USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 22-JUN-06 2HF1 TITLE CRYSTAL STRUCTURE OF THE PUTATIVE TETRAACYLDISACCHARIDE-1-P 4-KINASE TITLE 2 FROM CHROMOBACTERIUM VIOLACEUM. NESG TARGET CVR39. COMPND MOL_ID: 1; COMPND 2 MOLECULE: TETRAACYLDISACCHARIDE-1-P 4-KINASE; COMPND 3 CHAIN: A, B; COMPND 4 EC: 2.7.1.130; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; SOURCE 3 ORGANISM_TAXID: 243365; SOURCE 4 STRAIN: ATCC 12472; SOURCE 5 GENE: CV_3345; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS TETRAACYLDISACCHARIDE-1-P 4-KINASE, LPXK, LIPID A BIOSYNTHESIS, NESG, KEYWDS 2 STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE, NORTHEAST KEYWDS 3 STRUCTURAL GENOMICS CONSORTIUM, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,C.X.CHEN,M.JIANG,K.CUNNINGHAM, AUTHOR 2 L.C.MA,R.XIAO,T.ACTON,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST AUTHOR 3 STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 4 13-JUL-11 2HF1 1 VERSN REVDAT 3 24-FEB-09 2HF1 1 VERSN REVDAT 2 19-SEP-06 2HF1 1 AUTHOR REVDAT 1 22-AUG-06 2HF1 0 JRNL AUTH S.M.VOROBIEV,M ABASHIDZE,J.SEETHARAMAN,C.X.CHEN,M.JIANG, JRNL AUTH 2 K.CUNNINGHAM,L.C.MA,R.XIAO,T.ACTON,G.T.MONTELIONE,J.F.HUNT, JRNL AUTH 3 L.TONG JRNL TITL CRYSTAL STRUCTURE OF THE PUTATIVE TETRAACYLDISACCHARIDE-1-P JRNL TITL 2 4-KINASE FROM CHROMOBACTERIUM VIOLACEUM. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 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) : 26.41 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 163383.750 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.9 REMARK 3 NUMBER OF REFLECTIONS : 16173 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) : 0.233 REMARK 3 FREE R VALUE : 0.284 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.100 REMARK 3 FREE R VALUE TEST SET COUNT : 660 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.011 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) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 83.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2312 REMARK 3 BIN R VALUE (WORKING SET) : 0.2860 REMARK 3 BIN FREE R VALUE : 0.3480 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 3.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 87 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.037 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 925 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 52 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.70 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.93000 REMARK 3 B22 (A**2) : 0.64000 REMARK 3 B33 (A**2) : 2.29000 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) : 0.25 REMARK 3 ESD FROM SIGMAA (A) : 0.19 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) : 0.33 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.29 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.92 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 : 0.37 REMARK 3 BSOL : 48.27 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_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2HF1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUN-06. REMARK 100 THE RCSB ID CODE IS RCSB038273. