.353 19.609 1.00 23.94 S ATOM 0 H CYS A 241 35.486 14.717 17.331 1.00 19.99 H new ATOM 0 HA CYS A 241 32.907 14.657 17.132 1.00 18.72 H new ATOM 0 HB2 CYS A 241 32.918 15.313 19.346 1.00 22.05 H new ATOM 0 HB3 CYS A 241 34.057 14.266 19.152 1.00 22.05 H new ATOM 0 HG CYS A 241 35.056 16.211 20.799 1.00 23.94 H new ATOM 962 N HIS A 242 34.102 17.604 16.717 1.00 19.86 N ATOM 963 CA HIS A 242 33.707 18.942 16.347 1.00 21.15 C ATOM 964 C HIS A 242 34.923 19.486 15.648 1.00 23.12 C ATOM 965 O HIS A 242 36.038 19.042 15.873 1.00 24.78 O ATOM 966 CB HIS A 242 33.370 19.782 17.629 1.00 21.95 C ATOM 967 CG HIS A 242 32.704 21.137 17.378 1.00 24.60 C ATOM 968 ND1 HIS A 242 33.374 22.288 17.053 1.00 25.27 N flip ATOM 969 CD2 HIS A 242 31.409 21.458 17.361 1.00 27.05 C flip ATOM 970 CE1 HIS A 242 32.479 23.211 16.840 1.00 25.22 C flip ATOM 971 NE2 HIS A 242 31.282 22.724 17.042 1.00 28.67 N flip ATOM 0 H HIS A 242 34.952 17.471 16.720 1.00 19.86 H new ATOM 0 HA HIS A 242 32.913 18.970 15.790 1.00 21.15 H new ATOM 0 HB2 HIS A 242 32.788 19.254 18.198 1.00 21.95 H new ATOM 0 HB3 HIS A 242 34.191 19.930 18.124 1.00 21.95 H new ATOM 0 HD1 HIS A 242 34.227 22.383 17.000 1.00 25.27 H new ATOM 0 HD2 HIS A 242 30.707 20.876 17.546 1.00 27.05 H new ATOM 0 HE1 HIS A 242 32.664 24.085 16.583 1.00 25.22 H new ATOM 975 N ARG A 243 34.667 20.450 14.782 1.00 26.38 N ATOM 976 CA ARG A 243 35.637 21.256 14.038 1.00 26.02 C ATOM 977 C ARG A 243 36.431 22.025 15.090 1.00 23.83 C ATOM 978 O ARG A 243 35.842 22.532 16.054 1.00 22.37 O ATOM 979 CB ARG A 243 34.893 22.252 13.181 1.00 33.61 C ATOM 980 CG ARG A 243 35.499 22.696 11.866 1.00 46.88 C ATOM 981 CD ARG A 243 34.756 23.923 11.303 1.00 56.44 C ATOM 982 NE ARG A 243 35.211 25.137 11.991 1.00 70.56 N ATOM 983 CZ ARG A 243 34.424 25.875 12.804 1.00 76.05 C ATOM 984 NH1 ARG A 243 33.137 25.489 12.998 1.00 79.59 N ATOM 985 NH2 ARG A 243 34.980 26.877 13.546 1.00 78.46 N ATOM 0 H ARG A 243 33.858 20.673 14.594 1.00 26.38 H new ATOM 0 HA ARG A 243 36.205 20.708 13.474 1.00 26.02 H new ATOM 0 HB2 ARG A 243 34.020 21.876 12.988 1.00 33.61 H new ATOM 0 HB3 ARG A 243 34.747 23.047 13.718 1.00 33.61 H new ATOM 0 HG2 ARG A 243 36.436 22.912 11.994 1.00 46.88 H new ATOM 0 HG3 ARG A 243 35.460 21.968 11.226 1.00 46.88 H new ATOM 0 HD2 ARG A 243 34.918 24.001 10.350 1.00 56.44 H new ATOM 0 HD3 ARG A 243 33.799 23.814 11.420 1.00 56.44 H new ATOM 0 HE ARG A 243 36.023 25.393 11.870 1.00 70.56 H new ATOM 0 HH11 ARG A 243 32.835 24.785 12.606 1.00 79.59 H new ATOM 0 HH12 ARG A 243 32.623 25.948 13.513 1.00 79.59 H new ATOM 0 HH21 ARG A 243 35.824 27.034 13.493 1.00 78.46 H new ATOM 0 HH22 ARG A 243 34.486 27.352 14.066 1.00 78.46 H new ATOM 992 N LEU A 244 37.722 22.194 14.872 1.00 21.23 N ATOM 993 CA LEU A 244 38.557 22.863 15.805 1.00 20.44 C ATOM 994 C LEU A 244 38.110 24.296 15.680 1.00 23.08 C ATOM 995 O LEU A 244 38.210 24.819 14.578 1.00 26.59 O ATOM 996 CB LEU A 244 40.006 22.713 15.390 1.00 15.11 C ATOM 997 CG LEU A 244 40.554 21.320 15.236 1.00 10.72 C ATOM 998 CD1 LEU A 244 42.038 21.324 14.946 1.00 6.16 C ATOM 999 CD2 LEU A 244 40.230 20.580 16.499 1.00 3.08 C ATOM 0 H LEU A 244 38.129 21.916 14.167 1.00 21.23 H new ATOM 0 HA LEU A 244 38.493 22.523 16.711 1.00 20.44 H new ATOM 0 HB2 LEU A 244 40.123 23.174 14.544 1.00 15.11 H new ATOM 0 HB3 LEU A 244 40.552 23.177 16.044 1.00 15.11 H new ATOM 0 HG LEU A 244 40.148 20.880 14.473 1.00 10.72 H new ATOM 0 HD11 LEU A 244 42.352 20.411 14.854 1.00 6.16 H new ATOM 0 HD12 LEU A 244 42.206 21.808 14.122 1.00 6.16 H new ATOM 0 HD13 LEU A 244 42.509 21.756 15.676 1.00 6.16 H new ATOM 0 HD21 LEU A 244 40.568 19.673 16.439 1.00 3.08 H new ATOM 0 HD22 LEU A 244 40.643 21.029 17.253 1.00 3.08 H new ATOM 0 HD23 LEU A 244 39.268 20.558 16.624 1.00 3.08 H new ATOM 1001 N THR A 245 37.504 24.937 16.671 1.00 24.37 N ATOM 1002 CA THR A 245 37.168 26.337 16.526 1.00 24.98 C ATOM 1003 C THR A 245 38.260 27.229 17.147 1.00 29.07 C ATOM 1004 O THR A 245 39.047 27.858 16.423 1.00 33.52 O ATOM 1005 CB THR A 245 35.791 26.577 17.176 1.00 20.51 C ATOM 1006 OG1 THR A 245 35.844 26.186 18.534 1.00 21.36 O ATOM 1007 CG2 THR A 245 34.729 25.743 16.562 1.00 20.61 C ATOM 0 H THR A 245 37.283 24.583 17.423 1.00 24.37 H new ATOM 0 HA THR A 245 37.120 26.574 15.587 1.00 24.98 H new ATOM 0 HB THR A 245 35.588 27.518 17.058 1.00 20.51 H new ATOM 0 HG1 THR A 245 35.194 25.683 18.706 1.00 21.36 H new ATOM 0 HG21 THR A 245 33.882 25.924 16.999 1.00 20.61 H new ATOM 0 HG22 THR A 245 34.657 25.954 15.618 1.00 20.61 H new ATOM 0 HG23 THR A 245 34.952 24.805 16.667 1.00 20.61 H new ATOM 1010 N THR A 246 38.395 27.125 18.477 1.00 27.35 N ATOM 1011 CA THR A 246 39.217 27.946 19.375 1.00 25.91 C ATOM 1012 C THR A 246 40.557 27.400 19.899 1.00 23.91 C ATOM 1013 O THR A 246 40.494 26.320 20.478 1.00 24.94 O ATOM 1014 CB THR A 246 38.309 28.260 20.579 1.00 28.30 C ATOM 1015 OG1 THR A 246 37.005 28.529 20.067 1.00 30.66 O ATOM 1016 CG2 THR A 246 38.848 29.386 21.436 1.00 29.08 C ATOM 0 H THR A 246 37.969 26.518 18.913 1.00 27.35 H new ATOM 0 HA THR A 246 39.511 28.696 18.835 1.00 25.91 H new ATOM 0 HB THR A 246 38.276 27.499 21.179 1.00 28.30 H new ATOM 0 HG1 THR A 246 36.775 29.308 20.282 1.00 30.66 H new ATOM 0 HG21 THR A 246 38.244 29.546 22.178 1.00 29.08 H new ATOM 0 HG22 THR A 246 39.722 29.143 21.778 1.00 29.08 H new ATOM 0 HG23 THR A 246 38.923 30.192 20.902 1.00 29.08 H new ATOM 1019 N VAL A 247 41.749 28.006 19.849 1.00 23.69 N ATOM 1020 CA VAL A 247 42.944 27.448 20.470 1.00 19.80 C ATOM 1021 C VAL A 247 42.800 27.537 21.982 1.00 23.00 C ATOM 1022 O VAL A 247 42.442 28.602 22.478 1.00 26.21 O ATOM 1023 CB VAL A 247 44.174 28.220 20.081 1.00 14.71 C ATOM 1024 CG1 VAL A 247 45.338 27.757 20.892 1.00 11.98 C ATOM 1025 CG2 VAL A 247 44.517 27.929 18.662 1.00 14.39 C ATOM 0 H VAL A 247 41.882 28.756 19.450 1.00 23.69 H new ATOM 0 HA VAL A 247 43.037 26.529 20.173 1.00 19.80 H new ATOM 0 HB VAL A 247 43.996 29.163 20.221 1.00 14.71 H new ATOM 0 HG11 VAL A 247 46.129 28.257 20.638 1.00 11.98 H new ATOM 0 HG12 VAL A 247 45.154 27.900 21.834 1.00 11.98 H new ATOM 0 HG13 VAL A 247 45.489 26.812 20.732 1.00 11.98 H new ATOM 0 HG21 VAL A 247 45.311 28.428 18.412 1.00 14.39 H new ATOM 0 HG22 VAL A 247 44.686 26.980 18.558 1.00 14.39 H new ATOM 0 HG23 VAL A 247 43.778 28.190 18.090 1.00 14.39 H new ATOM 1027 N CYS A 248 43.046 26.485 22.734 1.00 22.39 N ATOM 1028 CA CYS A 248 42.944 26.545 24.170 1.00 24.03 C ATOM 1029 C CYS A 248 43.777 27.695 24.737 1.00 28.46 C ATOM 1030 O CYS A 248 44.947 27.817 24.349 1.00 29.81 O ATOM 1031 CB CYS A 248 43.454 25.270 24.749 1.00 22.91 C ATOM 1032 SG CYS A 248 43.168 25.155 26.527 1.00 21.80 S ATOM 0 H CYS A 248 43.277 25.716 22.425 1.00 22.39 H new ATOM 0 HA CYS A 248 42.012 26.686 24.401 1.00 24.03 H new ATOM 0 HB2 CYS A 248 43.023 24.522 24.306 1.00 22.91 H new ATOM 0 HB3 CYS A 248 44.405 25.195 24.572 1.00 22.91 H new ATOM 0 HG CYS A 248 42.836 24.036 26.808 1.00 21.80 H new ATOM 1034 N PRO A 249 43.216 28.596 25.557 1.00 31.07 N ATOM 1035 CA PRO A 249 43.966 29.708 26.154 1.00 31.25 C ATOM 1036 C PRO A 249 45.205 29.338 26.978 1.00 31.35 C ATOM 1037 O PRO A 249 45.145 28.410 27.777 1.00 30.23 O ATOM 1038 CB PRO A 249 42.873 30.467 26.939 1.00 30.73 C ATOM 1039 CG PRO A 249 41.698 29.516 27.115 1.00 28.22 C ATOM 1040 CD PRO A 249 41.768 28.790 25.771 1.00 29.20 C ATOM 1041 OXT PRO A 249 46.240 29.981 26.800 1.00 34.08 O ATOM 0 HA PRO A 249 44.402 30.247 25.475 1.00 31.25 H new ATOM 0 HB2 PRO A 249 43.210 30.757 27.801 1.00 30.73 H new ATOM 0 HB3 PRO A 249 42.599 31.264 26.459 1.00 30.73 H new ATOM 0 HG2 PRO A 249 41.811 28.917 27.870 1.00 28.22 H new ATOM 0 HG3 PRO A 249 40.857 29.981 27.246 1.00 28.22 H new ATOM 0 HD2 PRO A 249 41.295 27.944 25.797 1.00 29.20 H new ATOM 0 HD3 PRO A 249 41.369 29.316 25.060 1.00 29.20 H new TER 1042 PRO A 249 ATOM 1043 N ILE B 146 30.510 13.522 37.872 1.00 66.45 N ATOM 1044 CA ILE B 146 31.714 12.748 38.139 1.00 66.21 C ATOM 1045 C ILE B 146 32.780 13.074 37.102 1.00 67.73 C ATOM 1046 O ILE B 146 33.946 13.090 37.469 1.00 67.73 O ATOM 1047 CB ILE B 146 31.391 11.209 38.126 1.00 62.86 C ATOM 1048 CG1 ILE B 146 32.558 10.489 38.752 1.00 61.07 C ATOM 1049 CG2 ILE B 146 31.079 10.703 36.713 1.00 62.30 C ATOM 1050 CD1 ILE B 146 32.432 8.995 38.549 1.00 59.30 C ATOM 0 HA ILE B 146 32.049 12.983 39.019 1.00 66.21 H new ATOM 0 HB ILE B 146 30.588 11.032 38.641 1.00 62.86 H new ATOM 0 HG12 ILE B 146 33.387 10.805 38.360 1.00 61.07 H new ATOM 0 HG13 ILE B 146 32.597 10.690 39.700 1.00 61.07 H new ATOM 0 HG21 ILE B 146 30.885 9.753 36.745 1.00 62.30 H new ATOM 0 HG22 ILE B 146 30.310 11.178 36.362 1.00 62.30 H new ATOM 0 HG23 ILE B 146 31.844 10.858 36.137 1.00 62.30 H new ATOM 0 HD11 ILE B 146 33.190 8.548 38.957 1.00 59.30 H new ATOM 0 HD12 ILE B 146 31.612 8.680 38.960 1.00 59.30 H new ATOM 0 HD13 ILE B 146 32.414 8.798 37.599 1.00 59.30 H new ATOM 1051 N GLN B 147 32.439 13.445 35.850 1.00 68.42 N ATOM 1052 CA GLN B 147 33.434 13.724 34.808 1.00 67.81 C ATOM 1053 C GLN B 147 34.414 14.855 35.165 1.00 65.63 C ATOM 1054 O GLN B 147 35.482 14.970 34.555 1.00 64.83 O ATOM 1055 CB GLN B 147 32.668 14.045 33.499 1.00 66.04 C ATOM 0 H GLN B 147 31.625 13.540 35.589 1.00 68.42 H new ATOM 0 HA GLN B 147 33.993 12.938 34.706 1.00 67.81 H new ATOM 1057 N ALA B 148 33.964 15.637 36.184 1.00 62.67 N ATOM 1058 CA ALA B 148 34.661 16.767 36.769 1.00 57.69 C ATOM 1059 C ALA B 148 35.377 16.480 38.098 1.00 51.00 C ATOM 1060 O ALA B 148 35.828 17.399 38.768 1.00 52.37 O ATOM 1061 CB ALA B 148 33.659 17.924 36.942 1.00 59.83 C ATOM 0 H ALA B 148 33.202 15.497 36.557 1.00 62.67 H new ATOM 0 HA ALA B 148 35.374 16.997 36.153 1.00 57.69 H new ATOM 0 HB1 ALA B 148 34.111 18.688 37.333 1.00 59.83 H new ATOM 0 HB2 ALA B 148 33.297 18.171 36.077 1.00 59.83 H new ATOM 0 HB3 ALA B 148 32.937 17.643 37.526 1.00 59.83 H new ATOM 1063 N GLU B 149 35.522 15.240 38.536 1.00 42.32 N ATOM 1064 CA GLU B 149 36.308 14.897 39.705 1.00 33.85 C ATOM 1065 C GLU B 149 37.751 14.834 39.319 1.00 29.41 C ATOM 1066 O GLU B 149 38.039 14.170 38.340 1.00 26.07 O ATOM 1067 CB GLU B 149 35.976 13.553 40.214 1.00 37.13 C ATOM 1068 CG GLU B 149 34.658 13.613 40.870 1.00 38.38 C ATOM 1069 CD GLU B 149 34.726 14.245 42.229 1.00 44.46 C ATOM 1070 OE1 GLU B 149 35.745 14.771 42.682 1.00 47.74 O ATOM 1071 OE2 GLU B 149 33.691 14.155 42.854 1.00 51.31 O ATOM 0 H GLU B 149 35.158 14.561 38.153 1.00 42.32 H new ATOM 0 HA GLU B 149 36.122 15.569 40.379 1.00 33.85 H new ATOM 0 HB2 GLU B 149 35.961 12.911 39.487 1.00 37.13 H new ATOM 0 HB3 GLU B 149 36.652 13.254 40.842 1.00 37.13 H new ATOM 0 HG2 GLU B 149 34.044 14.116 40.312 1.00 38.38 H new ATOM 0 HG3 GLU B 149 34.298 12.716 40.951 1.00 38.38 H new ATOM 1073 N GLU B 150 38.741 15.378 39.988 1.00 28.13 N ATOM 1074 CA GLU B 150 40.134 15.312 39.540 1.00 29.84 C ATOM 1075 C GLU B 150 40.644 13.918 39.295 1.00 27.72 C ATOM 1076 O GLU B 150 41.405 13.680 38.372 1.00 29.01 O ATOM 1077 CB GLU B 150 41.136 15.892 40.542 1.00 39.49 C ATOM 1078 CG GLU B 150 41.161 17.418 40.733 1.00 54.40 C ATOM 1079 CD GLU B 150 41.959 18.276 39.739 1.00 64.91 C ATOM 1080 OE1 GLU B 150 42.518 17.764 38.754 1.00 68.59 O ATOM 1081 OE2 GLU B 150 42.111 19.471 40.010 1.00 72.80 O ATOM 0 H GLU B 150 38.634 15.805 40.727 1.00 28.13 H new ATOM 0 HA GLU B 150 40.090 15.829 38.720 1.00 29.84 H new ATOM 0 HB2 GLU B 150 40.962 15.487 41.406 1.00 39.49 H new ATOM 0 HB3 GLU B 150 42.024 15.611 40.271 1.00 39.49 H new ATOM 0 HG2 GLU B 150 40.243 17.731 40.720 1.00 54.40 H new ATOM 0 HG3 GLU B 150 41.509 17.597 41.621 1.00 54.40 H new ATOM 1083 N TRP B 151 40.264 12.994 40.177 1.00 23.94 N ATOM 1084 CA TRP B 151 40.685 11.604 40.132 1.00 19.44 C ATOM 1085 C TRP B 151 39.969 10.707 39.143 1.00 19.69 C ATOM 1086 O TRP B 151 40.410 9.575 38.961 1.00 21.92 O ATOM 1087 CB TRP B 151 40.577 11.018 41.545 1.00 13.52 C ATOM 1088 CG TRP B 151 39.286 11.282 42.320 1.00 12.84 C ATOM 1089 CD1 TRP B 151 39.320 12.130 43.394 1.00 8.63 C ATOM 1090 CD2 TRP B 151 38.029 10.739 42.101 1.00 10.21 C ATOM 1091 NE1 TRP B 151 38.090 12.127 43.858 1.00 11.89 N ATOM 1092 CE2 TRP B 151 37.296 11.343 43.123 1.00 10.30 C ATOM 1093 CE3 TRP B 151 37.396 9.878 41.189 1.00 9.10 C ATOM 1094 CZ2 TRP B 151 35.946 11.054 43.282 1.00 13.44 C ATOM 1095 CZ3 TRP B 151 36.043 9.589 41.337 1.00 9.51 C ATOM 1096 CH2 TRP B 151 35.314 10.195 42.358 1.00 15.14 C ATOM 0 H TRP B 151 39.739 13.168 40.835 1.00 23.94 H new ATOM 0 HA TRP B 151 41.598 11.623 39.804 1.00 19.44 H new ATOM 0 HB2 TRP B 151 40.697 10.058 41.481 1.00 13.52 H new ATOM 0 HB3 TRP B 151 41.317 11.362 42.069 1.00 13.52 H new ATOM 0 HD1 TRP B 151 40.050 12.603 43.722 1.00 8.63 H new ATOM 0 HE1 TRP B 151 37.830 12.572 44.546 1.00 11.89 H new ATOM 0 HE3 TRP B 151 37.880 9.503 40.489 1.00 9.10 H new ATOM 0 HZ2 TRP B 151 35.465 11.422 43.988 1.00 13.44 H new ATOM 0 HZ3 TRP B 151 35.627 8.993 40.756 1.00 9.51 H new ATOM 0 HH2 TRP B 151 34.401 10.032 42.431 1.00 15.14 H new ATOM 1099 N TYR B 152 38.904 11.131 38.468 1.00 19.88 N ATOM 1100 CA TYR B 152 38.136 10.275 37.583 1.00 19.47 C ATOM 1101 C TYR B 152 38.649 10.425 36.187 1.00 18.34 C ATOM 1102 O TYR B 152 38.484 11.482 35.594 1.00 20.39 O ATOM 1103 CB TYR B 152 36.646 10.669 37.673 1.00 24.01 C ATOM 1104 CG TYR B 152 35.741 9.749 36.877 1.00 29.65 C ATOM 1105 CD1 TYR B 152 35.585 8.400 37.203 1.00 28.46 C ATOM 1106 CD2 TYR B 152 35.127 10.257 35.742 1.00 31.63 C ATOM 1107 CE1 TYR B 152 34.848 7.547 36.386 1.00 27.28 C ATOM 1108 CE2 TYR B 152 34.392 9.396 34.927 1.00 33.69 C ATOM 1109 CZ TYR B 152 34.266 8.051 35.243 1.00 30.56 C ATOM 1110 OH TYR B 152 33.618 7.259 34.322 1.00 36.32 O ATOM 0 H TYR B 152 38.606 11.937 38.515 1.00 19.88 H new ATOM 0 HA TYR B 152 