USER MOD reduce.3.24.130724 H: found=0, std=0, add=2441, rem=0, adj=89 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LIPOPROTEIN 14-SEP-07 2RA2 TITLE X-RAY STRUCTURE OF THE Q7CPV8 PROTEIN FROM SALMONELLA TITLE 2 TYPHIMURIUM AT THE RESOLUTION 1.9 A. NORTHEAST STRUCTURAL TITLE 3 GENOMICS CONSORTIUM TARGET STR88A COMPND MOL_ID: 1; COMPND 2 MOLECULE: PUTATIVE LIPOPROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 FRAGMENT: RESIDUES 21-75; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; SOURCE 3 ORGANISM_TAXID: 99287; SOURCE 4 STRAIN: SGSC1412; SOURCE 5 ATCC: 700720; SOURCE 6 GENE: YGDI, STM2983; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS X-RAY, NESG, STR88A, Q7CPV8, STRUCTURAL GENOMICS, PSI-2, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, LIPOPROTEIN, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,S.M.VOROBIEV,H.WANG,L.MAO, AUTHOR 2 K.CUNNINGHAM,R.XIAO,J.LIU,M.C.BARAN,T.B.ACTON,B.ROST, AUTHOR 3 G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 2RA2 1 VERSN REVDAT 1 09-OCT-07 2RA2 0 JRNL AUTH A.P.KUZIN,M.SU,J.SEETHARAMAN,S.M.VOROBIEV,H.WANG, JRNL AUTH 2 L.MAO,K.CUNNINGHAM,R.XIAO,J.LIU,M.C.BARAN, JRNL AUTH 3 T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL X-RAY STRUCTURE OF THE Q7CPV8 PROTEIN FROM JRNL TITL 2 SALMONELLA TYPHIMURIUM AT THE RESOLUTION 1.9 A. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.81 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 104229.720 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.5 REMARK 3 NUMBER OF REFLECTIONS : 58453 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.228 REMARK 3 FREE R VALUE : 0.251 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2931 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.01 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 7.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 877 REMARK 3 BIN R VALUE (WORKING SET) : 0.2260 REMARK 3 BIN FREE R VALUE : 0.2140 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.30 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 39 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.034 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2552 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 236 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 4.64000 REMARK 3 B22 (A**2) : -1.00000 REMARK 3 B33 (A**2) : -3.64000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM SIGMAA (A) : -0.02 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.12 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.73 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 49.04 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FRIEDEL PAIRS WERE USED FOR REMARK 3 PHASING. BULK SOLVENT MODEL HAS BEEN USED IN REFINEMENT REMARK 4 REMARK 4 2RA2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-SEP-07. REMARK 100 THE RCSB ID CODE IS RCSB044613. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 9.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97900 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 62778 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 24.000 REMARK 200 R MERGE (I) : 0.09200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 25.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.45900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 6.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SNB REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.38 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.29 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 32% PEG 4000, 100MM NH4CL, 100MM REMARK 280 TRIS-HCL, PH 9.0, VAPOR DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 54.51000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 54.51000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 34.14600 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 55.21300 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 34.14600 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 55.21300 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 54.51000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 34.14600 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 55.21300 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 54.51000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 34.14600 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 55.21300 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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 350 REMARK 350 BIOMOLECULE: 5 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 6 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 7 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6650 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 110.42600 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 109.02000 REMARK 350 REMARK 350 BIOMOLECULE: 8 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6460 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 110.42600 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 109.02000 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 MSE A 1 REMARK 465 SER A 2 REMARK 465 GLY A 3 REMARK 465 HIS A 59 REMARK 465 HIS A 60 REMARK 465 HIS A 61 REMARK 465 HIS A 62 REMARK 465 HIS A 63 REMARK 465 HIS A 64 REMARK 465 HIS B 60 REMARK 465 HIS B 61 REMARK 465 HIS B 62 REMARK 465 HIS B 63 REMARK 465 HIS B 64 REMARK 465 MSE C 1 REMARK 465 SER C 2 REMARK 465 GLU C 58 REMARK 465 HIS C 59 REMARK 465 HIS C 60 REMARK 465 HIS C 61 REMARK 465 HIS C 62 REMARK 465 HIS C 63 REMARK 465 HIS C 64 REMARK 465 MSE D 1 REMARK 465 LEU D 57 REMARK 465 GLU D 58 REMARK 465 HIS D 59 REMARK 465 HIS D 60 REMARK 465 HIS D 61 REMARK 465 HIS D 62 REMARK 465 HIS D 63 REMARK 465 HIS D 64 REMARK 465 MSE E 1 REMARK 465 SER E 2 REMARK 465 GLY E 3 REMARK 465 LEU E 57 REMARK 465 GLU E 58 REMARK 465 HIS E 59 REMARK 465 HIS E 60 REMARK 465 HIS E 61 REMARK 465 HIS E 62 REMARK 465 HIS E 63 REMARK 465 HIS E 64 REMARK 465 MSE F 1 REMARK 465 SER F 2 REMARK 465 ASN F 56 REMARK 465 LEU F 57 REMARK 465 GLU F 58 REMARK 465 HIS F 59 REMARK 465 HIS F 60 REMARK 465 HIS F 61 REMARK 465 HIS F 62 REMARK 465 HIS F 63 REMARK 465 HIS F 64 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 GLU A 55 CD GLU A 55 OE2 0.075 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 36 0.85 -60.46 REMARK 500 ALA B 53 -156.42 -101.49 REMARK 500 LEU B 54 19.67 -152.54 REMARK 500 GLU B 55 -73.30 -47.74 REMARK 500 ASP C 12 30.97 -84.25 REMARK 500 ASP D 12 33.74 -82.71 REMARK 500 GLU D 55 -157.10 -143.12 REMARK 500 ASN E 5 -34.86 -131.57 REMARK 500 GLU E 55 -147.71 -101.50 REMARK 500 LEU F 54 -157.01 -89.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: STR88A RELATED DB: TARGETDB REMARK 900 RELATED ID: 2JN0 RELATED DB: PDB REMARK 900 SOLUTION NMR STRUCTURE OF THE YGDR PROTEIN FROM ESCHERICHIA REMARK 900 COLI (A HOMOLOG) DBREF 2RA2 A 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 DBREF 2RA2 B 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 DBREF 2RA2 C 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 DBREF 2RA2 D 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 DBREF 2RA2 E 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 DBREF 2RA2 F 2 56 UNP Q7CPV8 Q7CPV8_SALTY 21 75 SEQADV 2RA2 MSE A 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU A 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU A 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS A 64 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 MSE B 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU B 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU B 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS B 64 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 MSE C 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU C 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU C 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS C 64 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 MSE D 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU D 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU D 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS D 64 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 MSE E 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU E 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU E 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS E 64 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 MSE F 1 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 LEU F 57 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 GLU F 58 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 59 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 60 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 61 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 62 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 63 UNP Q7CPV8 EXPRESSION TAG SEQADV 2RA2 HIS F 64 UNP Q7CPV8 EXPRESSION TAG SEQRES 1 A 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 A 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 A 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 A 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 A 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 B 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 B 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 B 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 B 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 C 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 C 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 C 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 C 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 C 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 D 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 D 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 D 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 D 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 D 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 E 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 E 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 E 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 E 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 E 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 F 64 MSE SER GLY PRO ASN TYR VAL MSE HIS THR ASN ASP GLY SEQRES 2 F 64 ARG SER ILE VAL THR ASP GLY LYS PRO GLN THR ASP ASN SEQRES 3 F 64 ASP THR GLY MSE ILE SER TYR LYS ASP ALA ASN GLY ASN SEQRES 4 F 64 LYS GLN GLN ILE ASN ARG THR ASP VAL LYS GLU MSE VAL SEQRES 5 F 64 ALA LEU GLU ASN LEU GLU HIS HIS HIS HIS HIS HIS MODRES 2RA2 MSE A 8 MET SELENOMETHIONINE MODRES 2RA2 MSE A 30 MET SELENOMETHIONINE MODRES 2RA2 MSE A 51 MET SELENOMETHIONINE MODRES 2RA2 MSE B 1 MET SELENOMETHIONINE MODRES 2RA2 MSE B 8 MET SELENOMETHIONINE MODRES 2RA2 MSE B 30 MET SELENOMETHIONINE MODRES 2RA2 MSE B 51 MET SELENOMETHIONINE MODRES 2RA2 MSE C 8 MET SELENOMETHIONINE MODRES 2RA2 MSE C 30 MET SELENOMETHIONINE MODRES 2RA2 MSE C 51 MET SELENOMETHIONINE MODRES 2RA2 MSE D 8 MET SELENOMETHIONINE MODRES 2RA2 MSE D 30 MET SELENOMETHIONINE MODRES 2RA2 MSE D 51 MET SELENOMETHIONINE MODRES 2RA2 MSE E 8 MET SELENOMETHIONINE MODRES 2RA2 MSE E 30 MET SELENOMETHIONINE MODRES 2RA2 MSE E 51 MET SELENOMETHIONINE MODRES 2RA2 MSE F 8 MET SELENOMETHIONINE MODRES 2RA2 MSE F 30 MET SELENOMETHIONINE MODRES 2RA2 MSE F 51 MET SELENOMETHIONINE HET MSE A 8 8 HET MSE A 30 8 HET MSE A 51 8 HET MSE B 1 8 HET MSE B 8 8 HET MSE B 30 8 HET MSE B 51 8 HET MSE C 8 8 HET MSE C 30 8 HET MSE C 51 8 HET MSE D 8 8 HET MSE D 30 8 HET MSE D 51 8 HET MSE E 8 8 HET MSE E 30 8 HET MSE E 51 8 HET MSE F 8 8 HET MSE F 30 8 HET MSE F 51 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 19(C5 H11 N O2 SE) FORMUL 7 HOH *236(H2 O) HELIX 1 1 ASN A 44 THR A 46 5 3 HELIX 2 2 ASN E 44 THR E 46 5 3 SHEET 1 A 6 SER A 15 VAL A 17 0 SHEET 2 A 6 TYR A 6 THR A 10 -1 N MSE A 8 O ILE A 16 SHEET 3 A 6 VAL A 48 ALA A 53 -1 O GLU A 50 N HIS A 9 SHEET 4 A 6 LYS F 40 ILE F 43 -1 O GLN F 42 N MSE A 51 SHEET 5 A 6 ILE F 31 LYS F 34 -1 N TYR F 33 O GLN F 41 SHEET 6 A 6 GLN F 23 THR F 24 -1 N GLN F 23 O SER F 32 SHEET 1 B 3 GLN A 23 THR A 24 0 SHEET 2 B 3 ILE A 31 LYS A 34 -1 O SER A 32 N GLN A 23 SHEET 3 B 3 LYS A 40 ILE A 43 -1 O ILE A 43 N ILE A 31 SHEET 1 C 3 SER B 15 ASP B 19 0 SHEET 2 C 3 ASN B 5 THR B 10 -1 N MSE B 8 O ILE B 16 SHEET 3 C 3 VAL B 48 VAL B 52 -1 O GLU B 50 N HIS B 9 SHEET 1 D 6 GLN B 23 THR B 24 0 SHEET 2 D 6 ILE B 31 LYS B 34 -1 O SER B 32 N GLN B 23 SHEET 3 D 6 LYS B 40 ILE B 43 -1 O GLN B 41 N TYR B 33 SHEET 4 D 6 VAL F 48 ALA F 53 -1 O MSE F 51 N GLN B 42 SHEET 5 D 6 ASN F 5 THR F 10 -1 N HIS F 9 O GLU F 50 SHEET 6 D 6 SER F 15 ASP F 19 -1 O THR F 18 N TYR F 6 SHEET 1 E 6 SER C 15 ASP C 19 0 SHEET 2 E 6 ASN C 5 THR C 10 -1 N MSE C 8 O ILE C 16 SHEET 3 E 6 VAL C 48 ALA C 53 -1 O VAL C 52 N VAL C 7 SHEET 4 E 6 LYS D 40 ILE D 43 -1 O GLN D 42 N MSE C 51 SHEET 5 E 6 ILE D 31 LYS D 34 -1 N TYR D 33 O GLN D 41 SHEET 6 E 6 GLN D 23 THR D 24 -1 N GLN D 23 O SER D 32 SHEET 1 F 6 GLN C 23 THR C 24 0 SHEET 2 F 6 ILE C 31 LYS C 34 -1 O SER C 32 N GLN C 23 SHEET 3 F 6 LYS C 40 ILE C 43 -1 O GLN C 41 N TYR C 33 SHEET 4 F 6 VAL E 48 ALA E 53 -1 O MSE E 51 N GLN C 42 SHEET 5 F 6 TYR E 6 THR E 10 -1 N HIS E 9 O LYS E 49 SHEET 6 F 6 SER E 15 THR E 18 -1 O THR E 18 N TYR E 6 SHEET 1 G 3 SER D 15 THR D 18 0 SHEET 2 G 3 ASN D 5 THR D 10 -1 N MSE D 8 O ILE D 16 SHEET 3 G 3 VAL D 48 LEU D 54 -1 O LEU D 54 N ASN D 5 SHEET 1 H 3 GLN E 23 THR E 24 0 SHEET 2 H 3 ILE E 31 LYS E 34 -1 O SER E 32 N GLN E 23 SHEET 3 H 3 LYS E 40 ILE E 43 -1 O GLN E 41 N TYR E 33 LINK C VAL A 7 N MSE A 8 1555 1555 1.33 LINK C MSE A 8 N HIS A 9 1555 1555 1.33 LINK C GLY A 29 N MSE A 30 1555 1555 1.33 LINK C MSE A 30 N ILE A 31 1555 1555 1.32 LINK C GLU A 50 N MSE A 51 1555 1555 1.33 LINK C MSE A 51 N VAL A 52 1555 1555 1.33 LINK C MSE B 1 N SER B 2 1555 1555 1.33 LINK C VAL B 7 N MSE B 8 1555 1555 1.33 LINK C MSE B 8 N HIS B 9 1555 1555 1.33 LINK C GLY B 29 N MSE B 30 1555 1555 1.33 LINK C MSE B 30 N ILE B 31 1555 1555 1.33 LINK C GLU B 50 N MSE B 51 1555 1555 1.33 LINK C MSE B 51 N VAL B 52 1555 1555 1.33 LINK C VAL C 7 N MSE C 8 1555 1555 1.33 LINK C MSE C 8 N HIS C 9 1555 1555 1.33 LINK C GLY C 29 N MSE C 30 1555 1555 1.33 LINK C MSE C 30 N ILE C 31 1555 1555 1.33 LINK C GLU C 50 N MSE C 51 1555 1555 1.33 LINK C MSE C 51 N VAL C 52 1555 1555 1.33 LINK C VAL D 7 N MSE D 8 1555 1555 1.33 LINK C MSE D 8 N HIS D 9 1555 1555 1.33 LINK C GLY D 29 N MSE D 30 1555 1555 1.33 LINK C MSE D 30 N ILE D 31 1555 1555 1.33 LINK C GLU D 50 N MSE D 51 1555 1555 1.33 LINK C MSE D 51 N VAL D 52 1555 1555 1.33 LINK C VAL E 7 N MSE E 8 1555 1555 1.33 LINK C MSE E 8 N HIS E 9 1555 1555 1.33 LINK C GLY E 29 N MSE E 30 1555 1555 1.33 LINK C MSE E 30 N ILE E 31 1555 1555 1.33 LINK C GLU E 50 N MSE E 51 1555 1555 1.33 LINK C MSE E 51 N VAL E 52 1555 1555 1.33 LINK C VAL F 7 N MSE F 8 1555 1555 1.33 LINK C MSE F 8 N HIS F 9 1555 1555 1.33 LINK C GLY F 29 N MSE F 30 1555 1555 1.33 LINK C MSE F 30 N ILE F 31 1555 1555 1.33 LINK C GLU F 50 N MSE F 51 1555 1555 1.33 LINK C MSE F 51 N VAL F 52 1555 1555 1.33 CRYST1 68.292 110.426 109.020 90.00 90.00 90.00 C 2 2 21 48 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 0.014643 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009056 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009173 0.00000 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 Set 1.1: F 44 ASN : amide:sc= 1.45 K(o=2.8,f=-4.4!) USER MOD Set 1.2: F 46 THR OG1 : rot 130:sc= 1.39 USER MOD Set 2.1: F 28 THR OG1 : rot -133:sc= 1.3 USER MOD Set 2.2: F 42 GLN : amide:sc= 0.948 K(o=2.2,f=-3.8!) USER MOD Set 3.1: C 26 ASN : amide:sc= 2.6 K(o=2.6,f=1.1) USER MOD Set 3.2: F 23 GLN : amide:sc=-0.00362 X(o=2.6,f=2.2) USER MOD Set 4.1: F 9 HIS : no HD1:sc= 0.344 X(o=0.82,f=1.1) USER MOD Set 4.2: F 15 SER OG : rot 74:sc= 0.477 USER MOD Set 5.1: E 44 ASN : amide:sc= 1.16 K(o=2.4,f=-3.2!) USER MOD Set 5.2: E 46 THR OG1 : rot 165:sc= 1.25 USER MOD Set 6.1: E 28 THR OG1 : rot -148:sc= 1.4 USER MOD Set 6.2: E 42 GLN : amide:sc= 1.03 K(o=2.4,f=-3.8!) USER MOD Set 7.1: E 9 HIS : no HD1:sc= 0.0856 X(o=0.17,f=-0.011) USER MOD Set 7.2: E 15 SER OG : rot -71:sc= 0.0847 USER MOD Set 8.1: D 44 ASN : amide:sc= 1.42 K(o=2.7,f=-3.8!) USER MOD Set 8.2: D 46 THR OG1 : rot 151:sc= 1.3 USER MOD Set 9.1: D 28 THR OG1 : rot -165:sc= 0.89 USER MOD Set 9.2: D 42 GLN :FLIP amide:sc= 1.38 F(o=-1.2!,f=2.3) USER MOD Set10.1: D 39 ASN : amide:sc= -1.61 K(o=-1.3,f=-4) USER MOD Set10.2: D 41 GLN : amide:sc= 0.339 X(o=-1.3,f=-1.5) USER MOD Set11.1: C 44 ASN : amide:sc= -2.45! C(o=-1!,f=-7.7!) USER MOD Set11.2: C 46 THR OG1 : rot -152:sc= 1.45 USER MOD Set12.1: C 28 THR OG1 : rot -163:sc= 1.49 USER MOD Set12.2: C 42 GLN : amide:sc= 1.07 K(o=2.6,f=-4.1!) USER MOD Set13.1: C 23 GLN :FLIP amide:sc=-0.00142 F(o=1.1!,f=2.4) USER MOD Set13.2: F 26 ASN : amide:sc= 2.39 K(o=2.4,f=1.2) USER MOD Set14.1: C 9 HIS : no HD1:sc=-0.00309 X(o=0.1,f=-0.033) USER MOD Set14.2: C 15 SER OG : rot -45:sc= 0.105 USER MOD Set15.1: B 44 ASN : amide:sc= 1.17 K(o=2.5,f=-4.1!) USER MOD Set15.2: B 46 THR OG1 : rot 142:sc= 1.38 USER MOD Set16.1: B 28 THR OG1 : rot -157:sc= 1.15 USER MOD Set16.2: B 42 GLN : amide:sc= 0.932 K(o=2.1,f=-2.8!) USER MOD Set17.1: B 26 ASN :FLIP amide:sc= 1.35 F(o=1.6,f=2.4) USER MOD Set17.2: E 23 GLN : amide:sc= 1.03 K(o=2.4,f=-0.32) USER MOD Set18.1: B 9 HIS : no HD1:sc= 0.091 X(o=0.091,f=-0.069) USER MOD Set18.2: B 15 SER OG : rot 180:sc= 0 USER MOD Set19.1: A 44 ASN : amide:sc= -2.66! C(o=-2.7!,f=-9!) USER MOD Set19.2: A 46 THR OG1 : rot 84:sc= 0.00783 USER MOD Set20.1: A 28 THR OG1 : rot -170:sc= 1.53 USER MOD Set20.2: A 42 GLN : amide:sc= 1.01 K(o=2.5,f=-5.1!) USER MOD Set21.1: A 9 HIS : no HE2:sc= 0.868 K(o=0.87,f=-2.9!) USER MOD Set21.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.42 K(o=0.42,f=-2.3!) USER MOD Single : A 6 TYR OH : rot -25:sc= 1.13 USER MOD Single : A 10 THR OG1 : rot 128:sc= 0.697 USER MOD Single : A 11 ASN : amide:sc= 0.105 K(o=0.1,f=-0.52) USER MOD Single : A 18 THR OG1 : rot 107:sc= 0.307 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 1.93 (180deg=1.56) USER MOD Single : A 23 GLN : amide:sc= 1.04 X(o=1,f=1.1) USER MOD Single : A 24 THR OG1 : rot 137:sc= 1.35 USER MOD Single : A 26 ASN :FLIP amide:sc= 1.34 F(o=0.52!,f=1.3) USER MOD Single : A 32 SER OG : rot -86:sc= 1.82 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0488 (180deg=-0.301) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0294 F(o=-1.5!,f=-0.029) USER MOD Single : A 39 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc=-0.00405 (180deg=-0.0587) USER MOD Single : A 41 GLN : amide:sc= 0.863 K(o=0.86,f=0.058) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0.228 (180deg=0.0204) USER MOD Single : A 56 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : B 1 MSE N :NH3+ 179:sc= -0.576 (180deg=-0.592) USER MOD Single : B 2 SER OG : rot 101:sc= 0.0113 USER MOD Single : B 5 ASN :FLIP amide:sc= -0.0631 F(o=-2!,f=-0.063) USER MOD Single : B 6 TYR OH : rot 180:sc= 1.09 USER MOD Single : B 10 THR OG1 : rot 124:sc= 0.406 USER MOD Single : B 11 ASN :FLIP amide:sc= -1.62 F(o=-4.8!,f=-1.6) USER MOD Single : B 18 THR OG1 : rot 36:sc= 1.53 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0.663 X(o=0.66,f=0.52) USER MOD Single : B 24 THR OG1 : rot 161:sc= 1.34 USER MOD Single : B 32 SER OG : rot -41:sc= 2.15 USER MOD Single : B 33 TYR OH : rot 180:sc= 1.26 USER MOD Single : B 34 LYS NZ :NH3+ 166:sc= -0.0281 (180deg=-0.148) USER MOD Single : B 37 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : B 39 ASN : amide:sc= 1.05 X(o=1.1,f=0.73) USER MOD Single : B 40 LYS NZ :NH3+ -131:sc= -0.1 (180deg=-0.599) USER MOD Single : B 41 GLN : amide:sc= 1.05 K(o=1,f=-0.006) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : B 59 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-2.2!) USER MOD Single : C 5 ASN :FLIP amide:sc= -0.0345 F(o=-1.6!,f=-0.034) USER MOD Single : C 6 TYR OH : rot 30:sc= 1.04 USER MOD Single : C 10 THR OG1 : rot 152:sc= 1.15 USER MOD Single : C 11 ASN :FLIP amide:sc= -0.134 F(o=-2!,f=-0.13) USER MOD Single : C 18 THR OG1 : rot 106:sc= 0.569 USER MOD Single : C 21 LYS NZ :NH3+ -170:sc= 1.57 (180deg=1.46) USER MOD Single : C 24 THR OG1 : rot 158:sc= 1.33 USER MOD Single : C 32 SER OG : rot -86:sc= 0.692 USER MOD Single : C 33 TYR OH : rot 23:sc= 1.32 USER MOD Single : C 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : C 39 ASN : amide:sc=-0.00308 X(o=-0.0031,f=-0.3) USER MOD Single : C 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 41 GLN : amide:sc= 0.543 K(o=0.54,f=-0.49) USER MOD Single : C 49 LYS NZ :NH3+ 178:sc= 0.0709 (180deg=0.0677) USER MOD Single : C 56 ASN : amide:sc=-0.00728 X(o=-0.0073,f=-0.33) USER MOD Single : D 2 SER OG : rot 90:sc= 0.715 USER MOD Single : D 5 ASN : amide:sc= 0.134 K(o=0.13,f=-3.3!) USER MOD Single : D 6 TYR OH : rot 180:sc= 0 USER MOD Single : D 9 HIS : no HE2:sc= -0.161 K(o=-0.16,f=-2.5) USER MOD Single : D 10 THR OG1 : rot 169:sc= 0.129 USER MOD Single : D 11 ASN :FLIP amide:sc= -0.575 F(o=-3.2!,f=-0.57) USER MOD Single : D 15 SER OG : rot 14:sc= 0.443 USER MOD Single : D 18 THR OG1 : rot 106:sc= 0.871 USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 23 GLN : amide:sc=-0.00375 X(o=-0.0038,f=0) USER MOD Single : D 24 THR OG1 : rot 168:sc= 1.31 USER MOD Single : D 26 ASN : amide:sc= 1.78 K(o=1.8,f=0.39) USER MOD Single : D 32 SER OG : rot -45:sc= 0.84 USER MOD Single : D 33 TYR OH : rot 180:sc= 1.28 USER MOD Single : D 34 LYS NZ :NH3+ -122:sc= -0.534 (180deg=-0.815) USER MOD Single : D 37 ASN : amide:sc= 0.196 X(o=0.2,f=-0.0026) USER MOD Single : D 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 49 LYS NZ :NH3+ 131:sc= -0.0744 (180deg=-0.341) USER MOD Single : D 56 ASN : amide:sc=-0.00906 X(o=-0.0091,f=0) USER MOD Single : E 5 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : E 6 TYR OH : rot 180:sc= 0 USER MOD Single : E 10 THR OG1 : rot 150:sc= 0.483 USER MOD Single : E 11 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.75) USER MOD Single : E 18 THR OG1 : rot 101:sc= -0.864! USER MOD Single : E 21 LYS NZ :NH3+ -170:sc= 1.85 (180deg=1.79) USER MOD Single : E 24 THR OG1 : rot 160:sc= 1.29 USER MOD Single : E 26 ASN : amide:sc= 1.85 K(o=1.8,f=1.1) USER MOD Single : E 32 SER OG : rot -45:sc= 0.713 USER MOD Single : E 33 TYR OH : rot 180:sc= 1.11 USER MOD Single : E 34 LYS NZ :NH3+ -149:sc= -1.72 (180deg=-3.44!) USER MOD Single : E 37 ASN : amide:sc= -0.318 K(o=-0.32,f=-2) USER MOD Single : E 39 ASN : amide:sc= 0.0076 X(o=0.0076,f=0) USER MOD Single : E 40 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.445) USER MOD Single : E 41 GLN : amide:sc= -0.081 K(o=-0.081,f=-0.89) USER MOD Single : E 49 LYS NZ :NH3+ -143:sc= -1.63 (180deg=-3.74!) USER MOD Single : E 56 ASN :FLIP amide:sc= -0.0238 F(o=-1.6!,f=-0.024) USER MOD Single : F 5 ASN : amide:sc= 0.73 X(o=0.73,f=0.7) USER MOD Single : F 6 TYR OH : rot 180:sc= 1.33 USER MOD Single : F 10 THR OG1 : rot 170:sc= 1.47 USER MOD Single : F 11 ASN :FLIP amide:sc= -2.26! C(o=-6.7!,f=-2.3!) USER MOD Single : F 18 THR OG1 : rot 103:sc= 0.583 USER MOD Single : F 21 LYS NZ :NH3+ -174:sc= 1.9 (180deg=1.85) USER MOD Single : F 24 THR OG1 : rot 148:sc= 1.11 USER MOD Single : F 32 SER OG : rot -87:sc= 1.22 USER MOD Single : F 33 TYR OH : rot -174:sc= 1.26 USER MOD Single : F 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 37 ASN : amide:sc= 1.74 X(o=1.7,f=1.9) USER MOD Single : F 39 ASN : amide:sc= 0.744 X(o=0.74,f=0.6) USER MOD Single : F 40 LYS NZ :NH3+ 152:sc= 0.566 (180deg=0.288) USER MOD Single : F 41 GLN : amide:sc= 0.343 K(o=0.34,f=-5.3!) USER MOD Single : F 49 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 4 57.743 41.033 30.772 1.00 33.46 N ATOM 2 CA PRO A 4 58.000 42.076 31.790 1.00 32.77 C ATOM 3 C PRO A 4 59.177 41.665 32.670 1.00 31.93 C ATOM 4 O PRO A 4 59.180 41.919 33.876 1.00 31.65 O ATOM 5 CB PRO A 4 56.733 42.194 32.615 1.00 32.09 C ATOM 6 CG PRO A 4 56.218 40.769 32.546 1.00 31.41 C ATOM 7 CD PRO A 4 56.489 40.325 31.093 1.00 34.70 C ATOM 0 HA PRO A 4 58.225 42.926 31.380 1.00 32.77 H new ATOM 0 HB2 PRO A 4 56.912 42.477 33.525 1.00 32.09 H new ATOM 0 HB3 PRO A 4 56.106 42.831 32.238 1.00 32.09 H new ATOM 0 HG2 PRO A 4 56.677 40.197 33.181 1.00 31.41 H new ATOM 0 HG3 PRO A 4 55.272 40.725 32.757 1.00 31.41 H new ATOM 0 HD2 PRO A 4 56.589 39.363 31.022 1.00 34.70 H new ATOM 0 HD3 PRO A 4 55.767 40.580 30.497 1.00 34.70 H new ATOM 8 N ASN A 5 60.171 41.026 32.059 1.00 30.84 N ATOM 9 CA ASN A 5 61.348 40.580 32.788 1.00 28.75 C ATOM 10 C ASN A 5 62.333 41.726 32.973 1.00 27.73 C ATOM 11 O ASN A 5 62.312 42.708 32.225 1.00 27.80 O ATOM 12 CB ASN A 5 62.021 39.423 32.052 1.00 29.86 C ATOM 13 CG ASN A 5 61.069 38.276 31.784 1.00 31.51 C ATOM 14 OD1 ASN A 5 60.327 37.848 32.669 1.00 29.50 O ATOM 15 ND2 ASN A 5 61.091 37.764 30.557 1.00 31.26 N ATOM 0 H ASN A 5 60.181 40.841 31.219 1.00 30.84 H new ATOM 0 HA ASN A 5 61.065 40.273 33.664 1.00 28.75 H new ATOM 0 HB2 ASN A 5 62.381 39.744 31.211 1.00 29.86 H new ATOM 0 HB3 ASN A 5 62.771 39.102 32.577 1.00 29.86 H new ATOM 0 HD21 ASN A 5 60.573 37.108 30.356 1.00 31.26 H new ATOM 0 HD22 ASN A 5 61.623 38.089 29.965 1.00 31.26 H new ATOM 16 N TYR A 6 63.201 41.591 33.969 1.00 23.29 N ATOM 17 CA TYR A 6 64.176 42.628 34.273 1.00 21.12 C ATOM 18 C TYR A 6 65.521 42.057 34.677 1.00 19.15 C ATOM 19 O TYR A 6 65.650 40.878 35.008 1.00 17.84 O ATOM 20 CB TYR A 6 63.692 43.483 35.444 1.00 22.90 C ATOM 21 CG TYR A 6 62.485 44.338 35.172 1.00 23.30 C ATOM 22 CD1 TYR A 6 62.624 45.636 34.684 1.00 22.82 C ATOM 23 CD2 TYR A 6 61.200 43.863 35.429 1.00 22.88 C ATOM 24 CE1 TYR A 6 61.512 46.445 34.461 1.00 24.04 C ATOM 25 CE2 TYR A 6 60.082 44.664 35.211 1.00 24.22 C ATOM 26 CZ TYR A 6 60.245 45.955 34.730 1.00 23.54 C ATOM 27 OH TYR A 6 59.147 46.757 34.531 1.00 23.82 O ATOM 0 H TYR A 6 63.241 40.902 34.483 1.00 23.29 H new ATOM 0 HA TYR A 6 64.274 43.150 33.461 1.00 21.12 H new ATOM 0 HB2 TYR A 6 63.491 42.896 36.190 1.00 22.90 H new ATOM 0 HB3 TYR A 6 64.420 44.060 35.725 1.00 22.90 H new ATOM 0 HD1 TYR A 6 63.474 45.968 34.504 1.00 22.82 H new ATOM 0 HD2 TYR A 6 61.088 42.998 35.751 1.00 22.88 H new ATOM 0 HE1 TYR A 6 61.620 47.309 34.134 1.00 24.04 H new ATOM 0 HE2 TYR A 6 59.230 44.335 35.387 1.00 24.22 H new ATOM 0 HH TYR A 6 59.375 47.564 34.586 1.00 23.82 H new ATOM 28 N VAL A 7 66.524 42.921 34.640 1.00 18.85 N ATOM 29 CA VAL A 7 67.860 42.572 35.078 1.00 19.19 C ATOM 30 C VAL A 7 68.116 43.591 36.179 1.00 18.98 C ATOM 31 O VAL A 7 68.244 44.789 35.914 1.00 17.58 O ATOM 32 CB VAL A 7 68.920 42.727 33.960 1.00 20.04 C ATOM 33 CG1 VAL A 7 68.801 44.084 33.302 1.00 23.94 C ATOM 34 CG2 VAL A 7 70.318 42.560 34.553 1.00 18.10 C ATOM 0 H VAL A 7 66.446 43.730 34.358 1.00 18.85 H new ATOM 0 HA VAL A 7 67.924 41.644 35.354 1.00 19.19 H new ATOM 0 HB VAL A 7 68.769 42.043 33.289 1.00 20.04 H new ATOM 0 HG11 VAL A 7 69.471 44.166 32.605 1.00 23.94 H new ATOM 0 HG12 VAL A 7 67.917 44.179 32.914 1.00 23.94 H new ATOM 0 HG13 VAL A 7 68.939 44.779 33.965 1.00 23.94 H new ATOM 0 HG21 VAL A 7 70.981 42.657 33.852 1.00 18.10 H new ATOM 0 HG22 VAL A 7 70.465 43.237 35.232 1.00 18.10 H new ATOM 0 HG23 VAL A 7 70.397 41.680 34.952 1.00 18.10 H new HETATM 35 N MSE A 8 68.150 43.120 37.421 1.00 18.07 N HETATM 36 CA MSE A 8 68.387 44.006 38.549 1.00 18.53 C HETATM 37 C MSE A 8 69.886 44.183 38.756 1.00 17.70 C HETATM 38 O MSE A 8 70.627 43.208 38.809 1.00 17.19 O HETATM 39 CB MSE A 8 67.768 43.434 39.833 1.00 18.72 C HETATM 40 CG MSE A 8 66.280 43.139 39.757 1.00 23.09 C HETATM 41 SE MSE A 8 65.523 42.694 41.493 1.00 31.13 SE HETATM 42 CE MSE A 8 66.428 41.001 41.794 1.00 26.49 C HETATM 0 H MSE A 8 68.038 42.293 37.629 1.00 18.07 H new HETATM 0 HA MSE A 8 67.974 44.862 38.355 1.00 18.53 H new HETATM 0 HB2 MSE A 8 68.234 42.615 40.063 1.00 18.72 H new HETATM 0 HB3 MSE A 8 67.922 44.061 40.557 1.00 18.72 H new HETATM 0 HG2 MSE A 8 65.818 43.911 39.394 1.00 23.09 H new HETATM 0 HG3 MSE A 8 66.130 42.403 39.143 1.00 23.09 H new HETATM 0 HE1 MSE A 8 66.151 40.633 42.648 1.00 26.49 H new HETATM 0 HE2 MSE A 8 66.198 40.380 41.085 1.00 26.49 H new HETATM 0 HE3 MSE A 8 67.387 41.143 41.800 1.00 26.49 H new ATOM 43 N HIS A 9 70.328 45.431 38.856 1.00 15.99 N ATOM 44 CA HIS A 9 71.730 45.728 39.094 1.00 15.35 C ATOM 45 C HIS A 9 71.837 46.023 40.587 1.00 14.54 C ATOM 46 O HIS A 9 71.290 47.016 41.064 1.00 14.17 O ATOM 47 CB HIS A 9 72.161 46.954 38.279 1.00 16.63 C ATOM 48 CG HIS A 9 72.267 46.700 36.807 1.00 19.01 C ATOM 49 ND1 HIS A 9 72.389 47.715 35.883 1.00 20.62 N ATOM 50 CD2 HIS A 9 72.304 45.543 36.101 1.00 20.46 C ATOM 51 CE1 HIS A 9 72.499 47.196 34.671 1.00 19.27 C ATOM 52 NE2 HIS A 9 72.450 45.881 34.778 1.00 20.63 N ATOM 0 H HIS A 9 69.825 46.125 38.788 1.00 15.99 H new ATOM 0 HA HIS A 9 72.303 44.992 38.829 1.00 15.35 H new ATOM 0 HB2 HIS A 9 71.525 47.671 38.429 1.00 16.63 H new ATOM 0 HB3 HIS A 9 73.020 47.263 38.607 1.00 16.63 H new ATOM 0 HD1 HIS A 9 72.393 48.555 36.066 1.00 20.62 H new ATOM 0 HD2 HIS A 9 72.242 44.682 36.448 1.00 20.46 H new ATOM 0 HE1 HIS A 9 72.594 47.675 33.880 1.00 19.27 H new ATOM 53 N THR A 10 72.524 45.157 41.324 1.00 13.59 N ATOM 54 CA THR A 10 72.667 45.343 42.765 1.00 13.83 C ATOM 55 C THR A 10 73.830 46.267 43.093 1.00 16.57 C ATOM 56 O THR A 10 74.617 46.633 42.219 1.00 17.15 O ATOM 57 CB THR A 10 72.923 44.007 43.478 1.00 12.54 C ATOM 58 OG1 THR A 10 74.208 43.509 43.093 1.00 12.66 O ATOM 59 CG2 THR A 10 71.853 42.984 43.104 1.00 11.40 C ATOM 0 H THR A 10 72.914 44.457 41.011 1.00 13.59 H new ATOM 0 HA THR A 10 71.834 45.733 43.072 1.00 13.83 H new ATOM 0 HB THR A 10 72.893 44.152 44.437 1.00 12.54 H new ATOM 0 HG1 THR A 10 74.657 43.331 43.780 1.00 12.66 H new ATOM 0 HG21 THR A 10 72.030 42.148 43.563 1.00 11.40 H new ATOM 0 HG22 THR A 10 70.981 43.317 43.366 1.00 11.40 H new ATOM 0 HG23 THR A 10 71.868 42.836 42.145 1.00 11.40 H new ATOM 60 N ASN A 11 73.938 46.641 44.361 1.00 17.34 N ATOM 61 CA ASN A 11 75.022 47.506 44.789 1.00 20.42 C ATOM 62 C ASN A 11 76.245 46.692 45.188 1.00 22.71 C ATOM 63 O ASN A 11 77.274 47.255 45.560 1.00 25.77 O ATOM 64 CB ASN A 11 74.569 48.405 45.942 1.00 17.05 C ATOM 65 CG ASN A 11 73.699 49.555 45.464 1.00 18.11 C ATOM 66 OD1 ASN A 11 74.067 50.274 44.532 1.00 14.23 O ATOM 67 ND2 ASN A 11 72.549 49.737 46.097 1.00 14.52 N ATOM 0 H ASN A 11 73.396 46.405 44.985 1.00 17.34 H new ATOM 0 HA ASN A 11 75.271 48.071 44.040 1.00 20.42 H new ATOM 0 HB2 ASN A 11 74.076 47.876 46.589 1.00 17.05 H new ATOM 0 HB3 ASN A 11 75.348 48.759 46.399 1.00 17.05 H new ATOM 0 HD21 ASN A 11 72.025 50.377 45.862 1.00 14.52 H new ATOM 0 HD22 ASN A 11 72.326 49.215 46.743 1.00 14.52 H new ATOM 68 N ASP A 12 76.129 45.368 45.125 1.00 24.65 N ATOM 69 CA ASP A 12 77.265 44.513 45.446 1.00 26.06 C ATOM 70 C ASP A 12 77.808 43.862 44.181 1.00 26.72 C ATOM 71 O ASP A 12 78.331 42.752 44.212 1.00 28.87 O ATOM 72 CB ASP A 12 76.911 43.442 46.496 1.00 26.51 C ATOM 73 CG ASP A 12 75.718 42.587 46.108 1.00 28.01 C ATOM 74 OD1 ASP A 12 75.585 42.227 44.920 1.00 29.12 O ATOM 75 OD2 ASP A 12 74.919 42.252 47.009 1.00 28.18 O ATOM 0 H ASP A 12 75.411 44.951 44.902 1.00 24.65 H new ATOM 0 HA ASP A 12 77.952 45.077 45.835 1.00 26.06 H new ATOM 0 HB2 ASP A 12 77.680 42.868 46.634 1.00 26.51 H new ATOM 0 HB3 ASP A 12 76.726 43.878 47.343 1.00 26.51 H new ATOM 76 N GLY A 13 77.663 44.568 43.063 1.00 26.68 N ATOM 77 CA GLY A 13 78.170 44.089 41.789 1.00 27.26 C ATOM 78 C GLY A 13 77.520 42.877 41.150 1.00 26.28 C ATOM 79 O GLY A 13 78.214 42.057 40.551 1.00 30.09 O ATOM 0 H GLY A 13 77.270 45.332 43.025 1.00 26.68 H new ATOM 0 HA2 GLY A 13 78.111 44.821 41.156 1.00 27.26 H new ATOM 0 HA3 GLY A 13 79.112 43.890 41.905 1.00 27.26 H new ATOM 80 N ARG A 14 76.202 42.753 41.256 1.00 24.68 N ATOM 81 CA ARG A 14 75.504 41.622 40.655 1.00 22.60 C ATOM 82 C ARG A 14 74.438 42.044 39.645 1.00 21.40 C ATOM 83 O ARG A 14 73.912 43.157 39.698 1.00 19.41 O ATOM 84 CB ARG A 14 74.826 40.769 41.731 1.00 22.44 C ATOM 85 CG ARG A 14 75.746 39.883 42.546 1.00 24.85 C ATOM 86 CD ARG A 14 74.926 39.029 43.507 1.00 25.92 C ATOM 87 NE ARG A 14 74.311 39.839 44.556 1.00 26.10 N ATOM 88 CZ ARG A 14 73.379 39.399 45.394 1.00 26.77 C ATOM 89 NH1 ARG A 14 72.939 38.151 45.307 1.00 28.94 N ATOM 90 NH2 ARG A 14 72.902 40.202 46.332 1.00 26.66 N ATOM 0 H ARG A 14 75.694 43.310 41.670 1.00 24.68 H new ATOM 0 HA ARG A 14 76.185 41.113 40.188 1.00 22.60 H new ATOM 0 HB2 ARG A 14 74.353 41.360 42.337 1.00 22.44 H new ATOM 0 HB3 ARG A 14 74.160 40.208 41.303 1.00 22.44 H new ATOM 0 HG2 ARG A 14 76.265 39.313 41.957 1.00 24.85 H new ATOM 0 HG3 ARG A 14 76.377 40.428 43.042 1.00 24.85 H new ATOM 0 HD2 ARG A 14 74.236 38.558 43.014 1.00 25.92 H new ATOM 0 HD3 ARG A 14 75.496 38.356 43.910 1.00 25.92 H new ATOM 0 HE ARG A 14 74.570 40.655 44.636 1.00 26.10 H new ATOM 0 HH11 ARG A 14 73.257 37.624 44.707 1.00 28.94 H new ATOM 0 HH12 ARG A 14 72.336 37.869 45.851 1.00 28.94 H new ATOM 0 HH21 ARG A 14 73.196 41.008 46.398 1.00 26.66 H new ATOM 0 HH22 ARG A 14 72.299 39.918 46.875 1.00 26.66 H new ATOM 91 N SER A 15 74.139 41.141 38.717 1.00 19.62 N ATOM 92 CA SER A 15 73.102 41.358 37.717 1.00 19.28 C ATOM 93 C SER A 15 72.176 40.161 37.841 1.00 20.00 C ATOM 94 O SER A 15 72.524 39.047 37.444 1.00 19.42 O ATOM 95 CB SER A 15 73.691 41.426 36.306 1.00 20.06 C ATOM 96 OG SER A 15 74.222 42.713 36.049 1.00 19.11 O ATOM 0 H SER A 15 74.535 40.381 38.650 1.00 19.62 H new ATOM 0 HA SER A 15 72.643 42.200 37.862 1.00 19.28 H new ATOM 0 HB2 SER A 15 74.387 40.758 36.208 1.00 20.06 H new ATOM 0 HB3 SER A 15 73.004 41.218 35.653 1.00 20.06 H new ATOM 0 HG SER A 15 74.542 42.734 35.273 1.00 19.11 H new ATOM 97 N ILE A 16 70.998 40.390 38.410 1.00 18.05 N ATOM 98 CA ILE A 16 70.033 39.318 38.614 1.00 17.78 C ATOM 99 C ILE A 16 68.849 39.402 37.655 1.00 18.03 C ATOM 100 O ILE A 16 68.123 40.395 37.627 1.00 16.22 O ATOM 101 CB ILE A 16 69.518 39.334 40.071 1.00 17.72 C ATOM 102 CG1 ILE A 16 70.709 39.251 41.031 1.00 18.96 C ATOM 103 CG2 ILE A 16 68.573 38.170 40.310 1.00 19.18 C ATOM 104 CD1 ILE A 16 70.352 39.455 42.499 1.00 18.26 C ATOM 0 H ILE A 16 70.738 41.162 38.686 1.00 18.05 H new ATOM 0 HA ILE A 16 70.497 38.486 38.433 1.00 17.78 H new ATOM 0 HB ILE A 16 69.033 40.159 40.229 1.00 17.72 H new ATOM 0 HG12 ILE A 16 71.132 38.384 40.930 1.00 18.96 H new ATOM 0 HG13 ILE A 16 71.365 39.918 40.773 1.00 18.96 H new ATOM 0 HG21 ILE A 16 68.258 38.192 41.227 1.00 19.18 H new ATOM 0 HG22 ILE A 16 67.817 38.238 39.707 1.00 19.18 H new ATOM 0 HG23 ILE A 16 69.040 37.335 40.149 1.00 19.18 H new ATOM 0 HD11 ILE A 16 71.155 39.388 43.040 1.00 18.26 H new ATOM 0 HD12 ILE A 16 69.955 40.332 42.617 1.00 18.26 H new ATOM 0 HD13 ILE A 16 69.719 38.774 42.776 1.00 18.26 H new ATOM 105 N VAL A 17 68.667 38.349 36.863 1.00 17.70 N ATOM 106 CA VAL A 17 67.565 38.284 35.907 1.00 19.06 C ATOM 107 C VAL A 17 66.312 37.860 36.663 1.00 18.80 C ATOM 108 O VAL A 17 66.375 36.979 37.522 1.00 19.41 O ATOM 109 CB VAL A 17 67.846 37.242 34.806 1.00 20.30 C ATOM 110 CG1 VAL A 17 66.752 37.288 33.757 1.00 21.35 C ATOM 111 CG2 VAL A 17 69.211 37.495 34.185 1.00 20.26 C ATOM 0 H VAL A 17 69.176 37.656 36.864 1.00 17.70 H new ATOM 0 HA VAL A 17 67.456 39.153 35.490 1.00 19.06 H new ATOM 0 HB VAL A 17 67.852 36.355 35.198 1.00 20.30 H new ATOM 0 HG11 VAL A 17 66.936 36.630 33.068 1.00 21.35 H new ATOM 0 HG12 VAL A 17 65.897 37.091 34.172 1.00 21.35 H new ATOM 0 HG13 VAL A 17 66.722 38.172 33.359 1.00 21.35 H new ATOM 0 HG21 VAL A 17 69.380 36.836 33.494 1.00 20.26 H new ATOM 0 HG22 VAL A 17 69.230 38.383 33.795 1.00 20.26 H new ATOM 0 HG23 VAL A 17 69.895 37.428 34.869 1.00 20.26 H new ATOM 112 N THR A 18 65.178 38.481 36.352 1.00 17.07 N ATOM 113 CA THR A 18 63.931 38.138 37.034 1.00 18.21 C ATOM 114 C THR A 18 62.883 37.611 36.066 1.00 19.02 C ATOM 115 O THR A 18 62.934 37.886 34.868 1.00 18.07 O ATOM 116 CB THR A 18 63.317 39.357 37.759 1.00 19.79 C ATOM 117 OG1 THR A 18 62.747 40.252 36.795 1.00 20.11 O ATOM 118 CG2 THR A 18 64.385 40.094 38.559 1.00 19.72 C ATOM 0 H THR A 18 65.108 39.097 35.756 1.00 17.07 H new ATOM 0 HA THR A 18 64.168 37.451 37.677 1.00 18.21 H new ATOM 0 HB THR A 18 62.628 39.043 38.366 1.00 19.79 H new ATOM 0 HG1 THR A 18 61.909 40.205 36.830 1.00 20.11 H new ATOM 0 HG21 THR A 18 63.985 40.855 39.008 1.00 19.72 H new ATOM 0 HG22 THR A 18 64.767 39.494 39.219 1.00 19.72 H new ATOM 0 HG23 THR A 18 65.083 40.402 37.960 1.00 19.72 H new ATOM 119 N ASP A 19 61.938 36.847 36.603 1.00 19.84 N ATOM 120 CA ASP A 19 60.845 36.285 35.820 1.00 21.53 C ATOM 121 C ASP A 19 59.589 37.037 36.232 1.00 21.67 C ATOM 122 O ASP A 19 58.949 36.708 37.237 1.00 23.59 O ATOM 123 CB ASP A 19 60.678 34.796 36.123 1.00 22.49 C ATOM 124 CG ASP A 19 59.522 34.175 35.362 1.00 26.03 C ATOM 125 OD1 ASP A 19 59.470 34.334 34.124 1.00 29.98 O ATOM 126 OD2 ASP A 19 58.667 33.527 35.997 1.00 28.50 O ATOM 0 H ASP A 19 61.913 36.639 37.437 1.00 19.84 H new ATOM 0 HA ASP A 19 61.020 36.374 34.870 1.00 21.53 H new ATOM 0 HB2 ASP A 19 61.498 34.329 35.898 1.00 22.49 H new ATOM 0 HB3 ASP A 19 60.536 34.677 37.075 1.00 22.49 H new ATOM 127 N GLY A 20 59.234 38.048 35.448 1.00 19.21 N ATOM 128 CA GLY A 20 58.074 38.853 35.771 1.00 18.05 C ATOM 129 C GLY A 20 58.566 40.076 36.522 1.00 14.64 C ATOM 130 O GLY A 20 59.756 40.187 36.819 1.00 15.85 O ATOM 0 H GLY A 20 59.650 38.280 34.732 1.00 19.21 H new ATOM 0 HA2 GLY A 20 57.604 39.114 34.964 1.00 18.05 H new ATOM 0 HA3 GLY A 20 57.448 38.348 36.313 1.00 18.05 H new ATOM 131 N LYS A 21 57.665 40.994 36.837 1.00 12.58 N ATOM 132 CA LYS A 21 58.051 42.208 37.540 1.00 11.42 C ATOM 133 C LYS A 21 58.132 42.005 39.048 1.00 10.91 C ATOM 134 O LYS A 21 57.194 41.507 39.673 1.00 11.88 O ATOM 135 CB LYS A 21 57.057 43.328 37.230 1.00 12.22 C ATOM 136 CG LYS A 21 57.427 44.673 37.834 1.00 14.14 C ATOM 137 CD LYS A 21 56.437 45.751 37.418 1.00 16.09 C ATOM 138 CE LYS A 21 56.802 47.099 38.024 1.00 15.35 C ATOM 139 NZ LYS A 21 55.805 48.157 37.703 1.00 16.05 N ATOM 0 H LYS A 21 56.827 40.934 36.654 1.00 12.58 H new ATOM 0 HA LYS A 21 58.937 42.450 37.228 1.00 11.42 H new ATOM 0 HB2 LYS A 21 56.985 43.426 36.268 1.00 12.22 H new ATOM 0 HB3 LYS A 21 56.181 43.069 37.555 1.00 12.22 H new ATOM 0 HG2 LYS A 21 57.445 44.602 38.801 1.00 14.14 H new ATOM 0 HG3 LYS A 21 58.320 44.923 37.551 1.00 14.14 H new ATOM 0 HD2 LYS A 21 56.421 45.822 36.451 1.00 16.09 H new ATOM 0 HD3 LYS A 21 55.544 45.499 37.699 1.00 16.09 H new ATOM 0 HE2 LYS A 21 56.874 47.008 38.987 1.00 15.35 H new ATOM 0 HE3 LYS A 21 57.674 47.371 37.698 1.00 15.35 H new ATOM 0 HZ1 LYS A 21 56.142 48.955 37.908 1.00 16.05 H new ATOM 0 HZ2 LYS A 21 55.613 48.131 36.834 1.00 16.05 H new ATOM 0 HZ3 LYS A 21 55.063 48.019 38.174 1.00 16.05 H new ATOM 140 N PRO A 22 59.268 42.373 39.656 1.00 11.81 N ATOM 141 CA PRO A 22 59.357 42.194 41.107 1.00 11.99 C ATOM 142 C PRO A 22 58.458 43.189 41.835 1.00 12.77 C ATOM 143 O PRO A 22 57.906 44.107 41.229 1.00 11.51 O ATOM 144 CB PRO A 22 60.845 42.419 41.401 1.00 13.31 C ATOM 145 CG PRO A 22 61.302 43.295 40.291 1.00 16.66 C ATOM 146 CD PRO A 22 60.562 42.782 39.081 1.00 12.14 C ATOM 0 HA PRO A 22 59.054 41.324 41.411 1.00 11.99 H new ATOM 0 HB2 PRO A 22 60.977 42.841 42.264 1.00 13.31 H new ATOM 0 HB3 PRO A 22 61.334 41.582 41.417 1.00 13.31 H new ATOM 0 HG2 PRO A 22 61.092 44.226 40.466 1.00 16.66 H new ATOM 0 HG3 PRO A 22 62.263 43.239 40.168 1.00 16.66 H new ATOM 0 HD2 PRO A 22 60.456 43.468 38.403 1.00 12.14 H new ATOM 0 HD3 PRO A 22 61.024 42.038 38.663 1.00 12.14 H new ATOM 147 N GLN A 23 58.275 42.988 43.132 1.00 13.23 N ATOM 148 CA GLN A 23 57.469 43.919 43.903 1.00 14.41 C ATOM 149 C GLN A 23 57.739 43.809 45.389 1.00 13.28 C ATOM 150 O GLN A 23 58.263 42.810 45.868 1.00 14.36 O ATOM 151 CB GLN A 23 55.975 43.740 43.615 1.00 17.64 C ATOM 152 CG GLN A 23 55.385 42.392 43.951 1.00 24.69 C ATOM 153 CD GLN A 23 53.930 42.310 43.519 1.00 29.45 C ATOM 154 OE1 GLN A 23 53.618 42.439 42.334 1.00 34.01 O ATOM 155 NE2 GLN A 23 53.034 42.113 44.476 1.00 28.40 N ATOM 0 H GLN A 23 58.603 42.330 43.578 1.00 13.23 H new ATOM 0 HA GLN A 23 57.729 44.810 43.621 1.00 14.41 H new ATOM 0 HB2 GLN A 23 55.487 44.417 44.109 1.00 17.64 H new ATOM 0 HB3 GLN A 23 55.824 43.912 42.672 1.00 17.64 H new ATOM 0 HG2 GLN A 23 55.896 41.694 43.513 1.00 24.69 H new ATOM 0 HG3 GLN A 23 55.452 