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 08-JUN-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 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) : 0.97907, 0.97940, 0.96791 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17211 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 31.900 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 6.800 REMARK 200 R MERGE (I) : 0.04600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 1755.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.60 REMARK 200 R MERGE FOR SHELL (I) : 0.27400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 6.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: BNP, RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 30.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25-35% PEG 300, 0.1M SODIUM ACETATE, REMARK 280 5 MM ZNCL(2), PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 291K 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 43.60950 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 43.60950 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 13.75850 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 46.92700 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 13.75850 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 46.92700 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 43.60950 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 13.75850 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 46.92700 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 43.60950 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 13.75850 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 46.92700 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 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 1720 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6990 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 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 HIS A 63 REMARK 465 HIS A 64 REMARK 465 HIS A 65 REMARK 465 HIS A 66 REMARK 465 HIS A 67 REMARK 465 HIS A 68 REMARK 465 MSE B 1 REMARK 465 ASP B 2 REMARK 465 ALA B 3 REMARK 465 HIS B 63 REMARK 465 HIS B 64 REMARK 465 HIS B 65 REMARK 465 HIS B 66 REMARK 465 HIS B 67 REMARK 465 HIS B 68 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 2 CG OD1 OD2 REMARK 470 ARG A 33 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 40 CG OD1 OD2 REMARK 470 LYS B 4 CG CD CE NZ 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 LEU A 13 -68.20 -99.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 219 DISTANCE = 5.77 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 102 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 11 SG REMARK 620 2 ASP A 32 OD1 102.2 REMARK 620 3 CYS A 14 SG 116.8 105.0 REMARK 620 4 CYS A 29 SG 112.3 115.1 105.5 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN B 101 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 14 SG REMARK 620 2 CYS B 11 SG 112.0 REMARK 620 3 ASP B 32 OD2 114.6 94.9 REMARK 620 4 CYS B 29 SG 103.2 114.2 118.3 