38.227 9.345 37.844 1.00 19.47 H new ATOM 0 HB2 TYR B 152 36.370 10.661 38.603 1.00 24.01 H new ATOM 0 HB3 TYR B 152 36.537 11.578 37.353 1.00 24.01 H new ATOM 0 HD1 TYR B 152 35.979 8.067 37.977 1.00 28.46 H new ATOM 0 HD2 TYR B 152 35.204 11.159 35.527 1.00 31.63 H new ATOM 0 HE1 TYR B 152 34.750 6.649 36.609 1.00 27.28 H new ATOM 0 HE2 TYR B 152 33.981 9.728 34.162 1.00 33.69 H new ATOM 0 HH TYR B 152 33.328 7.737 33.695 1.00 36.32 H new ATOM 1113 N PHE B 153 39.289 9.394 35.653 1.00 18.67 N ATOM 1114 CA PHE B 153 39.870 9.435 34.328 1.00 16.56 C ATOM 1115 C PHE B 153 38.973 8.841 33.261 1.00 16.80 C ATOM 1116 O PHE B 153 39.390 8.647 32.136 1.00 20.06 O ATOM 1117 CB PHE B 153 41.225 8.710 34.342 1.00 12.20 C ATOM 1118 CG PHE B 153 42.441 9.504 34.824 1.00 15.21 C ATOM 1119 CD1 PHE B 153 42.412 10.235 36.010 1.00 13.25 C ATOM 1120 CD2 PHE B 153 43.596 9.550 34.029 1.00 12.31 C ATOM 1121 CE1 PHE B 153 43.522 11.011 36.383 1.00 12.85 C ATOM 1122 CE2 PHE B 153 44.698 10.321 34.402 1.00 11.14 C ATOM 1123 CZ PHE B 153 44.660 11.056 35.584 1.00 12.33 C ATOM 0 H PHE B 153 39.398 8.643 36.058 1.00 18.67 H new ATOM 0 HA PHE B 153 39.987 10.370 34.097 1.00 16.56 H new ATOM 0 HB2 PHE B 153 41.139 7.923 34.903 1.00 12.20 H new ATOM 0 HB3 PHE B 153 41.408 8.398 33.442 1.00 12.20 H new ATOM 0 HD1 PHE B 153 41.658 10.209 36.554 1.00 13.25 H new ATOM 0 HD2 PHE B 153 43.628 9.058 33.240 1.00 12.31 H new ATOM 0 HE1 PHE B 153 43.496 11.500 37.173 1.00 12.85 H new ATOM 0 HE2 PHE B 153 45.455 10.344 33.863 1.00 11.14 H new ATOM 0 HZ PHE B 153 45.390 11.573 35.838 1.00 12.33 H new ATOM 1125 N GLY B 154 37.757 8.453 33.579 1.00 19.76 N ATOM 1126 CA GLY B 154 36.813 7.953 32.598 1.00 20.58 C ATOM 1127 C GLY B 154 37.152 6.619 31.985 1.00 20.95 C ATOM 1128 O GLY B 154 37.615 5.717 32.665 1.00 22.14 O ATOM 0 H GLY B 154 37.449 8.472 34.382 1.00 19.76 H new ATOM 0 HA2 GLY B 154 35.941 7.885 33.018 1.00 20.58 H new ATOM 0 HA3 GLY B 154 36.735 8.607 31.886 1.00 20.58 H new ATOM 1130 N LYS B 155 37.013 6.538 30.682 1.00 23.13 N ATOM 1131 CA LYS B 155 37.214 5.323 29.917 1.00 26.32 C ATOM 1132 C LYS B 155 38.616 4.945 29.457 1.00 26.61 C ATOM 1133 O LYS B 155 38.785 4.510 28.331 1.00 31.40 O ATOM 1134 CB LYS B 155 36.309 5.377 28.676 1.00 29.22 C ATOM 0 H LYS B 155 36.791 7.212 30.196 1.00 23.13 H new ATOM 0 HA LYS B 155 37.000 4.630 30.562 1.00 26.32 H new ATOM 1136 N ILE B 156 39.681 5.163 30.182 1.00 27.28 N ATOM 1137 CA ILE B 156 40.994 4.712 29.747 1.00 26.64 C ATOM 1138 C ILE B 156 41.107 3.189 29.903 1.00 29.03 C ATOM 1139 O ILE B 156 40.422 2.624 30.728 1.00 31.90 O ATOM 1140 CB ILE B 156 42.053 5.475 30.596 1.00 26.75 C ATOM 1141 CG1 ILE B 156 41.961 5.234 32.099 1.00 23.14 C ATOM 1142 CG2 ILE B 156 41.799 6.981 30.324 1.00 28.98 C ATOM 1143 CD1 ILE B 156 43.034 5.942 32.906 1.00 21.10 C ATOM 0 H ILE B 156 39.675 5.573 30.938 1.00 27.28 H new ATOM 0 HA ILE B 156 41.142 4.903 28.807 1.00 26.64 H new ATOM 0 HB ILE B 156 42.934 5.161 30.338 1.00 26.75 H new ATOM 0 HG12 ILE B 156 41.090 5.525 32.411 1.00 23.14 H new ATOM 0 HG13 ILE B 156 42.019 4.281 32.268 1.00 23.14 H new ATOM 0 HG21 ILE B 156 42.433 7.513 30.830 1.00 28.98 H new ATOM 0 HG22 ILE B 156 41.908 7.162 29.377 1.00 28.98 H new ATOM 0 HG23 ILE B 156 40.896 7.211 30.595 1.00 28.98 H new ATOM 0 HD11 ILE B 156 42.914 5.744 33.848 1.00 21.10 H new ATOM 0 HD12 ILE B 156 43.909 5.635 32.621 1.00 21.10 H new ATOM 0 HD13 ILE B 156 42.966 6.899 32.766 1.00 21.10 H new ATOM 1145 N THR B 157 42.004 2.513 29.199 1.00 28.19 N ATOM 1146 CA THR B 157 42.106 1.068 29.403 1.00 25.35 C ATOM 1147 C THR B 157 42.954 0.702 30.590 1.00 25.50 C ATOM 1148 O THR B 157 43.558 1.594 31.186 1.00 28.03 O ATOM 1149 CB THR B 157 42.728 0.533 28.093 1.00 26.50 C ATOM 1150 OG1 THR B 157 44.072 1.009 27.960 1.00 30.59 O ATOM 1151 CG2 THR B 157 41.867 0.951 26.930 1.00 27.08 C ATOM 0 H THR B 157 42.544 2.850 28.621 1.00 28.19 H new ATOM 0 HA THR B 157 41.237 0.682 29.595 1.00 25.35 H new ATOM 0 HB THR B 157 42.764 -0.436 28.111 1.00 26.50 H new ATOM 0 HG1 THR B 157 44.405 0.714 27.247 1.00 30.59 H new ATOM 0 HG21 THR B 157 42.253 0.618 26.105 1.00 27.08 H new ATOM 0 HG22 THR B 157 40.975 0.586 27.040 1.00 27.08 H new ATOM 0 HG23 THR B 157 41.818 1.919 26.895 1.00 27.08 H new ATOM 1154 N ARG B 158 43.043 -0.587 30.914 1.00 25.07 N ATOM 1155 CA ARG B 158 43.965 -1.002 31.966 1.00 25.91 C ATOM 1156 C ARG B 158 45.436 -0.684 31.621 1.00 26.49 C ATOM 1157 O ARG B 158 46.198 -0.248 32.497 1.00 26.51 O ATOM 1158 CB ARG B 158 43.883 -2.567 32.252 1.00 24.09 C ATOM 1159 CG ARG B 158 45.084 -3.109 33.046 1.00 26.70 C ATOM 1160 CD ARG B 158 45.074 -4.594 33.227 1.00 34.56 C ATOM 1161 NE ARG B 158 43.984 -4.975 34.089 1.00 39.32 N ATOM 1162 CZ ARG B 158 44.246 -5.612 35.239 1.00 43.40 C ATOM 1163 NH1 ARG B 158 45.503 -5.943 35.621 1.00 42.99 N ATOM 1164 NH2 ARG B 158 43.223 -5.770 36.111 1.00 47.57 N ATOM 0 H ARG B 158 42.591 -1.221 30.548 1.00 25.07 H new ATOM 0 HA ARG B 158 43.690 -0.499 32.748 1.00 25.91 H new ATOM 0 HB2 ARG B 158 43.068 -2.757 32.742 1.00 24.09 H new ATOM 0 HB3 ARG B 158 43.823 -3.040 31.407 1.00 24.09 H new ATOM 0 HG2 ARG B 158 45.902 -2.853 32.592 1.00 26.70 H new ATOM 0 HG3 ARG B 158 45.100 -2.686 33.919 1.00 26.70 H new ATOM 0 HD2 ARG B 158 44.985 -5.032 32.366 1.00 34.56 H new ATOM 0 HD3 ARG B 158 45.916 -4.887 33.608 1.00 34.56 H new ATOM 0 HE ARG B 158 43.173 -4.795 33.868 1.00 39.32 H new ATOM 0 HH11 ARG B 158 46.172 -5.744 35.118 1.00 42.99 H new ATOM 0 HH12 ARG B 158 45.632 -6.352 36.367 1.00 42.99 H new ATOM 0 HH21 ARG B 158 42.442 -5.467 35.917 1.00 47.57 H new ATOM 0 HH22 ARG B 158 43.354 -6.174 36.859 1.00 47.57 H new ATOM 1171 N ARG B 159 45.861 -0.773 30.351 1.00 28.16 N ATOM 1172 CA ARG B 159 47.253 -0.519 29.940 1.00 25.86 C ATOM 1173 C ARG B 159 47.573 0.974 30.081 1.00 24.99 C ATOM 1174 O ARG B 159 48.634 1.427 30.524 1.00 23.90 O ATOM 1175 CB ARG B 159 47.449 -0.902 28.464 1.00 29.43 C ATOM 0 H ARG B 159 45.343 -0.985 29.698 1.00 28.16 H new ATOM 0 HA ARG B 159 47.837 -1.049 30.505 1.00 25.86 H new ATOM 1177 N GLU B 160 46.592 1.778 29.695 1.00 25.08 N ATOM 1178 CA GLU B 160 46.741 3.192 29.810 1.00 27.84 C ATOM 1179 C GLU B 160 46.959 3.587 31.240 1.00 26.98 C ATOM 1180 O GLU B 160 47.994 4.224 31.450 1.00 24.65 O ATOM 1181 CB GLU B 160 45.527 3.802 29.237 1.00 31.65 C ATOM 1182 CG GLU B 160 45.925 3.679 27.785 1.00 40.99 C ATOM 1183 CD GLU B 160 44.929 4.028 26.731 1.00 49.65 C ATOM 1184 OE1 GLU B 160 43.810 4.378 27.086 1.00 53.70 O ATOM 1185 OE2 GLU B 160 45.303 3.906 25.573 1.00 54.87 O ATOM 0 H GLU B 160 45.842 1.514 29.368 1.00 25.08 H new ATOM 0 HA GLU B 160 47.521 3.505 29.327 1.00 27.84 H new ATOM 0 HB2 GLU B 160 44.716 3.315 29.453 1.00 31.65 H new ATOM 0 HB3 GLU B 160 45.391 4.720 29.519 1.00 31.65 H new ATOM 0 HG2 GLU B 160 46.706 4.238 27.647 1.00 40.99 H new ATOM 0 HG3 GLU B 160 46.202 2.762 27.634 1.00 40.99 H new ATOM 1187 N SER B 161 46.117 3.112 32.195 1.00 25.91 N ATOM 1188 CA SER B 161 46.282 3.475 33.593 1.00 23.12 C ATOM 1189 C SER B 161 47.590 2.971 34.114 1.00 23.50 C ATOM 1190 O SER B 161 48.229 3.668 34.904 1.00 26.03 O ATOM 1191 CB SER B 161 45.143 2.940 34.473 1.00 21.66 C ATOM 1192 OG SER B 161 44.948 1.542 34.574 1.00 19.25 O ATOM 0 H SER B 161 45.456 2.585 32.037 1.00 25.91 H new ATOM 0 HA SER B 161 46.262 4.444 33.635 1.00 23.12 H new ATOM 0 HB2 SER B 161 45.282 3.281 35.370 1.00 21.66 H new ATOM 0 HB3 SER B 161 44.316 3.328 34.147 1.00 21.66 H new ATOM 0 HG SER B 161 45.354 1.156 33.948 1.00 19.25 H new ATOM 1195 N GLU B 162 48.083 1.831 33.635 1.00 23.58 N ATOM 1196 CA GLU B 162 49.361 1.387 34.138 1.00 23.93 C ATOM 1197 C GLU B 162 50.407 2.176 33.449 1.00 23.55 C ATOM 1198 O GLU B 162 51.506 2.192 33.974 1.00 27.17 O ATOM 1199 CB GLU B 162 49.661 -0.043 33.867 1.00 27.19 C ATOM 1200 CG GLU B 162 48.740 -0.977 34.608 1.00 34.94 C ATOM 1201 CD GLU B 162 49.066 -2.446 34.508 1.00 38.20 C ATOM 1202 OE1 GLU B 162 50.191 -2.769 34.140 1.00 43.47 O ATOM 1203 OE2 GLU B 162 48.169 -3.255 34.815 1.00 42.09 O ATOM 0 H GLU B 162 47.709 1.327 33.047 1.00 23.58 H new ATOM 0 HA GLU B 162 49.339 1.505 35.101 1.00 23.93 H new ATOM 0 HB2 GLU B 162 49.588 -0.211 32.914 1.00 27.19 H new ATOM 0 HB3 GLU B 162 50.579 -0.231 34.119 1.00 27.19 H new ATOM 0 HG2 GLU B 162 48.741 -0.727 35.545 1.00 34.94 H new ATOM 0 HG3 GLU B 162 47.838 -0.841 34.279 1.00 34.94 H new ATOM 1205 N ARG B 163 50.157 2.827 32.312 1.00 26.01 N ATOM 1206 CA ARG B 163 51.169 3.686 31.722 1.00 25.93 C ATOM 1207 C ARG B 163 51.156 5.044 32.354 1.00 23.74 C ATOM 1208 O ARG B 163 52.238 5.553 32.574 1.00 23.72 O ATOM 1209 CB ARG B 163 50.959 3.819 30.267 1.00 31.07 C ATOM 1210 CG ARG B 163 51.550 2.562 29.675 1.00 39.79 C ATOM 1211 CD ARG B 163 51.219 2.687 28.216 1.00 49.38 C ATOM 1212 NE ARG B 163 51.693 1.559 27.434 1.00 54.96 N ATOM 1213 CZ ARG B 163 51.249 1.369 26.183 1.00 55.97 C ATOM 1214 NH1 ARG B 163 50.354 2.204 25.600 1.00 54.89 N ATOM 1215 NH2 ARG B 163 51.722 0.286 25.552 1.00 58.87 N ATOM 0 H ARG B 163 49.417 2.783 31.876 1.00 26.01 H new ATOM 0 HA ARG B 163 52.032 3.273 31.883 1.00 25.93 H new ATOM 0 HB2 ARG B 163 50.016 3.899 30.053 1.00 31.07 H new ATOM 0 HB3 ARG B 163 51.397 4.612 29.919 1.00 31.07 H new ATOM 0 HG2 ARG B 163 52.507 2.511 29.823 1.00 39.79 H new ATOM 0 HG3 ARG B 163 51.160 1.764 30.065 1.00 39.79 H new ATOM 0 HD2 ARG B 163 50.258 2.766 28.112 1.00 49.38 H new ATOM 0 HD3 ARG B 163 51.610 3.504 27.868 1.00 49.38 H new ATOM 0 HE ARG B 163 52.261 1.010 27.775 1.00 54.96 H new ATOM 0 HH11 ARG B 163 50.052 2.882 26.034 1.00 54.89 H new ATOM 0 HH12 ARG B 163 50.088 2.056 24.796 1.00 54.89 H new ATOM 0 HH21 ARG B 163 52.276 -0.237 25.952 1.00 58.87 H new ATOM 0 HH22 ARG B 163 51.472 0.114 24.747 1.00 58.87 H new ATOM 1222 N LEU B 164 50.015 5.635 32.706 1.00 22.71 N ATOM 1223 CA LEU B 164 49.939 6.910 33.422 1.00 23.39 C ATOM 1224 C LEU B 164 50.415 6.834 34.882 1.00 25.25 C ATOM 1225 O LEU B 164 50.953 7.784 35.456 1.00 25.32 O ATOM 1226 CB LEU B 164 48.536 7.387 33.452 1.00 18.24 C ATOM 1227 CG LEU B 164 47.879 7.640 32.150 1.00 16.99 C ATOM 1228 CD1 LEU B 164 46.389 7.707 32.329 1.00 9.68 C ATOM 1229 CD2 LEU B 164 48.522 8.886 31.559 1.00 19.61 C ATOM 0 H LEU B 164 49.244 5.297 32.531 1.00 22.71 H new ATOM 0 HA LEU B 164 50.527 7.511 32.939 1.00 23.39 H new ATOM 0 HB2 LEU B 164 48.006 6.733 33.934 1.00 18.24 H new ATOM 0 HB3 LEU B 164 48.509 8.209 33.967 1.00 18.24 H new ATOM 0 HG LEU B 164 48.010 6.919 31.514 1.00 16.99 H new ATOM 0 HD11 LEU B 164 45.967 7.873 31.472 1.00 9.68 H new ATOM 0 HD12 LEU B 164 46.068 6.866 32.689 1.00 9.68 H new ATOM 0 HD13 LEU B 164 46.169 8.426 32.942 1.00 9.68 H new ATOM 0 HD21 LEU B 164 48.115 9.084 30.701 1.00 19.61 H new ATOM 0 HD22 LEU B 164 48.389 9.635 32.160 1.00 19.61 H new ATOM 0 HD23 LEU B 164 49.472 8.734 31.438 1.00 19.61 H new ATOM 1231 N LEU B 165 50.171 5.711 35.547 1.00 27.30 N ATOM 1232 CA LEU B 165 50.554 5.560 36.949 1.00 30.27 C ATOM 1233 C LEU B 165 51.986 5.126 37.245 1.00 35.58 C ATOM 1234 O LEU B 165 52.553 5.512 38.298 1.00 38.10 O ATOM 1235 CB LEU B 165 49.643 4.567 37.665 1.00 24.30 C ATOM 1236 CG LEU B 165 48.245 5.017 37.950 1.00 16.18 C ATOM 1237 CD1 LEU B 165 47.416 3.809 38.279 1.00 18.20 C ATOM 1238 CD2 LEU B 165 48.242 5.997 39.069 1.00 11.99 C ATOM 0 H LEU B 165 49.784 5.023 35.206 1.00 27.30 H new ATOM 0 HA LEU B 165 50.467 6.470 37.273 1.00 30.27 H new ATOM 0 HB2 LEU B 165 49.597 3.759 37.130 1.00 24.30 H new ATOM 0 HB3 LEU B 165 50.061 4.327 38.507 1.00 24.30 H new ATOM 0 HG LEU B 165 47.867 5.460 37.174 1.00 16.18 H new ATOM 0 HD11 LEU B 165 46.505 4.083 38.467 1.00 18.20 H new ATOM 0 HD12 LEU B 165 47.421 3.198 37.526 1.00 18.20 H new ATOM 0 HD13 LEU B 165 47.786 3.364 39.057 1.00 18.20 H new ATOM 0 HD21 LEU B 165 47.332 6.283 39.247 1.00 11.99 H new ATOM 0 HD22 LEU B 165 48.611 5.582 39.864 1.00 11.99 H new ATOM 0 HD23 LEU B 165 48.781 6.766 38.827 1.00 11.99 H new ATOM 1240 N LEU B 166 52.637 4.317 36.392 1.00 39.78 N ATOM 1241 CA LEU B 166 53.986 3.876 36.694 1.00 41.23 C ATOM 1242 C LEU B 166 54.946 4.915 36.260 1.00 43.15 C ATOM 1243 O LEU B 166 55.394 5.057 35.134 1.00 43.26 O ATOM 1244 CB LEU B 166 54.341 2.594 36.012 1.00 40.07 C ATOM 1245 CG LEU B 166 53.655 1.473 36.700 1.00 41.04 C ATOM 1246 CD1 LEU B 166 53.910 0.239 35.889 1.00 43.12 C ATOM 1247 CD2 LEU B 166 54.108 1.381 38.157 1.00 42.94 C ATOM 0 H LEU B 166 52.314 4.024 35.651 1.00 39.78 H new ATOM 0 HA LEU B 166 54.029 3.728 37.652 1.00 41.23 H new ATOM 0 HB2 LEU B 166 54.076 2.627 35.079 1.00 40.07 H new ATOM 0 HB3 LEU B 166 55.302 2.460 36.030 1.00 40.07 H new ATOM 0 HG LEU B 166 52.696 1.605 36.754 1.00 41.04 H new ATOM 0 HD11 LEU B 166 53.475 -0.520 36.309 1.00 43.12 H new ATOM 0 HD12 LEU B 166 53.555 0.360 34.994 1.00 43.12 H new ATOM 0 HD13 LEU B 166 54.865 0.077 35.838 1.00 43.12 H new ATOM 0 HD21 LEU B 166 53.651 0.644 38.592 1.00 42.94 H new ATOM 0 HD22 LEU B 166 55.066 1.231 38.189 1.00 42.94 H new ATOM 0 HD23 LEU B 166 53.895 2.209 38.615 1.00 42.94 H new ATOM 1249 N ASN B 167 55.155 5.641 37.334 1.00 45.92 N ATOM 1250 CA ASN B 167 56.033 6.772 37.372 1.00 47.70 C ATOM 1251 C ASN B 167 56.713 6.642 38.726 1.00 49.00 C ATOM 1252 O ASN B 167 56.060 6.685 39.802 1.00 46.17 O ATOM 1253 CB ASN B 167 55.223 8.043 37.261 1.00 46.05 C ATOM 1254 CG ASN B 167 56.093 9.264 37.195 1.00 42.84 C ATOM 1255 OD1 ASN B 167 57.042 9.401 37.960 1.00 39.64 O ATOM 1256 ND2 ASN B 167 55.824 10.129 36.236 1.00 41.77 N ATOM 0 H ASN B 167 54.773 5.480 38.088 1.00 45.92 H new ATOM 0 HA ASN B 167 56.677 6.803 36.647 1.00 47.70 H new ATOM 0 HB2 ASN B 167 54.666 8.001 36.468 1.00 46.05 H new ATOM 0 HB3 ASN B 167 54.627 8.113 38.023 1.00 46.05 H new ATOM 0 HD21 ASN B 167 56.323 10.821 36.129 