42.235 44.906 1.00 24.69 H new ATOM 0 HE21 GLN A 23 53.289 42.027 45.293 1.00 28.40 H new ATOM 0 HE22 GLN A 23 52.198 42.071 44.280 1.00 28.40 H new ATOM 156 N THR A 24 57.384 44.860 46.112 1.00 13.12 N ATOM 157 CA THR A 24 57.591 44.896 47.543 1.00 12.33 C ATOM 158 C THR A 24 56.776 43.814 48.227 1.00 11.62 C ATOM 159 O THR A 24 55.581 43.662 47.961 1.00 10.81 O ATOM 160 CB THR A 24 57.178 46.251 48.102 1.00 13.73 C ATOM 161 OG1 THR A 24 57.796 47.283 47.325 1.00 12.14 O ATOM 162 CG2 THR A 24 57.608 46.374 49.559 1.00 10.77 C ATOM 0 H THR A 24 57.019 45.567 45.787 1.00 13.12 H new ATOM 0 HA THR A 24 58.534 44.745 47.713 1.00 12.33 H new ATOM 0 HB THR A 24 56.213 46.338 48.057 1.00 13.73 H new ATOM 0 HG1 THR A 24 57.237 47.892 47.172 1.00 12.14 H new ATOM 0 HG21 THR A 24 57.340 47.240 49.904 1.00 10.77 H new ATOM 0 HG22 THR A 24 57.186 45.674 50.081 1.00 10.77 H new ATOM 0 HG23 THR A 24 58.572 46.286 49.621 1.00 10.77 H new ATOM 163 N ASP A 25 57.432 43.050 49.093 1.00 10.86 N ATOM 164 CA ASP A 25 56.760 41.990 49.834 1.00 8.99 C ATOM 165 C ASP A 25 55.838 42.640 50.864 1.00 8.14 C ATOM 166 O ASP A 25 56.272 43.490 51.645 1.00 5.79 O ATOM 167 CB ASP A 25 57.803 41.094 50.518 1.00 11.33 C ATOM 168 CG ASP A 25 57.179 39.930 51.262 1.00 10.73 C ATOM 169 OD1 ASP A 25 56.692 40.128 52.395 1.00 12.29 O ATOM 170 OD2 ASP A 25 57.168 38.812 50.703 1.00 12.80 O ATOM 0 H ASP A 25 58.271 43.130 49.266 1.00 10.86 H new ATOM 0 HA ASP A 25 56.236 41.434 49.237 1.00 8.99 H new ATOM 0 HB2 ASP A 25 58.418 40.753 49.850 1.00 11.33 H new ATOM 0 HB3 ASP A 25 58.324 41.627 51.138 1.00 11.33 H new ATOM 171 N ASN A 26 54.563 42.246 50.850 1.00 7.58 N ATOM 172 CA ASN A 26 53.557 42.791 51.768 1.00 8.31 C ATOM 173 C ASN A 26 53.887 42.584 53.248 1.00 8.71 C ATOM 174 O ASN A 26 53.441 43.358 54.102 1.00 9.12 O ATOM 175 CB ASN A 26 52.193 42.145 51.513 1.00 9.40 C ATOM 176 CG ASN A 26 51.547 42.593 50.217 1.00 12.32 C ATOM 177 OD1 ASN A 26 52.028 43.697 49.654 1.00 13.48 O flip ATOM 178 ND2 ASN A 26 50.605 41.955 49.739 1.00 7.58 N flip ATOM 0 H ASN A 26 54.256 41.654 50.307 1.00 7.58 H new ATOM 0 HA ASN A 26 53.546 43.744 51.589 1.00 8.31 H new ATOM 0 HB2 ASN A 26 52.297 41.181 51.498 1.00 9.40 H new ATOM 0 HB3 ASN A 26 51.600 42.355 52.251 1.00 9.40 H new ATOM 0 HD21 ASN A 26 50.322 41.245 50.133 1.00 7.58 H new ATOM 0 HD22 ASN A 26 50.231 42.220 49.011 1.00 7.58 H new ATOM 179 N ASP A 27 54.640 41.531 53.554 1.00 7.34 N ATOM 180 CA ASP A 27 54.985 41.219 54.942 1.00 9.39 C ATOM 181 C ASP A 27 56.298 41.808 55.454 1.00 9.25 C ATOM 182 O ASP A 27 56.361 42.289 56.582 1.00 9.86 O ATOM 183 CB ASP A 27 55.049 39.693 55.157 1.00 8.83 C ATOM 184 CG ASP A 27 53.750 38.984 54.808 1.00 14.48 C ATOM 185 OD1 ASP A 27 52.693 39.350 55.363 1.00 16.62 O ATOM 186 OD2 ASP A 27 53.787 38.050 53.974 1.00 16.20 O ATOM 0 H ASP A 27 54.962 40.984 52.974 1.00 7.34 H new ATOM 0 HA ASP A 27 54.272 41.638 55.449 1.00 9.39 H new ATOM 0 HB2 ASP A 27 55.766 39.326 54.617 1.00 8.83 H new ATOM 0 HB3 ASP A 27 55.271 39.512 56.084 1.00 8.83 H new ATOM 187 N THR A 28 57.339 41.762 54.628 1.00 8.94 N ATOM 188 CA THR A 28 58.659 42.222 55.046 1.00 8.81 C ATOM 189 C THR A 28 59.121 43.588 54.592 1.00 7.91 C ATOM 190 O THR A 28 59.970 44.194 55.245 1.00 8.14 O ATOM 191 CB THR A 28 59.753 41.234 54.604 1.00 9.75 C ATOM 192 OG1 THR A 28 59.868 41.257 53.175 1.00 9.05 O ATOM 193 CG2 THR A 28 59.417 39.829 55.059 1.00 10.43 C ATOM 0 H THR A 28 57.302 41.468 53.821 1.00 8.94 H new ATOM 0 HA THR A 28 58.536 42.281 56.006 1.00 8.81 H new ATOM 0 HB THR A 28 60.594 41.500 55.008 1.00 9.75 H new ATOM 0 HG1 THR A 28 60.361 40.625 52.923 1.00 9.05 H new ATOM 0 HG21 THR A 28 60.116 39.220 54.773 1.00 10.43 H new ATOM 0 HG22 THR A 28 59.348 39.810 56.026 1.00 10.43 H new ATOM 0 HG23 THR A 28 58.571 39.556 54.670 1.00 10.43 H new ATOM 194 N GLY A 29 58.573 44.076 53.485 1.00 6.80 N ATOM 195 CA GLY A 29 59.002 45.359 52.968 1.00 7.34 C ATOM 196 C GLY A 29 60.216 45.159 52.074 1.00 6.91 C ATOM 197 O GLY A 29 60.774 46.116 51.542 1.00 8.37 O ATOM 0 H GLY A 29 57.960 43.683 53.027 1.00 6.80 H new ATOM 0 HA2 GLY A 29 58.283 45.774 52.467 1.00 7.34 H new ATOM 0 HA3 GLY A 29 59.221 45.958 53.699 1.00 7.34 H new HETATM 198 N MSE A 30 60.645 43.910 51.921 1.00 6.30 N HETATM 199 CA MSE A 30 61.787 43.604 51.063 1.00 8.45 C HETATM 200 C MSE A 30 61.268 43.539 49.636 1.00 9.14 C HETATM 201 O MSE A 30 60.055 43.562 49.401 1.00 9.16 O HETATM 202 CB MSE A 30 62.390 42.238 51.424 1.00 11.35 C HETATM 203 CG MSE A 30 62.878 42.112 52.852 1.00 18.12 C HETATM 204 SE MSE A 30 64.707 42.691 53.096 1.00 26.53 SE HETATM 205 CE MSE A 30 64.450 44.601 52.911 1.00 26.55 C HETATM 0 H MSE A 30 60.290 43.226 52.304 1.00 6.30 H new HETATM 0 HA MSE A 30 62.472 44.282 51.172 1.00 8.45 H new HETATM 0 HB2 MSE A 30 61.723 41.552 51.262 1.00 11.35 H new HETATM 0 HB3 MSE A 30 63.132 42.059 50.826 1.00 11.35 H new HETATM 0 HG2 MSE A 30 62.301 42.634 53.431 1.00 18.12 H new HETATM 0 HG3 MSE A 30 62.799 41.187 53.133 1.00 18.12 H new HETATM 0 HE1 MSE A 30 65.302 45.054 53.011 1.00 26.55 H new HETATM 0 HE2 MSE A 30 64.082 44.795 52.035 1.00 26.55 H new HETATM 0 HE3 MSE A 30 63.837 44.913 53.595 1.00 26.55 H new ATOM 206 N ILE A 31 62.179 43.465 48.678 1.00 9.02 N ATOM 207 CA ILE A 31 61.759 43.348 47.294 1.00 9.76 C ATOM 208 C ILE A 31 61.664 41.863 46.999 1.00 8.61 C ATOM 209 O ILE A 31 62.630 41.132 47.171 1.00 7.44 O ATOM 210 CB ILE A 31 62.767 43.979 46.322 1.00 10.79 C ATOM 211 CG1 ILE A 31 62.741 45.502 46.467 1.00 15.11 C ATOM 212 CG2 ILE A 31 62.428 43.578 44.891 1.00 11.90 C ATOM 213 CD1 ILE A 31 63.622 46.223 45.471 1.00 23.88 C ATOM 0 H ILE A 31 63.030 43.480 48.805 1.00 9.02 H new ATOM 0 HA ILE A 31 60.916 43.813 47.173 1.00 9.76 H new ATOM 0 HB ILE A 31 63.658 43.659 46.532 1.00 10.79 H new ATOM 0 HG12 ILE A 31 61.828 45.813 46.364 1.00 15.11 H new ATOM 0 HG13 ILE A 31 63.021 45.738 47.365 1.00 15.11 H new ATOM 0 HG21 ILE A 31 63.068 43.979 44.282 1.00 11.90 H new ATOM 0 HG22 ILE A 31 62.465 42.612 44.808 1.00 11.90 H new ATOM 0 HG23 ILE A 31 61.535 43.887 44.671 1.00 11.90 H new ATOM 0 HD11 ILE A 31 63.560 47.180 45.617 1.00 23.88 H new ATOM 0 HD12 ILE A 31 64.542 45.938 45.587 1.00 23.88 H new ATOM 0 HD13 ILE A 31 63.330 46.014 44.570 1.00 23.88 H new ATOM 214 N SER A 32 60.483 41.428 46.577 1.00 9.81 N ATOM 215 CA SER A 32 60.255 40.030 46.246 1.00 13.42 C ATOM 216 C SER A 32 60.365 39.859 44.737 1.00 13.02 C ATOM 217 O SER A 32 59.857 40.688 43.978 1.00 14.24 O ATOM 218 CB SER A 32 58.859 39.601 46.704 1.00 14.11 C ATOM 219 OG SER A 32 58.568 38.287 46.258 1.00 20.16 O ATOM 0 H SER A 32 59.795 41.933 46.475 1.00 9.81 H new ATOM 0 HA SER A 32 60.916 39.480 46.695 1.00 13.42 H new ATOM 0 HB2 SER A 32 58.805 39.639 47.672 1.00 14.11 H new ATOM 0 HB3 SER A 32 58.196 40.219 46.359 1.00 14.11 H new ATOM 0 HG SER A 32 58.245 38.319 45.483 1.00 20.16 H new ATOM 220 N TYR A 33 61.024 38.789 44.304 1.00 13.14 N ATOM 221 CA TYR A 33 61.173 38.519 42.878 1.00 13.42 C ATOM 222 C TYR A 33 61.270 37.025 42.599 1.00 15.92 C ATOM 223 O TYR A 33 61.460 36.227 43.519 1.00 15.54 O ATOM 224 CB TYR A 33 62.404 39.245 42.325 1.00 12.49 C ATOM 225 CG TYR A 33 63.741 38.709 42.794 1.00 13.46 C ATOM 226 CD1 TYR A 33 64.455 37.798 42.015 1.00 15.77 C ATOM 227 CD2 TYR A 33 64.307 39.131 43.998 1.00 12.86 C ATOM 228 CE1 TYR A 33 65.708 37.323 42.419 1.00 15.99 C ATOM 229 CE2 TYR A 33 65.563 38.660 44.413 1.00 13.12 C ATOM 230 CZ TYR A 33 66.254 37.758 43.611 1.00 16.66 C ATOM 231 OH TYR A 33 67.500 37.314 43.980 1.00 17.14 O ATOM 0 H TYR A 33 61.392 38.207 44.819 1.00 13.14 H new ATOM 0 HA TYR A 33 60.381 38.853 42.429 1.00 13.42 H new ATOM 0 HB2 TYR A 33 62.378 39.202 41.356 1.00 12.49 H new ATOM 0 HB3 TYR A 33 62.345 40.182 42.569 1.00 12.49 H new ATOM 0 HD1 TYR A 33 64.092 37.501 41.212 1.00 15.77 H new ATOM 0 HD2 TYR A 33 63.845 39.734 44.534 1.00 12.86 H new ATOM 0 HE1 TYR A 33 66.171 36.717 41.887 1.00 15.99 H new ATOM 0 HE2 TYR A 33 65.930 38.949 45.217 1.00 13.12 H new ATOM 0 HH TYR A 33 67.711 37.653 44.719 1.00 17.14 H new ATOM 232 N LYS A 34 61.112 36.652 41.330 1.00 17.17 N ATOM 233 CA LYS A 34 61.197 35.253 40.914 1.00 22.37 C ATOM 234 C LYS A 34 62.480 35.080 40.102 1.00 23.35 C ATOM 235 O LYS A 34 62.687 35.781 39.110 1.00 23.16 O ATOM 236 CB LYS A 34 59.994 34.877 40.044 1.00 24.29 C ATOM 237 CG LYS A 34 58.638 35.182 40.659 1.00 29.89 C ATOM 238 CD LYS A 34 58.377 34.356 41.912 1.00 33.09 C ATOM 239 CE LYS A 34 57.038 34.724 42.537 1.00 34.57 C ATOM 240 NZ LYS A 34 55.920 34.559 41.569 1.00 38.44 N ATOM 0 H LYS A 34 60.953 37.201 40.688 1.00 17.17 H new ATOM 0 HA LYS A 34 61.201 34.679 41.696 1.00 22.37 H new ATOM 0 HB2 LYS A 34 60.064 35.347 39.198 1.00 24.29 H new ATOM 0 HB3 LYS A 34 60.039 33.928 39.846 1.00 24.29 H new ATOM 0 HG2 LYS A 34 58.589 36.125 40.879 1.00 29.89 H new ATOM 0 HG3 LYS A 34 57.942 35.007 40.007 1.00 29.89 H new ATOM 0 HD2 LYS A 34 58.385 33.412 41.689 1.00 33.09 H new ATOM 0 HD3 LYS A 34 59.089 34.502 42.554 1.00 33.09 H new ATOM 0 HE2 LYS A 34 56.879 34.167 43.315 1.00 34.57 H new ATOM 0 HE3 LYS A 34 57.066 35.643 42.847 1.00 34.57 H new ATOM 0 HZ1 LYS A 34 55.145 34.567 42.006 1.00 38.44 H new ATOM 0 HZ2 LYS A 34 55.935 35.227 40.981 1.00 38.44 H new ATOM 0 HZ3 LYS A 34 56.010 33.785 41.140 1.00 38.44 H new ATOM 241 N ASP A 35 63.342 34.156 40.522 1.00 27.01 N ATOM 242 CA ASP A 35 64.601 33.922 39.816 1.00 29.92 C ATOM 243 C ASP A 35 64.409 33.170 38.508 1.00 31.96 C ATOM 244 O ASP A 35 63.301 32.752 38.174 1.00 30.87 O ATOM 245 CB ASP A 35 65.591 33.155 40.700 1.00 33.13 C ATOM 246 CG ASP A 35 65.021 31.851 41.232 1.00 34.55 C ATOM 247 OD1 ASP A 35 64.375 31.112 40.458 1.00 35.51 O ATOM 248 OD2 ASP A 35 65.232 31.559 42.427 1.00 36.30 O ATOM 0 H ASP A 35 63.218 33.656 41.210 1.00 27.01 H new ATOM 0 HA ASP A 35 64.960 34.799 39.607 1.00 29.92 H new ATOM 0 HB2 ASP A 35 66.395 32.967 40.190 1.00 33.13 H new ATOM 0 HB3 ASP A 35 65.853 33.716 41.446 1.00 33.13 H new ATOM 249 N ALA A 36 65.507 32.995 37.778 1.00 35.21 N ATOM 250 CA ALA A 36 65.490 32.310 36.490 1.00 38.55 C ATOM 251 C ALA A 36 65.007 30.862 36.569 1.00 39.66 C ATOM 252 O ALA A 36 64.961 30.164 35.558 1.00 41.27 O ATOM 253 CB ALA A 36 66.881 32.361 35.866 1.00 38.37 C ATOM 0 H ALA A 36 66.285 33.271 38.017 1.00 35.21 H new ATOM 0 HA ALA A 36 64.848 32.780 35.935 1.00 38.55 H new ATOM 0 HB1 ALA A 36 66.869 31.905 35.010 1.00 38.37 H new ATOM 0 HB2 ALA A 36 67.144 33.286 35.736 1.00 38.37 H new ATOM 0 HB3 ALA A 36 67.516 31.925 36.455 1.00 38.37 H new ATOM 254 N ASN A 37 64.651 30.413 37.768 1.00 41.15 N ATOM 255 CA ASN A 37 64.171 29.046 37.959 1.00 42.16 C ATOM 256 C ASN A 37 62.724 29.043 38.437 1.00 41.16 C ATOM 257 O ASN A 37 62.138 27.986 38.668 1.00 41.63 O ATOM 258 CB ASN A 37 65.057 28.314 38.970 1.00 44.46 C ATOM 259 CG ASN A 37 66.467 28.082 38.451 1.00 47.10 C ATOM 260 OD1 ASN A 37 66.636 28.174 37.136 1.00 47.96 O flip ATOM 261 ND2 ASN A 37 67.390 27.816 39.222 1.00 48.38 N flip ATOM 0 H ASN A 37 64.680 30.885 38.487 1.00 41.15 H new ATOM 0 HA ASN A 37 64.214 28.586 37.106 1.00 42.16 H new ATOM 0 HB2 ASN A 37 65.099 28.829 39.791 1.00 44.46 H new ATOM 0 HB3 ASN A 37 64.653 27.460 39.191 1.00 44.46 H new ATOM 0 HD21 ASN A 37 67.243 27.765 40.068 1.00 48.38 H new ATOM 0 HD22 ASN A 37 68.182 27.681 38.915 1.00 48.38 H new ATOM 262 N GLY A 38 62.155 30.236 38.581 1.00 39.52 N ATOM 263 CA GLY A 38 60.778 30.354 39.025 1.00 37.37 C ATOM 264 C GLY A 38 60.620 30.312 40.534 1.00 36.57 C ATOM 265 O GLY A 38 59.506 30.187 41.046 1.00 36.68 O ATOM 0 H GLY A 38 62.550 30.984 38.427 1.00 39.52 H new ATOM 0 HA2 GLY A 38 60.409 31.187 38.692 1.00 37.37 H new ATOM 0 HA3 GLY A 38 60.257 29.636 38.633 1.00 37.37 H new ATOM 266 N ASN A 39 61.735 30.416 41.250 1.00 34.65 N ATOM 267 CA ASN A 39 61.711 30.387 42.708 1.00 33.56 C ATOM 268 C ASN A 39 61.674 31.793 43.298 1.00 31.37 C ATOM 269 O ASN A 39 62.427 32.673 42.882 1.00 30.40 O ATOM 270 CB ASN A 39 62.937 29.638 43.237 1.00 35.83 C ATOM 271 CG ASN A 39 62.961 28.186 42.803 1.00 38.74 C ATOM 272 OD1 ASN A 39 62.066 27.411 43.142 1.00 40.45 O ATOM 273 ND2 ASN A 39 63.986 27.810 42.045 1.00 40.44 N ATOM 0 H ASN A 39 62.519 30.505 40.908 1.00 34.65 H new ATOM 0 HA ASN A 39 60.902 29.926 42.981 1.00 33.56 H new ATOM 0 HB2 ASN A 39 63.742 30.079 42.924 1.00 35.83 H new ATOM 0 HB3 ASN A 39 62.947 29.683 44.206 1.00 35.83 H new ATOM 0 HD21 ASN A 39 64.043 26.997 41.771 1.00 40.44 H new ATOM 0 HD22 ASN A 39 64.592 28.380 41.828 1.00 40.44 H new ATOM 274 N LYS A 40 60.790 31.991 44.270 1.00 29.51 N ATOM 275 CA LYS A 40 60.636 33.278 44.934 1.00 26.83 C ATOM 276 C LYS A 40 61.873 33.594 45.771 1.00 24.33 C ATOM 277 O LYS A 40 62.433 32.712 46.427 1.00 21.31 O ATOM 278 CB LYS A 40 59.405 33.251 45.843 1.00 30.65 C ATOM 279 CG LYS A 40 58.118 32.830 45.138 1.00 34.79 C ATOM 280 CD LYS A 40 57.019 32.472 46.135 1.00 37.90 C ATOM 281 CE LYS A 40 56.573 33.669 46.964 1.00 38.98 C ATOM 282 NZ LYS A 40 55.909 34.710 46.127 1.00 43.10 N ATOM 0 H LYS A 40 60.261 31.380 44.563 1.00 29.51 H new ATOM 0 HA LYS A 40 60.526 33.963 44.257 1.00 26.83 H new ATOM 0 HB2 LYS A 40 59.572 32.643 46.580 1.00 30.65 H new ATOM 0 HB3 LYS A 40 59.279 34.133 46.226 1.00 30.65 H new ATOM 0 HG2 LYS A 40 57.813 33.550 44.564 1.00 34.79 H new ATOM 0 HG3 LYS A 40 58.297 32.068 44.566 1.00 34.79 H new ATOM 0 HD2 LYS A 40 56.256 32.112 45.656 1.00 37.90 H new ATOM 0 HD3 LYS A 40 57.338 31.773 46.727 1.00 37.90 H new ATOM 0 HE2 LYS A 40 55.961 33.373 47.656 1.00 38.98 H new ATOM 0 HE3 LYS A 40 57.342 34.056 47.411 1.00 38.98 H new ATOM 0 HZ1 LYS A 40 55.547 35.329 46.654 1.00 43.10 H new ATOM 0 HZ2 LYS A 40 56.511 35.090 45.593 1.00 43.10 H new ATOM 0 HZ3 LYS A 40 55.272 34.332 45.633 1.00 43.10 H new ATOM 283 N GLN A 41 62.294 34.854 45.739 1.00 19.42 N ATOM 284 CA GLN A 41 63.453 35.307 46.501 1.00 18.55 C ATOM 285 C GLN A 41 63.157 36.702 47.030 1.00 15.58 C ATOM 286 O GLN A 41 62.271 37.381 46.518 1.00 10.24 O ATOM 287 CB GLN A 41 64.692 35.406 45.607 1.00 20.26 C ATOM 288 CG GLN A 41 65.097 34.130 44.875 1.00 24.70 C ATOM 289 CD GLN A 41 65.624 33.065 45.805 1.00 27.39 C ATOM 290 OE1 GLN A 41 66.467 33.334 46.663 1.00 30.12 O ATOM 291 NE2 GLN A 41 65.138 31.841 45.637 1.00 30.13 N ATOM 0 H GLN A 41 61.916 35.471 45.275 1.00 19.42 H new ATOM 0 HA GLN A 41 63.622 34.674 47.216 1.00 18.55 H new ATOM 0 HB2 GLN A 41 64.538 36.100 44.947 1.00 20.26 H new ATOM 0 HB3 GLN A 41 65.440 35.695 46.153 1.00 20.26 H new ATOM 0 HG2 GLN A 41 64.331 33.782 44.392 1.00 24.70 H new ATOM 0 HG3 GLN A 41 65.776 34.342 44.215 1.00 24.70 H new ATOM 0 HE21 GLN A 41 64.550 31.692 45.027 1.00 30.13 H new ATOM 0 HE22 GLN A 41 65.411 31.197 46.138 1.00 30.13 H new ATOM 292 N GLN A 42 63.899 37.124 48.051 1.00 13.29 N ATOM 293 CA GLN A 42 63.736 38.470 48.592 1.00 12.56 C ATOM 294 C GLN A 42 65.091 39.161 48.719 1.00 11.76 C ATOM 295 O GLN A 42 66.075 38.561 49.168 1.00 10.22 O ATOM 296 CB GLN A 42 63.052 38.442 49.961 1.00 13.58 C ATOM 297 CG GLN A 42 61.571 38.133 49.914 1.00 16.25 C ATOM 298 CD GLN A 42 60.931 38.213 51.283 1.00 18.75 C ATOM 299 OE1 GLN A 42 60.979 39.252 51.940 1.00 18.92 O ATOM 300 NE2 GLN A 42 60.332 37.113 51.723 1.00 19.56 N ATOM 0 H GLN A 42 64.499 36.649 48.443 1.00 13.29 H new ATOM 0 HA GLN A 42 63.175 38.965 47.975 1.00 12.56 H new ATOM 0 HB2 GLN A 42 63.492 37.780 50.517 1.00 13.58 H new ATOM 0 HB3 GLN A 42 63.178 39.302 50.391 1.00 13.58 H new ATOM 0 HG2 GLN A 42 61.130 38.756 49.315 1.00 16.25 H new ATOM 0 HG3 GLN A 42 61.438 37.245 49.547 1.00 16.25 H new ATOM 0 HE21 GLN A 42 60.319 36.405 51.234 1.00 19.56 H new ATOM 0 HE22 GLN A 42 59.957 37.108 52.497 1.00 19.56 H new ATOM 301 N ILE A 43 65.133 40.423 48.306 1.00 10.49 N ATOM 302 CA ILE A 43 66.341 41.224 48.385 1.00 8.34 C ATOM 303 C ILE A 43 65.955 42.610 48.892 1.00 7.86 C ATOM 304 O ILE A 43 64.880 43.126 48.569 1.00 6.28 O ATOM 305 CB ILE A 43 67.040 41.324 46.995 1.00 9.20 C ATOM 306 CG1 ILE A 43 68.392 42.027 47.131 1.00 10.52 C ATOM 307 CG2 ILE A 43 66.158 42.073 46.015 1.00 12.29 C ATOM 308 CD1 ILE A 43 69.259 41.909 45.878 1.00 10.84 C ATOM 0 H ILE A 43 64.458 40.837 47.971 1.00 10.49 H new ATOM 0 HA ILE A 43 66.972 40.807 48.993 1.00 8.34 H new ATOM 0 HB ILE A 43 67.188 40.427 46.658 1.00 9.20 H new ATOM 0 HG12 ILE A 43 68.244 42.965 47.328 1.00 10.52 H new ATOM 0 HG13 ILE A 43 68.871 41.651 47.886 1.00 10.52 H new ATOM 0 HG21 ILE A 43 66.604 42.128 45.155 1.00 12.29 H new ATOM 0 HG22 ILE A 43 65.316 41.603 45.913 1.00 12.29 H new ATOM 0 HG23 ILE A 43 65.990 42.968 46.349 1.00 12.29 H new ATOM 0 HD11 ILE A 43 70.100 42.371 46.021 1.00 10.84 H new ATOM 0 HD12 ILE A 43 69.433 40.973 45.691 1.00 10.84 H new ATOM 0 HD13 ILE A 43 68.796 42.308 45.125 1.00 10.84 H new ATOM 309 N ASN A 44 66.824 43.200 49.704 1.00 7.03 N ATOM 310 CA ASN A 44 66.576 44.526 50.269 1.00 7.75 C ATOM 311 C ASN A 44 66.609 45.574 49.160 1.00 7.19 C ATOM 312 O ASN A 44 67.532 45.582 48.355 1.00 7.81 O ATOM 313 CB ASN A 44 67.654 44.851 51.310 1.00 9.88 C ATOM 314 CG ASN A 44 67.280 46.021 52.199 1.00 8.53 C ATOM 315 OD1 ASN A 44 66.888 47.086 51.719 1.00 7.08 O ATOM 316 ND2 ASN A 44 67.406 45.830 53.506 1.00 7.46 N ATOM 0 H ASN A 44 67.571 42.847 49.944 1.00 7.03 H new ATOM 0 HA ASN A 44 65.703 44.534 50.693 1.00 7.75 H new ATOM 0 HB2 ASN A 44 67.811 44.069 51.861 1.00 9.88 H new ATOM 0 HB3 ASN A 44 68.487 45.049 50.855 1.00 9.88 H new ATOM 0 HD21 ASN A 44 67.211 46.463 54.054 1.00 7.46 H new ATOM 0 HD22 ASN A 44 67.683 45.073 53.805 1.00 7.46 H new ATOM 317 N ARG A 45 65.609 46.450 49.113 1.00 6.31 N ATOM 318 CA ARG A 45 65.571 47.488 48.088 1.00 6.20 C ATOM 319 C ARG A 45 66.858 48.315 48.122 1.00 6.02 C ATOM 320 O ARG A 45 67.338 48.780 47.094 1.00 5.22 O ATOM 321 CB ARG A 45 64.365 48.419 48.290 1.00 6.80 C ATOM 322 CG ARG A 45 64.239 49.470 47.179 1.00 6.35 C ATOM 323 CD ARG A 45 63.097 50.463 47.422 1.00 9.90 C ATOM 324 NE ARG A 45 61.799 49.805 47.541 1.00 11.23 N ATOM 325 CZ ARG A 45 61.206 49.518 48.695 1.00 12.30 C ATOM 326 NH1 ARG A 45 61.787 49.834 49.844 1.00 9.72 N ATOM 327 NH2 ARG A 45 60.027 48.914 48.697 1.00 11.96 N ATOM 0 H ARG A 45 64.947 46.461 49.662 1.00 6.31 H new ATOM 0 HA ARG A 45 65.488 47.050 47.226 1.00 6.20 H new ATOM 0 HB2 ARG A 45 63.553 47.889 48.323 1.00 6.80 H new ATOM 0 HB3 ARG A 45 64.446 48.867 49.147 1.00 6.80 H new ATOM 0 HG2 ARG A 45 65.075 49.957 47.105 1.00 6.35 H new ATOM 0 HG3 ARG A 45 64.096 49.022 46.331 1.00 6.35 H new ATOM 0 HD2 ARG A 45 63.277 50.966 48.232 1.00 9.90 H new ATOM 0 HD3 ARG A 45 63.067 51.101 46.692 1.00 9.90 H new ATOM 0 HE ARG A 45 61.391 49.589 46.816 1.00 11.23 H new ATOM 0 HH11 ARG A 45 62.552 50.227 49.845 1.00 9.72 H new ATOM 0 HH12 ARG A 45 61.399 49.646 50.588 1.00 9.72 H new ATOM 0 HH21 ARG A 45 59.648 48.709 47.953 1.00 11.96 H new ATOM 0 HH22 ARG A 45 59.641 48.727 49.442 1.00 11.96 H new ATOM 328 N THR A 46 67.433 48.473 49.306 1.00 6.33 N ATOM 329 CA THR A 46 68.667 49.252 49.441 1.00 9.23 C ATOM 330 C THR A 46 69.804 48.680 48.605 1.00 9.53 C ATOM 331 O THR A 46 70.695 49.411 48.173 1.00 9.82 O ATOM 332 CB THR A 46 69.118 49.309 50.909 1.00 8.43 C ATOM 333 OG1 THR A 46 68.105 49.958 51.685 1.00 10.10 O ATOM 334 CG2 THR A 46 70.432 50.080 51.050 1.00 11.64 C ATOM 0 H THR A 46 67.132 48.143 50.041 1.00 6.33 H new ATOM 0 HA THR A 46 68.464 50.144 49.119 1.00 9.23 H new ATOM 0 HB THR A 46 69.258 48.403 51.225 1.00 8.43 H new ATOM 0 HG1 THR A 46 67.517 49.399 51.903 1.00 10.10 H new ATOM 0 HG21 THR A 46 70.696 50.102 51.983 1.00 11.64 H new ATOM 0 HG22 THR A 46 71.123 49.641 50.530 1.00 11.64 H new ATOM 0 HG23 THR A 46 70.312 50.987 50.727 1.00 11.64 H new ATOM 335 N ASP A 47 69.768 47.371 48.372 1.00 9.54 N ATOM 336 CA ASP A 47 70.815 46.715 47.593 1.00 12.02 C ATOM 337 C ASP A 47 70.522 46.689 46.091 1.00 12.95 C ATOM 338 O ASP A 47 71.294 46.124 45.312 1.00 13.12 O ATOM 339 CB ASP A 47 71.027 45.290 48.121 1.00 14.58 C ATOM 340 CG ASP A 47 72.280 44.633 47.563 1.00 18.63 C ATOM 341 OD1 ASP A 47 73.278 45.351 47.342 1.00 19.18 O ATOM 342 OD2 ASP A 47 72.271 43.395 47.363 1.00 20.11 O ATOM 0 H ASP A 47 69.148 46.846 48.655 1.00 9.54 H new ATOM 0 HA ASP A 47 71.625 47.237 47.702 1.00 12.02 H new ATOM 0 HB2 ASP A 47 71.083 45.314 49.089 1.00 14.58 H new ATOM 0 HB3 ASP A 47 70.255 44.748 47.895 1.00 14.58 H new ATOM 343 N VAL A 48 69.411 47.302 45.686 1.00 11.71 N ATOM 344 CA VAL A 48 69.035 47.340 44.275 1.00 11.03 C ATOM 345 C VAL A 48 69.195 48.748 43.709 1.00 13.36 C ATOM 346 O VAL A 48 68.391 49.637 43.989 1.00 12.74 O ATOM 347 CB VAL A 48 67.568 46.893 44.064 1.00 11.02 C ATOM 348 CG1 VAL A 48 67.260 46.814 42.571 1.00 11.93 C ATOM 349 CG2 VAL A 48 67.335 45.537 44.735 1.00 11.70 C ATOM 0 H VAL A 48 68.862 47.702 46.213 1.00 11.71 H new ATOM 0 HA VAL A 48 69.626 46.726 43.812 1.00 11.03 H new ATOM 0 HB VAL A 48 66.973 47.543 44.468 1.00 11.02 H new ATOM 0 HG11 VAL A 48 66.340 46.534 42.445 1.00 11.93 H new ATOM 0 HG12 VAL A 48 67.390 47.686 42.167 1.00 11.93 H new ATOM 0 HG13 VAL A 48 67.854 46.172 42.151 1.00 11.93 H new ATOM 0 HG21 VAL A 48 66.415 45.263 44.599 1.00 11.70 H new ATOM 0 HG22 VAL A 48 67.930 44.877 44.346 1.00 11.70 H new ATOM 0 HG23 VAL A 48 67.513 45.611 45.686 1.00 11.70 H new ATOM 350 N LYS A 49 70.232 48.950 42.905 1.00 12.06 N ATOM 351 CA LYS A 49 70.468 50.260 42.318 1.00 11.21 C ATOM 352 C LYS A 49 69.463 50.579 41.222 1.00 11.40 C ATOM 353 O LYS A 49 68.941 51.690 41.157 1.00 10.87 O ATOM 354 CB LYS A 49 71.885 50.342 41.745 1.00 14.25 C ATOM 355 CG LYS A 49 72.169 51.653 41.029 1.00 16.66 C ATOM 356 CD LYS A 49 73.462 51.584 40.237 1.00 22.70 C ATOM 357 CE LYS A 49 74.677 51.645 41.143 1.00 25.02 C ATOM 358 NZ LYS A 49 74.824 52.991 41.756 1.00 28.56 N ATOM 0 H LYS A 49 70.806 48.347 42.689 1.00 12.06 H new ATOM 0 HA LYS A 49 70.363 50.913 43.027 1.00 11.21 H new ATOM 0 HB2 LYS A 49 72.525 50.228 42.465 1.00 14.25 H new ATOM 0 HB3 LYS A 49 72.020 49.607 41.127 1.00 14.25 H new ATOM 0 HG2 LYS A 49 71.434 51.863 40.433 1.00 16.66 H new ATOM 0 HG3 LYS A 49 72.223 52.372 41.677 1.00 16.66 H new ATOM 0 HD2 LYS A 49 73.483 50.763 39.722 1.00 22.70 H new ATOM 0 HD3 LYS A 49 73.493 52.317 39.603 1.00 22.70 H new ATOM 0 HE2 LYS A 49 74.597 50.976 41.841 1.00 25.02 H new ATOM 0 HE3 LYS A 49 75.474 51.430 40.634 1.00 25.02 H new ATOM 0 HZ1 LYS A 49 75.650 53.084 42.074 1.00 28.56 H new ATOM 0 HZ2 LYS A 49 74.671 53.616 41.141 1.00 28.56 H new ATOM 0 HZ3 LYS A 49 74.239 53.080 42.421 1.00 28.56 H new ATOM 359 N GLU A 50 69.208 49.612 40.351 1.00 10.51 N ATOM 360 CA GLU A 50 68.270 49.815 39.256 1.00 13.21 C ATOM 361 C GLU A 50 67.767 48.509 38.655 1.00 13.44 C ATOM 362 O GLU A 50 68.280 47.428 38.942 1.00 13.08 O ATOM 363 CB GLU A 50 68.917 50.654 38.145 1.00 14.98 C ATOM 364 CG GLU A 50 70.334 50.226 37.786 1.00 16.76 C ATOM 365 CD GLU A 50 70.888 50.957 36.571 1.00 20.23 C ATOM 366 OE1 GLU A 50 70.537 52.139 36.364 1.00 20.35 O ATOM 367 OE2 GLU A 50 71.690 50.348 35.829 1.00 20.15 O ATOM 0 H GLU A 50 69.567 48.831 40.376 1.00 10.51 H new ATOM 0 HA GLU A 50 67.509 50.281 39.635 1.00 13.21 H new ATOM 0 HB2 GLU A 50 68.363 50.603 37.350 1.00 14.98 H new ATOM 0 HB3 GLU A 50 68.931 51.584 38.422 1.00 14.98 H new ATOM 0 HG2 GLU A 50 70.916 50.384 38.545 1.00 16.76 H new ATOM 0 HG3 GLU A 50 70.344 49.271 37.615 1.00 16.76 H new HETATM 368 N MSE A 51 66.746 48.627 37.819 1.00 12.99 N HETATM 369 CA MSE A 51 66.174 47.479 37.144 1.00 16.24 C HETATM 370 C MSE A 51 66.015 47.858 35.679 1.00 16.80 C HETATM 371 O MSE A 51 65.322 48.821 35.355 1.00 13.51 O HETATM 372 CB MSE A 51 64.818 47.126 37.748 1.00 19.36 C HETATM 373 CG MSE A 51 64.893 46.622 39.178 1.00 25.27 C HETATM 374 SE MSE A 51 63.158 46.034 39.796 1.00 36.45 SE HETATM 375 CE MSE A 51 63.309 46.502 41.662 1.00 30.68 C HETATM 0 H MSE A 51 66.367 49.375 37.628 1.00 12.99 H new HETATM 0 HA MSE A 51 66.748 46.703 37.241 1.00 16.24 H new HETATM 0 HB2 MSE A 51 64.248 47.910 37.720 1.00 19.36 H new HETATM 0 HB3 MSE A 51 64.395 46.448 37.197 1.00 19.36 H new HETATM 0 HG2 MSE A 51 65.526 45.889 39.233 1.00 25.27 H new HETATM 0 HG3 MSE A 51 65.224 47.327 39.756 1.00 25.27 H new HETATM 0 HE1 MSE A 51 62.490 46.261 42.123 1.00 30.68 H new HETATM 0 HE2 MSE A 51 64.055 46.023 42.057 1.00 30.68 H new HETATM 0 HE3 MSE A 51 63.458 47.457 41.745 1.00 30.68 H new ATOM 376 N VAL A 52 66.682 47.113 34.804 1.00 16.33 N ATOM 377 CA VAL A 52 66.615 47.370 33.372 1.00 19.92 C ATOM 378 C VAL A 52 65.597 46.438 32.724 1.00 19.91 C ATOM 379 O VAL A 52 65.646 45.225 32.912 1.00 20.35 O ATOM 380 CB VAL A 52 67.991 47.159 32.704 1.00 20.72 C ATOM 381 CG1 VAL A 52 67.878 47.370 31.195 1.00 20.88 C ATOM 382 CG2 VAL A 52 69.019 48.119 33.310 1.00 21.92 C ATOM 0 H VAL A 52 67.183 46.449 35.022 1.00 16.33 H new ATOM 0 HA VAL A 52 66.346 48.293 33.247 1.00 19.92 H new ATOM 0 HB VAL A 52 68.287 46.250 32.865 1.00 20.72 H new ATOM 0 HG11 VAL A 52 68.746 47.236 30.783 1.00 20.88 H new ATOM 0 HG12 VAL A 52 67.244 46.735 30.826 1.00 20.88 H new ATOM 0 HG13 VAL A 52 67.572 48.273 31.016 1.00 20.88 H new ATOM 0 HG21 VAL A 52 69.880 47.981 32.886 1.00 21.92 H new ATOM 0 HG22 VAL A 52 68.731 49.034 33.166 1.00 21.92 H new ATOM 0 HG23 VAL A 52 69.097 47.951 34.262 1.00 21.92 H new ATOM 383 N ALA A 53 64.674 47.011 31.961 1.00 21.73 N ATOM 384 CA ALA A 53 63.645 46.220 31.298 1.00 23.28 C ATOM 385 C ALA A 53 64.204 45.375 30.158 1.00 24.20 C ATOM 386 O ALA A 53 65.014 45.844 29.354 1.00 24.15 O ATOM 387 CB ALA A 53 62.545 47.131 30.769 1.00 24.23 C ATOM 0 H ALA A 53 64.626 47.857 31.814 1.00 21.73 H new ATOM 0 HA ALA A 53 63.282 45.612 31.961 1.00 23.28 H new ATOM 0 HB1 ALA A 53 61.865 46.596 30.330 1.00 24.23 H new ATOM 0 HB2 ALA A 53 62.146 47.619 31.506 1.00 24.23 H new ATOM 0 HB3 ALA A 53 62.922 47.759 30.133 1.00 24.23 H new ATOM 388 N LEU A 54 63.772 44.120 30.108 1.00 24.37 N ATOM 389 CA LEU A 54 64.189 43.196 29.060 1.00 25.83 C ATOM 390 C LEU A 54 63.033 43.075 28.079 1.00 26.32 C ATOM 391 O LEU A 54 61.884 42.885 28.484 1.00 25.31 O ATOM 392 CB LEU A 54 64.516 41.820 29.647 1.00 26.37 C ATOM 393 CG LEU A 54 65.869 41.666 30.341 1.00 26.80 C ATOM 394 CD1 LEU A 54 65.965 40.293 30.995 1.00 28.25 C ATOM 395 CD2 LEU A 54 66.984 41.848 29.318 1.00 28.82 C ATOM 0 H LEU A 54 63.228 43.780 30.681 1.00 24.37 H new ATOM 0 HA LEU A 54 64.988 43.527 28.621 1.00 25.83 H new ATOM 0 HB2 LEU A 54 63.822 41.592 30.285 1.00 26.37 H new ATOM 0 HB3 LEU A 54 64.468 41.168 28.931 1.00 26.37 H new ATOM 0 HG LEU A 54 65.959 42.341 31.031 1.00 26.80 H new ATOM 0 HD11 LEU A 54 66.826 40.203 31.433 1.00 28.25 H new ATOM 0 HD12 LEU A 54 65.257 40.197 31.651 1.00 28.25 H new ATOM 0 HD13 LEU A 54 65.874 39.605 30.318 1.00 28.25 H new ATOM 0 HD21 LEU A 54 67.844 41.751 29.756 1.00 28.82 H new ATOM 0 HD22 LEU A 54 66.898 41.177 28.623 1.00 28.82 H new ATOM 0 HD23 LEU A 54 66.921 42.732 28.924 1.00 28.82 H new ATOM 396 N GLU A 55 63.331 43.193 26.791 1.00 25.52 N ATOM 397 CA GLU A 55 62.292 43.101 25.777 1.00 26.85 C ATOM 398 C GLU A 55 61.699 41.697 25.742 1.00 28.46 C ATOM 399 O GLU A 55 62.412 40.710 25.918 1.00 27.11 O ATOM 400 CB GLU A 55 62.860 43.438 24.401 1.00 27.08 C ATOM 401 CG GLU A 55 61.796 43.623 23.335 1.00 26.41 C ATOM 402 CD GLU A 55 62.373 43.619 21.936 1.00 27.40 C ATOM 403 OE1 GLU A 55 63.460 44.148 21.700 1.00 24.84 O ATOM 404 OE2 GLU A 55 61.645 43.028 20.997 1.00 24.60 O ATOM 0 H GLU A 55 64.124 43.326 26.485 1.00 25.52 H new ATOM 0 HA GLU A 55 61.596 43.737 26.004 1.00 26.85 H new ATOM 0 HB2 GLU A 55 63.387 44.250 24.466 1.00 27.08 H new ATOM 0 HB3 GLU A 55 63.463 42.730 24.126 1.00 27.08 H new ATOM 0 HG2 GLU A 55 61.138 42.915 23.413 1.00 26.41 H new ATOM 0 HG3 GLU A 55 61.331 44.460 23.488 1.00 26.41 H new ATOM 405 N ASN A 56 60.391 41.620 25.515 1.00 31.77 N ATOM 406 CA ASN A 56 59.696 40.340 25.436 1.00 35.35 C ATOM 407 C ASN A 56 60.020 39.672 24.104 1.00 35.68 C ATOM 408 O ASN A 56 59.481 40.050 23.065 1.00 36.36 O ATOM 409 CB ASN A 56 58.183 40.552 25.548 1.00 37.38 C ATOM 410 CG ASN A 56 57.394 39.288 25.265 1.00 40.57 C ATOM 411 OD1 ASN A 56 57.608 38.254 25.899 1.00 40.90 O ATOM 412 ND2 ASN A 56 56.475 39.365 24.306 1.00 42.03 N ATOM 0 H ASN A 56 59.884 42.305 25.403 1.00 31.77 H new ATOM 0 HA ASN A 56 59.989 39.774 26.167 1.00 35.35 H new ATOM 0 HB2 ASN A 56 57.970 40.870 26.439 1.00 37.38 H new ATOM 0 HB3 ASN A 56 57.910 41.245 24.927 1.00 37.38 H new ATOM 0 HD21 ASN A 56 56.002 38.675 24.107 1.00 42.03 H new ATOM 0 HD22 ASN A 56 56.354 40.105 23.885 1.00 42.03 H new ATOM 413 N LEU A 57 60.907 38.683 24.138 1.00 36.53 N ATOM 414 CA LEU A 57 61.305 37.970 22.930 1.00 38.49 C ATOM 415 C LEU A 57 60.565 36.638 22.806 1.00 40.98 C ATOM 416 O LEU A 57 60.767 35.891 21.846 1.00 41.88 O ATOM 417 CB LEU A 57 62.815 37.719 22.944 1.00 37.43 C ATOM 418 CG LEU A 57 63.731 38.936 23.115 1.00 37.08 C ATOM 419 CD1 LEU A 57 65.179 38.477 23.185 1.00 36.22 C ATOM 420 CD2 LEU A 57 63.533 39.906 21.961 1.00 35.50 C ATOM 0 H LEU A 57 61.292 38.408 24.856 1.00 36.53 H new ATOM 0 HA LEU A 57 61.073 38.521 22.166 1.00 38.49 H new ATOM 0 HB2 LEU A 57 63.008 37.095 23.661 1.00 37.43 H new ATOM 0 HB3 LEU A 57 63.053 37.279 22.113 1.00 37.43 H new ATOM 0 HG LEU A 57 63.506 39.394 23.940 1.00 37.08 H new ATOM 0 HD11 LEU A 57 65.758 39.248 23.293 1.00 36.22 H new ATOM 0 HD12 LEU A 57 65.293 37.879 23.940 1.00 36.22 H new ATOM 0 HD13 LEU A 57 65.411 38.011 22.366 1.00 36.22 H new ATOM 0 HD21 LEU A 57 64.116 40.672 22.078 1.00 35.50 H new ATOM 0 HD22 LEU A 57 63.746 39.463 21.125 1.00 35.50 H new ATOM 0 HD23 LEU A 57 62.610 40.203 21.943 1.00 35.50 H new ATOM 421 N GLU A 58 59.705 36.354 23.779 1.00 42.70 N ATOM 422 CA GLU A 58 58.931 35.113 23.809 1.00 44.91 C ATOM 423 C GLU A 58 59.813 33.868 23.820 1.00 44.93 C ATOM 424 O GLU A 58 61.052 34.011 23.748 1.00 45.34 O ATOM 425 CB GLU A 58 57.971 35.039 22.616 1.00 45.88 C ATOM 426 CG GLU A 58 56.780 35.981 22.697 1.00 47.25 C ATOM 427 CD GLU A 58 57.019 37.305 21.999 1.00 49.39 C ATOM 428 OE1 GLU A 58 57.986 38.009 22.360 1.00 49.79 O ATOM 429 OE2 GLU A 58 56.234 37.643 21.086 1.00 51.02 O ATOM 0 H GLU A 58 59.552 36.877 24.444 1.00 42.70 H new ATOM 0 HA GLU A 58 58.427 35.130 24.638 1.00 44.91 H new ATOM 0 HB2 GLU A 58 58.467 35.234 21.805 1.00 45.88 H new ATOM 0 HB3 GLU A 58 57.643 34.130 22.537 1.00 45.88 H new ATOM 0 HG2 GLU A 58 56.006 35.549 22.303 1.00 47.25 H new ATOM 0 HG3 GLU A 58 56.569 36.147 23.629 1.00 47.25 H new TER 430 GLU A 58 HETATM 431 N MSE B 1 55.629 85.284 43.130 1.00 48.86 N HETATM 432 CA MSE B 1 56.664 85.443 44.191 1.00 50.32 C HETATM 433 C MSE B 1 56.062 85.282 45.587 1.00 49.67 C HETATM 434 O MSE B 1 56.772 85.002 46.554 1.00 50.07 O HETATM 435 CB MSE B 1 57.336 86.819 44.054 1.00 52.51 C HETATM 436 CG MSE B 1 56.379 88.011 44.039 1.00 56.31 C HETATM 437 SE MSE B 1 55.857 88.632 45.797 1.00 68.29 SE HETATM 438 CE MSE B 1 57.232 89.976 46.056 1.00 61.62 C HETATM 0 H1 MSE B 1 56.003 85.397 42.330 1.00 48.86 H new HETATM 0 H2 MSE B 1 55.276 84.469 43.179 1.00 48.86 H new HETATM 0 H3 MSE B 1 54.989 85.892 43.246 1.00 48.86 H new HETATM 0 HA MSE B 1 57.329 84.746 44.076 1.00 50.32 H new HETATM 0 HB2 MSE B 1 57.960 86.933 44.788 1.00 52.51 H new HETATM 0 HB3 MSE B 1 57.856 86.829 43.235 1.00 52.51 H new HETATM 0 HG2 MSE B 1 56.798 88.743 43.560 1.00 56.31 H new HETATM 0 HG3 MSE B 1 55.582 87.767 43.543 1.00 56.31 H new HETATM 0 HE1 MSE B 1 57.112 90.399 46.920 1.00 61.62 H new HETATM 0 HE2 MSE B 1 58.106 89.556 46.020 1.00 61.62 H new HETATM 0 HE3 MSE B 1 57.166 90.645 45.357 1.00 61.62 H new ATOM 439 N SER B 2 54.745 85.447 45.668 1.00 49.02 N ATOM 440 CA SER B 2 53.989 85.349 46.919 1.00 48.37 C ATOM 441 C SER B 2 54.590 84.519 48.060 1.00 47.48 C ATOM 442 O SER B 2 54.963 85.067 49.098 1.00 48.26 O ATOM 443 CB SER B 2 52.575 84.838 46.619 1.00 48.02 C ATOM 444 OG SER B 2 52.614 83.582 45.961 1.00 50.64 O ATOM 0 H SER B 2 54.254 85.623 44.984 1.00 49.02 H new ATOM 0 HA SER B 2 54.005 86.256 47.262 1.00 48.37 H new ATOM 0 HB2 SER B 2 52.075 84.758 47.446 1.00 48.02 H new ATOM 0 HB3 SER B 2 52.106 85.482 46.065 1.00 48.02 H new ATOM 0 HG SER B 2 52.457 82.970 46.515 1.00 50.64 H new ATOM 445 N GLY B 3 54.671 83.205 47.867 1.00 45.99 N ATOM 446 CA GLY B 3 55.197 82.315 48.892 1.00 43.58 C ATOM 447 C GLY B 3 56.376 82.784 49.733 1.00 42.11 C ATOM 448 O GLY B 3 57.291 83.429 49.218 1.00 43.56 O ATOM 0 H GLY B 3 54.425 82.809 47.144 1.00 45.99 H new ATOM 0 HA2 GLY B 3 54.470 82.102 49.498 1.00 43.58 H new ATOM 0 HA3 GLY B 3 55.456 81.487 48.458 1.00 43.58 H new ATOM 449 N PRO B 4 56.377 82.475 51.045 1.00 39.83 N ATOM 450 CA PRO B 4 57.454 82.857 51.968 1.00 36.84 C ATOM 451 C PRO B 4 58.725 82.099 51.589 1.00 33.17 C ATOM 452 O PRO B 4 58.663 80.923 51.238 1.00 33.47 O ATOM 453 CB PRO B 4 56.915 82.423 53.331 1.00 37.30 C ATOM 454 CG PRO B 4 55.426 82.491 53.152 1.00 39.86 C ATOM 455 CD PRO B 4 55.249 81.886 51.786 1.00 39.72 C ATOM 0 HA PRO B 4 57.684 83.799 51.954 1.00 36.84 H new ATOM 0 HB2 PRO B 4 57.207 81.527 53.563 1.00 37.30 H new ATOM 0 HB3 PRO B 4 57.218 83.012 54.040 1.00 37.30 H new ATOM 0 HG2 PRO B 4 54.955 81.989 53.835 1.00 39.86 H new ATOM 0 HG3 PRO B 4 55.097 83.403 53.191 1.00 39.86 H new ATOM 0 HD2 PRO B 4 55.295 80.917 51.809 1.00 39.72 H new ATOM 0 HD3 PRO B 4 54.394 82.120 51.393 1.00 39.72 H new ATOM 456 N ASN B 5 59.872 82.762 51.670 1.00 28.83 N ATOM 457 CA ASN B 5 61.131 82.128 51.303 1.00 25.12 C ATOM 458 C ASN B 5 61.789 81.317 52.411 1.00 22.37 C ATOM 459 O ASN B 5 61.657 81.634 53.595 1.00 20.33 O ATOM 460 CB ASN B 5 62.114 83.181 50.797 1.00 28.72 C ATOM 461 CG ASN B 5 61.633 83.864 49.530 1.00 29.76 C ATOM 462 OD1 ASN B 5 60.517 83.392 48.987 1.00 32.36 O flip ATOM 463 ND2 ASN B 5 62.260 84.802 49.046 1.00 30.55 N flip ATOM 0 H ASN B 5 59.943 83.577 51.934 1.00 28.83 H new ATOM 0 HA ASN B 5 60.904 81.492 50.607 1.00 25.12 H new ATOM 0 HB2 ASN B 5 62.253 83.848 51.488 1.00 28.72 H new ATOM 0 HB3 ASN B 5 62.973 82.763 50.629 1.00 28.72 H new ATOM 0 HD21 ASN B 5 62.979 85.080 49.426 1.00 30.55 H new ATOM 0 HD22 ASN B 5 61.980 85.181 48.327 1.00 30.55 H new ATOM 464 N TYR B 6 62.491 80.262 52.005 1.00 17.71 N ATOM 465 CA TYR B 6 63.212 79.388 52.924 1.00 14.34 C ATOM 466 C TYR B 6 64.627 79.200 52.412 1.00 13.51 C ATOM 467 O TYR B 6 64.911 79.431 51.235 1.00 14.04 O ATOM 468 CB TYR B 6 62.562 78.005 53.012 1.00 15.02 C ATOM 469 CG TYR B 6 61.271 77.969 53.782 1.00 15.37 C ATOM 470 CD1 TYR B 6 60.134 78.613 53.310 1.00 15.31 C ATOM 471 CD2 TYR B 6 61.190 77.295 54.995 1.00 17.68 C ATOM 472 CE1 TYR B 6 58.943 78.586 54.027 1.00 17.43 C ATOM 473 CE2 TYR B 6 60.007 77.263 55.724 1.00 18.47 C ATOM 474 CZ TYR B 6 58.888 77.909 55.234 1.00 19.03 C ATOM 475 OH TYR B 6 57.718 77.869 55.948 1.00 20.61 O ATOM 0 H TYR B 6 62.562 80.032 51.179 1.00 17.71 H new ATOM 0 HA TYR B 6 63.198 79.801 53.802 1.00 14.34 H new ATOM 0 HB2 TYR B 6 62.398 77.680 52.113 1.00 15.02 H new ATOM 0 HB3 TYR B 6 63.189 77.391 53.426 1.00 15.02 H new ATOM 0 HD1 TYR B 6 60.170 79.070 52.501 1.00 15.31 H new ATOM 0 HD2 TYR B 6 61.941 76.857 55.325 1.00 17.68 H new ATOM 0 HE1 TYR B 6 58.189 79.019 53.698 1.00 17.43 H new ATOM 0 HE2 TYR B 6 59.969 76.810 56.535 1.00 18.47 H new ATOM 0 HH TYR B 6 57.834 77.426 56.652 1.00 20.61 H new ATOM 476 N VAL B 7 65.516 78.788 53.306 1.00 11.35 N ATOM 477 CA VAL B 7 66.895 78.523 52.942 1.00 12.55 C ATOM 478 C VAL B 7 67.125 77.060 53.280 1.00 12.57 C ATOM 479 O VAL B 7 66.872 76.643 54.411 1.00 11.72 O ATOM 480 CB VAL B 7 67.887 79.373 53.760 1.00 12.43 C ATOM 481 CG1 VAL B 7 69.317 79.031 53.351 1.00 15.15 C ATOM 482 CG2 VAL B 7 67.606 80.851 53.545 1.00 17.00 C ATOM 0 H VAL B 7 65.336 78.655 54.136 1.00 11.35 H new ATOM 0 HA VAL B 7 67.040 78.736 52.007 1.00 12.55 H new ATOM 0 HB VAL B 7 67.778 79.175 54.703 1.00 12.43 H new ATOM 0 HG11 VAL B 7 69.939 79.567 53.867 1.00 15.15 H new ATOM 0 HG12 VAL B 7 69.486 78.091 53.519 1.00 15.15 H new ATOM 0 HG13 VAL B 7 69.437 79.217 52.407 1.00 15.15 H new ATOM 0 HG21 VAL B 7 68.234 81.379 54.063 1.00 17.00 H new ATOM 0 HG22 VAL B 7 67.703 81.065 52.604 1.00 17.00 H new ATOM 0 HG23 VAL B 7 66.701 81.054 53.831 1.00 17.00 H new HETATM 483 N MSE B 8 67.575 76.279 52.301 1.00 12.08 N HETATM 484 CA MSE B 8 67.849 74.862 52.533 1.00 14.32 C HETATM 485 C MSE B 8 69.357 74.646 52.575 1.00 14.73 C HETATM 486 O MSE B 8 70.071 75.083 51.674 1.00 17.10 O HETATM 487 CB MSE B 8 67.262 73.993 51.413 1.00 14.25 C HETATM 488 CG MSE B 8 65.751 74.037 51.290 1.00 19.33 C HETATM 489 SE MSE B 8 65.125 72.692 50.025 1.00 27.15 SE HETATM 490 CE MSE B 8 65.806 73.501 48.403 1.00 20.82 C HETATM 0 H MSE B 8 67.728 76.548 51.499 1.00 12.08 H new HETATM 0 HA MSE B 8 67.439 74.607 53.374 1.00 14.32 H new HETATM 0 HB2 MSE B 8 67.650 74.272 50.569 1.00 14.25 H new HETATM 0 HB3 MSE B 8 67.534 73.074 51.560 1.00 14.25 H new HETATM 0 HG2 MSE B 8 65.346 73.885 52.158 1.00 19.33 H new HETATM 0 HG3 MSE B 8 65.471 74.918 50.997 1.00 19.33 H new HETATM 0 HE1 MSE B 8 65.577 72.944 47.643 1.00 20.82 H new HETATM 0 HE2 MSE B 8 65.412 74.380 48.290 1.00 20.82 H new HETATM 0 HE3 MSE B 8 66.771 73.585 48.463 1.00 20.82 H new ATOM 491 N HIS B 9 69.845 73.993 53.624 1.00 13.53 N ATOM 492 CA HIS B 9 71.272 73.711 53.731 1.00 14.04 C ATOM 493 C HIS B 9 71.481 72.243 53.377 1.00 13.18 C ATOM 494 O HIS B 9 70.968 71.355 54.048 1.00 11.24 O ATOM 495 CB HIS B 9 71.775 74.027 55.143 1.00 15.02 C ATOM 496 CG HIS B 9 71.687 75.481 55.491 1.00 20.57 C ATOM 497 ND1 HIS B 9 70.518 76.080 55.913 1.00 24.03 N ATOM 498 CD2 HIS B 9 72.610 76.472 55.420 1.00 22.54 C ATOM 499 CE1 HIS B 9 70.726 77.376 56.088 1.00 23.34 C ATOM 500 NE2 HIS B 9 71.986 77.636 55.795 1.00 24.22 N ATOM 0 H HIS B 9 69.370 73.706 54.281 1.00 13.53 H new ATOM 0 HA HIS B 9 71.780 74.269 53.121 1.00 14.04 H new ATOM 0 HB2 HIS B 9 71.259 73.515 55.786 1.00 15.02 H new ATOM 0 HB3 HIS B 9 72.697 73.737 55.224 1.00 15.02 H new ATOM 0 HD2 HIS B 9 73.500 76.380 55.165 1.00 22.54 H new ATOM 0 HE1 HIS B 9 70.093 77.996 56.369 1.00 23.34 H new ATOM 0 HE2 HIS B 9 72.357 78.411 55.833 1.00 24.22 H new ATOM 501 N THR B 10 72.235 71.997 52.313 1.00 13.35 N ATOM 502 CA THR B 10 72.470 70.640 51.841 1.00 15.23 C ATOM 503 C THR B 10 73.689 69.962 52.447 1.00 17.45 C ATOM 504 O THR B 10 74.477 70.579 53.169 1.00 18.67 O ATOM 505 CB THR B 10 72.599 70.617 50.298 1.00 15.37 C ATOM 506 OG1 THR B 10 73.837 71.220 49.901 1.00 14.99 O ATOM 507 CG2 THR B 10 71.459 71.401 49.670 1.00 15.77 C ATOM 0 H THR B 10 72.622 72.607 51.847 1.00 13.35 H new ATOM 0 HA THR B 10 71.695 70.135 52.134 1.00 15.23 H new ATOM 0 HB THR B 10 72.570 69.694 50.001 1.00 15.37 H new ATOM 0 HG1 THR B 10 74.278 70.676 49.438 1.00 14.99 H new ATOM 0 HG21 THR B 10 71.547 71.382 48.704 1.00 15.77 H new ATOM 0 HG22 THR B 10 70.612 71.002 49.925 1.00 15.77 H new ATOM 0 HG23 THR B 10 71.489 72.320 49.979 1.00 15.77 H new ATOM 508 N ASN B 11 73.828 68.676 52.153 1.00 17.19 N ATOM 509 CA ASN B 11 74.949 67.901 52.648 1.00 20.13 C ATOM 510 C ASN B 11 76.115 67.986 51.670 1.00 23.07 C ATOM 511 O ASN B 11 77.153 67.362 51.880 1.00 26.44 O ATOM 512 CB ASN B 11 74.541 66.442 52.844 1.00 18.70 C ATOM 513 CG ASN B 11 73.624 66.253 54.039 1.00 19.96 C ATOM 514 OD1 ASN B 11 74.024 66.793 55.182 1.00 21.80 O flip ATOM 515 ND2 ASN B 11 72.570 65.628 53.935 1.00 16.74 N flip ATOM 0 H ASN B 11 73.277 68.232 51.664 1.00 17.19 H new ATOM 0 HA ASN B 11 75.224 68.266 53.503 1.00 20.13 H new ATOM 0 HB2 ASN B 11 74.095 66.123 52.044 1.00 18.70 H new ATOM 0 HB3 ASN B 11 75.336 65.899 52.961 1.00 18.70 H new ATOM 0 HD21 ASN B 11 72.343 65.291 53.177 1.00 16.74 H new ATOM 0 HD22 ASN B 11 72.060 65.528 54.620 1.00 16.74 H new ATOM 516 N ASP B 12 75.943 68.745 50.592 1.00 24.11 N ATOM 517 CA ASP B 12 77.023 68.896 49.628 1.00 25.84 C ATOM 518 C ASP B 12 77.547 70.325 49.583 1.00 26.77 C ATOM 519 O ASP B 12 78.017 70.800 48.549 1.00 27.93 O ATOM 520 CB ASP B 12 76.596 68.406 48.229 1.00 26.01 C ATOM 521 CG ASP B 12 75.350 69.095 47.700 1.00 28.48 C ATOM 522 OD1 ASP B 12 74.610 68.445 46.929 1.00 28.39 O ATOM 523 OD2 ASP B 12 75.112 70.273 48.029 1.00 27.34 O ATOM 0 H ASP B 12 75.222 69.173 50.404 1.00 24.11 H new ATOM 0 HA ASP B 12 77.756 68.334 49.926 1.00 25.84 H new ATOM 0 HB2 ASP B 12 77.326 68.551 47.607 1.00 26.01 H new ATOM 0 HB3 ASP B 12 76.438 67.450 48.263 1.00 26.01 H new ATOM 524 N GLY B 13 77.464 70.999 50.727 1.00 26.77 N ATOM 525 CA GLY B 13 77.959 72.360 50.844 1.00 28.00 C