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 102 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: CVR39 RELATED DB: TARGETDB DBREF 2HF1 A 1 60 UNP Q7NSS5 Q7NSS5_CHRVO 1 60 DBREF 2HF1 B 1 60 UNP Q7NSS5 Q7NSS5_CHRVO 1 60 SEQADV 2HF1 MSE A 1 UNP Q7NSS5 MET 1 MODIFIED RESIDUE SEQADV 2HF1 MSE A 44 UNP Q7NSS5 MET 44 MODIFIED RESIDUE SEQADV 2HF1 MSE A 45 UNP Q7NSS5 MET 45 MODIFIED RESIDUE SEQADV 2HF1 LEU A 61 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 GLU A 62 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 63 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 64 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 65 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 66 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 67 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS A 68 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 MSE B 1 UNP Q7NSS5 MET 1 MODIFIED RESIDUE SEQADV 2HF1 MSE B 44 UNP Q7NSS5 MET 44 MODIFIED RESIDUE SEQADV 2HF1 MSE B 45 UNP Q7NSS5 MET 45 MODIFIED RESIDUE SEQADV 2HF1 LEU B 61 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 GLU B 62 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 63 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 64 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 65 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 66 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 67 UNP Q7NSS5 EXPRESSION TAG SEQADV 2HF1 HIS B 68 UNP Q7NSS5 EXPRESSION TAG SEQRES 1 A 68 MSE ASP ALA LYS PHE LEU GLU ILE LEU VAL CYS PRO LEU SEQRES 2 A 68 CYS LYS GLY PRO LEU VAL PHE ASP LYS SER LYS ASP GLU SEQRES 3 A 68 LEU ILE CYS LYS GLY ASP ARG LEU ALA PHE PRO ILE LYS SEQRES 4 A 68 ASP GLY ILE PRO MSE MSE LEU GLU SER GLU ALA ARG GLU SEQRES 5 A 68 LEU ALA PRO GLU GLU GLU VAL LYS LEU GLU HIS HIS HIS SEQRES 6 A 68 HIS HIS HIS SEQRES 1 B 68 MSE ASP ALA LYS PHE LEU GLU ILE LEU VAL CYS PRO LEU SEQRES 2 B 68 CYS LYS GLY PRO LEU VAL PHE ASP LYS SER LYS ASP GLU SEQRES 3 B 68 LEU ILE CYS LYS GLY ASP ARG LEU ALA PHE PRO ILE LYS SEQRES 4 B 68 ASP GLY ILE PRO MSE MSE LEU GLU SER GLU ALA ARG GLU SEQRES 5 B 68 LEU ALA PRO GLU GLU GLU VAL LYS LEU GLU HIS HIS HIS SEQRES 6 B 68 HIS HIS HIS MODRES 2HF1 MSE A 44 MET SELENOMETHIONINE MODRES 2HF1 MSE A 45 MET SELENOMETHIONINE MODRES 2HF1 MSE B 44 MET SELENOMETHIONINE MODRES 2HF1 MSE B 45 MET SELENOMETHIONINE HET MSE A 44 8 HET MSE A 45 8 HET MSE B 44 8 HET MSE B 45 8 HET ZN B 101 1 HET ZN A 102 1 HETNAM MSE SELENOMETHIONINE HETNAM ZN ZINC ION FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 3 ZN 2(ZN 2+) FORMUL 5 HOH *52(H2 O) HELIX 1 1 LEU A 46 ALA A 50 5 5 HELIX 2 2 ALA A 54 VAL A 59 1 6 HELIX 3 3 LYS A 60 GLU A 62 5 3 HELIX 4 4 LEU B 46 ALA B 50 5 5 HELIX 5 5 ALA B 54 VAL B 59 1 6 HELIX 6 6 LYS B 60 GLU B 62 5 3 SHEET 1 A 5 LEU A 6 ILE A 8 0 SHEET 2 A 5 VAL B 19 ASP B 21 -1 O PHE B 20 N GLU A 7 SHEET 3 A 5 GLU B 26 CYS B 29 -1 O GLU B 26 N ASP B 21 SHEET 4 A 5 LEU B 34 LYS B 39 -1 O PHE B 36 N LEU B 27 SHEET 5 A 5 ILE B 42 PRO B 43 -1 O ILE B 42 N LYS B 39 SHEET 1 B 5 LEU A 6 ILE A 8 0 SHEET 2 B 5 VAL B 19 ASP B 21 -1 O PHE