1.00 41.77 H new ATOM 0 HD22 ASN B 167 55.150 10.001 35.718 1.00 41.77 H new ATOM 1260 N ALA B 168 58.038 6.457 38.591 1.00 50.64 N ATOM 1261 CA ALA B 168 58.971 6.277 39.707 1.00 49.74 C ATOM 1262 C ALA B 168 59.223 7.510 40.565 1.00 47.67 C ATOM 1263 O ALA B 168 59.929 7.494 41.573 1.00 47.54 O ATOM 1264 CB ALA B 168 60.343 5.809 39.229 1.00 50.23 C ATOM 0 H ALA B 168 58.424 6.433 37.823 1.00 50.64 H new ATOM 0 HA ALA B 168 58.517 5.613 40.249 1.00 49.74 H new ATOM 0 HB1 ALA B 168 60.932 5.701 39.992 1.00 50.23 H new ATOM 0 HB2 ALA B 168 60.253 4.960 38.768 1.00 50.23 H new ATOM 0 HB3 ALA B 168 60.717 6.468 38.623 1.00 50.23 H new ATOM 1266 N GLU B 169 58.626 8.603 40.133 1.00 44.95 N ATOM 1267 CA GLU B 169 58.693 9.832 40.848 1.00 43.50 C ATOM 1268 C GLU B 169 57.327 10.136 41.469 1.00 41.96 C ATOM 1269 O GLU B 169 57.107 11.233 42.009 1.00 43.13 O ATOM 1270 CB GLU B 169 59.125 10.887 39.855 1.00 45.52 C ATOM 0 H GLU B 169 58.168 8.642 39.406 1.00 44.95 H new ATOM 0 HA GLU B 169 59.328 9.800 41.580 1.00 43.50 H new ATOM 1272 N ASN B 170 56.419 9.154 41.430 1.00 37.68 N ATOM 1273 CA ASN B 170 55.112 9.295 42.052 1.00 34.34 C ATOM 1274 C ASN B 170 55.062 8.580 43.381 1.00 31.06 C ATOM 1275 O ASN B 170 55.681 7.526 43.507 1.00 32.57 O ATOM 1276 CB ASN B 170 53.956 8.695 41.229 1.00 33.72 C ATOM 1277 CG ASN B 170 53.454 9.548 40.090 1.00 31.93 C ATOM 1278 OD1 ASN B 170 53.506 10.771 40.119 1.00 27.82 O ATOM 1279 ND2 ASN B 170 52.930 8.965 39.027 1.00 31.90 N ATOM 0 H ASN B 170 56.548 8.396 41.044 1.00 37.68 H new ATOM 0 HA ASN B 170 54.997 10.255 42.134 1.00 34.34 H new ATOM 0 HB2 ASN B 170 54.245 7.842 40.870 1.00 33.72 H new ATOM 0 HB3 ASN B 170 53.214 8.514 41.827 1.00 33.72 H new ATOM 0 HD21 ASN B 170 52.635 9.443 38.376 1.00 31.90 H new ATOM 0 HD22 ASN B 170 52.884 8.107 38.986 1.00 31.90 H new ATOM 1283 N PRO B 171 54.444 9.089 44.438 1.00 28.20 N ATOM 1284 CA PRO B 171 54.387 8.385 45.692 1.00 27.44 C ATOM 1285 C PRO B 171 53.525 7.116 45.639 1.00 29.74 C ATOM 1286 O PRO B 171 52.631 6.957 44.782 1.00 31.37 O ATOM 1287 CB PRO B 171 53.888 9.445 46.639 1.00 25.69 C ATOM 1288 CG PRO B 171 53.078 10.343 45.775 1.00 23.97 C ATOM 1289 CD PRO B 171 54.034 10.475 44.604 1.00 24.47 C ATOM 0 HA PRO B 171 55.241 8.019 45.970 1.00 27.44 H new ATOM 0 HB2 PRO B 171 53.354 9.062 47.353 1.00 25.69 H new ATOM 0 HB3 PRO B 171 54.622 9.921 47.058 1.00 25.69 H new ATOM 0 HG2 PRO B 171 52.227 9.952 45.522 1.00 23.97 H new ATOM 0 HG3 PRO B 171 52.884 11.194 46.198 1.00 23.97 H new ATOM 0 HD2 PRO B 171 53.600 10.829 43.812 1.00 24.47 H new ATOM 0 HD3 PRO B 171 54.782 11.060 44.803 1.00 24.47 H new ATOM 1290 N ARG B 172 53.810 6.167 46.556 1.00 27.53 N ATOM 1291 CA ARG B 172 52.997 4.969 46.689 1.00 22.22 C ATOM 1292 C ARG B 172 51.585 5.459 47.061 1.00 16.52 C ATOM 1293 O ARG B 172 51.376 6.393 47.848 1.00 13.64 O ATOM 1294 CB ARG B 172 53.526 4.053 47.806 1.00 27.39 C ATOM 1295 CG ARG B 172 54.885 3.387 47.727 1.00 35.92 C ATOM 1296 CD ARG B 172 55.043 2.421 48.946 1.00 44.80 C ATOM 1297 NE ARG B 172 54.125 1.253 48.931 1.00 57.48 N ATOM 1298 CZ ARG B 172 53.896 0.459 50.013 1.00 63.88 C ATOM 1299 NH1 ARG B 172 54.529 0.716 51.183 1.00 67.42 N ATOM 1300 NH2 ARG B 172 53.027 -0.573 49.953 1.00 66.63 N ATOM 0 H ARG B 172 54.472 6.211 47.103 1.00 27.53 H new ATOM 0 HA ARG B 172 53.010 4.456 45.866 1.00 22.22 H new ATOM 0 HB2 ARG B 172 53.519 4.576 48.623 1.00 27.39 H new ATOM 0 HB3 ARG B 172 52.874 3.344 47.918 1.00 27.39 H new ATOM 0 HG2 ARG B 172 54.970 2.895 46.895 1.00 35.92 H new ATOM 0 HG3 ARG B 172 55.588 4.056 47.735 1.00 35.92 H new ATOM 0 HD2 ARG B 172 55.957 2.099 48.972 1.00 44.80 H new ATOM 0 HD3 ARG B 172 54.896 2.923 49.763 1.00 44.80 H new ATOM 0 HE ARG B 172 53.715 1.068 48.198 1.00 57.48 H new ATOM 0 HH11 ARG B 172 55.074 1.379 51.241 1.00 67.42 H new ATOM 0 HH12 ARG B 172 54.386 0.216 51.868 1.00 67.42 H new ATOM 0 HH21 ARG B 172 52.606 -0.739 49.222 1.00 66.63 H new ATOM 0 HH22 ARG B 172 52.894 -1.064 50.646 1.00 66.63 H new ATOM 1307 N GLY B 173 50.579 4.840 46.498 1.00 11.26 N ATOM 1308 CA GLY B 173 49.233 5.252 46.797 1.00 7.59 C ATOM 1309 C GLY B 173 48.761 6.240 45.780 1.00 11.21 C ATOM 1310 O GLY B 173 47.671 6.736 45.999 1.00 14.07 O ATOM 0 H GLY B 173 50.650 4.185 45.945 1.00 11.26 H new ATOM 0 HA2 GLY B 173 48.645 4.480 46.806 1.00 7.59 H new ATOM 0 HA3 GLY B 173 49.197 5.646 47.683 1.00 7.59 H new ATOM 1312 N THR B 174 49.514 6.652 44.759 1.00 10.77 N ATOM 1313 CA THR B 174 48.952 7.482 43.686 1.00 10.36 C ATOM 1314 C THR B 174 47.874 6.643 42.950 1.00 10.45 C ATOM 1315 O THR B 174 48.066 5.447 42.703 1.00 10.71 O ATOM 1316 CB THR B 174 50.118 7.917 42.761 1.00 9.17 C ATOM 1317 OG1 THR B 174 50.873 8.730 43.643 1.00 14.71 O ATOM 1318 CG2 THR B 174 49.826 8.803 41.555 1.00 5.14 C ATOM 0 H THR B 174 50.348 6.464 44.667 1.00 10.77 H new ATOM 0 HA THR B 174 48.523 8.286 44.017 1.00 10.36 H new ATOM 0 HB THR B 174 50.495 7.114 42.368 1.00 9.17 H new ATOM 0 HG1 THR B 174 51.443 8.258 44.040 1.00 14.71 H new ATOM 0 HG21 THR B 174 50.652 8.986 41.080 1.00 5.14 H new ATOM 0 HG22 THR B 174 49.207 8.349 40.962 1.00 5.14 H new ATOM 0 HG23 THR B 174 49.433 9.638 41.854 1.00 5.14 H new ATOM 1321 N PHE B 175 46.768 7.224 42.503 1.00 9.25 N ATOM 1322 CA PHE B 175 45.651 6.471 41.977 1.00 9.30 C ATOM 1323 C PHE B 175 44.834 7.271 40.939 1.00 12.10 C ATOM 1324 O PHE B 175 45.077 8.448 40.692 1.00 8.65 O ATOM 1325 CB PHE B 175 44.753 6.088 43.180 1.00 9.19 C ATOM 1326 CG PHE B 175 43.980 7.310 43.742 1.00 9.84 C ATOM 1327 CD1 PHE B 175 44.606 8.231 44.606 1.00 6.61 C ATOM 1328 CD2 PHE B 175 42.640 7.516 43.378 1.00 2.89 C ATOM 1329 CE1 PHE B 175 43.906 9.333 45.082 1.00 5.52 C ATOM 1330 CE2 PHE B 175 41.970 8.638 43.866 1.00 8.18 C ATOM 1331 CZ PHE B 175 42.586 9.551 44.715 1.00 3.07 C ATOM 0 H PHE B 175 46.648 8.076 42.498 1.00 9.25 H new ATOM 0 HA PHE B 175 45.984 5.687 41.513 1.00 9.30 H new ATOM 0 HB2 PHE B 175 44.121 5.405 42.906 1.00 9.19 H new ATOM 0 HB3 PHE B 175 45.301 5.703 43.882 1.00 9.19 H new ATOM 0 HD1 PHE B 175 45.491 8.101 44.859 1.00 6.61 H new ATOM 0 HD2 PHE B 175 42.205 6.913 42.819 1.00 2.89 H new ATOM 0 HE1 PHE B 175 44.328 9.932 45.654 1.00 5.52 H new ATOM 0 HE2 PHE B 175 41.085 8.780 43.616 1.00 8.18 H new ATOM 0 HZ PHE B 175 42.122 10.293 45.030 1.00 3.07 H new ATOM 1333 N LEU B 176 43.790 6.659 40.389 1.00 14.21 N ATOM 1334 CA LEU B 176 42.804 7.247 39.494 1.00 15.46 C ATOM 1335 C LEU B 176 41.600 6.297 39.531 1.00 14.99 C ATOM 1336 O LEU B 176 41.776 5.115 39.869 1.00 12.44 O ATOM 1337 CB LEU B 176 43.374 7.357 38.061 1.00 13.60 C ATOM 1338 CG LEU B 176 43.995 6.149 37.402 1.00 13.85 C ATOM 1339 CD1 LEU B 176 42.933 5.392 36.624 1.00 13.37 C ATOM 1340 CD2 LEU B 176 45.120 6.613 36.442 1.00 15.37 C ATOM 0 H LEU B 176 43.629 5.828 40.542 1.00 14.21 H new ATOM 0 HA LEU B 176 42.558 8.145 39.766 1.00 15.46 H new ATOM 0 HB2 LEU B 176 42.654 7.661 37.486 1.00 13.60 H new ATOM 0 HB3 LEU B 176 44.045 8.058 38.070 1.00 13.60 H new ATOM 0 HG LEU B 176 44.370 5.564 38.079 1.00 13.85 H new ATOM 0 HD11 LEU B 176 43.333 4.616 36.201 1.00 13.37 H new ATOM 0 HD12 LEU B 176 42.232 5.104 37.229 1.00 13.37 H new ATOM 0 HD13 LEU B 176 42.555 5.971 35.944 1.00 13.37 H new ATOM 0 HD21 LEU B 176 45.522 5.840 36.016 1.00 15.37 H new ATOM 0 HD22 LEU B 176 44.746 7.197 35.764 1.00 15.37 H new ATOM 0 HD23 LEU B 176 45.797 7.093 36.944 1.00 15.37 H new ATOM 1342 N VAL B 177 40.360 6.764 39.294 1.00 17.56 N ATOM 1343 CA VAL B 177 39.188 5.888 39.145 1.00 13.65 C ATOM 1344 C VAL B 177 38.843 5.967 37.617 1.00 17.19 C ATOM 1345 O VAL B 177 38.833 6.990 36.920 1.00 15.82 O ATOM 1346 CB VAL B 177 38.029 6.380 40.088 1.00 11.18 C ATOM 1347 CG1 VAL B 177 36.833 5.481 39.957 1.00 4.65 C ATOM 1348 CG2 VAL B 177 38.379 6.182 41.567 1.00 7.23 C ATOM 0 H VAL B 177 40.179 7.601 39.216 1.00 17.56 H new ATOM 0 HA VAL B 177 39.342 4.967 39.408 1.00 13.65 H new ATOM 0 HB VAL B 177 37.879 7.306 39.840 1.00 11.18 H new ATOM 0 HG11 VAL B 177 36.126 5.795 40.543 1.00 4.65 H new ATOM 0 HG12 VAL B 177 36.520 5.491 39.039 1.00 4.65 H new ATOM 0 HG13 VAL B 177 37.080 4.576 40.204 1.00 4.65 H new ATOM 0 HG21 VAL B 177 37.645 6.495 42.118 1.00 7.23 H new ATOM 0 HG22 VAL B 177 38.534 5.240 41.740 1.00 7.23 H new ATOM 0 HG23 VAL B 177 39.180 6.685 41.780 1.00 7.23 H new ATOM 1350 N ARG B 178 38.683 4.823 36.991 1.00 18.91 N ATOM 1351 CA ARG B 178 38.363 4.695 35.595 1.00 16.95 C ATOM 1352 C ARG B 178 37.249 3.694 35.506 1.00 19.50 C ATOM 1353 O ARG B 178 36.810 3.164 36.526 1.00 23.43 O ATOM 1354 CB ARG B 178 39.574 4.188 34.832 1.00 13.92 C ATOM 1355 CG ARG B 178 40.234 3.019 35.464 1.00 10.27 C ATOM 1356 CD ARG B 178 41.030 2.397 34.408 1.00 14.37 C ATOM 1357 NE ARG B 178 41.707 1.204 34.860 1.00 17.64 N ATOM 1358 CZ ARG B 178 41.256 -0.018 34.540 1.00 18.05 C ATOM 1359 NH1 ARG B 178 40.158 -0.182 33.802 1.00 15.97 N ATOM 1360 NH2 ARG B 178 41.993 -1.073 34.935 1.00 15.45 N ATOM 0 H ARG B 178 38.762 4.065 37.389 1.00 18.91 H new ATOM 0 HA ARG B 178 38.103 5.548 35.213 1.00 16.95 H new ATOM 0 HB2 ARG B 178 39.302 3.948 33.933 1.00 13.92 H new ATOM 0 HB3 ARG B 178 40.219 4.908 34.750 1.00 13.92 H new ATOM 0 HG2 ARG B 178 40.794 3.294 36.207 1.00 10.27 H new ATOM 0 HG3 ARG B 178 39.578 2.398 35.818 1.00 10.27 H new ATOM 0 HD2 ARG B 178 40.454 2.175 33.660 1.00 14.37 H new ATOM 0 HD3 ARG B 178 41.685 3.034 34.082 1.00 14.37 H new ATOM 0 HE ARG B 178 42.414 1.279 35.344 1.00 17.64 H new ATOM 0 HH11 ARG B 178 39.723 0.504 33.520 1.00 15.97 H new ATOM 0 HH12 ARG B 178 39.885 -0.974 33.607 1.00 15.97 H new ATOM 0 HH21 ARG B 178 42.722 -0.948 35.374 1.00 15.45 H new ATOM 0 HH22 ARG B 178 41.735 -1.872 34.748 1.00 15.45 H new ATOM 1367 N GLU B 179 36.738 3.443 34.324 1.00 23.48 N ATOM 1368 CA GLU B 179 35.715 2.443 34.111 1.00 25.89 C ATOM 1369 C GLU B 179 36.268 1.031 33.948 1.00 27.54 C ATOM 1370 O GLU B 179 37.376 0.887 33.428 1.00 27.96 O ATOM 1371 CB GLU B 179 34.949 2.696 32.868 1.00 28.47 C ATOM 1372 CG GLU B 179 34.211 3.998 32.825 1.00 32.87 C ATOM 1373 CD GLU B 179 33.211 4.091 31.689 1.00 36.40 C ATOM 1374 OE1 GLU B 179 33.212 3.308 30.731 1.00 39.18 O ATOM 1375 OE2 GLU B 179 32.407 5.003 31.788 1.00 38.72 O ATOM 0 H GLU B 179 36.978 3.854 33.608 1.00 23.48 H new ATOM 0 HA GLU B 179 35.164 2.506 34.907 1.00 25.89 H new ATOM 0 HB2 GLU B 179 35.561 2.663 32.116 1.00 28.47 H new ATOM 0 HB3 GLU B 179 34.311 1.975 32.746 1.00 28.47 H new ATOM 0 HG2 GLU B 179 33.746 4.126 33.667 1.00 32.87 H new ATOM 0 HG3 GLU B 179 34.852 4.722 32.742 1.00 32.87 H new ATOM 1377 N SER B 180 35.600 -0.063 34.352 1.00 30.21 N ATOM 1378 CA SER B 180 36.122 -1.385 34.088 1.00 32.94 C ATOM 1379 C SER B 180 35.818 -1.664 32.619 1.00 36.69 C ATOM 1380 O SER B 180 34.730 -1.386 32.155 1.00 39.19 O ATOM 1381 CB SER B 180 35.419 -2.458 34.923 1.00 28.68 C ATOM 1382 OG SER B 180 36.203 -3.646 34.780 1.00 32.14 O ATOM 0 H SER B 180 34.851 -0.047 34.775 1.00 30.21 H new ATOM 0 HA SER B 180 37.067 -1.413 34.305 1.00 32.94 H new ATOM 0 HB2 SER B 180 35.360 -2.191 35.854 1.00 28.68 H new ATOM 0 HB3 SER B 180 34.512 -2.601 34.611 1.00 28.68 H new ATOM 0 HG SER B 180 36.999 -3.484 34.994 1.00 32.14 H new ATOM 1385 N GLU B 181 36.803 -2.108 31.832 1.00 40.76 N ATOM 1386 CA GLU B 181 36.568 -2.531 30.451 1.00 45.14 C ATOM 1387 C GLU B 181 35.789 -3.874 30.426 1.00 47.00 C ATOM 1388 O GLU B 181 34.778 -4.139 29.754 1.00 48.24 O ATOM 1389 CB GLU B 181 37.941 -2.734 29.774 1.00 47.06 C ATOM 1390 CG GLU B 181 38.964 -1.591 29.667 1.00 51.62 C ATOM 1391 CD GLU B 181 40.254 -2.037 29.030 1.00 54.21 C ATOM 1392 OE1 GLU B 181 40.320 -2.180 27.841 1.00 59.02 O ATOM 1393 OE2 GLU B 181 41.205 -2.263 29.742 1.00 52.70 O ATOM 0 H GLU B 181 37.623 -2.172 32.084 1.00 40.76 H new ATOM 0 HA GLU B 181 36.047 -1.858 29.986 1.00 45.14 H new ATOM 0 HB2 GLU B 181 38.380 -3.462 30.241 1.00 47.06 H new ATOM 0 HB3 GLU B 181 37.767 -3.041 28.871 1.00 47.06 H new ATOM 0 HG2 GLU B 181 38.583 -0.866 29.147 1.00 51.62 H new ATOM 0 HG3 GLU B 181 39.147 -1.240 30.552 1.00 51.62 H new ATOM 1395 N THR B 182 36.323 -4.732 31.297 1.00 49.09 N ATOM 1396 CA THR B 182 35.898 -6.098 31.446 1.00 47.06 C ATOM 1397 C THR B 182 34.495 -6.245 31.974 1.00 45.63 C ATOM 1398 O THR B 182 33.713 -6.992 31.386 1.00 49.50 O ATOM 1399 CB THR B 182 37.007 -6.697 32.329 1.00 48.10 C ATOM 1400 OG1 THR B 182 38.181 -6.626 31.502 1.00 49.65 O ATOM 1401 CG2 THR B 182 36.818 -8.128 32.740 1.00 53.43 C ATOM 0 H THR B 182 36.963 -4.516 31.829 1.00 49.09 H new ATOM 0 HA THR B 182 35.811 -6.573 30.605 1.00 47.06 H new ATOM 0 HB THR B 182 37.036 -6.205 33.165 1.00 48.10 H new ATOM 0 HG1 THR B 182 38.770 -6.170 31.890 1.00 49.65 H new ATOM 0 HG21 THR B 182 37.566 -8.408 33.290 1.00 53.43 H new ATOM 0 HG22 THR B 182 35.995 -8.214 33.246 1.00 53.43 H new ATOM 0 HG23 THR B 182 36.771 -8.688 31.950 1.00 53.43 H new ATOM 1404 N THR B 183 34.088 -5.504 32.994 1.00 44.01 N ATOM 1405 CA THR B 183 32.792 -5.694 33.610 1.00 40.81 C ATOM 1406 C THR B 183 31.942 -4.500 33.318 1.00 41.77 C ATOM 1407 O THR B 183 32.161 -3.491 33.978 1.00 42.84 O ATOM 1408 CB THR B 183 32.875 -5.810 35.159 1.00 41.54 C ATOM 1409 OG1 THR B 183 33.690 -6.925 35.500 1.00 40.76 O ATOM 1410 CG2 THR B 183 31.528 -5.987 35.798 1.00 34.30 C ATOM 0 H THR B 183 34.558 -4.877 33.347 1.00 44.01 H new ATOM 0 HA THR B 183 32.427 -6.517 33.249 1.00 40.81 H new ATOM 0 HB THR B 183 33.254 -4.981 35.490 1.00 41.54 H new ATOM 0 HG1 THR B 183 33.241 -7.472 35.952 1.00 40.76 H new ATOM 0 HG21 THR B 183 31.632 -6.054 36.760 1.00 34.30 H new ATOM 0 HG22 THR B 183 30.967 -5.225 35.586 1.00 34.30 H new ATOM 0 HG23 THR B 183 31.114 -6.797 35.461 1.00 34.30 H new ATOM 1413 N LYS B 184 30.967 -4.532 32.435 1.00 43.45 N ATOM 1414 CA LYS B 184 30.138 -3.366 32.153 