ATOM 526 C GLY B 13 77.217 73.444 50.092 1.00 27.53 C ATOM 527 O GLY B 13 77.839 74.305 49.470 1.00 29.14 O ATOM 0 H GLY B 13 77.122 70.681 51.449 1.00 26.77 H new ATOM 0 HA2 GLY B 13 77.962 72.597 51.785 1.00 28.00 H new ATOM 0 HA3 GLY B 13 78.882 72.369 50.547 1.00 28.00 H new ATOM 528 N ARG B 14 75.890 73.419 50.149 1.00 23.77 N ATOM 529 CA ARG B 14 75.095 74.425 49.464 1.00 20.34 C ATOM 530 C ARG B 14 73.993 75.019 50.332 1.00 19.82 C ATOM 531 O ARG B 14 73.479 74.374 51.248 1.00 18.18 O ATOM 532 CB ARG B 14 74.451 73.839 48.205 1.00 21.66 C ATOM 533 CG ARG B 14 75.396 73.582 47.049 1.00 22.47 C ATOM 534 CD ARG B 14 74.616 73.091 45.832 1.00 23.53 C ATOM 535 NE ARG B 14 73.998 71.788 46.066 1.00 23.91 N ATOM 536 CZ ARG B 14 73.036 71.268 45.310 1.00 25.00 C ATOM 537 NH1 ARG B 14 72.567 71.939 44.268 1.00 26.49 N ATOM 538 NH2 ARG B 14 72.550 70.069 45.591 1.00 27.13 N ATOM 0 H ARG B 14 75.434 72.829 50.578 1.00 23.77 H new ATOM 0 HA ARG B 14 75.715 75.136 49.237 1.00 20.34 H new ATOM 0 HB2 ARG B 14 74.018 73.003 48.441 1.00 21.66 H new ATOM 0 HB3 ARG B 14 73.755 74.444 47.905 1.00 21.66 H new ATOM 0 HG2 ARG B 14 75.876 74.395 46.828 1.00 22.47 H new ATOM 0 HG3 ARG B 14 76.059 72.922 47.305 1.00 22.47 H new ATOM 0 HD2 ARG B 14 73.929 73.738 45.607 1.00 23.53 H new ATOM 0 HD3 ARG B 14 75.212 73.033 45.069 1.00 23.53 H new ATOM 0 HE ARG B 14 74.275 71.327 46.737 1.00 23.91 H new ATOM 0 HH11 ARG B 14 72.885 72.715 44.078 1.00 26.49 H new ATOM 0 HH12 ARG B 14 71.945 71.598 43.782 1.00 26.49 H new ATOM 0 HH21 ARG B 14 72.857 69.627 46.262 1.00 27.13 H new ATOM 0 HH22 ARG B 14 71.928 69.732 45.102 1.00 27.13 H new ATOM 539 N SER B 15 73.654 76.267 50.037 1.00 17.75 N ATOM 540 CA SER B 15 72.585 76.983 50.715 1.00 19.10 C ATOM 541 C SER B 15 71.666 77.402 49.580 1.00 20.24 C ATOM 542 O SER B 15 72.004 78.289 48.799 1.00 23.73 O ATOM 543 CB SER B 15 73.120 78.221 51.439 1.00 19.85 C ATOM 544 OG SER B 15 73.853 77.860 52.597 1.00 20.36 O ATOM 0 H SER B 15 74.046 76.729 49.427 1.00 17.75 H new ATOM 0 HA SER B 15 72.147 76.442 51.391 1.00 19.10 H new ATOM 0 HB2 SER B 15 73.688 78.730 50.839 1.00 19.85 H new ATOM 0 HB3 SER B 15 72.381 78.798 51.688 1.00 19.85 H new ATOM 0 HG SER B 15 74.137 78.553 52.976 1.00 20.36 H new ATOM 545 N ILE B 16 70.513 76.752 49.484 1.00 17.25 N ATOM 546 CA ILE B 16 69.561 77.032 48.418 1.00 16.17 C ATOM 547 C ILE B 16 68.356 77.834 48.897 1.00 15.87 C ATOM 548 O ILE B 16 67.671 77.434 49.833 1.00 14.68 O ATOM 549 CB ILE B 16 69.062 75.713 47.797 1.00 16.19 C ATOM 550 CG1 ILE B 16 70.257 74.848 47.397 1.00 16.64 C ATOM 551 CG2 ILE B 16 68.194 75.999 46.582 1.00 16.54 C ATOM 552 CD1 ILE B 16 69.881 73.433 46.990 1.00 15.72 C ATOM 0 H ILE B 16 70.261 76.139 50.032 1.00 17.25 H new ATOM 0 HA ILE B 16 70.032 77.566 47.760 1.00 16.17 H new ATOM 0 HB ILE B 16 68.529 75.236 48.453 1.00 16.19 H new ATOM 0 HG12 ILE B 16 70.722 75.275 46.660 1.00 16.64 H new ATOM 0 HG13 ILE B 16 70.879 74.807 48.140 1.00 16.64 H new ATOM 0 HG21 ILE B 16 67.886 75.162 46.200 1.00 16.54 H new ATOM 0 HG22 ILE B 16 67.429 76.533 46.849 1.00 16.54 H new ATOM 0 HG23 ILE B 16 68.712 76.484 45.921 1.00 16.54 H new ATOM 0 HD11 ILE B 16 70.682 72.942 46.750 1.00 15.72 H new ATOM 0 HD12 ILE B 16 69.440 72.989 47.731 1.00 15.72 H new ATOM 0 HD13 ILE B 16 69.281 73.464 46.229 1.00 15.72 H new ATOM 553 N VAL B 17 68.101 78.966 48.246 1.00 14.91 N ATOM 554 CA VAL B 17 66.971 79.814 48.603 1.00 15.61 C ATOM 555 C VAL B 17 65.771 79.388 47.778 1.00 16.99 C ATOM 556 O VAL B 17 65.880 79.202 46.567 1.00 16.98 O ATOM 557 CB VAL B 17 67.258 81.302 48.312 1.00 15.52 C ATOM 558 CG1 VAL B 17 66.020 82.133 48.601 1.00 16.08 C ATOM 559 CG2 VAL B 17 68.431 81.778 49.162 1.00 14.12 C ATOM 0 H VAL B 17 68.574 79.261 47.591 1.00 14.91 H new ATOM 0 HA VAL B 17 66.805 79.715 49.554 1.00 15.61 H new ATOM 0 HB VAL B 17 67.490 81.407 47.376 1.00 15.52 H new ATOM 0 HG11 VAL B 17 66.206 83.067 48.416 1.00 16.08 H new ATOM 0 HG12 VAL B 17 65.289 81.832 48.038 1.00 16.08 H new ATOM 0 HG13 VAL B 17 65.772 82.031 49.533 1.00 16.08 H new ATOM 0 HG21 VAL B 17 68.607 82.713 48.976 1.00 14.12 H new ATOM 0 HG22 VAL B 17 68.214 81.671 50.101 1.00 14.12 H new ATOM 0 HG23 VAL B 17 69.218 81.253 48.950 1.00 14.12 H new ATOM 560 N THR B 18 64.625 79.239 48.427 1.00 15.08 N ATOM 561 CA THR B 18 63.429 78.825 47.714 1.00 18.39 C ATOM 562 C THR B 18 62.339 79.883 47.740 1.00 19.15 C ATOM 563 O THR B 18 62.313 80.751 48.613 1.00 19.01 O ATOM 564 CB THR B 18 62.857 77.521 48.296 1.00 20.20 C ATOM 565 OG1 THR B 18 61.761 77.080 47.486 1.00 26.34 O ATOM 566 CG2 THR B 18 62.367 77.742 49.708 1.00 15.40 C ATOM 0 H THR B 18 64.519 79.371 49.270 1.00 15.08 H new ATOM 0 HA THR B 18 63.705 78.686 46.794 1.00 18.39 H new ATOM 0 HB THR B 18 63.558 76.851 48.305 1.00 20.20 H new ATOM 0 HG1 THR B 18 61.921 77.252 46.680 1.00 26.34 H new ATOM 0 HG21 THR B 18 62.010 76.912 50.060 1.00 15.40 H new ATOM 0 HG22 THR B 18 63.105 78.038 50.264 1.00 15.40 H new ATOM 0 HG23 THR B 18 61.672 78.418 49.707 1.00 15.40 H new ATOM 567 N ASP B 19 61.450 79.799 46.758 1.00 18.60 N ATOM 568 CA ASP B 19 60.320 80.708 46.619 1.00 20.77 C ATOM 569 C ASP B 19 59.128 79.911 47.138 1.00 19.32 C ATOM 570 O ASP B 19 58.547 79.112 46.407 1.00 19.84 O ATOM 571 CB ASP B 19 60.111 81.050 45.141 1.00 23.04 C ATOM 572 CG ASP B 19 59.023 82.086 44.923 1.00 27.03 C ATOM 573 OD1 ASP B 19 57.969 82.005 45.586 1.00 28.71 O ATOM 574 OD2 ASP B 19 59.220 82.978 44.070 1.00 32.21 O ATOM 0 H ASP B 19 61.487 79.200 46.142 1.00 18.60 H new ATOM 0 HA ASP B 19 60.449 81.542 47.097 1.00 20.77 H new ATOM 0 HB2 ASP B 19 60.944 81.379 44.769 1.00 23.04 H new ATOM 0 HB3 ASP B 19 59.883 80.242 44.656 1.00 23.04 H new ATOM 575 N GLY B 20 58.773 80.122 48.400 1.00 19.35 N ATOM 576 CA GLY B 20 57.673 79.378 48.982 1.00 16.36 C ATOM 577 C GLY B 20 58.226 78.191 49.751 1.00 15.65 C ATOM 578 O GLY B 20 59.408 77.861 49.630 1.00 15.85 O ATOM 0 H GLY B 20 59.153 80.685 48.928 1.00 19.35 H new ATOM 0 HA2 GLY B 20 57.159 79.949 49.574 1.00 16.36 H new ATOM 0 HA3 GLY B 20 57.070 79.074 48.286 1.00 16.36 H new ATOM 579 N LYS B 21 57.381 77.542 50.542 1.00 14.95 N ATOM 580 CA LYS B 21 57.824 76.400 51.334 1.00 13.49 C ATOM 581 C LYS B 21 57.933 75.125 50.503 1.00 11.75 C ATOM 582 O LYS B 21 56.989 74.736 49.813 1.00 12.26 O ATOM 583 CB LYS B 21 56.862 76.170 52.505 1.00 13.19 C ATOM 584 CG LYS B 21 57.306 75.084 53.467 1.00 14.37 C ATOM 585 CD LYS B 21 56.321 74.915 54.617 1.00 13.36 C ATOM 586 CE LYS B 21 56.767 73.807 55.564 1.00 16.32 C ATOM 587 NZ LYS B 21 55.758 73.550 56.631 1.00 18.92 N ATOM 0 H LYS B 21 56.550 77.745 50.635 1.00 14.95 H new ATOM 0 HA LYS B 21 58.710 76.609 51.668 1.00 13.49 H new ATOM 0 HB2 LYS B 21 56.760 77.001 52.995 1.00 13.19 H new ATOM 0 HB3 LYS B 21 55.988 75.939 52.153 1.00 13.19 H new ATOM 0 HG2 LYS B 21 57.394 74.244 52.990 1.00 14.37 H new ATOM 0 HG3 LYS B 21 58.182 75.303 53.820 1.00 14.37 H new ATOM 0 HD2 LYS B 21 56.243 75.750 55.105 1.00 13.36 H new ATOM 0 HD3 LYS B 21 55.441 74.709 54.265 1.00 13.36 H new ATOM 0 HE2 LYS B 21 56.919 72.992 55.060 1.00 16.32 H new ATOM 0 HE3 LYS B 21 57.613 74.051 55.971 1.00 16.32 H new ATOM 0 HZ1 LYS B 21 56.049 72.900 57.165 1.00 18.92 H new ATOM 0 HZ2 LYS B 21 55.634 74.291 57.108 1.00 18.92 H new ATOM 0 HZ3 LYS B 21 54.988 73.305 56.259 1.00 18.92 H new ATOM 588 N PRO B 22 59.103 74.471 50.534 1.00 10.84 N ATOM 589 CA PRO B 22 59.306 73.231 49.780 1.00 10.46 C ATOM 590 C PRO B 22 58.342 72.157 50.282 1.00 12.04 C ATOM 591 O PRO B 22 57.802 72.258 51.388 1.00 10.57 O ATOM 592 CB PRO B 22 60.752 72.871 50.095 1.00 11.76 C ATOM 593 CG PRO B 22 61.397 74.204 50.271 1.00 13.97 C ATOM 594 CD PRO B 22 60.375 74.952 51.101 1.00 11.61 C ATOM 0 HA PRO B 22 59.143 73.315 48.828 1.00 10.46 H new ATOM 0 HB2 PRO B 22 60.821 72.330 50.897 1.00 11.76 H new ATOM 0 HB3 PRO B 22 61.162 72.366 49.375 1.00 11.76 H new ATOM 0 HG2 PRO B 22 62.251 74.135 50.725 1.00 13.97 H new ATOM 0 HG3 PRO B 22 61.562 74.641 49.421 1.00 13.97 H new ATOM 0 HD2 PRO B 22 60.453 74.744 52.045 1.00 11.61 H new ATOM 0 HD3 PRO B 22 60.470 75.913 51.013 1.00 11.61 H new ATOM 595 N GLN B 23 58.109 71.134 49.471 1.00 11.64 N ATOM 596 CA GLN B 23 57.229 70.061 49.897 1.00 12.63 C ATOM 597 C GLN B 23 57.584 68.766 49.195 1.00 11.21 C ATOM 598 O GLN B 23 58.175 68.761 48.113 1.00 10.78 O ATOM 599 CB GLN B 23 55.761 70.395 49.620 1.00 15.64 C ATOM 600 CG GLN B 23 55.391 70.462 48.152 1.00 22.56 C ATOM 601 CD GLN B 23 53.920 70.155 47.911 1.00 28.52 C ATOM 602 OE1 GLN B 23 53.035 70.768 48.514 1.00 29.95 O ATOM 603 NE2 GLN B 23 53.654 69.204 47.022 1.00 31.41 N ATOM 0 H GLN B 23 58.444 71.044 48.684 1.00 11.64 H new ATOM 0 HA GLN B 23 57.350 69.956 50.854 1.00 12.63 H new ATOM 0 HB2 GLN B 23 55.204 69.728 50.051 1.00 15.64 H new ATOM 0 HB3 GLN B 23 55.553 71.248 50.032 1.00 15.64 H new ATOM 0 HG2 GLN B 23 55.595 71.346 47.810 1.00 22.56 H new ATOM 0 HG3 GLN B 23 55.936 69.833 47.654 1.00 22.56 H new ATOM 0 HE21 GLN B 23 54.297 68.798 46.621 1.00 31.41 H new ATOM 0 HE22 GLN B 23 52.838 68.994 46.848 1.00 31.41 H new ATOM 604 N THR B 24 57.224 67.662 49.827 1.00 11.76 N ATOM 605 CA THR B 24 57.489 66.359 49.254 1.00 10.46 C ATOM 606 C THR B 24 56.675 66.238 47.974 1.00 11.21 C ATOM 607 O THR B 24 55.473 66.480 47.982 1.00 9.33 O ATOM 608 CB THR B 24 57.070 65.243 50.218 1.00 10.87 C ATOM 609 OG1 THR B 24 57.721 65.437 51.478 1.00 8.20 O ATOM 610 CG2 THR B 24 57.459 63.882 49.647 1.00 12.21 C ATOM 0 H THR B 24 56.825 67.647 50.589 1.00 11.76 H new ATOM 0 HA THR B 24 58.439 66.270 49.078 1.00 10.46 H new ATOM 0 HB THR B 24 56.108 65.271 50.338 1.00 10.87 H new ATOM 0 HG1 THR B 24 57.309 65.012 52.075 1.00 8.20 H new ATOM 0 HG21 THR B 24 57.190 63.183 50.264 1.00 12.21 H new ATOM 0 HG22 THR B 24 57.015 63.749 48.795 1.00 12.21 H new ATOM 0 HG23 THR B 24 58.420 63.847 49.519 1.00 12.21 H new ATOM 611 N ASP B 25 57.336 65.869 46.877 1.00 9.92 N ATOM 612 CA ASP B 25 56.675 65.706 45.583 1.00 9.56 C ATOM 613 C ASP B 25 55.745 64.493 45.627 1.00 10.47 C ATOM 614 O ASP B 25 56.171 63.387 45.960 1.00 7.85 O ATOM 615 CB ASP B 25 57.737 65.531 44.484 1.00 12.23 C ATOM 616 CG ASP B 25 57.153 65.559 43.078 1.00 11.91 C ATOM 617 OD1 ASP B 25 56.646 64.521 42.606 1.00 12.84 O ATOM 618 OD2 ASP B 25 57.201 66.633 42.443 1.00 14.08 O ATOM 0 H ASP B 25 58.180 65.706 46.863 1.00 9.92 H new ATOM 0 HA ASP B 25 56.146 66.494 45.385 1.00 9.56 H new ATOM 0 HB2 ASP B 25 58.399 66.235 44.567 1.00 12.23 H new ATOM 0 HB3 ASP B 25 58.199 64.689 44.620 1.00 12.23 H new ATOM 619 N ASN B 26 54.475 64.716 45.289 1.00 9.41 N ATOM 620 CA ASN B 26 53.458 63.662 45.284 1.00 10.39 C ATOM 621 C ASN B 26 53.796 62.490 44.354 1.00 9.86 C ATOM 622 O ASN B 26 53.388 61.352 44.602 1.00 9.66 O ATOM 623 CB ASN B 26 52.098 64.241 44.859 1.00 11.95 C ATOM 624 CG ASN B 26 51.513 65.214 45.887 1.00 14.28 C ATOM 625 OD1 ASN B 26 52.027 65.173 47.106 1.00 15.55 O flip ATOM 626 ND2 ASN B 26 50.601 65.986 45.576 1.00 9.65 N flip ATOM 0 H ASN B 26 54.177 65.488 45.055 1.00 9.41 H new ATOM 0 HA ASN B 26 53.427 63.320 46.191 1.00 10.39 H new ATOM 0 HB2 ASN B 26 52.198 64.698 44.009 1.00 11.95 H new ATOM 0 HB3 ASN B 26 51.472 63.513 44.718 1.00 11.95 H new ATOM 0 HD21 ASN B 26 50.292 65.985 44.774 1.00 9.65 H new ATOM 0 HD22 ASN B 26 50.275 66.525 46.162 1.00 9.65 H new ATOM 627 N ASP B 27 54.525 62.764 43.276 1.00 9.60 N ATOM 628 CA ASP B 27 54.876 61.721 42.319 1.00 10.97 C ATOM 629 C ASP B 27 56.154 60.940 42.610 1.00 10.44 C ATOM 630 O ASP B 27 56.172 59.717 42.469 1.00 10.36 O ATOM 631 CB ASP B 27 54.999 62.313 40.910 1.00 11.78 C ATOM 632 CG ASP B 27 53.716 62.969 40.434 1.00 12.96 C ATOM 633 OD1 ASP B 27 52.692 62.266 40.329 1.00 15.37 O ATOM 634 OD2 ASP B 27 53.738 64.187 40.158 1.00 14.78 O ATOM 0 H ASP B 27 54.825 63.546 43.081 1.00 9.60 H new ATOM 0 HA ASP B 27 54.147 61.086 42.397 1.00 10.97 H new ATOM 0 HB2 ASP B 27 55.715 62.967 40.900 1.00 11.78 H new ATOM 0 HB3 ASP B 27 55.248 61.611 40.289 1.00 11.78 H new ATOM 635 N THR B 28 57.207 61.646 43.024 1.00 11.14 N ATOM 636 CA THR B 28 58.521 61.031 43.253 1.00 9.57 C ATOM 637 C THR B 28 59.008 60.804 44.675 1.00 9.09 C ATOM 638 O THR B 28 59.875 59.958 44.898 1.00 6.68 O ATOM 639 CB THR B 28 59.625 61.858 42.581 1.00 10.12 C ATOM 640 OG1 THR B 28 59.721 63.134 43.230 1.00 8.49 O ATOM 641 CG2 THR B 28 59.318 62.060 41.112 1.00 9.45 C ATOM 0 H THR B 28 57.182 62.491 43.180 1.00 11.14 H new ATOM 0 HA THR B 28 58.363 60.149 42.881 1.00 9.57 H new ATOM 0 HB THR B 28 60.467 61.382 42.660 1.00 10.12 H new ATOM 0 HG1 THR B 28 60.071 63.690 42.706 1.00 8.49 H new ATOM 0 HG21 THR B 28 60.024 62.584 40.703 1.00 9.45 H new ATOM 0 HG22 THR B 28 59.259 61.198 40.672 1.00 9.45 H new ATOM 0 HG23 THR B 28 58.474 62.528 41.019 1.00 9.45 H new ATOM 642 N GLY B 29 58.490 61.573 45.622 1.00 6.41 N ATOM 643 CA GLY B 29 58.939 61.431 46.991 1.00 7.66 C ATOM 644 C GLY B 29 60.163 62.293 47.247 1.00 7.55 C ATOM 645 O GLY B 29 60.723 62.275 48.341 1.00 7.99 O ATOM 0 H GLY B 29 57.887 62.173 45.494 1.00 6.41 H new ATOM 0 HA2 GLY B 29 58.226 61.685 47.598 1.00 7.66 H new ATOM 0 HA3 GLY B 29 59.149 60.502 47.173 1.00 7.66 H new HETATM 646 N MSE B 30 60.596 63.029 46.226 1.00 6.81 N HETATM 647 CA MSE B 30 61.743 63.929 46.350 1.00 7.73 C HETATM 648 C MSE B 30 61.187 65.230 46.920 1.00 8.15 C HETATM 649 O MSE B 30 59.971 65.416 46.968 1.00 9.54 O HETATM 650 CB MSE B 30 62.336 64.240 44.973 1.00 10.15 C HETATM 651 CG MSE B 30 62.764 63.040 44.165 1.00 15.51 C HETATM 652 SE MSE B 30 64.599 62.579 44.471 1.00 26.64 SE HETATM 653 CE MSE B 30 64.667 60.965 43.446 1.00 25.17 C HETATM 0 H MSE B 30 60.236 63.022 45.445 1.00 6.81 H new HETATM 0 HA MSE B 30 62.433 63.529 46.903 1.00 7.73 H new HETATM 0 HB2 MSE B 30 61.680 64.738 44.461 1.00 10.15 H new HETATM 0 HB3 MSE B 30 63.104 64.821 45.092 1.00 10.15 H new HETATM 0 HG2 MSE B 30 62.200 62.283 44.389 1.00 15.51 H new HETATM 0 HG3 MSE B 30 62.631 63.223 43.222 1.00 15.51 H new HETATM 0 HE1 MSE B 30 65.559 60.588 43.495 1.00 25.17 H new HETATM 0 HE2 MSE B 30 64.027 60.329 43.801 1.00 25.17 H new HETATM 0 HE3 MSE B 30 64.449 61.159 42.521 1.00 25.17 H new ATOM 654 N ILE B 31 62.065 66.130 47.343 1.00 7.31 N ATOM 655 CA ILE B 31 61.620 67.419 47.854 1.00 6.28 C ATOM 656 C ILE B 31 61.479 68.366 46.669 1.00 8.02 C ATOM 657 O ILE B 31 62.465 68.660 45.987 1.00 8.19 O ATOM 658 CB ILE B 31 62.644 68.034 48.825 1.00 8.87 C ATOM 659 CG1 ILE B 31 62.759 67.179 50.086 1.00 9.83 C ATOM 660 CG2 ILE B 31 62.214 69.455 49.190 1.00 5.77 C ATOM 661 CD1 ILE B 31 63.764 67.722 51.078 1.00 21.13 C ATOM 0 H ILE B 31 62.917 66.016 47.343 1.00 7.31 H new ATOM 0 HA ILE B 31 60.784 67.290 48.328 1.00 6.28 H new ATOM 0 HB ILE B 31 63.512 68.064 48.393 1.00 8.87 H new ATOM 0 HG12 ILE B 31 61.890 67.122 50.512 1.00 9.83 H new ATOM 0 HG13 ILE B 31 63.013 66.277 49.837 1.00 9.83 H new ATOM 0 HG21 ILE B 31 62.860 69.842 49.802 1.00 5.77 H new ATOM 0 HG22 ILE B 31 62.167 69.996 48.386 1.00 5.77 H new ATOM 0 HG23 ILE B 31 61.342 69.431 49.614 1.00 5.77 H new ATOM 0 HD11 ILE B 31 63.796 67.143 51.856 1.00 21.13 H new ATOM 0 HD12 ILE B 31 64.641 67.757 50.665 1.00 21.13 H new ATOM 0 HD13 ILE B 31 63.500 68.615 51.351 1.00 21.13 H new ATOM 662 N SER B 32 60.263 68.832 46.401 1.00 7.76 N ATOM 663 CA SER B 32 60.065 69.762 45.296 1.00 11.46 C ATOM 664 C SER B 32 60.109 71.197 45.823 1.00 11.22 C ATOM 665 O SER B 32 59.666 71.468 46.938 1.00 9.13 O ATOM 666 CB SER B 32 58.718 69.514 44.615 1.00 14.10 C ATOM 667 OG SER B 32 57.655 69.814 45.500 1.00 21.04 O ATOM 0 H SER B 32 59.552 68.627 46.838 1.00 7.76 H new ATOM 0 HA SER B 32 60.772 69.625 44.647 1.00 11.46 H new ATOM 0 HB2 SER B 32 58.647 70.061 43.817 1.00 14.10 H new ATOM 0 HB3 SER B 32 58.658 68.589 44.330 1.00 14.10 H new ATOM 0 HG SER B 32 57.843 69.533 46.269 1.00 21.04 H new ATOM 668 N TYR B 33 60.653 72.107 45.022 1.00 11.26 N ATOM 669 CA TYR B 33 60.730 73.506 45.414 1.00 12.97 C ATOM 670 C TYR B 33 60.900 74.402 44.191 1.00 14.32 C ATOM 671 O TYR B 33 61.136 73.915 43.087 1.00 14.31 O ATOM 672 CB TYR B 33 61.898 73.738 46.383 1.00 10.17 C ATOM 673 CG TYR B 33 63.275 73.562 45.780 1.00 13.02 C ATOM 674 CD1 TYR B 33 63.837 72.295 45.617 1.00 12.69 C ATOM 675 CD2 TYR B 33 64.025 74.666 45.382 1.00 13.99 C ATOM 676 CE1 TYR B 33 65.120 72.133 45.076 1.00 11.94 C ATOM 677 CE2 TYR B 33 65.305 74.515 44.837 1.00 14.11 C ATOM 678 CZ TYR B 33 65.843 73.251 44.690 1.00 15.05 C ATOM 679 OH TYR B 33 67.102 73.108 44.157 1.00 15.92 O ATOM 0 H TYR B 33 60.983 71.933 44.247 1.00 11.26 H new ATOM 0 HA TYR B 33 59.899 73.732 45.860 1.00 12.97 H new ATOM 0 HB2 TYR B 33 61.829 74.637 46.742 1.00 10.17 H new ATOM 0 HB3 TYR B 33 61.807 73.127 47.130 1.00 10.17 H new ATOM 0 HD1 TYR B 33 63.351 71.544 45.872 1.00 12.69 H new ATOM 0 HD2 TYR B 33 63.669 75.519 45.480 1.00 13.99 H new ATOM 0 HE1 TYR B 33 65.483 71.283 44.977 1.00 11.94 H new ATOM 0 HE2 TYR B 33 65.792 75.263 44.575 1.00 14.11 H new ATOM 0 HH TYR B 33 67.415 73.865 43.971 1.00 15.92 H new ATOM 680 N LYS B 34 60.755 75.708 44.392 1.00 15.59 N ATOM 681 CA LYS B 34 60.936 76.679 43.316 1.00 18.62 C ATOM 682 C LYS B 34 62.174 77.472 43.703 1.00 18.73 C ATOM 683 O LYS B 34 62.241 77.994 44.813 1.00 17.55 O ATOM 684 CB LYS B 34 59.743 77.637 43.223 1.00 21.41 C ATOM 685 CG LYS B 34 58.450 77.025 42.717 1.00 26.26 C ATOM 686 CD LYS B 34 57.420 78.117 42.448 1.00 29.86 C ATOM 687 CE LYS B 34 56.081 77.537 42.016 1.00 33.79 C ATOM 688 NZ LYS B 34 55.460 76.719 43.098 1.00 35.63 N ATOM 0 H LYS B 34 60.550 76.056 45.151 1.00 15.59 H new ATOM 0 HA LYS B 34 61.017 76.235 42.458 1.00 18.62 H new ATOM 0 HB2 LYS B 34 59.582 78.014 44.102 1.00 21.41 H new ATOM 0 HB3 LYS B 34 59.984 78.373 42.639 1.00 21.41 H new ATOM 0 HG2 LYS B 34 58.618 76.523 41.904 1.00 26.26 H new ATOM 0 HG3 LYS B 34 58.103 76.398 43.371 1.00 26.26 H new ATOM 0 HD2 LYS B 34 57.298 78.651 43.249 1.00 29.86 H new ATOM 0 HD3 LYS B 34 57.752 78.712 41.758 1.00 29.86 H new ATOM 0 HE2 LYS B 34 55.480 78.258 41.769 1.00 33.79 H new ATOM 0 HE3 LYS B 34 56.205 76.988 41.226 1.00 33.79 H new ATOM 0 HZ1 LYS B 34 54.606 76.565 42.901 1.00 35.63 H new ATOM 0 HZ2 LYS B 34 55.892 75.944 43.170 1.00 35.63 H new ATOM 0 HZ3 LYS B 34 55.511 77.159 43.870 1.00 35.63 H new ATOM 689 N ASP B 35 63.155 77.564 42.811 1.00 20.16 N ATOM 690 CA ASP B 35 64.360 78.309 43.147 1.00 22.59 C ATOM 691 C ASP B 35 64.084 79.806 43.206 1.00 24.20 C ATOM 692 O ASP B 35 62.947 80.248 43.025 1.00 22.48 O ATOM 693 CB ASP B 35 65.501 78.021 42.159 1.00 23.51 C ATOM 694 CG ASP B 35 65.097 78.208 40.708 1.00 24.55 C ATOM 695 OD1 ASP B 35 64.311 79.131 40.409 1.00 26.59 O ATOM 696 OD2 ASP B 35 65.593 77.431 39.861 1.00 23.76 O ATOM 0 H ASP B 35 63.144 77.212 42.026 1.00 20.16 H new ATOM 0 HA ASP B 35 64.640 78.010 44.026 1.00 22.59 H new ATOM 0 HB2 ASP B 35 66.249 78.606 42.358 1.00 23.51 H new ATOM 0 HB3 ASP B 35 65.810 77.111 42.288 1.00 23.51 H new ATOM 697 N ALA B 36 65.129 80.584 43.466 1.00 26.08 N ATOM 698 CA ALA B 36 64.995 82.032 43.567 1.00 29.80 C ATOM 699 C ALA B 36 64.487 82.669 42.276 1.00 30.72 C ATOM 700 O ALA B 36 64.124 83.844 42.264 1.00 32.01 O ATOM 701 CB ALA B 36 66.334 82.646 43.956 1.00 29.90 C ATOM 0 H ALA B 36 65.928 80.291 43.588 1.00 26.08 H new ATOM 0 HA ALA B 36 64.332 82.212 44.252 1.00 29.80 H new ATOM 0 HB1 ALA B 36 66.241 83.609 44.022 1.00 29.90 H new ATOM 0 HB2 ALA B 36 66.617 82.289 44.812 1.00 29.90 H new ATOM 0 HB3 ALA B 36 66.997 82.431 43.281 1.00 29.90 H new ATOM 702 N ASN B 37 64.455 81.893 41.196 1.00 32.68 N ATOM 703 CA ASN B 37 64.002 82.399 39.901 1.00 34.62 C ATOM 704 C ASN B 37 62.630 81.856 39.500 1.00 35.13 C ATOM 705 O ASN B 37 62.219 81.974 38.344 1.00 35.80 O ATOM 706 CB ASN B 37 65.035 82.051 38.828 1.00 36.86 C ATOM 707 CG ASN B 37 66.376 82.724 39.069 1.00 39.04 C ATOM 708 OD1 ASN B 37 66.387 83.728 39.939 1.00 40.05 O flip ATOM 709 ND2 ASN B 37 67.388 82.350 38.475 1.00 39.35 N flip ATOM 0 H ASN B 37 64.692 81.066 41.191 1.00 32.68 H new ATOM 0 HA ASN B 37 63.911 83.361 39.982 1.00 34.62 H new ATOM 0 HB2 ASN B 37 65.159 81.089 38.803 1.00 36.86 H new ATOM 0 HB3 ASN B 37 64.695 82.316 37.959 1.00 36.86 H new ATOM 0 HD21 ASN B 37 67.343 81.696 37.918 1.00 39.35 H new ATOM 0 HD22 ASN B 37 68.140 82.743 38.617 1.00 39.35 H new ATOM 710 N GLY B 38 61.929 81.261 40.461 1.00 34.60 N ATOM 711 CA GLY B 38 60.605 80.721 40.198 1.00 32.91 C ATOM 712 C GLY B 38 60.568 79.412 39.427 1.00 31.79 C ATOM 713 O GLY B 38 59.493 78.937 39.067 1.00 32.08 O ATOM 0 H GLY B 38 62.204 81.161 41.270 1.00 34.60 H new ATOM 0 HA2 GLY B 38 60.153 80.591 41.046 1.00 32.91 H new ATOM 0 HA3 GLY B 38 60.096 81.383 39.704 1.00 32.91 H new ATOM 714 N ASN B 39 61.731 78.819 39.179 1.00 30.07 N ATOM 715 CA ASN B 39 61.793 77.563 38.435 1.00 29.22 C ATOM 716 C ASN B 39 61.676 76.337 39.340 1.00 27.35 C ATOM 717 O ASN B 39 62.364 76.242 40.356 1.00 24.64 O ATOM 718 CB ASN B 39 63.095 77.493 37.638 1.00 31.22 C ATOM 719 CG ASN B 39 63.251 78.661 36.687 1.00 34.50 C ATOM 720 OD1 ASN B 39 62.347 78.962 35.907 1.00 36.02 O ATOM 721 ND2 ASN B 39 64.403 79.322 36.742 1.00 34.45 N ATOM 0 H ASN B 39 62.494 79.125 39.431 1.00 30.07 H new ATOM 0 HA ASN B 39 61.032 77.551 37.833 1.00 29.22 H new ATOM 0 HB2 ASN B 39 63.846 77.475 38.251 1.00 31.22 H new ATOM 0 HB3 ASN B 39 63.120 76.664 37.135 1.00 31.22 H new ATOM 0 HD21 ASN B 39 64.541 79.990 36.219 1.00 34.45 H new ATOM 0 HD22 ASN B 39 65.011 79.081 37.301 1.00 34.45 H new ATOM 722 N LYS B 40 60.805 75.405 38.956 1.00 24.80 N ATOM 723 CA LYS B 40 60.583 74.183 39.724 1.00 23.88 C ATOM 724 C LYS B 40 61.813 73.287 39.719 1.00 21.68 C ATOM 725 O LYS B 40 62.442 73.083 38.683 1.00 21.77 O ATOM 726 CB LYS B 40 59.398 73.399 39.162 1.00 26.08 C ATOM 727 CG LYS B 40 58.091 74.169 39.143 1.00 29.35 C ATOM 728 CD LYS B 40 56.924 73.265 38.754 1.00 32.55 C ATOM 729 CE LYS B 40 55.635 74.060 38.591 1.00 34.62 C ATOM 730 NZ LYS B 40 55.262 74.807 39.825 1.00 35.89 N ATOM 0 H LYS B 40 60.327 75.464 38.243 1.00 24.80 H new ATOM 0 HA LYS B 40 60.395 74.453 40.637 1.00 23.88 H new ATOM 0 HB2 LYS B 40 59.609 73.119 38.258 1.00 26.08 H new ATOM 0 HB3 LYS B 40 59.278 72.593 39.688 1.00 26.08 H new ATOM 0 HG2 LYS B 40 57.927 74.555 40.018 1.00 29.35 H new ATOM 0 HG3 LYS B 40 58.156 74.906 38.516 1.00 29.35 H new ATOM 0 HD2 LYS B 40 57.130 72.807 37.924 1.00 32.55 H new ATOM 0 HD3 LYS B 40 56.801 72.582 39.432 1.00 32.55 H new ATOM 0 HE2 LYS B 40 55.736 74.685 37.856 1.00 34.62 H new ATOM 0 HE3 LYS B 40 54.914 73.456 38.353 1.00 34.62 H new ATOM 0 HZ1 LYS B 40 54.407 74.653 40.019 1.00 35.89 H new ATOM 0 HZ2 LYS B 40 55.773 74.536 40.502 1.00 35.89 H new ATOM 0 HZ3 LYS B 40 55.383 75.679 39.693 1.00 35.89 H new ATOM 731 N GLN B 41 62.142 72.750 40.888 1.00 18.32 N ATOM 732 CA GLN B 41 63.299 71.876 41.040 1.00 15.89 C ATOM 733 C GLN B 41 62.953 70.752 42.005 1.00 12.34 C ATOM 734 O GLN B 41 61.981 70.841 42.754 1.00 10.51 O ATOM 735 CB GLN B 41 64.485 72.649 41.630 1.00 17.35 C ATOM 736 CG GLN B 41 64.858 73.960 40.943 1.00 21.55 C ATOM 737 CD GLN B 41 65.558 73.762 39.615 1.00 23.00 C ATOM 738 OE1 GLN B 41 66.317 72.812 39.436 1.00 24.13 O ATOM 739 NE2 GLN B 41 65.316 74.672 38.678 1.00 24.82 N ATOM 0 H GLN B 41 61.702 72.882 41.615 1.00 18.32 H new ATOM 0 HA GLN B 41 63.536 71.528 40.166 1.00 15.89 H new ATOM 0 HB2 GLN B 41 64.289 72.840 42.561 1.00 17.35 H new ATOM 0 HB3 GLN B 41 65.262 72.068 41.617 1.00 17.35 H new ATOM 0 HG2 GLN B 41 64.054 74.485 40.803 1.00 21.55 H new ATOM 0 HG3 GLN B 41 65.433 74.474 41.531 1.00 21.55 H new ATOM 0 HE21 GLN B 41 64.778 75.323 38.840 1.00 24.82 H new ATOM 0 HE22 GLN B 41 65.697 74.610 37.909 1.00 24.82 H new ATOM 740 N GLN B 42 63.750 69.693 41.977 1.00 10.94 N ATOM 741 CA GLN B 42 63.558 68.583 42.900 1.00 12.20 C ATOM 742 C GLN B 42 64.911 68.171 43.442 1.00 9.38 C ATOM 743 O GLN B 42 65.890 68.095 42.701 1.00 10.40 O ATOM 744 CB GLN B 42 62.905 67.383 42.213 1.00 13.95 C ATOM 745 CG GLN B 42 61.454 67.584 41.814 1.00 15.22 C ATOM 746 CD GLN B 42 60.830 66.304 41.305 1.00 16.92 C ATOM 747 OE1 GLN B 42 60.764 65.310 42.026 1.00 16.90 O ATOM 748 NE2 GLN B 42 60.379 66.315 40.053 1.00 17.62 N ATOM 0 H GLN B 42 64.408 69.597 41.432 1.00 10.94 H new ATOM 0 HA GLN B 42 62.969 68.873 43.614 1.00 12.20 H new ATOM 0 HB2 GLN B 42 63.417 67.164 41.419 1.00 13.95 H new ATOM 0 HB3 GLN B 42 62.960 66.618 42.807 1.00 13.95 H new ATOM 0 HG2 GLN B 42 60.951 67.908 42.577 1.00 15.22 H new ATOM 0 HG3 GLN B 42 61.399 68.266 41.127 1.00 15.22 H new ATOM 0 HE21 GLN B 42 60.443 67.030 39.579 1.00 17.62 H new ATOM 0 HE22 GLN B 42 60.024 65.607 39.718 1.00 17.62 H new ATOM 749 N ILE B 43 64.965 67.927 44.746 1.00 10.18 N ATOM 750 CA ILE B 43 66.196 67.494 45.389 1.00 7.51 C ATOM 751 C ILE B 43 65.847 66.382 46.365 1.00 8.93 C ATOM 752 O ILE B 43 64.798 66.424 47.015 1.00 7.44 O ATOM 753 CB ILE B 43 66.893 68.658 46.149 1.00 8.65 C ATOM 754 CG1 ILE B 43 68.248 68.188 46.687 1.00 10.42 C ATOM 755 CG2 ILE B 43 66.028 69.129 47.328 1.00 9.83 C ATOM 756 CD1 ILE B 43 69.114 69.335 47.219 1.00 11.96 C ATOM 0 H ILE B 43 64.294 68.007 45.278 1.00 10.18 H new ATOM 0 HA ILE B 43 66.815 67.184 44.710 1.00 7.51 H new ATOM 0 HB ILE B 43 67.018 69.394 45.530 1.00 8.65 H new ATOM 0 HG12 ILE B 43 68.102 67.544 47.397 1.00 10.42 H new ATOM 0 HG13 ILE B 43 68.728 67.728 45.981 1.00 10.42 H new ATOM 0 HG21 ILE B 43 66.477 69.854 47.790 1.00 9.83 H new ATOM 0 HG22 ILE B 43 65.171 69.439 46.997 1.00 9.83 H new ATOM 0 HG23 ILE B 43 65.889 68.392 47.943 1.00 9.83 H new ATOM 0 HD11 ILE B 43 69.956 68.981 47.545 1.00 11.96 H new ATOM 0 HD12 ILE B 43 69.285 69.969 46.505 1.00 11.96 H new ATOM 0 HD13 ILE B 43 68.649 69.782 47.944 1.00 11.96 H new ATOM 757 N ASN B 44 66.713 65.378 46.453 1.00 9.41 N ATOM 758 CA ASN B 44 66.481 64.265 47.366 1.00 8.45 C ATOM 759 C ASN B 44 66.552 64.777 48.805 1.00 8.99 C ATOM 760 O ASN B 44 67.470 65.517 49.160 1.00 9.07 O ATOM 761 CB ASN B 44 67.542 63.188 47.153 1.00 9.68 C ATOM 762 CG ASN B 44 67.157 61.862 47.778 1.00 8.36 C ATOM 763 OD1 ASN B 44 66.840 61.794 48.963 1.00 6.61 O ATOM 764 ND2 ASN B 44 67.181 60.800 46.980 1.00 6.63 N ATOM 0 H ASN B 44 67.438 65.322 45.995 1.00 9.41 H new ATOM 0 HA ASN B 44 65.606 63.883 47.195 1.00 8.45 H new ATOM 0 HB2 ASN B 44 67.686 63.064 46.202 1.00 9.68 H new ATOM 0 HB3 ASN B 44 68.384 63.488 47.531 1.00 9.68 H new ATOM 0 HD21 ASN B 44 66.969 60.026 47.288 1.00 6.63 H new ATOM 0 HD22 ASN B 44 67.408 60.887 46.155 1.00 6.63 H new ATOM 765 N ARG B 45 65.581 64.396 49.630 1.00 7.44 N ATOM 766 CA ARG B 45 65.562 64.831 51.024 1.00 8.41 C ATOM 767 C ARG B 45 66.856 64.422 51.734 1.00 8.07 C ATOM 768 O ARG B 45 67.341 65.132 52.615 1.00 7.16 O ATOM 769 CB ARG B 45 64.342 64.236 51.748 1.00 8.60 C ATOM 770 CG ARG B 45 64.117 64.748 53.168 1.00 11.82 C ATOM 771 CD ARG B 45 62.731 64.328 53.657 1.00 13.88 C ATOM 772 NE ARG B 45 62.496 62.950 53.266 1.00 22.52 N ATOM 773 CZ ARG B 45 61.405 62.511 52.656 1.00 16.70 C ATOM 774 NH1 ARG B 45 60.410 63.341 52.363 1.00 19.59 N ATOM 775 NH2 ARG B 45 61.333 61.239 52.311 1.00 21.23 N ATOM 0 H ARG B 45 64.926 63.887 49.404 1.00 7.44 H new ATOM 0 HA ARG B 45 65.496 65.799 51.045 1.00 8.41 H new ATOM 0 HB2 ARG B 45 63.549 64.423 51.222 1.00 8.60 H new ATOM 0 HB3 ARG B 45 64.441 63.272 51.779 1.00 8.60 H new ATOM 0 HG2 ARG B 45 64.799 64.394 53.760 1.00 11.82 H new ATOM 0 HG3 ARG B 45 64.197 65.714 53.189 1.00 11.82 H new ATOM 0 HD2 ARG B 45 62.673 64.418 54.621 1.00 13.88 H new ATOM 0 HD3 ARG B 45 62.051 64.906 53.277 1.00 13.88 H new ATOM 0 HE ARG B 45 63.111 62.376 53.444 1.00 22.52 H new ATOM 0 HH11 ARG B 45 60.470 64.174 52.569 1.00 19.59 H new ATOM 0 HH12 ARG B 45 59.706 63.046 51.967 1.00 19.59 H new ATOM 0 HH21 ARG B 45 61.988 60.709 52.483 1.00 21.23 H new ATOM 0 HH22 ARG B 45 60.631 60.940 51.914 1.00 21.23 H new ATOM 776 N THR B 46 67.422 63.286 51.339 1.00 6.20 N ATOM 777 CA THR B 46 68.661 62.814 51.946 1.00 9.41 C ATOM 778 C THR B 46 69.775 63.862 51.829 1.00 10.52 C ATOM 779 O THR B 46 70.683 63.900 52.665 1.00 8.74 O ATOM 780 CB THR B 46 69.153 61.491 51.290 1.00 10.94 C ATOM 781 OG1 THR B 46 68.152 60.477 51.439 1.00 11.55 O ATOM 782 CG2 THR B 46 70.434 61.005 51.955 1.00 13.87 C ATOM 0 H THR B 46 67.106 62.776 50.723 1.00 6.20 H new ATOM 0 HA THR B 46 68.464 62.653 52.882 1.00 9.41 H new ATOM 0 HB THR B 46 69.323 61.664 50.351 1.00 10.94 H new ATOM 0 HG1 THR B 46 68.117 60.013 50.740 1.00 11.55 H new ATOM 0 HG21 THR B 46 70.725 60.181 51.534 1.00 13.87 H new ATOM 0 HG22 THR B 46 71.125 61.679 51.858 1.00 13.87 H new ATOM 0 HG23 THR B 46 70.269 60.845 52.897 1.00 13.87 H new ATOM 783 N ASP B 47 69.695 64.718 50.808 1.00 10.51 N ATOM 784 CA ASP B 47 70.718 65.746 50.593 1.00 13.61 C ATOM 785 C ASP B 47 70.408 67.065 51.295 1.00 12.96 C ATOM 786 O ASP B 47 71.165 68.030 51.171 1.00 13.05 O ATOM 787 CB ASP B 47 70.916 65.995 49.091 1.00 13.26 C ATOM 788 CG ASP B 47 72.197 66.761 48.784 1.00 19.46 C ATOM 789 OD1 ASP B 47 73.168 66.660 49.568 1.00 21.43 O ATOM 790 OD2 ASP B 47 72.243 67.455 47.745 1.00 22.47 O ATOM 0 H ASP B 47 69.058 64.721 50.230 1.00 10.51 H new ATOM 0 HA ASP B 47 71.535 65.402 50.986 1.00 13.61 H new ATOM 0 HB2 ASP B 47 70.933 65.144 48.626 1.00 13.26 H new ATOM 0 HB3 ASP B 47 70.157 66.491 48.747 1.00 13.26 H new ATOM 791 N VAL B 48 69.299 67.110 52.030 1.00 9.98 N ATOM 792 CA VAL B 48 68.917 68.317 52.762 1.00 9.78 C ATOM 793 C VAL B 48 69.144 68.063 54.247 1.00 9.89 C ATOM 794 O VAL B 48 68.459 67.238 54.846 1.00 10.17 O ATOM 795 CB VAL B 48 67.424 68.669 52.534 1.00 9.40 C ATOM 796 CG1 VAL B 48 67.095 70.015 53.178 1.00 9.52 C ATOM 797 CG2 VAL B 48 67.117 68.698 51.038 1.00 11.47 C ATOM 0 H VAL B 48 68.753 66.452 52.118 1.00 9.98 H new ATOM 0 HA VAL B 48 69.454 69.060 52.444 1.00 9.78 H new ATOM 0 HB VAL B 48 66.871 67.989 52.949 1.00 9.40 H new ATOM 0 HG11 VAL B 48 66.160 70.225 53.029 1.00 9.52 H new ATOM 0 HG12 VAL B 48 67.268 69.969 54.131 1.00 9.52 H new ATOM 0 HG13 VAL B 48 67.648 70.707 52.783 1.00 9.52 H new ATOM 0 HG21 VAL B 48 66.182 68.919 50.904 1.00 11.47 H new ATOM 0 HG22 VAL B 48 67.672 69.366 50.607 1.00 11.47 H new ATOM 0 HG23 VAL B 48 67.302 67.827 50.653 1.00 11.47 H new ATOM 798 N LYS B 49 70.119 68.747 54.842 1.00 11.08 N ATOM 799 CA LYS B 49 70.389 68.538 56.263 1.00 12.11 C ATOM 800 C LYS B 49 69.420 69.329 57.123 1.00 11.17 C ATOM 801 O LYS B 49 68.964 68.854 58.162 1.00 11.46 O ATOM 802 CB LYS B 49 71.834 68.911 56.613 1.00 15.03 C ATOM 803 CG LYS B 49 72.121 68.864 58.108 1.00 18.55 C ATOM 804 CD LYS B 49 73.612 68.969 58.437 1.00 23.19 C ATOM 805 CE LYS B 49 74.317 67.633 58.253 1.00 26.58 C ATOM 806 NZ LYS B 49 75.692 67.644 58.836 1.00 30.56 N ATOM 0 H LYS B 49 70.625 69.323 54.452 1.00 11.08 H new ATOM 0 HA LYS B 49 70.265 67.594 56.448 1.00 12.11 H new ATOM 0 HB2 LYS B 49 72.438 68.306 56.155 1.00 15.03 H new ATOM 0 HB3 LYS B 49 72.021 69.803 56.282 1.00 15.03 H new ATOM 0 HG2 LYS B 49 71.647 69.588 58.546 1.00 18.55 H new ATOM 0 HG3 LYS B 49 71.772 68.036 58.473 1.00 18.55 H new ATOM 0 HD2 LYS B 49 74.025 69.636 57.866 1.00 23.19 H new ATOM 0 HD3 LYS B 49 73.722 69.272 59.352 1.00 23.19 H new ATOM 0 HE2 LYS B 49 73.794 66.931 58.672 1.00 26.58 H new ATOM 0 HE3 LYS B 49 74.369 67.422 57.308 1.00 26.58 H new ATOM 0 HZ1 LYS B 49 76.074 66.850 58.711 1.00 30.56 H new ATOM 0 HZ2 LYS B 49 76.179 68.273 58.437 1.00 30.56 H new ATOM 0 HZ3 LYS B 49 75.644 67.816 59.708 1.00 30.56 H new ATOM 807 N GLU B 50 69.096 70.537 56.685 1.00 12.72 N ATOM 808 CA GLU B 50 68.167 71.367 57.426 1.00 15.00 C ATOM 809 C GLU B 50 67.685 72.544 56.595 1.00 15.06 C ATOM 810 O GLU B 50 68.239 72.838 55.536 1.00 11.81 O ATOM 811 CB GLU B 50 68.825 71.845 58.729 1.00 21.89 C ATOM 812 CG GLU B 50 70.184 72.502 58.566 1.00 26.32 C ATOM 813 CD GLU B 50 71.004 72.479 59.852 1.00 32.68 C ATOM 814 OE1 GLU B 50 70.489 72.905 60.908 1.00 34.45 O ATOM 815 OE2 GLU B 50 72.172 72.034 59.806 1.00 35.84 O ATOM 0 H GLU B 50 69.402 70.892 55.964 1.00 12.72 H new ATOM 0 HA GLU B 50 67.386 70.834 57.644 1.00 15.00 H new ATOM 0 HB2 GLU B 50 68.228 72.474 59.164 1.00 21.89 H new ATOM 0 HB3 GLU B 50 68.919 71.085 59.324 1.00 21.89 H new ATOM 0 HG2 GLU B 50 70.677 72.049 57.864 1.00 26.32 H new ATOM 0 HG3 GLU B 50 70.063 73.421 58.280 1.00 26.32 H new HETATM 816 N MSE B 51 66.618 73.186 57.051 1.00 14.01 N HETATM 817 CA MSE B 51 66.111 74.351 56.352 1.00 15.67 C HETATM 818 C MSE B 51 65.449 75.280 57.353 1.00 15.16 C HETATM 819 O MSE B 51 65.078 74.867 58.451 1.00 15.29 O HETATM 820 CB MSE B 51 65.136 73.959 55.232 1.00 17.20 C HETATM 821 CG MSE B 51 63.723 73.604 55.636 1.00 19.44 C HETATM 822 SE MSE B 51 62.633 73.359 54.034 1.00 33.61 SE HETATM 823 CE MSE B 51 63.138 71.553 53.602 1.00 18.87 C HETATM 0 H MSE B 51 66.178 72.965 57.756 1.00 14.01 H new HETATM 0 HA MSE B 51 66.853 74.810 55.928 1.00 15.67 H new HETATM 0 HB2 MSE B 51 65.092 74.695 54.601 1.00 17.20 H new HETATM 0 HB3 MSE B 51 65.512 73.201 54.758 1.00 17.20 H new HETATM 0 HG2 MSE B 51 63.722 72.792 56.167 1.00 19.44 H new HETATM 0 HG3 MSE B 51 63.348 74.306 56.190 1.00 19.44 H new HETATM 0 HE1 MSE B 51 62.669 71.268 52.802 1.00 18.87 H new HETATM 0 HE2 MSE B 51 64.095 71.513 53.447 1.00 18.87 H new HETATM 0 HE3 MSE B 51 62.906 70.967 54.339 1.00 18.87 H new ATOM 824 N VAL B 52 65.335 76.547 56.983 1.00 15.60 N ATOM 825 CA VAL B 52 64.738 77.543 57.861 1.00 17.08 C ATOM 826 C VAL B 52 63.990 78.574 57.034 1.00 17.37 C ATOM 827 O VAL B 52 64.306 78.785 55.859 1.00 13.84 O ATOM 828 CB VAL B 52 65.821 78.258 58.699 1.00 18.26 C ATOM 829 CG1 VAL B 52 66.799 78.972 57.783 1.00 20.21 C ATOM 830 CG2 VAL B 52 65.175 79.242 59.660 1.00 21.47 C ATOM 0 H VAL B 52 65.598 76.853 56.224 1.00 15.60 H new ATOM 0 HA VAL B 52 64.125 77.090 58.461 1.00 17.08 H new ATOM 0 HB VAL B 52 66.307 77.597 59.217 1.00 18.26 H new ATOM 0 HG11 VAL B 52 67.475 79.418 58.316 1.00 20.21 H new ATOM 0 HG12 VAL B 52 67.224 78.326 57.197 1.00 20.21 H new ATOM 0 HG13 VAL B 52 66.323 79.628 57.250 1.00 20.21 H new ATOM 0 HG21 VAL B 52 65.863 79.685 60.181 1.00 21.47 H new ATOM 0 HG22 VAL B 52 64.674 79.904 59.158 1.00 21.47 H new ATOM 0 HG23 VAL B 52 64.575 78.766 60.256 1.00 21.47 H new ATOM 831 N ALA B 53 63.008 79.214 57.662 1.00 18.73 N ATOM 832 CA ALA B 53 62.189 80.229 57.012 1.00 22.90 C ATOM 833 C ALA B 53 62.608 81.651 57.390 1.00 27.66 C ATOM 834 O ALA B 53 63.744 81.896 57.794 1.00 23.15 O ATOM 835 CB ALA B 53 60.728 80.018 57.375 1.00 24.00 C ATOM 0 H ALA B 53 62.798 79.070 58.483 1.00 18.73 H new ATOM 0 HA ALA B 53 62.318 80.132 56.055 1.00 22.90 H new ATOM 0 HB1 ALA B 53 60.186 80.695 56.941 1.00 24.00 H new ATOM 0 HB2 ALA B 53 60.445 79.139 57.079 1.00 24.00 H new ATOM 0 HB3 ALA B 53 60.620 80.086 58.337 1.00 24.00 H new ATOM 836 N LEU B 54 61.662 82.579 57.257 1.00 33.77 N ATOM 837 CA LEU B 54 61.879 83.991 57.570 1.00 38.40 C ATOM 838 C LEU B 54 60.557 84.640 57.975 1.00 41.66 C ATOM 839 O LEU B 54 60.413 85.861 57.932 1.00 42.01 O ATOM 840 CB LEU B 54 62.455 84.717 56.352 1.00 37.90 C ATOM 841 CG LEU B 54 63.885 84.343 55.962 1.00 39.38 C ATOM 842 CD1 LEU B 54 64.243 84.942 54.602 1.00 39.87 C ATOM 843 CD2 LEU B 54 64.829 84.838 57.043 1.00 37.96 C ATOM 0 H LEU B 54 60.867 82.405 56.979 1.00 33.77 H new ATOM 0 HA LEU B 54 62.508 84.056 58.305 1.00 38.40 H new ATOM 0 HB2 LEU B 54 61.876 84.546 55.592 1.00 37.90 H new ATOM 0 HB3 LEU B 54 62.424 85.671 56.522 1.00 37.90 H new ATOM 0 HG LEU B 54 63.965 83.379 55.884 1.00 39.38 H new ATOM 0 HD11 LEU B 54 65.152 84.696 54.369 1.00 39.87 H new ATOM 0 HD12 LEU B 54 63.634 84.602 53.928 1.00 39.87 H new ATOM 0 HD13 LEU B 54 64.171 85.908 54.645 1.00 39.87 H new ATOM 0 HD21 LEU B 54 65.741 84.607 56.807 1.00 37.96 H new ATOM 0 HD22 LEU B 54 64.751 85.801 57.125 1.00 37.96 H new ATOM 0 HD23 LEU B 54 64.599 84.423 57.889 1.00 37.96 H new ATOM 844 N GLU B 55 59.600 83.803 58.364 1.00 45.31 N ATOM 845 CA GLU B 55 58.273 84.252 58.778 1.00 48.56 C ATOM 846 C GLU B 55 58.309 85.410 59.775 1.00 49.74 C ATOM 847 O GLU B 55 57.995 86.549 59.422 1.00 50.63 O ATOM 848 CB GLU B 55 57.495 83.071 59.368 1.00 49.71 C ATOM 849 CG GLU B 55 58.271 82.259 60.397 1.00 51.13 C ATOM 850 CD GLU B 55 57.537 81.001 60.816 1.00 52.76 C ATOM 851 OE1 GLU B 55 56.392 81.115 61.303 1.00 53.19 O ATOM 852 OE2 GLU B 55 58.105 79.897 60.658 1.00 52.69 O ATOM 0 H GLU B 55 59.703 82.950 58.396 1.00 45.31 H new ATOM 0 HA GLU B 55 57.827 84.589 57.985 1.00 48.56 H new ATOM 0 HB2 GLU B 55 56.684 83.406 59.781 1.00 49.71 H new ATOM 0 HB3 GLU B 55 57.224 82.483 58.646 1.00 49.71 H new ATOM 0 HG2 GLU B 55 59.136 82.018 60.029 1.00 51.13 H new ATOM 0 HG3 GLU B 55 58.438 82.808 61.179 1.00 51.13 H new ATOM 853 N ASN B 56 58.682 85.118 61.018 1.00 50.86 N ATOM 854 CA ASN B 56 58.761 86.148 62.048 1.00 52.04 C ATOM 855 C ASN B 56 60.159 86.751 62.075 1.00 52.07 C ATOM 856 O ASN B 56 60.364 87.846 62.603 1.00 53.08 O ATOM 857 CB ASN B 56 58.427 85.560 63.422 1.00 52.70 C ATOM 858 CG ASN B 56 56.995 85.065 63.512 1.00 53.33 C ATOM 859 OD1 ASN B 56 56.047 85.823 63.289 1.00 53.80 O ATOM 860 ND2 ASN B 56 56.829 83.789 63.843 1.00 53.22 N ATOM 0 H ASN B 56 58.894 84.328 61.285 1.00 50.86 H new ATOM 0 HA ASN B 56 58.116 86.841 61.839 1.00 52.04 H new ATOM 0 HB2 ASN B 56 59.032 84.826 63.612 1.00 52.70 H new ATOM 0 HB3 ASN B 56 58.576 86.234 64.104 1.00 52.70 H new ATOM 0 HD21 ASN B 56 56.037 83.461 63.909 1.00 53.22 H new ATOM 0 HD22 ASN B 56 57.514 83.291 63.991 1.00 53.22 H new ATOM 861 N LEU B 57 61.119 86.031 61.503 1.00 51.73 N ATOM 862 CA LEU B 57 62.496 86.504 61.461 1.00 51.69 C ATOM 863 C LEU B 57 62.871 87.016 60.076 1.00 51.96 C ATOM 864 O LEU B 57 62.792 86.284 59.088 1.00 51.67 O ATOM 865 CB LEU B 57 63.466 85.389 61.875 1.00 50.91 C ATOM 866 CG LEU B 57 63.555 84.122 61.016 1.00 50.33 C ATOM 867 CD1 LEU B 57 64.837 83.380 61.362 1.00 49.79 C ATOM 868 CD2 LEU B 57 62.334 83.238 61.241 1.00 49.38 C ATOM 0 H LEU B 57 60.992 85.265 61.133 1.00 51.73 H new ATOM 0 HA LEU B 57 62.565 87.240 62.089 1.00 51.69 H new ATOM 0 HB2 LEU B 57 64.355 85.776 61.919 1.00 50.91 H new ATOM 0 HB3 LEU B 57 63.231 85.116 62.776 1.00 50.91 H new ATOM 0 HG LEU B 57 63.571 84.364 60.077 1.00 50.33 H new ATOM 0 HD11 LEU B 57 64.902 82.576 60.823 1.00 49.79 H new ATOM 0 HD12 LEU B 57 65.600 83.951 61.183 1.00 49.79 H new ATOM 0 HD13 LEU B 57 64.828 83.139 62.301 1.00 49.79 H new ATOM 0 HD21 LEU B 57 62.405 82.442 60.691 1.00 49.38 H new ATOM 0 HD22 LEU B 57 62.287 82.982 62.176 1.00 49.38 H new ATOM 0 HD23 LEU B 57 61.532 83.727 60.999 1.00 49.38 H new ATOM 869 N GLU B 58 63.269 88.285 60.023 1.00 52.92 N ATOM 870 CA GLU B 58 63.683 88.940 58.784 1.00 53.38 C ATOM 871 C GLU B 58 62.568 89.116 57.749 1.00 53.44 C ATOM 872 O GLU B 58 62.841 89.314 56.564 1.00 52.97 O ATOM 873 CB GLU B 58 64.858 88.177 58.161 1.00 53.62 C ATOM 874 CG GLU B 58 65.996 87.910 59.138 1.00 54.24 C ATOM 875 CD GLU B 58 66.480 89.171 59.835 1.00 55.53 C ATOM 876 OE1 GLU B 58 67.032 90.061 59.151 1.00 56.48 O ATOM 877 OE2 GLU B 58 66.303 89.273 61.068 1.00 56.02 O ATOM 0 H GLU B 58 63.307 88.796 60.714 1.00 52.92 H new ATOM 0 HA GLU B 58 63.948 89.838 59.037 1.00 53.38 H new ATOM 0 HB2 GLU B 58 64.536 87.331 57.812 1.00 53.62 H new ATOM 0 HB3 GLU B 58 65.200 88.683 57.408 1.00 53.62 H new ATOM 0 HG2 GLU B 58 65.701 87.270 59.804 1.00 54.24 H new ATOM 0 HG3 GLU B 58 66.737 87.504 58.662 1.00 54.24 H new ATOM 878 N HIS B 59 61.318 89.049 58.200 1.00 53.85 N ATOM 879 CA HIS B 59 60.164 89.220 57.318 1.00 54.27 C ATOM 880 C HIS B 59 60.120 88.194 56.185 1.00 54.38 C ATOM 881 O HIS B 59 59.176 87.373 56.176 1.00 54.19 O ATOM 882 CB HIS B 59 60.171 90.639 56.734 1.00 54.24 C ATOM 883 CG HIS B 59 59.000 90.942 55.850 1.00 54.60 C ATOM 884 ND1 HIS B 59 58.793 90.311 54.643 1.00 54.50 N ATOM 885 CD2 HIS B 59 57.976 91.816 55.998 1.00 53.99 C ATOM 886 CE1 HIS B 59 57.693 90.782 54.084 1.00 54.30 C ATOM 887 NE2 HIS B 59 57.177 91.697 54.886 1.00 54.70 N ATOM 0 H HIS B 59 61.114 88.904 59.023 1.00 53.85 H new ATOM 0 HA HIS B 59 59.370 89.078 57.856 1.00 54.27 H new ATOM 0 HB2 HIS B 59 60.188 91.278 57.463 1.00 54.24 H new ATOM 0 HB3 HIS B 59 60.988 90.766 56.227 1.00 54.24 H new ATOM 0 HD2 HIS B 59 57.839 92.389 56.717 1.00 53.99 H new ATOM 0 HE1 HIS B 59 57.341 90.515 53.265 1.00 54.30 H new ATOM 0 HE2 HIS B 59 56.458 92.145 54.736 1.00 54.70 H new TER 888 HIS B 59 ATOM 889 N GLY C 3 48.784 49.732 27.445 1.00 38.41 N ATOM 890 CA GLY C 3 48.411 