B 20 N GLU A 7 SHEET 3 B 5 GLU B 26 CYS B 29 -1 O GLU B 26 N ASP B 21 SHEET 4 B 5 LEU B 34 LYS B 39 -1 O PHE B 36 N LEU B 27 SHEET 5 B 5 ARG B 51 GLU B 52 -1 O ARG B 51 N ALA B 35 SHEET 1 C 3 ILE A 42 PRO A 43 0 SHEET 2 C 3 LEU A 34 LYS A 39 -1 N LYS A 39 O ILE A 42 SHEET 3 C 3 ARG A 51 GLU A 52 -1 O ARG A 51 N ALA A 35 SHEET 1 D 5 ILE A 42 PRO A 43 0 SHEET 2 D 5 LEU A 34 LYS A 39 -1 N LYS A 39 O ILE A 42 SHEET 3 D 5 GLU A 26 CYS A 29 -1 N LEU A 27 O PHE A 36 SHEET 4 D 5 VAL A 19 ASP A 21 -1 N VAL A 19 O ILE A 28 SHEET 5 D 5 LEU B 6 ILE B 8 -1 O GLU B 7 N PHE A 20 LINK C PRO A 43 N MSE A 44 1555 1555 1.33 LINK C MSE A 44 N MSE A 45 1555 1555 1.33 LINK C MSE A 45 N LEU A 46 1555 1555 1.33 LINK ZN ZN A 102 SG CYS A 11 1555 1555 2.40 LINK ZN ZN A 102 OD1 ASP A 32 1555 1555 2.33 LINK ZN ZN A 102 SG CYS A 14 1555 1555 2.39 LINK ZN ZN A 102 SG CYS A 29 1555 1555 2.25 LINK C PRO B 43 N MSE B 44 1555 1555 1.33 LINK C MSE B 44 N MSE B 45 1555 1555 1.33 LINK C MSE B 45 N LEU B 46 1555 1555 1.32 LINK ZN ZN B 101 SG CYS B 14 1555 1555 2.30 LINK ZN ZN B 101 SG CYS B 11 1555 1555 2.33 LINK ZN ZN B 101 OD2 ASP B 32 1555 1555 2.11 LINK ZN ZN B 101 SG CYS B 29 1555 1555 2.34 SITE *** AC1 4 CYS B 11 CYS B 14 CYS B 29 ASP B 32 SITE *** AC2 4 CYS A 11 CYS A 14 CYS A 29 ASP A 32 CRYST1 27.517 93.854 87.219 90.00 90.00 90.00 C 2 2 21 16 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 0.036341 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010655 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011465 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: A 4 LYS NZ :NH3+ 154:sc= -4.3! (180deg=0) USER MOD Set 1.2: B 60 LYS NZ :NH3+ 148:sc= -4.84! (180deg=-0.193) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0274) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.739 (180deg=-1.07) USER MOD Single : A 23 SER OG : rot -22:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0705 (180deg=-0.394) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -0.023 (180deg=-0.285) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.00454 (180deg=0) USER MOD Single : A 48 SER OG : rot -95:sc= 0.332 USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 1.11 (180deg=0.0429) USER MOD Single : B 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0651) USER MOD Single : B 22 LYS NZ :NH3+ -160:sc= -0.0512 (180deg=-0.221) USER MOD Single : B 23 SER OG : rot -21:sc= 1.01 USER MOD Single : B 24 LYS NZ :NH3+ 166:sc= 0.0954 (180deg=0.0654) USER MOD Single : B 30 LYS NZ :NH3+ -158:sc= 0.144 (180deg=0.046) USER MOD Single : B 39 LYS NZ :NH3+ 160:sc= -0.0938 (180deg=-0.576) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -0.180 52.346 48.091 1.00 42.04 N ATOM 2 CA ASP A 2 -0.766 51.284 47.223 1.00 41.31 C ATOM 3 C ASP A 2 -0.720 49.927 47.924 1.00 41.55 C ATOM 4 O ASP A 2 0.107 49.703 48.810 1.00 41.92 O ATOM 5 CB ASP A 2 -0.006 51.214 45.903 1.00 42.07 C ATOM 0 HA ASP A 2 -1.693 51.507 47.047 1.00 41.31 H new ATOM 6 N ALA A 3 -1.614 49.028 47.524 1.00 40.63 N ATOM 7 CA ALA A 3 -1.672 47.698 48.109 1.00 38.12 C ATOM 8 C ALA A 3 -0.499 46.885 47.593 1.00 