1.00 44.98 C ATOM 1415 C LYS B 184 29.430 -2.898 33.417 1.00 44.85 C ATOM 1416 O LYS B 184 28.921 -3.715 34.197 1.00 47.31 O ATOM 1417 CB LYS B 184 29.048 -3.682 31.124 1.00 43.83 C ATOM 0 H LYS B 184 30.761 -5.230 31.977 1.00 43.45 H new ATOM 0 HA LYS B 184 30.733 -2.682 31.808 1.00 44.98 H new ATOM 1419 N GLY B 185 29.419 -1.582 33.610 1.00 42.71 N ATOM 1420 CA GLY B 185 28.771 -0.986 34.767 1.00 41.13 C ATOM 1421 C GLY B 185 29.616 -0.749 36.025 1.00 36.44 C ATOM 1422 O GLY B 185 29.181 -0.011 36.915 1.00 36.65 O ATOM 0 H GLY B 185 29.785 -1.015 33.077 1.00 42.71 H new ATOM 0 HA2 GLY B 185 28.401 -0.132 34.493 1.00 41.13 H new ATOM 0 HA3 GLY B 185 28.024 -1.553 35.014 1.00 41.13 H new ATOM 1424 N ALA B 186 30.783 -1.376 36.099 1.00 32.10 N ATOM 1425 CA ALA B 186 31.665 -1.312 37.242 1.00 27.97 C ATOM 1426 C ALA B 186 32.763 -0.315 37.031 1.00 25.69 C ATOM 1427 O ALA B 186 33.047 0.088 35.894 1.00 27.63 O ATOM 1428 CB ALA B 186 32.343 -2.659 37.511 1.00 23.16 C ATOM 0 H ALA B 186 31.089 -1.865 35.461 1.00 32.10 H new ATOM 0 HA ALA B 186 31.105 -1.056 37.991 1.00 27.97 H new ATOM 0 HB1 ALA B 186 32.926 -2.580 38.282 1.00 23.16 H new ATOM 0 HB2 ALA B 186 31.667 -3.333 37.685 1.00 23.16 H new ATOM 0 HB3 ALA B 186 32.866 -2.919 36.736 1.00 23.16 H new ATOM 1430 N TYR B 187 33.414 0.050 38.115 1.00 21.87 N ATOM 1431 CA TYR B 187 34.520 0.951 38.012 1.00 18.88 C ATOM 1432 C TYR B 187 35.740 0.228 38.450 1.00 14.83 C ATOM 1433 O TYR B 187 35.653 -0.949 38.788 1.00 10.44 O ATOM 1434 CB TYR B 187 34.268 2.136 38.863 1.00 17.89 C ATOM 1435 CG TYR B 187 33.160 2.938 38.247 1.00 22.48 C ATOM 1436 CD1 TYR B 187 33.440 3.860 37.243 1.00 25.63 C ATOM 1437 CD2 TYR B 187 31.891 2.817 38.752 1.00 25.31 C ATOM 1438 CE1 TYR B 187 32.440 4.692 36.741 1.00 26.98 C ATOM 1439 CE2 TYR B 187 30.885 3.641 38.263 1.00 30.20 C ATOM 1440 CZ TYR B 187 31.168 4.581 37.269 1.00 30.87 C ATOM 1441 OH TYR B 187 30.170 5.465 36.874 1.00 39.53 O ATOM 0 H TYR B 187 33.228 -0.214 38.912 1.00 21.87 H new ATOM 0 HA TYR B 187 34.638 1.258 37.099 1.00 18.88 H new ATOM 0 HB2 TYR B 187 34.026 1.861 39.761 1.00 17.89 H new ATOM 0 HB3 TYR B 187 35.072 2.674 38.938 1.00 17.89 H new ATOM 0 HD1 TYR B 187 34.303 3.922 36.903 1.00 25.63 H new ATOM 0 HD2 TYR B 187 31.706 2.191 39.414 1.00 25.31 H new ATOM 0 HE1 TYR B 187 32.625 5.306 36.068 1.00 26.98 H new ATOM 0 HE2 TYR B 187 30.021 3.567 38.598 1.00 30.20 H new ATOM 0 HH TYR B 187 29.455 5.278 37.274 1.00 39.53 H new ATOM 1444 N CYS B 188 36.866 0.920 38.439 1.00 14.54 N ATOM 1445 CA CYS B 188 38.109 0.327 38.864 1.00 14.39 C ATOM 1446 C CYS B 188 38.971 1.394 39.464 1.00 15.52 C ATOM 1447 O CYS B 188 38.979 2.523 38.976 1.00 15.94 O ATOM 1448 CB CYS B 188 38.813 -0.285 37.661 1.00 11.18 C ATOM 1449 SG CYS B 188 40.440 -0.957 38.072 1.00 25.27 S ATOM 0 H CYS B 188 36.927 1.740 38.186 1.00 14.54 H new ATOM 0 HA CYS B 188 37.940 -0.366 39.521 1.00 14.39 H new ATOM 0 HB2 CYS B 188 38.260 -0.991 37.292 1.00 11.18 H new ATOM 0 HB3 CYS B 188 38.911 0.389 36.971 1.00 11.18 H new ATOM 0 HG CYS B 188 41.279 -0.120 37.884 1.00 25.27 H new ATOM 1451 N LEU B 189 39.635 1.023 40.551 1.00 15.52 N ATOM 1452 CA LEU B 189 40.541 1.922 41.202 1.00 12.63 C ATOM 1453 C LEU B 189 41.931 1.366 41.053 1.00 13.76 C ATOM 1454 O LEU B 189 42.246 0.307 41.587 1.00 15.57 O ATOM 1455 CB LEU B 189 40.080 1.993 42.618 1.00 14.09 C ATOM 1456 CG LEU B 189 40.887 2.664 43.679 1.00 12.41 C ATOM 1457 CD1 LEU B 189 40.769 4.206 43.593 1.00 3.72 C ATOM 1458 CD2 LEU B 189 40.343 2.106 44.996 1.00 11.34 C ATOM 0 H LEU B 189 39.567 0.249 40.921 1.00 15.52 H new ATOM 0 HA LEU B 189 40.558 2.817 40.828 1.00 12.63 H new ATOM 0 HB2 LEU B 189 39.213 2.428 42.609 1.00 14.09 H new ATOM 0 HB3 LEU B 189 39.936 1.080 42.912 1.00 14.09 H new ATOM 0 HG LEU B 189 41.836 2.487 43.587 1.00 12.41 H new ATOM 0 HD11 LEU B 189 41.303 4.611 44.294 1.00 3.72 H new ATOM 0 HD12 LEU B 189 41.089 4.507 42.728 1.00 3.72 H new ATOM 0 HD13 LEU B 189 39.841 4.466 43.703 1.00 3.72 H new ATOM 0 HD21 LEU B 189 40.825 2.501 45.739 1.00 11.34 H new ATOM 0 HD22 LEU B 189 39.400 2.319 45.073 1.00 11.34 H new ATOM 0 HD23 LEU B 189 40.458 1.143 45.012 1.00 11.34 H new ATOM 1460 N SER B 190 42.735 2.026 40.233 1.00 11.34 N ATOM 1461 CA SER B 190 44.073 1.560 39.958 1.00 13.37 C ATOM 1462 C SER B 190 44.985 2.264 40.922 1.00 14.93 C ATOM 1463 O SER B 190 44.799 3.475 41.048 1.00 18.69 O ATOM 1464 CB SER B 190 44.340 1.901 38.550 1.00 11.00 C ATOM 1465 OG SER B 190 43.441 1.202 37.687 1.00 14.62 O ATOM 0 H SER B 190 42.518 2.751 39.825 1.00 11.34 H new ATOM 0 HA SER B 190 44.202 0.606 40.073 1.00 13.37 H new ATOM 0 HB2 SER B 190 44.244 2.857 38.419 1.00 11.00 H new ATOM 0 HB3 SER B 190 45.256 1.674 38.325 1.00 11.00 H new ATOM 0 HG SER B 190 43.642 0.386 37.674 1.00 14.62 H new ATOM 1468 N VAL B 191 45.989 1.658 41.564 1.00 16.57 N ATOM 1469 CA VAL B 191 46.759 2.318 42.641 1.00 16.35 C ATOM 1470 C VAL B 191 48.217 1.914 42.507 1.00 16.97 C ATOM 1471 O VAL B 191 48.465 0.700 42.349 1.00 17.47 O ATOM 1472 CB VAL B 191 46.288 1.854 44.082 1.00 17.45 C ATOM 1473 CG1 VAL B 191 46.961 2.618 45.239 1.00 14.13 C ATOM 1474 CG2 VAL B 191 44.787 2.022 44.159 1.00 19.76 C ATOM 0 H VAL B 191 46.246 0.856 41.392 1.00 16.57 H new ATOM 0 HA VAL B 191 46.624 3.274 42.553 1.00 16.35 H new ATOM 0 HB VAL B 191 46.554 0.928 44.192 1.00 17.45 H new ATOM 0 HG11 VAL B 191 46.627 2.283 46.086 1.00 14.13 H new ATOM 0 HG12 VAL B 191 47.921 2.489 45.197 1.00 14.13 H new ATOM 0 HG13 VAL B 191 46.759 3.564 45.163 1.00 14.13 H new ATOM 0 HG21 VAL B 191 44.475 1.744 45.034 1.00 19.76 H new ATOM 0 HG22 VAL B 191 44.558 2.954 44.015 1.00 19.76 H new ATOM 0 HG23 VAL B 191 44.365 1.477 43.477 1.00 19.76 H new ATOM 1476 N SER B 192 49.182 2.847 42.557 1.00 16.32 N ATOM 1477 CA SER B 192 50.546 2.403 42.452 1.00 21.12 C ATOM 1478 C SER B 192 51.063 1.898 43.790 1.00 24.05 C ATOM 1479 O SER B 192 50.711 2.390 44.884 1.00 26.07 O ATOM 1480 CB SER B 192 51.404 3.518 41.944 1.00 19.56 C ATOM 1481 OG SER B 192 51.332 4.650 42.786 1.00 28.64 O ATOM 0 H SER B 192 49.062 3.694 42.647 1.00 16.32 H new ATOM 0 HA SER B 192 50.582 1.664 41.824 1.00 21.12 H new ATOM 0 HB2 SER B 192 52.324 3.217 41.882 1.00 19.56 H new ATOM 0 HB3 SER B 192 51.124 3.761 41.048 1.00 19.56 H new ATOM 0 HG SER B 192 51.823 5.259 42.479 1.00 28.64 H new ATOM 1484 N ASP B 193 51.912 0.883 43.681 1.00 24.35 N ATOM 1485 CA ASP B 193 52.454 0.288 44.852 1.00 27.46 C ATOM 1486 C ASP B 193 53.910 -0.018 44.638 1.00 30.53 C ATOM 1487 O ASP B 193 54.410 0.054 43.525 1.00 30.02 O ATOM 1488 CB ASP B 193 51.667 -0.969 45.126 1.00 28.12 C ATOM 1489 CG ASP B 193 51.997 -1.533 46.475 1.00 27.34 C ATOM 1490 OD1 ASP B 193 52.247 -0.755 47.417 1.00 22.84 O ATOM 1491 OD2 ASP B 193 52.023 -2.762 46.531 1.00 25.24 O ATOM 0 H ASP B 193 52.175 0.539 42.938 1.00 24.35 H new ATOM 0 HA ASP B 193 52.391 0.887 45.612 1.00 27.46 H new ATOM 0 HB2 ASP B 193 50.718 -0.776 45.077 1.00 28.12 H new ATOM 0 HB3 ASP B 193 51.858 -1.629 44.441 1.00 28.12 H new ATOM 1493 N PHE B 194 54.642 -0.356 45.679 1.00 37.73 N ATOM 1494 CA PHE B 194 56.035 -0.731 45.584 1.00 42.13 C ATOM 1495 C PHE B 194 56.337 -1.727 46.675 1.00 46.19 C ATOM 1496 O PHE B 194 56.200 -1.427 47.867 1.00 47.83 O ATOM 1497 CB PHE B 194 56.988 0.454 45.767 1.00 40.05 C ATOM 1498 CG PHE B 194 58.464 0.071 45.645 1.00 41.17 C ATOM 1499 CD1 PHE B 194 59.162 -0.552 46.701 1.00 41.49 C ATOM 1500 CD2 PHE B 194 59.108 0.298 44.427 1.00 40.92 C ATOM 1501 CE1 PHE B 194 60.492 -0.912 46.547 1.00 40.46 C ATOM 1502 CE2 PHE B 194 60.446 -0.060 44.273 1.00 38.99 C ATOM 1503 CZ PHE B 194 61.118 -0.688 45.326 1.00 42.78 C ATOM 0 H PHE B 194 54.335 -0.374 46.482 1.00 37.73 H new ATOM 0 HA PHE B 194 56.173 -1.095 44.696 1.00 42.13 H new ATOM 0 HB2 PHE B 194 56.781 1.132 45.105 1.00 40.05 H new ATOM 0 HB3 PHE B 194 56.835 0.852 46.638 1.00 40.05 H new ATOM 0 HD1 PHE B 194 58.727 -0.722 47.505 1.00 41.49 H new ATOM 0 HD2 PHE B 194 58.645 0.687 43.720 1.00 40.92 H new ATOM 0 HE1 PHE B 194 60.960 -1.299 47.252 1.00 40.46 H new ATOM 0 HE2 PHE B 194 60.889 0.118 43.475 1.00 38.99 H new ATOM 0 HZ PHE B 194 61.999 -0.961 45.208 1.00 42.78 H new ATOM 1505 N ASP B 195 56.784 -2.893 46.256 1.00 52.10 N ATOM 1506 CA ASP B 195 57.258 -3.871 47.206 1.00 57.46 C ATOM 1507 C ASP B 195 58.676 -4.175 46.749 1.00 58.04 C ATOM 1508 O ASP B 195 59.034 -4.026 45.584 1.00 56.22 O ATOM 1509 CB ASP B 195 56.427 -5.173 47.206 1.00 62.41 C ATOM 1510 CG ASP B 195 56.777 -6.182 46.148 1.00 66.52 C ATOM 1511 OD1 ASP B 195 56.226 -6.092 45.070 1.00 69.18 O ATOM 1512 OD2 ASP B 195 57.629 -7.033 46.390 1.00 70.70 O ATOM 0 H ASP B 195 56.821 -3.136 45.432 1.00 52.10 H new ATOM 0 HA ASP B 195 57.196 -3.526 48.111 1.00 57.46 H new ATOM 0 HB2 ASP B 195 56.522 -5.596 48.074 1.00 62.41 H new ATOM 0 HB3 ASP B 195 55.491 -4.938 47.106 1.00 62.41 H new ATOM 1514 N ASN B 196 59.485 -4.659 47.680 1.00 61.45 N ATOM 1515 CA ASN B 196 60.904 -4.921 47.441 1.00 64.10 C ATOM 1516 C ASN B 196 61.210 -5.773 46.222 1.00 65.37 C ATOM 1517 O ASN B 196 62.088 -5.440 45.420 1.00 65.53 O ATOM 1518 CB ASN B 196 61.560 -5.621 48.655 1.00 63.81 C ATOM 0 H ASN B 196 59.227 -4.848 48.478 1.00 61.45 H new ATOM 0 HA ASN B 196 61.270 -4.036 47.287 1.00 64.10 H new ATOM 1520 N ALA B 197 60.445 -6.857 46.117 1.00 64.77 N ATOM 1521 CA ALA B 197 60.633 -7.792 45.049 1.00 63.48 C ATOM 1522 C ALA B 197 60.034 -7.246 43.761 1.00 62.86 C ATOM 1523 O ALA B 197 60.825 -6.863 42.882 1.00 66.85 O ATOM 1524 CB ALA B 197 59.963 -9.112 45.396 1.00 63.41 C ATOM 0 H ALA B 197 59.812 -7.058 46.664 1.00 64.77 H new ATOM 0 HA ALA B 197 61.584 -7.933 44.923 1.00 63.48 H new ATOM 0 HB1 ALA B 197 60.093 -9.742 44.670 1.00 63.41 H new ATOM 0 HB2 ALA B 197 60.354 -9.470 46.208 1.00 63.41 H new ATOM 0 HB3 ALA B 197 59.014 -8.967 45.532 1.00 63.41 H new ATOM 1526 N LYS B 198 58.700 -7.106 43.607 1.00 57.28 N ATOM 1527 CA LYS B 198 58.162 -6.707 42.314 1.00 52.18 C ATOM 1528 C LYS B 198 58.452 -5.282 41.959 1.00 47.69 C ATOM 1529 O LYS B 198 58.371 -4.920 40.779 1.00 46.98 O ATOM 1530 CB LYS B 198 56.649 -6.849 42.215 1.00 51.43 C ATOM 0 H LYS B 198 58.116 -7.235 44.225 1.00 57.28 H new ATOM 0 HA LYS B 198 58.609 -7.315 41.705 1.00 52.18 H new ATOM 1532 N GLY B 199 58.818 -4.505 42.970 1.00 43.72 N ATOM 1533 CA GLY B 199 59.091 -3.097 42.774 1.00 39.81 C ATOM 1534 C GLY B 199 57.817 -2.320 42.511 1.00 35.69 C ATOM 1535 O GLY B 199 56.794 -2.571 43.146 1.00 34.54 O ATOM 0 H GLY B 199 58.913 -4.779 43.780 1.00 43.72 H new ATOM 0 HA2 GLY B 199 59.534 -2.739 43.559 1.00 39.81 H new ATOM 0 HA3 GLY B 199 59.701 -2.984 42.028 1.00 39.81 H new ATOM 1537 N LEU B 200 57.941 -1.338 41.623 1.00 32.46 N ATOM 1538 CA LEU B 200 56.829 -0.556 41.181 1.00 32.20 C ATOM 1539 C LEU B 200 55.834 -1.378 40.421 1.00 30.50 C ATOM 1540 O LEU B 200 56.208 -1.999 39.448 1.00 34.07 O ATOM 1541 CB LEU B 200 57.171 0.517 40.218 1.00 33.79 C ATOM 1542 CG LEU B 200 57.695 1.837 40.587 1.00 35.91 C ATOM 1543 CD1 LEU B 200 57.395 2.710 39.349 1.00 37.16 C ATOM 1544 CD2 LEU B 200 57.052 2.404 41.825 1.00 31.55 C ATOM 0 H LEU B 200 58.690 -1.115 41.264 1.00 32.46 H new ATOM 0 HA LEU B 200 56.491 -0.191 42.014 1.00 32.20 H new ATOM 0 HB2 LEU B 200 57.820 0.132 39.609 1.00 33.79 H new ATOM 0 HB3 LEU B 200 56.365 0.683 39.705 1.00 33.79 H new ATOM 0 HG LEU B 200 58.638 1.796 40.810 1.00 35.91 H new ATOM 0 HD11 LEU B 200 57.712 3.613 39.505 1.00 37.16 H new ATOM 0 HD12 LEU B 200 57.846 2.339 38.574 1.00 37.16 H new ATOM 0 HD13 LEU B 200 56.439 2.726 39.188 1.00 37.16 H new ATOM 0 HD21 LEU B 200 57.436 3.273 42.020 1.00 31.55 H new ATOM 0 HD22 LEU B 200 56.097 2.497 41.680 1.00 31.55 H new ATOM 0 HD23 LEU B 200 57.208 1.807 42.573 1.00 31.55 H new ATOM 1546 N ASN B 201 54.564 -1.341 40.745 1.00 27.88 N ATOM 1547 CA ASN B 201 53.562 -2.112 40.050 1.00 24.78 C ATOM 1548 C ASN B 201 52.256 -1.391 40.312 1.00 22.49 C ATOM 1549 O ASN B 201 52.187 -0.470 41.124 1.00 25.59 O ATOM 1550 CB ASN B 201 53.521 -3.553 40.609 1.00 26.45 C ATOM 1551 CG ASN B 201 53.233 -3.731 42.109 1.00 26.26 C ATOM 1552 OD1 ASN B 201 52.069 -3.896 42.509 1.00 28.35 O ATOM 1553 ND2 ASN B 201 54.216 -3.705 43.009 1.00 24.48 N ATOM 0 H ASN B 201 54.252 -0.860 41.386 1.00 27.88 H new ATOM 0 HA ASN B 201 53.744 -2.185 39.100 1.00 24.78 H new ATOM 0 HB2 ASN B 201 52.847 -4.045 40.115 1.00 26.45 H new ATOM 0 HB3 ASN B 201 54.375 -3.972 40.417 1.00 26.45 H new ATOM 0 HD21 ASN B 201 54.037 -3.801 43.845 1.00 24.48 H new ATOM 0 HD22 ASN B 201 55.030 -3.592 42.754 1.00 24.48 H new ATOM 1557 N VAL B 202 51.182 -1.680 39.611 1.00 20.79 N ATOM 1558 CA VAL B 202 49.921 -1.012 39.836 1.00 19.43 C ATOM 1559 C VAL B 202 48.974 -2.121 40.274 1.00 19.65 C ATOM 1560 O VAL B 202 49.048 -3.162 39.643 1.00 22.36 O ATOM 1561 CB VAL B 202 49.529 -0.324 38.488 1.00 18.12 C ATOM 1562 CG1 VAL B 202 48.071 0.182 38.452 1.00 10.29 C ATOM 1563 CG2 VAL B 202 50.436 0.893 38.304 1.00 17.03 C ATOM 0 H VAL B 202 51.162 -2.272 38.988 1.00 20.79 H new ATOM 0 HA VAL B 202 49.921 -0.317 40.512 1.00 19.43 H new ATOM 0 HB VAL B 202 49.627 -0.989 37.789 1.00 18.12 H new ATOM 0 HG11 VAL B 202 47.893 0.596 37.593 1.00 10.29 H new ATOM 0 HG12 VAL B 202 47.466 -0.565 38.582 1.00 10.29 H new ATOM 0 HG13 VAL B 202 47.937 0.833 39.158 1.00 10.29 H new ATOM 0 HG21 VAL B 202 50.213 1.340 37.472 1.00 17.03 H new ATOM 0 HG22 VAL B 202 50.309 1.507 39.044 1.00 17.03 H new ATOM 0 HG23 VAL B 202 51.362 0.606 38.278 1.00 17.03 H new ATOM 1565 N LYS B 203 48.095 -1.994 41.294 1.00 20.40 N ATOM 1566 CA LYS B 203 47.094 -2.974 41.717 1.00 16.26 C ATOM 1567 C LYS B 203 45.782 -2.392 41.190 1.00 15.35 C ATOM 1568 O LYS B 203 45.587 -1.160 41.116 1.00 17.22 O ATOM 1569 CB LYS B 203 47.030 -3.026 43.204 1.00 17.55 C ATOM 