48.486 28.167 1.00 37.43 C ATOM 891 C GLY C 3 47.034 47.992 27.768 1.00 36.03 C ATOM 892 O GLY C 3 46.356 48.636 26.966 1.00 37.13 O ATOM 0 HA2 GLY C 3 49.068 47.797 27.982 1.00 37.43 H new ATOM 0 HA3 GLY C 3 48.432 48.648 29.123 1.00 37.43 H new ATOM 893 N PRO C 4 46.589 46.848 28.309 1.00 34.21 N ATOM 894 CA PRO C 4 45.266 46.333 27.954 1.00 31.65 C ATOM 895 C PRO C 4 44.162 47.251 28.462 1.00 28.43 C ATOM 896 O PRO C 4 44.397 48.128 29.296 1.00 28.01 O ATOM 897 CB PRO C 4 45.243 44.964 28.624 1.00 32.28 C ATOM 898 CG PRO C 4 46.056 45.199 29.858 1.00 33.87 C ATOM 899 CD PRO C 4 47.231 45.989 29.319 1.00 34.58 C ATOM 0 HA PRO C 4 45.112 46.280 26.998 1.00 31.65 H new ATOM 0 HB2 PRO C 4 44.340 44.679 28.834 1.00 32.28 H new ATOM 0 HB3 PRO C 4 45.632 44.278 28.059 1.00 32.28 H new ATOM 0 HG2 PRO C 4 45.562 45.696 30.529 1.00 33.87 H new ATOM 0 HG3 PRO C 4 46.337 44.367 30.271 1.00 33.87 H new ATOM 0 HD2 PRO C 4 47.667 46.508 30.012 1.00 34.58 H new ATOM 0 HD3 PRO C 4 47.907 45.413 28.928 1.00 34.58 H new ATOM 900 N ASN C 5 42.957 47.043 27.953 1.00 24.66 N ATOM 901 CA ASN C 5 41.821 47.855 28.349 1.00 22.66 C ATOM 902 C ASN C 5 41.050 47.184 29.480 1.00 19.83 C ATOM 903 O ASN C 5 41.004 45.956 29.575 1.00 18.04 O ATOM 904 CB ASN C 5 40.922 48.082 27.135 1.00 24.66 C ATOM 905 CG ASN C 5 41.635 48.843 26.030 1.00 26.89 C ATOM 906 OD1 ASN C 5 42.781 49.434 26.364 1.00 28.61 O flip ATOM 907 ND2 ASN C 5 41.166 48.905 24.901 1.00 27.70 N flip ATOM 0 H ASN C 5 42.776 46.433 27.374 1.00 24.66 H new ATOM 0 HA ASN C 5 42.135 48.712 28.677 1.00 22.66 H new ATOM 0 HB2 ASN C 5 40.620 47.226 26.793 1.00 24.66 H new ATOM 0 HB3 ASN C 5 40.132 48.574 27.407 1.00 24.66 H new ATOM 0 HD21 ASN C 5 40.423 48.510 24.722 1.00 27.70 H new ATOM 0 HD22 ASN C 5 41.579 49.343 24.287 1.00 27.70 H new ATOM 908 N TYR C 6 40.462 47.997 30.348 1.00 16.78 N ATOM 909 CA TYR C 6 39.690 47.484 31.471 1.00 16.21 C ATOM 910 C TYR C 6 38.306 48.104 31.470 1.00 15.79 C ATOM 911 O TYR C 6 38.084 49.148 30.864 1.00 16.76 O ATOM 912 CB TYR C 6 40.372 47.824 32.798 1.00 16.74 C ATOM 913 CG TYR C 6 41.638 47.056 33.079 1.00 18.57 C ATOM 914 CD1 TYR C 6 41.654 46.021 34.011 1.00 19.92 C ATOM 915 CD2 TYR C 6 42.825 47.363 32.414 1.00 19.85 C ATOM 916 CE1 TYR C 6 42.824 45.307 34.277 1.00 24.15 C ATOM 917 CE2 TYR C 6 44.002 46.653 32.670 1.00 22.20 C ATOM 918 CZ TYR C 6 43.993 45.629 33.603 1.00 22.71 C ATOM 919 OH TYR C 6 45.143 44.926 33.865 1.00 25.54 O ATOM 0 H TYR C 6 40.498 48.855 30.304 1.00 16.78 H new ATOM 0 HA TYR C 6 39.628 46.520 31.378 1.00 16.21 H new ATOM 0 HB2 TYR C 6 40.576 48.772 32.808 1.00 16.74 H new ATOM 0 HB3 TYR C 6 39.744 47.662 33.520 1.00 16.74 H new ATOM 0 HD1 TYR C 6 40.872 45.802 34.464 1.00 19.92 H new ATOM 0 HD2 TYR C 6 42.834 48.052 31.789 1.00 19.85 H new ATOM 0 HE1 TYR C 6 42.820 44.619 34.903 1.00 24.15 H new ATOM 0 HE2 TYR C 6 44.786 46.867 32.217 1.00 22.20 H new ATOM 0 HH TYR C 6 44.946 44.141 34.092 1.00 25.54 H new ATOM 920 N VAL C 7 37.372 47.451 32.150 1.00 15.96 N ATOM 921 CA VAL C 7 36.019 47.973 32.262 1.00 16.72 C ATOM 922 C VAL C 7 35.683 48.088 33.740 1.00 17.01 C ATOM 923 O VAL C 7 35.769 47.105 34.482 1.00 18.28 O ATOM 924 CB VAL C 7 34.977 47.059 31.556 1.00 18.91 C ATOM 925 CG1 VAL C 7 35.107 45.631 32.048 1.00 20.46 C ATOM 926 CG2 VAL C 7 33.564 47.580 31.823 1.00 19.21 C ATOM 0 H VAL C 7 37.502 46.703 32.554 1.00 15.96 H new ATOM 0 HA VAL C 7 35.980 48.837 31.824 1.00 16.72 H new ATOM 0 HB VAL C 7 35.146 47.073 30.601 1.00 18.91 H new ATOM 0 HG11 VAL C 7 34.452 45.073 31.600 1.00 20.46 H new ATOM 0 HG12 VAL C 7 35.998 45.302 31.854 1.00 20.46 H new ATOM 0 HG13 VAL C 7 34.954 45.603 33.005 1.00 20.46 H new ATOM 0 HG21 VAL C 7 32.919 47.007 31.381 1.00 19.21 H new ATOM 0 HG22 VAL C 7 33.394 47.581 32.778 1.00 19.21 H new ATOM 0 HG23 VAL C 7 33.482 48.484 31.480 1.00 19.21 H new HETATM 927 N MSE C 8 35.333 49.297 34.168 1.00 17.27 N HETATM 928 CA MSE C 8 34.974 49.546 35.560 1.00 17.22 C HETATM 929 C MSE C 8 33.459 49.629 35.667 1.00 17.48 C HETATM 930 O MSE C 8 32.815 50.349 34.903 1.00 16.64 O HETATM 931 CB MSE C 8 35.566 50.871 36.059 1.00 17.38 C HETATM 932 CG MSE C 8 37.081 50.994 35.963 1.00 22.32 C HETATM 933 SE MSE C 8 37.698 52.693 36.685 1.00 30.73 SE HETATM 934 CE MSE C 8 37.001 53.875 35.308 1.00 20.03 C HETATM 0 H MSE C 8 35.297 49.992 33.663 1.00 17.27 H new HETATM 0 HA MSE C 8 35.327 48.822 36.101 1.00 17.22 H new HETATM 0 HB2 MSE C 8 35.166 51.596 35.553 1.00 17.38 H new HETATM 0 HB3 MSE C 8 35.306 50.994 36.985 1.00 17.38 H new HETATM 0 HG2 MSE C 8 37.498 50.264 36.446 1.00 22.32 H new HETATM 0 HG3 MSE C 8 37.356 50.915 35.036 1.00 22.32 H new HETATM 0 HE1 MSE C 8 37.229 54.793 35.523 1.00 20.03 H new HETATM 0 HE2 MSE C 8 37.389 53.638 34.451 1.00 20.03 H new HETATM 0 HE3 MSE C 8 36.036 53.785 35.262 1.00 20.03 H new ATOM 935 N HIS C 9 32.897 48.884 36.611 1.00 16.55 N ATOM 936 CA HIS C 9 31.461 48.893 36.841 1.00 19.06 C ATOM 937 C HIS C 9 31.255 49.755 38.070 1.00 17.48 C ATOM 938 O HIS C 9 31.745 49.424 39.147 1.00 17.60 O ATOM 939 CB HIS C 9 30.948 47.472 37.091 1.00 21.23 C ATOM 940 CG HIS C 9 31.043 46.581 35.891 1.00 26.40 C ATOM 941 ND1 HIS C 9 30.401 46.863 34.704 1.00 28.60 N ATOM 942 CD2 HIS C 9 31.717 45.425 35.691 1.00 28.49 C ATOM 943 CE1 HIS C 9 30.676 45.916 33.823 1.00 28.63 C ATOM 944 NE2 HIS C 9 31.472 45.032 34.397 1.00 28.99 N ATOM 0 H HIS C 9 33.336 48.361 37.134 1.00 16.55 H new ATOM 0 HA HIS C 9 30.976 49.236 36.074 1.00 19.06 H new ATOM 0 HB2 HIS C 9 31.453 47.077 37.819 1.00 21.23 H new ATOM 0 HB3 HIS C 9 30.023 47.516 37.379 1.00 21.23 H new ATOM 0 HD2 HIS C 9 32.247 44.980 36.312 1.00 28.49 H new ATOM 0 HE1 HIS C 9 30.362 45.879 32.948 1.00 28.63 H new ATOM 0 HE2 HIS C 9 31.786 44.325 34.022 1.00 28.99 H new ATOM 945 N THR C 10 30.550 50.867 37.901 1.00 17.34 N ATOM 946 CA THR C 10 30.308 51.785 39.006 1.00 17.71 C ATOM 947 C THR C 10 29.092 51.385 39.828 1.00 19.92 C ATOM 948 O THR C 10 28.320 50.507 39.439 1.00 17.95 O ATOM 949 CB THR C 10 30.093 53.226 38.504 1.00 17.25 C ATOM 950 OG1 THR C 10 28.854 53.308 37.785 1.00 16.54 O ATOM 951 CG2 THR C 10 31.241 53.646 37.583 1.00 17.10 C ATOM 0 H THR C 10 30.202 51.109 37.152 1.00 17.34 H new ATOM 0 HA THR C 10 31.100 51.742 39.564 1.00 17.71 H new ATOM 0 HB THR C 10 30.067 53.821 39.270 1.00 17.25 H new ATOM 0 HG1 THR C 10 28.544 54.086 37.849 1.00 16.54 H new ATOM 0 HG21 THR C 10 31.093 54.554 37.275 1.00 17.10 H new ATOM 0 HG22 THR C 10 32.079 53.603 38.070 1.00 17.10 H new ATOM 0 HG23 THR C 10 31.279 53.048 36.820 1.00 17.10 H new ATOM 952 N ASN C 11 28.933 52.031 40.975 1.00 19.47 N ATOM 953 CA ASN C 11 27.799 51.755 41.834 1.00 23.10 C ATOM 954 C ASN C 11 26.555 52.357 41.197 1.00 25.33 C ATOM 955 O ASN C 11 25.455 51.828 41.353 1.00 26.74 O ATOM 956 CB ASN C 11 28.029 52.360 43.215 1.00 21.73 C ATOM 957 CG ASN C 11 28.936 51.511 44.073 1.00 21.69 C ATOM 958 OD1 ASN C 11 28.906 50.205 43.848 1.00 24.46 O flip ATOM 959 ND2 ASN C 11 29.648 52.020 44.937 1.00 18.86 N flip ATOM 0 H ASN C 11 29.472 52.632 41.272 1.00 19.47 H new ATOM 0 HA ASN C 11 27.686 50.797 41.937 1.00 23.10 H new ATOM 0 HB2 ASN C 11 28.415 53.244 43.117 1.00 21.73 H new ATOM 0 HB3 ASN C 11 27.176 52.471 43.663 1.00 21.73 H new ATOM 0 HD21 ASN C 11 29.640 52.872 45.053 1.00 18.86 H new ATOM 0 HD22 ASN C 11 30.154 51.524 45.425 1.00 18.86 H new ATOM 960 N ASP C 12 26.741 53.452 40.464 1.00 26.80 N ATOM 961 CA ASP C 12 25.626 54.122 39.807 1.00 29.50 C ATOM 962 C ASP C 12 25.265 53.515 38.453 1.00 29.42 C ATOM 963 O ASP C 12 24.805 54.215 37.551 1.00 30.71 O ATOM 964 CB ASP C 12 25.910 55.626 39.662 1.00 31.71 C ATOM 965 CG ASP C 12 27.211 55.918 38.933 1.00 34.47 C ATOM 966 OD1 ASP C 12 27.394 55.410 37.807 1.00 35.84 O ATOM 967 OD2 ASP C 12 28.050 56.666 39.486 1.00 34.78 O ATOM 0 H ASP C 12 27.507 53.822 40.335 1.00 26.80 H new ATOM 0 HA ASP C 12 24.855 53.991 40.380 1.00 29.50 H new ATOM 0 HB2 ASP C 12 25.177 56.044 39.184 1.00 31.71 H new ATOM 0 HB3 ASP C 12 25.941 56.030 40.543 1.00 31.71 H new ATOM 968 N GLY C 13 25.484 52.209 38.324 1.00 28.75 N ATOM 969 CA GLY C 13 25.147 51.491 37.105 1.00 28.90 C ATOM 970 C GLY C 13 25.771 51.895 35.780 1.00 28.91 C ATOM 971 O GLY C 13 25.081 51.937 34.760 1.00 29.84 O ATOM 0 H GLY C 13 25.831 51.718 38.939 1.00 28.75 H new ATOM 0 HA2 GLY C 13 25.365 50.557 37.252 1.00 28.90 H new ATOM 0 HA3 GLY C 13 24.184 51.544 36.997 1.00 28.90 H new ATOM 972 N ARG C 14 27.067 52.183 35.776 1.00 25.22 N ATOM 973 CA ARG C 14 27.745 52.555 34.539 1.00 23.46 C ATOM 974 C ARG C 14 28.856 51.566 34.199 1.00 21.29 C ATOM 975 O ARG C 14 29.382 50.886 35.076 1.00 19.94 O ATOM 976 CB ARG C 14 28.351 53.958 34.647 1.00 24.30 C ATOM 977 CG ARG C 14 27.360 55.103 34.596 1.00 24.98 C ATOM 978 CD ARG C 14 28.098 56.437 34.622 1.00 28.13 C ATOM 979 NE ARG C 14 28.814 56.626 35.881 1.00 28.86 N ATOM 980 CZ ARG C 14 29.770 57.529 36.078 1.00 29.54 C ATOM 981 NH1 ARG C 14 30.144 58.339 35.094 1.00 28.95 N ATOM 982 NH2 ARG C 14 30.353 57.623 37.266 1.00 31.64 N ATOM 0 H ARG C 14 27.570 52.169 36.473 1.00 25.22 H new ATOM 0 HA ARG C 14 27.078 52.542 33.835 1.00 23.46 H new ATOM 0 HB2 ARG C 14 28.846 54.016 35.479 1.00 24.30 H new ATOM 0 HB3 ARG C 14 28.991 54.073 33.927 1.00 24.30 H new ATOM 0 HG2 ARG C 14 26.822 55.039 33.791 1.00 24.98 H new ATOM 0 HG3 ARG C 14 26.752 55.047 35.349 1.00 24.98 H new ATOM 0 HD2 ARG C 14 28.725 56.476 33.883 1.00 28.13 H new ATOM 0 HD3 ARG C 14 27.465 57.161 34.496 1.00 28.13 H new ATOM 0 HE ARG C 14 28.602 56.117 36.541 1.00 28.86 H new ATOM 0 HH11 ARG C 14 29.767 58.282 34.323 1.00 28.95 H new ATOM 0 HH12 ARG C 14 30.763 58.921 35.228 1.00 28.95 H new ATOM 0 HH21 ARG C 14 30.112 57.101 37.906 1.00 31.64 H new ATOM 0 HH22 ARG C 14 30.972 58.206 37.396 1.00 31.64 H new ATOM 983 N SER C 15 29.196 51.481 32.917 1.00 20.28 N ATOM 984 CA SER C 15 30.269 50.612 32.451 1.00 18.89 C ATOM 985 C SER C 15 31.250 51.508 31.716 1.00 20.41 C ATOM 986 O SER C 15 31.007 51.909 30.580 1.00 18.66 O ATOM 987 CB SER C 15 29.740 49.534 31.504 1.00 20.33 C ATOM 988 OG SER C 15 29.146 48.471 32.227 1.00 21.02 O ATOM 0 H SER C 15 28.809 51.927 32.292 1.00 20.28 H new ATOM 0 HA SER C 15 30.685 50.153 33.198 1.00 18.89 H new ATOM 0 HB2 SER C 15 29.089 49.922 30.899 1.00 20.33 H new ATOM 0 HB3 SER C 15 30.466 49.193 30.959 1.00 20.33 H new ATOM 0 HG SER C 15 29.641 48.259 32.872 1.00 21.02 H new ATOM 989 N ILE C 16 32.354 51.830 32.381 1.00 18.80 N ATOM 990 CA ILE C 16 33.373 52.699 31.817 1.00 18.09 C ATOM 991 C ILE C 16 34.588 51.901 31.360 1.00 19.01 C ATOM 992 O ILE C 16 35.188 51.174 32.149 1.00 18.21 O ATOM 993 CB ILE C 16 33.834 53.730 32.860 1.00 18.69 C ATOM 994 CG1 ILE C 16 32.620 54.473 33.421 1.00 19.83 C ATOM 995 CG2 ILE C 16 34.808 54.702 32.232 1.00 18.65 C ATOM 996 CD1 ILE C 16 32.937 55.409 34.571 1.00 20.48 C ATOM 0 H ILE C 16 32.532 51.549 33.174 1.00 18.80 H new ATOM 0 HA ILE C 16 32.978 53.148 31.053 1.00 18.09 H new ATOM 0 HB ILE C 16 34.284 53.272 33.587 1.00 18.69 H new ATOM 0 HG12 ILE C 16 32.208 54.984 32.706 1.00 19.83 H new ATOM 0 HG13 ILE C 16 31.965 53.822 33.719 1.00 19.83 H new ATOM 0 HG21 ILE C 16 35.094 55.349 32.896 1.00 18.65 H new ATOM 0 HG22 ILE C 16 35.580 54.218 31.900 1.00 18.65 H new ATOM 0 HG23 ILE C 16 34.376 55.164 31.497 1.00 18.65 H new ATOM 0 HD11 ILE C 16 32.122 55.841 34.871 1.00 20.48 H new ATOM 0 HD12 ILE C 16 33.323 54.903 35.303 1.00 20.48 H new ATOM 0 HD13 ILE C 16 33.569 56.082 34.275 1.00 20.48 H new ATOM 997 N VAL C 17 34.948 52.035 30.086 1.00 17.50 N ATOM 998 CA VAL C 17 36.109 51.332 29.551 1.00 19.69 C ATOM 999 C VAL C 17 37.329 52.232 29.721 1.00 18.40 C ATOM 1000 O VAL C 17 37.223 53.453 29.623 1.00 21.17 O ATOM 1001 CB VAL C 17 35.925 51.000 28.055 1.00 20.08 C ATOM 1002 CG1 VAL C 17 35.725 52.285 27.264 1.00 22.89 C ATOM 1003 CG2 VAL C 17 37.129 50.233 27.532 1.00 20.09 C ATOM 0 H VAL C 17 34.533 52.528 29.516 1.00 17.50 H new ATOM 0 HA VAL C 17 36.222 50.496 30.030 1.00 19.69 H new ATOM 0 HB VAL C 17 35.139 50.441 27.949 1.00 20.08 H new ATOM 0 HG11 VAL C 17 35.610 52.072 26.325 1.00 22.89 H new ATOM 0 HG12 VAL C 17 34.936 52.746 27.590 1.00 22.89 H new ATOM 0 HG13 VAL C 17 36.501 52.856 27.373 1.00 22.89 H new ATOM 0 HG21 VAL C 17 37.001 50.031 26.592 1.00 20.09 H new ATOM 0 HG22 VAL C 17 37.928 50.772 27.640 1.00 20.09 H new ATOM 0 HG23 VAL C 17 37.227 49.406 28.030 1.00 20.09 H new ATOM 1004 N THR C 18 38.485 51.642 29.993 1.00 17.81 N ATOM 1005 CA THR C 18 39.690 52.442 30.171 1.00 18.26 C ATOM 1006 C THR C 18 40.788 52.057 29.185 1.00 19.51 C ATOM 1007 O THR C 18 40.907 50.901 28.781 1.00 21.81 O ATOM 1008 CB THR C 18 40.257 52.303 31.606 1.00 18.23 C ATOM 1009 OG1 THR C 18 40.797 50.986 31.782 1.00 19.79 O ATOM 1010 CG2 THR C 18 39.163 52.533 32.637 1.00 16.27 C ATOM 0 H THR C 18 38.594 50.793 30.078 1.00 17.81 H new ATOM 0 HA THR C 18 39.423 53.360 30.009 1.00 18.26 H new ATOM 0 HB THR C 18 40.953 52.968 31.729 1.00 18.23 H new ATOM 0 HG1 THR C 18 41.636 51.023 31.772 1.00 19.79 H new ATOM 0 HG21 THR C 18 39.534 52.442 33.529 1.00 16.27 H new ATOM 0 HG22 THR C 18 38.798 53.425 32.528 1.00 16.27 H new ATOM 0 HG23 THR C 18 38.458 51.878 32.513 1.00 16.27 H new ATOM 1011 N ASP C 19 41.582 53.047 28.801 1.00 19.21 N ATOM 1012 CA ASP C 19 42.702 52.851 27.891 1.00 19.35 C ATOM 1013 C ASP C 19 43.912 52.616 28.797 1.00 18.78 C ATOM 1014 O ASP C 19 44.605 53.561 29.163 1.00 19.16 O ATOM 1015 CB ASP C 19 42.906 54.118 27.057 1.00 19.88 C ATOM 1016 CG ASP C 19 44.103 54.029 26.133 1.00 24.00 C ATOM 1017 OD1 ASP C 19 44.490 55.077 25.573 1.00 26.98 O ATOM 1018 OD2 ASP C 19 44.652 52.921 25.957 1.00 24.14 O ATOM 0 H ASP C 19 41.485 53.860 29.064 1.00 19.21 H new ATOM 0 HA ASP C 19 42.560 52.113 27.278 1.00 19.35 H new ATOM 0 HB2 ASP C 19 42.109 54.285 26.531 1.00 19.88 H new ATOM 0 HB3 ASP C 19 43.018 54.876 27.651 1.00 19.88 H new ATOM 1019 N GLY C 20 44.148 51.361 29.169 1.00 18.05 N ATOM 1020 CA GLY C 20 45.258 51.040 30.055 1.00 17.28 C ATOM 1021 C GLY C 20 44.731 50.774 31.461 1.00 15.74 C ATOM 1022 O GLY C 20 43.588 51.108 31.754 1.00 13.56 O ATOM 0 H GLY C 20 43.679 50.685 28.920 1.00 18.05 H new ATOM 0 HA2 GLY C 20 45.732 50.261 29.725 1.00 17.28 H new ATOM 0 HA3 GLY C 20 45.893 51.773 30.071 1.00 17.28 H new ATOM 1023 N LYS C 21 45.544 50.181 32.332 1.00 15.84 N ATOM 1024 CA LYS C 21 45.098 49.894 33.691 1.00 15.23 C ATOM 1025 C LYS C 21 44.993 51.163 34.532 1.00 16.11 C ATOM 1026 O LYS C 21 45.919 51.975 34.574 1.00 15.15 O ATOM 1027 CB LYS C 21 46.049 48.916 34.387 1.00 15.23 C ATOM 1028 CG LYS C 21 45.539 48.465 35.758 1.00 15.67 C ATOM 1029 CD LYS C 21 46.519 47.550 36.477 1.00 16.79 C ATOM 1030 CE LYS C 21 45.969 47.123 37.836 1.00 14.06 C ATOM 1031 NZ LYS C 21 46.910 46.237 38.578 1.00 18.08 N ATOM 0 H LYS C 21 46.351 49.939 32.157 1.00 15.84 H new ATOM 0 HA LYS C 21 44.218 49.494 33.615 1.00 15.23 H new ATOM 0 HB2 LYS C 21 46.176 48.138 33.822 1.00 15.23 H new ATOM 0 HB3 LYS C 21 46.917 49.335 34.492 1.00 15.23 H new ATOM 0 HG2 LYS C 21 45.368 49.245 36.308 1.00 15.67 H new ATOM 0 HG3 LYS C 21 44.693 48.004 35.648 1.00 15.67 H new ATOM 0 HD2 LYS C 21 46.693 46.766 35.934 1.00 16.79 H new ATOM 0 HD3 LYS C 21 47.366 48.007 36.596 1.00 16.79 H new ATOM 0 HE2 LYS C 21 45.783 47.912 38.369 1.00 14.06 H new ATOM 0 HE3 LYS C 21 45.125 46.661 37.710 1.00 14.06 H new ATOM 0 HZ1 LYS C 21 46.499 45.896 39.290 1.00 18.08 H new ATOM 0 HZ2 LYS C 21 47.177 45.576 38.046 1.00 18.08 H new ATOM 0 HZ3 LYS C 21 47.617 46.709 38.842 1.00 18.08 H new ATOM 1032 N PRO C 22 43.856 51.350 35.219 1.00 14.37 N ATOM 1033 CA PRO C 22 43.684 52.544 36.052 1.00 13.84 C ATOM 1034 C PRO C 22 44.644 52.511 37.235 1.00 13.57 C ATOM 1035 O PRO C 22 45.178 51.460 37.573 1.00 14.01 O ATOM 1036 CB PRO C 22 42.233 52.439 36.515 1.00 14.26 C ATOM 1037 CG PRO C 22 41.575 51.638 35.428 1.00 16.01 C ATOM 1038 CD PRO C 22 42.606 50.578 35.152 1.00 14.76 C ATOM 0 HA PRO C 22 43.870 53.373 35.584 1.00 13.84 H new ATOM 0 HB2 PRO C 22 42.164 51.997 37.376 1.00 14.26 H new ATOM 0 HB3 PRO C 22 41.825 53.314 36.611 1.00 14.26 H new ATOM 0 HG2 PRO C 22 40.731 51.257 35.718 1.00 16.01 H new ATOM 0 HG3 PRO C 22 41.388 52.176 34.643 1.00 16.01 H new ATOM 0 HD2 PRO C 22 42.582 49.867 35.811 1.00 14.76 H new ATOM 0 HD3 PRO C 22 42.480 50.165 34.284 1.00 14.76 H new ATOM 1039 N GLN C 23 44.855 53.659 37.866 1.00 13.73 N ATOM 1040 CA GLN C 23 45.728 53.721 39.032 1.00 15.50 C ATOM 1041 C GLN C 23 45.352 54.902 39.916 1.00 13.75 C ATOM 1042 O GLN C 23 44.833 55.916 39.441 1.00 15.11 O ATOM 1043 CB GLN C 23 47.198 53.823 38.607 1.00 16.71 C ATOM 1044 CG GLN C 23 47.597 55.155 38.011 1.00 23.99 C ATOM 1045 CD GLN C 23 49.079 55.217 37.673 1.00 28.40 C ATOM 1046 OE1 GLN C 23 49.805 54.149 37.986 1.00 32.67 O flip ATOM 1047 NE2 GLN C 23 49.564 56.212 37.138 1.00 30.87 N flip ATOM 0 H GLN C 23 44.505 54.410 37.637 1.00 13.73 H new ATOM 0 HA GLN C 23 45.613 52.903 39.540 1.00 15.50 H new ATOM 0 HB2 GLN C 23 47.758 53.649 39.380 1.00 16.71 H new ATOM 0 HB3 GLN C 23 47.383 53.125 37.959 1.00 16.71 H new ATOM 0 HG2 GLN C 23 47.077 55.316 37.208 1.00 23.99 H new ATOM 0 HG3 GLN C 23 47.380 55.864 38.636 1.00 23.99 H new ATOM 0 HE21 GLN C 23 49.064 56.886 36.949 1.00 30.87 H new ATOM 0 HE22 GLN C 23 50.403 56.234 36.952 1.00 30.87 H new ATOM 1048 N THR C 24 45.606 54.767 41.209 1.00 12.69 N ATOM 1049 CA THR C 24 45.293 55.830 42.151 1.00 11.82 C ATOM 1050 C THR C 24 46.089 57.076 41.781 1.00 9.82 C ATOM 1051 O THR C 24 47.290 57.004 41.540 1.00 10.47 O ATOM 1052 CB THR C 24 45.635 55.400 43.588 1.00 12.04 C ATOM 1053 OG1 THR C 24 44.985 54.156 43.870 1.00 12.29 O ATOM 1054 CG2 THR C 24 45.162 56.446 44.588 1.00 13.86 C ATOM 0 H THR C 24 45.960 54.067 41.562 1.00 12.69 H new ATOM 0 HA THR C 24 44.343 56.021 42.108 1.00 11.82 H new ATOM 0 HB THR C 24 46.597 55.305 43.666 1.00 12.04 H new ATOM 0 HG1 THR C 24 45.382 53.769 44.501 1.00 12.29 H new ATOM 0 HG21 THR C 24 45.386 56.159 45.487 1.00 13.86 H new ATOM 0 HG22 THR C 24 45.598 57.292 44.402 1.00 13.86 H new ATOM 0 HG23 THR C 24 44.201 56.554 44.513 1.00 13.86 H new ATOM 1055 N ASP C 25 45.413 58.217 41.717 1.00 9.74 N ATOM 1056 CA ASP C 25 46.074 59.471 41.370 1.00 8.79 C ATOM 1057 C ASP C 25 47.014 59.866 42.523 1.00 8.99 C ATOM 1058 O ASP C 25 46.610 59.868 43.684 1.00 8.07 O ATOM 1059 CB ASP C 25 45.019 60.549 41.142 1.00 9.59 C ATOM 1060 CG ASP C 25 45.612 61.863 40.677 1.00 11.28 C ATOM 1061 OD1 ASP C 25 45.660 62.103 39.450 1.00 12.51 O ATOM 1062 OD2 ASP C 25 46.034 62.652 41.544 1.00 12.54 O ATOM 0 H ASP C 25 44.570 58.288 41.871 1.00 9.74 H new ATOM 0 HA ASP C 25 46.593 59.370 40.556 1.00 8.79 H new ATOM 0 HB2 ASP C 25 44.380 60.236 40.482 1.00 9.59 H new ATOM 0 HB3 ASP C 25 44.528 60.694 41.966 1.00 9.59 H new ATOM 1063 N ASN C 26 48.261 60.201 42.202 1.00 7.06 N ATOM 1064 CA ASN C 26 49.231 60.569 43.231 1.00 10.44 C ATOM 1065 C ASN C 26 48.905 61.886 43.931 1.00 9.08 C ATOM 1066 O ASN C 26 49.340 62.114 45.054 1.00 10.95 O ATOM 1067 CB ASN C 26 50.644 60.673 42.648 1.00 10.29 C ATOM 1068 CG ASN C 26 51.163 59.350 42.122 1.00 13.54 C ATOM 1069 OD1 ASN C 26 50.886 58.293 42.687 1.00 13.53 O ATOM 1070 ND2 ASN C 26 51.935 59.405 41.041 1.00 10.68 N ATOM 0 H ASN C 26 48.565 60.222 41.398 1.00 7.06 H new ATOM 0 HA ASN C 26 49.184 59.857 43.888 1.00 10.44 H new ATOM 0 HB2 ASN C 26 50.645 61.325 41.929 1.00 10.29 H new ATOM 0 HB3 ASN C 26 51.248 61.003 43.332 1.00 10.29 H new ATOM 0 HD21 ASN C 26 52.263 58.682 40.709 1.00 10.68 H new ATOM 0 HD22 ASN C 26 52.107 60.163 40.673 1.00 10.68 H new ATOM 1071 N ASP C 27 48.136 62.746 43.276 1.00 8.15 N ATOM 1072 CA ASP C 27 47.796 64.035 43.864 1.00 9.96 C ATOM 1073 C ASP C 27 46.520 64.041 44.693 1.00 11.44 C ATOM 1074 O ASP C 27 46.495 64.604 45.787 1.00 10.24 O ATOM 1075 CB ASP C 27 47.668 65.106 42.769 1.00 10.21 C ATOM 1076 CG ASP C 27 48.957 65.313 41.990 1.00 12.86 C ATOM 1077 OD1 ASP C 27 49.976 65.691 42.608 1.00 16.68 O ATOM 1078 OD2 ASP C 27 48.946 65.102 40.759 1.00 11.59 O ATOM 0 H ASP C 27 47.803 62.605 42.496 1.00 8.15 H new ATOM 0 HA ASP C 27 48.527 64.230 44.471 1.00 9.96 H new ATOM 0 HB2 ASP C 27 46.962 64.851 42.155 1.00 10.21 H new ATOM 0 HB3 ASP C 27 47.402 65.946 43.174 1.00 10.21 H new ATOM 1079 N THR C 28 45.471 63.402 44.174 1.00 11.72 N ATOM 1080 CA THR C 28 44.165 63.403 44.832 1.00 10.79 C ATOM 1081 C THR C 28 43.710 62.158 45.576 1.00 10.70 C ATOM 1082 O THR C 28 42.871 62.249 46.479 1.00 9.14 O ATOM 1083 CB THR C 28 43.049 63.740 43.818 1.00 11.92 C ATOM 1084 OG1 THR C 28 42.904 62.656 42.893 1.00 11.31 O ATOM 1085 CG2 THR C 28 43.396 64.999 43.039 1.00 11.90 C ATOM 0 H THR C 28 45.496 62.960 43.437 1.00 11.72 H new ATOM 0 HA THR C 28 44.308 64.073 45.519 1.00 10.79 H new ATOM 0 HB THR C 28 42.223 63.883 44.306 1.00 11.92 H new ATOM 0 HG1 THR C 28 42.473 62.917 42.221 1.00 11.31 H new ATOM 0 HG21 THR C 28 42.686 65.195 42.408 1.00 11.90 H new ATOM 0 HG22 THR C 28 43.497 65.743 43.654 1.00 11.90 H new ATOM 0 HG23 THR C 28 44.227 64.863 42.558 1.00 11.90 H new ATOM 1086 N GLY C 29 44.235 60.997 45.204 1.00 9.14 N ATOM 1087 CA GLY C 29 43.806 59.777 45.859 1.00 9.22 C ATOM 1088 C GLY C 29 42.605 59.204 45.129 1.00 10.62 C ATOM 1089 O GLY C 29 42.085 58.152 45.496 1.00 10.92 O ATOM 0 H GLY C 29 44.827 60.897 44.588 1.00 9.14 H new ATOM 0 HA2 GLY C 29 44.530 59.131 45.867 1.00 9.22 H new ATOM 0 HA3 GLY C 29 43.578 59.959 46.784 1.00 9.22 H new HETATM 1090 N MSE C 30 42.146 59.914 44.103 1.00 9.58 N HETATM 1091 CA MSE C 30 41.016 59.462 43.294 1.00 9.81 C HETATM 1092 C MSE C 30 41.567 58.409 42.349 1.00 9.13 C HETATM 1093 O MSE C 30 42.787 58.239 42.249 1.00 9.11 O HETATM 1094 CB MSE C 30 40.471 60.614 42.447 1.00 12.09 C HETATM 1095 CG MSE C 30 39.946 61.798 43.243 1.00 18.74 C HETATM 1096 SE MSE C 30 38.123 61.582 43.799 1.00 26.78 SE HETATM 1097 CE MSE C 30 38.322 60.185 45.122 1.00 28.08 C HETATM 0 H MSE C 30 42.478 60.668 43.856 1.00 9.58 H new HETATM 0 HA MSE C 30 40.305 59.126 43.861 1.00 9.81 H new HETATM 0 HB2 MSE C 30 41.174 60.924 41.855 1.00 12.09 H new HETATM 0 HB3 MSE C 30 39.756 60.276 41.885 1.00 12.09 H new HETATM 0 HG2 MSE C 30 40.504 61.927 44.026 1.00 18.74 H new HETATM 0 HG3 MSE C 30 40.021 62.602 42.705 1.00 18.74 H new HETATM 0 HE1 MSE C 30 37.454 59.969 45.497 1.00 28.08 H new HETATM 0 HE2 MSE C 30 38.699 59.395 44.704 1.00 28.08 H new HETATM 0 HE3 MSE C 30 38.912 60.490 45.829 1.00 28.08 H new ATOM 1098 N ILE C 31 40.685 57.696 41.660 1.00 7.29 N ATOM 1099 CA ILE C 31 41.149 56.709 40.699 1.00 10.05 C ATOM 1100 C ILE C 31 41.346 57.435 39.379 1.00 10.03 C ATOM 1101 O ILE C 31 40.415 58.046 38.854 1.00 9.62 O ATOM 1102 CB ILE C 31 40.133 55.568 40.480 1.00 12.72 C ATOM 1103 CG1 ILE C 31 39.941 54.778 41.777 1.00 12.03 C ATOM 1104 CG2 ILE C 31 40.637 54.644 39.370 1.00 13.95 C ATOM 1105 CD1 ILE C 31 41.218 54.156 42.307 1.00 15.88 C ATOM 0 H ILE C 31 39.831 57.766 41.732 1.00 7.29 H new ATOM 0 HA ILE C 31 41.965 56.307 41.036 1.00 10.05 H new ATOM 0 HB ILE C 31 39.278 55.945 40.219 1.00 12.72 H new ATOM 0 HG12 ILE C 31 39.573 55.367 42.454 1.00 12.03 H new ATOM 0 HG13 ILE C 31 39.288 54.077 41.626 1.00 12.03 H new ATOM 0 HG21 ILE C 31 39.999 53.926 39.232 1.00 13.95 H new ATOM 0 HG22 ILE C 31 40.738 55.150 38.548 1.00 13.95 H new ATOM 0 HG23 ILE C 31 41.494 54.269 39.625 1.00 13.95 H new ATOM 0 HD11 ILE C 31 41.027 53.673 43.126 1.00 15.88 H new ATOM 0 HD12 ILE C 31 41.578 53.543 41.647 1.00 15.88 H new ATOM 0 HD13 ILE C 31 41.867 54.854 42.488 1.00 15.88 H new ATOM 1106 N SER C 32 42.565 57.374 38.856 1.00 10.10 N ATOM 1107 CA SER C 32 42.903 58.013 37.591 1.00 11.83 C ATOM 1108 C SER C 32 42.882 56.997 36.448 1.00 10.90 C ATOM 1109 O SER C 32 43.419 55.906 36.579 1.00 12.63 O ATOM 1110 CB SER C 32 44.300 58.635 37.671 1.00 13.39 C ATOM 1111 OG SER C 32 44.705 59.102 36.393 1.00 18.12 O ATOM 0 H SER C 32 43.221 56.959 39.226 1.00 10.10 H new ATOM 0 HA SER C 32 42.243 58.703 37.420 1.00 11.83 H new ATOM 0 HB2 SER C 32 44.298 59.369 38.305 1.00 13.39 H new ATOM 0 HB3 SER C 32 44.935 57.979 37.999 1.00 13.39 H new ATOM 0 HG SER C 32 45.061 58.473 35.965 1.00 18.12 H new ATOM 1112 N TYR C 33 42.253 57.356 35.336 1.00 12.73 N ATOM 1113 CA TYR C 33 42.201 56.473 34.177 1.00 13.66 C ATOM 1114 C TYR C 33 42.110 57.276 32.886 1.00 15.34 C ATOM 1115 O TYR C 33 41.740 58.448 32.900 1.00 15.87 O ATOM 1116 CB TYR C 33 41.007 55.524 34.263 1.00 14.17 C ATOM 1117 CG TYR C 33 39.662 56.207 34.154 1.00 16.42 C ATOM 1118 CD1 TYR C 33 39.112 56.894 35.235 1.00 14.11 C ATOM 1119 CD2 TYR C 33 38.936 56.160 32.966 1.00 16.66 C ATOM 1120 CE1 TYR C 33 37.858 57.519 35.133 1.00 14.79 C ATOM 1121 CE2 TYR C 33 37.691 56.777 32.851 1.00 17.18 C ATOM 1122 CZ TYR C 33 37.158 57.451 33.934 1.00 16.06 C ATOM 1123 OH TYR C 33 35.929 58.045 33.812 1.00 13.10 O ATOM 0 H TYR C 33 41.849 58.108 35.231 1.00 12.73 H new ATOM 0 HA TYR C 33 43.020 55.953 34.173 1.00 13.66 H new ATOM 0 HB2 TYR C 33 41.081 54.863 33.557 1.00 14.17 H new ATOM 0 HB3 TYR C 33 41.048 55.045 35.105 1.00 14.17 H new ATOM 0 HD1 TYR C 33 39.582 56.939 36.036 1.00 14.11 H new ATOM 0 HD2 TYR C 33 39.289 55.708 32.234 1.00 16.66 H new ATOM 0 HE1 TYR C 33 37.500 57.974 35.861 1.00 14.79 H new ATOM 0 HE2 TYR C 33 37.221 56.735 32.049 1.00 17.18 H new ATOM 0 HH TYR C 33 35.855 58.657 34.383 1.00 13.10 H new ATOM 1124 N LYS C 34 42.456 56.640 31.771 1.00 15.30 N ATOM 1125 CA LYS C 34 42.390 57.295 30.471 1.00 17.51 C ATOM 1126 C LYS C 34 41.147 56.791 29.750 1.00 17.21 C ATOM 1127 O LYS C 34 40.867 55.595 29.767 1.00 15.50 O ATOM 1128 CB LYS C 34 43.607 56.945 29.618 1.00 18.18 C ATOM 1129 CG LYS C 34 44.954 57.274 30.231 1.00 24.79 C ATOM 1130 CD LYS C 34 46.057 56.933 29.241 1.00 27.23 C ATOM 1131 CE LYS C 34 47.440 57.044 29.850 1.00 30.56 C ATOM 1132 NZ LYS C 34 48.483 56.681 28.843 1.00 32.08 N ATOM 0 H LYS C 34 42.732 55.826 31.747 1.00 15.30 H new ATOM 0 HA LYS C 34 42.365 58.255 30.604 1.00 17.51 H new ATOM 0 HB2 LYS C 34 43.582 55.995 29.422 1.00 18.18 H new ATOM 0 HB3 LYS C 34 43.533 57.411 28.771 1.00 18.18 H new ATOM 0 HG2 LYS C 34 44.994 58.215 30.463 1.00 24.79 H new ATOM 0 HG3 LYS C 34 45.077 56.774 31.053 1.00 24.79 H new ATOM 0 HD2 LYS C 34 45.924 56.030 28.911 1.00 27.23 H new ATOM 0 HD3 LYS C 34 45.995 57.526 28.476 1.00 27.23 H new ATOM 0 HE2 LYS C 34 47.589 57.949 30.167 1.00 30.56 H new ATOM 0 HE3 LYS C 34 47.508 56.459 30.621 1.00 30.56 H new ATOM 0 HZ1 LYS C 34 49.290 56.750 29.213 1.00 32.08 H new ATOM 0 HZ2 LYS C 34 48.353 55.844 28.569 1.00 32.08 H new ATOM 0 HZ3 LYS C 34 48.428 57.232 28.146 1.00 32.08 H new ATOM 1133 N ASP C 35 40.399 57.695 29.128 1.00 19.84 N ATOM 1134 CA ASP C 35 39.210 57.287 28.386 1.00 22.96 C ATOM 1135 C ASP C 35 39.654 56.796 27.014 1.00 25.12 C ATOM 1136 O ASP C 35 40.851 56.782 26.708 1.00 22.37 O ATOM 1137 CB ASP C 35 38.235 58.457 28.226 1.00 26.20 C ATOM 1138 CG ASP C 35 38.887 59.686 27.625 1.00 29.13 C ATOM 1139 OD1 ASP C 35 39.531 59.569 26.562 1.00 29.77 O ATOM 1140 OD2 ASP C 35 38.745 60.776 28.220 1.00 33.33 O ATOM 0 H ASP C 35 40.559 58.540 29.122 1.00 19.84 H new ATOM 0 HA ASP C 35 38.752 56.583 28.871 1.00 22.96 H new ATOM 0 HB2 ASP C 35 37.494 58.181 27.664 1.00 26.20 H new ATOM 0 HB3 ASP C 35 37.864 58.684 29.093 1.00 26.20 H new ATOM 1141 N ALA C 36 38.691 56.399 26.190 1.00 28.21 N ATOM 1142 CA ALA C 36 38.983 55.902 24.851 1.00 32.16 C ATOM 1143 C ALA C 36 39.911 56.845 24.085 1.00 33.72 C ATOM 1144 O ALA C 36 40.880 56.400 23.468 1.00 34.85 O ATOM 1145 CB ALA C 36 37.685 55.698 24.079 1.00 33.32 C ATOM 0 H ALA C 36 37.855 56.410 26.390 1.00 28.21 H new ATOM 0 HA ALA C 36 39.442 55.052 24.943 1.00 32.16 H new ATOM 0 HB1 ALA C 36 37.886 55.367 23.189 1.00 33.32 H new ATOM 0 HB2 ALA C 36 37.129 55.054 24.545 1.00 33.32 H new ATOM 0 HB3 ALA C 36 37.213 56.543 24.011 1.00 33.32 H new ATOM 1146 N ASN C 37 39.614 58.143 24.129 1.00 35.23 N ATOM 1147 CA ASN C 37 40.425 59.147 23.438 1.00 36.83 C ATOM 1148 C ASN C 37 41.827 59.268 24.020 1.00 36.20 C ATOM 1149 O ASN C 37 42.692 59.925 23.441 1.00 37.57 O ATOM 1150 CB ASN C 37 39.747 60.520 23.496 1.00 38.96 C ATOM 1151 CG ASN C 37 38.545 60.617 22.582 1.00 41.45 C ATOM 1152 OD1 ASN C 37 38.654 60.414 21.372 1.00 43.48 O ATOM 1153 ND2 ASN C 37 37.390 60.936 23.153 1.00 43.30 N ATOM 0 H ASN C 37 38.941 58.466 24.557 1.00 35.23 H new ATOM 0 HA ASN C 37 40.503 58.848 22.518 1.00 36.83 H new ATOM 0 HB2 ASN C 37 39.471 60.702 24.408 1.00 38.96 H new ATOM 0 HB3 ASN C 37 40.390 61.204 23.253 1.00 38.96 H new ATOM 0 HD21 ASN C 37 36.679 61.008 22.674 1.00 43.30 H new ATOM 0 HD22 ASN C 37 37.353 61.070 24.002 1.00 43.30 H new ATOM 1154 N GLY C 38 42.048 58.640 25.169 1.00 34.60 N ATOM 1155 CA GLY C 38 43.353 58.704 25.798 1.00 31.41 C ATOM 1156 C GLY C 38 43.478 59.890 26.736 1.00 29.14 C ATOM 1157 O GLY C 38 44.578 60.242 27.159 1.00 28.32 O ATOM 0 H GLY C 38 41.461 58.177 25.594 1.00 34.60 H new ATOM 0 HA2 GLY C 38 43.513 57.885 26.292 1.00 31.41 H new ATOM 0 HA3 GLY C 38 44.038 58.761 25.114 1.00 31.41 H new ATOM 1158 N ASN C 39 42.350 60.513 27.060 1.00 27.72 N ATOM 1159 CA ASN C 39 42.353 61.658 27.963 1.00 26.89 C ATOM 1160 C ASN C 39 42.147 61.188 29.398 1.00 24.90 C ATOM 1161 O ASN C 39 41.294 60.348 29.667 1.00 21.62 O ATOM 1162 CB ASN C 39 41.255 62.645 27.571 1.00 29.09 C ATOM 1163 CG ASN C 39 41.447 63.199 26.174 1.00 30.15 C ATOM 1164 OD1 ASN C 39 40.626 62.971 25.287 1.00 31.87 O ATOM 1165 ND2 ASN C 39 42.538 63.929 25.970 1.00 29.65 N ATOM 0 H ASN C 39 41.573 60.289 26.768 1.00 27.72 H new ATOM 0 HA ASN C 39 43.211 62.106 27.897 1.00 26.89 H new ATOM 0 HB2 ASN C 39 40.393 62.204 27.625 1.00 29.09 H new ATOM 0 HB3 ASN C 39 41.240 63.377 28.207 1.00 29.09 H new ATOM 0 HD21 ASN C 39 42.692 64.263 25.193 1.00 29.65 H new ATOM 0 HD22 ASN C 39 43.090 64.067 26.615 1.00 29.65 H new ATOM 1166 N LYS C 40 42.936 61.742 30.312 1.00 24.06 N ATOM 1167 CA LYS C 40 42.858 61.375 31.719 1.00 23.61 C ATOM 1168 C LYS C 40 41.575 61.835 32.408 1.00 21.31 C ATOM 1169 O LYS C 40 41.099 62.951 32.191 1.00 21.15 O ATOM 1170 CB LYS C 40 44.080 61.927 32.459 1.00 26.67 C ATOM 1171 CG LYS C 40 45.389 61.259 32.051 1.00 29.69 C ATOM 1172 CD LYS C 40 46.600 61.922 32.704 1.00 33.23 C ATOM 1173 CE LYS C 40 46.821 63.334 32.174 1.00 34.15 C ATOM 1174 NZ LYS C 40 48.047 63.954 32.757 1.00 37.79 N ATOM 0 H LYS C 40 43.529 62.339 30.134 1.00 24.06 H new ATOM 0 HA LYS C 40 42.846 60.406 31.753 1.00 23.61 H new ATOM 0 HB2 LYS C 40 44.146 62.881 32.294 1.00 26.67 H new ATOM 0 HB3 LYS C 40 43.950 61.813 33.414 1.00 26.67 H new ATOM 0 HG2 LYS C 40 45.363 60.321 32.298 1.00 29.69 H new ATOM 0 HG3 LYS C 40 45.483 61.296 31.086 1.00 29.69 H new ATOM 0 HD2 LYS C 40 46.474 61.953 33.665 1.00 33.23 H new ATOM 0 HD3 LYS C 40 47.391 61.386 32.539 1.00 33.23 H new ATOM 0 HE2 LYS C 40 46.898 63.309 31.207 1.00 34.15 H new ATOM 0 HE3 LYS C 40 46.049 63.883 32.383 1.00 34.15 H new ATOM 0 HZ1 LYS C 40 48.149 64.775 32.430 1.00 37.79 H new ATOM 0 HZ2 LYS C 40 47.966 63.996 33.642 1.00 37.79 H new ATOM 0 HZ3 LYS C 40 48.758 63.461 32.547 1.00 37.79 H new ATOM 1175 N GLN C 41 41.019 60.955 33.236 1.00 16.80 N ATOM 1176 CA GLN C 41 39.797 61.236 33.984 1.00 15.06 C ATOM 1177 C GLN C 41 40.026 60.760 35.416 1.00 13.91 C ATOM 1178 O GLN C 41 40.961 60.004 35.676 1.00 12.28 O ATOM 1179 CB GLN C 41 38.615 60.452 33.407 1.00 18.71 C ATOM 1180 CG GLN C 41 38.373 60.618 31.915 1.00 23.29 C ATOM 1181 CD GLN C 41 37.899 62.004 31.546 1.00 25.78 C ATOM 1182 OE1 GLN C 41 37.065 62.589 32.236 1.00 27.87 O ATOM 1183 NE2 GLN C 41 38.422 62.538 30.444 1.00 28.03 N ATOM 0 H GLN C 41 41.343 60.172 33.381 1.00 16.80 H new ATOM 0 HA GLN C 41 39.596 62.184 33.938 1.00 15.06 H new ATOM 0 HB2 GLN C 41 38.753 59.510 33.592 1.00 18.71 H new ATOM 0 HB3 GLN C 41 37.811 60.719 33.879 1.00 18.71 H new ATOM 0 HG2 GLN C 41 39.193 60.424 31.436 1.00 23.29 H new ATOM 0 HG3 GLN C 41 37.714 59.968 31.625 1.00 23.29 H new ATOM 0 HE21 GLN C 41 39.003 62.098 29.987 1.00 28.03 H new ATOM 0 HE22 GLN C 41 38.179 63.323 30.189 1.00 28.03 H new ATOM 1184 N GLN C 42 39.173 61.200 36.334 1.00 12.09 N ATOM 1185 CA GLN C 42 39.276 60.789 37.730 1.00 12.12 C ATOM 1186 C GLN C 42 37.912 60.445 38.294 1.00 11.75 C ATOM 1187 O GLN C 42 36.939 61.170 38.072 1.00 13.46 O ATOM 1188 CB GLN C 42 39.899 61.895 38.586 1.00 14.48 C ATOM 1189 CG GLN C 42 41.371 62.155 38.333 1.00 17.43 C ATOM 1190 CD GLN C 42 41.941 63.166 39.305 1.00 21.11 C ATOM 1191 OE1 GLN C 42 41.973 62.929 40.514 1.00 21.28 O ATOM 1192 NE2 GLN C 42 42.389 64.305 38.786 1.00 24.19 N ATOM 0 H GLN C 42 38.524 61.740 36.168 1.00 12.09 H new ATOM 0 HA GLN C 42 39.845 60.004 37.756 1.00 12.12 H new ATOM 0 HB2 GLN C 42 39.409 62.718 38.433 1.00 14.48 H new ATOM 0 HB3 GLN C 42 39.782 61.665 39.521 1.00 14.48 H new ATOM 0 HG2 GLN C 42 41.863 61.323 38.407 1.00 17.43 H new ATOM 0 HG3 GLN C 42 41.491 62.476 37.426 1.00 17.43 H new ATOM 0 HE21 GLN C 42 42.350 64.435 37.937 1.00 24.19 H new ATOM 0 HE22 GLN C 42 42.717 64.912 39.299 1.00 24.19 H new ATOM 1193 N ILE C 43 37.839 59.330 39.015 1.00 10.58 N ATOM 1194 CA ILE C 43 36.591 58.912 39.641 1.00 10.88 C ATOM 1195 C ILE C 43 36.900 58.408 41.047 1.00 11.50 C ATOM 1196 O ILE C 43 37.929 57.766 41.276 1.00 10.30 O ATOM 1197 CB ILE C 43 35.898 57.786 38.840 1.00 13.17 C ATOM 1198 CG1 ILE C 43 34.491 57.554 39.385 1.00 12.75 C ATOM 1199 CG2 ILE C 43 36.708 56.494 38.928 1.00 13.22 C ATOM 1200 CD1 ILE C 43 33.692 56.533 38.590 1.00 16.52 C ATOM 0 H ILE C 43 38.503 58.801 39.153 1.00 10.58 H new ATOM 0 HA ILE C 43 35.989 59.673 39.666 1.00 10.88 H new ATOM 0 HB ILE C 43 35.841 58.055 37.910 1.00 13.17 H new ATOM 0 HG12 ILE C 43 34.554 57.258 40.307 1.00 12.75 H new ATOM 0 HG13 ILE C 43 34.011 58.397 39.390 1.00 12.75 H new ATOM 0 HG21 ILE C 43 36.262 55.797 38.422 1.00 13.22 H new ATOM 0 HG22 ILE C 43 37.594 56.642 38.563 1.00 13.22 H new ATOM 0 HG23 ILE C 43 36.783 56.221 39.856 1.00 13.22 H new ATOM 0 HD11 ILE C 43 32.812 56.432 38.985 1.00 16.52 H new ATOM 0 HD12 ILE C 43 33.601 56.836 37.673 1.00 16.52 H new ATOM 0 HD13 ILE C 43 34.153 55.679 38.604 1.00 16.52 H new ATOM 1201 N ASN C 44 36.016 58.711 41.990 1.00 10.76 N ATOM 1202 CA ASN C 44 36.209 58.278 43.369 1.00 10.46 C ATOM 1203 C ASN C 44 36.161 56.755 43.443 1.00 9.50 C ATOM 1204 O ASN C 44 35.246 56.130 42.899 1.00 10.09 O ATOM 1205 CB ASN C 44 35.122 58.871 44.269 1.00 10.23 C ATOM 1206 CG ASN C 44 35.494 58.817 45.741 1.00 8.40 C ATOM 1207 OD1 ASN C 44 35.881 57.773 46.252 1.00 7.94 O ATOM 1208 ND2 ASN C 44 35.386 59.952 46.423 1.00 8.43 N ATOM 0 H ASN C 44 35.299 59.166 41.853 1.00 10.76 H new ATOM 0 HA ASN C 44 37.075 58.589 43.675 1.00 10.46 H new ATOM 0 HB2 ASN C 44 34.961 59.792 44.013 1.00 10.23 H new ATOM 0 HB3 ASN C 44 34.292 58.389 44.130 1.00 10.23 H new ATOM 0 HD21 ASN C 44 35.592 59.973 47.258 1.00 8.43 H new ATOM 0 HD22 ASN C 44 35.110 60.665 46.030 1.00 8.43 H new ATOM 1209 N ARG C 45 37.142 56.153 44.110 1.00 9.53 N ATOM 1210 CA ARG C 45 37.167 54.700 44.230 1.00 10.14 C ATOM 1211 C ARG C 45 35.878 54.178 44.866 1.00 10.64 C ATOM 1212 O ARG C 45 35.428 53.078 44.557 1.00 13.19 O ATOM 1213 CB ARG C 45 38.375 54.233 45.057 1.00 11.80 C ATOM 1214 CG ARG C 45 38.439 52.715 45.226 1.00 14.04 C ATOM 1215 CD ARG C 45 39.775 52.266 45.794 1.00 19.60 C ATOM 1216 NE ARG C 45 40.172 53.139 46.886 1.00 26.38 N ATOM 1217 CZ ARG C 45 41.262 53.896 46.886 1.00 23.42 C ATOM 1218 NH1 ARG C 45 42.089 53.888 45.852 1.00 24.97 N ATOM 1219 NH2 ARG C 45 41.508 54.681 47.920 1.00 26.90 N ATOM 0 H ARG C 45 37.794 56.561 44.495 1.00 9.53 H new ATOM 0 HA ARG C 45 37.243 54.339 43.333 1.00 10.14 H new ATOM 0 HB2 ARG C 45 39.190 54.540 44.630 1.00 11.80 H new ATOM 0 HB3 ARG C 45 38.340 54.649 45.933 1.00 11.80 H new ATOM 0 HG2 ARG C 45 37.724 52.425 45.813 1.00 14.04 H new ATOM 0 HG3 ARG C 45 38.292 52.288 44.368 1.00 14.04 H new ATOM 0 HD2 ARG C 45 39.709 51.351 46.109 1.00 19.60 H new ATOM 0 HD3 ARG C 45 40.451 52.278 45.098 1.00 19.60 H new ATOM 0 HE ARG C 45 39.665 53.167 47.580 1.00 26.38 H new ATOM 0 HH11 ARG C 45 41.922 53.389 45.172 1.00 24.97 H new ATOM 0 HH12 ARG C 45 42.793 54.382 45.861 1.00 24.97 H new ATOM 0 HH21 ARG C 45 40.964 54.698 48.586 1.00 26.90 H new ATOM 0 HH22 ARG C 45 42.212 55.174 47.927 1.00 26.90 H new ATOM 1220 N THR C 46 35.294 54.971 45.753 1.00 10.79 N ATOM 1221 CA THR C 46 34.059 54.588 46.433 1.00 12.46 C ATOM 1222 C THR C 46 32.939 54.314 45.429 1.00 15.69 C ATOM 1223 O THR C 46 32.005 53.556 45.714 1.00 15.08 O ATOM 1224 CB THR C 46 33.593 55.704 47.399 1.00 14.35 C ATOM 1225 OG1 THR C 46 34.609 55.940 48.384 1.00 16.34 O ATOM 1226 CG2 THR C 46 32.300 55.307 48.104 1.00 16.98 C ATOM 0 H THR C 46 35.598 55.743 45.979 1.00 10.79 H new ATOM 0 HA THR C 46 34.248 53.779 46.934 1.00 12.46 H new ATOM 0 HB THR C 46 33.434 56.509 46.882 1.00 14.35 H new ATOM 0 HG1 THR C 46 34.254 56.224 49.091 1.00 16.34 H new ATOM 0 HG21 THR C 46 32.026 56.019 48.703 1.00 16.98 H new ATOM 0 HG22 THR C 46 31.605 55.155 47.444 1.00 16.98 H new ATOM 0 HG23 THR C 46 32.445 54.494 48.613 1.00 16.98 H new ATOM 1227 N ASP C 47 33.035 54.931 44.253 1.00 13.84 N ATOM 1228 CA ASP C 47 32.022 54.758 43.220 1.00 15.94 C ATOM 1229 C ASP C 47 32.329 53.576 42.297 1.00 16.60 C ATOM 1230 O ASP C 47 31.529 53.246 41.421 1.00 16.09 O ATOM 1231 CB ASP C 47 31.880 56.058 42.415 1.00 17.26 C ATOM 1232 CG ASP C 47 30.645 56.070 41.522 1.00 24.85 C ATOM 1233 OD1 ASP C 47 29.587 55.557 41.947 1.00 23.91 O ATOM 1234 OD2 ASP C 47 30.728 56.614 40.399 1.00 25.74 O ATOM 0 H ASP C 47 33.681 55.455 44.035 1.00 13.84 H new ATOM 0 HA ASP C 47 31.181 54.556 43.658 1.00 15.94 H new ATOM 0 HB2 ASP C 47 31.838 56.809 43.027 1.00 17.26 H new ATOM 0 HB3 ASP C 47 32.671 56.182 41.867 1.00 17.26 H new ATOM 1235 N VAL C 48 33.478 52.930 42.497 1.00 15.12 N ATOM 1236 CA VAL C 48 33.842 51.785 41.669 1.00 14.99 C ATOM 1237 C VAL C 48 33.577 50.482 42.419 1.00 16.77 C ATOM 1238 O VAL C 48 34.189 50.213 43.458 1.00 18.98 O ATOM 1239 CB VAL C 48 35.336 51.820 41.257 1.00 15.48 C ATOM 1240 CG1 VAL C 48 35.616 50.731 40.231 1.00 14.59 C ATOM 1241 CG2 VAL C 48 35.693 53.184 40.690 1.00 13.16 C ATOM 0 H VAL C 48 34.054 53.137 43.101 1.00 15.12 H new ATOM 0 HA VAL C 48 33.296 51.832 40.869 1.00 14.99 H new ATOM 0 HB VAL C 48 35.883 51.660 42.042 1.00 15.48 H new ATOM 0 HG11 VAL C 48 36.552 50.758 39.977 1.00 14.59 H new ATOM 0 HG12 VAL C 48 35.410 49.864 40.615 1.00 14.59 H new ATOM 0 HG13 VAL C 48 35.064 50.876 39.446 1.00 14.59 H new ATOM 0 HG21 VAL C 48 36.629 53.194 40.436 1.00 13.16 H new ATOM 0 HG22 VAL C 48 35.145 53.364 39.910 1.00 13.16 H new ATOM 0 HG23 VAL C 48 35.533 53.866 41.361 1.00 13.16 H new ATOM 1242 N LYS C 49 32.670 49.669 41.886 1.00 16.61 N ATOM 1243 CA LYS C 49 32.314 48.398 42.512 1.00 17.24 C ATOM 1244 C LYS C 49 33.262 47.275 42.113 1.00 16.60 C ATOM 1245 O LYS C 49 33.758 46.537 42.959 1.00 14.11 O ATOM 1246 CB LYS C 49 30.881 48.016 42.132 1.00 22.20 C ATOM 1247 CG LYS C 49 30.372 46.725 42.769 1.00 26.61 C ATOM 1248 CD LYS C 49 28.941 46.433 42.328 1.00 30.94 C ATOM 1249 CE LYS C 49 28.383 45.166 42.975 1.00 33.82 C ATOM 1250 NZ LYS C 49 28.217 45.294 44.452 1.00 37.41 N ATOM 0 H LYS C 49 32.246 49.836 41.157 1.00 16.61 H new ATOM 0 HA LYS C 49 32.385 48.518 43.472 1.00 17.24 H new ATOM 0 HB2 LYS C 49 30.289 48.742 42.384 1.00 22.20 H new ATOM 0 HB3 LYS C 49 30.828 47.929 41.167 1.00 22.20 H new ATOM 0 HG2 LYS C 49 30.949 45.986 42.519 1.00 26.61 H new ATOM 0 HG3 LYS C 49 30.409 46.800 43.735 1.00 26.61 H new ATOM 0 HD2 LYS C 49 28.374 47.187 42.556 1.00 30.94 H new ATOM 0 HD3 LYS C 49 28.915 46.340 41.363 1.00 30.94 H new ATOM 0 HE2 LYS C 49 27.525 44.955 42.575 1.00 33.82 H new ATOM 0 HE3 LYS C 49 28.976 44.423 42.784 1.00 33.82 H new ATOM 0 HZ1 LYS C 49 27.864 44.545 44.777 1.00 37.41 H new ATOM 0 HZ2 LYS C 49 29.011 45.435 44.829 1.00 37.41 H new ATOM 0 HZ3 LYS C 49 27.677 45.978 44.632 1.00 37.41 H new ATOM 1251 N GLU C 50 33.510 47.142 40.817 1.00 17.49 N ATOM 1252 CA GLU C 50 34.393 46.094 40.334 1.00 18.42 C ATOM 1253 C GLU C 50 35.112 46.529 39.068 1.00 18.70 C ATOM 1254 O GLU C 50 34.738 47.514 38.436 1.00 15.63 O ATOM 1255 CB GLU C 50 33.588 44.820 40.075 1.00 22.48 C ATOM 1256 CG GLU C 50 32.292 45.051 39.314 1.00 27.51 C ATOM 1257 CD GLU C 50 31.468 43.784 39.162 1.00 30.49 C ATOM 1258 OE1 GLU C 50 31.045 43.216 40.194 1.00 30.69 O ATOM 1259 OE2 GLU C 50 31.244 43.357 38.010 1.00 32.03 O ATOM 0 H GLU C 50 33.178 47.646 40.204 