37.66 C ATOM 9 O ALA A 3 -0.280 46.796 46.385 1.00 37.28 O ATOM 10 CB ALA A 3 -2.979 47.017 47.737 1.00 40.51 C ATOM 0 H ALA A 3 -2.199 49.172 46.910 1.00 40.63 H new ATOM 0 HA ALA A 3 -1.626 47.766 49.076 1.00 38.12 H new ATOM 0 HB1 ALA A 3 -3.007 46.132 48.132 1.00 40.51 H new ATOM 0 HB2 ALA A 3 -3.724 47.542 48.069 1.00 40.51 H new ATOM 0 HB3 ALA A 3 -3.042 46.942 46.772 1.00 40.51 H new ATOM 11 N LYS A 4 0.259 46.297 48.508 1.00 35.75 N ATOM 12 CA LYS A 4 1.403 45.490 48.117 1.00 33.27 C ATOM 13 C LYS A 4 1.524 44.237 48.967 1.00 29.77 C ATOM 14 O LYS A 4 0.861 44.102 49.998 1.00 25.52 O ATOM 15 CB LYS A 4 2.686 46.318 48.194 1.00 36.04 C ATOM 16 CG LYS A 4 2.916 47.013 49.521 1.00 39.08 C ATOM 17 CD LYS A 4 3.884 48.168 49.337 1.00 42.69 C ATOM 18 CE LYS A 4 3.315 49.198 48.359 1.00 44.93 C ATOM 19 NZ LYS A 4 4.295 50.261 47.991 1.00 46.11 N ATOM 0 H LYS A 4 0.129 46.352 49.356 1.00 35.75 H new ATOM 0 HA LYS A 4 1.265 45.206 47.200 1.00 33.27 H new ATOM 0 HB2 LYS A 4 3.442 45.738 48.012 1.00 36.04 H new ATOM 0 HB3 LYS A 4 2.667 46.987 47.492 1.00 36.04 H new ATOM 0 HG2 LYS A 4 2.074 47.339 49.875 1.00 39.08 H new ATOM 0 HG3 LYS A 4 3.270 46.383 50.168 1.00 39.08 H new ATOM 0 HD2 LYS A 4 4.059 48.590 50.193 1.00 42.69 H new ATOM 0 HD3 LYS A 4 4.733 47.835 49.006 1.00 42.69 H new ATOM 0 HE2 LYS A 4 3.022 48.744 47.554 1.00 44.93 H new ATOM 0 HE3 LYS A 4 2.531 49.611 48.753 1.00 44.93 H new ATOM 0 HZ1 LYS A 4 4.089 50.590 47.190 1.00 46.11 H new ATOM 0 HZ2 LYS A 4 4.267 50.913 48.596 1.00 46.11 H new ATOM 0 HZ3 LYS A 4 5.114 49.914 47.967 1.00 46.11 H new ATOM 20 N PHE A 5 2.374 43.323 48.516 1.00 26.22 N ATOM 21 CA PHE A 5 2.583 42.062 49.206 1.00 25.15 C ATOM 22 C PHE A 5 3.808 42.075 50.119 1.00 23.05 C ATOM 23 O PHE A 5 4.950 42.069 49.658 1.00 21.96 O ATOM 24 CB PHE A 5 2.696 40.933 48.179 1.00 24.26 C ATOM 25 CG PHE A 5 2.637 39.557 48.777 1.00 26.55 C ATOM 26 CD1 PHE A 5 3.746 39.005 49.406 1.00 26.92 C ATOM 27 CD2 PHE A 5 1.460 38.817 48.721 1.00 27.14 C ATOM 28 CE1 PHE A 5 3.686 37.733 49.971 1.00 29.71 C ATOM 29 CE2 PHE A 5 1.385 37.544 49.281 1.00 29.80 C ATOM 30 CZ PHE A 5 2.501 36.999 49.909 1.00 27.56 C ATOM 0 H PHE A 5 2.844 43.418 47.802 1.00 26.22 H new ATOM 0 HA PHE A 5 1.816 41.916 49.781 1.00 25.15 H new ATOM 0 HB2 PHE A 5 1.980 41.025 47.531 1.00 24.26 H new ATOM 0 HB3 PHE A 5 3.531 41.030 47.695 1.00 24.26 H new ATOM 0 HD1 PHE A 5 4.538 39.490 49.450 1.00 26.92 H new ATOM 0 HD2 PHE A 5 0.712 39.178 48.303 1.00 27.14 H new ATOM 0 HE1 PHE A 5 4.435 37.373 50.389 1.00 29.71 H new ATOM 0 HE2 PHE A 5 0.592 37.060 49.235 1.00 29.80 H new ATOM 0 HZ PHE A 5 2.457 36.150 50.285 1.00 27.56 H new ATOM 31 N LEU A 6 3.546 42.102 51.422 1.00 22.04 N ATOM 32 CA LEU A 6 4.589 42.088 52.438 1.00 21.30 C ATOM 33 C LEU A 6 4.227 41.016 53.468 1.00 22.10 C ATOM 34 O LEU A 6 3.144 41.053 54.060 1.00 18.79 O ATOM 35 CB LEU A 6 4.689 43.444 53.147 1.00 21.21 C ATOM 36 CG LEU A 6 5.171 44.701 52.403 1.00 23.66 C ATOM 37 CD1 LEU A 6 4.976 45.913 53.313 1.00 23.80 C ATOM 38 CD2 LEU A 6 6.637 44.561 52.002 1.00 21.45 C ATOM 0 H LEU A 6 2.749 