1570 CG LYS B 203 48.338 -3.173 44.040 1.00 18.66 C ATOM 1571 CD LYS B 203 48.546 -4.640 44.320 1.00 24.17 C ATOM 1572 CE LYS B 203 49.556 -4.931 45.421 1.00 24.67 C ATOM 1573 NZ LYS B 203 50.920 -4.572 45.061 1.00 33.74 N ATOM 0 H LYS B 203 48.076 -1.285 41.780 1.00 20.40 H new ATOM 0 HA LYS B 203 47.285 -3.869 41.396 1.00 16.26 H new ATOM 0 HB2 LYS B 203 46.588 -2.215 43.501 1.00 17.55 H new ATOM 0 HB3 LYS B 203 46.452 -3.768 43.441 1.00 17.55 H new ATOM 0 HG2 LYS B 203 49.095 -2.809 43.554 1.00 18.66 H new ATOM 0 HG3 LYS B 203 48.268 -2.675 44.870 1.00 18.66 H new ATOM 0 HD2 LYS B 203 47.695 -5.036 44.564 1.00 24.17 H new ATOM 0 HD3 LYS B 203 48.838 -5.076 43.504 1.00 24.17 H new ATOM 0 HE2 LYS B 203 49.301 -4.446 46.221 1.00 24.67 H new ATOM 0 HE3 LYS B 203 49.524 -5.876 45.639 1.00 24.67 H new ATOM 0 HZ1 LYS B 203 51.484 -5.172 45.398 1.00 33.74 H new ATOM 0 HZ2 LYS B 203 50.999 -4.556 44.175 1.00 33.74 H new ATOM 0 HZ3 LYS B 203 51.112 -3.768 45.390 1.00 33.74 H new ATOM 1578 N HIS B 204 44.862 -3.220 40.729 1.00 14.35 N ATOM 1579 CA HIS B 204 43.612 -2.749 40.153 1.00 12.81 C ATOM 1580 C HIS B 204 42.523 -3.332 41.018 1.00 14.65 C ATOM 1581 O HIS B 204 42.543 -4.563 41.165 1.00 14.92 O ATOM 1582 CB HIS B 204 43.393 -3.254 38.717 1.00 14.35 C ATOM 1583 CG HIS B 204 44.337 -2.581 37.751 1.00 15.75 C ATOM 1584 ND1 HIS B 204 44.228 -1.388 37.142 1.00 18.35 N ATOM 1585 CD2 HIS B 204 45.525 -3.153 37.396 1.00 13.14 C ATOM 1586 CE1 HIS B 204 45.331 -1.240 36.441 1.00 15.45 C ATOM 1587 NE2 HIS B 204 46.085 -2.311 36.595 1.00 15.32 N ATOM 0 H HIS B 204 44.943 -4.076 40.740 1.00 14.35 H new ATOM 0 HA HIS B 204 43.617 -1.780 40.120 1.00 12.81 H new ATOM 0 HB2 HIS B 204 43.525 -4.214 38.686 1.00 14.35 H new ATOM 0 HB3 HIS B 204 42.476 -3.085 38.448 1.00 14.35 H new ATOM 0 HD2 HIS B 204 45.860 -3.975 37.673 1.00 13.14 H new ATOM 0 HE1 HIS B 204 45.545 -0.499 35.921 1.00 15.45 H new ATOM 0 HE2 HIS B 204 46.846 -2.432 36.213 1.00 15.32 H new ATOM 1591 N TYR B 205 41.605 -2.505 41.569 1.00 12.56 N ATOM 1592 CA TYR B 205 40.554 -2.981 42.449 1.00 11.98 C ATOM 1593 C TYR B 205 39.211 -2.736 41.813 1.00 14.85 C ATOM 1594 O TYR B 205 38.921 -1.584 41.510 1.00 18.21 O ATOM 1595 CB TYR B 205 40.627 -2.249 43.778 1.00 11.66 C ATOM 1596 CG TYR B 205 41.935 -2.494 44.546 1.00 8.54 C ATOM 1597 CD1 TYR B 205 42.049 -3.635 45.345 1.00 10.64 C ATOM 1598 CD2 TYR B 205 42.980 -1.606 44.441 1.00 8.38 C ATOM 1599 CE1 TYR B 205 43.216 -3.887 46.054 1.00 12.03 C ATOM 1600 CE2 TYR B 205 44.165 -1.848 45.134 1.00 7.74 C ATOM 1601 CZ TYR B 205 44.255 -2.982 45.928 1.00 12.97 C ATOM 1602 OH TYR B 205 45.380 -3.168 46.690 1.00 16.73 O ATOM 0 H TYR B 205 41.589 -1.656 41.433 1.00 12.56 H new ATOM 0 HA TYR B 205 40.671 -3.932 42.599 1.00 11.98 H new ATOM 0 HB2 TYR B 205 40.527 -1.297 43.620 1.00 11.66 H new ATOM 0 HB3 TYR B 205 39.880 -2.524 44.332 1.00 11.66 H new ATOM 0 HD1 TYR B 205 41.337 -4.231 45.402 1.00 10.64 H new ATOM 0 HD2 TYR B 205 42.896 -0.847 43.910 1.00 8.38 H new ATOM 0 HE1 TYR B 205 43.297 -4.639 46.595 1.00 12.03 H new ATOM 0 HE2 TYR B 205 44.882 -1.260 45.065 1.00 7.74 H new ATOM 0 HH TYR B 205 45.973 -2.623 46.452 1.00 16.73 H new ATOM 1605 N LYS B 206 38.390 -3.725 41.469 1.00 14.25 N ATOM 1606 CA LYS B 206 37.099 -3.445 40.863 1.00 12.93 C ATOM 1607 C LYS B 206 36.162 -2.762 41.870 1.00 12.64 C ATOM 1608 O LYS B 206 36.269 -3.029 43.060 1.00 11.65 O ATOM 1609 CB LYS B 206 36.596 -4.776 40.336 1.00 12.53 C ATOM 1610 CG LYS B 206 35.259 -4.583 39.682 1.00 20.19 C ATOM 1611 CD LYS B 206 34.918 -5.801 38.896 1.00 27.05 C ATOM 1612 CE LYS B 206 35.934 -5.971 37.766 1.00 32.73 C ATOM 1613 NZ LYS B 206 35.742 -7.200 37.018 1.00 35.14 N ATOM 0 H LYS B 206 38.563 -4.560 41.579 1.00 14.25 H new ATOM 0 HA LYS B 206 37.153 -2.813 40.129 1.00 12.93 H new ATOM 0 HB2 LYS B 206 37.229 -5.142 39.699 1.00 12.53 H new ATOM 0 HB3 LYS B 206 36.522 -5.415 41.062 1.00 12.53 H new ATOM 0 HG2 LYS B 206 34.579 -4.418 40.354 1.00 20.19 H new ATOM 0 HG3 LYS B 206 35.280 -3.806 39.102 1.00 20.19 H new ATOM 0 HD2 LYS B 206 34.924 -6.582 39.471 1.00 27.05 H new ATOM 0 HD3 LYS B 206 34.022 -5.724 38.531 1.00 27.05 H new ATOM 0 HE2 LYS B 206 35.868 -5.215 37.161 1.00 32.73 H new ATOM 0 HE3 LYS B 206 36.830 -5.960 38.138 1.00 32.73 H new ATOM 0 HZ1 LYS B 206 36.397 -7.290 36.422 1.00 35.14 H new ATOM 0 HZ2 LYS B 206 35.753 -7.893 37.577 1.00 35.14 H new ATOM 0 HZ3 LYS B 206 34.959 -7.172 36.596 1.00 35.14 H new ATOM 1618 N ILE B 207 35.257 -1.872 41.468 1.00 13.48 N ATOM 1619 CA ILE B 207 34.338 -1.175 42.374 1.00 12.84 C ATOM 1620 C ILE B 207 33.011 -1.539 41.750 1.00 12.81 C ATOM 1621 O ILE B 207 32.817 -1.324 40.554 1.00 15.33 O ATOM 1622 CB ILE B 207 34.550 0.412 42.351 1.00 14.66 C ATOM 1623 CG1 ILE B 207 35.976 0.825 42.825 1.00 8.90 C ATOM 1624 CG2 ILE B 207 33.516 1.039 43.236 1.00 10.95 C ATOM 1625 CD1 ILE B 207 36.404 2.305 42.689 1.00 5.78 C ATOM 0 H ILE B 207 35.156 -1.650 40.643 1.00 13.48 H new ATOM 0 HA ILE B 207 34.444 -1.420 43.306 1.00 12.84 H new ATOM 0 HB ILE B 207 34.457 0.722 41.436 1.00 14.66 H new ATOM 0 HG12 ILE B 207 36.058 0.580 43.760 1.00 8.90 H new ATOM 0 HG13 ILE B 207 36.617 0.287 42.334 1.00 8.90 H new ATOM 0 HG21 ILE B 207 33.629 2.002 43.234 1.00 10.95 H new ATOM 0 HG22 ILE B 207 32.631 0.817 42.907 1.00 10.95 H new ATOM 0 HG23 ILE B 207 33.618 0.704 44.140 1.00 10.95 H new ATOM 0 HD11 ILE B 207 37.309 2.412 43.022 1.00 5.78 H new ATOM 0 HD12 ILE B 207 36.370 2.568 41.756 1.00 5.78 H new ATOM 0 HD13 ILE B 207 35.802 2.865 43.204 1.00 5.78 H new ATOM 1627 N ARG B 208 32.126 -2.185 42.477 1.00 11.48 N ATOM 1628 CA ARG B 208 30.830 -2.599 41.990 1.00 13.20 C ATOM 1629 C ARG B 208 29.750 -1.682 42.506 1.00 16.99 C ATOM 1630 O ARG B 208 29.782 -1.225 43.647 1.00 18.04 O ATOM 1631 CB ARG B 208 30.501 -3.952 42.481 1.00 18.48 C ATOM 1632 CG ARG B 208 31.401 -5.143 42.170 1.00 20.32 C ATOM 1633 CD ARG B 208 31.239 -5.760 40.849 1.00 17.18 C ATOM 1634 NE ARG B 208 32.026 -6.968 40.885 1.00 21.42 N ATOM 1635 CZ ARG B 208 31.874 -7.874 39.921 1.00 24.30 C ATOM 1636 NH1 ARG B 208 30.971 -7.626 38.956 1.00 28.66 N ATOM 1637 NH2 ARG B 208 32.689 -8.932 39.839 1.00 23.56 N ATOM 0 H ARG B 208 32.267 -2.403 43.297 1.00 11.48 H new ATOM 0 HA ARG B 208 30.870 -2.578 41.021 1.00 13.20 H new ATOM 0 HB2 ARG B 208 30.431 -3.894 43.447 1.00 18.48 H new ATOM 0 HB3 ARG B 208 29.617 -4.169 42.145 1.00 18.48 H new ATOM 0 HG2 ARG B 208 32.324 -4.858 42.261 1.00 20.32 H new ATOM 0 HG3 ARG B 208 31.247 -5.824 42.844 1.00 20.32 H new ATOM 0 HD2 ARG B 208 30.307 -5.957 40.668 1.00 17.18 H new ATOM 0 HD3 ARG B 208 31.545 -5.165 40.146 1.00 17.18 H new ATOM 0 HE ARG B 208 32.588 -7.102 41.522 1.00 21.42 H new ATOM 0 HH11 ARG B 208 30.512 -6.899 38.973 1.00 28.66 H new ATOM 0 HH12 ARG B 208 30.853 -8.194 38.321 1.00 28.66 H new ATOM 0 HH21 ARG B 208 33.321 -9.034 40.413 1.00 23.56 H new ATOM 0 HH22 ARG B 208 32.581 -9.510 39.212 1.00 23.56 H new ATOM 1644 N LYS B 209 28.756 -1.460 41.675 1.00 22.81 N ATOM 1645 CA LYS B 209 27.689 -0.564 42.007 1.00 26.58 C ATOM 1646 C LYS B 209 26.532 -1.440 42.395 1.00 27.86 C ATOM 1647 O LYS B 209 26.166 -2.298 41.605 1.00 27.04 O ATOM 1648 CB LYS B 209 27.356 0.233 40.806 1.00 28.54 C ATOM 1649 CG LYS B 209 26.335 1.270 41.150 1.00 35.26 C ATOM 1650 CD LYS B 209 26.205 1.827 39.793 1.00 42.05 C ATOM 1651 CE LYS B 209 25.366 3.062 39.873 1.00 51.07 C ATOM 1652 NZ LYS B 209 25.425 3.677 38.550 1.00 60.52 N ATOM 0 H LYS B 209 28.685 -1.828 40.901 1.00 22.81 H new ATOM 0 HA LYS B 209 27.918 0.048 42.724 1.00 26.58 H new ATOM 0 HB2 LYS B 209 28.156 0.658 40.458 1.00 28.54 H new ATOM 0 HB3 LYS B 209 27.016 -0.347 40.107 1.00 28.54 H new ATOM 0 HG2 LYS B 209 25.508 0.897 41.494 1.00 35.26 H new ATOM 0 HG3 LYS B 209 26.647 1.916 41.803 1.00 35.26 H new ATOM 0 HD2 LYS B 209 27.079 2.035 39.428 1.00 42.05 H new ATOM 0 HD3 LYS B 209 25.796 1.178 39.199 1.00 42.05 H new ATOM 0 HE2 LYS B 209 24.452 2.845 40.114 1.00 51.07 H new ATOM 0 HE3 LYS B 209 25.703 3.667 40.552 1.00 51.07 H new ATOM 0 HZ1 LYS B 209 24.937 4.421 38.546 1.00 60.52 H new ATOM 0 HZ2 LYS B 209 26.270 3.875 38.352 1.00 60.52 H new ATOM 0 HZ3 LYS B 209 25.104 3.110 37.944 1.00 60.52 H new ATOM 1657 N LEU B 210 25.992 -1.327 43.583 1.00 27.42 N ATOM 1658 CA LEU B 210 24.839 -2.068 44.017 1.00 30.54 C ATOM 1659 C LEU B 210 23.605 -1.531 43.290 1.00 34.03 C ATOM 1660 O LEU B 210 23.546 -0.328 43.029 1.00 35.10 O ATOM 1661 CB LEU B 210 24.692 -1.894 45.511 1.00 30.26 C ATOM 1662 CG LEU B 210 25.729 -2.608 46.362 1.00 32.60 C ATOM 1663 CD1 LEU B 210 25.885 -1.973 47.747 1.00 32.71 C ATOM 1664 CD2 LEU B 210 25.307 -4.043 46.436 1.00 30.63 C ATOM 0 H LEU B 210 26.299 -0.794 44.184 1.00 27.42 H new ATOM 0 HA LEU B 210 24.937 -3.011 43.814 1.00 30.54 H new ATOM 0 HB2 LEU B 210 24.727 -0.946 45.715 1.00 30.26 H new ATOM 0 HB3 LEU B 210 23.812 -2.208 45.772 1.00 30.26 H new ATOM 0 HG LEU B 210 26.609 -2.533 45.960 1.00 32.60 H new ATOM 0 HD11 LEU B 210 26.554 -2.460 48.253 1.00 32.71 H new ATOM 0 HD12 LEU B 210 26.162 -1.049 47.650 1.00 32.71 H new ATOM 0 HD13 LEU B 210 25.037 -2.008 48.217 1.00 32.71 H new ATOM 0 HD21 LEU B 210 25.944 -4.540 46.973 1.00 30.63 H new ATOM 0 HD22 LEU B 210 24.428 -4.101 46.841 1.00 30.63 H new ATOM 0 HD23 LEU B 210 25.276 -4.418 45.542 1.00 30.63 H new ATOM 1666 N ASP B 211 22.571 -2.334 43.005 1.00 37.51 N ATOM 1667 CA ASP B 211 21.382 -1.868 42.296 1.00 41.30 C ATOM 1668 C ASP B 211 20.626 -0.753 43.025 1.00 42.54 C ATOM 1669 O ASP B 211 20.046 0.126 42.391 1.00 42.62 O ATOM 1670 CB ASP B 211 20.470 -3.063 42.057 1.00 42.68 C ATOM 0 H ASP B 211 22.544 -3.166 43.220 1.00 37.51 H new ATOM 0 HA ASP B 211 21.672 -1.476 41.458 1.00 41.30 H new ATOM 1672 N SER B 212 20.639 -0.782 44.363 1.00 42.91 N ATOM 1673 CA SER B 212 20.062 0.290 45.165 1.00 43.70 C ATOM 1674 C SER B 212 20.823 1.583 44.913 1.00 42.94 C ATOM 1675 O SER B 212 20.216 2.639 45.001 1.00 45.01 O ATOM 1676 CB SER B 212 20.123 -0.042 46.656 1.00 45.96 C ATOM 1677 OG SER B 212 21.380 -0.577 47.064 1.00 51.94 O ATOM 0 H SER B 212 20.982 -1.422 44.824 1.00 42.91 H new ATOM 0 HA SER B 212 19.132 0.392 44.907 1.00 43.70 H new ATOM 0 HB2 SER B 212 19.939 0.761 47.168 1.00 45.96 H new ATOM 0 HB3 SER B 212 19.423 -0.679 46.868 1.00 45.96 H new ATOM 0 HG SER B 212 21.361 -0.740 47.888 1.00 51.94 H new ATOM 1680 N GLY B 213 22.128 1.523 44.566 1.00 42.14 N ATOM 1681 CA GLY B 213 22.896 2.718 44.243 1.00 39.66 C ATOM 1682 C GLY B 213 24.362 2.782 44.695 1.00 36.74 C ATOM 1683 O GLY B 213 25.185 3.292 43.927 1.00 38.51 O ATOM 0 H GLY B 213 22.576 0.791 44.516 1.00 42.14 H new ATOM 0 HA2 GLY B 213 22.878 2.831 43.280 1.00 39.66 H new ATOM 0 HA3 GLY B 213 22.434 3.480 44.627 1.00 39.66 H new ATOM 1685 N GLY B 214 24.683 2.260 45.886 1.00 29.40 N ATOM 1686 CA GLY B 214 26.004 2.399 46.469 1.00 23.14 C ATOM 1687 C GLY B 214 27.113 1.667 45.744 1.00 20.54 C ATOM 1688 O GLY B 214 26.883 0.959 44.760 1.00 19.22 O ATOM 0 H GLY B 214 24.131 1.815 46.373 1.00 29.40 H new ATOM 0 HA2 GLY B 214 26.228 3.342 46.504 1.00 23.14 H new ATOM 0 HA3 GLY B 214 25.972 2.081 47.385 1.00 23.14 H new ATOM 1690 N PHE B 215 28.342 1.792 46.281 1.00 18.55 N ATOM 1691 CA PHE B 215 29.539 1.206 45.702 1.00 13.60 C ATOM 1692 C PHE B 215 30.321 0.404 46.706 1.00 11.54 C ATOM 1693 O PHE B 215 30.326 0.794 47.865 1.00 12.89 O ATOM 1694 CB PHE B 215 30.421 2.322 45.173 1.00 14.85 C ATOM 1695 CG PHE B 215 29.822 3.117 44.023 1.00 11.03 C ATOM 1696 CD1 PHE B 215 29.990 2.657 42.734 1.00 10.87 C ATOM 1697 CD2 PHE B 215 29.043 4.227 44.283 1.00 10.68 C ATOM 1698 CE1 PHE B 215 29.398 3.354 41.704 1.00 15.02 C ATOM 1699 CE2 PHE B 215 28.450 4.924 43.243 1.00 10.10 C ATOM 1700 CZ PHE B 215 28.599 4.475 41.952 1.00 11.61 C ATOM 0 H PHE B 215 28.492 2.230 47.005 1.00 18.55 H new ATOM 0 HA PHE B 215 29.264 0.606 44.991 1.00 13.60 H new ATOM 0 HB2 PHE B 215 30.622 2.931 45.901 1.00 14.85 H new ATOM 0 HB3 PHE B 215 31.264 1.941 44.882 1.00 14.85 H new ATOM 0 HD1 PHE B 215 30.492 1.893 42.564 1.00 10.87 H new ATOM 0 HD2 PHE B 215 28.916 4.508 45.160 1.00 10.68 H new ATOM 0 HE1 PHE B 215 29.532 3.074 40.827 1.00 15.02 H new ATOM 0 HE2 PHE B 215 27.954 5.691 43.417 1.00 10.10 H new ATOM 0 HZ PHE B 215 28.173 4.912 41.251 1.00 11.61 H new ATOM 1702 N TYR B 216 31.015 -0.673 46.345 1.00 12.65 N ATOM 1703 CA TYR B 216 31.839 -1.362 47.301 1.00 10.19 C ATOM 1704 C TYR B 216 33.067 -1.960 46.616 1.00 14.57 C ATOM 1705 O TYR B 216 33.058 -2.162 45.404 1.00 12.65 O ATOM 1706 CB TYR B 216 31.037 -2.461 47.977 1.00 5.59 C ATOM 1707 CG TYR B 216 30.604 -3.620 47.085 1.00 9.46 C ATOM 1708 CD1 TYR B 216 31.491 -4.671 46.778 1.00 10.17 C ATOM 1709 CD2 TYR B 216 29.306 -3.650 46.571 1.00 10.95 C ATOM 1710 CE1 TYR B 216 31.087 -5.733 45.966 1.00 9.81 C ATOM 1711 CE2 TYR B 216 28.902 -4.724 45.754 1.00 12.03 C ATOM 1712 CZ TYR B 216 29.795 -5.744 45.464 1.00 10.68 C ATOM 1713 OH TYR B 216 29.382 -6.775 44.666 1.00 17.57 O ATOM 0 H TYR B 216 31.016 -1.011 45.554 1.00 12.65 H new ATOM 0 HA TYR B 216 32.137 -0.726 47.970 1.00 10.19 H new ATOM 0 HB2 TYR B 216 31.565 -2.819 48.708 1.00 5.59 H new ATOM 0 HB3 TYR B 216 30.243 -2.064 48.368 1.00 5.59 H new ATOM 0 HD1 TYR B 216 32.356 -4.657 47.120 1.00 10.17 H new ATOM 0 HD2 TYR B 216 28.710 -2.963 46.767 1.00 10.95 H new ATOM 0 HE1 TYR B 216 31.677 -6.423 45.765 1.00 9.81 H new ATOM 0 HE2 TYR B 216 28.038 -4.749 45.410 1.00 12.03 H new ATOM 0 HH TYR B 216 28.583 -6.651 44.438 1.00 17.57 H new ATOM 1716 N ILE B 217 34.153 -2.139 47.376 1.00 13.02 N ATOM 1717 CA ILE B 217 35.326 -2.893 46.997 1.00 11.23 C ATOM 1718 C ILE B 217 35.247 -4.082 47.964 1.00 14.59 C ATOM 1719 O ILE B 217 35.518 -5.194 47.512 1.00 16.22 O ATOM 1720 CB ILE B 217 36.637 -2.093 47.215 1.00 13.53 