1.00 17.49 H new ATOM 0 HA GLU C 50 35.063 45.917 41.013 1.00 18.42 H new ATOM 0 HB2 GLU C 50 34.139 44.197 39.576 1.00 22.48 H new ATOM 0 HB3 GLU C 50 33.383 44.400 40.925 1.00 22.48 H new ATOM 0 HG2 GLU C 50 31.765 45.722 39.776 1.00 27.51 H new ATOM 0 HG3 GLU C 50 32.496 45.407 38.435 1.00 27.51 H new HETATM 1260 N MSE C 51 36.152 45.786 38.712 1.00 18.47 N HETATM 1261 CA MSE C 51 36.937 46.087 37.527 1.00 20.65 C HETATM 1262 C MSE C 51 37.526 44.794 36.976 1.00 21.01 C HETATM 1263 O MSE C 51 37.830 43.868 37.729 1.00 18.54 O HETATM 1264 CB MSE C 51 38.064 47.049 37.896 1.00 24.84 C HETATM 1265 CG MSE C 51 38.790 47.662 36.725 1.00 31.31 C HETATM 1266 SE MSE C 51 40.340 48.647 37.329 1.00 40.86 SE HETATM 1267 CE MSE C 51 39.521 49.782 38.658 1.00 31.79 C HETATM 0 H MSE C 51 36.421 45.096 39.150 1.00 18.47 H new HETATM 0 HA MSE C 51 36.372 46.499 36.854 1.00 20.65 H new HETATM 0 HB2 MSE C 51 37.696 47.763 38.440 1.00 24.84 H new HETATM 0 HB3 MSE C 51 38.708 46.576 38.446 1.00 24.84 H new HETATM 0 HG2 MSE C 51 39.063 46.966 36.107 1.00 31.31 H new HETATM 0 HG3 MSE C 51 38.193 48.253 36.241 1.00 31.31 H new HETATM 0 HE1 MSE C 51 40.197 50.350 39.059 1.00 31.79 H new HETATM 0 HE2 MSE C 51 38.843 50.334 38.239 1.00 31.79 H new HETATM 0 HE3 MSE C 51 39.111 49.233 39.345 1.00 31.79 H new ATOM 1268 N VAL C 52 37.676 44.727 35.659 1.00 22.51 N ATOM 1269 CA VAL C 52 38.240 43.548 35.020 1.00 24.06 C ATOM 1270 C VAL C 52 38.705 43.910 33.616 1.00 24.60 C ATOM 1271 O VAL C 52 38.180 44.839 33.002 1.00 22.00 O ATOM 1272 CB VAL C 52 37.203 42.407 34.928 1.00 24.47 C ATOM 1273 CG1 VAL C 52 36.025 42.834 34.064 1.00 25.80 C ATOM 1274 CG2 VAL C 52 37.855 41.153 34.363 1.00 25.10 C ATOM 0 H VAL C 52 37.456 45.357 35.116 1.00 22.51 H new ATOM 0 HA VAL C 52 38.987 43.241 35.558 1.00 24.06 H new ATOM 0 HB VAL C 52 36.873 42.209 35.818 1.00 24.47 H new ATOM 0 HG11 VAL C 52 35.381 42.110 34.014 1.00 25.80 H new ATOM 0 HG12 VAL C 52 35.603 43.615 34.455 1.00 25.80 H new ATOM 0 HG13 VAL C 52 36.339 43.049 33.172 1.00 25.80 H new ATOM 0 HG21 VAL C 52 37.197 40.442 34.309 1.00 25.10 H new ATOM 0 HG22 VAL C 52 38.202 41.340 33.477 1.00 25.10 H new ATOM 0 HG23 VAL C 52 38.582 40.877 34.943 1.00 25.10 H new ATOM 1275 N ALA C 53 39.699 43.187 33.116 1.00 25.15 N ATOM 1276 CA ALA C 53 40.205 43.444 31.777 1.00 26.88 C ATOM 1277 C ALA C 53 39.066 43.245 30.777 1.00 29.25 C ATOM 1278 O ALA C 53 38.330 42.257 30.842 1.00 28.32 O ATOM 1279 CB ALA C 53 41.359 42.505 31.464 1.00 27.47 C ATOM 0 H ALA C 53 40.092 42.546 33.534 1.00 25.15 H new ATOM 0 HA ALA C 53 40.534 44.355 31.717 1.00 26.88 H new ATOM 0 HB1 ALA C 53 41.689 42.684 30.570 1.00 27.47 H new ATOM 0 HB2 ALA C 53 42.073 42.644 32.106 1.00 27.47 H new ATOM 0 HB3 ALA C 53 41.052 41.586 31.517 1.00 27.47 H new ATOM 1280 N LEU C 54 38.921 44.201 29.864 1.00 30.62 N ATOM 1281 CA LEU C 54 37.876 44.169 28.845 1.00 33.08 C ATOM 1282 C LEU C 54 37.893 42.876 28.035 1.00 35.21 C ATOM 1283 O LEU C 54 36.853 42.409 27.566 1.00 35.90 O ATOM 1284 CB LEU C 54 38.046 45.362 27.902 1.00 33.00 C ATOM 1285 CG LEU C 54 37.051 45.548 26.754 1.00 33.22 C ATOM 1286 CD1 LEU C 54 35.699 45.984 27.297 1.00 34.49 C ATOM 1287 CD2 LEU C 54 37.591 46.598 25.793 1.00 34.65 C ATOM 0 H LEU C 54 39.431 44.892 29.818 1.00 30.62 H new ATOM 0 HA LEU C 54 37.022 44.216 29.303 1.00 33.08 H new ATOM 0 HB2 LEU C 54 38.024 46.168 28.442 1.00 33.00 H new ATOM 0 HB3 LEU C 54 38.933 45.305 27.514 1.00 33.00 H new ATOM 0 HG LEU C 54 36.937 44.706 26.285 1.00 33.22 H new ATOM 0 HD11 LEU C 54 35.077 46.099 26.562 1.00 34.49 H new ATOM 0 HD12 LEU C 54 35.360 45.307 27.904 1.00 34.49 H new ATOM 0 HD13 LEU C 54 35.796 46.824 27.772 1.00 34.49 H new ATOM 0 HD21 LEU C 54 36.965 46.721 25.062 1.00 34.65 H new ATOM 0 HD22 LEU C 54 37.707 47.438 26.263 1.00 34.65 H new ATOM 0 HD23 LEU C 54 38.446 46.305 25.440 1.00 34.65 H new ATOM 1288 N GLU C 55 39.081 42.303 27.880 1.00 37.00 N ATOM 1289 CA GLU C 55 39.263 41.074 27.119 1.00 40.06 C ATOM 1290 C GLU C 55 38.542 39.865 27.725 1.00 41.59 C ATOM 1291 O GLU C 55 38.309 38.869 27.039 1.00 41.82 O ATOM 1292 CB GLU C 55 40.760 40.776 26.999 1.00 41.40 C ATOM 1293 CG GLU C 55 41.117 39.656 26.037 1.00 43.35 C ATOM 1294 CD GLU C 55 40.756 39.982 24.601 1.00 44.70 C ATOM 1295 OE1 GLU C 55 39.549 40.013 24.279 1.00 45.56 O ATOM 1296 OE2 GLU C 55 41.682 40.212 23.794 1.00 46.14 O ATOM 0 H GLU C 55 39.808 42.618 28.215 1.00 37.00 H new ATOM 0 HA GLU C 55 38.865 41.220 26.246 1.00 40.06 H new ATOM 0 HB2 GLU C 55 41.215 41.584 26.716 1.00 41.40 H new ATOM 0 HB3 GLU C 55 41.103 40.550 27.878 1.00 41.40 H new ATOM 0 HG2 GLU C 55 42.068 39.476 26.095 1.00 43.35 H new ATOM 0 HG3 GLU C 55 40.658 38.845 26.306 1.00 43.35 H new ATOM 1297 N ASN C 56 38.185 39.956 29.004 1.00 42.96 N ATOM 1298 CA ASN C 56 37.510 38.855 29.692 1.00 44.18 C ATOM 1299 C ASN C 56 35.986 38.966 29.789 1.00 44.51 C ATOM 1300 O ASN C 56 35.277 37.965 29.657 1.00 43.57 O ATOM 1301 CB ASN C 56 38.092 38.683 31.101 1.00 45.79 C ATOM 1302 CG ASN C 56 39.481 38.066 31.091 1.00 46.94 C ATOM 1303 OD1 ASN C 56 40.411 38.603 30.487 1.00 47.70 O ATOM 1304 ND2 ASN C 56 39.626 36.927 31.763 1.00 47.90 N ATOM 0 H ASN C 56 38.325 40.649 29.494 1.00 42.96 H new ATOM 0 HA ASN C 56 37.678 38.079 29.135 1.00 44.18 H new ATOM 0 HB2 ASN C 56 38.129 39.548 31.539 1.00 45.79 H new ATOM 0 HB3 ASN C 56 37.498 38.124 31.626 1.00 45.79 H new ATOM 0 HD21 ASN C 56 40.392 36.537 31.787 1.00 47.90 H new ATOM 0 HD22 ASN C 56 38.954 36.581 32.173 1.00 47.90 H new ATOM 1305 N LEU C 57 35.479 40.172 30.025 1.00 45.09 N ATOM 1306 CA LEU C 57 34.037 40.369 30.152 1.00 45.54 C ATOM 1307 C LEU C 57 33.274 39.885 28.924 1.00 45.97 C ATOM 1308 O LEU C 57 32.533 38.887 29.052 1.00 47.44 O ATOM 1309 CB LEU C 57 33.723 41.847 30.401 1.00 45.07 C ATOM 1310 CG LEU C 57 32.241 42.201 30.542 1.00 45.04 C ATOM 1311 CD1 LEU C 57 31.620 41.395 31.670 1.00 46.19 C ATOM 1312 CD2 LEU C 57 32.098 43.689 30.805 1.00 43.55 C ATOM 0 H LEU C 57 35.949 40.886 30.115 1.00 45.09 H new ATOM 0 HA LEU C 57 33.745 39.837 30.909 1.00 45.54 H new ATOM 0 HB2 LEU C 57 34.183 42.126 31.208 1.00 45.07 H new ATOM 0 HB3 LEU C 57 34.094 42.366 29.670 1.00 45.07 H new ATOM 0 HG LEU C 57 31.776 41.983 29.719 1.00 45.04 H new ATOM 0 HD11 LEU C 57 30.681 41.625 31.753 1.00 46.19 H new ATOM 0 HD12 LEU C 57 31.705 40.448 31.476 1.00 46.19 H new ATOM 0 HD13 LEU C 57 32.077 41.597 32.502 1.00 46.19 H new ATOM 0 HD21 LEU C 57 31.159 43.913 30.894 1.00 43.55 H new ATOM 0 HD22 LEU C 57 32.564 43.919 31.624 1.00 43.55 H new ATOM 0 HD23 LEU C 57 32.480 44.187 30.065 1.00 43.55 H new TER 1313 LEU C 57 ATOM 1314 N SER D 2 50.784 31.846 46.088 1.00 48.30 N ATOM 1315 CA SER D 2 50.025 31.966 47.367 1.00 47.83 C ATOM 1316 C SER D 2 49.976 30.622 48.095 1.00 47.20 C ATOM 1317 O SER D 2 50.988 30.161 48.627 1.00 47.44 O ATOM 1318 CB SER D 2 48.603 32.460 47.085 1.00 47.91 C ATOM 1319 OG SER D 2 47.908 32.722 48.291 1.00 47.18 O ATOM 0 HA SER D 2 50.480 32.607 47.936 1.00 47.83 H new ATOM 0 HB2 SER D 2 48.638 33.266 46.546 1.00 47.91 H new ATOM 0 HB3 SER D 2 48.122 31.794 46.569 1.00 47.91 H new ATOM 0 HG SER D 2 48.033 33.521 48.519 1.00 47.18 H new ATOM 1320 N GLY D 3 48.802 29.997 48.116 1.00 46.18 N ATOM 1321 CA GLY D 3 48.664 28.713 48.783 1.00 44.38 C ATOM 1322 C GLY D 3 47.219 28.283 48.951 1.00 43.01 C ATOM 1323 O GLY D 3 46.575 27.882 47.980 1.00 43.68 O ATOM 0 H GLY D 3 48.082 30.298 47.754 1.00 46.18 H new ATOM 0 HA2 GLY D 3 49.140 28.038 48.275 1.00 44.38 H new ATOM 0 HA3 GLY D 3 49.085 28.761 49.655 1.00 44.38 H new ATOM 1324 N PRO D 4 46.679 28.345 50.179 1.00 40.17 N ATOM 1325 CA PRO D 4 45.290 27.948 50.412 1.00 37.48 C ATOM 1326 C PRO D 4 44.320 28.915 49.744 1.00 33.85 C ATOM 1327 O PRO D 4 44.615 30.100 49.592 1.00 32.35 O ATOM 1328 CB PRO D 4 45.179 27.972 51.933 1.00 38.40 C ATOM 1329 CG PRO D 4 46.112 29.079 52.311 1.00 39.79 C ATOM 1330 CD PRO D 4 47.312 28.795 51.431 1.00 40.50 C ATOM 0 HA PRO D 4 45.065 27.082 50.037 1.00 37.48 H new ATOM 0 HB2 PRO D 4 44.271 28.149 52.226 1.00 38.40 H new ATOM 0 HB3 PRO D 4 45.444 27.126 52.327 1.00 38.40 H new ATOM 0 HG2 PRO D 4 45.730 29.953 52.133 1.00 39.79 H new ATOM 0 HG3 PRO D 4 46.340 29.056 53.254 1.00 39.79 H new ATOM 0 HD2 PRO D 4 47.859 29.585 51.297 1.00 40.50 H new ATOM 0 HD3 PRO D 4 47.887 28.113 51.812 1.00 40.50 H new ATOM 1331 N ASN D 5 43.164 28.402 49.342 1.00 30.26 N ATOM 1332 CA ASN D 5 42.156 29.224 48.693 1.00 26.65 C ATOM 1333 C ASN D 5 41.238 29.848 49.737 1.00 24.44 C ATOM 1334 O ASN D 5 41.227 29.424 50.893 1.00 22.85 O ATOM 1335 CB ASN D 5 41.354 28.374 47.711 1.00 27.28 C ATOM 1336 CG ASN D 5 42.241 27.675 46.702 1.00 28.60 C ATOM 1337 OD1 ASN D 5 43.094 28.302 46.074 1.00 27.98 O ATOM 1338 ND2 ASN D 5 42.045 26.372 46.538 1.00 29.13 N ATOM 0 H ASN D 5 42.944 27.576 49.437 1.00 30.26 H new ATOM 0 HA ASN D 5 42.592 29.939 48.203 1.00 26.65 H new ATOM 0 HB2 ASN D 5 40.842 27.713 48.202 1.00 27.28 H new ATOM 0 HB3 ASN D 5 40.717 28.937 47.244 1.00 27.28 H new ATOM 0 HD21 ASN D 5 42.524 25.933 45.975 1.00 29.13 H new ATOM 0 HD22 ASN D 5 41.439 25.967 46.995 1.00 29.13 H new ATOM 1339 N TYR D 6 40.474 30.856 49.326 1.00 20.22 N ATOM 1340 CA TYR D 6 39.567 31.549 50.235 1.00 19.43 C ATOM 1341 C TYR D 6 38.140 31.667 49.723 1.00 18.65 C ATOM 1342 O TYR D 6 37.861 31.450 48.546 1.00 19.86 O ATOM 1343 CB TYR D 6 40.071 32.967 50.511 1.00 18.78 C ATOM 1344 CG TYR D 6 41.270 33.043 51.417 1.00 17.31 C ATOM 1345 CD1 TYR D 6 42.520 32.597 50.998 1.00 18.88 C ATOM 1346 CD2 TYR D 6 41.150 33.555 52.706 1.00 19.17 C ATOM 1347 CE1 TYR D 6 43.630 32.663 51.848 1.00 20.89 C ATOM 1348 CE2 TYR D 6 42.244 33.625 53.560 1.00 20.72 C ATOM 1349 CZ TYR D 6 43.480 33.181 53.128 1.00 21.60 C ATOM 1350 OH TYR D 6 44.560 33.271 53.971 1.00 24.18 O ATOM 0 H TYR D 6 40.466 31.155 48.520 1.00 20.22 H new ATOM 0 HA TYR D 6 39.554 31.004 51.037 1.00 19.43 H new ATOM 0 HB2 TYR D 6 40.292 33.389 49.666 1.00 18.78 H new ATOM 0 HB3 TYR D 6 39.350 33.482 50.905 1.00 18.78 H new ATOM 0 HD1 TYR D 6 42.619 32.250 50.141 1.00 18.88 H new ATOM 0 HD2 TYR D 6 40.321 33.856 53.001 1.00 19.17 H new ATOM 0 HE1 TYR D 6 44.461 32.363 51.558 1.00 20.89 H new ATOM 0 HE2 TYR D 6 42.145 33.969 54.418 1.00 20.72 H new ATOM 0 HH TYR D 6 44.317 33.602 54.704 1.00 24.18 H new ATOM 1351 N VAL D 7 37.243 32.033 50.630 1.00 17.91 N ATOM 1352 CA VAL D 7 35.844 32.247 50.299 1.00 17.94 C ATOM 1353 C VAL D 7 35.494 33.641 50.803 1.00 17.47 C ATOM 1354 O VAL D 7 35.577 33.907 52.002 1.00 17.53 O ATOM 1355 CB VAL D 7 34.920 31.238 51.002 1.00 20.63 C ATOM 1356 CG1 VAL D 7 33.480 31.461 50.550 1.00 22.06 C ATOM 1357 CG2 VAL D 7 35.369 29.828 50.699 1.00 21.77 C ATOM 0 H VAL D 7 37.431 32.165 51.459 1.00 17.91 H new ATOM 0 HA VAL D 7 35.720 32.142 49.343 1.00 17.94 H new ATOM 0 HB VAL D 7 34.966 31.370 51.962 1.00 20.63 H new ATOM 0 HG11 VAL D 7 32.899 30.824 50.994 1.00 22.06 H new ATOM 0 HG12 VAL D 7 33.205 32.363 50.778 1.00 22.06 H new ATOM 0 HG13 VAL D 7 33.419 31.338 49.590 1.00 22.06 H new ATOM 0 HG21 VAL D 7 34.782 29.198 51.146 1.00 21.77 H new ATOM 0 HG22 VAL D 7 35.337 29.677 49.741 1.00 21.77 H new ATOM 0 HG23 VAL D 7 36.277 29.702 51.015 1.00 21.77 H new HETATM 1358 N MSE D 8 35.115 34.533 49.893 1.00 15.54 N HETATM 1359 CA MSE D 8 34.755 35.894 50.272 1.00 17.55 C HETATM 1360 C MSE D 8 33.243 36.055 50.326 1.00 17.72 C HETATM 1361 O MSE D 8 32.528 35.542 49.470 1.00 17.02 O HETATM 1362 CB MSE D 8 35.324 36.907 49.271 1.00 18.15 C HETATM 1363 CG MSE D 8 36.836 36.891 49.124 1.00 23.26 C HETATM 1364 SE MSE D 8 37.438 38.388 48.032 1.00 29.65 SE HETATM 1365 CE MSE D 8 36.717 37.789 46.343 1.00 23.81 C HETATM 0 H MSE D 8 35.060 34.370 49.050 1.00 15.54 H new HETATM 0 HA MSE D 8 35.131 36.061 51.150 1.00 17.55 H new HETATM 0 HB2 MSE D 8 34.927 36.739 48.402 1.00 18.15 H new HETATM 0 HB3 MSE D 8 35.049 37.797 49.542 1.00 18.15 H new HETATM 0 HG2 MSE D 8 37.251 36.936 50.000 1.00 23.26 H new HETATM 0 HG3 MSE D 8 37.117 36.056 48.719 1.00 23.26 H new HETATM 0 HE1 MSE D 8 36.928 38.437 45.653 1.00 23.81 H new HETATM 0 HE2 MSE D 8 37.106 36.931 46.111 1.00 23.81 H new HETATM 0 HE3 MSE D 8 35.754 37.698 46.416 1.00 23.81 H new ATOM 1366 N HIS D 9 32.759 36.763 51.341 1.00 17.99 N ATOM 1367 CA HIS D 9 31.328 37.009 51.485 1.00 20.77 C ATOM 1368 C HIS D 9 31.147 38.504 51.279 1.00 18.50 C ATOM 1369 O HIS D 9 31.690 39.302 52.039 1.00 19.64 O ATOM 1370 CB HIS D 9 30.850 36.611 52.887 1.00 23.59 C ATOM 1371 CG HIS D 9 29.362 36.559 53.029 1.00 28.63 C ATOM 1372 ND1 HIS D 9 28.536 37.579 52.604 1.00 32.90 N ATOM 1373 CD2 HIS D 9 28.551 35.622 53.576 1.00 31.19 C ATOM 1374 CE1 HIS D 9 27.282 37.271 52.884 1.00 31.51 C ATOM 1375 NE2 HIS D 9 27.263 36.092 53.473 1.00 32.58 N ATOM 0 H HIS D 9 33.244 37.111 51.960 1.00 17.99 H new ATOM 0 HA HIS D 9 30.813 36.489 50.848 1.00 20.77 H new ATOM 0 HB2 HIS D 9 31.218 35.741 53.110 1.00 23.59 H new ATOM 0 HB3 HIS D 9 31.206 37.243 53.532 1.00 23.59 H new ATOM 0 HD1 HIS D 9 28.796 38.302 52.218 1.00 32.90 H new ATOM 0 HD2 HIS D 9 28.816 34.813 53.951 1.00 31.19 H new ATOM 0 HE1 HIS D 9 26.538 37.797 52.697 1.00 31.51 H new ATOM 1376 N THR D 10 30.403 38.882 50.245 1.00 18.50 N ATOM 1377 CA THR D 10 30.178 40.293 49.944 1.00 20.73 C ATOM 1378 C THR D 10 28.971 40.848 50.683 1.00 22.55 C ATOM 1379 O THR D 10 28.199 40.100 51.280 1.00 23.09 O ATOM 1380 CB THR D 10 29.951 40.520 48.440 1.00 20.36 C ATOM 1381 OG1 THR D 10 28.704 39.933 48.048 1.00 22.50 O ATOM 1382 CG2 THR D 10 31.072 39.884 47.632 1.00 23.12 C ATOM 0 H THR D 10 30.018 38.336 49.703 1.00 18.50 H new ATOM 0 HA THR D 10 30.980 40.755 50.235 1.00 20.73 H new ATOM 0 HB THR D 10 29.937 41.475 48.270 1.00 20.36 H new ATOM 0 HG1 THR D 10 28.505 40.189 47.273 1.00 22.50 H new ATOM 0 HG21 THR D 10 30.916 40.035 46.687 1.00 23.12 H new ATOM 0 HG22 THR D 10 31.920 40.281 47.886 1.00 23.12 H new ATOM 0 HG23 THR D 10 31.096 38.930 47.807 1.00 23.12 H new ATOM 1383 N ASN D 11 28.811 42.165 50.641 1.00 24.80 N ATOM 1384 CA ASN D 11 27.685 42.810 51.298 1.00 29.45 C ATOM 1385 C ASN D 11 26.411 42.558 50.503 1.00 32.98 C ATOM 1386 O ASN D 11 25.317 42.533 51.064 1.00 35.24 O ATOM 1387 CB ASN D 11 27.937 44.316 51.419 1.00 29.52 C ATOM 1388 CG ASN D 11 28.867 44.661 52.563 1.00 30.11 C ATOM 1389 OD1 ASN D 11 28.929 43.787 53.560 1.00 31.30 O flip ATOM 1390 ND2 ASN D 11 29.512 45.710 52.560 1.00 29.24 N flip ATOM 0 H ASN D 11 29.345 42.703 50.236 1.00 24.80 H new ATOM 0 HA ASN D 11 27.584 42.438 52.188 1.00 29.45 H new ATOM 0 HB2 ASN D 11 28.315 44.645 50.589 1.00 29.52 H new ATOM 0 HB3 ASN D 11 27.091 44.773 51.546 1.00 29.52 H new ATOM 0 HD21 ASN D 11 29.447 46.253 51.896 1.00 29.24 H new ATOM 0 HD22 ASN D 11 30.028 45.900 53.222 1.00 29.24 H new ATOM 1391 N ASP D 12 26.559 42.366 49.195 1.00 35.61 N ATOM 1392 CA ASP D 12 25.413 42.111 48.330 1.00 37.83 C ATOM 1393 C ASP D 12 25.008 40.638 48.362 1.00 38.85 C ATOM 1394 O ASP D 12 24.552 40.087 47.359 1.00 40.21 O ATOM 1395 CB ASP D 12 25.723 42.540 46.892 1.00 39.42 C ATOM 1396 CG ASP D 12 26.957 41.858 46.327 1.00 41.72 C ATOM 1397 OD1 ASP D 12 26.966 40.612 46.246 1.00 43.75 O ATOM 1398 OD2 ASP D 12 27.917 42.569 45.959 1.00 43.77 O ATOM 0 H ASP D 12 27.317 42.380 48.789 1.00 35.61 H new ATOM 0 HA ASP D 12 24.668 42.635 48.664 1.00 37.83 H new ATOM 0 HB2 ASP D 12 24.960 42.339 46.327 1.00 39.42 H new ATOM 0 HB3 ASP D 12 25.849 43.501 46.866 1.00 39.42 H new ATOM 1399 N GLY D 13 25.179 40.011 49.523 1.00 38.96 N ATOM 1400 CA GLY D 13 24.821 38.613 49.686 1.00 38.75 C ATOM 1401 C GLY D 13 25.370 37.680 48.623 1.00 37.75 C ATOM 1402 O GLY D 13 24.610 37.015 47.916 1.00 38.75 O ATOM 0 H GLY D 13 25.502 40.382 50.228 1.00 38.96 H new ATOM 0 HA2 GLY D 13 25.134 38.312 50.553 1.00 38.75 H new ATOM 0 HA3 GLY D 13 23.854 38.540 49.693 1.00 38.75 H new ATOM 1403 N ARG D 14 26.692 37.624 48.512 1.00 35.48 N ATOM 1404 CA ARG D 14 27.342 36.763 47.532 1.00 32.52 C ATOM 1405 C ARG D 14 28.511 36.032 48.188 1.00 30.85 C ATOM 1406 O ARG D 14 29.066 36.499 49.182 1.00 29.61 O ATOM 1407 CB ARG D 14 27.873 37.597 46.365 1.00 34.01 C ATOM 1408 CG ARG D 14 27.489 37.087 44.989 1.00 34.89 C ATOM 1409 CD ARG D 14 28.364 37.716 43.915 1.00 36.68 C ATOM 1410 NE ARG D 14 28.465 39.167 44.060 1.00 38.04 N ATOM 1411 CZ ARG D 14 29.247 39.939 43.311 1.00 38.41 C ATOM 1412 NH1 ARG D 14 30.000 39.402 42.359 1.00 38.74 N ATOM 1413 NH2 ARG D 14 29.288 41.249 43.518 1.00 39.79 N ATOM 0 H ARG D 14 27.234 38.081 48.999 1.00 35.48 H new ATOM 0 HA ARG D 14 26.692 36.123 47.202 1.00 32.52 H new ATOM 0 HB2 ARG D 14 27.549 38.506 46.461 1.00 34.01 H new ATOM 0 HB3 ARG D 14 28.841 37.633 46.424 1.00 34.01 H new ATOM 0 HG2 ARG D 14 27.579 36.122 44.961 1.00 34.89 H new ATOM 0 HG3 ARG D 14 26.557 37.290 44.813 1.00 34.89 H new ATOM 0 HD2 ARG D 14 29.252 37.327 43.955 1.00 36.68 H new ATOM 0 HD3 ARG D 14 28.001 37.505 43.041 1.00 36.68 H new ATOM 0 HE ARG D 14 27.989 39.545 44.668 1.00 38.04 H new ATOM 0 HH11 ARG D 14 29.983 38.553 42.225 1.00 38.74 H new ATOM 0 HH12 ARG D 14 30.505 39.903 41.876 1.00 38.74 H new ATOM 0 HH21 ARG D 14 28.808 41.602 44.138 1.00 39.79 H new ATOM 0 HH22 ARG D 14 29.795 41.745 43.032 1.00 39.79 H new ATOM 1414 N SER D 15 28.870 34.877 47.638 1.00 28.58 N ATOM 1415 CA SER D 15 29.994 34.102 48.148 1.00 27.06 C ATOM 1416 C SER D 15 30.887 33.854 46.945 1.00 25.66 C ATOM 1417 O SER D 15 30.440 33.315 45.932 1.00 25.56 O ATOM 1418 CB SER D 15 29.523 32.772 48.746 1.00 28.31 C ATOM 1419 OG SER D 15 28.959 31.937 47.754 1.00 34.22 O ATOM 0 H SER D 15 28.472 34.523 46.963 1.00 28.58 H new ATOM 0 HA SER D 15 30.457 34.574 48.858 1.00 27.06 H new ATOM 0 HB2 SER D 15 30.272 32.320 49.166 1.00 28.31 H new ATOM 0 HB3 SER D 15 28.868 32.941 49.441 1.00 28.31 H new ATOM 0 HG SER D 15 29.153 32.235 46.993 1.00 34.22 H new ATOM 1420 N ILE D 16 32.145 34.262 47.049 1.00 22.97 N ATOM 1421 CA ILE D 16 33.085 34.105 45.948 1.00 20.32 C ATOM 1422 C ILE D 16 34.318 33.319 46.365 1.00 19.26 C ATOM 1423 O ILE D 16 35.025 33.713 47.287 1.00 19.10 O ATOM 1424 CB ILE D 16 33.547 35.486 45.437 1.00 20.50 C ATOM 1425 CG1 ILE D 16 32.330 36.350 45.098 1.00 21.34 C ATOM 1426 CG2 ILE D 16 34.448 35.321 44.223 1.00 19.24 C ATOM 1427 CD1 ILE D 16 32.670 37.798 44.819 1.00 20.17 C ATOM 0 H ILE D 16 32.475 34.633 47.751 1.00 22.97 H new ATOM 0 HA ILE D 16 32.620 33.619 45.249 1.00 20.32 H new ATOM 0 HB ILE D 16 34.055 35.930 46.134 1.00 20.50 H new ATOM 0 HG12 ILE D 16 31.884 35.976 44.322 1.00 21.34 H new ATOM 0 HG13 ILE D 16 31.700 36.310 45.834 1.00 21.34 H new ATOM 0 HG21 ILE D 16 34.733 36.194 43.910 1.00 19.24 H new ATOM 0 HG22 ILE D 16 35.226 34.796 44.466 1.00 19.24 H new ATOM 0 HG23 ILE D 16 33.961 34.868 43.517 1.00 19.24 H new ATOM 0 HD11 ILE D 16 31.858 38.287 44.612 1.00 20.17 H new ATOM 0 HD12 ILE D 16 33.092 38.188 45.601 1.00 20.17 H new ATOM 0 HD13 ILE D 16 33.278 37.848 44.065 1.00 20.17 H new ATOM 1428 N VAL D 17 34.571 32.208 45.680 1.00 16.75 N ATOM 1429 CA VAL D 17 35.737 31.385 45.968 1.00 17.30 C ATOM 1430 C VAL D 17 36.908 31.925 45.164 1.00 17.82 C ATOM 1431 O VAL D 17 36.783 32.171 43.966 1.00 20.00 O ATOM 1432 CB VAL D 17 35.507 29.912 45.570 1.00 16.48 C ATOM 1433 CG1 VAL D 17 36.775 29.113 45.792 1.00 16.05 C ATOM 1434 CG2 VAL D 17 34.364 29.333 46.381 1.00 13.73 C ATOM 0 H VAL D 17 34.076 31.913 45.041 1.00 16.75 H new ATOM 0 HA VAL D 17 35.911 31.418 46.922 1.00 17.30 H new ATOM 0 HB VAL D 17 35.274 29.867 44.629 1.00 16.48 H new ATOM 0 HG11 VAL D 17 36.624 28.189 45.540 1.00 16.05 H new ATOM 0 HG12 VAL D 17 37.490 29.483 45.250 1.00 16.05 H new ATOM 0 HG13 VAL D 17 37.025 29.156 46.728 1.00 16.05 H new ATOM 0 HG21 VAL D 17 34.223 28.407 46.127 1.00 13.73 H new ATOM 0 HG22 VAL D 17 34.581 29.380 47.325 1.00 13.73 H new ATOM 0 HG23 VAL D 17 33.556 29.841 46.210 1.00 13.73 H new ATOM 1435 N THR D 18 38.046 32.107 45.820 1.00 17.52 N ATOM 1436 CA THR D 18 39.224 32.637 45.148 1.00 19.24 C ATOM 1437 C THR D 18 40.313 31.583 45.025 1.00 20.97 C ATOM 1438 O THR D 18 40.375 30.643 45.817 1.00 22.66 O ATOM 1439 CB THR D 18 39.824 33.817 45.929 1.00 18.69 C ATOM 1440 OG1 THR D 18 40.431 33.325 47.128 1.00 17.71 O ATOM 1441 CG2 THR D 18 38.744 34.814 46.309 1.00 16.41 C ATOM 0 H THR D 18 38.157 31.930 46.654 1.00 17.52 H new ATOM 0 HA THR D 18 38.930 32.923 44.269 1.00 19.24 H new ATOM 0 HB THR D 18 40.481 34.258 45.367 1.00 18.69 H new ATOM 0 HG1 THR D 18 41.267 33.334 47.043 1.00 17.71 H new ATOM 0 HG21 THR D 18 39.141 35.550 46.800 1.00 16.41 H new ATOM 0 HG22 THR D 18 38.320 35.154 45.506 1.00 16.41 H new ATOM 0 HG23 THR D 18 38.080 34.376 46.864 1.00 16.41 H new ATOM 1442 N ASP D 19 41.165 31.742 44.021 1.00 21.54 N ATOM 1443 CA ASP D 19 42.287 30.838 43.819 1.00 23.65 C ATOM 1444 C ASP D 19 43.482 31.555 44.432 1.00 22.47 C ATOM 1445 O ASP D 19 44.054 32.458 43.824 1.00 23.30 O ATOM 1446 CB ASP D 19 42.516 30.588 42.326 1.00 26.84 C ATOM 1447 CG ASP D 19 43.825 29.870 42.051 1.00 31.27 C ATOM 1448 OD1 ASP D 19 44.143 28.908 42.783 1.00 33.80 O ATOM 1449 OD2 ASP D 19 44.532 30.264 41.099 1.00 33.26 O ATOM 0 H ASP D 19 41.109 32.374 43.440 1.00 21.54 H new ATOM 0 HA ASP D 19 42.134 29.970 44.224 1.00 23.65 H new ATOM 0 HB2 ASP D 19 41.782 30.062 41.973 1.00 26.84 H new ATOM 0 HB3 ASP D 19 42.510 31.436 41.855 1.00 26.84 H new ATOM 1450 N GLY D 20 43.848 31.158 45.645 1.00 21.67 N ATOM 1451 CA GLY D 20 44.952 31.810 46.324 1.00 19.35 C ATOM 1452 C GLY D 20 44.385 32.913 47.201 1.00 17.48 C ATOM 1453 O GLY D 20 43.186 33.195 47.151 1.00 15.50 O ATOM 0 H GLY D 20 43.474 30.521 46.085 1.00 21.67 H new ATOM 0 HA2 GLY D 20 45.444 31.170 46.861 1.00 19.35 H new ATOM 0 HA3 GLY D 20 45.576 32.178 45.679 1.00 19.35 H new ATOM 1454 N LYS D 21 45.232 33.542 48.008 1.00 16.12 N ATOM 1455 CA LYS D 21 44.770 34.604 48.895 1.00 15.74 C ATOM 1456 C LYS D 21 44.646 35.939 48.170 1.00 15.40 C ATOM 1457 O LYS D 21 45.555 36.356 47.446 1.00 16.01 O ATOM 1458 CB LYS D 21 45.728 34.758 50.079 1.00 15.05 C ATOM 1459 CG LYS D 21 45.283 35.798 51.098 1.00 16.19 C ATOM 1460 CD LYS D 21 46.296 35.936 52.219 1.00 18.07 C ATOM 1461 CE LYS D 21 45.809 36.895 53.293 1.00 14.82 C ATOM 1462 NZ LYS D 21 46.809 37.036 54.377 1.00 15.58 N ATOM 0 H LYS D 21 46.073 33.371 48.058 1.00 16.12 H new ATOM 0 HA LYS D 21 43.889 34.350 49.212 1.00 15.74 H new ATOM 0 HB2 LYS D 21 45.820 33.901 50.523 1.00 15.05 H new ATOM 0 HB3 LYS D 21 46.606 35.000 49.745 1.00 15.05 H new ATOM 0 HG2 LYS D 21 45.164 36.655 50.659 1.00 16.19 H new ATOM 0 HG3 LYS D 21 44.422 35.546 51.466 1.00 16.19 H new ATOM 0 HD2 LYS D 21 46.465 35.066 52.613 1.00 18.07 H new ATOM 0 HD3 LYS D 21 47.139 36.253 51.858 1.00 18.07 H new ATOM 0 HE2 LYS D 21 45.631 37.763 52.899 1.00 14.82 H new ATOM 0 HE3 LYS D 21 44.971 36.574 53.662 1.00 14.82 H new ATOM 0 HZ1 LYS D 21 46.502 37.601 54.993 1.00 15.58 H new ATOM 0 HZ2 LYS D 21 46.956 36.242 54.751 1.00 15.58 H new ATOM 0 HZ3 LYS D 21 47.570 37.350 54.040 1.00 15.58 H new ATOM 1463 N PRO D 22 43.505 36.622 48.339 1.00 15.02 N ATOM 1464 CA PRO D 22 43.328 37.915 47.672 1.00 15.27 C ATOM 1465 C PRO D 22 44.300 38.945 48.243 1.00 14.50 C ATOM 1466 O PRO D 22 44.906 38.727 49.292 1.00 13.58 O ATOM 1467 CB PRO D 22 41.880 38.276 47.996 1.00 15.54 C ATOM 1468 CG PRO D 22 41.217 36.934 48.127 1.00 17.19 C ATOM 1469 CD PRO D 22 42.237 36.165 48.935 1.00 15.44 C ATOM 0 HA PRO D 22 43.503 37.889 46.718 1.00 15.27 H new ATOM 0 HB2 PRO D 22 41.813 38.791 48.815 1.00 15.54 H new ATOM 0 HB3 PRO D 22 41.477 38.808 47.293 1.00 15.54 H new ATOM 0 HG2 PRO D 22 40.362 36.993 48.581 1.00 17.19 H new ATOM 0 HG3 PRO D 22 41.052 36.524 47.264 1.00 17.19 H new ATOM 0 HD2 PRO D 22 42.184 36.374 49.881 1.00 15.44 H new ATOM 0 HD3 PRO D 22 42.120 35.206 48.849 1.00 15.44 H new ATOM 1470 N GLN D 23 44.452 40.066 47.553 1.00 13.90 N ATOM 1471 CA GLN D 23 45.331 41.108 48.055 1.00 14.35 C ATOM 1472 C GLN D 23 44.982 42.459 47.464 1.00 12.98 C ATOM 1473 O GLN D 23 44.327 42.553 46.424 1.00 13.37 O ATOM 1474 CB GLN D 23 46.797 40.764 47.774 1.00 18.65 C ATOM 1475 CG GLN D 23 47.204 40.827 46.326 1.00 22.03 C ATOM 1476 CD GLN D 23 48.610 40.304 46.110 1.00 27.57 C ATOM 1477 OE1 GLN D 23 49.584 40.877 46.604 1.00 27.60 O ATOM 1478 NE2 GLN D 23 48.723 39.204 45.374 1.00 30.28 N ATOM 0 H GLN D 23 44.063 40.241 46.806 1.00 13.90 H new ATOM 0 HA GLN D 23 45.204 41.161 49.015 1.00 14.35 H new ATOM 0 HB2 GLN D 23 47.359 41.371 48.280 1.00 18.65 H new ATOM 0 HB3 GLN D 23 46.974 39.870 48.106 1.00 18.65 H new ATOM 0 HG2 GLN D 23 46.581 40.309 45.793 1.00 22.03 H new ATOM 0 HG3 GLN D 23 47.149 41.744 46.015 1.00 22.03 H new ATOM 0 HE21 GLN D 23 48.020 38.832 45.046 1.00 30.28 H new ATOM 0 HE22 GLN D 23 49.499 38.864 45.226 1.00 30.28 H new ATOM 1479 N THR D 24 45.403 43.510 48.149 1.00 13.07 N ATOM 1480 CA THR D 24 45.137 44.855 47.682 1.00 12.79 C ATOM 1481 C THR D 24 45.956 45.102 46.429 1.00 12.35 C ATOM 1482 O THR D 24 47.166 44.890 46.424 1.00 11.47 O ATOM 1483 CB THR D 24 45.512 45.888 48.761 1.00 13.90 C ATOM 1484 OG1 THR D 24 44.791 45.596 49.966 1.00 11.86 O ATOM 1485 CG2 THR D 24 45.161 47.299 48.294 1.00 14.03 C ATOM 0 H THR D 24 45.844 43.464 48.886 1.00 13.07 H new ATOM 0 HA THR D 24 44.191 44.948 47.489 1.00 12.79 H new ATOM 0 HB THR D 24 46.467 45.839 48.924 1.00 13.90 H new ATOM 0 HG1 THR D 24 45.113 46.043 50.600 1.00 11.86 H new ATOM 0 HG21 THR D 24 45.403 47.938 48.983 1.00 14.03 H new ATOM 0 HG22 THR D 24 45.649 47.502 47.481 1.00 14.03 H new ATOM 0 HG23 THR D 24 44.208 47.355 48.121 1.00 14.03 H new ATOM 1486 N ASP D 25 45.289 45.532 45.362 1.00 11.51 N ATOM 1487 CA ASP D 25 45.967 45.815 44.106 1.00 10.25 C ATOM 1488 C ASP D 25 46.899 47.017 44.315 1.00 10.60 C ATOM 1489 O ASP D 25 46.484 48.048 44.851 1.00 6.01 O ATOM 1490 CB ASP D 25 44.929 46.103 43.013 1.00 14.15 C ATOM 1491 CG ASP D 25 45.561 46.348 41.661 1.00 15.01 C ATOM 1492 OD1 ASP D 25 46.100 47.453 41.451 1.00 16.99 O ATOM 1493 OD2 ASP D 25 45.530 45.432 40.814 1.00 17.79 O ATOM 0 H ASP D 25 44.440 45.666 45.347 1.00 11.51 H new ATOM 0 HA ASP D 25 46.494 45.051 43.823 1.00 10.25 H new ATOM 0 HB2 ASP D 25 44.316 45.354 42.949 1.00 14.15 H new ATOM 0 HB3 ASP D 25 44.404 46.878 43.266 1.00 14.15 H new ATOM 1494 N ASN D 26 48.155 46.878 43.888 1.00 8.94 N ATOM 1495 CA ASN D 26 49.144 47.942 44.061 1.00 9.80 C ATOM 1496 C ASN D 26 48.833 49.240 43.316 1.00 9.93 C ATOM 1497 O ASN D 26 49.258 50.311 43.747 1.00 10.33 O ATOM 1498 CB ASN D 26 50.546 47.466 43.636 1.00 10.54 C ATOM 1499 CG ASN D 26 51.090 46.339 44.512 1.00 13.17 C ATOM 1500 OD1 ASN D 26 50.691 46.177 45.666 1.00 13.39 O ATOM 1501 ND2 ASN D 26 52.026 45.566 43.963 1.00 9.84 N ATOM 0 H ASN D 26 48.454 46.174 43.495 1.00 8.94 H new ATOM 0 HA ASN D 26 49.111 48.143 45.009 1.00 9.80 H new ATOM 0 HB2 ASN D 26 50.513 47.165 42.715 1.00 10.54 H new ATOM 0 HB3 ASN D 26 51.159 48.217 43.667 1.00 10.54 H new ATOM 0 HD21 ASN D 26 52.375 44.925 44.418 1.00 9.84 H new ATOM 0 HD22 ASN D 26 52.281 45.708 43.154 1.00 9.84 H new ATOM 1502 N ASP D 27 48.101 49.153 42.208 1.00 9.72 N ATOM 1503 CA ASP D 27 47.785 50.339 41.413 1.00 11.92 C ATOM 1504 C ASP D 27 46.473 51.043 41.754 1.00 11.88 C ATOM 1505 O ASP D 27 46.413 52.271 41.761 1.00 12.10 O ATOM 1506 CB ASP D 27 47.747 49.986 39.920 1.00 12.32 C ATOM 1507 CG ASP D 27 49.057 49.406 39.417 1.00 16.70 C ATOM 1508 OD1 ASP D 27 50.101 50.082 39.549 1.00 19.16 O ATOM 1509 OD2 ASP D 27 49.043 48.270 38.884 1.00 15.27 O ATOM 0 H ASP D 27 47.778 48.418 41.899 1.00 9.72 H new ATOM 0 HA ASP D 27 48.498 50.959 41.633 1.00 11.92 H new ATOM 0 HB2 ASP D 27 47.034 49.348 39.761 1.00 12.32 H new ATOM 0 HB3 ASP D 27 47.534 50.783 39.409 1.00 12.32 H new ATOM 1510 N THR D 28 45.433 50.261 42.041 1.00 12.03 N ATOM 1511 CA THR D 28 44.097 50.799 42.301 1.00 11.44 C ATOM 1512 C THR D 28 43.596 50.862 43.734 1.00 10.37 C ATOM 1513 O THR D 28 42.682 51.629 44.031 1.00 9.71 O ATOM 1514 CB THR D 28 43.042 50.000 41.527 1.00 13.21 C ATOM 1515 OG1 THR D 28 42.992 48.666 42.049 1.00 11.15 O ATOM 1516 CG2 THR D 28 43.380 49.951 40.040 1.00 11.75 C ATOM 0 H THR D 28 45.482 49.404 42.091 1.00 12.03 H new ATOM 0 HA THR D 28 44.211 51.720 42.018 1.00 11.44 H new ATOM 0 HB THR D 28 42.181 50.435 41.631 1.00 13.21 H new ATOM 0 HG1 THR D 28 42.579 48.170 41.511 1.00 11.15 H new ATOM 0 HG21 THR D 28 42.701 49.442 39.570 1.00 11.75 H new ATOM 0 HG22 THR D 28 43.410 50.853 39.685 1.00 11.75 H new ATOM 0 HG23 THR D 28 44.244 49.527 39.918 1.00 11.75 H new ATOM 1517 N GLY D 29 44.154 50.046 44.617 1.00 9.73 N ATOM 1518 CA GLY D 29 43.681 50.056 45.990 1.00 7.39 C ATOM 1519 C GLY D 29 42.472 49.155 46.150 1.00 9.11 C ATOM 1520 O GLY D 29 41.925 49.032 47.245 1.00 7.94 O ATOM 0 H GLY D 29 44.791 49.493 44.448 1.00 9.73 H new ATOM 0 HA2 GLY D 29 44.390 49.761 46.583 1.00 7.39 H new ATOM 0 HA3 GLY D 29 43.451 50.962 46.251 1.00 7.39 H new HETATM 1521 N MSE D 30 42.048 48.534 45.051 1.00 9.14 N HETATM 1522 CA MSE D 30 40.914 47.614 45.064 1.00 12.11 C HETATM 1523 C MSE D 30 41.439 46.269 45.553 1.00 10.12 C HETATM 1524 O MSE D 30 42.650 46.081 45.696 1.00 10.48 O HETATM 1525 CB MSE D 30 40.365 47.416 43.644 1.00 15.42 C HETATM 1526 CG MSE D 30 39.853 48.665 42.953 1.00 19.52 C HETATM 1527 SE MSE D 30 38.041 49.060 43.443 1.00 27.85 SE HETATM 1528 CE MSE D 30 37.108 47.835 42.250 1.00 23.58 C HETATM 0 H MSE D 30 42.410 48.635 44.277 1.00 9.14 H new HETATM 0 HA MSE D 30 40.209 47.966 45.630 1.00 12.11 H new HETATM 0 HB2 MSE D 30 41.065 47.028 43.096 1.00 15.42 H new HETATM 0 HB3 MSE D 30 39.643 46.769 43.682 1.00 15.42 H new HETATM 0 HG2 MSE D 30 40.421 49.417 43.182 1.00 19.52 H new HETATM 0 HG3 MSE D 30 39.910 48.549 41.992 1.00 19.52 H new HETATM 0 HE1 MSE D 30 36.151 47.919 42.383 1.00 23.58 H new HETATM 0 HE2 MSE D 30 37.326 48.050 41.330 1.00 23.58 H new HETATM 0 HE3 MSE D 30 37.382 46.924 42.442 1.00 23.58 H new ATOM 1529 N ILE D 31 40.530 45.338 45.817 1.00 7.68 N ATOM 1530 CA ILE D 31 40.934 43.998 46.234 1.00 10.14 C ATOM 1531 C ILE D 31 41.051 43.196 44.949 1.00 9.86 C ATOM 1532 O ILE D 31 40.086 43.099 44.195 1.00 11.08 O ATOM 1533 CB ILE D 31 39.872 43.327 47.137 1.00 11.70 C ATOM 1534 CG1 ILE D 31 39.706 44.125 48.430 1.00 15.76 C ATOM 1535 CG2 ILE D 31 40.278 41.892 47.450 1.00 13.87 C ATOM 1536 CD1 ILE D 31 40.971 44.184 49.273 1.00 18.01 C ATOM 0 H ILE D 31 39.680 45.459 45.762 1.00 7.68 H new ATOM 0 HA ILE D 31 41.758 44.039 46.744 1.00 10.14 H new ATOM 0 HB ILE D 31 39.024 43.313 46.667 1.00 11.70 H new ATOM 0 HG12 ILE D 31 39.430 45.029 48.211 1.00 15.76 H new ATOM 0 HG13 ILE D 31 38.993 43.730 48.956 1.00 15.76 H new ATOM 0 HG21 ILE D 31 39.606 41.481 48.016 1.00 13.87 H new ATOM 0 HG22 ILE D 31 40.355 41.390 46.624 1.00 13.87 H new ATOM 0 HG23 ILE D 31 41.132 41.890 47.910 1.00 13.87 H new ATOM 0 HD11 ILE D 31 40.801 44.702 50.076 1.00 18.01 H new ATOM 0 HD12 ILE D 31 41.238 43.285 49.519 1.00 18.01 H new ATOM 0 HD13 ILE D 31 41.681 44.603 48.762 1.00 18.01 H new ATOM 1537 N SER D 32 42.229 42.647 44.676 1.00 11.32 N ATOM 1538 CA SER D 32 42.397 41.851 43.467 1.00 13.56 C ATOM 1539 C SER D 32 42.439 40.378 43.839 1.00 14.00 C ATOM 1540 O SER D 32 42.983 40.008 44.879 1.00 12.55 O ATOM 1541 CB SER D 32 43.685 42.228 42.731 1.00 17.22 C ATOM 1542 OG SER D 32 44.825 41.793 43.449 1.00 23.34 O ATOM 0 H SER D 32 42.931 42.721 45.167 1.00 11.32 H new ATOM 0 HA SER D 32 41.647 42.027 42.877 1.00 13.56 H new ATOM 0 HB2 SER D 32 43.684 41.830 41.846 1.00 17.22 H new ATOM 0 HB3 SER D 32 43.723 43.190 42.609 1.00 17.22 H new ATOM 0 HG SER D 32 44.733 41.981 44.262 1.00 23.34 H new ATOM 1543 N TYR D 33 41.860 39.538 42.988 1.00 14.60 N ATOM 1544 CA TYR D 33 41.836 38.104 43.245 1.00 15.16 C ATOM 1545 C TYR D 33 41.650 37.335 41.948 1.00 16.56 C ATOM 1546 O TYR D 33 41.236 37.894 40.934 1.00 17.83 O ATOM 1547 CB TYR D 33 40.691 37.767 44.205 1.00 14.66 C ATOM 1548 CG TYR D 33 39.308 37.946 43.606 1.00 16.07 C ATOM 1549 CD1 TYR D 33 38.631 36.868 43.032 1.00 17.08 C ATOM 1550 CD2 TYR D 33 38.683 39.191 43.601 1.00 15.10 C ATOM 1551 CE1 TYR D 33 37.358 37.025 42.468 1.00 16.60 C ATOM 1552 CE2 TYR D 33 37.411 39.363 43.036 1.00 16.72 C ATOM 1553 CZ TYR D 33 36.757 38.274 42.475 1.00 17.74 C ATOM 1554 OH TYR D 33 35.502 38.427 41.941 1.00 18.21 O ATOM 0 H TYR D 33 41.476 39.778 42.257 1.00 14.60 H new ATOM 0 HA TYR D 33 42.682 37.848 43.645 1.00 15.16 H new ATOM 0 HB2 TYR D 33 40.789 36.848 44.500 1.00 14.66 H new ATOM 0 HB3 TYR D 33 40.767 38.328 44.993 1.00 14.66 H new ATOM 0 HD1 TYR D 33 39.033 36.029 43.024 1.00 17.08 H new ATOM 0 HD2 TYR D 33 39.117 39.921 43.979 1.00 15.10 H new ATOM 0 HE1 TYR D 33 36.919 36.296 42.092 1.00 16.60 H new ATOM 0 HE2 TYR D 33 37.008 40.201 43.037 1.00 16.72 H new ATOM 0 HH TYR D 33 35.263 39.229 42.013 1.00 18.21 H new ATOM 1555 N LYS D 34 41.971 36.051 41.985 1.00 19.44 N ATOM 1556 CA LYS D 34 41.816 35.201 40.818 1.00 23.09 C ATOM 1557 C LYS D 34 40.619 34.315 41.133 1.00 24.28 C ATOM 1558 O LYS D 34 40.541 33.732 42.218 1.00 20.35 O ATOM 1559 CB LYS D 34 43.077 34.359 40.606 1.00 25.99 C ATOM 1560 CG LYS D 34 43.626 34.438 39.186 1.00 31.99 C ATOM 1561 CD LYS D 34 44.858 33.560 39.004 1.00 33.59 C ATOM 1562 CE LYS D 34 46.069 34.141 39.709 1.00 34.76 C ATOM 1563 NZ LYS D 34 46.497 35.427 39.092 1.00 38.38 N ATOM 0 H LYS D 34 42.282 35.651 42.680 1.00 19.44 H new ATOM 0 HA LYS D 34 41.682 35.711 40.004 1.00 23.09 H new ATOM 0 HB2 LYS D 34 43.762 34.652 41.227 1.00 25.99 H new ATOM 0 HB3 LYS D 34 42.879 33.433 40.818 1.00 25.99 H new ATOM 0 HG2 LYS D 34 42.939 34.165 38.558 1.00 31.99 H new ATOM 0 HG3 LYS D 34 43.851 35.358 38.977 1.00 31.99 H new ATOM 0 HD2 LYS D 34 44.677 32.672 39.350 1.00 33.59 H new ATOM 0 HD3 LYS D 34 45.050 33.463 38.058 1.00 33.59 H new ATOM 0 HE2 LYS D 34 45.862 34.284 40.646 1.00 34.76 H new ATOM 0 HE3 LYS D 34 46.801 33.505 39.674 1.00 34.76 H new ATOM 0 HZ1 LYS D 34 47.342 35.360 38.821 1.00 38.38 H new ATOM 0 HZ2 LYS D 34 45.975 35.610 38.394 1.00 38.38 H new ATOM 0 HZ3 LYS D 34 46.430 36.081 39.692 1.00 38.38 H new ATOM 1564 N ASP D 35 39.668 34.242 40.208 1.00 27.37 N ATOM 1565 CA ASP D 35 38.479 33.427 40.434 1.00 31.84 C ATOM 1566 C ASP D 35 38.824 31.963 40.203 1.00 33.96 C ATOM 1567 O ASP D 35 39.895 31.647 39.681 1.00 31.77 O ATOM 1568 CB ASP D 35 37.347 33.857 39.496 1.00 35.58 C ATOM 1569 CG ASP D 35 37.486 33.273 38.107 1.00 38.58 C ATOM 1570 OD1 ASP D 35 38.611 33.277 37.567 1.00 40.90 O ATOM 1571 OD2 ASP D 35 36.464 32.816 37.550 1.00 42.42 O ATOM 0 H ASP D 35 39.690 34.651 39.452 1.00 27.37 H new ATOM 0 HA ASP D 35 38.178 33.549 41.348 1.00 31.84 H new ATOM 0 HB2 ASP D 35 36.497 33.583 39.874 1.00 35.58 H new ATOM 0 HB3 ASP D 35 37.332 34.825 39.436 1.00 35.58 H new ATOM 1572 N ALA D 36 37.915 31.075 40.596 1.00 37.27 N ATOM 1573 CA ALA D 36 38.122 29.639 40.445 1.00 40.62 C ATOM 1574 C ALA D 36 38.374 29.257 38.993 1.00 41.81 C ATOM 1575 O ALA D 36 38.905 28.183 38.708 1.00 43.23 O ATOM 1576 CB ALA D 36 36.914 28.875 40.987 1.00 39.81 C ATOM 0 H ALA D 36 37.164 31.288 40.956 1.00 37.27 H new ATOM 0 HA ALA D 36 38.911 29.398 40.955 1.00 40.62 H new ATOM 0 HB1 ALA D 36 37.060 27.922 40.883 1.00 39.81 H new ATOM 0 HB2 ALA D 36 36.795 29.082 41.927 1.00 39.81 H new ATOM 0 HB3 ALA D 36 36.119 29.135 40.496 1.00 39.81 H new ATOM 1577 N ASN D 37 37.991 30.136 38.075 1.00 43.46 N ATOM 1578 CA ASN D 37 38.189 29.869 36.659 1.00 44.55 C ATOM 1579 C ASN D 37 39.525 30.421 36.158 1.00 44.69 C ATOM 1580 O ASN D 37 39.808 30.385 34.961 1.00 44.96 O ATOM 1581 CB ASN D 37 37.030 30.448 35.845 1.00 46.65 C ATOM 1582 CG ASN D 37 35.686 29.860 36.247 1.00 48.65 C ATOM 1583 OD1 ASN D 37 35.498 28.642 36.234 1.00 49.67 O ATOM 1584 ND2 ASN D 37 34.745 30.726 36.606 1.00 48.91 N ATOM 0 H ASN D 37 37.616 30.890 38.251 1.00 43.46 H new ATOM 0 HA ASN D 37 38.210 28.907 36.540 1.00 44.55 H new ATOM 0 HB2 ASN D 37 37.006 31.411 35.961 1.00 46.65 H new ATOM 0 HB3 ASN D 37 37.185 30.280 34.902 1.00 46.65 H new ATOM 0 HD21 ASN D 37 33.968 30.443 36.842 1.00 48.91 H new ATOM 0 HD22 ASN D 37 34.913 31.569 36.603 1.00 48.91 H new ATOM 1585 N GLY D 38 40.335 30.940 37.081 1.00 43.94 N ATOM 1586 CA GLY D 38 41.651 31.455 36.728 1.00 41.79 C ATOM 1587 C GLY D 38 41.844 32.909 36.319 1.00 40.74 C ATOM 1588 O GLY D 38 42.985 33.372 36.240 1.00 40.03 O ATOM 0 H GLY D 38 40.139 31.002 37.916 1.00 43.94 H new ATOM 0 HA2 GLY D 38 42.231 31.295 37.489 1.00 41.79 H new ATOM 0 HA3 GLY D 38 41.983 30.909 35.998 1.00 41.79 H new ATOM 1589 N ASN D 39 40.765 33.640 36.062 1.00 38.50 N ATOM 1590 CA ASN D 39 40.892 35.036 35.645 1.00 37.05 C ATOM 1591 C ASN D 39 41.000 36.044 36.792 1.00 34.93 C ATOM 1592 O ASN D 39 40.327 35.917 37.815 1.00 33.40 O ATOM 1593 CB ASN D 39 39.721 35.412 34.732 1.00 39.59 C ATOM 1594 CG ASN D 39 38.378 35.023 35.317 1.00 41.86 C ATOM 1595 OD1 ASN D 39 37.980 35.513 36.377 1.00 42.97 O ATOM 1596 ND2 ASN D 39 37.670 34.133 34.628 1.00 43.28 N ATOM 0 H ASN D 39 39.957 33.352 36.122 1.00 38.50 H new ATOM 0 HA ASN D 39 41.736 35.091 35.171 1.00 37.05 H new ATOM 0 HB2 ASN D 39 39.735 36.368 34.571 1.00 39.59 H new ATOM 0 HB3 ASN D 39 39.833 34.978 33.872 1.00 39.59 H new ATOM 0 HD21 ASN D 39 36.902 33.877 34.918 1.00 43.28 H new ATOM 0 HD22 ASN D 39 37.980 33.813 33.892 1.00 43.28 H new ATOM 1597 N LYS D 40 41.852 37.050 36.605 1.00 32.53 N ATOM 1598 CA LYS D 40 42.061 38.089 37.613 1.00 29.94 C ATOM 1599 C LYS D 40 40.888 39.062 37.646 1.00 27.38 C ATOM 1600 O LYS D 40 40.404 39.505 36.605 1.00 27.44 O ATOM 1601 CB LYS D 40 43.353 38.858 37.323 1.00 32.77 C ATOM 1602 CG LYS D 40 44.596 37.987 37.294 1.00 35.97 C ATOM 1603 CD LYS D 40 45.839 38.791 36.942 1.00 38.11 C ATOM 1604 CE LYS D 40 47.051 37.883 36.798 1.00 40.11 C ATOM 1605 NZ LYS D 40 48.291 38.640 36.470 1.00 42.14 N ATOM 0 H LYS D 40 42.324 37.150 35.893 1.00 32.53 H new ATOM 0 HA LYS D 40 42.130 37.655 38.478 1.00 29.94 H new ATOM 0 HB2 LYS D 40 43.265 39.309 36.469 1.00 32.77 H new ATOM 0 HB3 LYS D 40 43.467 39.546 37.997 1.00 32.77 H new ATOM 0 HG2 LYS D 40 44.717 37.566 38.160 1.00 35.97 H new ATOM 0 HG3 LYS D 40 44.477 37.275 36.647 1.00 35.97 H new ATOM 0 HD2 LYS D 40 45.692 39.274 36.114 1.00 38.11 H new ATOM 0 HD3 LYS D 40 46.006 39.453 37.631 1.00 38.11 H new ATOM 0 HE2 LYS D 40 47.184 37.392 37.624 1.00 40.11 H new ATOM 0 HE3 LYS D 40 46.881 37.229 36.103 1.00 40.11 H new ATOM 0 HZ1 LYS D 40 48.974 38.074 36.395 1.00 42.14 H new ATOM 0 HZ2 LYS D 40 48.180 39.074 35.701 1.00 42.14 H new ATOM 0 HZ3 LYS D 40 48.462 39.226 37.118 1.00 42.14 H new ATOM 1606 N GLN D 41 40.442 39.394 38.852 1.00 21.97 N ATOM 1607 CA GLN D 41 39.321 40.306 39.040 1.00 20.12 C ATOM 1608 C GLN D 41 39.655 41.279 40.163 1.00 15.97 C ATOM 1609 O GLN D 41 40.575 41.043 40.944 1.00 13.00 O ATOM 1610 CB GLN D 41 38.062 39.528 39.441 1.00 23.29 C ATOM 1611 CG GLN D 41 37.708 38.355 38.549 1.00 27.61 C ATOM 1612 CD GLN D 41 37.220 38.792 37.187 1.00 30.83 C ATOM 1613 OE1 GLN D 41 36.296 39.596 37.079 1.00 32.36 O ATOM 1614 NE2 GLN D 41 37.838 38.263 36.137 1.00 33.69 N ATOM 0 H GLN D 41 40.781 39.097 39.584 1.00 21.97 H new ATOM 0 HA GLN D 41 39.161 40.779 38.208 1.00 20.12 H new ATOM 0 HB2 GLN D 41 38.177 39.202 40.347 1.00 23.29 H new ATOM 0 HB3 GLN D 41 37.312 40.142 39.454 1.00 23.29 H new ATOM 0 HG2 GLN D 41 38.486 37.786 38.443 1.00 27.61 H new ATOM 0 HG3 GLN D 41 37.022 37.821 38.979 1.00 27.61 H new ATOM 0 HE21 GLN D 41 38.481 37.703 36.253 1.00 33.69 H new ATOM 0 HE22 GLN D 41 37.595 38.480 35.341 1.00 33.69 H new ATOM 1615 N GLN D 42 38.901 42.370 40.231 1.00 15.75 N ATOM 1616 CA GLN D 42 39.075 43.367 41.277 1.00 14.16 C ATOM 1617 C GLN D 42 37.713 43.767 41.819 1.00 13.59 C ATOM 1618 O GLN D 42 36.767 43.986 41.060 1.00 13.66 O ATOM 1619 CB GLN D 42 39.788 44.606 40.742 1.00 16.36 C ATOM 1620 CG GLN D 42 41.194 44.335 40.240 1.00 18.54 C ATOM 1621 CD GLN D 42 41.905 45.602 39.825 1.00 20.95 C ATOM 1622 OE1 GLN D 42 41.717 46.669 40.597 1.00 23.95 O flip ATOM 1623 NE2 GLN D 42 42.627 45.621 38.825 1.00 19.60 N flip ATOM 0 H GLN D 42 38.274 42.552 39.671 1.00 15.75 H new ATOM 0 HA GLN D 42 39.618 42.981 41.982 1.00 14.16 H new ATOM 0 HB2 GLN D 42 39.263 44.984 40.019 1.00 16.36 H new ATOM 0 HB3 GLN D 42 39.827 45.274 41.444 1.00 16.36 H new ATOM 0 HG2 GLN D 42 41.705 43.892 40.936 1.00 18.54 H new ATOM 0 HG3 GLN D 42 41.155 43.726 39.486 1.00 18.54 H new ATOM 0 HE21 GLN D 42 42.724 44.910 38.351 1.00 19.60 H new ATOM 0 HE22 GLN D 42 43.034 46.345 38.602 1.00 19.60 H new ATOM 