42.129 51.743 1.00 22.04 H new ATOM 0 HA LEU A 6 5.443 41.902 52.017 1.00 21.30 H new ATOM 0 HB2 LEU A 6 3.808 43.644 53.500 1.00 21.21 H new ATOM 0 HB3 LEU A 6 5.278 43.322 53.908 1.00 21.21 H new ATOM 0 HG LEU A 6 4.654 44.816 51.590 1.00 23.66 H new ATOM 0 HD11 LEU A 6 5.277 46.713 52.855 1.00 23.80 H new ATOM 0 HD12 LEU A 6 4.036 46.002 53.536 1.00 23.80 H new ATOM 0 HD13 LEU A 6 5.491 45.794 54.126 1.00 23.80 H new ATOM 0 HD21 LEU A 6 6.923 45.362 51.535 1.00 21.45 H new ATOM 0 HD22 LEU A 6 7.180 44.440 52.797 1.00 21.45 H new ATOM 0 HD23 LEU A 6 6.741 43.793 51.419 1.00 21.45 H new ATOM 39 N GLU A 7 5.118 40.050 53.670 1.00 21.68 N ATOM 40 CA GLU A 7 4.858 39.005 54.657 1.00 21.81 C ATOM 41 C GLU A 7 6.109 38.647 55.450 1.00 20.58 C ATOM 42 O GLU A 7 7.186 38.470 54.885 1.00 20.10 O ATOM 43 CB GLU A 7 4.279 37.749 53.994 1.00 23.35 C ATOM 44 CG GLU A 7 5.103 37.183 52.863 1.00 26.30 C ATOM 45 CD GLU A 7 4.662 35.780 52.467 1.00 28.30 C ATOM 46 OE1 GLU A 7 3.504 35.404 52.756 1.00 31.11 O ATOM 47 OE2 GLU A 7 5.472 35.057 51.854 1.00 25.46 O ATOM 0 H GLU A 7 5.868 39.981 53.254 1.00 21.68 H new ATOM 0 HA GLU A 7 4.203 39.362 55.277 1.00 21.81 H new ATOM 0 HB2 GLU A 7 4.171 37.063 54.672 1.00 23.35 H new ATOM 0 HB3 GLU A 7 3.393 37.957 53.658 1.00 23.35 H new ATOM 0 HG2 GLU A 7 5.036 37.769 52.093 1.00 26.30 H new ATOM 0 HG3 GLU A 7 6.037 37.164 53.125 1.00 26.30 H new ATOM 48 N ILE A 8 5.965 38.564 56.770 1.00 19.99 N ATOM 49 CA ILE A 8 7.091 38.213 57.628 1.00 18.14 C ATOM 50 C ILE A 8 7.449 36.748 57.367 1.00 15.73 C ATOM 51 O ILE A 8 6.574 35.903 57.222 1.00 15.26 O ATOM 52 CB ILE A 8 6.746 38.424 59.117 1.00 19.88 C ATOM 53 CG1 ILE A 8 7.968 38.116 59.983 1.00 22.86 C ATOM 54 CG2 ILE A 8 5.564 37.553 59.512 1.00 23.49 C ATOM 55 CD1 ILE A 8 7.790 38.487 61.441 1.00 26.66 C ATOM 0 H ILE A 8 5.226 38.707 57.187 1.00 19.99 H new ATOM 0 HA ILE A 8 7.846 38.787 57.424 1.00 18.14 H new ATOM 0 HB ILE A 8 6.496 39.351 59.258 1.00 19.88 H new ATOM 0 HG12 ILE A 8 8.168 37.169 59.921 1.00 22.86 H new ATOM 0 HG13 ILE A 8 8.735 38.592 59.628 1.00 22.86 H new ATOM 0 HG21 ILE A 8 5.357 37.694 60.449 1.00 23.49 H new ATOM 0 HG22 ILE A 8 4.794 37.788 58.972 1.00 23.49 H new ATOM 0 HG23 ILE A 8 5.787 36.620 59.368 1.00 23.49 H new ATOM 0 HD11 ILE A 8 8.597 38.267 61.932 1.00 26.66 H new ATOM 0 HD12 ILE A 8 7.617 39.439 61.514 1.00 26.66 H new ATOM 0 HD13 ILE A 8 7.042 37.993 61.812 1.00 26.66 H new ATOM 56 N LEU A 9 8.740 36.451 57.292 1.00 15.80 N ATOM 57 CA LEU A 9 9.174 35.092 57.011 1.00 15.97 C ATOM 58 C LEU A 9 9.517 34.289 58.249 1.00 15.80 C ATOM 59 O LEU A 9 10.685 34.135 58.580 1.00 15.97 O ATOM 60 CB LEU A 9 10.376 35.102 56.061 1.00 16.62 C ATOM 61 CG LEU A 9 10.136 35.740 54.690 1.00 18.85 C ATOM 62 CD1 LEU A 9 11.346 35.507 53.790 1.00 19.11 C ATOM 63 CD2 LEU A 9 8.889 35.138 54.064 1.00 16.00 C ATOM 0 H LEU A 9 9.377 37.019 57.400 1.00 15.80 H new ATOM 0 HA LEU A 9 8.415 34.654 56.595 1.00 15.97 H new ATOM 0 HB2 LEU A 9 11.106 35.572 56.494 1.00 16.62 H new ATOM 0 HB3 LEU A 9 10.668 34.187 55.926 1.00 16.62 H new ATOM 0 HG LEU A 9 10.008 