C ATOM 1721 CG1 ILE B 217 36.708 -0.985 46.168 1.00 8.55 C ATOM 1722 CG2 ILE B 217 37.884 -3.004 47.043 1.00 8.93 C ATOM 1723 CD1 ILE B 217 37.896 -0.038 46.338 1.00 2.50 C ATOM 0 H ILE B 217 34.217 -1.802 48.165 1.00 13.02 H new ATOM 0 HA ILE B 217 35.342 -3.132 46.057 1.00 11.23 H new ATOM 0 HB ILE B 217 36.633 -1.732 48.115 1.00 13.53 H new ATOM 0 HG12 ILE B 217 36.752 -1.389 45.287 1.00 8.55 H new ATOM 0 HG13 ILE B 217 35.888 -0.468 46.202 1.00 8.55 H new ATOM 0 HG21 ILE B 217 38.689 -2.481 47.184 1.00 8.93 H new ATOM 0 HG22 ILE B 217 37.850 -3.725 47.691 1.00 8.93 H new ATOM 0 HG23 ILE B 217 37.893 -3.375 46.147 1.00 8.93 H new ATOM 0 HD11 ILE B 217 37.875 0.636 45.641 1.00 2.50 H new ATOM 0 HD12 ILE B 217 37.845 0.393 47.205 1.00 2.50 H new ATOM 0 HD13 ILE B 217 38.723 -0.541 46.276 1.00 2.50 H new ATOM 1725 N THR B 218 34.872 -4.006 49.267 1.00 14.87 N ATOM 1726 CA THR B 218 34.812 -5.188 50.128 1.00 12.95 C ATOM 1727 C THR B 218 33.541 -5.271 50.943 1.00 15.68 C ATOM 1728 O THR B 218 32.808 -4.281 50.995 1.00 20.69 O ATOM 1729 CB THR B 218 35.929 -5.270 51.159 1.00 12.32 C ATOM 1730 OG1 THR B 218 35.644 -4.274 52.132 1.00 12.44 O ATOM 1731 CG2 THR B 218 37.331 -5.044 50.556 1.00 11.51 C ATOM 0 H THR B 218 34.651 -3.273 49.658 1.00 14.87 H new ATOM 0 HA THR B 218 34.880 -5.908 49.481 1.00 12.95 H new ATOM 0 HB THR B 218 35.954 -6.162 51.539 1.00 12.32 H new ATOM 0 HG1 THR B 218 36.311 -3.771 52.222 1.00 12.44 H new ATOM 0 HG21 THR B 218 37.999 -5.108 51.257 1.00 11.51 H new ATOM 0 HG22 THR B 218 37.506 -5.718 49.881 1.00 11.51 H new ATOM 0 HG23 THR B 218 37.371 -4.164 50.151 1.00 11.51 H new ATOM 1734 N SER B 219 33.222 -6.327 51.674 1.00 15.16 N ATOM 1735 CA SER B 219 31.999 -6.448 52.443 1.00 14.17 C ATOM 1736 C SER B 219 32.004 -5.654 53.717 1.00 15.02 C ATOM 1737 O SER B 219 31.021 -5.629 54.469 1.00 14.93 O ATOM 1738 CB SER B 219 31.803 -7.861 52.804 1.00 13.17 C ATOM 1739 OG SER B 219 33.017 -8.288 53.445 1.00 15.83 O ATOM 0 H SER B 219 33.731 -7.017 51.737 1.00 15.16 H new ATOM 0 HA SER B 219 31.288 -6.101 51.882 1.00 14.17 H new ATOM 0 HB2 SER B 219 31.044 -7.964 53.399 1.00 13.17 H new ATOM 0 HB3 SER B 219 31.621 -8.397 52.016 1.00 13.17 H new ATOM 0 HG SER B 219 32.947 -9.094 53.670 1.00 15.83 H new ATOM 1742 N ARG B 220 33.163 -5.119 54.090 1.00 17.69 N ATOM 1743 CA ARG B 220 33.201 -4.341 55.290 1.00 18.83 C ATOM 1744 C ARG B 220 32.499 -3.020 55.126 1.00 19.69 C ATOM 1745 O ARG B 220 31.699 -2.761 56.018 1.00 24.13 O ATOM 1746 CB ARG B 220 34.614 -4.136 55.654 1.00 21.18 C ATOM 1747 CG ARG B 220 34.752 -3.682 57.079 1.00 26.09 C ATOM 1748 CD ARG B 220 36.225 -3.531 57.129 1.00 30.38 C ATOM 1749 NE ARG B 220 36.663 -3.637 58.493 1.00 37.29 N ATOM 1750 CZ ARG B 220 36.995 -2.595 59.256 1.00 40.25 C ATOM 1751 NH1 ARG B 220 36.894 -1.349 58.745 1.00 43.84 N ATOM 1752 NH2 ARG B 220 37.470 -2.856 60.498 1.00 42.06 N ATOM 0 H ARG B 220 33.909 -5.198 53.669 1.00 17.69 H new ATOM 0 HA ARG B 220 32.733 -4.816 55.994 1.00 18.83 H new ATOM 0 HB2 ARG B 220 35.106 -4.962 55.527 1.00 21.18 H new ATOM 0 HB3 ARG B 220 35.010 -3.477 55.063 1.00 21.18 H new ATOM 0 HG2 ARG B 220 34.283 -2.851 57.255 1.00 26.09 H new ATOM 0 HG3 ARG B 220 34.420 -4.335 57.715 1.00 26.09 H new ATOM 0 HD2 ARG B 220 36.650 -4.214 56.587 1.00 30.38 H new ATOM 0 HD3 ARG B 220 36.486 -2.673 56.760 1.00 30.38 H new ATOM 0 HE ARG B 220 36.714 -4.422 58.840 1.00 37.29 H new ATOM 0 HH11 ARG B 220 36.619 -1.236 57.938 1.00 43.84 H new ATOM 0 HH12 ARG B 220 37.105 -0.668 59.227 1.00 43.84 H new ATOM 0 HH21 ARG B 220 37.547 -3.669 60.767 1.00 42.06 H new ATOM 0 HH22 ARG B 220 37.694 -2.208 61.018 1.00 42.06 H new ATOM 1759 N THR B 221 32.590 -2.204 54.080 1.00 19.61 N ATOM 1760 CA THR B 221 31.947 -0.896 54.051 1.00 18.82 C ATOM 1761 C THR B 221 31.432 -0.699 52.606 1.00 16.19 C ATOM 1762 O THR B 221 32.001 -1.226 51.644 1.00 15.26 O ATOM 1763 CB THR B 221 32.962 0.312 54.415 1.00 20.56 C ATOM 1764 OG1 THR B 221 33.959 0.167 53.434 1.00 28.34 O ATOM 1765 CG2 THR B 221 33.775 0.306 55.703 1.00 21.24 C ATOM 0 H THR B 221 33.028 -2.395 53.365 1.00 19.61 H new ATOM 0 HA THR B 221 31.240 -0.873 54.715 1.00 18.82 H new ATOM 0 HB THR B 221 32.396 1.096 54.486 1.00 20.56 H new ATOM 0 HG1 THR B 221 34.018 0.876 52.987 1.00 28.34 H new ATOM 0 HG21 THR B 221 34.321 1.107 55.745 1.00 21.24 H new ATOM 0 HG22 THR B 221 33.175 0.284 56.465 1.00 21.24 H new ATOM 0 HG23 THR B 221 34.348 -0.477 55.721 1.00 21.24 H new ATOM 1768 N GLN B 222 30.411 0.127 52.418 1.00 15.62 N ATOM 1769 CA GLN B 222 29.784 0.444 51.135 1.00 18.63 C ATOM 1770 C GLN B 222 29.630 1.958 51.265 1.00 15.10 C ATOM 1771 O GLN B 222 29.510 2.486 52.351 1.00 10.70 O ATOM 1772 CB GLN B 222 28.390 -0.062 50.978 1.00 28.08 C ATOM 1773 CG GLN B 222 28.289 -1.465 51.475 1.00 47.60 C ATOM 1774 CD GLN B 222 26.899 -1.866 51.933 1.00 56.65 C ATOM 1775 OE1 GLN B 222 26.754 -2.943 52.518 1.00 66.59 O ATOM 1776 NE2 GLN B 222 25.837 -1.055 51.852 1.00 59.14 N ATOM 0 H GLN B 222 30.041 0.544 53.073 1.00 15.62 H new ATOM 0 HA GLN B 222 30.302 0.073 50.404 1.00 18.63 H new ATOM 0 HB2 GLN B 222 27.776 0.506 51.469 1.00 28.08 H new ATOM 0 HB3 GLN B 222 28.128 -0.023 50.045 1.00 28.08 H new ATOM 0 HG2 GLN B 222 28.572 -2.068 50.770 1.00 47.60 H new ATOM 0 HG3 GLN B 222 28.907 -1.581 52.213 1.00 47.60 H new ATOM 0 HE21 GLN B 222 25.904 -0.297 51.451 1.00 59.14 H new ATOM 0 HE22 GLN B 222 25.088 -1.292 52.201 1.00 59.14 H new ATOM 1780 N PHE B 223 29.570 2.645 50.143 1.00 14.47 N ATOM 1781 CA PHE B 223 29.559 4.087 50.064 1.00 15.73 C ATOM 1782 C PHE B 223 28.384 4.499 49.240 1.00 15.00 C ATOM 1783 O PHE B 223 28.083 3.834 48.260 1.00 16.73 O ATOM 1784 CB PHE B 223 30.817 4.529 49.406 1.00 10.64 C ATOM 1785 CG PHE B 223 31.968 4.058 50.266 1.00 14.60 C ATOM 1786 CD1 PHE B 223 32.313 4.789 51.401 1.00 12.25 C ATOM 1787 CD2 PHE B 223 32.653 2.868 49.961 1.00 14.52 C ATOM 1788 CE1 PHE B 223 33.347 4.331 52.223 1.00 10.34 C ATOM 1789 CE2 PHE B 223 33.680 2.434 50.796 1.00 11.51 C ATOM 1790 CZ PHE B 223 34.025 3.160 51.929 1.00 10.36 C ATOM 0 H PHE B 223 29.533 2.266 49.372 1.00 14.47 H new ATOM 0 HA PHE B 223 29.496 4.486 50.946 1.00 15.73 H new ATOM 0 HB2 PHE B 223 30.884 4.157 48.513 1.00 10.64 H new ATOM 0 HB3 PHE B 223 30.833 5.494 49.313 1.00 10.64 H new ATOM 0 HD1 PHE B 223 31.860 5.574 51.610 1.00 12.25 H new ATOM 0 HD2 PHE B 223 32.422 2.375 49.207 1.00 14.52 H new ATOM 0 HE1 PHE B 223 33.583 4.820 52.978 1.00 10.34 H new ATOM 0 HE2 PHE B 223 34.139 1.651 50.593 1.00 11.51 H new ATOM 0 HZ PHE B 223 34.707 2.861 52.486 1.00 10.36 H new ATOM 1792 N ASN B 224 27.682 5.558 49.571 1.00 14.85 N ATOM 1793 CA ASN B 224 26.544 5.960 48.760 1.00 14.80 C ATOM 1794 C ASN B 224 27.070 6.699 47.544 1.00 14.38 C ATOM 1795 O ASN B 224 26.251 7.037 46.689 1.00 15.22 O ATOM 1796 CB ASN B 224 25.594 6.880 49.480 1.00 11.12 C ATOM 1797 CG ASN B 224 24.735 6.198 50.516 1.00 13.73 C ATOM 1798 OD1 ASN B 224 24.688 6.597 51.664 1.00 19.05 O ATOM 1799 ND2 ASN B 224 23.905 5.274 50.105 1.00 12.51 N ATOM 0 H ASN B 224 27.840 6.058 50.253 1.00 14.85 H new ATOM 0 HA ASN B 224 26.055 5.154 48.530 1.00 14.80 H new ATOM 0 HB2 ASN B 224 26.105 7.583 49.911 1.00 11.12 H new ATOM 0 HB3 ASN B 224 25.017 7.308 48.828 1.00 11.12 H new ATOM 0 HD21 ASN B 224 23.323 4.946 50.647 1.00 12.51 H new ATOM 0 HD22 ASN B 224 23.941 4.994 49.293 1.00 12.51 H new ATOM 1803 N SER B 225 28.389 6.942 47.366 1.00 13.32 N ATOM 1804 CA SER B 225 28.859 7.628 46.182 1.00 14.39 C ATOM 1805 C SER B 225 30.295 7.351 45.980 1.00 14.47 C ATOM 1806 O SER B 225 31.008 7.112 46.950 1.00 18.53 O ATOM 1807 CB SER B 225 28.726 9.134 46.280 1.00 15.53 C ATOM 1808 OG SER B 225 29.496 9.816 47.267 1.00 21.71 O ATOM 0 H SER B 225 29.005 6.714 47.921 1.00 13.32 H new ATOM 0 HA SER B 225 28.310 7.303 45.451 1.00 14.39 H new ATOM 0 HB2 SER B 225 28.955 9.508 45.415 1.00 15.53 H new ATOM 0 HB3 SER B 225 27.791 9.339 46.440 1.00 15.53 H new ATOM 0 HG SER B 225 29.133 9.723 48.019 1.00 21.71 H new ATOM 1811 N LEU B 226 30.769 7.479 44.756 1.00 17.76 N ATOM 1812 CA LEU B 226 32.189 7.251 44.483 1.00 15.31 C ATOM 1813 C LEU B 226 33.124 8.197 45.189 1.00 16.42 C ATOM 1814 O LEU B 226 34.251 7.848 45.494 1.00 22.30 O ATOM 1815 CB LEU B 226 32.511 7.388 43.030 1.00 15.74 C ATOM 1816 CG LEU B 226 32.406 6.241 42.094 1.00 15.12 C ATOM 1817 CD1 LEU B 226 32.781 6.703 40.743 1.00 14.74 C ATOM 1818 CD2 LEU B 226 33.382 5.158 42.458 1.00 17.39 C ATOM 0 H LEU B 226 30.297 7.695 44.070 1.00 17.76 H new ATOM 0 HA LEU B 226 32.327 6.348 44.810 1.00 15.31 H new ATOM 0 HB2 LEU B 226 31.938 8.089 42.681 1.00 15.74 H new ATOM 0 HB3 LEU B 226 33.423 7.713 42.974 1.00 15.74 H new ATOM 0 HG LEU B 226 31.498 5.901 42.133 1.00 15.12 H new ATOM 0 HD11 LEU B 226 32.717 5.963 40.119 1.00 14.74 H new ATOM 0 HD12 LEU B 226 32.181 7.413 40.465 1.00 14.74 H new ATOM 0 HD13 LEU B 226 33.692 7.037 40.756 1.00 14.74 H new ATOM 0 HD21 LEU B 226 33.295 4.421 41.834 1.00 17.39 H new ATOM 0 HD22 LEU B 226 34.285 5.510 42.419 1.00 17.39 H new ATOM 0 HD23 LEU B 226 33.197 4.844 43.357 1.00 17.39 H new ATOM 1820 N GLN B 227 32.757 9.427 45.466 1.00 18.18 N ATOM 1821 CA GLN B 227 33.643 10.352 46.161 1.00 18.21 C ATOM 1822 C GLN B 227 33.659 9.935 47.612 1.00 14.81 C ATOM 1823 O GLN B 227 34.726 10.061 48.203 1.00 17.75 O ATOM 1824 CB GLN B 227 33.107 11.763 45.964 1.00 25.10 C ATOM 1825 CG GLN B 227 33.885 12.937 46.571 1.00 29.71 C ATOM 1826 CD GLN B 227 33.621 13.113 48.060 1.00 32.42 C ATOM 1827 OE1 GLN B 227 32.547 12.852 48.608 1.00 32.28 O ATOM 1828 NE2 GLN B 227 34.589 13.603 48.805 1.00 37.36 N ATOM 0 H GLN B 227 31.990 9.757 45.260 1.00 18.18 H new ATOM 0 HA GLN B 227 34.552 10.337 45.822 1.00 18.21 H new ATOM 0 HB2 GLN B 227 33.035 11.920 45.009 1.00 25.10 H new ATOM 0 HB3 GLN B 227 32.207 11.789 46.324 1.00 25.10 H new ATOM 0 HG2 GLN B 227 34.834 12.798 46.429 1.00 29.71 H new ATOM 0 HG3 GLN B 227 33.645 13.754 46.106 1.00 29.71 H new ATOM 0 HE21 GLN B 227 35.349 13.795 48.451 1.00 37.36 H new ATOM 0 HE22 GLN B 227 34.462 13.732 49.646 1.00 37.36 H new ATOM 1832 N GLN B 228 32.603 9.419 48.223 1.00 11.50 N ATOM 1833 CA GLN B 228 32.774 8.983 49.592 1.00 13.05 C ATOM 1834 C GLN B 228 33.718 7.783 49.661 1.00 13.23 C ATOM 1835 O GLN B 228 34.471 7.668 50.636 1.00 15.34 O ATOM 1836 CB GLN B 228 31.457 8.625 50.195 1.00 11.99 C ATOM 1837 CG GLN B 228 30.604 9.833 50.400 1.00 8.58 C ATOM 1838 CD GLN B 228 29.172 9.412 50.619 1.00 13.86 C ATOM 1839 OE1 GLN B 228 28.369 9.596 49.709 1.00 12.23 O ATOM 1840 NE2 GLN B 228 28.739 8.786 51.708 1.00 10.91 N ATOM 0 H GLN B 228 31.820 9.317 47.883 1.00 11.50 H new ATOM 0 HA GLN B 228 33.162 9.716 50.095 1.00 13.05 H new ATOM 0 HB2 GLN B 228 30.996 7.996 49.618 1.00 11.99 H new ATOM 0 HB3 GLN B 228 31.599 8.180 51.045 1.00 11.99 H new ATOM 0 HG2 GLN B 228 30.922 10.339 51.164 1.00 8.58 H new ATOM 0 HG3 GLN B 228 30.664 10.417 49.628 1.00 8.58 H new ATOM 0 HE21 GLN B 228 29.277 8.642 52.363 1.00 10.91 H new ATOM 0 HE22 GLN B 228 27.921 8.525 51.757 1.00 10.91 H new ATOM 1844 N LEU B 229 33.768 6.900 48.648 1.00 11.89 N ATOM 1845 CA LEU B 229 34.751 5.816 48.586 1.00 12.18 C ATOM 1846 C LEU B 229 36.150 6.384 48.439 1.00 12.83 C ATOM 1847 O LEU B 229 37.077 5.961 49.144 1.00 14.51 O ATOM 1848 CB LEU B 229 34.452 4.874 47.399 1.00 12.20 C ATOM 1849 CG LEU B 229 35.223 3.528 47.227 1.00 12.59 C ATOM 1850 CD1 LEU B 229 34.334 2.484 46.584 1.00 9.03 C ATOM 1851 CD2 LEU B 229 36.515 3.806 46.484 1.00 13.60 C ATOM 0 H LEU B 229 33.228 6.918 47.979 1.00 11.89 H new ATOM 0 HA LEU B 229 34.693 5.310 49.411 1.00 12.18 H new ATOM 0 HB2 LEU B 229 33.507 4.657 47.439 1.00 12.20 H new ATOM 0 HB3 LEU B 229 34.591 5.387 46.587 1.00 12.20 H new ATOM 0 HG LEU B 229 35.467 3.148 48.085 1.00 12.59 H new ATOM 0 HD11 LEU B 229 34.828 1.655 46.485 1.00 9.03 H new ATOM 0 HD12 LEU B 229 33.557 2.332 47.144 1.00 9.03 H new ATOM 0 HD13 LEU B 229 34.047 2.796 45.711 1.00 9.03 H new ATOM 0 HD21 LEU B 229 37.007 2.978 46.369 1.00 13.60 H new ATOM 0 HD22 LEU B 229 36.313 4.185 45.614 1.00 13.60 H new ATOM 0 HD23 LEU B 229 37.053 4.433 46.993 1.00 13.60 H new ATOM 1853 N VAL B 230 36.421 7.370 47.582 1.00 14.29 N ATOM 1854 CA VAL B 230 37.782 7.866 47.475 1.00 11.92 C ATOM 1855 C VAL B 230 38.127 8.577 48.769 1.00 15.51 C ATOM 1856 O VAL B 230 39.222 8.409 49.296 1.00 18.87 O ATOM 1857 CB VAL B 230 37.843 8.752 46.211 1.00 12.04 C ATOM 1858 CG1 VAL B 230 39.206 9.416 46.172 1.00 11.13 C ATOM 1859 CG2 VAL B 230 37.768 7.913 44.925 1.00 5.54 C ATOM 0 H VAL B 230 35.846 7.753 47.070 1.00 14.29 H new ATOM 0 HA VAL B 230 38.448 7.169 47.367 1.00 11.92 H new ATOM 0 HB VAL B 230 37.101 9.376 46.251 1.00 12.04 H new ATOM 0 HG11 VAL B 230 39.269 9.979 45.385 1.00 11.13 H new ATOM 0 HG12 VAL B 230 39.325 9.958 46.968 1.00 11.13 H new ATOM 0 HG13 VAL B 230 39.897 8.736 46.138 1.00 11.13 H new ATOM 0 HG21 VAL B 230 37.809 8.499 44.153 1.00 5.54 H new ATOM 0 HG22 VAL B 230 38.513 7.293 44.899 1.00 5.54 H new ATOM 0 HG23 VAL B 230 36.935 7.417 44.910 1.00 5.54 H new ATOM 1861 N ALA B 231 37.249 9.364 49.393 1.00 16.98 N ATOM 1862 CA ALA B 231 37.504 9.983 50.695 1.00 13.67 C ATOM 1863 C ALA B 231 37.802 8.983 51.831 1.00 17.43 C ATOM 1864 O ALA B 231 38.700 9.206 52.654 1.00 19.44 O ATOM 1865 CB ALA B 231 36.288 10.796 51.071 1.00 10.42 C ATOM 0 H ALA B 231 36.477 9.556 49.066 1.00 16.98 H new ATOM 0 HA ALA B 231 38.303 10.524 50.597 1.00 13.67 H new ATOM 0 HB1 ALA B 231 36.434 11.217 51.933 1.00 10.42 H new ATOM 0 HB2 ALA B 231 36.135 11.479 50.400 1.00 10.42 H new ATOM 0 HB3 ALA B 231 35.513 10.215 51.123 1.00 10.42 H new ATOM 1867 N TYR B 232 37.128 7.829 51.947 1.00 15.59 N ATOM 1868 CA TYR B 232 37.397 6.888 53.002 1.00 11.98 C ATOM 1869 C TYR B 232 38.772 6.282 