1624 N ILE D 43 37.614 43.840 43.139 1.00 11.21 N ATOM 1625 CA ILE D 43 36.379 44.226 43.794 1.00 11.37 C ATOM 1626 C ILE D 43 36.742 45.208 44.896 1.00 10.22 C ATOM 1627 O ILE D 43 37.827 45.131 45.465 1.00 10.80 O ATOM 1628 CB ILE D 43 35.656 42.994 44.395 1.00 13.80 C ATOM 1629 CG1 ILE D 43 34.333 43.425 45.030 1.00 15.09 C ATOM 1630 CG2 ILE D 43 36.543 42.311 45.424 1.00 11.97 C ATOM 1631 CD1 ILE D 43 33.474 42.254 45.491 1.00 18.11 C ATOM 0 H ILE D 43 38.261 43.667 43.678 1.00 11.21 H new ATOM 0 HA ILE D 43 35.773 44.629 43.152 1.00 11.37 H new ATOM 0 HB ILE D 43 35.469 42.361 43.684 1.00 13.80 H new ATOM 0 HG12 ILE D 43 34.518 44.000 45.789 1.00 15.09 H new ATOM 0 HG13 ILE D 43 33.831 43.953 44.390 1.00 15.09 H new ATOM 0 HG21 ILE D 43 36.079 41.543 45.792 1.00 11.97 H new ATOM 0 HG22 ILE D 43 37.365 42.019 45.000 1.00 11.97 H new ATOM 0 HG23 ILE D 43 36.751 42.935 46.137 1.00 11.97 H new ATOM 0 HD11 ILE D 43 32.653 42.590 45.883 1.00 18.11 H new ATOM 0 HD12 ILE D 43 33.262 41.689 44.731 1.00 18.11 H new ATOM 0 HD13 ILE D 43 33.960 41.737 46.152 1.00 18.11 H new ATOM 1632 N ASN D 44 35.841 46.137 45.184 1.00 9.56 N ATOM 1633 CA ASN D 44 36.079 47.136 46.217 1.00 8.99 C ATOM 1634 C ASN D 44 36.046 46.483 47.602 1.00 9.94 C ATOM 1635 O ASN D 44 35.134 45.715 47.911 1.00 11.17 O ATOM 1636 CB ASN D 44 35.010 48.226 46.126 1.00 8.86 C ATOM 1637 CG ASN D 44 35.405 49.490 46.853 1.00 8.20 C ATOM 1638 OD1 ASN D 44 35.779 49.452 48.020 1.00 8.09 O ATOM 1639 ND2 ASN D 44 35.313 50.623 46.166 1.00 10.38 N ATOM 0 H ASN D 44 35.080 46.207 44.790 1.00 9.56 H new ATOM 0 HA ASN D 44 36.954 47.532 46.083 1.00 8.99 H new ATOM 0 HB2 ASN D 44 34.842 48.433 45.193 1.00 8.86 H new ATOM 0 HB3 ASN D 44 34.179 47.890 46.496 1.00 8.86 H new ATOM 0 HD21 ASN D 44 35.520 51.370 46.539 1.00 10.38 H new ATOM 0 HD22 ASN D 44 35.046 50.610 45.348 1.00 10.38 H new ATOM 1640 N ARG D 45 37.043 46.787 48.433 1.00 9.79 N ATOM 1641 CA ARG D 45 37.110 46.224 49.777 1.00 10.03 C ATOM 1642 C ARG D 45 35.824 46.534 50.537 1.00 9.78 C ATOM 1643 O ARG D 45 35.348 45.719 51.331 1.00 8.55 O ATOM 1644 CB ARG D 45 38.306 46.797 50.548 1.00 9.29 C ATOM 1645 CG ARG D 45 38.504 46.153 51.914 1.00 10.65 C ATOM 1646 CD ARG D 45 39.582 46.844 52.753 1.00 10.49 C ATOM 1647 NE ARG D 45 40.917 46.732 52.165 1.00 10.49 N ATOM 1648 CZ ARG D 45 41.521 47.699 51.480 1.00 12.21 C ATOM 1649 NH1 ARG D 45 40.919 48.864 51.287 1.00 11.48 N ATOM 1650 NH2 ARG D 45 42.740 47.504 50.996 1.00 14.59 N ATOM 0 H ARG D 45 37.690 47.318 48.236 1.00 9.79 H new ATOM 0 HA ARG D 45 37.219 45.263 49.698 1.00 10.03 H new ATOM 0 HB2 ARG D 45 39.111 46.677 50.020 1.00 9.29 H new ATOM 0 HB3 ARG D 45 38.182 47.752 50.662 1.00 9.29 H new ATOM 0 HG2 ARG D 45 37.664 46.171 52.399 1.00 10.65 H new ATOM 0 HG3 ARG D 45 38.743 45.221 51.794 1.00 10.65 H new ATOM 0 HD2 ARG D 45 39.355 47.782 52.854 1.00 10.49 H new ATOM 0 HD3 ARG D 45 39.591 46.457 53.642 1.00 10.49 H new ATOM 0 HE ARG D 45 41.340 45.991 52.269 1.00 10.49 H new ATOM 0 HH11 ARG D 45 40.132 48.999 51.606 1.00 11.48 H new ATOM 0 HH12 ARG D 45 41.316 49.485 50.843 1.00 11.48 H new ATOM 0 HH21 ARG D 45 43.139 46.753 51.125 1.00 14.59 H new ATOM 0 HH22 ARG D 45 43.132 48.128 50.553 1.00 14.59 H new ATOM 1651 N THR D 46 35.270 47.716 50.281 1.00 10.60 N ATOM 1652 CA THR D 46 34.037 48.155 50.928 1.00 12.42 C ATOM 1653 C THR D 46 32.905 47.154 50.710 1.00 13.16 C ATOM 1654 O THR D 46 31.990 47.054 51.528 1.00 13.60 O ATOM 1655 CB THR D 46 33.579 49.535 50.379 1.00 14.29 C ATOM 1656 OG1 THR D 46 34.552 50.533 50.710 1.00 16.15 O ATOM 1657 CG2 THR D 46 32.233 49.936 50.977 1.00 14.67 C ATOM 0 H THR D 46 35.598 48.286 49.727 1.00 10.60 H new ATOM 0 HA THR D 46 34.230 48.224 51.876 1.00 12.42 H new ATOM 0 HB THR D 46 33.488 49.465 49.416 1.00 14.29 H new ATOM 0 HG1 THR D 46 34.541 51.139 50.129 1.00 16.15 H new ATOM 0 HG21 THR D 46 31.965 50.798 50.623 1.00 14.67 H new ATOM 0 HG22 THR D 46 31.565 49.271 50.747 1.00 14.67 H new ATOM 0 HG23 THR D 46 32.312 49.994 51.942 1.00 14.67 H new ATOM 1658 N ASP D 47 32.970 46.414 49.606 1.00 13.21 N ATOM 1659 CA ASP D 47 31.933 45.439 49.281 1.00 16.26 C ATOM 1660 C ASP D 47 32.226 44.053 49.849 1.00 16.51 C ATOM 1661 O ASP D 47 31.420 43.130 49.699 1.00 17.60 O ATOM 1662 CB ASP D 47 31.751 45.371 47.756 1.00 19.82 C ATOM 1663 CG ASP D 47 30.576 44.496 47.333 1.00 27.18 C ATOM 1664 OD1 ASP D 47 29.533 44.505 48.022 1.00 28.87 O ATOM 1665 OD2 ASP D 47 30.689 43.812 46.290 1.00 31.42 O ATOM 0 H ASP D 47 33.608 46.462 49.031 1.00 13.21 H new ATOM 0 HA ASP D 47 31.110 45.738 49.698 1.00 16.26 H new ATOM 0 HB2 ASP D 47 31.620 46.268 47.411 1.00 19.82 H new ATOM 0 HB3 ASP D 47 32.564 45.028 47.353 1.00 19.82 H new ATOM 1666 N VAL D 48 33.373 43.908 50.510 1.00 14.82 N ATOM 1667 CA VAL D 48 33.751 42.629 51.103 1.00 15.15 C ATOM 1668 C VAL D 48 33.521 42.669 52.612 1.00 16.75 C ATOM 1669 O VAL D 48 34.188 43.409 53.339 1.00 16.37 O ATOM 1670 CB VAL D 48 35.235 42.299 50.829 1.00 15.02 C ATOM 1671 CG1 VAL D 48 35.569 40.909 51.376 1.00 12.81 C ATOM 1672 CG2 VAL D 48 35.516 42.369 49.327 1.00 16.67 C ATOM 0 H VAL D 48 33.946 44.539 50.626 1.00 14.82 H new ATOM 0 HA VAL D 48 33.200 41.941 50.699 1.00 15.15 H new ATOM 0 HB VAL D 48 35.796 42.950 51.278 1.00 15.02 H new ATOM 0 HG11 VAL D 48 36.502 40.708 51.201 1.00 12.81 H new ATOM 0 HG12 VAL D 48 35.409 40.890 52.332 1.00 12.81 H new ATOM 0 HG13 VAL D 48 35.009 40.247 50.942 1.00 12.81 H new ATOM 0 HG21 VAL D 48 36.449 42.161 49.162 1.00 16.67 H new ATOM 0 HG22 VAL D 48 34.955 41.728 48.862 1.00 16.67 H new ATOM 0 HG23 VAL D 48 35.322 43.262 49.003 1.00 16.67 H new ATOM 1673 N LYS D 49 32.578 41.862 53.080 1.00 16.19 N ATOM 1674 CA LYS D 49 32.245 41.820 54.499 1.00 17.26 C ATOM 1675 C LYS D 49 33.197 40.942 55.305 1.00 15.61 C ATOM 1676 O LYS D 49 33.676 41.342 56.365 1.00 15.82 O ATOM 1677 CB LYS D 49 30.807 41.322 54.667 1.00 19.52 C ATOM 1678 CG LYS D 49 30.264 41.386 56.085 1.00 24.20 C ATOM 1679 CD LYS D 49 28.781 41.056 56.095 1.00 27.17 C ATOM 1680 CE LYS D 49 28.161 41.294 57.459 1.00 29.54 C ATOM 1681 NZ LYS D 49 28.230 42.728 57.838 1.00 31.01 N ATOM 0 H LYS D 49 32.116 41.327 52.590 1.00 16.19 H new ATOM 0 HA LYS D 49 32.335 42.722 54.845 1.00 17.26 H new ATOM 0 HB2 LYS D 49 30.229 41.845 54.090 1.00 19.52 H new ATOM 0 HB3 LYS D 49 30.759 40.404 54.358 1.00 19.52 H new ATOM 0 HG2 LYS D 49 30.745 40.762 56.651 1.00 24.20 H new ATOM 0 HG3 LYS D 49 30.407 42.272 56.454 1.00 24.20 H new ATOM 0 HD2 LYS D 49 28.324 41.598 55.433 1.00 27.17 H new ATOM 0 HD3 LYS D 49 28.654 40.129 55.839 1.00 27.17 H new ATOM 0 HE2 LYS D 49 27.236 41.003 57.452 1.00 29.54 H new ATOM 0 HE3 LYS D 49 28.621 40.759 58.124 1.00 29.54 H new ATOM 0 HZ1 LYS D 49 27.430 43.000 58.117 1.00 31.01 H new ATOM 0 HZ2 LYS D 49 28.824 42.834 58.492 1.00 31.01 H new ATOM 0 HZ3 LYS D 49 28.477 43.210 57.132 1.00 31.01 H new ATOM 1682 N GLU D 50 33.472 39.747 54.797 1.00 15.26 N ATOM 1683 CA GLU D 50 34.343 38.813 55.494 1.00 17.76 C ATOM 1684 C GLU D 50 35.001 37.840 54.529 1.00 17.87 C ATOM 1685 O GLU D 50 34.648 37.776 53.350 1.00 15.95 O ATOM 1686 CB GLU D 50 33.532 38.056 56.548 1.00 19.85 C ATOM 1687 CG GLU D 50 32.087 37.814 56.125 1.00 25.52 C ATOM 1688 CD GLU D 50 31.207 37.342 57.264 1.00 29.33 C ATOM 1689 OE1 GLU D 50 31.148 38.036 58.303 1.00 32.26 O ATOM 1690 OE2 GLU D 50 30.569 36.281 57.117 1.00 33.70 O ATOM 0 H GLU D 50 33.163 39.458 54.048 1.00 15.26 H new ATOM 0 HA GLU D 50 35.051 39.315 55.927 1.00 17.76 H new ATOM 0 HB2 GLU D 50 33.959 37.203 56.727 1.00 19.85 H new ATOM 0 HB3 GLU D 50 33.541 38.558 57.378 1.00 19.85 H new ATOM 0 HG2 GLU D 50 31.721 38.634 55.759 1.00 25.52 H new ATOM 0 HG3 GLU D 50 32.070 37.154 55.415 1.00 25.52 H new HETATM 1691 N MSE D 51 35.956 37.076 55.042 1.00 18.83 N HETATM 1692 CA MSE D 51 36.689 36.131 54.221 1.00 20.05 C HETATM 1693 C MSE D 51 37.186 35.001 55.109 1.00 19.97 C HETATM 1694 O MSE D 51 37.520 35.223 56.269 1.00 19.26 O HETATM 1695 CB MSE D 51 37.871 36.860 53.593 1.00 24.12 C HETATM 1696 CG MSE D 51 38.426 36.260 52.336 1.00 31.86 C HETATM 1697 SE MSE D 51 39.941 37.320 51.791 1.00 41.45 SE HETATM 1698 CE MSE D 51 39.046 38.973 51.373 1.00 34.29 C HETATM 0 H MSE D 51 36.194 37.092 55.868 1.00 18.83 H new HETATM 0 HA MSE D 51 36.124 35.765 53.523 1.00 20.05 H new HETATM 0 HB2 MSE D 51 37.601 37.772 53.402 1.00 24.12 H new HETATM 0 HB3 MSE D 51 38.584 36.907 54.249 1.00 24.12 H new HETATM 0 HG2 MSE D 51 38.693 35.340 52.488 1.00 31.86 H new HETATM 0 HG3 MSE D 51 37.752 36.248 51.639 1.00 31.86 H new HETATM 0 HE1 MSE D 51 39.697 39.627 51.074 1.00 34.29 H new HETATM 0 HE2 MSE D 51 38.396 38.820 50.670 1.00 34.29 H new HETATM 0 HE3 MSE D 51 38.594 39.305 52.164 1.00 34.29 H new ATOM 1699 N VAL D 52 37.231 33.788 54.573 1.00 18.56 N ATOM 1700 CA VAL D 52 37.705 32.653 55.357 1.00 19.41 C ATOM 1701 C VAL D 52 38.608 31.755 54.529 1.00 18.47 C ATOM 1702 O VAL D 52 38.341 31.498 53.356 1.00 17.78 O ATOM 1703 CB VAL D 52 36.536 31.809 55.910 1.00 20.74 C ATOM 1704 CG1 VAL D 52 35.715 31.245 54.771 1.00 20.88 C ATOM 1705 CG2 VAL D 52 37.081 30.682 56.783 1.00 22.76 C ATOM 0 H VAL D 52 36.995 33.601 53.767 1.00 18.56 H new ATOM 0 HA VAL D 52 38.206 33.022 56.101 1.00 19.41 H new ATOM 0 HB VAL D 52 35.963 32.375 56.450 1.00 20.74 H new ATOM 0 HG11 VAL D 52 34.984 30.717 55.129 1.00 20.88 H new ATOM 0 HG12 VAL D 52 35.357 31.973 54.238 1.00 20.88 H new ATOM 0 HG13 VAL D 52 36.277 30.683 54.214 1.00 20.88 H new ATOM 0 HG21 VAL D 52 36.344 30.154 57.128 1.00 22.76 H new ATOM 0 HG22 VAL D 52 37.664 30.115 56.254 1.00 22.76 H new ATOM 0 HG23 VAL D 52 37.582 31.059 57.523 1.00 22.76 H new ATOM 1706 N ALA D 53 39.681 31.286 55.147 1.00 17.90 N ATOM 1707 CA ALA D 53 40.622 30.415 54.464 1.00 20.19 C ATOM 1708 C ALA D 53 40.089 28.989 54.435 1.00 21.28 C ATOM 1709 O ALA D 53 39.525 28.508 55.419 1.00 21.02 O ATOM 1710 CB ALA D 53 41.970 30.455 55.168 1.00 19.40 C ATOM 0 H ALA D 53 39.883 31.461 55.964 1.00 17.90 H new ATOM 0 HA ALA D 53 40.733 30.725 53.552 1.00 20.19 H new ATOM 0 HB1 ALA D 53 42.593 29.872 54.707 1.00 19.40 H new ATOM 0 HB2 ALA D 53 42.312 31.363 55.161 1.00 19.40 H new ATOM 0 HB3 ALA D 53 41.865 30.156 56.085 1.00 19.40 H new ATOM 1711 N LEU D 54 40.257 28.328 53.296 1.00 23.82 N ATOM 1712 CA LEU D 54 39.817 26.948 53.131 1.00 28.46 C ATOM 1713 C LEU D 54 41.040 26.074 53.373 1.00 31.47 C ATOM 1714 O LEU D 54 41.863 25.887 52.479 1.00 31.75 O ATOM 1715 CB LEU D 54 39.287 26.730 51.713 1.00 27.50 C ATOM 1716 CG LEU D 54 38.091 27.598 51.317 1.00 27.23 C ATOM 1717 CD1 LEU D 54 37.813 27.446 49.825 1.00 28.88 C ATOM 1718 CD2 LEU D 54 36.876 27.203 52.141 1.00 27.74 C ATOM 0 H LEU D 54 40.629 28.666 52.598 1.00 23.82 H new ATOM 0 HA LEU D 54 39.101 26.731 53.749 1.00 28.46 H new ATOM 0 HB2 LEU D 54 40.008 26.895 51.086 1.00 27.50 H new ATOM 0 HB3 LEU D 54 39.036 25.798 51.618 1.00 27.50 H new ATOM 0 HG LEU D 54 38.292 28.530 51.495 1.00 27.23 H new ATOM 0 HD11 LEU D 54 37.054 27.998 49.579 1.00 28.88 H new ATOM 0 HD12 LEU D 54 38.593 27.726 49.320 1.00 28.88 H new ATOM 0 HD13 LEU D 54 37.615 26.518 49.625 1.00 28.88 H new ATOM 0 HD21 LEU D 54 36.120 27.755 51.888 1.00 27.74 H new ATOM 0 HD22 LEU D 54 36.664 26.270 51.979 1.00 27.74 H new ATOM 0 HD23 LEU D 54 37.068 27.331 53.083 1.00 27.74 H new ATOM 1719 N GLU D 55 41.156 25.554 54.590 1.00 35.39 N ATOM 1720 CA GLU D 55 42.295 24.727 54.968 1.00 39.83 C ATOM 1721 C GLU D 55 41.875 23.593 55.897 1.00 42.76 C ATOM 1722 O GLU D 55 40.710 23.197 55.919 1.00 43.22 O ATOM 1723 CB GLU D 55 43.337 25.603 55.661 1.00 40.45 C ATOM 1724 CG GLU D 55 42.782 26.337 56.874 1.00 43.49 C ATOM 1725 CD GLU D 55 43.620 27.533 57.281 1.00 43.97 C ATOM 1726 OE1 GLU D 55 43.240 28.218 58.254 1.00 44.83 O ATOM 1727 OE2 GLU D 55 44.653 27.792 56.627 1.00 45.67 O ATOM 0 H GLU D 55 40.579 25.670 55.217 1.00 35.39 H new ATOM 0 HA GLU D 55 42.669 24.330 54.166 1.00 39.83 H new ATOM 0 HB2 GLU D 55 44.085 25.051 55.937 1.00 40.45 H new ATOM 0 HB3 GLU D 55 43.682 26.251 55.027 1.00 40.45 H new ATOM 0 HG2 GLU D 55 41.879 26.633 56.681 1.00 43.49 H new ATOM 0 HG3 GLU D 55 42.725 25.720 57.620 1.00 43.49 H new ATOM 1728 N ASN D 56 42.831 23.079 56.667 1.00 45.83 N ATOM 1729 CA ASN D 56 42.565 21.993 57.608 1.00 48.56 C ATOM 1730 C ASN D 56 41.483 22.392 58.611 1.00 49.66 C ATOM 1731 O ASN D 56 41.217 23.605 58.738 1.00 50.02 O ATOM 1732 CB ASN D 56 43.848 21.630 58.359 1.00 49.34 C ATOM 1733 CG ASN D 56 43.614 20.604 59.452 1.00 51.02 C ATOM 1734 OD1 ASN D 56 43.196 19.477 59.183 1.00 52.20 O ATOM 1735 ND2 ASN D 56 43.880 20.991 60.696 1.00 50.81 N ATOM 0 H ASN D 56 43.648 23.348 56.659 1.00 45.83 H new ATOM 0 HA ASN D 56 42.252 21.225 57.104 1.00 48.56 H new ATOM 0 HB2 ASN D 56 44.500 21.284 57.730 1.00 49.34 H new ATOM 0 HB3 ASN D 56 44.228 22.432 58.749 1.00 49.34 H new ATOM 0 HD21 ASN D 56 43.761 20.446 61.351 1.00 50.81 H new ATOM 0 HD22 ASN D 56 44.171 21.786 60.846 1.00 50.81 H new TER 1736 ASN D 56 ATOM 1737 N PRO E 4 39.794 77.039 35.884 1.00 48.73 N ATOM 1738 CA PRO E 4 40.248 77.160 34.480 1.00 47.81 C ATOM 1739 C PRO E 4 41.062 75.949 34.032 1.00 47.12 C ATOM 1740 O PRO E 4 41.561 75.909 32.905 1.00 47.84 O ATOM 1741 CB PRO E 4 41.083 78.426 34.397 1.00 49.13 C ATOM 1742 CG PRO E 4 41.606 78.531 35.830 1.00 49.66 C ATOM 1743 CD PRO E 4 40.413 78.099 36.700 1.00 48.85 C ATOM 0 HA PRO E 4 39.481 77.201 33.887 1.00 47.81 H new ATOM 0 HB2 PRO E 4 41.801 78.349 33.750 1.00 49.13 H new ATOM 0 HB3 PRO E 4 40.554 79.198 34.143 1.00 49.13 H new ATOM 0 HG2 PRO E 4 42.374 77.955 35.970 1.00 49.66 H new ATOM 0 HG3 PRO E 4 41.888 79.435 36.039 1.00 49.66 H new ATOM 0 HD2 PRO E 4 40.698 77.768 37.566 1.00 48.85 H new ATOM 0 HD3 PRO E 4 39.801 78.833 36.864 1.00 48.85 H new ATOM 1744 N ASN E 5 41.195 74.964 34.916 1.00 44.36 N ATOM 1745 CA ASN E 5 41.952 73.760 34.596 1.00 41.16 C ATOM 1746 C ASN E 5 41.222 72.466 34.934 1.00 37.47 C ATOM 1747 O ASN E 5 41.361 71.474 34.222 1.00 37.23 O ATOM 1748 CB ASN E 5 43.307 73.781 35.306 1.00 43.50 C ATOM 1749 CG ASN E 5 44.240 74.833 34.744 1.00 47.35 C ATOM 1750 OD1 ASN E 5 44.004 76.035 34.890 1.00 48.17 O ATOM 1751 ND2 ASN E 5 45.305 74.385 34.085 1.00 48.14 N ATOM 0 H ASN E 5 40.855 74.974 35.706 1.00 44.36 H new ATOM 0 HA ASN E 5 42.072 73.770 33.633 1.00 41.16 H new ATOM 0 HB2 ASN E 5 43.171 73.946 36.252 1.00 43.50 H new ATOM 0 HB3 ASN E 5 43.723 72.908 35.228 1.00 43.50 H new ATOM 0 HD21 ASN E 5 45.863 74.941 33.740 1.00 48.14 H new ATOM 0 HD22 ASN E 5 45.436 73.539 34.004 1.00 48.14 H new ATOM 1752 N TYR E 6 40.448 72.472 36.016 1.00 33.26 N ATOM 1753 CA TYR E 6 39.714 71.276 36.429 1.00 29.10 C ATOM 1754 C TYR E 6 38.308 71.581 36.931 1.00 26.34 C ATOM 1755 O TYR E 6 38.047 72.657 37.462 1.00 25.79 O ATOM 1756 CB TYR E 6 40.475 70.549 37.542 1.00 29.18 C ATOM 1757 CG TYR E 6 41.678 69.769 37.072 1.00 28.10 C ATOM 1758 CD1 TYR E 6 41.571 68.419 36.734 1.00 28.19 C ATOM 1759 CD2 TYR E 6 42.923 70.380 36.950 1.00 27.85 C ATOM 1760 CE1 TYR E 6 42.680 67.694 36.288 1.00 27.58 C ATOM 1761 CE2 TYR E 6 44.038 69.664 36.501 1.00 28.40 C ATOM 1762 CZ TYR E 6 43.907 68.322 36.174 1.00 28.28 C ATOM 1763 OH TYR E 6 44.999 67.612 35.734 1.00 29.17 O ATOM 0 H TYR E 6 40.334 73.156 36.524 1.00 33.26 H new ATOM 0 HA TYR E 6 39.636 70.720 35.638 1.00 29.10 H new ATOM 0 HB2 TYR E 6 40.763 71.201 38.200 1.00 29.18 H new ATOM 0 HB3 TYR E 6 39.866 69.942 37.992 1.00 29.18 H new ATOM 0 HD1 TYR E 6 40.747 67.994 36.807 1.00 28.19 H new ATOM 0 HD2 TYR E 6 43.015 71.279 37.171 1.00 27.85 H new ATOM 0 HE1 TYR E 6 42.593 66.794 36.069 1.00 27.58 H new ATOM 0 HE2 TYR E 6 44.863 70.086 36.422 1.00 28.40 H new ATOM 0 HH TYR E 6 45.671 68.116 35.713 1.00 29.17 H new ATOM 1764 N VAL E 7 37.403 70.624 36.750 1.00 22.61 N ATOM 1765 CA VAL E 7 36.032 70.760 37.227 1.00 21.52 C ATOM 1766 C VAL E 7 35.703 69.533 38.072 1.00 20.49 C ATOM 1767 O VAL E 7 35.871 68.400 37.621 1.00 20.69 O ATOM 1768 CB VAL E 7 35.009 70.865 36.066 1.00 22.58 C ATOM 1769 CG1 VAL E 7 35.200 69.725 35.084 1.00 23.58 C ATOM 1770 CG2 VAL E 7 33.590 70.842 36.625 1.00 22.73 C ATOM 0 H VAL E 7 37.566 69.881 36.349 1.00 22.61 H new ATOM 0 HA VAL E 7 35.968 71.579 37.742 1.00 21.52 H new ATOM 0 HB VAL E 7 35.154 71.702 35.597 1.00 22.58 H new ATOM 0 HG11 VAL E 7 34.554 69.805 34.365 1.00 23.58 H new ATOM 0 HG12 VAL E 7 36.097 69.761 34.717 1.00 23.58 H new ATOM 0 HG13 VAL E 7 35.072 68.879 35.541 1.00 23.58 H new ATOM 0 HG21 VAL E 7 32.954 70.908 35.896 1.00 22.73 H new ATOM 0 HG22 VAL E 7 33.445 70.012 37.106 1.00 22.73 H new ATOM 0 HG23 VAL E 7 33.468 71.591 37.229 1.00 22.73 H new HETATM 1771 N MSE E 8 35.251 69.765 39.300 1.00 17.81 N HETATM 1772 CA MSE E 8 34.899 68.676 40.206 1.00 19.87 C HETATM 1773 C MSE E 8 33.383 68.492 40.291 1.00 19.40 C HETATM 1774 O MSE E 8 32.639 69.460 40.426 1.00 19.57 O HETATM 1775 CB MSE E 8 35.447 68.951 41.612 1.00 19.13 C HETATM 1776 CG MSE E 8 36.959 69.118 41.694 1.00 23.64 C HETATM 1777 SE MSE E 8 37.551 69.393 43.528 1.00 31.30 SE HETATM 1778 CE MSE E 8 36.784 71.139 43.824 1.00 25.43 C HETATM 0 H MSE E 8 35.140 70.551 39.630 1.00 17.81 H new HETATM 0 HA MSE E 8 35.295 67.864 39.852 1.00 19.87 H new HETATM 0 HB2 MSE E 8 35.027 69.755 41.956 1.00 19.13 H new HETATM 0 HB3 MSE E 8 35.184 68.222 42.195 1.00 19.13 H new HETATM 0 HG2 MSE E 8 37.393 68.331 41.328 1.00 23.64 H new HETATM 0 HG3 MSE E 8 37.232 69.872 41.149 1.00 23.64 H new HETATM 0 HE1 MSE E 8 36.992 71.436 44.724 1.00 25.43 H new HETATM 0 HE2 MSE E 8 37.152 71.767 43.183 1.00 25.43 H new HETATM 0 HE3 MSE E 8 35.821 71.093 43.714 1.00 25.43 H new ATOM 1779 N HIS E 9 32.935 67.246 40.207 1.00 19.91 N ATOM 1780 CA HIS E 9 31.517 66.928 40.299 1.00 21.27 C ATOM 1781 C HIS E 9 31.291 66.282 41.665 1.00 20.34 C ATOM 1782 O HIS E 9 31.753 65.174 41.920 1.00 20.17 O ATOM 1783 CB HIS E 9 31.117 65.973 39.170 1.00 23.63 C ATOM 1784 CG HIS E 9 31.230 66.584 37.803 1.00 26.85 C ATOM 1785 ND1 HIS E 9 30.457 67.649 37.404 1.00 28.73 N ATOM 1786 CD2 HIS E 9 32.050 66.299 36.764 1.00 30.34 C ATOM 1787 CE1 HIS E 9 30.795 68.000 36.173 1.00 30.19 C ATOM 1788 NE2 HIS E 9 31.758 67.198 35.763 1.00 31.32 N ATOM 0 H HIS E 9 33.444 66.562 40.095 1.00 19.91 H new ATOM 0 HA HIS E 9 30.973 67.726 40.209 1.00 21.27 H new ATOM 0 HB2 HIS E 9 31.677 65.182 39.211 1.00 23.63 H new ATOM 0 HB3 HIS E 9 30.203 65.681 39.312 1.00 23.63 H new ATOM 0 HD2 HIS E 9 32.689 65.624 36.732 1.00 30.34 H new ATOM 0 HE1 HIS E 9 30.418 68.694 35.682 1.00 30.19 H new ATOM 0 HE2 HIS E 9 32.142 67.231 34.994 1.00 31.32 H new ATOM 1789 N THR E 10 30.590 66.989 42.542 1.00 20.40 N ATOM 1790 CA THR E 10 30.338 66.490 43.892 1.00 21.68 C ATOM 1791 C THR E 10 29.148 65.552 43.952 1.00 22.57 C ATOM 1792 O THR E 10 28.446 65.357 42.962 1.00 24.15 O ATOM 1793 CB THR E 10 30.074 67.644 44.870 1.00 19.24 C ATOM 1794 OG1 THR E 10 28.827 68.273 44.538 1.00 18.40 O ATOM 1795 CG2 THR E 10 31.189 68.670 44.784 1.00 19.33 C ATOM 0 H THR E 10 30.250 67.762 42.377 1.00 20.40 H new ATOM 0 HA THR E 10 31.139 66.005 44.145 1.00 21.68 H new ATOM 0 HB THR E 10 30.037 67.290 45.772 1.00 19.24 H new ATOM 0 HG1 THR E 10 28.474 68.582 45.235 1.00 18.40 H new ATOM 0 HG21 THR E 10 31.012 69.394 45.405 1.00 19.33 H new ATOM 0 HG22 THR E 10 32.034 68.250 45.010 1.00 19.33 H new ATOM 0 HG23 THR E 10 31.235 69.023 43.882 1.00 19.33 H new ATOM 1796 N ASN E 11 28.927 64.968 45.123 1.00 24.47 N ATOM 1797 CA ASN E 11 27.811 64.059 45.308 1.00 28.12 C ATOM 1798 C ASN E 11 26.558 64.819 45.719 1.00 31.20 C ATOM 1799 O ASN E 11 25.475 64.240 45.799 1.00 33.65 O ATOM 1800 CB ASN E 11 28.156 62.997 46.355 1.00 27.72 C ATOM 1801 CG ASN E 11 29.150 61.977 45.840 1.00 28.29 C ATOM 1802 OD1 ASN E 11 28.955 61.389 44.776 1.00 29.22 O ATOM 1803 ND2 ASN E 11 30.216 61.752 46.598 1.00 27.66 N ATOM 0 H ASN E 11 29.413 65.086 45.822 1.00 24.47 H new ATOM 0 HA ASN E 11 27.636 63.617 44.462 1.00 28.12 H new ATOM 0 HB2 ASN E 11 28.520 63.430 47.143 1.00 27.72 H new ATOM 0 HB3 ASN E 11 27.344 62.543 46.631 1.00 27.72 H new ATOM 0 HD21 ASN E 11 30.805 61.176 46.352 1.00 27.66 H new ATOM 0 HD22 ASN E 11 30.318 62.183 47.335 1.00 27.66 H new ATOM 1804 N ASP E 12 26.708 66.116 45.975 1.00 32.59 N ATOM 1805 CA ASP E 12 25.577 66.947 46.377 1.00 35.03 C ATOM 1806 C ASP E 12 25.108 67.889 45.271 1.00 35.21 C ATOM 1807 O ASP E 12 24.691 69.016 45.539 1.00 37.18 O ATOM 1808 CB ASP E 12 25.923 67.757 47.630 1.00 35.91 C ATOM 1809 CG ASP E 12 27.179 68.588 47.464 1.00 37.74 C ATOM 1810 OD1 ASP E 12 27.259 69.366 46.490 1.00 38.11 O ATOM 1811 OD2 ASP E 12 28.086 68.469 48.315 1.00 38.71 O ATOM 0 H ASP E 12 27.457 66.534 45.922 1.00 32.59 H new ATOM 0 HA ASP E 12 24.846 66.339 46.569 1.00 35.03 H new ATOM 0 HB2 ASP E 12 25.180 68.341 47.848 1.00 35.91 H new ATOM 0 HB3 ASP E 12 26.037 67.152 48.380 1.00 35.91 H new ATOM 1812 N GLY E 13 25.186 67.421 44.031 1.00 35.66 N ATOM 1813 CA GLY E 13 24.742 68.209 42.892 1.00 35.47 C ATOM 1814 C GLY E 13 25.458 69.514 42.585 1.00 34.91 C ATOM 1815 O GLY E 13 24.811 70.547 42.409 1.00 36.00 O ATOM 0 H GLY E 13 25.495 66.644 43.828 1.00 35.66 H new ATOM 0 HA2 GLY E 13 24.803 67.647 42.104 1.00 35.47 H new ATOM 0 HA3 GLY E 13 23.803 68.412 43.023 1.00 35.47 H new ATOM 1816 N ARG E 14 26.785 69.479 42.505 1.00 32.04 N ATOM 1817 CA ARG E 14 27.555 70.679 42.196 1.00 30.06 C ATOM 1818 C ARG E 14 28.702 70.413 41.232 1.00 29.06 C ATOM 1819 O ARG E 14 29.176 69.285 41.104 1.00 28.84 O ATOM 1820 CB ARG E 14 28.138 71.302 43.466 1.00 29.56 C ATOM 1821 CG ARG E 14 27.200 72.199 44.249 1.00 30.01 C ATOM 1822 CD ARG E 14 27.957 72.849 45.397 1.00 28.53 C ATOM 1823 NE ARG E 14 28.485 71.845 46.315 1.00 30.19 N ATOM 1824 CZ ARG E 14 29.409 72.082 47.240 1.00 29.67 C ATOM 1825 NH1 ARG E 14 29.924 73.297 47.379 1.00 30.22 N ATOM 1826 NH2 ARG E 14 29.818 71.100 48.031 1.00 30.02 N ATOM 0 H ARG E 14 27.258 68.771 42.626 1.00 32.04 H new ATOM 0 HA ARG E 14 26.929 71.288 41.775 1.00 30.06 H new ATOM 0 HB2 ARG E 14 28.437 70.587 44.049 1.00 29.56 H new ATOM 0 HB3 ARG E 14 28.923 71.817 43.223 1.00 29.56 H new ATOM 0 HG2 ARG E 14 26.828 72.881 43.667 1.00 30.01 H new ATOM 0 HG3 ARG E 14 26.455 71.682 44.592 1.00 30.01 H new ATOM 0 HD2 ARG E 14 28.685 73.385 45.046 1.00 28.53 H new ATOM 0 HD3 ARG E 14 27.367 73.452 45.877 1.00 28.53 H new ATOM 0 HE ARG E 14 28.177 71.045 46.253 1.00 30.19 H new ATOM 0 HH11 ARG E 14 29.660 73.937 46.869 1.00 30.22 H new ATOM 0 HH12 ARG E 14 30.522 73.445 47.979 1.00 30.22 H new ATOM 0 HH21 ARG E 14 29.485 70.312 47.945 1.00 30.02 H new ATOM 0 HH22 ARG E 14 30.416 71.251 48.630 1.00 30.02 H new ATOM 1827 N SER E 15 29.137 71.474 40.562 1.00 29.21 N ATOM 1828 CA SER E 15 30.251 71.424 39.623 1.00 28.96 C ATOM 1829 C SER E 15 31.150 72.589 40.012 1.00 29.33 C ATOM 1830 O SER E 15 30.802 73.752 39.805 1.00 30.00 O ATOM 1831 CB SER E 15 29.764 71.596 38.183 1.00 30.04 C ATOM 1832 OG SER E 15 28.920 70.521 37.804 1.00 32.51 O ATOM 0 H SER E 15 28.788 72.256 40.641 1.00 29.21 H new ATOM 0 HA SER E 15 30.711 70.571 39.662 1.00 28.96 H new ATOM 0 HB2 SER E 15 29.284 72.435 38.098 1.00 30.04 H new ATOM 0 HB3 SER E 15 30.525 71.642 37.583 1.00 30.04 H new ATOM 0 HG SER E 15 29.378 69.822 37.719 1.00 32.51 H new ATOM 1833 N ILE E 16 32.304 72.271 40.586 1.00 26.90 N ATOM 1834 CA ILE E 16 33.237 73.295 41.038 1.00 25.24 C ATOM 1835 C ILE E 16 34.473 73.388 40.154 1.00 25.52 C ATOM 1836 O ILE E 16 35.213 72.416 40.007 1.00 23.85 O ATOM 1837 CB ILE E 16 33.676 73.001 42.486 1.00 24.41 C ATOM 1838 CG1 ILE E 16 32.436 72.801 43.361 1.00 23.81 C ATOM 1839 CG2 ILE E 16 34.529 74.136 43.022 1.00 25.81 C ATOM 1840 CD1 ILE E 16 32.738 72.296 44.753 1.00 23.87 C ATOM 0 H ILE E 16 32.567 71.464 40.724 1.00 26.90 H new ATOM 0 HA ILE E 16 32.771 74.144 40.988 1.00 25.24 H new ATOM 0 HB ILE E 16 34.210 72.191 42.501 1.00 24.41 H new ATOM 0 HG12 ILE E 16 31.961 73.644 43.429 1.00 23.81 H new ATOM 0 HG13 ILE E 16 31.840 72.174 42.922 1.00 23.81 H new ATOM 0 HG21 ILE E 16 34.797 73.937 43.933 1.00 25.81 H new ATOM 0 HG22 ILE E 16 35.318 74.237 42.468 1.00 25.81 H new ATOM 0 HG23 ILE E 16 34.017 74.960 43.009 1.00 25.81 H new ATOM 0 HD11 ILE E 16 31.910 72.194 45.247 1.00 23.87 H new ATOM 0 HD12 ILE E 16 33.188 71.439 44.696 1.00 23.87 H new ATOM 0 HD13 ILE E 16 33.311 72.931 45.211 1.00 23.87 H new ATOM 1841 N VAL E 17 34.690 74.565 39.570 1.00 24.86 N ATOM 1842 CA VAL E 17 35.846 74.798 38.710 1.00 25.82 C ATOM 1843 C VAL E 17 37.034 75.179 39.584 1.00 25.90 C ATOM 1844 O VAL E 17 36.913 76.016 40.479 1.00 27.11 O ATOM 1845 CB VAL E 17 35.578 75.939 37.701 1.00 25.62 C ATOM 1846 CG1 VAL E 17 36.822 76.211 36.882 1.00 26.39 C ATOM 1847 CG2 VAL E 17 34.418 75.565 36.792 1.00 26.88 C ATOM 0 H VAL E 17 34.174 75.247 39.661 1.00 24.86 H new ATOM 0 HA VAL E 17 36.028 73.987 38.210 1.00 25.82 H new ATOM 0 HB VAL E 17 35.346 76.745 38.188 1.00 25.62 H new ATOM 0 HG11 VAL E 17 36.645 76.927 36.252 1.00 26.39 H new ATOM 0 HG12 VAL E 17 37.547 76.471 37.471 1.00 26.39 H new ATOM 0 HG13 VAL E 17 37.072 75.409 36.397 1.00 26.39 H new ATOM 0 HG21 VAL E 17 34.255 76.284 36.162 1.00 26.88 H new ATOM 0 HG22 VAL E 17 34.635 74.754 36.307 1.00 26.88 H new ATOM 0 HG23 VAL E 17 33.622 75.418 37.327 1.00 26.88 H new ATOM 1848 N THR E 18 38.184 74.567 39.321 1.00 24.68 N ATOM 1849 CA THR E 18 39.376 74.841 40.111 1.00 25.16 C ATOM 1850 C THR E 18 40.479 75.501 39.298 1.00 24.71 C ATOM 1851 O THR E 18 40.555 75.341 38.080 1.00 25.63 O ATOM 1852 CB THR E 18 39.959 73.544 40.719 1.00 25.04 C ATOM 1853 OG1 THR E 18 40.598 72.781 39.689 1.00 26.12 O ATOM 1854 CG2 THR E 18 38.855 72.705 41.340 1.00 24.42 C ATOM 0 H THR E 18 38.294 73.992 38.691 1.00 24.68 H new ATOM 0 HA THR E 18 39.086 75.447 40.810 1.00 25.16 H new ATOM 0 HB THR E 18 40.601 73.784 41.406 1.00 25.04 H new ATOM 0 HG1 THR E 18 41.430 72.889 39.735 1.00 26.12 H new ATOM 0 HG21 THR E 18 39.236 71.896 41.716 1.00 24.42 H new ATOM 0 HG22 THR E 18 38.418 73.213 42.041 1.00 24.42 H new ATOM 0 HG23 THR E 18 38.205 72.469 40.659 1.00 24.42 H new ATOM 1855 N ASP E 19 41.333 76.239 39.995 1.00 24.52 N ATOM 1856 CA ASP E 19 42.462 76.920 39.383 1.00 24.36 C ATOM 1857 C ASP E 19 43.675 76.037 39.645 1.00 23.66 C ATOM 1858 O ASP E 19 44.299 76.117 40.703 1.00 23.75 O ATOM 1859 CB ASP E 19 42.649 78.294 40.031 1.00 26.17 C ATOM 1860 CG ASP E 19 43.857 79.034 39.497 1.00 28.08 C ATOM 1861 OD1 ASP E 19 44.084 80.180 39.937 1.00 32.17 O ATOM 1862 OD2 ASP E 19 44.577 78.477 38.645 1.00 29.90 O ATOM 0 H ASP E 19 41.272 76.359 40.844 1.00 24.52 H new ATOM 0 HA ASP E 19 42.329 77.061 38.432 1.00 24.36 H new ATOM 0 HB2 ASP E 19 41.854 78.829 39.880 1.00 26.17 H new ATOM 0 HB3 ASP E 19 42.740 78.185 40.991 1.00 26.17 H new ATOM 1863 N GLY E 20 44.005 75.193 38.676 1.00 22.16 N ATOM 1864 CA GLY E 20 45.124 74.286 38.847 1.00 21.11 C ATOM 1865 C GLY E 20 44.567 72.950 39.293 1.00 20.02 C ATOM 1866 O GLY E 20 43.363 72.831 39.526 1.00 19.00 O ATOM 0 H GLY E 20 43.598 75.131 37.921 1.00 22.16 H new ATOM 0 HA2 GLY E 20 45.615 74.190 38.016 1.00 21.11 H new ATOM 0 HA3 GLY E 20 45.746 74.633 39.506 1.00 21.11 H new ATOM 1867 N LYS E 21 45.425 71.942 39.418 1.00 19.18 N ATOM 1868 CA LYS E 21 44.964 70.622 39.828 1.00 17.07 C ATOM 1869 C LYS E 21 44.823 70.503 41.338 1.00 14.88 C ATOM 1870 O LYS E 21 45.739 70.840 42.086 1.00 15.30 O ATOM 1871 CB LYS E 21 45.919 69.533 39.325 1.00 16.97 C ATOM 1872 CG LYS E 21 45.404 68.121 39.589 1.00 16.07 C ATOM 1873 CD LYS E 21 46.387 67.040 39.155 1.00 13.64 C ATOM 1874 CE LYS E 21 45.780 65.664 39.395 1.00 12.25 C ATOM 1875 NZ LYS E 21 46.694 64.545 39.032 1.00 15.34 N ATOM 0 H LYS E 21 46.270 72.001 39.271 1.00 19.18 H new ATOM 0 HA LYS E 21 44.087 70.500 39.431 1.00 17.07 H new ATOM 0 HB2 LYS E 21 46.060 69.648 38.372 1.00 16.97 H new ATOM 0 HB3 LYS E 21 46.782 69.643 39.754 1.00 16.97 H new ATOM 0 HG2 LYS E 21 45.218 68.021 40.536 1.00 16.07 H new ATOM 0 HG3 LYS E 21 44.564 67.995 39.120 1.00 16.07 H new ATOM 0 HD2 LYS E 21 46.605 67.147 38.216 1.00 13.64 H new ATOM 0 HD3 LYS E 21 47.216 67.128 39.650 1.00 13.64 H new ATOM 0 HE2 LYS E 21 45.536 65.584 40.330 1.00 12.25 H new ATOM 0 HE3 LYS E 21 44.961 65.584 38.881 1.00 12.25 H new ATOM 0 HZ1 LYS E 21 46.246 63.777 39.053 1.00 15.34 H new ATOM 0 HZ2 LYS E 21 47.016 64.678 38.213 1.00 15.34 H new ATOM 0 HZ3 LYS E 21 47.367 64.511 39.613 1.00 15.34 H new ATOM 1876 N PRO E 22 43.665 70.018 41.810 1.00 14.33 N ATOM 1877 CA PRO E 22 43.455 69.867 43.253 1.00 14.93 C ATOM 1878 C PRO E 22 44.417 68.824 43.807 1.00 13.00 C ATOM 1879 O PRO E 22 44.969 68.026 43.057 1.00 13.20 O ATOM 1880 CB PRO E 22 42.006 69.395 43.346 1.00 14.67 C ATOM 1881 CG PRO E 22 41.373 69.994 42.131 1.00 16.26 C ATOM 1882 CD PRO E 22 42.421 69.751 41.070 1.00 16.01 C ATOM 0 HA PRO E 22 43.613 70.677 43.762 1.00 14.93 H new ATOM 0 HB2 PRO E 22 41.944 68.427 43.342 1.00 14.67 H new ATOM 0 HB3 PRO E 22 41.580 69.704 44.161 1.00 14.67 H new ATOM 0 HG2 PRO E 22 40.531 69.565 41.913 1.00 16.26 H new ATOM 0 HG3 PRO E 22 41.188 70.939 42.248 1.00 16.26 H new ATOM 0 HD2 PRO E 22 42.389 68.844 40.728 1.00 16.01 H new ATOM 0 HD3 PRO E 22 42.315 70.345 40.311 1.00 16.01 H new ATOM 1883 N GLN E 23 44.615 68.825 45.118 1.00 13.50 N ATOM 1884 CA GLN E 23 45.502 67.840 45.722 1.00 14.26 C ATOM 1885 C GLN E 23 45.139 67.601 47.177 1.00 11.64 C ATOM 1886 O GLN E 23 44.558 68.464 47.837 1.00 11.03 O ATOM 1887 CB GLN E 23 46.958 68.297 45.619 1.00 17.32 C ATOM 1888 CG GLN E 23 47.340 69.423 46.556 1.00 22.07 C ATOM 1889 CD GLN E 23 48.727 69.964 46.264 1.00 28.99 C ATOM 1890 OE1 GLN E 23 49.673 69.200 46.058 1.00 28.24 O ATOM 1891 NE2 GLN E 23 48.857 71.291 46.251 1.00 30.14 N ATOM 0 H GLN E 23 44.252 69.377 45.669 1.00 13.50 H new ATOM 0 HA GLN E 23 45.396 67.007 45.237 1.00 14.26 H new ATOM 0 HB2 GLN E 23 47.535 67.537 45.795 1.00 17.32 H new ATOM 0 HB3 GLN E 23 47.131 68.579 44.707 1.00 17.32 H new ATOM 0 HG2 GLN E 23 46.692 70.140 46.479 1.00 22.07 H new ATOM 0 HG3 GLN E 23 47.304 69.106 47.472 1.00 22.07 H new ATOM 0 HE21 GLN E 23 48.174 71.791 46.399 1.00 30.14 H new ATOM 0 HE22 GLN E 23 49.624 71.646 46.094 1.00 30.14 H new ATOM 1892 N THR E 24 45.465 66.414 47.669 1.00 11.31 N ATOM 1893 CA THR E 24 45.179 66.079 49.053 1.00 10.40 C ATOM 1894 C THR E 24 45.997 67.018 49.919 1.00 10.31 C ATOM 1895 O THR E 24 47.208 67.137 49.739 1.00 9.73 O ATOM 1896 CB THR E 24 45.567 64.623 49.353 1.00 12.96 C ATOM 1897 OG1 THR E 24 44.848 63.763 48.467 1.00 9.82 O ATOM 1898 CG2 THR E 24 45.230 64.251 50.803 1.00 12.09 C ATOM 0 H THR E 24 45.851 65.791 47.219 1.00 11.31 H new ATOM 0 HA THR E 24 44.230 66.173 49.232 1.00 10.40 H new ATOM 0 HB THR E 24 46.523 64.522 49.226 1.00 12.96 H new ATOM 0 HG1 THR E 24 45.238 63.021 48.419 1.00 9.82 H new ATOM 0 HG21 THR E 24 45.483 63.329 50.968 1.00 12.09 H new ATOM 0 HG22 THR E 24 45.716 64.833 51.408 1.00 12.09 H new ATOM 0 HG23 THR E 24 44.277 64.355 50.951 1.00 12.09 H new ATOM 1899 N ASP E 25 45.333 67.704 50.843 1.00 10.71 N ATOM 1900 CA ASP E 25 46.010 68.652 51.728 1.00 9.70 C ATOM 1901 C ASP E 25 46.949 67.914 52.685 1.00 9.03 C ATOM 1902 O ASP E 25 46.545 66.952 53.328 1.00 6.74 O ATOM 1903 CB ASP E 25 44.961 69.454 52.511 1.00 11.02 C ATOM 1904 CG ASP E 25 45.573 70.563 53.344 1.00 12.12 C ATOM 1905 OD1 ASP E 25 45.949 70.310 54.503 1.00 11.26 O ATOM 1906 OD2 ASP E 25 45.692 71.691 52.828 1.00 14.32 O ATOM 0 H ASP E 25 44.486 67.636 50.976 1.00 10.71 H new ATOM 0 HA ASP E 25 46.544 69.262 51.196 1.00 9.70 H new ATOM 0 HB2 ASP E 25 44.322 69.837 51.890 1.00 11.02 H new ATOM 0 HB3 ASP E 25 44.468 68.854 53.091 1.00 11.02 H new ATOM 1907 N ASN E 26 48.199 68.367 52.771 1.00 7.87 N ATOM 1908 CA ASN E 26 49.192 67.731 53.633 1.00 10.00 C ATOM 1909 C ASN E 26 48.849 67.778 55.123 1.00 9.91 C ATOM 1910 O ASN E 26 49.288 66.921 55.884 1.00 10.32 O ATOM 1911 CB ASN E 26 50.578 68.369 53.439 1.00 9.75 C ATOM 1912 CG ASN E 26 51.176 68.077 52.078 1.00 10.12 C ATOM 1913 OD1 ASN E 26 50.944 67.018 51.503 1.00 10.93 O ATOM 1914 ND2 ASN E 26 51.971 69.010 51.566 1.00 10.72 N ATOM 0 H ASN E 26 48.493 69.047 52.334 1.00 7.87 H new ATOM 0 HA ASN E 26 49.195 66.800 53.361 1.00 10.00 H new ATOM 0 HB2 ASN E 26 50.506 69.329 53.556 1.00 9.75 H new ATOM 0 HB3 ASN E 26 51.178 68.043 54.128 1.00 9.75 H new ATOM 0 HD21 ASN E 26 52.346 68.884 50.803 1.00 10.72 H new ATOM 0 HD22 ASN E 26 52.110 69.740 51.998 1.00 10.72 H new ATOM 1915 N ASP E 27 48.073 68.775 55.537 1.00 8.74 N ATOM 1916 CA ASP E 27 47.721 68.923 56.950 1.00 10.39 C ATOM 1917 C ASP E 27 46.425 68.240 57.395 1.00 10.31 C ATOM 1918 O ASP E 27 46.389 67.605 58.451 1.00 8.97 O ATOM 1919 CB ASP E 27 47.624 70.408 57.317 1.00 11.71 C ATOM 1920 CG ASP E 27 48.914 71.175 57.047 1.00 15.92 C ATOM 1921 OD1 ASP E 27 49.966 70.814 57.621 1.00 18.14 O ATOM 1922 OD2 ASP E 27 48.870 72.150 56.265 1.00 16.34 O ATOM 0 H ASP E 27 47.740 69.376 55.019 1.00 8.74 H new ATOM 0 HA ASP E 27 48.440 68.470 57.418 1.00 10.39 H new ATOM 0 HB2 ASP E 27 46.901 70.814 56.813 1.00 11.71 H new ATOM 0 HB3 ASP E 27 47.396 70.489 58.256 1.00 11.71 H new ATOM 1923 N THR E 28 45.375 68.360 56.585 1.00 10.49 N ATOM 1924 CA THR E 28 44.060 67.814 56.929 1.00 10.21 C ATOM 1925 C THR E 28 43.606 66.520 56.260 1.00 10.20 C ATOM 1926 O THR E 28 42.730 65.837 56.782 1.00 10.82 O ATOM 1927 CB THR E 28 42.960 68.839 56.633 1.00 12.31 C ATOM 1928 OG1 THR E 28 42.819 68.969 55.215 1.00 9.84 O ATOM 1929 CG2 THR E 28 43.316 70.192 57.223 1.00 13.56 C ATOM 0 H THR E 28 45.403 68.758 55.823 1.00 10.49 H new ATOM 0 HA THR E 28 44.187 67.604 57.867 1.00 10.21 H new ATOM 0 HB THR E 28 42.130 68.534 57.031 1.00 12.31 H new ATOM 0 HG1 THR E 28 42.592 69.756 55.027 1.00 9.84 H new ATOM 0 HG21 THR E 28 42.610 70.827 57.026 1.00 13.56 H new ATOM 0 HG22 THR E 28 43.417 70.110 58.184 1.00 13.56 H new ATOM 0 HG23 THR E 28 44.149 70.505 56.836 1.00 13.56 H new ATOM 1930 N GLY E 29 44.175 66.188 55.109 1.00 7.44 N ATOM 1931 CA GLY E 29 43.740 64.988 54.415 1.00 7.95 C ATOM 1932 C GLY E 29 42.535 65.264 53.525 1.00 9.47 C ATOM 1933 O GLY E 29 42.005 64.360 52.878 1.00 9.09 O ATOM 0 H GLY E 29 44.800 66.633 54.721 1.00 7.44 H new ATOM 0 HA2 GLY E 29 44.469 64.642 53.877 1.00 7.95 H new ATOM 0 HA3 GLY E 29 43.515 64.302 55.063 1.00 7.95 H new HETATM 1934 N MSE E 30 42.081 66.512 53.510 1.00 8.18 N HETATM 1935 CA MSE E 30 40.946 66.909 52.672 1.00 12.13 C HETATM 1936 C MSE E 30 41.507 67.201 51.286 1.00 10.48 C HETATM 1937 O MSE E 30 42.721 67.185 51.095 1.00 12.08 O HETATM 1938 CB MSE E 30 40.307 68.200 53.195 1.00 15.02 C HETATM 1939 CG MSE E 30 39.812 68.171 54.630 1.00 19.54 C HETATM 1940 SE MSE E 30 37.979 67.590 54.796 1.00 29.61 SE HETATM 1941 CE MSE E 30 37.076 69.153 54.055 1.00 23.45 C HETATM 0 H MSE E 30 42.416 67.150 53.979 1.00 8.18 H new HETATM 0 HA MSE E 30 40.278 66.206 52.669 1.00 12.13 H new HETATM 0 HB2 MSE E 30 40.955 68.917 53.111 1.00 15.02 H new HETATM 0 HB3 MSE E 30 39.559 68.425 52.619 1.00 15.02 H new HETATM 0 HG2 MSE E 30 40.380 67.580 55.149 1.00 19.54 H new HETATM 0 HG3 MSE E 30 39.899 69.058 55.013 1.00 19.54 H new HETATM 0 HE1 MSE E 30 36.117 69.010 54.070 1.00 23.45 H new HETATM 0 HE2 MSE E 30 37.294 69.935 54.586 1.00 23.45 H new HETATM 0 HE3 MSE E 30 37.367 69.292 53.140 1.00 23.45 H new ATOM 1942 N ILE E 31 40.632 67.459 50.320 1.00 9.53 N ATOM 1943 CA ILE E 31 41.082 67.811 48.980 1.00 10.86 C ATOM 1944 C ILE E 31 41.215 69.333 48.966 1.00 12.12 C ATOM 1945 O ILE E 31 40.231 70.047 49.173 1.00 9.14 O ATOM 1946 CB ILE E 31 40.060 67.411 47.897 1.00 13.43 C ATOM 1947 CG1 ILE E 31 39.869 65.890 47.887 1.00 13.95 C ATOM 1948 CG2 ILE E 31 40.525 67.920 46.538 1.00 14.55 C ATOM 1949 CD1 ILE E 31 41.150 65.111 47.701 1.00 14.92 C ATOM 0 H ILE E 31 39.778 67.436 50.419 1.00 9.53 H new ATOM 0 HA ILE E 31 41.911 67.347 48.785 1.00 10.86 H new ATOM 0 HB ILE E 31 39.202 67.817 48.096 1.00 13.43 H new ATOM 0 HG12 ILE E 31 39.455 65.620 48.722 1.00 13.95 H new ATOM 0 HG13 ILE E 31 39.252 65.655 47.176 1.00 13.95 H new ATOM 0 HG21 ILE E 31 39.880 67.667 45.859 1.00 14.55 H new ATOM 0 HG22 ILE E 31 40.604 68.886 46.564 1.00 14.55 H new ATOM 0 HG23 ILE E 31 41.388 67.531 46.325 1.00 14.55 H new ATOM 0 HD11 ILE E 31 40.955 64.161 47.705 1.00 14.92 H new ATOM 0 HD12 ILE E 31 41.557 65.354 46.854 1.00 14.92 H new ATOM 0 HD13 ILE E 31 41.762 65.318 48.424 1.00 14.92 H new ATOM 1950 N SER E 32 42.424 69.831 48.731 1.00 12.59 N ATOM 1951 CA SER E 32 42.640 71.275 48.702 1.00 13.21 C ATOM 1952 C SER E 32 42.668 71.801 47.274 1.00 13.84 C ATOM 1953 O SER E 32 43.209 71.160 46.375 1.00 12.62 O ATOM 1954 CB SER E 32 43.951 71.635 49.403 1.00 15.89 C ATOM 1955 OG SER E 32 45.060 71.054 48.744 1.00 18.71 O ATOM 0 H SER E 32 43.127 69.357 48.587 1.00 12.59 H new ATOM 0 HA SER E 32 41.899 71.690 49.170 1.00 13.21 H new ATOM 0 HB2 SER E 32 44.054 72.599 49.426 1.00 15.89 H new ATOM 0 HB3 SER E 32 43.923 71.331 50.324 1.00 15.89 H new ATOM 0 HG SER E 32 44.890 70.251 48.565 1.00 18.71 H new ATOM 1956 N TYR E 33 42.087 72.979 47.070 1.00 15.22 N ATOM 1957 CA TYR E 33 42.056 73.582 45.746 1.00 17.13 C ATOM 1958 C TYR E 33 41.812 75.082 45.832 1.00 17.71 C ATOM 1959 O TYR E 33 41.473 75.606 46.892 1.00 16.43 O ATOM 1960 CB TYR E 33 40.961 72.940 44.892 1.00 17.16 C ATOM 1961 CG TYR E 33 39.555 73.245 45.366 1.00 17.01 C ATOM 1962 CD1 TYR E 33 38.990 72.557 46.436 1.00 17.00 C ATOM 1963 CD2 TYR E 33 38.792 74.229 44.740 1.00 18.54 C ATOM 1964 CE1 TYR E 33 37.691 72.840 46.872 1.00 16.99 C ATOM 1965 CE2 TYR E 33 37.500 74.520 45.167 1.00 17.66 C ATOM 1966 CZ TYR E 33 36.955 73.824 46.228 1.00 18.98 C ATOM 1967 OH TYR E 33 35.676 74.112 46.637 1.00 21.39 O ATOM 0 H TYR E 33 41.706 73.444 47.685 1.00 15.22 H new ATOM 0 HA TYR E 33 42.920 73.429 45.333 1.00 17.13 H new ATOM 0 HB2 TYR E 33 41.057 73.244 43.976 1.00 17.16 H new ATOM 0 HB3 TYR E 33 41.090 71.979 44.886 1.00 17.16 H new ATOM 0 HD1 TYR E 33 39.484 71.898 46.868 1.00 17.00 H new ATOM 0 HD2 TYR E 33 39.153 74.700 44.024 1.00 18.54 H new ATOM 0 HE1 TYR E 33 37.324 72.373 47.587 1.00 16.99 H new ATOM 0 HE2 TYR E 33 37.005 75.181 44.739 1.00 17.66 H new ATOM 0 HH TYR E 33 35.360 74.725 46.158 1.00 21.39 H new ATOM 1968 N LYS E 34 41.997 75.766 44.709 1.00 20.76 N ATOM 1969 CA LYS E 34 41.771 77.204 44.638 1.00 26.08 C ATOM 1970 C LYS E 34 40.605 77.417 43.679 1.00 26.91 C ATOM 1971 O LYS E 34 40.592 76.855 42.584 1.00 25.40 O ATOM 1972 CB LYS E 34 43.028 77.919 44.125 1.00 28.47 C ATOM 1973 CG LYS E 34 44.197 77.867 45.105 1.00 32.70 C ATOM 1974 CD LYS E 34 45.500 78.413 44.520 1.00 35.33 C ATOM 1975 CE LYS E 34 45.460 79.918 44.296 1.00 36.22 C ATOM 1976 NZ LYS E 34 44.569 80.309 43.172 1.00 38.79 N ATOM 0 H LYS E 34 42.256 75.411 43.970 1.00 20.76 H new ATOM 0 HA LYS E 34 41.570 77.569 45.514 1.00 26.08 H new ATOM 0 HB2 LYS E 34 43.301 77.517 43.285 1.00 28.47 H new ATOM 0 HB3 LYS E 34 42.812 78.846 43.939 1.00 28.47 H new ATOM 0 HG2 LYS E 34 43.968 78.375 45.899 1.00 32.70 H new ATOM 0 HG3 LYS E 34 44.335 76.949 45.386 1.00 32.70 H new ATOM 0 HD2 LYS E 34 46.233 78.198 45.118 1.00 35.33 H new ATOM 0 HD3 LYS E 34 45.682 77.969 43.677 1.00 35.33 H new ATOM 0 HE2 LYS E 34 45.159 80.354 45.109 1.00 36.22 H new ATOM 0 HE3 LYS E 34 46.358 80.238 44.118 1.00 36.22 H new ATOM 0 HZ1 LYS E 34 44.884 81.047 42.786 1.00 38.79 H new ATOM 0 HZ2 LYS E 34 44.540 79.651 42.573 1.00 38.79 H new ATOM 0 HZ3 LYS E 34 43.749 80.463 43.483 1.00 38.79 H new ATOM 1977 N ASP E 35 39.617 78.204 44.095 1.00 29.31 N ATOM 1978 CA ASP E 35 38.460 78.462 43.245 1.00 31.88 C ATOM 1979 C ASP E 35 38.808 79.440 42.131 1.00 34.01 C ATOM 1980 O ASP E 35 39.930 79.943 42.065 1.00 33.75 O ATOM 1981 CB ASP E 35 37.287 79.008 44.067 1.00 32.94 C ATOM 1982 CG ASP E 35 37.667 80.211 44.905 1.00 33.32 C ATOM 1983 OD1 ASP E 35 38.413 81.078 44.407 1.00 35.12 O ATOM 1984 OD2 ASP E 35 37.207 80.295 46.062 1.00 34.17 O ATOM 0 H ASP E 35 39.597 78.596 44.860 1.00 29.31 H new ATOM 0 HA ASP E 35 38.196 77.618 42.847 1.00 31.88 H new ATOM 0 HB2 ASP E 35 36.564 79.252 43.468 1.00 32.94 H new ATOM 0 HB3 ASP E 35 36.951 78.308 44.648 1.00 32.94 H new ATOM 1985 N ALA E 36 37.836 79.705 41.264 1.00 36.50 N ATOM 1986 CA ALA E 36 38.018 80.610 40.135 1.00 39.71 C ATOM 1987 C ALA E 36 38.433 82.014 40.561 1.00 41.21 C ATOM 1988 O ALA E 36 38.940 82.790 39.752 1.00 42.43 O ATOM 1989 CB ALA E 36 36.733 80.676 39.315 1.00 40.90 C ATOM 0 H ALA E 36 37.049 79.363 41.315 1.00 36.50 H new ATOM 0 HA ALA E 36 38.742 80.252 39.597 1.00 