36.696 54.795 1.00 18.85 H new ATOM 0 HD11 LEU A 9 11.188 35.913 52.923 1.00 19.11 H new ATOM 0 HD12 LEU A 9 12.132 35.905 54.195 1.00 19.11 H new ATOM 0 HD13 LEU A 9 11.488 34.554 53.679 1.00 19.11 H new ATOM 0 HD21 LEU A 9 8.736 35.541 53.195 1.00 16.00 H new ATOM 0 HD22 LEU A 9 9.009 34.181 53.959 1.00 16.00 H new ATOM 0 HD23 LEU A 9 8.125 35.307 54.638 1.00 16.00 H new ATOM 64 N VAL A 10 8.481 33.812 58.936 1.00 16.31 N ATOM 65 CA VAL A 10 8.636 32.976 60.113 1.00 18.81 C ATOM 66 C VAL A 10 7.695 31.798 59.914 1.00 18.90 C ATOM 67 O VAL A 10 6.725 31.890 59.154 1.00 19.96 O ATOM 68 CB VAL A 10 8.272 33.709 61.437 1.00 18.44 C ATOM 69 CG1 VAL A 10 9.349 34.715 61.782 1.00 20.57 C ATOM 70 CG2 VAL A 10 6.925 34.392 61.317 1.00 20.11 C ATOM 0 H VAL A 10 7.662 33.969 58.726 1.00 16.31 H new ATOM 0 HA VAL A 10 9.565 32.712 60.201 1.00 18.81 H new ATOM 0 HB VAL A 10 8.215 33.054 62.150 1.00 18.44 H new ATOM 0 HG11 VAL A 10 9.116 35.168 62.608 1.00 20.57 H new ATOM 0 HG12 VAL A 10 10.197 34.257 61.893 1.00 20.57 H new ATOM 0 HG13 VAL A 10 9.425 35.366 61.067 1.00 20.57 H new ATOM 0 HG21 VAL A 10 6.715 34.843 62.150 1.00 20.11 H new ATOM 0 HG22 VAL A 10 6.954 35.041 60.597 1.00 20.11 H new ATOM 0 HG23 VAL A 10 6.242 33.730 61.127 1.00 20.11 H new ATOM 71 N CYS A 11 7.990 30.687 60.573 1.00 19.67 N ATOM 72 CA CYS A 11 7.153 29.508 60.446 1.00 20.99 C ATOM 73 C CYS A 11 5.746 29.836 60.930 1.00 23.23 C ATOM 74 O CYS A 11 5.573 30.377 62.016 1.00 24.70 O ATOM 75 CB CYS A 11 7.723 28.359 61.275 1.00 21.30 C ATOM 76 SG CYS A 11 6.616 26.950 61.291 1.00 22.57 S ATOM 0 H CYS A 11 8.667 30.596 61.096 1.00 19.67 H new ATOM 0 HA CYS A 11 7.127 29.238 59.515 1.00 20.99 H new ATOM 0 HB2 CYS A 11 8.583 28.093 60.913 1.00 21.30 H new ATOM 0 HB3 CYS A 11 7.879 28.660 62.184 1.00 21.30 H new ATOM 77 N PRO A 12 4.721 29.510 60.131 1.00 26.07 N ATOM 78 CA PRO A 12 3.340 29.797 60.528 1.00 29.51 C ATOM 79 C PRO A 12 2.905 29.106 61.824 1.00 33.24 C ATOM 80 O PRO A 12 1.859 29.433 62.382 1.00 35.73 O ATOM 81 CB PRO A 12 2.533 29.332 59.318 1.00 28.34 C ATOM 82 CG PRO A 12 3.345 28.219 58.787 1.00 29.83 C ATOM 83 CD PRO A 12 4.753 28.773 58.859 1.00 27.70 C ATOM 0 HA PRO A 12 3.212 30.734 60.742 1.00 29.51 H new ATOM 0 HB2 PRO A 12 1.643 29.039 59.570 1.00 28.34 H new ATOM 0 HB3 PRO A 12 2.424 30.041 58.665 1.00 28.34 H new ATOM 0 HG2 PRO A 12 3.246 27.414 59.320 1.00 29.83 H new ATOM 0 HG3 PRO A 12 3.093 27.990 57.879 1.00 29.83 H new ATOM 0 HD2 PRO A 12 5.421 28.070 58.863 1.00 27.70 H new ATOM 0 HD3 PRO A 12 4.955 29.352 58.108 1.00 27.70 H new ATOM 84 N LEU A 13 3.710 28.162 62.305 1.00 34.71 N ATOM 85 CA LEU A 13 3.387 27.443 63.533 1.00 35.34 C ATOM 86 C LEU A 13 4.110 27.941 64.783 1.00 35.37 C ATOM 87 O LEU A 13 3.486 28.494 65.690 1.00 35.34 O ATOM 88 CB LEU A 13 3.667 25.947 63.361 1.00 36.88 C ATOM 89 CG LEU A 13 2.658 25.144 62.538 1.00 38.03 C ATOM 90 CD1 LEU A 13 3.116 23.696 62.425 1.00 38.65 C ATOM 91 CD2 LEU A 13 1.297 25.212 63.206 1.00 39.49 C ATOM 0 H LEU A 13 4.448 27.923 61.935 1.00 34.71 H new ATOM 0 HA LEU A 13 2.443 27.613 63.679 1.00 