52.829 1.00 11.17 C ATOM 1870 O TYR B 232 39.593 6.236 53.745 1.00 9.62 O ATOM 1871 CB TYR B 232 36.356 5.819 52.927 1.00 13.99 C ATOM 1872 CG TYR B 232 36.462 4.736 53.991 1.00 15.26 C ATOM 1873 CD1 TYR B 232 35.942 4.993 55.263 1.00 14.91 C ATOM 1874 CD2 TYR B 232 37.078 3.513 53.710 1.00 15.56 C ATOM 1875 CE1 TYR B 232 36.041 4.015 56.241 1.00 17.77 C ATOM 1876 CE2 TYR B 232 37.198 2.535 54.693 1.00 17.18 C ATOM 1877 CZ TYR B 232 36.666 2.792 55.956 1.00 19.49 C ATOM 1878 OH TYR B 232 36.774 1.834 56.946 1.00 29.52 O ATOM 0 H TYR B 232 36.504 7.584 51.408 1.00 15.59 H new ATOM 0 HA TYR B 232 37.373 7.332 53.864 1.00 11.98 H new ATOM 0 HB2 TYR B 232 35.482 6.234 52.994 1.00 13.99 H new ATOM 0 HB3 TYR B 232 36.405 5.400 52.053 1.00 13.99 H new ATOM 0 HD1 TYR B 232 35.536 5.808 55.451 1.00 14.91 H new ATOM 0 HD2 TYR B 232 37.411 3.351 52.857 1.00 15.56 H new ATOM 0 HE1 TYR B 232 35.692 4.170 57.089 1.00 17.77 H new ATOM 0 HE2 TYR B 232 37.623 1.728 54.512 1.00 17.18 H new ATOM 0 HH TYR B 232 37.166 1.157 56.640 1.00 29.52 H new ATOM 1881 N TYR B 233 39.113 5.828 51.633 1.00 11.38 N ATOM 1882 CA TYR B 233 40.358 5.101 51.478 1.00 12.66 C ATOM 1883 C TYR B 233 41.545 5.981 51.373 1.00 13.63 C ATOM 1884 O TYR B 233 42.644 5.466 51.210 1.00 13.98 O ATOM 1885 CB TYR B 233 40.302 4.157 50.272 1.00 11.33 C ATOM 1886 CG TYR B 233 39.346 2.975 50.460 1.00 11.37 C ATOM 1887 CD1 TYR B 233 39.696 1.892 51.307 1.00 13.56 C ATOM 1888 CD2 TYR B 233 38.147 2.915 49.761 1.00 11.10 C ATOM 1889 CE1 TYR B 233 38.864 0.766 51.428 1.00 9.66 C ATOM 1890 CE2 TYR B 233 37.316 1.786 49.883 1.00 10.81 C ATOM 1891 CZ TYR B 233 37.676 0.715 50.717 1.00 11.45 C ATOM 1892 OH TYR B 233 36.833 -0.391 50.813 1.00 11.78 O ATOM 0 H TYR B 233 38.650 5.927 50.915 1.00 11.38 H new ATOM 0 HA TYR B 233 40.460 4.582 52.291 1.00 12.66 H new ATOM 0 HB2 TYR B 233 40.030 4.661 49.489 1.00 11.33 H new ATOM 0 HB3 TYR B 233 41.193 3.817 50.096 1.00 11.33 H new ATOM 0 HD1 TYR B 233 40.490 1.928 51.790 1.00 13.56 H new ATOM 0 HD2 TYR B 233 37.893 3.622 49.212 1.00 11.10 H new ATOM 0 HE1 TYR B 233 39.109 0.060 51.981 1.00 9.66 H new ATOM 0 HE2 TYR B 233 36.519 1.749 49.406 1.00 10.81 H new ATOM 0 HH TYR B 233 36.083 -0.201 50.485 1.00 11.78 H new ATOM 1895 N SER B 234 41.320 7.282 51.442 1.00 13.98 N ATOM 1896 CA SER B 234 42.399 8.246 51.544 1.00 14.15 C ATOM 1897 C SER B 234 42.761 8.267 53.008 1.00 16.20 C ATOM 1898 O SER B 234 43.903 8.509 53.377 1.00 20.96 O ATOM 1899 CB SER B 234 41.938 9.627 51.145 1.00 15.25 C ATOM 1900 OG SER B 234 41.588 9.717 49.759 1.00 22.42 O ATOM 0 H SER B 234 40.534 7.632 51.431 1.00 13.98 H new ATOM 0 HA SER B 234 43.138 8.005 50.963 1.00 14.15 H new ATOM 0 HB2 SER B 234 41.171 9.876 51.685 1.00 15.25 H new ATOM 0 HB3 SER B 234 42.641 10.267 51.339 1.00 15.25 H new ATOM 0 HG SER B 234 40.864 9.313 49.626 1.00 22.42 H new ATOM 1903 N LYS B 235 41.779 7.876 53.874 1.00 17.00 N ATOM 1904 CA LYS B 235 42.157 7.956 55.290 1.00 19.56 C ATOM 1905 C LYS B 235 42.470 6.548 55.847 1.00 18.64 C ATOM 1906 O LYS B 235 43.174 6.401 56.847 1.00 23.43 O ATOM 1907 CB LYS B 235 41.014 8.575 56.107 1.00 14.70 C ATOM 0 H LYS B 235 40.988 7.597 53.683 1.00 17.00 H new ATOM 0 HA LYS B 235 42.948 8.512 55.362 1.00 19.56 H new ATOM 1909 N HIS B 236 41.957 5.496 55.190 1.00 23.63 N ATOM 1910 CA HIS B 236 42.152 4.083 55.661 1.00 20.04 C ATOM 1911 C HIS B 236 42.335 3.094 54.511 1.00 19.03 C ATOM 1912 O HIS B 236 41.468 2.946 53.653 1.00 20.66 O ATOM 1913 CB HIS B 236 40.907 3.581 56.395 1.00 23.65 C ATOM 1914 CG HIS B 236 40.437 4.549 57.449 1.00 30.72 C ATOM 1915 ND1 HIS B 236 40.853 4.440 58.765 1.00 35.66 N ATOM 1916 CD2 HIS B 236 39.618 5.620 57.375 1.00 31.02 C ATOM 1917 CE1 HIS B 236 40.303 5.427 59.440 1.00 36.03 C ATOM 1918 NE2 HIS B 236 39.564 6.143 58.624 1.00 31.41 N ATOM 0 H HIS B 236 41.492 5.565 54.470 1.00 23.63 H new ATOM 0 HA HIS B 236 42.942 4.116 56.223 1.00 20.04 H new ATOM 0 HB2 HIS B 236 40.194 3.432 55.754 1.00 23.65 H new ATOM 0 HB3 HIS B 236 41.100 2.725 56.808 1.00 23.65 H new ATOM 0 HD2 HIS B 236 39.179 5.936 56.618 1.00 31.02 H new ATOM 0 HE1 HIS B 236 40.419 5.591 60.348 1.00 36.03 H new ATOM 0 HE2 HIS B 236 39.113 6.840 58.849 1.00 31.41 H new ATOM 1922 N ALA B 237 43.457 2.397 54.512 1.00 18.10 N ATOM 1923 CA ALA B 237 43.747 1.403 53.456 1.00 17.79 C ATOM 1924 C ALA B 237 42.696 0.263 53.475 1.00 21.69 C ATOM 1925 O ALA B 237 42.228 -0.190 52.421 1.00 22.76 O ATOM 1926 CB ALA B 237 45.137 0.815 53.657 1.00 23.78 C ATOM 0 H ALA B 237 44.072 2.474 55.108 1.00 18.10 H new ATOM 0 HA ALA B 237 43.708 1.852 52.597 1.00 17.79 H new ATOM 0 HB1 ALA B 237 45.317 0.165 52.960 1.00 23.78 H new ATOM 0 HB2 ALA B 237 45.798 1.524 53.616 1.00 23.78 H new ATOM 0 HB3 ALA B 237 45.183 0.381 54.523 1.00 23.78 H new ATOM 1928 N ASP B 238 42.372 -0.182 54.689 1.00 22.06 N ATOM 1929 CA ASP B 238 41.349 -1.239 54.955 1.00 20.47 C ATOM 1930 C ASP B 238 41.439 -2.395 53.951 1.00 17.07 C ATOM 1931 O ASP B 238 40.443 -2.742 53.291 1.00 18.04 O ATOM 1932 CB ASP B 238 39.948 -0.634 54.831 1.00 30.23 C ATOM 1933 CG ASP B 238 38.853 -1.340 55.643 1.00 39.61 C ATOM 1934 OD1 ASP B 238 39.151 -2.022 56.692 1.00 46.58 O ATOM 1935 OD2 ASP B 238 37.620 -1.233 55.272 1.00 45.49 O ATOM 0 H ASP B 238 42.740 0.119 55.405 1.00 22.06 H new ATOM 0 HA ASP B 238 41.517 -1.580 55.848 1.00 20.47 H new ATOM 0 HB2 ASP B 238 39.987 0.295 55.108 1.00 30.23 H new ATOM 0 HB3 ASP B 238 39.691 -0.640 53.896 1.00 30.23 H new ATOM 1937 N GLY B 239 42.631 -2.953 53.873 1.00 12.46 N ATOM 1938 CA GLY B 239 42.920 -4.084 52.984 1.00 14.26 C ATOM 1939 C GLY B 239 43.568 -3.594 51.692 1.00 18.91 C ATOM 1940 O GLY B 239 44.211 -4.373 50.975 1.00 25.44 O ATOM 0 H GLY B 239 43.308 -2.691 54.335 1.00 12.46 H new ATOM 0 HA2 GLY B 239 43.510 -4.711 53.431 1.00 14.26 H new ATOM 0 HA3 GLY B 239 42.100 -4.561 52.781 1.00 14.26 H new ATOM 1942 N LEU B 240 43.404 -2.355 51.166 1.00 20.42 N ATOM 1943 CA LEU B 240 44.144 -1.937 49.965 1.00 17.22 C ATOM 1944 C LEU B 240 45.659 -1.937 50.261 1.00 15.53 C ATOM 1945 O LEU B 240 46.121 -1.875 51.394 1.00 15.54 O ATOM 1946 CB LEU B 240 43.718 -0.527 49.517 1.00 13.76 C ATOM 1947 CG LEU B 240 42.258 -0.197 49.330 1.00 13.64 C ATOM 1948 CD1 LEU B 240 42.171 1.051 48.506 1.00 11.64 C ATOM 1949 CD2 LEU B 240 41.531 -1.272 48.607 1.00 10.92 C ATOM 0 H LEU B 240 42.877 -1.758 51.489 1.00 20.42 H new ATOM 0 HA LEU B 240 43.944 -2.564 49.253 1.00 17.22 H new ATOM 0 HB2 LEU B 240 44.073 0.100 50.166 1.00 13.76 H new ATOM 0 HB3 LEU B 240 44.164 -0.346 48.675 1.00 13.76 H new ATOM 0 HG LEU B 240 41.855 -0.092 50.206 1.00 13.64 H new ATOM 0 HD11 LEU B 240 41.240 1.285 48.371 1.00 11.64 H new ATOM 0 HD12 LEU B 240 42.623 1.775 48.967 1.00 11.64 H new ATOM 0 HD13 LEU B 240 42.594 0.901 47.646 1.00 11.64 H new ATOM 0 HD21 LEU B 240 40.599 -1.022 48.508 1.00 10.92 H new ATOM 0 HD22 LEU B 240 41.927 -1.398 47.730 1.00 10.92 H new ATOM 0 HD23 LEU B 240 41.592 -2.099 49.110 1.00 10.92 H new ATOM 1951 N CYS B 241 46.515 -1.996 49.251 1.00 17.41 N ATOM 1952 CA CYS B 241 47.967 -2.012 49.442 1.00 15.26 C ATOM 1953 C CYS B 241 48.490 -0.745 50.087 1.00 14.74 C ATOM 1954 O CYS B 241 49.561 -0.713 50.700 1.00 18.96 O ATOM 1955 CB CYS B 241 48.678 -2.214 48.093 1.00 13.75 C ATOM 1956 SG CYS B 241 48.182 -0.940 46.908 1.00 18.70 S ATOM 0 H CYS B 241 46.272 -2.028 48.427 1.00 17.41 H new ATOM 0 HA CYS B 241 48.157 -2.750 50.042 1.00 15.26 H new ATOM 0 HB2 CYS B 241 49.639 -2.185 48.222 1.00 13.75 H new ATOM 0 HB3 CYS B 241 48.465 -3.092 47.739 1.00 13.75 H new ATOM 0 HG CYS B 241 49.103 -0.197 46.710 1.00 18.70 H new ATOM 1958 N HIS B 242 47.763 0.354 49.957 1.00 15.88 N ATOM 1959 CA HIS B 242 48.191 1.606 50.528 1.00 15.07 C ATOM 1960 C HIS B 242 47.005 2.535 50.550 1.00 15.51 C ATOM 1961 O HIS B 242 46.124 2.382 49.722 1.00 14.38 O ATOM 1962 CB HIS B 242 49.313 2.178 49.646 1.00 17.82 C ATOM 1963 CG HIS B 242 50.111 3.271 50.360 1.00 20.59 C ATOM 1964 ND1 HIS B 242 49.714 4.555 50.587 1.00 20.97 N flip ATOM 1965 CD2 HIS B 242 51.294 3.120 50.957 1.00 17.88 C flip ATOM 1966 CE1 HIS B 242 50.648 5.094 51.301 1.00 16.51 C flip ATOM 1967 NE2 HIS B 242 51.614 4.255 51.529 1.00 16.28 N flip ATOM 0 H HIS B 242 47.013 0.390 49.537 1.00 15.88 H new ATOM 0 HA HIS B 242 48.526 1.493 51.431 1.00 15.07 H new ATOM 0 HB2 HIS B 242 49.912 1.462 49.383 1.00 17.82 H new ATOM 0 HB3 HIS B 242 48.929 2.540 48.832 1.00 17.82 H new ATOM 0 HD1 HIS B 242 48.991 4.930 50.312 1.00 20.97 H new ATOM 0 HD2 HIS B 242 51.804 2.343 50.966 1.00 17.88 H new ATOM 0 HE1 HIS B 242 50.631 5.970 51.612 1.00 16.51 H new ATOM 1971 N ARG B 243 46.971 3.449 51.508 1.00 16.96 N ATOM 1972 CA ARG B 243 46.003 4.546 51.545 1.00 17.96 C ATOM 1973 C ARG B 243 46.185 5.342 50.279 1.00 15.40 C ATOM 1974 O ARG B 243 47.313 5.420 49.808 1.00 15.36 O ATOM 1975 CB ARG B 243 46.232 5.560 52.640 1.00 23.16 C ATOM 1976 CG ARG B 243 46.188 4.919 53.965 1.00 39.58 C ATOM 1977 CD ARG B 243 46.023 5.970 55.008 1.00 49.76 C ATOM 1978 NE ARG B 243 47.219 6.750 55.106 1.00 59.77 N ATOM 1979 CZ ARG B 243 47.252 7.736 56.000 1.00 69.60 C ATOM 1980 NH1 ARG B 243 46.188 8.019 56.816 1.00 70.55 N ATOM 1981 NH2 ARG B 243 48.438 8.365 56.157 1.00 75.21 N ATOM 0 H ARG B 243 47.519 3.453 52.171 1.00 16.96 H new ATOM 0 HA ARG B 243 45.137 4.128 51.675 1.00 17.96 H new ATOM 0 HB2 ARG B 243 47.092 5.991 52.513 1.00 23.16 H new ATOM 0 HB3 ARG B 243 45.557 6.255 52.590 1.00 23.16 H new ATOM 0 HG2 ARG B 243 45.453 4.287 54.007 1.00 39.58 H new ATOM 0 HG3 ARG B 243 47.003 4.417 54.121 1.00 39.58 H new ATOM 0 HD2 ARG B 243 45.272 6.542 54.786 1.00 49.76 H new ATOM 0 HD3 ARG B 243 45.824 5.559 55.864 1.00 49.76 H new ATOM 0 HE ARG B 243 47.897 6.587 54.602 1.00 59.77 H new ATOM 0 HH11 ARG B 243 45.468 7.553 56.760 1.00 70.55 H new ATOM 0 HH12 ARG B 243 46.241 8.663 57.384 1.00 70.55 H new ATOM 0 HH21 ARG B 243 49.119 8.121 55.692 1.00 75.21 H new ATOM 0 HH22 ARG B 243 48.512 9.009 56.722 1.00 75.21 H new ATOM 1988 N LEU B 244 45.152 5.920 49.707 1.00 16.39 N ATOM 1989 CA LEU B 244 45.276 6.692 48.491 1.00 17.05 C ATOM 1990 C LEU B 244 45.928 8.027 48.888 1.00 22.09 C ATOM 1991 O LEU B 244 45.544 8.637 49.892 1.00 27.35 O ATOM 1992 CB LEU B 244 43.902 6.866 47.935 1.00 8.64 C ATOM 1993 CG LEU B 244 43.121 5.591 47.721 1.00 7.56 C ATOM 1994 CD1 LEU B 244 41.805 5.943 47.085 1.00 2.62 C ATOM 1995 CD2 LEU B 244 43.876 4.632 46.821 1.00 3.08 C ATOM 0 H LEU B 244 44.350 5.876 50.015 1.00 16.39 H new ATOM 0 HA LEU B 244 45.822 6.269 47.810 1.00 17.05 H new ATOM 0 HB2 LEU B 244 43.398 7.439 48.534 1.00 8.64 H new ATOM 0 HB3 LEU B 244 43.970 7.332 47.087 1.00 8.64 H new ATOM 0 HG LEU B 244 42.984 5.155 48.577 1.00 7.56 H new ATOM 0 HD11 LEU B 244 41.289 5.135 46.940 1.00 2.62 H new ATOM 0 HD12 LEU B 244 41.312 6.540 47.670 1.00 2.62 H new ATOM 0 HD13 LEU B 244 41.963 6.382 46.235 1.00 2.62 H new ATOM 0 HD21 LEU B 244 43.354 3.823 46.700 1.00 3.08 H new ATOM 0 HD22 LEU B 244 44.029 5.050 45.959 1.00 3.08 H new ATOM 0 HD23 LEU B 244 44.728 4.409 47.228 1.00 3.08 H new ATOM 1997 N THR B 245 47.015 8.435 48.209 1.00 23.52 N ATOM 1998 CA THR B 245 47.764 9.640 48.477 1.00 21.86 C ATOM 1999 C THR B 245 47.546 10.600 47.308 1.00 23.14 C ATOM 2000 O THR B 245 46.560 11.314 47.298 1.00 26.65 O ATOM 2001 CB THR B 245 49.255 9.341 48.629 1.00 20.80 C ATOM 2002 OG1 THR B 245 49.699 8.501 47.568 1.00 25.77 O ATOM 2003 CG2 THR B 245 49.502 8.583 49.875 1.00 18.14 C ATOM 0 H THR B 245 47.338 7.984 47.552 1.00 23.52 H new ATOM 0 HA THR B 245 47.457 10.033 49.309 1.00 21.86 H new ATOM 0 HB THR B 245 49.721 10.192 48.631 1.00 20.80 H new ATOM 0 HG1 THR B 245 50.213 7.911 47.874 1.00 25.77 H new ATOM 0 HG21 THR B 245 50.451 8.400 49.960 1.00 18.14 H new ATOM 0 HG22 THR B 245 49.205 9.106 50.636 1.00 18.14 H new ATOM 0 HG23 THR B 245 49.013 7.746 49.847 1.00 18.14 H new ATOM 2006 N THR B 246 48.317 10.670 46.234 1.00 25.47 N ATOM 2007 CA THR B 246 48.140 11.707 45.211 1.00 24.35 C ATOM 2008 C THR B 246 47.206 11.233 44.093 1.00 19.15 C ATOM 2009 O THR B 246 47.054 10.025 43.836 1.00 18.73 O ATOM 2010 CB THR B 246 49.546 12.080 44.620 1.00 29.59 C ATOM 2011 OG1 THR B 246 50.458 12.282 45.682 1.00 35.76 O ATOM 2012 CG2 THR B 246 49.560 13.411 43.931 1.00 38.41 C ATOM 0 H THR B 246 48.959 10.121 46.071 1.00 25.47 H new ATOM 0 HA THR B 246 47.733 12.486 45.621 1.00 24.35 H new ATOM 0 HB THR B 246 49.766 11.357 44.012 1.00 29.59 H new ATOM 0 HG1 THR B 246 51.212 12.480 45.370 1.00 35.76 H new ATOM 0 HG21 THR B 246 50.450 13.588 43.587 1.00 38.41 H new ATOM 0 HG22 THR B 246 48.926 13.402 43.197 1.00 38.41 H new ATOM 0 HG23 THR B 246 49.314 14.105 44.562 1.00 38.41 H new ATOM 2015 N VAL B 247 46.463 12.138 43.478 1.00 15.58 N ATOM 2016 CA VAL B 247 45.680 11.801 42.312 1.00 13.24 C ATOM 2017 C VAL B 247 46.731 11.738 41.229 1.00 15.18 C ATOM 2018 O VAL B 247 47.680 12.544 41.275 1.00 15.84 O ATOM 2019 CB VAL B 247 44.701 12.881 41.976 1.00 12.48 C ATOM 2020 CG1 VAL B 247 44.070 12.713 40.617 1.00 14.41 C ATOM 2021 CG2 VAL B 247 43.645 12.804 43.071 1.00 13.24 C ATOM 0 H VAL B 247 46.400 12.959 43.725 1.00 15.58 H new ATOM 0 HA VAL B 247 45.162 10.990 42.431 1.00 13.24 H new ATOM 0 HB VAL B 247 45.146 13.742 41.935 1.00 12.48 H new ATOM 0 HG11 VAL B 247 43.448 13.440 40.457 1.00 14.41 H new ATOM 0 HG12 VAL B 247 44.761 12.723 39.936 1.00 14.41 H new ATOM 0 HG13 VAL B 247 43.595 11.868 40.583 1.00 14.41 H new ATOM 0 HG21 VAL B 247 42.969 13.483 42.917 1.00 13.24 H new ATOM 0 HG22 VAL B 247 43.230 11.927 43.060 1.00 13.24 H new ATOM 0 HG23 VAL B 247 44.062 12.953 43.934 1.00 13.24 H new ATOM 2023 N CYS B 248 46.566 10.826 40.248 1.00 16.02 N ATOM 2024 CA CYS B 248 47.495 10.655 39.120 1.00 17.05 C ATOM 2025 C CYS B 248 47.713 12.049 38.488 1.00 19.57 