39.71 H new ATOM 0 HB1 ALA E 36 36.858 81.279 38.565 1.00 40.90 H new ATOM 0 HB2 ALA E 36 36.514 79.791 38.985 1.00 40.90 H new ATOM 0 HB3 ALA E 36 36.009 81.001 39.873 1.00 40.90 H new ATOM 1990 N ASN E 37 38.215 82.341 41.828 1.00 42.80 N ATOM 1991 CA ASN E 37 38.576 83.659 42.337 1.00 43.67 C ATOM 1992 C ASN E 37 40.028 83.656 42.799 1.00 43.65 C ATOM 1993 O ASN E 37 40.814 84.525 42.419 1.00 44.86 O ATOM 1994 CB ASN E 37 37.666 84.040 43.507 1.00 45.97 C ATOM 1995 CG ASN E 37 36.195 83.874 43.180 1.00 47.44 C ATOM 1996 OD1 ASN E 37 35.734 82.771 42.885 1.00 49.29 O ATOM 1997 ND2 ASN E 37 35.448 84.970 43.230 1.00 47.80 N ATOM 0 H ASN E 37 37.860 81.816 42.409 1.00 42.80 H new ATOM 0 HA ASN E 37 38.466 84.309 41.626 1.00 43.67 H new ATOM 0 HB2 ASN E 37 37.887 83.491 44.276 1.00 45.97 H new ATOM 0 HB3 ASN E 37 37.836 84.961 43.758 1.00 45.97 H new ATOM 0 HD21 ASN E 37 34.608 84.926 43.052 1.00 47.80 H new ATOM 0 HD22 ASN E 37 35.804 85.724 43.440 1.00 47.80 H new ATOM 1998 N GLY E 38 40.377 82.668 43.618 1.00 41.84 N ATOM 1999 CA GLY E 38 41.732 82.567 44.127 1.00 38.97 C ATOM 2000 C GLY E 38 41.762 82.202 45.599 1.00 36.92 C ATOM 2001 O GLY E 38 42.830 82.086 46.198 1.00 37.69 O ATOM 0 H GLY E 38 39.843 82.050 43.888 1.00 41.84 H new ATOM 0 HA2 GLY E 38 42.218 81.899 43.619 1.00 38.97 H new ATOM 0 HA3 GLY E 38 42.190 83.412 43.995 1.00 38.97 H new ATOM 2002 N ASN E 39 40.584 82.018 46.185 1.00 33.83 N ATOM 2003 CA ASN E 39 40.477 81.664 47.596 1.00 32.11 C ATOM 2004 C ASN E 39 40.937 80.226 47.815 1.00 29.37 C ATOM 2005 O ASN E 39 40.742 79.371 46.956 1.00 27.26 O ATOM 2006 CB ASN E 39 39.027 81.807 48.073 1.00 34.52 C ATOM 2007 CG ASN E 39 38.471 83.207 47.862 1.00 36.02 C ATOM 2008 OD1 ASN E 39 38.959 84.180 48.441 1.00 37.84 O ATOM 2009 ND2 ASN E 39 37.443 83.312 47.027 1.00 36.11 N ATOM 0 H ASN E 39 39.829 82.094 45.780 1.00 33.83 H new ATOM 0 HA ASN E 39 41.043 82.266 48.104 1.00 32.11 H new ATOM 0 HB2 ASN E 39 38.471 81.168 47.600 1.00 34.52 H new ATOM 0 HB3 ASN E 39 38.978 81.583 49.015 1.00 34.52 H new ATOM 0 HD21 ASN E 39 37.091 84.081 46.872 1.00 36.11 H new ATOM 0 HD22 ASN E 39 37.129 82.610 46.641 1.00 36.11 H new ATOM 2010 N LYS E 40 41.555 79.968 48.963 1.00 28.17 N ATOM 2011 CA LYS E 40 42.018 78.625 49.293 1.00 26.77 C ATOM 2012 C LYS E 40 40.830 77.856 49.862 1.00 24.81 C ATOM 2013 O LYS E 40 40.242 78.266 50.861 1.00 23.55 O ATOM 2014 CB LYS E 40 43.146 78.689 50.325 1.00 29.99 C ATOM 2015 CG LYS E 40 44.412 79.385 49.835 1.00 32.50 C ATOM 2016 CD LYS E 40 45.033 78.638 48.661 1.00 37.16 C ATOM 2017 CE LYS E 40 46.399 79.204 48.280 1.00 38.63 C ATOM 2018 NZ LYS E 40 46.331 80.596 47.753 1.00 40.75 N ATOM 0 H LYS E 40 41.716 80.559 49.566 1.00 28.17 H new ATOM 0 HA LYS E 40 42.364 78.183 48.502 1.00 26.77 H new ATOM 0 HB2 LYS E 40 42.821 79.150 51.114 1.00 29.99 H new ATOM 0 HB3 LYS E 40 43.372 77.786 50.597 1.00 29.99 H new ATOM 0 HG2 LYS E 40 44.202 80.294 49.569 1.00 32.50 H new ATOM 0 HG3 LYS E 40 45.053 79.443 50.560 1.00 32.50 H new ATOM 0 HD2 LYS E 40 45.125 77.699 48.888 1.00 37.16 H new ATOM 0 HD3 LYS E 40 44.438 78.688 47.896 1.00 37.16 H new ATOM 0 HE2 LYS E 40 46.978 79.187 49.058 1.00 38.63 H new ATOM 0 HE3 LYS E 40 46.805 78.631 47.611 1.00 38.63 H new ATOM 0 HZ1 LYS E 40 47.017 80.740 47.205 1.00 40.75 H new ATOM 0 HZ2 LYS E 40 45.568 80.708 47.309 1.00 40.75 H new ATOM 0 HZ3 LYS E 40 46.367 81.172 48.430 1.00 40.75 H new ATOM 2019 N GLN E 41 40.478 76.746 49.219 1.00 22.08 N ATOM 2020 CA GLN E 41 39.343 75.933 49.646 1.00 19.39 C ATOM 2021 C GLN E 41 39.740 74.491 49.951 1.00 18.46 C ATOM 2022 O GLN E 41 40.809 74.026 49.553 1.00 16.13 O ATOM 2023 CB GLN E 41 38.280 75.897 48.544 1.00 21.88 C ATOM 2024 CG GLN E 41 37.738 77.239 48.079 1.00 26.94 C ATOM 2025 CD GLN E 41 36.695 77.806 49.011 1.00 28.50 C ATOM 2026 OE1 GLN E 41 35.910 77.067 49.604 1.00 30.16 O ATOM 2027 NE2 GLN E 41 36.671 79.127 49.137 1.00 33.01 N ATOM 0 H GLN E 41 40.888 76.444 48.526 1.00 22.08 H new ATOM 0 HA GLN E 41 39.001 76.343 50.456 1.00 19.39 H new ATOM 0 HB2 GLN E 41 38.655 75.438 47.776 1.00 21.88 H new ATOM 0 HB3 GLN E 41 37.535 75.361 48.858 1.00 21.88 H new ATOM 0 HG2 GLN E 41 38.471 77.869 48.000 1.00 26.94 H new ATOM 0 HG3 GLN E 41 37.354 77.138 47.194 1.00 26.94 H new ATOM 0 HE21 GLN E 41 37.237 79.610 48.706 1.00 33.01 H new ATOM 0 HE22 GLN E 41 36.090 79.500 49.650 1.00 33.01 H new ATOM 2028 N GLN E 42 38.850 73.785 50.640 1.00 15.24 N ATOM 2029 CA GLN E 42 39.049 72.383 50.971 1.00 15.57 C ATOM 2030 C GLN E 42 37.698 71.686 50.973 1.00 15.08 C ATOM 2031 O GLN E 42 36.709 72.236 51.460 1.00 14.95 O ATOM 2032 CB GLN E 42 39.728 72.226 52.337 1.00 16.67 C ATOM 2033 CG GLN E 42 41.226 72.498 52.306 1.00 18.32 C ATOM 2034 CD GLN E 42 41.922 72.166 53.614 1.00 21.61 C ATOM 2035 OE1 GLN E 42 41.781 71.067 54.147 1.00 22.09 O ATOM 2036 NE2 GLN E 42 42.688 73.116 54.132 1.00 23.64 N ATOM 0 H GLN E 42 38.109 74.110 50.930 1.00 15.24 H new ATOM 0 HA GLN E 42 39.631 71.980 50.308 1.00 15.57 H new ATOM 0 HB2 GLN E 42 39.310 72.831 52.969 1.00 16.67 H new ATOM 0 HB3 GLN E 42 39.577 71.325 52.664 1.00 16.67 H new ATOM 0 HG2 GLN E 42 41.628 71.979 51.592 1.00 18.32 H new ATOM 0 HG3 GLN E 42 41.375 73.433 52.096 1.00 18.32 H new ATOM 0 HE21 GLN E 42 42.764 73.873 53.732 1.00 23.64 H new ATOM 0 HE22 GLN E 42 43.109 72.975 54.868 1.00 23.64 H new ATOM 2037 N ILE E 43 37.657 70.490 50.397 1.00 14.04 N ATOM 2038 CA ILE E 43 36.430 69.700 50.339 1.00 12.68 C ATOM 2039 C ILE E 43 36.773 68.248 50.628 1.00 11.59 C ATOM 2040 O ILE E 43 37.789 67.740 50.159 1.00 12.53 O ATOM 2041 CB ILE E 43 35.747 69.784 48.945 1.00 12.50 C ATOM 2042 CG1 ILE E 43 34.432 69.005 48.965 1.00 12.59 C ATOM 2043 CG2 ILE E 43 36.659 69.210 47.870 1.00 13.00 C ATOM 2044 CD1 ILE E 43 33.566 69.227 47.731 1.00 16.23 C ATOM 0 H ILE E 43 38.337 70.113 50.029 1.00 14.04 H new ATOM 0 HA ILE E 43 35.812 70.056 50.997 1.00 12.68 H new ATOM 0 HB ILE E 43 35.570 70.716 48.743 1.00 12.50 H new ATOM 0 HG12 ILE E 43 34.628 68.058 49.046 1.00 12.59 H new ATOM 0 HG13 ILE E 43 33.928 69.259 49.754 1.00 12.59 H new ATOM 0 HG21 ILE E 43 36.220 69.269 47.007 1.00 13.00 H new ATOM 0 HG22 ILE E 43 37.488 69.714 47.846 1.00 13.00 H new ATOM 0 HG23 ILE E 43 36.852 68.281 48.071 1.00 13.00 H new ATOM 0 HD11 ILE E 43 32.752 68.706 47.809 1.00 16.23 H new ATOM 0 HD12 ILE E 43 33.342 70.168 47.658 1.00 16.23 H new ATOM 0 HD13 ILE E 43 34.053 68.949 46.939 1.00 16.23 H new ATOM 2045 N ASN E 44 35.926 67.584 51.407 1.00 10.95 N ATOM 2046 CA ASN E 44 36.147 66.182 51.759 1.00 9.60 C ATOM 2047 C ASN E 44 36.120 65.326 50.494 1.00 9.95 C ATOM 2048 O ASN E 44 35.200 65.435 49.690 1.00 10.55 O ATOM 2049 CB ASN E 44 35.059 65.709 52.726 1.00 9.05 C ATOM 2050 CG ASN E 44 35.427 64.416 53.436 1.00 7.65 C ATOM 2051 OD1 ASN E 44 35.785 63.425 52.804 1.00 8.71 O ATOM 2052 ND2 ASN E 44 35.333 64.424 54.760 1.00 6.02 N ATOM 0 H ASN E 44 35.213 67.927 51.744 1.00 10.95 H new ATOM 0 HA ASN E 44 37.012 66.094 52.189 1.00 9.60 H new ATOM 0 HB2 ASN E 44 34.895 66.401 53.386 1.00 9.05 H new ATOM 0 HB3 ASN E 44 34.231 65.581 52.238 1.00 9.05 H new ATOM 0 HD21 ASN E 44 35.526 63.717 55.209 1.00 6.02 H new ATOM 0 HD22 ASN E 44 35.079 65.137 55.169 1.00 6.02 H new ATOM 2053 N ARG E 45 37.121 64.471 50.312 1.00 9.60 N ATOM 2054 CA ARG E 45 37.167 63.625 49.121 1.00 11.71 C ATOM 2055 C ARG E 45 35.889 62.803 48.960 1.00 12.32 C ATOM 2056 O ARG E 45 35.447 62.539 47.845 1.00 12.43 O ATOM 2057 CB ARG E 45 38.383 62.688 49.167 1.00 12.63 C ATOM 2058 CG ARG E 45 38.570 61.837 47.906 1.00 15.59 C ATOM 2059 CD ARG E 45 39.913 61.108 47.932 1.00 18.87 C ATOM 2060 NE ARG E 45 40.172 60.623 49.279 1.00 26.07 N ATOM 2061 CZ ARG E 45 41.182 61.017 50.041 1.00 19.81 C ATOM 2062 NH1 ARG E 45 42.061 61.903 49.593 1.00 23.41 N ATOM 2063 NH2 ARG E 45 41.284 60.548 51.270 1.00 20.11 N ATOM 0 H ARG E 45 37.777 64.365 50.858 1.00 9.60 H new ATOM 0 HA ARG E 45 37.246 64.215 48.355 1.00 11.71 H new ATOM 0 HB2 ARG E 45 39.182 63.219 49.308 1.00 12.63 H new ATOM 0 HB3 ARG E 45 38.295 62.099 49.932 1.00 12.63 H new ATOM 0 HG2 ARG E 45 37.849 61.192 47.837 1.00 15.59 H new ATOM 0 HG3 ARG E 45 38.520 62.403 47.120 1.00 15.59 H new ATOM 0 HD2 ARG E 45 39.902 60.366 47.307 1.00 18.87 H new ATOM 0 HD3 ARG E 45 40.623 61.706 47.651 1.00 18.87 H new ATOM 0 HE ARG E 45 39.631 60.039 49.604 1.00 26.07 H new ATOM 0 HH11 ARG E 45 41.979 62.228 48.801 1.00 23.41 H new ATOM 0 HH12 ARG E 45 42.713 62.153 50.095 1.00 23.41 H new ATOM 0 HH21 ARG E 45 40.699 59.993 51.568 1.00 20.11 H new ATOM 0 HH22 ARG E 45 41.936 60.797 51.773 1.00 20.11 H new ATOM 2064 N THR E 46 35.291 62.412 50.079 1.00 13.06 N ATOM 2065 CA THR E 46 34.067 61.620 50.048 1.00 13.38 C ATOM 2066 C THR E 46 32.961 62.316 49.262 1.00 13.82 C ATOM 2067 O THR E 46 32.089 61.663 48.692 1.00 13.29 O ATOM 2068 CB THR E 46 33.554 61.348 51.480 1.00 14.21 C ATOM 2069 OG1 THR E 46 34.553 60.630 52.215 1.00 17.88 O ATOM 2070 CG2 THR E 46 32.274 60.523 51.445 1.00 18.51 C ATOM 0 H THR E 46 35.578 62.595 50.869 1.00 13.06 H new ATOM 0 HA THR E 46 34.288 60.784 49.609 1.00 13.38 H new ATOM 0 HB THR E 46 33.369 62.198 51.909 1.00 14.21 H new ATOM 0 HG1 THR E 46 34.376 60.664 53.035 1.00 17.88 H new ATOM 0 HG21 THR E 46 31.967 60.362 52.351 1.00 18.51 H new ATOM 0 HG22 THR E 46 31.591 61.006 50.954 1.00 18.51 H new ATOM 0 HG23 THR E 46 32.447 59.675 51.008 1.00 18.51 H new ATOM 2071 N ASP E 47 33.012 63.643 49.224 1.00 13.58 N ATOM 2072 CA ASP E 47 31.996 64.427 48.527 1.00 15.58 C ATOM 2073 C ASP E 47 32.329 64.720 47.062 1.00 17.06 C ATOM 2074 O ASP E 47 31.567 65.395 46.370 1.00 17.04 O ATOM 2075 CB ASP E 47 31.753 65.733 49.294 1.00 18.72 C ATOM 2076 CG ASP E 47 30.505 66.463 48.834 1.00 24.35 C ATOM 2077 OD1 ASP E 47 29.547 65.791 48.390 1.00 24.60 O ATOM 2078 OD2 ASP E 47 30.478 67.709 48.936 1.00 26.39 O ATOM 0 H ASP E 47 33.629 64.111 49.597 1.00 13.58 H new ATOM 0 HA ASP E 47 31.190 63.887 48.505 1.00 15.58 H new ATOM 0 HB2 ASP E 47 31.677 65.537 50.241 1.00 18.72 H new ATOM 0 HB3 ASP E 47 32.521 66.315 49.185 1.00 18.72 H new ATOM 2079 N VAL E 48 33.461 64.211 46.587 1.00 15.37 N ATOM 2080 CA VAL E 48 33.853 64.423 45.195 1.00 15.65 C ATOM 2081 C VAL E 48 33.682 63.119 44.422 1.00 16.26 C ATOM 2082 O VAL E 48 34.373 62.133 44.689 1.00 14.95 O ATOM 2083 CB VAL E 48 35.320 64.872 45.080 1.00 15.61 C ATOM 2084 CG1 VAL E 48 35.647 65.188 43.624 1.00 15.18 C ATOM 2085 CG2 VAL E 48 35.560 66.085 45.956 1.00 14.57 C ATOM 0 H VAL E 48 34.014 63.743 47.050 1.00 15.37 H new ATOM 0 HA VAL E 48 33.288 65.121 44.829 1.00 15.65 H new ATOM 0 HB VAL E 48 35.901 64.156 45.382 1.00 15.61 H new ATOM 0 HG11 VAL E 48 36.572 65.471 43.554 1.00 15.18 H new ATOM 0 HG12 VAL E 48 35.510 64.395 43.082 1.00 15.18 H new ATOM 0 HG13 VAL E 48 35.067 65.899 43.309 1.00 15.18 H new ATOM 0 HG21 VAL E 48 36.486 66.362 45.878 1.00 14.57 H new ATOM 0 HG22 VAL E 48 34.981 66.810 45.671 1.00 14.57 H new ATOM 0 HG23 VAL E 48 35.366 65.861 46.880 1.00 14.57 H new ATOM 2086 N LYS E 49 32.772 63.118 43.453 1.00 15.07 N ATOM 2087 CA LYS E 49 32.507 61.917 42.667 1.00 15.78 C ATOM 2088 C LYS E 49 33.465 61.743 41.502 1.00 14.57 C ATOM 2089 O LYS E 49 33.996 60.656 41.283 1.00 13.60 O ATOM 2090 CB LYS E 49 31.070 61.937 42.131 1.00 20.06 C ATOM 2091 CG LYS E 49 30.702 60.681 41.341 1.00 25.46 C ATOM 2092 CD LYS E 49 29.220 60.625 40.983 1.00 31.83 C ATOM 2093 CE LYS E 49 28.826 61.689 39.963 1.00 33.90 C ATOM 2094 NZ LYS E 49 28.807 63.057 40.549 1.00 38.17 N ATOM 0 H LYS E 49 32.298 63.801 43.235 1.00 15.07 H new ATOM 0 HA LYS E 49 32.636 61.167 43.268 1.00 15.78 H new ATOM 0 HB2 LYS E 49 30.455 62.035 42.875 1.00 20.06 H new ATOM 0 HB3 LYS E 49 30.954 62.715 41.563 1.00 20.06 H new ATOM 0 HG2 LYS E 49 31.229 60.649 40.527 1.00 25.46 H new ATOM 0 HG3 LYS E 49 30.935 59.896 41.861 1.00 25.46 H new ATOM 0 HD2 LYS E 49 29.009 59.747 40.629 1.00 31.83 H new ATOM 0 HD3 LYS E 49 28.691 60.741 41.788 1.00 31.83 H new ATOM 0 HE2 LYS E 49 29.449 61.667 39.219 1.00 33.90 H new ATOM 0 HE3 LYS E 49 27.949 61.481 39.605 1.00 33.90 H new ATOM 0 HZ1 LYS E 49 28.134 63.521 40.198 1.00 38.17 H new ATOM 0 HZ2 LYS E 49 28.700 63.001 41.431 1.00 38.17 H new ATOM 0 HZ3 LYS E 49 29.576 63.468 40.370 1.00 38.17 H new ATOM 2095 N GLU E 50 33.669 62.815 40.748 1.00 14.60 N ATOM 2096 CA GLU E 50 34.551 62.767 39.589 1.00 16.81 C ATOM 2097 C GLU E 50 35.309 64.075 39.419 1.00 16.71 C ATOM 2098 O GLU E 50 35.010 65.071 40.076 1.00 16.57 O ATOM 2099 CB GLU E 50 33.733 62.483 38.323 1.00 18.43 C ATOM 2100 CG GLU E 50 32.961 61.172 38.360 1.00 24.15 C ATOM 2101 CD GLU E 50 32.089 60.962 37.128 1.00 27.63 C ATOM 2102 OE1 GLU E 50 31.159 61.767 36.907 1.00 28.47 O ATOM 2103 OE2 GLU E 50 32.336 59.991 36.381 1.00 28.62 O ATOM 0 H GLU E 50 33.306 63.582 40.890 1.00 14.60 H new ATOM 0 HA GLU E 50 35.195 62.056 39.732 1.00 16.81 H new ATOM 0 HB2 GLU E 50 33.107 63.211 38.184 1.00 18.43 H new ATOM 0 HB3 GLU E 50 34.331 62.473 37.559 1.00 18.43 H new ATOM 0 HG2 GLU E 50 33.587 60.435 38.437 1.00 24.15 H new ATOM 0 HG3 GLU E 50 32.403 61.153 39.153 1.00 24.15 H new HETATM 2104 N MSE E 51 36.289 64.066 38.524 1.00 18.49 N HETATM 2105 CA MSE E 51 37.091 65.248 38.265 1.00 19.43 C HETATM 2106 C MSE E 51 37.721 65.114 36.882 1.00 21.07 C HETATM 2107 O MSE E 51 38.012 64.006 36.433 1.00 17.20 O HETATM 2108 CB MSE E 51 38.184 65.360 39.324 1.00 24.03 C HETATM 2109 CG MSE E 51 38.902 66.684 39.363 1.00 29.30 C HETATM 2110 SE MSE E 51 40.268 66.642 40.727 1.00 37.76 SE HETATM 2111 CE MSE E 51 39.172 66.304 42.279 1.00 33.60 C HETATM 0 H MSE E 51 36.505 63.379 38.054 1.00 18.49 H new HETATM 0 HA MSE E 51 36.537 66.044 38.298 1.00 19.43 H new HETATM 0 HB2 MSE E 51 37.789 65.196 40.195 1.00 24.03 H new HETATM 0 HB3 MSE E 51 38.836 64.658 39.171 1.00 24.03 H new HETATM 0 HG2 MSE E 51 39.301 66.871 38.499 1.00 29.30 H new HETATM 0 HG3 MSE E 51 38.272 67.399 39.546 1.00 29.30 H new HETATM 0 HE1 MSE E 51 39.734 66.255 43.068 1.00 33.60 H new HETATM 0 HE2 MSE E 51 38.530 67.023 42.385 1.00 33.60 H new HETATM 0 HE3 MSE E 51 38.700 65.464 42.166 1.00 33.60 H new ATOM 2112 N VAL E 52 37.930 66.241 36.207 1.00 22.44 N ATOM 2113 CA VAL E 52 38.535 66.215 34.880 1.00 25.81 C ATOM 2114 C VAL E 52 39.092 67.569 34.462 1.00 26.33 C ATOM 2115 O VAL E 52 38.558 68.615 34.832 1.00 23.64 O ATOM 2116 CB VAL E 52 37.526 65.762 33.802 1.00 26.87 C ATOM 2117 CG1 VAL E 52 36.401 66.777 33.678 1.00 27.30 C ATOM 2118 CG2 VAL E 52 38.240 65.591 32.468 1.00 27.47 C ATOM 0 H VAL E 52 37.730 67.025 36.497 1.00 22.44 H new ATOM 0 HA VAL E 52 39.264 65.578 34.945 1.00 25.81 H new ATOM 0 HB VAL E 52 37.142 64.910 34.063 1.00 26.87 H new ATOM 0 HG11 VAL E 52 35.773 66.483 32.999 1.00 27.30 H new ATOM 0 HG12 VAL E 52 35.942 66.857 34.529 1.00 27.30 H new ATOM 0 HG13 VAL E 52 36.769 67.639 33.427 1.00 27.30 H new ATOM 0 HG21 VAL E 52 37.603 65.307 31.794 1.00 27.47 H new ATOM 0 HG22 VAL E 52 38.636 66.436 32.202 1.00 27.47 H new ATOM 0 HG23 VAL E 52 38.936 64.922 32.557 1.00 27.47 H new ATOM 2119 N ALA E 53 40.173 67.536 33.688 1.00 28.27 N ATOM 2120 CA ALA E 53 40.808 68.752 33.200 1.00 31.65 C ATOM 2121 C ALA E 53 39.981 69.356 32.072 1.00 34.28 C ATOM 2122 O ALA E 53 39.281 68.641 31.353 1.00 33.01 O ATOM 2123 CB ALA E 53 42.213 68.444 32.705 1.00 31.84 C ATOM 0 H ALA E 53 40.557 66.810 33.433 1.00 28.27 H new ATOM 0 HA ALA E 53 40.863 69.391 33.928 1.00 31.65 H new ATOM 0 HB1 ALA E 53 42.628 69.259 32.382 1.00 31.84 H new ATOM 0 HB2 ALA E 53 42.740 68.080 33.433 1.00 31.84 H new ATOM 0 HB3 ALA E 53 42.168 67.797 31.984 1.00 31.84 H new ATOM 2124 N LEU E 54 40.070 70.674 31.925 1.00 37.70 N ATOM 2125 CA LEU E 54 39.335 71.388 30.888 1.00 41.19 C ATOM 2126 C LEU E 54 40.294 72.018 29.881 1.00 43.94 C ATOM 2127 O LEU E 54 41.514 71.959 30.050 1.00 43.31 O ATOM 2128 CB LEU E 54 38.472 72.480 31.522 1.00 41.74 C ATOM 2129 CG LEU E 54 37.481 72.039 32.603 1.00 41.67 C ATOM 2130 CD1 LEU E 54 36.843 73.263 33.232 1.00 43.18 C ATOM 2131 CD2 LEU E 54 36.423 71.128 32.000 1.00 42.83 C ATOM 0 H LEU E 54 40.557 71.178 32.423 1.00 37.70 H new ATOM 0 HA LEU E 54 38.768 70.753 30.423 1.00 41.19 H new ATOM 0 HB2 LEU E 54 39.063 73.146 31.907 1.00 41.74 H new ATOM 0 HB3 LEU E 54 37.973 72.919 30.815 1.00 41.74 H new ATOM 0 HG LEU E 54 37.951 71.543 33.291 1.00 41.67 H new ATOM 0 HD11 LEU E 54 36.215 72.985 33.917 1.00 43.18 H new ATOM 0 HD12 LEU E 54 37.531 73.818 33.631 1.00 43.18 H new ATOM 0 HD13 LEU E 54 36.374 73.770 32.551 1.00 43.18 H new ATOM 0 HD21 LEU E 54 35.800 70.854 32.691 1.00 42.83 H new ATOM 0 HD22 LEU E 54 35.944 71.604 31.304 1.00 42.83 H new ATOM 0 HD23 LEU E 54 36.849 70.344 31.620 1.00 42.83 H new ATOM 2132 N GLU E 55 39.734 72.616 28.833 1.00 47.54 N ATOM 2133 CA GLU E 55 40.530 73.268 27.796 1.00 51.33 C ATOM 2134 C GLU E 55 40.486 74.773 28.053 1.00 53.22 C ATOM 2135 O GLU E 55 40.407 75.206 29.204 1.00 53.95 O ATOM 2136 CB GLU E 55 39.950 72.950 26.411 1.00 51.98 C ATOM 2137 CG GLU E 55 40.990 72.708 25.319 1.00 54.09 C ATOM 2138 CD GLU E 55 41.744 73.965 24.917 1.00 54.99 C ATOM 2139 OE1 GLU E 55 41.106 74.904 24.394 1.00 55.06 O ATOM 2140 OE2 GLU E 55 42.977 74.010 25.115 1.00 56.46 O ATOM 0 H GLU E 55 38.885 72.655 28.703 1.00 47.54 H new ATOM 0 HA GLU E 55 41.446 72.949 27.819 1.00 51.33 H new ATOM 0 HB2 GLU E 55 39.387 72.163 26.483 1.00 51.98 H new ATOM 0 HB3 GLU E 55 39.378 73.684 26.138 1.00 51.98 H new ATOM 0 HG2 GLU E 55 41.625 72.043 25.627 1.00 54.09 H new ATOM 0 HG3 GLU E 55 40.549 72.339 24.538 1.00 54.09 H new ATOM 2141 N ASN E 56 40.536 75.570 26.990 1.00 55.26 N ATOM 2142 CA ASN E 56 40.491 77.023 27.130 1.00 57.23 C ATOM 2143 C ASN E 56 39.059 77.539 27.033 1.00 57.96 C ATOM 2144 O ASN E 56 38.583 78.136 28.022 1.00 59.00 O ATOM 2145 CB ASN E 56 41.350 77.692 26.053 1.00 57.12 C ATOM 2146 CG ASN E 56 42.837 77.462 26.264 1.00 57.83 C ATOM 2147 OD1 ASN E 56 43.183 76.751 27.333 1.00 57.03 O flip ATOM 2148 ND2 ASN E 56 43.663 77.920 25.476 1.00 58.04 N flip ATOM 0 H ASN E 56 40.596 75.290 26.179 1.00 55.26 H new ATOM 0 HA ASN E 56 40.843 77.246 28.006 1.00 57.23 H new ATOM 0 HB2 ASN E 56 41.094 77.351 25.182 1.00 57.12 H new ATOM 0 HB3 ASN E 56 41.171 78.645 26.048 1.00 57.12 H new ATOM 0 HD21 ASN E 56 43.401 78.375 24.795 1.00 58.04 H new ATOM 0 HD22 ASN E 56 44.502 77.785 25.606 1.00 58.04 H new TER 2149 ASN E 56 ATOM 2150 N GLY F 3 55.034 63.366 28.528 1.00 39.61 N ATOM 2151 CA GLY F 3 54.994 64.737 27.944 1.00 37.90 C ATOM 2152 C GLY F 3 56.309 65.473 28.105 1.00 36.77 C ATOM 2153 O GLY F 3 57.275 65.174 27.399 1.00 38.39 O ATOM 0 HA2 GLY F 3 54.773 64.678 27.001 1.00 37.90 H new ATOM 0 HA3 GLY F 3 54.287 65.247 28.370 1.00 37.90 H new ATOM 2154 N PRO F 4 56.378 66.447 29.027 1.00 35.09 N ATOM 2155 CA PRO F 4 57.603 67.214 29.258 1.00 32.81 C ATOM 2156 C PRO F 4 58.746 66.310 29.698 1.00 29.91 C ATOM 2157 O PRO F 4 58.539 65.335 30.421 1.00 29.92 O ATOM 2158 CB PRO F 4 57.187 68.212 30.336 1.00 33.36 C ATOM 2159 CG PRO F 4 56.145 67.467 31.096 1.00 35.83 C ATOM 2160 CD PRO F 4 55.335 66.826 29.994 1.00 34.97 C ATOM 0 HA PRO F 4 57.943 67.654 28.464 1.00 32.81 H new ATOM 0 HB2 PRO F 4 57.934 68.462 30.902 1.00 33.36 H new ATOM 0 HB3 PRO F 4 56.835 69.030 29.952 1.00 33.36 H new ATOM 0 HG2 PRO F 4 56.534 66.806 31.690 1.00 35.83 H new ATOM 0 HG3 PRO F 4 55.605 68.058 31.644 1.00 35.83 H new ATOM 0 HD2 PRO F 4 54.837 66.056 30.311 1.00 34.97 H new ATOM 0 HD3 PRO F 4 54.692 67.443 29.611 1.00 34.97 H new ATOM 2161 N ASN F 5 59.952 66.635 29.250 1.00 25.60 N ATOM 2162 CA ASN F 5 61.123 65.839 29.584 1.00 22.02 C ATOM 2163 C ASN F 5 61.792 66.348 30.853 1.00 18.99 C ATOM 2164 O ASN F 5 61.721 67.538 31.174 1.00 17.49 O ATOM 2165 CB ASN F 5 62.120 65.869 28.424 1.00 22.10 C ATOM 2166 CG ASN F 5 61.521 65.345 27.126 1.00 24.93 C ATOM 2167 OD1 ASN F 5 61.323 64.140 26.959 1.00 24.60 O ATOM 2168 ND2 ASN F 5 61.220 66.255 26.203 1.00 23.59 N ATOM 0 H ASN F 5 60.113 67.315 28.749 1.00 25.60 H new ATOM 0 HA ASN F 5 60.833 64.927 29.740 1.00 22.02 H new ATOM 0 HB2 ASN F 5 62.428 66.779 28.290 1.00 22.10 H new ATOM 0 HB3 ASN F 5 62.897 65.337 28.656 1.00 22.10 H new ATOM 0 HD21 ASN F 5 60.873 66.010 25.455 1.00 23.59 H new ATOM 0 HD22 ASN F 5 61.372 67.088 26.354 1.00 23.59 H new ATOM 2169 N TYR F 6 62.425 65.429 31.577 1.00 16.05 N ATOM 2170 CA TYR F 6 63.136 65.750 32.810 1.00 15.26 C ATOM 2171 C TYR F 6 64.516 65.126 32.764 1.00 13.63 C ATOM 2172 O TYR F 6 64.735 64.130 32.068 1.00 14.29 O ATOM 2173 CB TYR F 6 62.421 65.181 34.037 1.00 15.35 C ATOM 2174 CG TYR F 6 61.137 65.871 34.400 1.00 16.09 C ATOM 2175 CD1 TYR F 6 59.974 65.659 33.666 1.00 14.94 C ATOM 2176 CD2 TYR F 6 61.082 66.742 35.487 1.00 19.00 C ATOM 2177 CE1 TYR F 6 58.781 66.301 34.010 1.00 17.30 C ATOM 2178 CE2 TYR F 6 59.898 67.386 35.836 1.00 18.63 C ATOM 2179 CZ TYR F 6 58.753 67.161 35.096 1.00 19.12 C ATOM 2180 OH TYR F 6 57.580 67.784 35.451 1.00 21.09 O ATOM 0 H TYR F 6 62.454 64.596 31.365 1.00 16.05 H new ATOM 0 HA TYR F 6 63.178 66.716 32.881 1.00 15.26 H new ATOM 0 HB2 TYR F 6 62.235 64.242 33.880 1.00 15.35 H new ATOM 0 HB3 TYR F 6 63.023 65.227 34.796 1.00 15.35 H new ATOM 0 HD1 TYR F 6 59.991 65.082 32.937 1.00 14.94 H new ATOM 0 HD2 TYR F 6 61.850 66.896 35.988 1.00 19.00 H new ATOM 0 HE1 TYR F 6 58.010 66.152 33.512 1.00 17.30 H new ATOM 0 HE2 TYR F 6 59.878 67.965 36.564 1.00 18.63 H new ATOM 0 HH TYR F 6 57.713 68.270 36.123 1.00 21.09 H new ATOM 2181 N VAL F 7 65.444 65.715 33.508 1.00 11.44 N ATOM 2182 CA VAL F 7 66.788 65.182 33.592 1.00 12.66 C ATOM 2183 C VAL F 7 67.040 64.833 35.050 1.00 13.91 C ATOM 2184 O VAL F 7 66.838 65.661 35.938 1.00 13.43 O ATOM 2185 CB VAL F 7 67.866 66.199 33.110 1.00 12.69 C ATOM 2186 CG1 VAL F 7 67.862 67.447 33.979 1.00 14.44 C ATOM 2187 CG2 VAL F 7 69.244 65.539 33.151 1.00 14.42 C ATOM 0 H VAL F 7 65.311 66.427 33.972 1.00 11.44 H new ATOM 0 HA VAL F 7 66.857 64.407 33.012 1.00 12.66 H new ATOM 0 HB VAL F 7 67.658 66.463 32.200 1.00 12.69 H new ATOM 0 HG11 VAL F 7 68.539 68.065 33.662 1.00 14.44 H new ATOM 0 HG12 VAL F 7 66.991 67.871 33.933 1.00 14.44 H new ATOM 0 HG13 VAL F 7 68.053 67.202 34.898 1.00 14.44 H new ATOM 0 HG21 VAL F 7 69.915 66.172 32.851 1.00 14.42 H new ATOM 0 HG22 VAL F 7 69.444 65.263 34.059 1.00 14.42 H new ATOM 0 HG23 VAL F 7 69.249 64.763 32.569 1.00 14.42 H new HETATM 2188 N MSE F 8 67.444 63.590 35.292 1.00 11.61 N HETATM 2189 CA MSE F 8 67.744 63.134 36.638 1.00 12.34 C HETATM 2190 C MSE F 8 69.260 63.046 36.792 1.00 14.43 C HETATM 2191 O MSE F 8 69.939 62.425 35.972 1.00 15.43 O HETATM 2192 CB MSE F 8 67.147 61.742 36.892 1.00 13.82 C HETATM 2193 CG MSE F 8 65.636 61.640 36.772 1.00 16.73 C HETATM 2194 SE MSE F 8 65.000 59.853 37.221 1.00 27.04 SE HETATM 2195 CE MSE F 8 65.795 58.863 35.749 1.00 19.16 C HETATM 0 H MSE F 8 67.551 62.993 34.683 1.00 11.61 H new HETATM 0 HA MSE F 8 67.361 63.759 37.273 1.00 12.34 H new HETATM 0 HB2 MSE F 8 67.547 61.118 36.267 1.00 13.82 H new HETATM 0 HB3 MSE F 8 67.404 61.456 37.782 1.00 13.82 H new HETATM 0 HG2 MSE F 8 65.219 62.290 37.360 1.00 16.73 H new HETATM 0 HG3 MSE F 8 65.367 61.862 35.867 1.00 16.73 H new HETATM 0 HE1 MSE F 8 65.565 57.924 35.829 1.00 19.16 H new HETATM 0 HE2 MSE F 8 65.458 59.208 34.907 1.00 19.16 H new HETATM 0 HE3 MSE F 8 66.760 58.963 35.775 1.00 19.16 H new ATOM 2196 N HIS F 9 69.792 63.678 37.831 1.00 13.98 N ATOM 2197 CA HIS F 9 71.225 63.630 38.093 1.00 14.82 C ATOM 2198 C HIS F 9 71.414 62.627 39.218 1.00 12.82 C ATOM 2199 O HIS F 9 70.937 62.838 40.330 1.00 11.29 O ATOM 2200 CB HIS F 9 71.739 65.010 38.500 1.00 18.08 C ATOM 2201 CG HIS F 9 71.632 66.027 37.408 1.00 20.98 C ATOM 2202 ND1 HIS F 9 70.710 67.054 37.431 1.00 24.27 N ATOM 2203 CD2 HIS F 9 72.301 66.150 36.238 1.00 22.81 C ATOM 2204 CE1 HIS F 9 70.817 67.763 36.322 1.00 23.54 C ATOM 2205 NE2 HIS F 9 71.775 67.235 35.580 1.00 23.88 N ATOM 0 H HIS F 9 69.340 64.141 38.397 1.00 13.98 H new ATOM 0 HA HIS F 9 71.723 63.367 37.304 1.00 14.82 H new ATOM 0 HB2 HIS F 9 71.240 65.320 39.272 1.00 18.08 H new ATOM 0 HB3 HIS F 9 72.667 64.935 38.774 1.00 18.08 H new ATOM 0 HD2 HIS F 9 72.989 65.602 35.936 1.00 22.81 H new ATOM 0 HE1 HIS F 9 70.305 68.507 36.101 1.00 23.54 H new ATOM 0 HE2 HIS F 9 72.028 67.524 34.810 1.00 23.88 H new ATOM 2206 N THR F 10 72.102 61.531 38.917 1.00 11.86 N ATOM 2207 CA THR F 10 72.306 60.458 39.888 1.00 12.11 C ATOM 2208 C THR F 10 73.531 60.634 40.778 1.00 12.96 C ATOM 2209 O THR F 10 74.351 61.527 40.565 1.00 14.18 O ATOM 2210 CB THR F 10 72.448 59.104 39.178 1.00 11.24 C ATOM 2211 OG1 THR F 10 73.717 59.046 38.518 1.00 10.61 O ATOM 2212 CG2 THR F 10 71.345 58.923 38.135 1.00 11.27 C ATOM 0 H THR F 10 72.462 61.387 38.149 1.00 11.86 H new ATOM 0 HA THR F 10 71.518 60.491 40.453 1.00 12.11 H new ATOM 0 HB THR F 10 72.377 58.400 39.841 1.00 11.24 H new ATOM 0 HG1 THR F 10 73.857 58.263 38.248 1.00 10.61 H new ATOM 0 HG21 THR F 10 71.451 58.064 37.698 1.00 11.27 H new ATOM 0 HG22 THR F 10 70.479 58.959 38.570 1.00 11.27 H new ATOM 0 HG23 THR F 10 71.405 59.631 37.475 1.00 11.27 H new ATOM 2213 N ASN F 11 73.649 59.759 41.771 1.00 13.39 N ATOM 2214 CA ASN F 11 74.781 59.783 42.685 1.00 15.01 C ATOM 2215 C ASN F 11 75.902 58.899 42.142 1.00 16.98 C ATOM 2216 O ASN F 11 76.843 58.564 42.860 1.00 17.51 O ATOM 2217 CB ASN F 11 74.356 59.307 44.077 1.00 15.60 C ATOM 2218 CG ASN F 11 73.578 60.367 44.838 1.00 17.06 C ATOM 2219 OD1 ASN F 11 74.031 61.610 44.744 1.00 18.70 O flip ATOM 2220 ND2 ASN F 11 72.590 60.071 45.507 1.00 11.60 N flip ATOM 0 H ASN F 11 73.077 59.138 41.932 1.00 13.39 H new ATOM 0 HA ASN F 11 75.104 60.694 42.760 1.00 15.01 H new ATOM 0 HB2 ASN F 11 73.811 58.509 43.991 1.00 15.60 H new ATOM 0 HB3 ASN F 11 75.144 59.059 44.586 1.00 15.60 H new ATOM 0 HD21 ASN F 11 72.325 59.254 45.544 1.00 11.60 H new ATOM 0 HD22 ASN F 11 72.164 60.681 45.937 1.00 11.60 H new ATOM 2221 N ASP F 12 75.789 58.496 40.879 1.00 16.41 N ATOM 2222 CA ASP F 12 76.840 57.688 40.268 1.00 17.92 C ATOM 2223 C ASP F 12 77.307 58.280 38.947 1.00 17.73 C ATOM 2224 O ASP F 12 77.643 57.556 38.010 1.00 20.50 O ATOM 2225 CB ASP F 12 76.418 56.223 40.078 1.00 18.68 C ATOM 2226 CG ASP F 12 75.131 56.062 39.288 1.00 19.95 C ATOM 2227 OD1 ASP F 12 74.892 56.840 38.342 1.00 16.93 O ATOM 2228 OD2 ASP F 12 74.365 55.125 39.613 1.00 19.25 O ATOM 0 H ASP F 12 75.123 58.676 40.366 1.00 16.41 H new ATOM 0 HA ASP F 12 77.585 57.700 40.889 1.00 17.92 H new ATOM 0 HB2 ASP F 12 77.130 55.745 39.624 1.00 18.68 H new ATOM 0 HB3 ASP F 12 76.309 55.810 40.949 1.00 18.68 H new ATOM 2229 N GLY F 13 77.314 59.609 38.889 1.00 18.22 N ATOM 2230 CA GLY F 13 77.783 60.324 37.714 1.00 19.02 C ATOM 2231 C GLY F 13 76.990 60.243 36.426 1.00 19.57 C ATOM 2232 O GLY F 13 77.565 60.400 35.352 1.00 20.63 O ATOM 0 H GLY F 13 77.047 60.117 39.529 1.00 18.22 H new ATOM 0 HA2 GLY F 13 77.854 61.261 37.953 1.00 19.02 H new ATOM 0 HA3 GLY F 13 78.681 60.011 37.523 1.00 19.02 H new ATOM 2233 N ARG F 14 75.684 60.012 36.507 1.00 16.75 N ATOM 2234 CA ARG F 14 74.880 59.943 35.294 1.00 15.25 C ATOM 2235 C ARG F 14 73.860 61.074 35.197 1.00 15.15 C ATOM 2236 O ARG F 14 73.436 61.631 36.209 1.00 12.67 O ATOM 2237 CB ARG F 14 74.137 58.607 35.218 1.00 15.47 C ATOM 2238 CG ARG F 14 75.014 57.406 34.924 1.00 17.12 C ATOM 2239 CD ARG F 14 74.172 56.134 34.835 1.00 16.64 C ATOM 2240 NE ARG F 14 73.631 55.747 36.132 1.00 18.69 N ATOM 2241 CZ ARG F 14 72.701 54.811 36.307 1.00 22.13 C ATOM 2242 NH1 ARG F 14 72.194 54.162 35.263 1.00 20.14 N ATOM 2243 NH2 ARG F 14 72.288 54.508 37.531 1.00 23.04 N ATOM 0 H ARG F 14 75.251 59.894 37.241 1.00 16.75 H new ATOM 0 HA ARG F 14 75.500 60.030 34.553 1.00 15.25 H new ATOM 0 HB2 ARG F 14 73.679 58.458 36.060 1.00 15.47 H new ATOM 0 HB3 ARG F 14 73.455 58.669 34.531 1.00 15.47 H new ATOM 0 HG2 ARG F 14 75.490 57.543 34.090 1.00 17.12 H new ATOM 0 HG3 ARG F 14 75.683 57.309 35.620 1.00 17.12 H new ATOM 0 HD2 ARG F 14 73.444 56.272 34.210 1.00 16.64 H new ATOM 0 HD3 ARG F 14 74.715 55.411 34.483 1.00 16.64 H new ATOM 0 HE ARG F 14 73.932 56.150 36.830 1.00 18.69 H new ATOM 0 HH11 ARG F 14 72.467 54.346 34.468 1.00 20.14 H new ATOM 0 HH12 ARG F 14 71.593 53.558 35.382 1.00 20.14 H new ATOM 0 HH21 ARG F 14 72.621 54.916 38.211 1.00 23.04 H new ATOM 0 HH22 ARG F 14 71.687 53.903 37.645 1.00 23.04 H new ATOM 2244 N SER F 15 73.497 61.415 33.963 1.00 14.59 N ATOM 2245 CA SER F 15 72.482 62.430 33.678 1.00 16.02 C ATOM 2246 C SER F 15 71.491 61.742 32.749 1.00 15.69 C ATOM 2247 O SER F 15 71.734 61.619 31.548 1.00 15.33 O ATOM 2248 CB SER F 15 73.088 63.654 32.982 1.00 16.99 C ATOM 2249 OG SER F 15 73.738 64.497 33.921 1.00 21.63 O ATOM 0 H SER F 15 73.837 61.059 33.258 1.00 14.59 H new ATOM 0 HA SER F 15 72.071 62.756 34.494 1.00 16.02 H new ATOM 0 HB2 SER F 15 73.722 63.366 32.306 1.00 16.99 H new ATOM 0 HB3 SER F 15 72.391 64.149 32.524 1.00 16.99 H new ATOM 0 HG SER F 15 74.459 64.141 34.165 1.00 21.63 H new ATOM 2250 N ILE F 16 70.381 61.282 33.319 1.00 15.99 N ATOM 2251 CA ILE F 16 69.359 60.560 32.569 1.00 13.68 C ATOM 2252 C ILE F 16 68.154 61.419 32.180 1.00 14.31 C ATOM 2253 O ILE F 16 67.496 62.008 33.039 1.00 13.89 O ATOM 2254 CB ILE F 16 68.869 59.344 33.393 1.00 13.95 C ATOM 2255 CG1 ILE F 16 70.069 58.486 33.805 1.00 14.13 C ATOM 2256 CG2 ILE F 16 67.881 58.524 32.581 1.00 13.23 C ATOM 2257 CD1 ILE F 16 69.774 57.454 34.866 1.00 11.55 C ATOM 0 H ILE F 16 70.199 61.380 34.154 1.00 15.99 H new ATOM 0 HA ILE F 16 69.780 60.277 31.742 1.00 13.68 H new ATOM 0 HB ILE F 16 68.419 59.659 34.192 1.00 13.95 H new ATOM 0 HG12 ILE F 16 70.413 58.034 33.019 1.00 14.13 H new ATOM 0 HG13 ILE F 16 70.773 59.070 34.127 1.00 14.13 H new ATOM 0 HG21 ILE F 16 67.581 57.766 33.106 1.00 13.23 H new ATOM 0 HG22 ILE F 16 67.119 59.076 32.346 1.00 13.23 H new ATOM 0 HG23 ILE F 16 68.312 58.206 31.772 1.00 13.23 H new ATOM 0 HD11 ILE F 16 70.582 56.957 35.068 1.00 11.55 H new ATOM 0 HD12 ILE F 16 69.458 57.897 35.669 1.00 11.55 H new ATOM 0 HD13 ILE F 16 69.092 56.844 34.544 1.00 11.55 H new ATOM 2258 N VAL F 17 67.864 61.472 30.882 1.00 12.13 N ATOM 2259 CA VAL F 17 66.733 62.247 30.372 1.00 12.38 C ATOM 2260 C VAL F 17 65.521 61.328 30.241 1.00 13.65 C ATOM 2261 O VAL F 17 65.602 60.253 29.636 1.00 13.65 O ATOM 2262 CB VAL F 17 67.053 62.862 29.004 1.00 12.25 C ATOM 2263 CG1 VAL F 17 65.843 63.612 28.474 1.00 14.00 C ATOM 2264 CG2 VAL F 17 68.243 63.799 29.133 1.00 12.93 C ATOM 0 H VAL F 17 68.314 61.062 30.274 1.00 12.13 H new ATOM 0 HA VAL F 17 66.547 62.969 30.993 1.00 12.38 H new ATOM 0 HB VAL F 17 67.275 62.155 28.378 1.00 12.25 H new ATOM 0 HG11 VAL F 17 66.054 63.997 27.609 1.00 14.00 H new ATOM 0 HG12 VAL F 17 65.097 62.999 28.381 1.00 14.00 H new ATOM 0 HG13 VAL F 17 65.604 64.319 29.093 1.00 14.00 H new ATOM 0 HG21 VAL F 17 68.445 64.187 28.267 1.00 12.93 H new ATOM 0 HG22 VAL F 17 68.032 64.506 29.763 1.00 12.93 H new ATOM 0 HG23 VAL F 17 69.013 63.302 29.451 1.00 12.93 H new ATOM 2265 N THR F 18 64.396 61.760 30.800 1.00 12.33 N ATOM 2266 CA THR F 18 63.183 60.958 30.781 1.00 13.58 C ATOM 2267 C THR F 18 62.080 61.546 29.916 1.00 14.37 C ATOM 2268 O THR F 18 62.067 62.744 29.627 1.00 14.95 O ATOM 2269 CB THR F 18 62.617 60.795 32.211 1.00 14.50 C ATOM 2270 OG1 THR F 18 62.024 62.030 32.628 1.00 12.66 O ATOM 2271 CG2 THR F 18 63.736 60.434 33.195 1.00 13.82 C ATOM 0 H THR F 18 64.316 62.519 31.197 1.00 12.33 H new ATOM 0 HA THR F 18 63.447 60.104 30.403 1.00 13.58 H new ATOM 0 HB THR F 18 61.956 60.085 32.203 1.00 14.50 H new ATOM 0 HG1 THR F 18 61.188 61.974 32.569 1.00 12.66 H new ATOM 0 HG21 THR F 18 63.365 60.336 34.086 1.00 13.82 H new ATOM 0 HG22 THR F 18 64.149 59.600 32.923 1.00 13.82 H new ATOM 0 HG23 THR F 18 64.403 61.138 33.199 1.00 13.82 H new ATOM 2272 N ASP F 19 61.159 60.688 29.495 1.00 14.93 N ATOM 2273 CA ASP F 19 60.026 61.127 28.695 1.00 18.73 C ATOM 2274 C ASP F 19 58.819 61.126 29.621 1.00 17.78 C ATOM 2275 O ASP F 19 58.225 60.080 29.897 1.00 17.40 O ATOM 2276 CB ASP F 19 59.787 60.181 27.518 1.00 21.13 C ATOM 2277 CG ASP F 19 58.615 60.616 26.660 1.00 28.26 C ATOM 2278 OD1 ASP F 19 58.565 61.809 26.280 1.00 32.36 O ATOM 2279 OD2 ASP F 19 57.745 59.772 26.361 1.00 31.15 O ATOM 0 H ASP F 19 61.173 59.845 29.663 1.00 14.93 H new ATOM 0 HA ASP F 19 60.189 62.008 28.323 1.00 18.73 H new ATOM 0 HB2 ASP F 19 60.587 60.139 26.972 1.00 21.13 H new ATOM 0 HB3 ASP F 19 59.625 59.285 27.853 1.00 21.13 H new ATOM 2280 N GLY F 20 58.463 62.307 30.102 1.00 16.86 N ATOM 2281 CA GLY F 20 57.358 62.414 31.028 1.00 14.72 C ATOM 2282 C GLY F 20 57.986 62.500 32.403 1.00 14.23 C ATOM 2283 O GLY F 20 59.178 62.214 32.567 1.00 12.52 O ATOM 0 H GLY F 20 58.847 63.051 29.905 1.00 16.86 H new ATOM 0 HA2 GLY F 20 56.820 63.199 30.840 1.00 14.72 H new ATOM 0 HA3 GLY F 20 56.770 61.645 30.960 1.00 14.72 H new ATOM 2284 N LYS F 21 57.198 62.888 33.395 1.00 13.75 N ATOM 2285 CA LYS F 21 57.708 63.011 34.749 1.00 13.12 C ATOM 2286 C LYS F 21 57.813 61.649 35.425 1.00 12.62 C ATOM 2287 O LYS F 21 56.864 60.869 35.413 1.00 13.05 O ATOM 2288 CB LYS F 21 56.791 63.911 35.574 1.00 12.18 C ATOM 2289 CG LYS F 21 57.316 64.218 36.967 1.00 13.53 C ATOM 2290 CD LYS F 21 56.324 65.052 37.752 1.00 12.36 C ATOM 2291 CE LYS F 21 56.892 65.441 39.108 1.00 12.72 C ATOM 2292 NZ LYS F 21 55.887 66.159 39.942 1.00 13.84 N ATOM 0 H LYS F 21 56.366 63.084 33.305 1.00 13.75 H new ATOM 0 HA LYS F 21 58.594 63.401 34.697 1.00 13.12 H new ATOM 0 HB2 LYS F 21 56.658 64.745 35.097 1.00 12.18 H new ATOM 0 HB3 LYS F 21 55.922 63.487 35.652 1.00 12.18 H new ATOM 0 HG2 LYS F 21 57.492 63.389 37.440 1.00 13.53 H new ATOM 0 HG3 LYS F 21 58.160 64.691 36.901 1.00 13.53 H new ATOM 0 HD2 LYS F 21 56.100 65.851 37.250 1.00 12.36 H new ATOM 0 HD3 LYS F 21 55.501 64.553 37.873 1.00 12.36 H new ATOM 0 HE2 LYS F 21 57.190 64.645 39.575 1.00 12.72 H new ATOM 0 HE3 LYS F 21 57.671 66.005 38.983 1.00 12.72 H new ATOM 0 HZ1 LYS F 21 56.274 66.448 40.690 1.00 13.84 H new ATOM 0 HZ2 LYS F 21 55.565 66.853 39.487 1.00 13.84 H new ATOM 0 HZ3 LYS F 21 55.221 65.605 40.148 1.00 13.84 H new ATOM 2293 N PRO F 22 58.979 61.344 36.012 1.00 10.37 N ATOM 2294 CA PRO F 22 59.165 60.060 36.697 1.00 10.67 C ATOM 2295 C PRO F 22 58.211 59.965 37.890 1.00 10.19 C ATOM 2296 O PRO F 22 57.685 60.972 38.356 1.00 9.53 O ATOM 2297 CB PRO F 22 60.620 60.120 37.148 1.00 10.65 C ATOM 2298 CG PRO F 22 61.264 60.938 36.073 1.00 12.57 C ATOM 2299 CD PRO F 22 60.264 62.051 35.869 1.00 12.17 C ATOM 0 HA PRO F 22 58.979 59.285 36.144 1.00 10.67 H new ATOM 0 HB2 PRO F 22 60.710 60.536 38.020 1.00 10.65 H new ATOM 0 HB3 PRO F 22 61.014 59.236 37.213 1.00 10.65 H new ATOM 0 HG2 PRO F 22 62.131 61.277 36.347 1.00 12.57 H new ATOM 0 HG3 PRO F 22 61.403 60.424 35.262 1.00 12.57 H new ATOM 0 HD2 PRO F 22 60.366 62.755 36.529 1.00 12.17 H new ATOM 0 HD3 PRO F 22 60.355 62.465 34.996 1.00 12.17 H new ATOM 2300 N GLN F 23 57.987 58.760 38.387 1.00 8.00 N ATOM 2301 CA GLN F 23 57.111 58.610 39.539 1.00 10.10 C ATOM 2302 C GLN F 23 57.465 57.349 40.301 1.00 8.78 C ATOM 2303 O GLN F 23 58.006 56.404 39.734 1.00 10.50 O ATOM 2304 CB GLN F 23 55.646 58.563 39.095 1.00 11.09 C ATOM 2305 CG GLN F 23 55.279 57.321 38.300 1.00 18.43 C ATOM 2306 CD GLN F 23 53.877 57.390 37.714 1.00 23.79 C ATOM 2307 OE1 GLN F 23 52.891 57.525 38.438 1.00 21.87 O ATOM 2308 NE2 GLN F 23 53.787 57.296 36.391 1.00 27.12 N ATOM 0 H GLN F 23 58.323 58.030 38.082 1.00 8.00 H new ATOM 0 HA GLN F 23 57.233 59.376 40.122 1.00 10.10 H new ATOM 0 HB2 GLN F 23 55.078 58.612 39.880 1.00 11.09 H new ATOM 0 HB3 GLN F 23 55.456 59.348 38.557 1.00 11.09 H new ATOM 0 HG2 GLN F 23 55.920 57.201 37.582 1.00 18.43 H new ATOM 0 HG3 GLN F 23 55.347 56.542 38.874 1.00 18.43 H new ATOM 0 HE21 GLN F 23 54.499 57.202 35.917 1.00 27.12 H new ATOM 0 HE22 GLN F 23 53.017 57.329 36.009 1.00 27.12 H new ATOM 2309 N THR F 24 57.170 57.337 41.593 1.00 9.48 N ATOM 2310 CA THR F 24 57.458 56.161 42.399 1.00 8.43 C ATOM 2311 C THR F 24 56.643 55.013 41.821 1.00 9.20 C ATOM 2312 O THR F 24 55.448 55.163 41.572 1.00 10.50 O ATOM 2313 CB THR F 24 57.059 56.384 43.870 1.00 10.56 C ATOM 2314 OG1 THR F 24 57.753 57.531 44.380 1.00 8.00 O ATOM 2315 CG2 THR F 24 57.430 55.165 44.707 1.00 8.86 C ATOM 0 H THR F 24 56.807 57.991 42.018 1.00 9.48 H new ATOM 0 HA THR F 24 58.409 55.970 42.379 1.00 8.43 H new ATOM 0 HB THR F 24 56.100 56.525 43.919 1.00 10.56 H new ATOM 0 HG1 THR F 24 57.273 57.919 44.949 1.00 8.00 H new ATOM 0 HG21 THR F 24 57.175 55.316 45.630 1.00 8.86 H new ATOM 0 HG22 THR F 24 56.965 54.385 44.367 1.00 8.86 H new ATOM 0 HG23 THR F 24 58.387 55.017 44.657 1.00 8.86 H new ATOM 2316 N ASP F 25 57.296 53.880 41.587 1.00 9.11 N ATOM 2317 CA ASP F 25 56.638 52.695 41.038 1.00 6.97 C ATOM 2318 C ASP F 25 55.699 52.102 42.093 1.00 7.43 C ATOM 2319 O ASP F 25 56.088 51.914 43.247 1.00 5.32 O ATOM 2320 CB ASP F 25 57.712 51.681 40.613 1.00 10.59 C ATOM 2321 CG ASP F 25 57.140 50.484 39.867 1.00 10.57 C ATOM 2322 OD1 ASP F 25 56.669 49.536 40.527 1.00 8.56 O ATOM 2323 OD2 ASP F 25 57.157 50.495 38.618 1.00 13.13 O ATOM 0 H ASP F 25 58.135 53.775 41.742 1.00 9.11 H new ATOM 0 HA ASP F 25 56.109 52.929 40.260 1.00 6.97 H new ATOM 0 HB2 ASP F 25 58.364 52.126 40.049 1.00 10.59 H new ATOM 0 HB3 ASP F 25 58.184 51.369 41.401 1.00 10.59 H new ATOM 2324 N ASN F 26 54.458 51.816 41.707 1.00 6.60 N ATOM 2325 CA ASN F 26 53.486 51.264 42.654 1.00 8.82 C ATOM 2326 C ASN F 26 53.825 49.848 43.142 1.00 9.00 C ATOM 2327 O ASN F 26 53.364 49.426 44.205 1.00 8.60 O ATOM 2328 CB ASN F 26 52.080 51.261 42.037 1.00 9.73 C ATOM 2329 CG ASN F 26 51.577 52.660 41.710 1.00 11.42 C ATOM 2330 OD1 ASN F 26 51.861 53.614 42.426 1.00 12.85 O ATOM 2331 ND2 ASN F 26 50.806 52.778 40.637 1.00 13.01 N ATOM 0 H ASN F 26 54.159 51.932 40.909 1.00 6.60 H new ATOM 0 HA ASN F 26 53.519 51.845 43.430 1.00 8.82 H new ATOM 0 HB2 ASN F 26 52.088 50.727 41.227 1.00 9.73 H new ATOM 0 HB3 ASN F 26 51.462 50.835 42.652 1.00 9.73 H new ATOM 0 HD21 ASN F 26 50.485 53.546 40.421 1.00 13.01 H new ATOM 0 HD22 ASN F 26 50.628 52.087 40.158 1.00 13.01 H new ATOM 2332 N ASP F 27 54.635 49.119 42.377 1.00 8.65 N ATOM 2333 CA ASP F 27 54.988 47.752 42.751 1.00 9.67 C ATOM 2334 C ASP F 27 56.271 47.574 43.568 1.00 9.53 C ATOM 2335 O ASP F 27 56.301 46.788 44.515 1.00 10.01 O ATOM 2336 CB ASP F 27 55.090 46.880 41.491 1.00 9.59 C ATOM 2337 CG ASP F 27 53.784 46.813 40.715 1.00 13.51 C ATOM 2338 OD1 ASP F 27 52.744 46.480 41.324 1.00 12.93 O ATOM 2339 OD2 ASP F 27 53.802 47.086 39.495 1.00 15.08 O ATOM 0 H ASP F 27 54.988 49.395 41.643 1.00 8.65 H new ATOM 0 HA ASP F 27 54.268 47.478 43.341 1.00 9.67 H new ATOM 0 HB2 ASP F 27 55.786 47.232 40.915 1.00 9.59 H new ATOM 0 HB3 ASP F 27 55.358 45.983 41.744 1.00 9.59 H new ATOM 2340 N THR F 28 57.316 48.313 43.202 1.00 8.88 N ATOM 2341 CA THR F 28 58.634 48.197 43.833 1.00 8.67 C ATOM 2342 C THR F 28 59.105 49.299 44.774 1.00 9.25 C ATOM 2343 O THR F 28 60.016 49.080 45.575 1.00 8.29 O ATOM 2344 CB THR F 28 59.716 48.092 42.758 1.00 10.26 C ATOM 2345 OG1 THR F 28 59.758 49.324 42.025 1.00 7.50 O ATOM 2346 CG2 THR F 28 59.407 46.954 41.808 1.00 12.72 C ATOM 0 H THR F 28 57.282 48.901 42.576 1.00 8.88 H new ATOM 0 HA THR F 28 58.508 47.410 44.386 1.00 8.67 H new ATOM 0 HB THR F 28 60.572 47.921 43.180 1.00 10.26 H new ATOM 0 HG1 THR F 28 59.778 49.160 41.201 1.00 7.50 H new ATOM 0 HG21 THR F 28 60.101 46.899 41.132 1.00 12.72 H new ATOM 0 HG22 THR F 28 59.371 46.120 42.302 1.00 12.72 H new ATOM 0 HG23 THR F 28 58.551 47.113 41.380 1.00 12.72 H new ATOM 2347 N GLY F 29 58.521 50.484 44.668 1.00 7.87 N ATOM 2348 CA GLY F 29 58.967 51.573 45.518 1.00 9.74 C ATOM 2349 C GLY F 29 60.202 52.250 44.935 1.00 9.00 C ATOM 2350 O GLY F 29 60.792 53.130 45.560 1.00 9.43 O ATOM 0 H GLY F 29 57.882 50.675 44.125 1.00 7.87 H new ATOM 0 HA2 GLY F 29 58.254 52.223 45.617 1.00 9.74 H new ATOM 0 HA3 GLY F 29 59.168 51.235 46.405 1.00 9.74 H new HETATM 2351 N MSE F 30 60.618 51.809 43.752 1.00 8.07 N HETATM 2352 CA MSE F 30 61.762 52.398 43.054 1.00 10.10 C HETATM 2353 C MSE F 30 61.155 53.557 42.264 1.00 8.57 C HETATM 2354 O MSE F 30 59.937 53.713 42.245 1.00 8.46 O HETATM 2355 CB MSE F 30 62.342 51.400 42.049 1.00 13.00 C HETATM 2356 CG MSE F 30 62.789 50.075 42.627 1.00 16.72 C HETATM 2357 SE MSE F 30 64.573 50.166 43.343 1.00 23.58 SE HETATM 2358 CE MSE F 30 65.523 50.152 41.633 1.00 13.86 C HETATM 0 H MSE F 30 60.246 51.159 43.329 1.00 8.07 H new HETATM 0 HA MSE F 30 62.466 52.659 43.668 1.00 10.10 H new HETATM 0 HB2 MSE F 30 61.675 51.228 41.366 1.00 13.00 H new HETATM 0 HB3 MSE F 30 63.100 51.814 41.607 1.00 13.00 H new HETATM 0 HG2 MSE F 30 62.174 49.804 43.327 1.00 16.72 H new HETATM 0 HG3 MSE F 30 62.752 49.393 41.938 1.00 16.72 H new HETATM 0 HE1 MSE F 30 66.479 50.194 41.793 1.00 13.86 H new HETATM 0 HE2 MSE F 30 65.312 49.337 41.152 1.00 13.86 H new HETATM 0 HE3 MSE F 30 65.250 50.918 41.105 1.00 13.86 H new ATOM 2359 N ILE F 31 61.973 54.392 41.631 1.00 8.99 N ATOM 2360 CA ILE F 31 61.378 55.442 40.816 1.00 7.40 C ATOM 2361 C ILE F 31 61.333 54.925 39.388 1.00 7.44 C ATOM 2362 O ILE F 31 62.335 54.466 38.837 1.00 5.41 O ATOM 2363 CB ILE F 31 62.134 56.802 40.909 1.00 12.18 C ATOM 2364 CG1 ILE F 31 61.797 57.696 39.710 1.00 7.61 C ATOM 2365 CG2 ILE F 31 63.593 56.582 41.044 1.00 16.30 C ATOM 2366 CD1 ILE F 31 62.589 57.402 38.458 1.00 19.16 C ATOM 0 H ILE F 31 62.832 54.372 41.656 1.00 8.99 H new ATOM 0 HA ILE F 31 60.487 55.637 41.147 1.00 7.40 H new ATOM 0 HB ILE F 31 61.837 57.267 41.707 1.00 12.18 H new ATOM 0 HG12 ILE F 31 60.853 57.604 39.509 1.00 7.61 H new ATOM 0 HG13 ILE F 31 61.944 58.621 39.961 1.00 7.61 H new ATOM 0 HG21 ILE F 31 64.046 57.438 41.100 1.00 16.30 H new ATOM 0 HG22 ILE F 31 63.770 56.070 41.848 1.00 16.30 H new ATOM 0 HG23 ILE F 31 63.920 56.094 40.272 1.00 16.30 H new ATOM 0 HD11 ILE F 31 62.316 58.009 37.752 1.00 19.16 H new ATOM 0 HD12 ILE F 31 63.535 57.521 38.638 1.00 19.16 H new ATOM 0 HD13 ILE F 31 62.426 56.487 38.179 1.00 19.16 H new ATOM 2367 N SER F 32 60.140 54.979 38.807 1.00 6.79 N ATOM 2368 CA SER F 32 59.912 54.521 37.447 1.00 7.95 C ATOM 2369 C SER F 32 60.013 55.689 36.480 1.00 7.38 C ATOM 2370 O SER F 32 59.579 56.794 36.790 1.00 8.65 O ATOM 2371 CB SER F 32 58.515 53.893 37.343 1.00 9.10 C ATOM 2372 OG SER F 32 58.225 53.514 36.011 1.00 15.43 O ATOM 0 H SER F 32 59.436 55.285 39.195 1.00 6.79 H new ATOM 0 HA SER F 32 60.585 53.860 37.220 1.00 7.95 H new ATOM 0 HB2 SER F 32 58.462 53.117 37.922 1.00 9.10 H new ATOM 0 HB3 SER F 32 57.849 54.525 37.655 1.00 9.10 H new ATOM 0 HG SER F 32 57.887 54.165 35.602 1.00 15.43 H new ATOM 2373 N TYR F 33 60.582 55.437 35.307 1.00 9.66 N ATOM 2374 CA TYR F 33 60.710 56.474 34.294 1.00 10.84 C ATOM 2375 C TYR F 33 60.756 55.847 32.906 1.00 11.25 C ATOM 2376 O TYR F 33 61.125 54.684 32.753 1.00 11.52 O ATOM 2377 CB TYR F 33 61.960 57.319 34.556 1.00 8.50 C ATOM 2378 CG TYR F 33 63.268 56.600 34.337 1.00 11.45 C ATOM 2379 CD1 TYR F 33 63.921 56.675 33.111 1.00 10.24 C ATOM 2380 CD2 TYR F 33 63.869 55.869 35.363 1.00 7.96 C ATOM 2381 CE1 TYR F 33 65.153 56.052 32.910 1.00 10.90 C ATOM 2382 CE2 TYR F 33 65.094 55.235 35.169 1.00 12.81 C ATOM 2383 CZ TYR F 33 65.732 55.338 33.940 1.00 11.78 C ATOM 2384 OH TYR F 33 66.959 54.749 33.755 1.00 15.77 O ATOM 0 H TYR F 33 60.900 54.671 35.079 1.00 9.66 H new ATOM 0 HA TYR F 33 59.936 57.058 34.339 1.00 10.84 H new ATOM 0 HB2 TYR F 33 61.934 58.099 33.980 1.00 8.50 H new ATOM 0 HB3 TYR F 33 61.932 57.641 35.471 1.00 8.50 H new ATOM 0 HD1 TYR F 33 63.529 57.149 32.413 1.00 10.24 H new ATOM 0 HD2 TYR F 33 63.445 55.804 36.188 1.00 7.96 H new ATOM 0 HE1 TYR F 33 65.582 56.117 32.087 1.00 10.90 H new ATOM 0 HE2 TYR F 33 65.482 54.746 35.858 1.00 12.81 H new ATOM 0 HH TYR F 33 67.151 54.284 34.428 1.00 15.77 H new ATOM 2385 N LYS F 34 60.345 56.604 31.898 1.00 11.87 N ATOM 2386 CA LYS F 34 60.363 56.081 30.541 1.00 14.15 C ATOM 2387 C LYS F 34 61.538 56.676 29.791 1.00 12.67 C ATOM 2388 O LYS F 34 61.762 57.884 29.850 1.00 12.86 O ATOM 2389 CB LYS F 34 59.056 56.409 29.809 1.00 18.83 C ATOM 2390 CG LYS F 34 57.852 55.653 30.329 1.00 25.39 C ATOM 2391 CD LYS F 34 56.747 55.534 29.274 1.00 30.88 C ATOM 2392 CE LYS F 34 56.188 56.890 28.865 1.00 31.28 C ATOM 2393 NZ LYS F 34 55.057 56.743 27.901 1.00 35.43 N ATOM 0 H LYS F 34 60.056 57.410 31.976 1.00 11.87 H new ATOM 0 HA LYS F 34 60.452 55.116 30.580 1.00 14.15 H new ATOM 0 HB2 LYS F 34 58.885 57.361 29.883 1.00 18.83 H new ATOM 0 HB3 LYS F 34 59.167 56.213 28.865 1.00 18.83 H new ATOM 0 HG2 LYS F 34 58.125 54.766 30.611 1.00 25.39 H new ATOM 0 HG3 LYS F 34 57.502 56.104 31.113 1.00 25.39 H new ATOM 0 HD2 LYS F 34 57.098 55.082 28.491 1.00 30.88 H new ATOM 0 HD3 LYS F 34 56.029 54.982 29.622 1.00 30.88 H new ATOM 0 HE2 LYS F 34 55.884 57.368 29.653 1.00 31.28 H new ATOM 0 HE3 LYS F 34 56.891 57.424 28.463 1.00 31.28 H new ATOM 0 HZ1 LYS F 34 54.749 57.548 27.679 1.00 35.43 H new ATOM 0 HZ2 LYS F 34 55.342 56.323 27.170 1.00 35.43 H new ATOM 0 HZ3 LYS F 34 54.404 56.270 28.279 1.00 35.43 H new ATOM 2394 N ASP F 35 62.299 55.824 29.108 1.00 12.62 N ATOM 2395 CA ASP F 35 63.439 56.296 28.335 1.00 12.78 C ATOM 2396 C ASP F 35 62.954 56.805 26.980 1.00 13.53 C ATOM 2397 O ASP F 35 61.749 56.820 26.711 1.00 11.71 O ATOM 2398 CB ASP F 35 64.485 55.185 28.149 1.00 13.85 C ATOM 2399 CG ASP F 35 63.917 53.933 27.504 1.00 14.79 C ATOM 2400 OD1 ASP F 35 63.043 54.047 26.619 1.00 14.87 O ATOM 2401 OD2 ASP F 35 64.368 52.829 27.872 1.00 16.15 O ATOM 0 H ASP F 35 62.172 54.974 29.080 1.00 12.62 H new ATOM 0 HA ASP F 35 63.865 57.020 28.820 1.00 12.78 H new ATOM 0 HB2 ASP F 35 65.213 55.522 27.603 1.00 13.85 H new ATOM 0 HB3 ASP F 35 64.861 54.955 29.013 1.00 13.85 H new ATOM 2402 N ALA F 36 63.886 57.221 26.127 1.00 14.66 N ATOM 2403 CA ALA F 36 63.528 57.760 24.817 1.00 17.03 C ATOM 2404 C ALA F 36 62.820 56.774 23.894 1.00 17.31 C ATOM 2405 O ALA F 36 62.145 57.182 22.946 1.00 18.55 O ATOM 2406 CB ALA F 36 64.773 58.317 24.124 1.00 17.57 C ATOM 0 H ALA F 36 64.731 57.200 26.287 1.00 14.66 H new ATOM 0 HA ALA F 36 62.885 58.465 24.992 1.00 17.03 H new ATOM 0 HB1 ALA F 36 64.528 58.673 23.255 1.00 17.57 H new ATOM 0 HB2 ALA F 36 65.156 59.024 24.666 1.00 17.57 H new ATOM 0 HB3 ALA F 36 65.425 57.608 24.010 1.00 17.57 H new ATOM 2407 N ASN F 37 62.969 55.482 24.171 1.00 18.69 N ATOM 2408 CA ASN F 37 62.343 54.449 23.352 1.00 20.17 C ATOM 2409 C ASN F 37 60.984 54.053 23.917 1.00 21.08 C ATOM 2410 O ASN F 37 60.348 53.113 23.432 1.00 21.01 O ATOM 2411 CB ASN F 37 63.251 53.221 23.275 1.00 22.04 C ATOM 2412 CG ASN F 37 64.684 53.580 22.933 1.00 24.62 C ATOM 2413 OD1 ASN F 37 64.943 54.299 21.966 1.00 23.41 O ATOM 2414 ND2 ASN F 37 65.625 53.078 23.725 1.00 27.66 N ATOM 0 H ASN F 37 63.431 55.182 24.832 1.00 18.69 H new ATOM 0 HA ASN F 37 62.210 54.808 22.461 1.00 20.17 H new ATOM 0 HB2 ASN F 37 63.232 52.754 24.125 1.00 22.04 H new ATOM 0 HB3 ASN F 37 62.906 52.608 22.607 1.00 22.04 H new ATOM 0 HD21 ASN F 37 66.453 53.251 23.572 1.00 27.66 H new ATOM 0 HD22 ASN F 37 65.406 52.580 24.391 1.00 27.66 H new ATOM 2415 N GLY F 38 60.551 54.770 24.952 1.00 21.15 N ATOM 2416 CA GLY F 38 59.261 54.502 25.563 1.00 20.20 C ATOM 2417 C GLY F 38 59.205 53.343 26.543 1.00 19.10 C ATOM 2418 O GLY F 38 58.121 52.955 26.976 1.00 20.72 O ATOM 0 H GLY F 38 60.992 55.415 25.312 1.00 21.15 H new ATOM 0 HA2 GLY F 38 58.971 55.304 26.024 1.00 20.20 H new ATOM 0 HA3 GLY F 38 58.619 54.333 24.856 1.00 20.20 H new ATOM 2419 N ASN F 39 60.355 52.788 26.907 1.00 17.61 N ATOM 2420 CA ASN F 39 60.366 51.668 27.839 1.00 18.88 C ATOM 2421 C ASN F 39 60.522 52.137 29.290 1.00 18.03 C ATOM 2422 O ASN F 39 61.345 53.004 29.587 1.00 15.27 O ATOM 2423 CB ASN F 39 61.479 50.688 27.463 1.00 19.88 C ATOM 2424 CG ASN F 39 61.334 50.167 26.037 1.00 24.02 C ATOM 2425 OD1 ASN F 39 60.258 49.721 25.638 1.00 26.21 O ATOM 2426 ND2 ASN F 39 62.417 50.221 25.265 1.00 23.09 N ATOM 0 H ASN F 39 61.129 53.040 26.631 1.00 17.61 H new ATOM 0 HA ASN F 39 59.510 51.216 27.775 1.00 18.88 H new ATOM 0 HB2 ASN F 39 62.339 51.126 27.559 1.00 19.88 H new ATOM 0 HB3 ASN F 39 61.471 49.940 28.081 1.00 19.88 H new ATOM 0 HD21 ASN F 39 62.381 49.938 24.454 1.00 23.09 H new ATOM 0 HD22 ASN F 39 63.152 50.539 25.577 1.00 23.09 H new ATOM 2427 N LYS F 40 59.715 51.565 30.182 1.00 16.55 N ATOM 2428 CA LYS F 40 59.752 51.915 31.602 1.00 17.20 C ATOM 2429 C LYS F 40 60.938 51.262 32.304 1.00 14.92 C ATOM 2430 O LYS F 40 61.075 50.043 32.298 1.00 13.87 O ATOM 2431 CB LYS F 40 58.453 51.479 32.291 1.00 22.54 C ATOM 2432 CG LYS F 40 57.204 52.191 31.785 1.00 27.78 C ATOM 2433 CD LYS F 40 55.929 51.556 32.340 1.00 32.54 C ATOM 2434 CE LYS F 40 55.743 50.130 31.829 1.00 34.60 C ATOM 2435 NZ LYS F 40 54.506 49.490 32.365 1.00 35.61 N ATOM 0 H LYS F 40 59.132 50.965 29.982 1.00 16.55 H new ATOM 0 HA LYS F 40 59.848 52.878 31.664 1.00 17.20 H new ATOM 0 HB2 LYS F 40 58.340 50.523 32.169 1.00 22.54 H new ATOM 0 HB3 LYS F 40 58.537 51.635 33.245 1.00 22.54 H new ATOM 0 HG2 LYS F 40 57.238 53.126 32.041 1.00 27.78 H new ATOM 0 HG3 LYS F 40 57.185 52.162 30.816 1.00 27.78 H new ATOM 0 HD2 LYS F 40 55.965 51.551 33.309 1.00 32.54 H new ATOM 0 HD3 LYS F 40 55.162 52.094 32.087 1.00 32.54 H new ATOM 0 HE2 LYS F 40 55.706 50.139 30.860 1.00 34.60 H new ATOM 0 HE3 LYS F 40 56.514 49.597 32.078 1.00 34.60 H new ATOM 0 HZ1 LYS F 40 54.211 48.882 31.786 1.00 35.61 H new ATOM 0 HZ2 LYS F 40 54.688 49.096 33.142 1.00 35.61 H new ATOM 0 HZ3 LYS F 40 53.880 50.110 32.487 1.00 35.61 H new ATOM 2436 N GLN F 41 61.788 52.087 32.906 1.00 12.46 N ATOM 2437 CA GLN F 41 62.966 51.615 33.622 1.00 11.30 C ATOM 2438 C GLN F 41 62.772 51.966 35.094 1.00 9.72 C ATOM 2439 O GLN F 41 61.881 52.741 35.436 1.00 8.55 O ATOM 2440 CB GLN F 41 64.227 52.317 33.108 1.00 11.18 C ATOM 2441 CG GLN F 41 64.480 52.197 31.605 1.00 14.88 C ATOM 2442 CD GLN F 41 64.670 50.769 31.146 1.00 14.23 C ATOM 2443 OE1 GLN F 41 65.030 49.899 31.933 1.00 17.70 O ATOM 2444 NE2 GLN F 41 64.435 50.521 29.859 1.00 17.23 N ATOM 0 H GLN F 41 61.696 52.942 32.910 1.00 12.46 H new ATOM 0 HA GLN F 41 63.072 50.660 33.492 1.00 11.30 H new ATOM 0 HB2 GLN F 41 64.171 53.258 33.337 1.00 11.18 H new ATOM 0 HB3 GLN F 41 64.994 51.956 33.579 1.00 11.18 H new ATOM 0 HG2 GLN F 41 63.734 52.588 31.125 1.00 14.88 H new ATOM 0 HG3 GLN F 41 65.268 52.713 31.373 1.00 14.88 H new ATOM 0 HE21 GLN F 41 64.184 51.157 29.337 1.00 17.23 H new ATOM 0 HE22 GLN F 41 64.534 49.725 29.549 1.00 17.23 H new ATOM 2445 N GLN F 42 63.606 51.403 35.959 1.00 8.53 N ATOM 2446 CA GLN F 42 63.503 51.706 37.380 1.00 10.54 C ATOM 2447 C GLN F 42 64.866 51.989 37.988 1.00 9.33 C ATOM 2448 O GLN F 42 65.854 51.318 37.677 1.00 10.02 O ATOM 2449 CB GLN F 42 62.822 50.555 38.118 1.00 11.86 C ATOM 2450 CG GLN F 42 61.401 50.313 37.650 1.00 20.06 C ATOM 2451 CD GLN F 42 60.695 49.263 38.462 1.00 24.06 C ATOM 2452 OE1 GLN F 42 60.588 49.377 39.682 1.00 23.98 O ATOM 2453 NE2 GLN F 42 60.201 48.227 37.791 1.00 27.48 N ATOM 0 H GLN F 42 64.230 50.850 35.748 1.00 8.53 H new ATOM 0 HA GLN F 42 62.964 52.507 37.475 1.00 10.54 H new ATOM 0 HB2 GLN F 42 63.341 49.745 37.994 1.00 11.86 H new ATOM 0 HB3 GLN F 42 62.816 50.745 39.069 1.00 11.86 H new ATOM 0 HG2 GLN F 42 60.902 51.144 37.698 1.00 20.06 H new ATOM 0 HG3 GLN F 42 61.413 50.043 36.718 1.00 20.06 H new ATOM 0 HE21 GLN F 42 60.296 48.183 36.937 1.00 27.48 H new ATOM 0 HE22 GLN F 42 59.786 47.601 38.211 1.00 27.48 H new ATOM 2454 N ILE F 43 64.915 53.013 38.836 1.00 9.50 N ATOM 2455 CA ILE F 43 66.142 53.407 39.510 1.00 7.81 C ATOM 2456 C ILE F 43 65.807 53.729 40.967 1.00 8.72 C ATOM 2457 O ILE F 43 64.761 54.308 41.264 1.00 7.68 O ATOM 2458 CB ILE F 43 66.786 54.636 38.813 1.00 9.30 C ATOM 2459 CG1 ILE F 43 68.155 54.929 39.423 1.00 10.73 C ATOM 2460 CG2 ILE F 43 65.882 55.849 38.934 1.00 7.28 C ATOM 2461 CD1 ILE F 43 68.951 55.982 38.651 1.00 11.85 C ATOM 0 H ILE F 43 64.234 53.499 39.035 1.00 9.50 H new ATOM 0 HA ILE F 43 66.785 52.682 39.470 1.00 7.81 H new ATOM 0 HB ILE F 43 66.902 54.433 37.871 1.00 9.30 H new ATOM 0 HG12 ILE F 43 68.037 55.229 40.338 1.00 10.73 H new ATOM 0 HG13 ILE F 43 68.669 54.107 39.459 1.00 10.73 H new ATOM 0 HG21 ILE F 43 66.297 56.607 38.494 1.00 7.28 H new ATOM 0 HG22 ILE F 43 65.028 55.660 38.514 1.00 7.28 H new ATOM 0 HG23 ILE F 43 65.742 56.056 39.871 1.00 7.28 H new ATOM 0 HD11 ILE F 43 69.807 56.124 39.085 1.00 11.85 H new ATOM 0 HD12 ILE F 43 69.097 55.676 37.742 1.00 11.85 H new ATOM 0 HD13 ILE F 43 68.455 56.815 38.635 1.00 11.85 H new ATOM 2462 N ASN F 44 66.690 53.338 41.875 1.00 6.97 N ATOM 2463 CA ASN F 44 66.467 53.578 43.297 1.00 7.83 C ATOM 2464 C ASN F 44 66.509 55.073 43.591 1.00 7.02 C ATOM 2465 O ASN F 44 67.417 55.765 43.146 1.00 7.83 O ATOM 2466 CB ASN F 44 67.538 52.858 44.118 1.00 7.67 C ATOM 2467 CG ASN F 44 67.169 52.745 45.582 1.00 7.92 C ATOM 2468 OD1 ASN F 44 66.815 53.732 46.220 1.00 8.15 O ATOM 2469 ND2 ASN F 44 67.254 51.535 46.122 1.00 6.12 N ATOM 0 H ASN F 44 67.425 52.932 41.691 1.00 6.97 H new ATOM 0 HA ASN F 44 65.593 53.235 43.540 1.00 7.83 H new ATOM 0 HB2 ASN F 44 67.678 51.970 43.753 1.00 7.67 H new ATOM 0 HB3 ASN F 44 68.379 53.334 44.035 1.00 7.67 H new ATOM 0 HD21 ASN F 44 67.057 51.419 46.951 1.00 6.12 H new ATOM 0 HD22 ASN F 44 67.506 50.867 45.643 1.00 6.12 H new ATOM 2470 N ARG F 45 65.530 55.569 44.342 1.00 7.21 N ATOM 2471 CA ARG F 45 65.490 56.987 44.679 1.00 7.01 C ATOM 2472 C ARG F 45 66.787 57.428 45.353 1.00 7.70 C ATOM 2473 O ARG F 45 67.245 58.554 45.162 1.00 6.50 O ATOM 2474 CB ARG F 45 64.304 57.287 45.598 1.00 9.96 C ATOM 2475 CG ARG F 45 64.184 58.763 45.973 1.00 11.05 C ATOM 2476 CD ARG F 45 62.871 59.044 46.688 1.00 16.05 C ATOM 2477 NE ARG F 45 62.569 57.980 47.635 1.00 25.08 N ATOM 2478 CZ ARG F 45 61.537 57.152 47.527 1.00 20.21 C ATOM 2479 NH1 ARG F 45 60.687 57.266 46.515 1.00 22.76 N ATOM 2480 NH2 ARG F 45 61.365 56.202 48.426 1.00 20.17 N ATOM 0 H ARG F 45 64.883 55.104 44.665 1.00 7.21 H new ATOM 0 HA ARG F 45 65.386 57.484 43.852 1.00 7.01 H new ATOM 0 HB2 ARG F 45 63.486 57.004 45.161 1.00 9.96 H new ATOM 0 HB3 ARG F 45 64.390 56.761 46.408 1.00 9.96 H new ATOM 0 HG2 ARG F 45 64.927 59.016 46.544 1.00 11.05 H new ATOM 0 HG3 ARG F 45 64.243 59.308 45.173 1.00 11.05 H new ATOM 0 HD2 ARG F 45 62.925 59.893 47.154 1.00 16.05 H new ATOM 0 HD3 ARG F 45 62.153 59.121 46.040 1.00 16.05 H new ATOM 0 HE ARG F 45 63.094 57.881 48.309 1.00 25.08 H new ATOM 0 HH11 ARG F 45 60.803 57.879 45.923 1.00 22.76 H new ATOM 0 HH12 ARG F 45 60.020 56.727 46.451 1.00 22.76 H new ATOM 0 HH21 ARG F 45 61.920 56.121 49.078 1.00 20.17 H new ATOM 0 HH22 ARG F 45 60.698 55.663 48.360 1.00 20.17 H new ATOM 2481 N THR F 46 67.379 56.533 46.135 1.00 7.11 N ATOM 2482 CA THR F 46 68.627 56.834 46.829 1.00 10.29 C ATOM 2483 C THR F 46 69.728 57.234 45.843 1.00 11.68 C ATOM 2484 O THR F 46 70.647 57.977 46.196 1.00 11.55 O ATOM 2485 CB THR F 46 69.106 55.614 47.657 1.00 11.00 C ATOM 2486 OG1 THR F 46 68.114 55.280 48.639 1.00 12.12 O ATOM 2487 CG2 THR F 46 70.413 55.925 48.363 1.00 13.26 C ATOM 0 H THR F 46 67.073 55.742 46.278 1.00 7.11 H new ATOM 0 HA THR F 46 68.451 57.579 47.425 1.00 10.29 H new ATOM 0 HB THR F 46 69.243 54.868 47.052 1.00 11.00 H new ATOM 0 HG1 THR F 46 67.947 54.458 48.600 1.00 12.12 H new ATOM 0 HG21 THR F 46 70.696 55.151 48.875 1.00 13.26 H new ATOM 0 HG22 THR F 46 71.092 56.144 47.706 1.00 13.26 H new ATOM 0 HG23 THR F 46 70.287 56.679 48.960 1.00 13.26 H new ATOM 2488 N ASP F 47 69.627 56.752 44.606 1.00 10.96 N ATOM 2489 CA ASP F 47 70.633 57.066 43.588 1.00 12.43 C ATOM 2490 C ASP F 47 70.280 58.294 42.748 1.00 12.45 C ATOM 2491 O ASP F 47 70.971 58.609 41.783 1.00 13.65 O ATOM 2492 CB ASP F 47 70.859 55.851 42.678 1.00 11.60 C ATOM 2493 CG ASP F 47 72.083 56.004 41.774 1.00 17.00 C ATOM 2494 OD1 ASP F 47 73.091 56.596 42.217 1.00 16.44 O ATOM 2495 OD2 ASP F 47 72.046 55.511 40.622 1.00 20.50 O ATOM 0 H ASP F 47 68.988 56.244 44.335 1.00 10.96 H new ATOM 0 HA ASP F 47 71.451 57.281 44.063 1.00 12.43 H new ATOM 0 HB2 ASP F 47 70.964 55.058 43.226 1.00 11.60 H new ATOM 0 HB3 ASP F 47 70.072 55.714 42.128 1.00 11.60 H new ATOM 2496 N VAL F 48 69.203 58.987 43.105 1.00 10.19 N ATOM 2497 CA VAL F 48 68.820 60.189 42.373 1.00 9.98 C ATOM 2498 C VAL F 48 69.021 61.416 43.265 1.00 10.75 C ATOM 2499 O VAL F 48 68.285 61.622 44.227 1.00 11.25 O ATOM 2500 CB VAL F 48 67.349 60.140 41.909 1.00 9.35 C ATOM 2501 CG1 VAL F 48 67.027 61.384 41.071 1.00 8.57 C ATOM 2502 CG2 VAL F 48 67.092 58.868 41.101 1.00 10.61 C ATOM 0 H VAL F 48 68.686 58.781 43.761 1.00 10.19 H new ATOM 0 HA VAL F 48 69.382 60.243 41.585 1.00 9.98 H new ATOM 0 HB VAL F 48 66.771 60.129 42.688 1.00 9.35 H new ATOM 0 HG11 VAL F 48 66.102 61.349 40.782 1.00 8.57 H new ATOM 0 HG12 VAL F 48 67.168 62.180 41.606 1.00 8.57 H new ATOM 0 HG13 VAL F 48 67.607 61.410 40.294 1.00 8.57 H new ATOM 0 HG21 VAL F 48 66.165 58.848 40.815 1.00 10.61 H new ATOM 0 HG22 VAL F 48 67.671 58.856 40.323 1.00 10.61 H new ATOM 0 HG23 VAL F 48 67.277 58.091 41.652 1.00 10.61 H new ATOM 2503 N LYS F 49 70.021 62.228 42.936 1.00 9.90 N ATOM 2504 CA LYS F 49 70.328 63.423 43.714 1.00 11.20 C ATOM 2505 C LYS F 49 69.354 64.567 43.446 1.00 10.05 C ATOM 2506 O LYS F 49 68.860 65.213 44.375 1.00 8.80 O ATOM 2507 CB LYS F 49 71.752 63.895 43.408 1.00 14.88 C ATOM 2508 CG LYS F 49 72.111 65.220 44.065 1.00 20.37 C ATOM 2509 CD LYS F 49 72.460 65.033 45.528 1.00 26.00 C ATOM 2510 CE LYS F 49 73.851 64.444 45.674 1.00 28.75 C ATOM 2511 NZ LYS F 49 74.129 64.003 47.072 1.00 33.14 N ATOM 0 H LYS F 49 70.538 62.103 42.260 1.00 9.90 H new ATOM 0 HA LYS F 49 70.244 63.178 44.649 1.00 11.20 H new ATOM 0 HB2 LYS F 49 72.380 63.216 43.702 1.00 14.88 H new ATOM 0 HB3 LYS F 49 71.857 63.980 42.447 1.00 14.88 H new ATOM 0 HG2 LYS F 49 72.862 65.621 43.600 1.00 20.37 H new ATOM 0 HG3 LYS F 49 71.366 65.836 43.984 1.00 20.37 H new ATOM 0 HD2 LYS F 49 72.414 65.886 45.988 1.00 26.00 H new ATOM 0 HD3 LYS F 49 71.810 64.449 45.949 1.00 26.00 H new ATOM 0 HE2 LYS F 49 73.946 63.689 45.073 1.00 28.75 H new ATOM 0 HE3 LYS F 49 74.510 65.104 45.407 1.00 28.75 H new ATOM 0 HZ1 LYS F 49 74.626 63.265 47.057 1.00 33.14 H new ATOM 0 HZ2 LYS F 49 74.566 64.646 47.505 1.00 33.14 H new ATOM 0 HZ3 LYS F 49 73.361 63.835 47.489 1.00 33.14 H new ATOM 2512 N GLU F 50 69.101 64.834 42.172 1.00 9.25 N ATOM 2513 CA GLU F 50 68.192 65.901 41.796 1.00 12.27 C ATOM 2514 C GLU F 50 67.527 65.645 40.462 1.00 12.54 C ATOM 2515 O GLU F 50 67.951 64.783 39.686 1.00 12.99 O ATOM 2516 CB GLU F 50 68.919 67.257 41.774 1.00 15.60 C ATOM 2517 CG GLU F 50 70.322 67.230 41.201 1.00 23.28 C ATOM 2518 CD GLU F 50 70.995 68.598 41.246 1.00 27.66 C ATOM 2519 OE1 GLU F 50 71.124 69.237 40.179 1.00 30.00 O ATOM 2520 OE2 GLU F 50 71.383 69.038 42.351 1.00 29.66 O ATOM 0 H GLU F 50 69.447 64.407 41.510 1.00 9.25 H new ATOM 0 HA GLU F 50 67.495 65.926 42.470 1.00 12.27 H new ATOM 0 HB2 GLU F 50 68.387 67.884 41.259 1.00 15.60 H new ATOM 0 HB3 GLU F 50 68.962 67.599 42.681 1.00 15.60 H new ATOM 0 HG2 GLU F 50 70.859 66.592 41.697 1.00 23.28 H new ATOM 0 HG3 GLU F 50 70.288 66.919 40.283 1.00 23.28 H new HETATM 2521 N MSE F 51 66.470 66.401 40.206 1.00 12.81 N HETATM 2522 CA MSE F 51 65.720 66.263 38.970 1.00 15.67 C HETATM 2523 C MSE F 51 65.168 67.627 38.586 1.00 14.09 C HETATM 2524 O MSE F 51 64.884 68.451 39.452 1.00 13.79 O HETATM 2525 CB MSE F 51 64.572 65.289 39.201 1.00 18.77 C HETATM 2526 CG MSE F 51 63.939 64.725 37.962 1.00 27.28 C HETATM 2527 SE MSE F 51 62.430 63.653 38.485 1.00 37.25 SE HETATM 2528 CE MSE F 51 63.268 62.502 39.769 1.00 28.33 C HETATM 0 H MSE F 51 66.169 67.004 40.740 1.00 12.81 H new HETATM 0 HA MSE F 51 66.289 65.929 38.259 1.00 15.67 H new HETATM 0 HB2 MSE F 51 64.898 64.553 39.742 1.00 18.77 H new HETATM 0 HB3 MSE F 51 63.886 65.739 39.719 1.00 18.77 H new HETATM 0 HG2 MSE F 51 63.656 65.441 37.372 1.00 27.28 H new HETATM 0 HG3 MSE F 51 64.580 64.188 37.470 1.00 27.28 H new HETATM 0 HE1 MSE F 51 62.611 61.887 40.130 1.00 28.33 H new HETATM 0 HE2 MSE F 51 63.978 62.000 39.339 1.00 28.33 H new HETATM 0 HE3 MSE F 51 63.640 63.036 40.488 1.00 28.33 H new ATOM 2529 N VAL F 52 65.027 67.872 37.290 1.00 14.62 N ATOM 2530 CA VAL F 52 64.489 69.143 36.828 1.00 15.86 C ATOM 2531 C VAL F 52 63.963 68.994 35.408 1.00 16.21 C ATOM 2532 O VAL F 52 64.446 68.156 34.644 1.00 14.52 O ATOM 2533 CB VAL F 52 65.563 70.259 36.880 1.00 16.59 C ATOM 2534 CG1 VAL F 52 66.711 69.926 35.946 1.00 16.21 C ATOM 2535 CG2 VAL F 52 64.940 71.610 36.519 1.00 17.25 C ATOM 0 H VAL F 52 65.235 67.319 36.665 1.00 14.62 H new ATOM 0 HA VAL F 52 63.762 69.397 37.418 1.00 15.86 H new ATOM 0 HB VAL F 52 65.913 70.317 37.783 1.00 16.59 H new ATOM 0 HG11 VAL F 52 67.376 70.631 35.987 1.00 16.21 H new ATOM 0 HG12 VAL F 52 67.114 69.086 36.215 1.00 16.21 H new ATOM 0 HG13 VAL F 52 66.378 69.849 35.038 1.00 16.21 H new ATOM 0 HG21 VAL F 52 65.621 72.300 36.555 1.00 17.25 H new ATOM 0 HG22 VAL F 52 64.570 71.567 35.623 1.00 17.25 H new ATOM 0 HG23 VAL F 52 64.234 71.820 37.150 1.00 17.25 H new ATOM 2536 N ALA F 53 62.961 69.793 35.062 1.00 18.51 N ATOM 2537 CA ALA F 53 62.384 69.738 33.724 1.00 23.18 C ATOM 2538 C ALA F 53 63.340 70.363 32.716 1.00 26.49 C ATOM 2539 O ALA F 53 64.079 71.291 33.042 1.00 26.43 O ATOM 2540 CB ALA F 53 61.044 70.465 33.700 1.00 24.53 C ATOM 0 H ALA F 53 62.601 70.373 35.585 1.00 18.51 H new ATOM 0 HA ALA F 53 62.239 68.810 33.483 1.00 23.18 H new ATOM 0 HB1 ALA F 53 60.669 70.423 32.807 1.00 24.53 H new ATOM 0 HB2 ALA F 53 60.435 70.043 34.326 1.00 24.53 H new ATOM 0 HB3 ALA F 53 61.174 71.393 33.952 1.00 24.53 H new ATOM 2541 N LEU F 54 63.324 69.845 31.493 1.00 31.23 N ATOM 2542 CA LEU F 54 64.191 70.353 30.433 1.00 36.28 C ATOM 2543 C LEU F 54 63.541 71.485 29.650 1.00 38.69 C ATOM 2544 O LEU F 54 62.636 72.160 30.138 1.00 40.40 O ATOM 2545 CB LEU F 54 64.557 69.231 29.464 1.00 36.81 C ATOM 2546 CG LEU F 54 65.532 68.157 29.947 1.00 38.95 C ATOM 2547 CD1 LEU F 54 65.581 67.029 28.932 1.00 38.24 C ATOM 2548 CD2 LEU F 54 66.910 68.770 30.142 1.00 38.77 C ATOM 0 H LEU F 54 62.815 69.194 31.254 1.00 31.23 H new ATOM 0 HA LEU F 54 64.988 70.699 30.865 1.00 36.28 H new ATOM 0 HB2 LEU F 54 63.736 68.789 29.197 1.00 36.81 H new ATOM 0 HB3 LEU F 54 64.933 69.637 28.667 1.00 36.81 H new ATOM 0 HG LEU F 54 65.234 67.797 30.797 1.00 38.95 H new ATOM 0 HD11 LEU F 54 66.199 66.346 29.236 1.00 38.24 H new ATOM 0 HD12 LEU F 54 64.696 66.643 28.834 1.00 38.24 H new ATOM 0 HD13 LEU F 54 65.879 67.376 28.077 1.00 38.24 H new ATOM 0 HD21 LEU F 54 67.528 68.088 30.448 1.00 38.77 H new ATOM 0 HD22 LEU F 54 67.224 69.135 29.300 1.00 38.77 H new ATOM 0 HD23 LEU F 54 66.859 69.479 30.802 1.00 38.77 H new ATOM 2549 N GLU F 55 64.016 71.677 28.424 1.00 41.77 N ATOM 2550 CA GLU F 55 63.510 72.715 27.538 1.00 43.99 C ATOM 2551 C GLU F 55 62.151 72.326 26.964 1.00 44.68 C ATOM 2552 O GLU F 55 62.033 72.255 25.722 1.00 45.49 O ATOM 2553 CB GLU F 55 64.510 72.946 26.403 1.00 45.60 C ATOM 2554 CG GLU F 55 65.899 73.340 26.886 1.00 48.49 C ATOM 2555 CD GLU F 55 66.936 73.320 25.778 1.00 49.52 C ATOM 2556 OE1 GLU F 55 66.729 74.000 24.750 1.00 48.89 O ATOM 2557 OE2 GLU F 55 67.962 72.623 25.941 1.00 50.20 O ATOM 0 H GLU F 55 64.647 71.203 28.081 1.00 41.77 H new ATOM 0 HA GLU F 55 63.400 73.533 28.048 1.00 43.99 H new ATOM 0 HB2 GLU F 55 64.578 72.137 25.872 1.00 45.60 H new ATOM 0 HB3 GLU F 55 64.170 73.641 25.819 1.00 45.60 H new ATOM 0 HG2 GLU F 55 65.862 74.229 27.272 1.00 48.49 H new ATOM 0 HG3 GLU F 55 66.175 72.735 27.592 1.00 48.49 H new TER 2558 GLU F 55 HETATM 2559 O HOH A 65 63.633 46.547 51.116 1.00 7.53 O HETATM 2560 O HOH A 66 70.982 52.879 45.237 1.00 8.95 O HETATM 2561 O HOH A 67 55.663 45.893 52.753 1.00 9.01 O HETATM 2562 O HOH A 68 53.788 44.680 56.632 1.00 12.69 O HETATM 2563 O HOH A 69 70.535 52.135 48.151 1.00 14.38 O HETATM 2564 O HOH A 70 66.247 48.378 54.688 1.00 14.89 O HETATM 2565 O HOH A 71 64.379 48.775 52.501 1.00 15.88 O HETATM 2566 O HOH A 72 59.957 38.775 39.650 1.00 16.96 O HETATM 2567 O HOH A 73 56.194 49.297 47.458 1.00 18.14 O HETATM 2568 O HOH A 74 53.825 39.919 49.311 1.00 19.79 O HETATM 2569 O HOH A 75 57.602 39.031 41.052 1.00 20.46 O HETATM 2570 O HOH A 76 59.826 34.486 49.758 1.00 21.15 O HETATM 2571 O HOH A 77 53.707 45.062 46.422 1.00 21.76 O HETATM 2572 O HOH A 78 66.298 43.860 25.684 1.00 23.40 O HETATM 2573 O HOH A 79 53.963 45.853 49.822 1.00 23.67 O HETATM 2574 O HOH A 80 59.702 48.681 51.751 1.00 24.02 O HETATM 2575 O HOH A 81 76.487 39.162 38.242 1.00 24.63 O HETATM 2576 O HOH A 82 65.842 40.953 25.517 1.00 26.25 O HETATM 2577 O HOH A 83 56.872 48.364 52.252 1.00 26.84 O HETATM 2578 O HOH A 84 67.029 35.657 48.333 1.00 27.03 O HETATM 2579 O HOH A 85 75.603 45.992 39.763 1.00 27.99 O HETATM 2580 O HOH A 86 54.957 43.614 40.353 1.00 28.53 O HETATM 2581 O HOH A 87 58.165 36.893 48.683 1.00 28.69 O HETATM 2582 O HOH A 88 51.386 45.337 53.834 1.00 29.48 O HETATM 2583 O HOH A 89 67.778 34.810 38.299 1.00 31.40 O HETATM 2584 O HOH A 90 60.139 49.261 34.801 1.00 31.65 O HETATM 2585 O HOH A 91 75.224 45.704 49.203 1.00 31.87 O HETATM 2586 O HOH A 92 62.642 38.823 28.174 1.00 31.99 O HETATM 2587 O HOH A 93 57.497 38.462 43.661 1.00 34.43 O HETATM 2588 O HOH A 94 64.344 50.944 50.743 1.00 37.78 O HETATM 2589 O HOH A 95 75.002 37.883 36.096 1.00 38.77 O HETATM 2590 O HOH A 96 54.811 48.153 34.960 1.00 39.98 O HETATM 2591 O HOH A 97 67.966 32.638 42.638 1.00 40.87 O HETATM 2592 O HOH A 98 59.209 27.596 43.425 1.00 49.65 O HETATM 2593 O HOH B 65 55.494 61.186 47.430 1.00 10.29 O HETATM 2594 O HOH B 66 63.590 62.426 48.851 1.00 10.69 O HETATM 2595 O HOH B 67 71.065 64.673 57.091 1.00 11.19 O HETATM 2596 O HOH B 68 66.123 58.513 48.840 1.00 12.25 O HETATM 2597 O HOH B 69 64.417 60.259 50.065 1.00 12.55 O HETATM 2598 O HOH B 70 67.889 70.606 43.195 1.00 14.38 O HETATM 2599 O HOH B 71 53.700 58.526 44.515 1.00 15.21 O HETATM 2600 O HOH B 72 53.676 67.200 44.269 1.00 16.83 O HETATM 2601 O HOH B 73 64.400 60.694 52.917 1.00 16.91 O HETATM 2602 O HOH B 74 70.630 62.537 55.072 1.00 17.30 O HETATM 2603 O HOH B 75 56.235 64.482 53.388 1.00 17.70 O HETATM 2604 O HOH B 76 57.326 74.725 47.079 1.00 18.62 O HETATM 2605 O HOH B 77 59.566 76.107 47.042 1.00 19.38 O HETATM 2606 O HOH B 78 55.745 68.699 43.547 1.00 20.46 O HETATM 2607 O HOH B 79 68.276 58.318 50.109 1.00 21.31 O HETATM 2608 O HOH B 80 69.328 56.762 52.110 1.00 22.16 O HETATM 2609 O HOH B 81 56.742 60.410 49.856 1.00 22.78 O HETATM 2610 O HOH B 82 67.142 70.458 40.721 1.00 23.13 O HETATM 2611 O HOH B 83 59.596 61.091 50.357 1.00 25.56 O HETATM 2612 O HOH B 84 53.793 63.698 49.147 1.00 26.54 O HETATM 2613 O HOH B 85 68.147 72.868 62.291 1.00 26.79 O HETATM 2614 O HOH B 86 75.299 77.457 48.022 1.00 27.43 O HETATM 2615 O HOH B 87 56.988 72.627 45.261 1.00 27.70 O HETATM 2616 O HOH B 88 61.080 71.160 36.987 1.00 27.81 O HETATM 2617 O HOH B 89 67.591 79.541 44.428 1.00 28.07 O HETATM 2618 O HOH B 90 53.690 67.268 49.862 1.00 28.44 O HETATM 2619 O HOH B 91 52.045 60.774 46.653 1.00 28.51 O HETATM 2620 O HOH B 92 61.288 78.115 59.833 1.00 28.55 O HETATM 2621 O HOH B 93 75.354 65.057 49.312 1.00 29.01 O HETATM 2622 O HOH B 94 74.168 79.934 48.284 1.00 29.08 O HETATM 2623 O HOH B 95 69.977 80.210 46.501 1.00 29.80 O HETATM 2624 O HOH B 96 57.933 69.090 41.224 1.00 30.00 O HETATM 2625 O HOH B 97 50.224 62.941 39.476 1.00 30.73 O HETATM 2626 O HOH B 98 69.367 76.135 59.148 1.00 31.61 O HETATM 2627 O HOH B 99 59.815 77.913 35.313 1.00 33.10 O HETATM 2628 O HOH B 100 73.981 63.329 51.741 1.00 35.28 O HETATM 2629 O HOH B 101 55.359 78.758 54.713 1.00 35.69 O HETATM 2630 O HOH B 102 64.634 88.397 54.589 1.00 38.75 O HETATM 2631 O HOH B 103 61.382 91.054 59.968 1.00 39.54 O HETATM 2632 O HOH B 104 76.392 80.564 49.810 1.00 39.82 O HETATM 2633 O HOH B 105 59.763 82.912 55.233 1.00 41.14 O HETATM 2634 O HOH B 106 54.485 71.036 44.937 1.00 44.20 O HETATM 2635 O HOH B 107 60.499 85.008 53.726 1.00 44.95 O HETATM 2636 O HOH B 108 52.226 65.280 38.094 1.00 45.53 O HETATM 2637 O HOH B 109 57.956 80.206 36.663 1.00 46.88 O HETATM 2638 O HOH B 110 49.936 62.787 36.659 1.00 50.09 O HETATM 2639 O HOH B 111 48.871 66.209 47.944 1.00 35.89 O HETATM 2640 O HOH C 65 51.371 55.975 42.352 1.00 5.60 O HETATM 2641 O HOH C 66 49.039 63.244 47.534 1.00 13.64 O HETATM 2642 O HOH C 67 49.054 60.435 39.524 1.00 14.24 O HETATM 2643 O HOH C 68 39.194 57.525 45.556 1.00 14.45 O HETATM 2644 O HOH C 69 47.331 59.490 46.354 1.00 15.99 O HETATM 2645 O HOH C 70 38.184 57.339 48.083 1.00 16.59 O HETATM 2646 O HOH C 71 46.388 52.803 45.524 1.00 16.81 O HETATM 2647 O HOH C 72 43.372 53.813 32.277 1.00 17.46 O HETATM 2648 O HOH C 73 36.490 59.277 49.180 1.00 17.83 O HETATM 2649 O HOH C 74 38.145 54.674 48.763 1.00 18.03 O HETATM 2650 O HOH C 75 32.121 51.732 47.627 1.00 20.25 O HETATM 2651 O HOH C 76 52.282 66.184 41.624 1.00 21.70 O HETATM 2652 O HOH C 77 45.883 54.675 33.609 1.00 22.13 O HETATM 2653 O HOH C 78 34.157 57.969 49.694 1.00 22.67 O HETATM 2654 O HOH C 79 31.589 49.447 46.283 1.00 24.69 O HETATM 2655 O HOH C 80 43.101 56.860 47.719 1.00 25.29 O HETATM 2656 O HOH C 81 46.096 57.619 47.822 1.00 25.75 O HETATM 2657 O HOH C 82 27.389 53.090 30.947 1.00 26.40 O HETATM 2658 O HOH C 83 51.497 57.942 45.697 1.00 27.92 O HETATM 2659 O HOH C 84 28.863 52.126 29.024 1.00 28.74 O HETATM 2660 O HOH C 85 34.909 59.599 35.635 1.00 30.25 O HETATM 2661 O HOH C 86 45.957 57.019 34.917 1.00 30.79 O HETATM 2662 O HOH C 87 28.759 54.850 45.291 1.00 31.17 O HETATM 2663 O HOH C 88 42.743 63.845 35.731 1.00 34.22 O HETATM 2664 O HOH C 89 49.051 54.955 41.654 1.00 34.22 O HETATM 2665 O HOH C 90 48.156 49.784 31.052 1.00 34.56 O HETATM 2666 O HOH C 91 48.267 51.353 36.368 1.00 35.01 O HETATM 2667 O HOH C 92 49.040 56.930 44.745 1.00 35.22 O HETATM 2668 O HOH C 93 34.355 54.634 28.747 1.00 37.68 O HETATM 2669 O HOH C 94 33.704 56.985 52.260 1.00 38.39 O HETATM 2670 O HOH C 95 47.827 45.044 33.564 1.00 38.48 O HETATM 2671 O HOH C 96 38.871 53.974 27.465 1.00 39.52 O HETATM 2672 O HOH C 97 42.450 44.888 26.020 1.00 40.39 O HETATM 2673 O HOH C 98 44.736 62.399 36.799 1.00 41.15 O HETATM 2674 O HOH C 99 48.284 58.234 35.556 1.00 48.23 O HETATM 2675 O HOH C 100 28.418 43.173 37.131 1.00 48.87 O HETATM 2676 O HOH C 101 22.932 50.525 33.994 1.00 49.68 O HETATM 2677 O HOH D 65 51.366 44.845 47.490 1.00 6.23 O HETATM 2678 O HOH D 66 39.123 48.688 47.676 1.00 12.23 O HETATM 2679 O HOH D 67 48.880 53.039 43.985 1.00 13.00 O HETATM 2680 O HOH D 68 47.101 50.298 46.597 1.00 13.40 O HETATM 2681 O HOH D 69 38.197 50.878 49.296 1.00 13.76 O HETATM 2682 O HOH D 70 46.393 46.429 51.868 1.00 15.57 O HETATM 2683 O HOH D 71 36.274 52.833 48.016 1.00 16.65 O HETATM 2684 O HOH D 72 32.184 47.856 54.093 1.00 18.41 O HETATM 2685 O HOH D 73 38.043 50.385 52.002 1.00 19.26 O HETATM 2686 O HOH D 74 49.019 43.940 48.120 1.00 19.61 O HETATM 2687 O HOH D 75 45.797 39.022 43.052 1.00 20.36 O HETATM 2688 O HOH D 76 48.917 44.623 42.599 1.00 20.89 O HETATM 2689 O HOH D 77 42.910 35.287 44.718 1.00 21.11 O HETATM 2690 O HOH D 78 48.742 47.433 48.009 1.00 22.31 O HETATM 2691 O HOH D 79 42.976 50.279 49.481 1.00 23.16 O HETATM 2692 O HOH D 80 32.593 31.290 43.506 1.00 23.73 O HETATM 2693 O HOH D 81 31.755 45.428 55.510 1.00 24.08 O HETATM 2694 O HOH D 82 45.285 36.634 44.821 1.00 24.73 O HETATM 2695 O HOH D 83 42.972 43.084 37.558 1.00 25.28 O HETATM 2696 O HOH D 84 41.558 41.304 34.832 1.00 25.71 O HETATM 2697 O HOH D 85 52.532 49.518 38.473 1.00 26.93 O HETATM 2698 O HOH D 86 35.521 41.745 39.077 1.00 27.15 O HETATM 2699 O HOH D 87 34.097 52.690 49.370 1.00 27.76 O HETATM 2700 O HOH D 88 34.173 36.364 40.621 1.00 29.48 O HETATM 2701 O HOH D 89 47.939 37.660 48.955 1.00 31.70 O HETATM 2702 O HOH D 90 50.169 48.427 36.247 1.00 35.93 O HETATM 2703 O HOH D 91 46.997 32.875 43.410 1.00 38.55 O HETATM 2704 O HOH D 92 45.750 50.725 49.031 1.00 39.05 O HETATM 2705 O HOH D 93 34.075 29.395 42.099 1.00 41.06 O HETATM 2706 O HOH D 94 40.258 27.957 44.043 1.00 41.68 O HETATM 2707 O HOH D 95 39.808 52.358 53.205 1.00 44.41 O HETATM 2708 O HOH D 96 52.490 49.653 35.472 1.00 45.72 O HETATM 2709 O HOH E 65 51.317 66.242 49.202 1.00 6.28 O HETATM 2710 O HOH E 66 39.067 63.935 52.318 1.00 11.37 O HETATM 2711 O HOH E 67 47.202 64.361 54.311 1.00 12.32 O HETATM 2712 O HOH E 68 36.465 61.782 55.574 1.00 14.70 O HETATM 2713 O HOH E 69 38.117 61.558 53.394 1.00 14.97 O HETATM 2714 O HOH E 70 46.406 61.733 48.124 1.00 15.48 O HETATM 2715 O HOH E 71 48.923 65.322 58.177 1.00 16.00 O HETATM 2716 O HOH E 72 38.060 59.731 51.446 1.00 16.91 O HETATM 2717 O HOH E 73 49.113 70.490 51.313 1.00 17.12 O HETATM 2718 O HOH E 74 34.211 60.644 54.787 1.00 17.83 O HETATM 2719 O HOH E 75 45.443 72.945 43.776 1.00 18.62 O HETATM 2720 O HOH E 76 43.067 61.740 52.680 1.00 19.63 O HETATM 2721 O HOH E 77 51.612 64.234 52.493 1.00 22.73 O HETATM 2722 O HOH E 78 43.093 73.914 42.514 1.00 22.77 O HETATM 2723 O HOH E 79 34.541 73.340 48.964 1.00 22.86 O HETATM 2724 O HOH E 80 31.783 58.929 45.418 1.00 24.53 O HETATM 2725 O HOH E 81 50.307 72.308 53.961 1.00 25.47 O HETATM 2726 O HOH E 82 32.037 59.030 48.372 1.00 26.61 O HETATM 2727 O HOH E 83 32.704 76.610 40.065 1.00 26.76 O HETATM 2728 O HOH E 84 46.138 62.006 53.460 1.00 27.78 O HETATM 2729 O HOH E 85 52.453 71.968 57.775 1.00 27.91 O HETATM 2730 O HOH E 86 43.343 75.264 49.669 1.00 27.96 O HETATM 2731 O HOH E 87 36.117 62.116 35.148 1.00 32.34 O HETATM 2732 O HOH E 88 27.214 73.880 40.921 1.00 36.45 O HETATM 2733 O HOH E 89 29.160 57.918 47.738 1.00 38.30 O HETATM 2734 O HOH E 90 44.132 75.100 52.262 1.00 38.52 O HETATM 2735 O HOH E 91 50.885 68.753 48.301 1.00 39.48 O HETATM 2736 O HOH E 92 29.268 75.959 46.244 1.00 43.25 O HETATM 2737 O HOH E 93 47.972 74.470 33.859 1.00 44.72 O HETATM 2738 O HOH E 94 53.053 62.065 51.789 1.00 45.33 O HETATM 2739 O HOH E 95 48.631 71.798 42.194 1.00 45.88 O HETATM 2740 O HOH E 96 43.557 75.674 30.253 1.00 47.98 O HETATM 2741 O HOH E 97 27.812 66.468 40.249 1.00 48.57 O HETATM 2742 O HOH E 98 30.438 76.540 42.288 1.00 49.85 O HETATM 2743 O HOH F 65 63.551 53.829 45.648 1.00 6.56 O HETATM 2744 O HOH F 66 53.781 48.033 46.492 1.00 10.40 O HETATM 2745 O HOH F 67 55.425 51.945 46.013 1.00 11.63 O HETATM 2746 O HOH F 68 70.459 59.429 48.519 1.00 12.25 O HETATM 2747 O HOH F 69 70.985 62.287 47.577 1.00 12.38 O HETATM 2748 O HOH F 70 59.272 59.079 32.921 1.00 12.71 O HETATM 2749 O HOH F 71 64.577 53.816 48.127 1.00 13.23 O HETATM 2750 O HOH F 72 68.468 53.020 49.688 1.00 14.47 O HETATM 2751 O HOH F 73 66.223 51.875 49.053 1.00 14.50 O HETATM 2752 O HOH F 74 53.707 52.045 38.940 1.00 15.13 O HETATM 2753 O HOH F 75 61.684 60.063 22.625 1.00 17.76 O HETATM 2754 O HOH F 76 59.651 54.314 47.707 1.00 17.81 O HETATM 2755 O HOH F 77 56.072 58.609 46.223 1.00 18.99 O HETATM 2756 O HOH F 78 68.979 60.284 28.607 1.00 19.39 O HETATM 2757 O HOH F 79 56.872 53.545 47.993 1.00 20.64 O HETATM 2758 O HOH F 80 64.504 56.415 49.194 1.00 21.37 O HETATM 2759 O HOH F 81 57.149 55.784 34.900 1.00 21.73 O HETATM 2760 O HOH F 82 57.105 58.340 33.940 1.00 22.00 O HETATM 2761 O HOH F 83 68.040 53.167 35.590 1.00 22.78 O HETATM 2762 O HOH F 84 66.548 57.559 26.593 1.00 22.89 O HETATM 2763 O HOH F 85 61.644 69.232 38.667 1.00 23.34 O HETATM 2764 O HOH F 86 50.417 46.039 40.128 1.00 23.55 O HETATM 2765 O HOH F 87 53.594 54.686 44.614 1.00 23.98 O HETATM 2766 O HOH F 88 67.354 55.354 22.194 1.00 24.29 O HETATM 2767 O HOH F 89 75.404 62.955 38.374 1.00 24.90 O HETATM 2768 O HOH F 90 64.959 51.291 25.915 1.00 25.47 O HETATM 2769 O HOH F 91 66.785 57.924 29.235 1.00 25.61 O HETATM 2770 O HOH F 92 53.583 57.241 41.794 1.00 26.77 O HETATM 2771 O HOH F 93 52.426 46.000 37.489 1.00 26.84 O HETATM 2772 O HOH F 94 72.712 63.234 49.296 1.00 27.39 O HETATM 2773 O HOH F 95 64.413 60.392 27.064 1.00 27.50 O HETATM 2774 O HOH F 96 59.136 57.856 25.106 1.00 28.33 O HETATM 2775 O HOH F 97 68.694 69.243 38.805 1.00 28.78 O HETATM 2776 O HOH F 98 54.583 61.388 36.938 1.00 31.30 O HETATM 2777 O HOH F 99 55.251 67.349 34.143 1.00 32.89 O HETATM 2778 O HOH F 100 69.167 53.208 26.180 1.00 33.91 O HETATM 2779 O HOH F 101 76.205 63.065 34.487 1.00 34.71 O HETATM 2780 O HOH F 102 68.747 55.547 24.522 1.00 34.94 O HETATM 2781 O HOH F 103 57.856 49.798 29.179 1.00 36.75 O HETATM 2782 O HOH F 104 60.732 68.808 27.114 1.00 36.80 O HETATM 2783 O HOH F 105 59.309 48.226 31.159 1.00 37.77 O HETATM 2784 O HOH F 106 77.969 59.372 32.919 1.00 38.05 O HETATM 2785 O HOH F 107 54.473 63.673 32.664 1.00 38.26 O HETATM 2786 O HOH F 108 55.669 51.858 36.907 1.00 38.45 O HETATM 2787 O HOH F 109 80.045 61.816 35.149 1.00 38.87 O HETATM 2788 O HOH F 110 54.156 67.903 38.474 1.00 39.30 O HETATM 2789 O HOH F 111 61.741 53.577 49.631 1.00 45.87 O HETATM 2790 O HOH F 112 63.176 73.886 34.194 1.00 46.30 O HETATM 2791 O HOH F 113 58.534 54.829 21.079 1.00 48.38 O HETATM 2792 O HOH F 114 50.555 56.550 39.837 1.00 48.58 O HETATM 2793 O HOH F 115 77.500 61.558 41.286 1.00 48.98 O HETATM 2794 O HOH F 116 66.597 49.844 24.052 1.00 49.76 O CONECT 30 35 CONECT 35 30 36 CONECT 36 35 37 39 CONECT 37 36 38 43 CONECT 38 37 CONECT 39 36 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 CONECT 43 37 CONECT 196 198 CONECT 198 196 199 CONECT 199 198 200 202 CONECT 200 199 201 206 CONECT 201 200 CONECT 202 199 203 CONECT 203 202 204 CONECT 204 203 205 CONECT 205 204 CONECT 206 200 CONECT 361 368 CONECT 368 361 369 CONECT 369 368 370 372 CONECT 370 369 371 376 CONECT 371 370 CONECT 372 369 373 CONECT 373 372 374 CONECT 374 373 375 CONECT 375 374 CONECT 376 370 CONECT 431 432 CONECT 432 431 433 435 CONECT 433 432 434 439 CONECT 434 433 CONECT 435 432 436 CONECT 436 435 437 CONECT 437 436 438 CONECT 438 437 CONECT 439 433 CONECT 478 483 CONECT 483 478 484 CONECT 484 483 485 487 CONECT 485 484 486 491 CONECT 486 485 CONECT 487 484 488 CONECT 488 487 489 CONECT 489 488 490 CONECT 490 489 CONECT 491 485 CONECT 644 646 CONECT 646 644 647 CONECT 647 646 648 650 CONECT 648 647 649 654 CONECT 649 648 CONECT 650 647 651 CONECT 651 650 652 CONECT 652 651 653 CONECT 653 652 CONECT 654 648 CONECT 809 816 CONECT 816 809 817 CONECT 817 816 818 820 CONECT 818 817 819 824 CONECT 819 818 CONECT 820 817 821 CONECT 821 820 822 CONECT 822 821 823 CONECT 823 822 CONECT 824 818 CONECT 922 927 CONECT 927 922 928 CONECT 928 927 929 931 CONECT 929 928 930 935 CONECT 930 929 CONECT 931 928 932 CONECT 932 931 933 CONECT 933 932 934 CONECT 934 933 CONECT 935 929 CONECT 1088 1090 CONECT 1090 1088 1091 CONECT 1091 1090 1092 1094 CONECT 1092 1091 1093 1098 CONECT 1093 1092 CONECT 1094 1091 1095 CONECT 1095 1094 1096 CONECT 1096 1095 1097 CONECT 1097 1096 CONECT 1098 1092 CONECT 1253 1260 CONECT 1260 1253 1261 CONECT 1261 1260 1262 1264 CONECT 1262 1261 1263 1268 CONECT 1263 1262 CONECT 1264 1261 1265 CONECT 1265 1264 1266 CONECT 1266 1265 1267 CONECT 1267 1266 CONECT 1268 1262 CONECT 1353 1358 CONECT 1358 1353 1359 CONECT 1359 1358 1360 1362 CONECT 1360 1359 1361 1366 CONECT 1361 1360 CONECT 1362 1359 1363 CONECT 1363 1362 1364 CONECT 1364 1363 1365 CONECT 1365 1364 CONECT 1366 1360 CONECT 1519 1521 CONECT 1521 1519 1522 CONECT 1522 1521 1523 1525 CONECT 1523 1522 1524 1529 CONECT 1524 1523 CONECT 1525 1522 1526 CONECT 1526 1525 1527 CONECT 1527 1526 1528 CONECT 1528 1527 CONECT 1529 1523 CONECT 1684 1691 CONECT 1691 1684 1692 CONECT 1692 1691 1693 1695 CONECT 1693 1692 1694 1699 CONECT 1694 1693 CONECT 1695 1692 1696 CONECT 1696 1695 1697 CONECT 1697 1696 1698 CONECT 1698 1697 CONECT 1699 1693 CONECT 1766 1771 CONECT 1771 1766 1772 CONECT 1772 1771 1773 1775 CONECT 1773 1772 1774 1779 CONECT 1774 1773 CONECT 1775 1772 1776 CONECT 1776 1775 1777 CONECT 1777 1776 1778 CONECT 1778 1777 CONECT 1779 1773 CONECT 1932 1934 CONECT 1934 1932 1935 CONECT 1935 1934 1936 1938 CONECT 1936 1935 1937 1942 CONECT 1937 1936 CONECT 1938 1935 1939 CONECT 1939 1938 1940 CONECT 1940 1939 1941 CONECT 1941 1940 CONECT 1942 1936 CONECT 2097 2104 CONECT 2104 2097 2105 CONECT 2105 2104 2106 2108 CONECT 2106 2105 2107 2112 CONECT 2107 2106 CONECT 2108 2105 2109 CONECT 2109 2108 2110 CONECT 2110 2109 2111 CONECT 2111 2110 CONECT 2112 2106 CONECT 2183 2188 CONECT 2188 2183 2189 CONECT 2189 2188 2190 2192 CONECT 2190 2189 2191 2196 CONECT 2191 2190 CONECT 2192 2189 2193 CONECT 2193 2192 2194 CONECT 2194 2193 2195 CONECT 2195 2194 CONECT 2196 2190 CONECT 2349 2351 CONECT 2351 2349 2352 CONECT 2352 2351 2353 2355 CONECT 2353 2352 2354 2359 CONECT 2354 2353 CONECT 2355 2352 2356 CONECT 2356 2355 2357 CONECT 2357 2356 2358 CONECT 2358 2357 CONECT 2359 2353 CONECT 2514 2521 CONECT 2521 2514 2522 CONECT 2522 2521 2523 2525 CONECT 2523 2522 2524 2529 CONECT 2524 2523 CONECT 2525 2522 2526 CONECT 2526 2525 2527 CONECT 2527 2526 2528 CONECT 2528 2527 CONECT 2529 2523 END