C ATOM 2026 O CYS B 248 46.734 12.782 38.288 1.00 21.70 O ATOM 2027 CB CYS B 248 46.894 9.714 38.098 1.00 12.00 C ATOM 2028 SG CYS B 248 48.019 9.323 36.756 1.00 22.95 S ATOM 0 H CYS B 248 45.899 10.284 40.224 1.00 16.02 H new ATOM 0 HA CYS B 248 48.337 10.279 39.421 1.00 17.05 H new ATOM 0 HB2 CYS B 248 46.628 8.892 38.540 1.00 12.00 H new ATOM 0 HB3 CYS B 248 46.089 10.113 37.732 1.00 12.00 H new ATOM 0 HG CYS B 248 47.481 8.575 35.987 1.00 22.95 H new ATOM 2030 N PRO B 249 48.949 12.511 38.314 1.00 18.94 N ATOM 2031 CA PRO B 249 49.214 13.801 37.745 1.00 21.97 C ATOM 2032 C PRO B 249 48.769 14.008 36.301 1.00 24.31 C ATOM 2033 O PRO B 249 48.828 13.076 35.508 1.00 24.87 O ATOM 2034 CB PRO B 249 50.715 13.959 38.035 1.00 20.24 C ATOM 2035 CG PRO B 249 51.247 12.571 38.080 1.00 20.50 C ATOM 2036 CD PRO B 249 50.164 11.887 38.834 1.00 19.53 C ATOM 2037 OXT PRO B 249 48.313 15.110 36.005 1.00 25.66 O ATOM 0 HA PRO B 249 48.677 14.510 38.133 1.00 21.97 H new ATOM 0 HB2 PRO B 249 51.153 14.481 37.344 1.00 20.24 H new ATOM 0 HB3 PRO B 249 50.864 14.419 38.876 1.00 20.24 H new ATOM 0 HG2 PRO B 249 51.373 12.196 37.194 1.00 20.50 H new ATOM 0 HG3 PRO B 249 52.102 12.519 38.535 1.00 20.50 H new ATOM 0 HD2 PRO B 249 50.169 10.929 38.679 1.00 19.53 H new ATOM 0 HD3 PRO B 249 50.254 12.020 39.791 1.00 19.53 H new TER 2038 PRO B 249 HETATM 2039 C ACE C 100 41.416 7.437 25.202 1.00 14.45 C HETATM 2040 O ACE C 100 41.095 8.630 25.275 1.00 15.73 O HETATM 2041 CH3 ACE C 100 41.550 6.578 26.447 1.00 11.51 C HETATM 0 H1 ACE C 100 40.929 5.834 26.396 1.00 11.51 H new HETATM 0 H2 ACE C 100 42.456 6.238 26.510 1.00 11.51 H new HETATM 0 H3 ACE C 100 41.350 7.112 27.232 1.00 11.51 H new HETATM 2042 N PTR C 101 41.866 6.892 24.076 1.00 17.57 N HETATM 2043 CA PTR C 101 41.808 7.566 22.802 1.00 16.00 C HETATM 2044 C PTR C 101 40.639 7.019 22.008 1.00 18.20 C HETATM 2045 O PTR C 101 40.266 5.848 22.124 1.00 21.69 O HETATM 2046 CB PTR C 101 43.086 7.309 22.100 1.00 13.58 C HETATM 2047 CG PTR C 101 44.248 7.942 22.827 1.00 15.92 C HETATM 2048 CD1 PTR C 101 44.925 7.192 23.752 1.00 16.00 C HETATM 2049 CD2 PTR C 101 44.613 9.246 22.602 1.00 12.93 C HETATM 2050 CE1 PTR C 101 45.958 7.753 24.472 1.00 14.58 C HETATM 2051 CE2 PTR C 101 45.648 9.821 23.315 1.00 11.68 C HETATM 2052 CZ PTR C 101 46.336 9.062 24.262 1.00 12.72 C HETATM 2053 OH PTR C 101 47.391 9.553 24.917 1.00 9.71 O HETATM 2054 P PTR C 101 47.374 10.081 26.599 1.00 12.14 P HETATM 2055 O1P PTR C 101 47.450 8.863 27.369 1.00 16.99 O HETATM 2056 O2P PTR C 101 48.530 11.033 26.663 1.00 13.31 O HETATM 2057 O3P PTR C 101 46.013 10.766 26.667 1.00 14.72 O HETATM 0 HE2 PTR C 101 45.894 10.746 23.158 1.00 11.68 H new HETATM 0 HE1 PTR C 101 46.425 7.220 25.135 1.00 14.58 H new HETATM 0 HD2 PTR C 101 44.140 9.769 21.936 1.00 12.93 H new HETATM 0 HD1 PTR C 101 44.677 6.266 23.900 1.00 16.00 H new HETATM 0 HB3 PTR C 101 43.230 6.353 22.026 1.00 13.58 H new HETATM 0 HB2 PTR C 101 43.037 7.659 21.197 1.00 13.58 H new HETATM 0 HA PTR C 101 41.682 8.522 22.912 1.00 16.00 H new ATOM 2059 N GLU C 102 40.035 7.879 21.230 1.00 19.54 N ATOM 2060 CA GLU C 102 38.952 7.589 20.317 1.00 19.67 C ATOM 2061 C GLU C 102 39.415 6.706 19.139 1.00 17.47 C ATOM 2062 O GLU C 102 40.612 6.726 18.812 1.00 20.68 O ATOM 2063 CB GLU C 102 38.448 8.915 19.786 1.00 18.84 C ATOM 2064 CG GLU C 102 37.935 9.889 20.786 1.00 21.67 C ATOM 2065 CD GLU C 102 36.781 9.361 21.621 1.00 28.15 C ATOM 2066 OE1 GLU C 102 35.679 9.176 21.089 1.00 28.83 O ATOM 2067 OE2 GLU C 102 36.988 9.183 22.828 1.00 30.78 O ATOM 0 H GLU C 102 40.259 8.709 21.216 1.00 19.54 H new ATOM 0 HA GLU C 102 38.257 7.100 20.785 1.00 19.67 H new ATOM 0 HB2 GLU C 102 39.170 9.338 19.296 1.00 18.84 H new ATOM 0 HB3 GLU C 102 37.739 8.735 19.149 1.00 18.84 H new ATOM 0 HG2 GLU C 102 38.660 10.145 21.377 1.00 21.67 H new ATOM 0 HG3 GLU C 102 37.648 10.693 20.325 1.00 21.67 H new HETATM 2069 N DIX C 103 38.587 5.877 18.504 1.00 15.28 N HETATM 2070 CM DIX C 103 37.251 5.601 19.013 1.00 11.85 C HETATM 2071 C3 DIX C 103 38.856 5.292 17.191 1.00 11.85 C HETATM 2072 C2 DIX C 103 38.198 6.211 16.162 1.00 14.56 C HETATM 2073 C1 DIX C 103 39.139 7.178 15.456 1.00 21.87 C HETATM 2074 C1' DIX C 103 38.610 8.565 15.109 1.00 21.63 C HETATM 2075 C2' DIX C 103 39.495 9.445 14.312 1.00 23.93 C HETATM 2076 C5' DIX C 103 37.226 8.653 14.549 1.00 23.27 C HETATM 2077 C4' DIX C 103 37.371 9.750 13.506 1.00 26.23 C HETATM 2078 C3' DIX C 103 38.568 10.480 13.843 1.00 23.77 C HETATM 0 H5'2 DIX C 103 36.940 7.814 14.155 1.00 23.27 H new HETATM 0 H5'1 DIX C 103 36.574 8.883 15.229 1.00 23.27 H new HETATM 0 H4'2 DIX C 103 37.436 9.373 12.615 1.00 26.23 H new HETATM 0 H4'1 DIX C 103 36.597 10.335 13.510 1.00 26.23 H new HETATM 0 H3'2 DIX C 103 38.398 11.143 14.531 1.00 23.77 H new HETATM 0 H3'1 DIX C 103 38.923 10.953 13.075 1.00 23.77 H new HETATM 0 H2'2 DIX C 103 40.212 9.818 14.848 1.00 23.93 H new HETATM 0 H2'1 DIX C 103 39.909 8.970 13.575 1.00 23.93 H new HETATM 0 HM3 DIX C 103 36.590 5.959 18.400 1.00 11.85 H new HETATM 0 HM2 DIX C 103 37.128 4.642 19.096 1.00 11.85 H new HETATM 0 HM1 DIX C 103 37.143 6.017 19.883 1.00 11.85 H new HETATM 0 H32 DIX C 103 39.811 5.224 17.033 1.00 11.85 H new HETATM 0 H31 DIX C 103 38.494 4.394 17.133 1.00 11.85 H new HETATM 0 H22 DIX C 103 37.761 5.662 15.493 1.00 14.56 H new HETATM 0 H21 DIX C 103 37.504 6.724 16.605 1.00 14.56 H new HETATM 0 H12 DIX C 103 39.924 7.290 16.015 1.00 21.87 H new HETATM 0 H11 DIX C 103 39.434 6.758 14.633 1.00 21.87 H new HETATM 0 H1' DIX C 103 38.584 8.905 16.017 1.00 21.63 H new TER 2079 DIX C 103 HETATM 2080 C ACE D 100 43.519 -8.243 37.791 1.00 36.03 C HETATM 2081 O ACE D 100 44.323 -7.290 37.957 1.00 36.30 O HETATM 2082 CH3 ACE D 100 43.659 -9.243 36.652 1.00 35.37 C HETATM 0 H1 ACE D 100 43.766 -10.136 37.016 1.00 35.37 H new HETATM 0 H2 ACE D 100 42.864 -9.214 36.096 1.00 35.37 H new HETATM 0 H3 ACE D 100 44.436 -9.017 36.116 1.00 35.37 H new HETATM 2083 N PTR D 101 42.333 -8.342 38.395 1.00 32.92 N HETATM 2084 CA PTR D 101 41.979 -7.529 39.545 1.00 29.37 C HETATM 2085 C PTR D 101 42.386 -8.183 40.842 1.00 28.20 C HETATM 2086 O PTR D 101 42.591 -9.389 40.883 1.00 30.57 O HETATM 2087 CB PTR D 101 40.510 -7.307 39.534 1.00 25.93 C HETATM 2088 CG PTR D 101 40.123 -6.493 38.312 1.00 25.45 C HETATM 2089 CD1 PTR D 101 39.558 -7.087 37.201 1.00 26.68 C HETATM 2090 CD2 PTR D 101 40.258 -5.120 38.332 1.00 28.68 C HETATM 2091 CE1 PTR D 101 39.151 -6.318 36.134 1.00 24.06 C HETATM 2092 CE2 PTR D 101 39.857 -4.341 37.263 1.00 26.39 C HETATM 2093 CZ PTR D 101 39.283 -4.939 36.170 1.00 29.40 C HETATM 2094 OH PTR D 101 38.837 -4.192 35.207 1.00 30.03 O HETATM 2095 P PTR D 101 39.794 -3.852 33.824 1.00 34.63 P HETATM 2096 O1P PTR D 101 39.870 -5.127 33.102 1.00 36.36 O HETATM 2097 O2P PTR D 101 38.918 -2.761 33.328 1.00 32.32 O HETATM 2098 O3P PTR D 101 41.057 -3.515 34.565 1.00 39.40 O HETATM 0 HE2 PTR D 101 39.980 -3.379 37.285 1.00 26.39 H new HETATM 0 HE1 PTR D 101 38.769 -6.745 35.351 1.00 24.06 H new HETATM 0 HD2 PTR D 101 40.643 -4.692 39.113 1.00 28.68 H new HETATM 0 HD1 PTR D 101 39.447 -8.050 37.172 1.00 26.68 H new HETATM 0 HB3 PTR D 101 40.046 -8.159 39.526 1.00 25.93 H new HETATM 0 HB2 PTR D 101 40.238 -6.843 40.341 1.00 25.93 H new HETATM 0 HA PTR D 101 42.454 -6.685 39.485 1.00 29.37 H new ATOM 2100 N GLU D 102 42.495 -7.434 41.904 1.00 28.23 N ATOM 2101 CA GLU D 102 42.842 -7.973 43.216 1.00 28.03 C ATOM 2102 C GLU D 102 41.653 -8.677 43.869 1.00 23.73 C ATOM 2103 O GLU D 102 40.512 -8.362 43.490 1.00 25.16 O ATOM 2104 CB GLU D 102 43.286 -6.835 44.105 1.00 27.29 C ATOM 2105 CG GLU D 102 44.459 -6.168 43.493 1.00 30.62 C ATOM 2106 CD GLU D 102 45.679 -7.039 43.564 1.00 31.43 C ATOM 2107 OE1 GLU D 102 45.938 -7.606 44.629 1.00 34.27 O ATOM 2108 OE2 GLU D 102 46.374 -7.117 42.558 1.00 33.69 O ATOM 0 H GLU D 102 42.370 -6.583 41.898 1.00 28.23 H new ATOM 0 HA GLU D 102 43.552 -8.624 43.101 1.00 28.03 H new ATOM 0 HB2 GLU D 102 42.563 -6.199 44.221 1.00 27.29 H new ATOM 0 HB3 GLU D 102 43.514 -7.169 44.987 1.00 27.29 H new ATOM 0 HG2 GLU D 102 44.265 -5.954 42.567 1.00 30.62 H new ATOM 0 HG3 GLU D 102 44.631 -5.329 43.948 1.00 30.62 H new HETATM 2110 N DIX D 103 41.779 -9.616 44.813 1.00 22.61 N HETATM 2111 CM DIX D 103 43.050 -10.198 45.210 1.00 16.31 C HETATM 2112 C3 DIX D 103 40.666 -9.981 45.690 1.00 20.00 C HETATM 2113 C2 DIX D 103 40.743 -9.177 47.016 1.00 17.82 C HETATM 2114 C1 DIX D 103 40.445 -7.697 46.996 1.00 20.75 C HETATM 2115 C1' DIX D 103 40.652 -7.101 48.347 1.00 16.78 C HETATM 2116 C2' DIX D 103 40.480 -5.646 48.467 1.00 17.09 C HETATM 2117 C5' DIX D 103 41.970 -7.431 48.971 1.00 17.49 C HETATM 2118 C4' DIX D 103 42.181 -6.270 49.925 1.00 21.00 C HETATM 2119 C3' DIX D 103 40.944 -5.467 49.872 1.00 19.67 C HETATM 0 H5'2 DIX D 103 41.946 -8.282 49.437 1.00 17.49 H new HETATM 0 H5'1 DIX D 103 42.678 -7.489 48.310 1.00 17.49 H new HETATM 0 H4'2 DIX D 103 42.350 -6.588 50.826 1.00 21.00 H new HETATM 0 H4'1 DIX D 103 42.950 -5.740 49.662 1.00 21.00 H new HETATM 0 H3'2 DIX D 103 41.114 -4.534 50.077 1.00 19.67 H new HETATM 0 H3'1 DIX D 103 40.285 -5.782 50.510 1.00 19.67 H new HETATM 0 H2'2 DIX D 103 41.019 -5.152 47.829 1.00 17.09 H new HETATM 0 H2'1 DIX D 103 39.560 -5.366 48.338 1.00 17.09 H new HETATM 0 HM3 DIX D 103 43.277 -9.900 46.104 1.00 16.31 H new HETATM 0 HM2 DIX D 103 42.980 -11.165 45.200 1.00 16.31 H new HETATM 0 HM1 DIX D 103 43.742 -9.918 44.590 1.00 16.31 H new HETATM 0 H32 DIX D 103 39.823 -9.803 45.245 1.00 20.00 H new HETATM 0 H31 DIX D 103 40.692 -10.932 45.879 1.00 20.00 H new HETATM 0 H22 DIX D 103 40.130 -9.590 47.644 1.00 17.82 H new HETATM 0 H21 DIX D 103 41.637 -9.290 47.375 1.00 17.82 H new HETATM 0 H12 DIX D 103 41.019 -7.255 46.351 1.00 20.75 H new HETATM 0 H11 DIX D 103 39.530 -7.550 46.709 1.00 20.75 H new HETATM 0 H1' DIX D 103 39.923 -7.531 48.821 1.00 16.78 H new TER 2120 DIX D 103 HETATM 2121 O HOH A 510 50.434 2.063 21.042 1.00 13.70 O HETATM 2124 O HOH A 511 55.679 20.706 28.357 1.00 30.03 O HETATM 2127 O HOH A 512 57.556 19.085 23.670 1.00 40.41 O HETATM 2130 O HOH A 513 53.889 27.183 23.078 1.00 17.11 O HETATM 2133 O HOH A 514 51.420 30.401 17.024 1.00 34.50 O HETATM 2136 O HOH A 515 47.468 29.368 24.036 1.00 33.84 O HETATM 2139 O HOH A 516 52.142 14.726 27.456 1.00 29.36 O HETATM 2142 O HOH A 517 50.954 10.960 34.666 1.00 33.18 O HETATM 2145 O HOH A 518 47.107 12.514 32.932 1.00 23.27 O HETATM 2148 O HOH A 520 45.819 4.900 21.085 1.00 32.51 O HETATM 2151 O HOH A 521 48.019 3.969 24.094 1.00 41.50 O HETATM 2154 O HOH A 522 47.511 4.155 13.692 1.00 25.12 O HETATM 2157 O HOH A 523 52.091 4.918 12.293 1.00 29.99 O HETATM 2160 O HOH A 524 53.144 5.510 17.266 1.00 47.33 O HETATM 2163 O HOH A 525 53.742 8.285 16.132 1.00 21.47 O HETATM 2166 O HOH A 526 46.367 8.526 5.984 1.00 28.55 O HETATM 2169 O HOH A 527 44.258 12.411 9.482 1.00 19.66 O HETATM 2172 O HOH A 528 39.913 12.921 8.375 1.00 24.76 O HETATM 2175 O HOH A 529 54.719 19.769 12.341 1.00 27.11 O HETATM 2178 O HOH A 539 58.871 20.254 24.509 1.00 60.25 O HETATM 2181 O HOH A 540 40.759 10.814 30.935 1.00 49.24 O HETATM 2184 O HOH B 500 44.123 3.166 23.754 1.00 11.70 O HETATM 2187 O HOH B 504 36.672 -9.353 38.756 1.00 34.76 O HETATM 2190 O HOH B 507 45.444 -5.694 39.924 1.00 33.47 O HETATM 2193 O HOH B 508 34.373 -1.201 50.025 1.00 6.05 O HETATM 2196 O HOH B 509 31.933 -10.590 36.495 1.00 24.64 O HETATM 2199 O HOH B 519 48.457 15.175 41.438 1.00 31.20 O HETATM 2202 O HOH B 530 37.929 1.827 30.399 1.00 46.37 O HETATM 2205 O HOH B 531 54.313 5.557 41.666 1.00 45.73 O HETATM 2208 O HOH B 532 46.040 -5.657 48.310 1.00 38.22 O HETATM 2211 O HOH B 533 28.526 -3.197 39.142 1.00 26.72 O HETATM 2214 O HOH B 534 35.169 2.860 59.259 1.00 40.36 O HETATM 2217 O HOH B 535 37.702 -2.173 52.864 1.00 33.34 O HETATM 2220 O HOH B 536 29.486 1.108 55.485 1.00 48.60 O HETATM 2223 O HOH B 537 23.076 4.400 47.819 1.00 42.27 O HETATM 2226 O HOH B 538 31.020 10.786 43.637 1.00 29.62 O HETATM 2229 O HOH B 541 27.313 -6.784 42.626 1.00 48.86 O HETATM 2232 O HOH C 501 46.305 6.679 28.005 1.00 23.94 O HETATM 2235 O HOH C 502 39.212 10.221 24.490 1.00 12.58 O HETATM 2238 O HOH C 503 42.983 8.127 18.223 1.00 15.44 O HETATM 2241 O HOH D 505 39.622 -11.150 37.048 1.00 9.07 O HETATM 2244 O HOH D 506 38.867 -6.215 43.065 1.00 22.45 O CONECT 2039 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 2043 2058 CONECT 2043 2042 2044 2046 CONECT 2044 2043 2045 2059 CONECT 2045 2044 CONECT 2046 2043 2047 CONECT 2047 2046 2048 2049 CONECT 2048 2047 2050 CONECT 2049 2047 2051 CONECT 2050 2048 2052 CONECT 2051 2049 2052 CONECT 2052 2050 2051 2053 CONECT 2053 2052 2054 CONECT 2054 2053 2055 2056 2057 CONECT 2055 2054 CONECT 2056 2054 CONECT 2057 2054 CONECT 2058 2042 CONECT 2059 2044 CONECT 2061 2069 CONECT 2069 2061 2070 2071 CONECT 2070 2069 CONECT 2071 2069 2072 CONECT 2072 2071 2073 CONECT 2073 2072 2074 CONECT 2074 2073 2075 2076 CONECT 2075 2074 2078 CONECT 2076 2074 2077 CONECT 2077 2076 2078 CONECT 2078 2075 2077 CONECT 2080 2081 2082 2083 CONECT 2081 2080 CONECT 2082 2080 CONECT 2083 2080 2084 2099 CONECT 2084 2083 2085 2087 CONECT 2085 2084 2086 2100 CONECT 2086 2085 CONECT 2087 2084 2088 CONECT 2088 2087 2089 2090 CONECT 2089 2088 2091 CONECT 2090 2088 2092 CONECT 2091 2089 2093 CONECT 2092 2090 2093 CONECT 2093 2091 2092 2094 CONECT 2094 2093 2095 CONECT 2095 2094 2096 2097 2098 CONECT 2096 2095 CONECT 2097 2095 CONECT 2098 2095 CONECT 2099 2083 CONECT 2100 2085 CONECT 2102 2110 CONECT 2110 2102 2111 2112 CONECT 2111 2110 CONECT 2112 2110 2113 CONECT 2113 2112 2114 CONECT 2114 2113 2115 CONECT 2115 2114 2116 2117 CONECT 2116 2115 2119 CONECT 2117 2115 2118 CONECT 2118 2117 2119 CONECT 2119 2116 2118 END