35.34 H new ATOM 0 HB2 LEU A 13 4.539 25.849 62.948 1.00 36.88 H new ATOM 0 HB3 LEU A 13 3.724 25.547 64.243 1.00 36.88 H new ATOM 0 HG LEU A 13 2.595 25.520 61.646 1.00 38.03 H new ATOM 0 HD11 LEU A 13 2.472 23.193 61.902 1.00 38.65 H new ATOM 0 HD12 LEU A 13 3.982 23.663 61.989 1.00 38.65 H new ATOM 0 HD13 LEU A 13 3.186 23.308 63.311 1.00 38.65 H new ATOM 0 HD21 LEU A 13 0.655 24.703 62.686 1.00 39.49 H new ATOM 0 HD22 LEU A 13 1.356 24.840 64.100 1.00 39.49 H new ATOM 0 HD23 LEU A 13 1.009 26.137 63.260 1.00 39.49 H new ATOM 92 N CYS A 14 5.423 27.736 64.832 1.00 33.37 N ATOM 93 CA CYS A 14 6.227 28.133 65.984 1.00 31.28 C ATOM 94 C CYS A 14 6.726 29.573 65.930 1.00 32.87 C ATOM 95 O CYS A 14 7.301 30.067 66.901 1.00 32.79 O ATOM 96 CB CYS A 14 7.433 27.201 66.115 1.00 29.68 C ATOM 97 SG CYS A 14 8.664 27.399 64.788 1.00 26.96 S ATOM 0 H CYS A 14 5.872 27.364 64.200 1.00 33.37 H new ATOM 0 HA CYS A 14 5.639 28.067 66.753 1.00 31.28 H new ATOM 0 HB2 CYS A 14 7.863 27.361 66.970 1.00 29.68 H new ATOM 0 HB3 CYS A 14 7.122 26.282 66.121 1.00 29.68 H new ATOM 98 N LYS A 15 6.513 30.239 64.799 1.00 33.87 N ATOM 99 CA LYS A 15 6.968 31.616 64.611 1.00 32.86 C ATOM 100 C LYS A 15 8.490 31.739 64.623 1.00 30.61 C ATOM 101 O LYS A 15 9.031 32.820 64.859 1.00 30.30 O ATOM 102 CB LYS A 15 6.371 32.536 65.682 1.00 37.55 C ATOM 103 CG LYS A 15 4.981 33.036 65.349 1.00 39.27 C ATOM 104 CD LYS A 15 4.007 31.885 65.194 1.00 43.37 C ATOM 105 CE LYS A 15 2.673 32.360 64.641 1.00 44.44 C ATOM 106 NZ LYS A 15 2.012 33.396 65.488 1.00 47.15 N ATOM 0 H LYS A 15 6.102 29.908 64.120 1.00 33.87 H new ATOM 0 HA LYS A 15 6.657 31.890 63.734 1.00 32.86 H new ATOM 0 HB2 LYS A 15 6.341 32.059 66.526 1.00 37.55 H new ATOM 0 HB3 LYS A 15 6.959 33.298 65.807 1.00 37.55 H new ATOM 0 HG2 LYS A 15 4.673 33.632 66.049 1.00 39.27 H new ATOM 0 HG3 LYS A 15 5.008 33.553 64.529 1.00 39.27 H new ATOM 0 HD2 LYS A 15 4.385 31.216 64.602 1.00 43.37 H new ATOM 0 HD3 LYS A 15 3.869 31.457 66.054 1.00 43.37 H new ATOM 0 HE2 LYS A 15 2.810 32.720 63.751 1.00 44.44 H new ATOM 0 HE3 LYS A 15 2.079 31.599 64.551 1.00 44.44 H new ATOM 0 HZ1 LYS A 15 1.196 33.561 65.173 1.00 47.15 H new ATOM 0 HZ2 LYS A 15 1.952 33.101 66.326 1.00 47.15 H new ATOM 0 HZ3 LYS A 15 2.493 34.145 65.471 1.00 47.15 H new ATOM 107 N GLY A 16 9.178 30.632 64.360 1.00 27.88 N ATOM 108 CA GLY A 16 10.632 30.656 64.332 1.00 27.20 C ATOM 109 C GLY A 16 11.157 30.980 62.944 1.00 25.72 C ATOM 110 O GLY A 16 10.388 30.979 61.981 1.00 24.29 O ATOM 0 H GLY A 16 8.824 29.865 64.197 1.00 27.88 H new ATOM 0 HA2 GLY A 16 10.958 31.315 64.964 1.00 27.20 H new ATOM 0 HA3 GLY A 16 10.976 29.795 64.617 1.00 27.20 H new ATOM 111 N PRO A 17 12.463 31.262 62.803 1.00 26.42 N ATOM 112 CA PRO A 17 13.064 31.585 61.504 1.00 24.70 C ATOM 113 C PRO A 17 13.086 30.388 60.554 1.00 22.86 C ATOM 114 O PRO A 17 13.028 29.238 60.983 1.00 20.63 O ATOM 115 CB PRO A 17 14.467 32.050 61.884 1.00 23.77 C ATOM 116 CG PRO A 17 14.766 31.216 63.094 1.00 26.18 C ATOM 117 CD PRO A 17 13.479 31.299 63.871 1.00 25.93 C ATOM 0 HA PRO A 17 12.562 32.254 61.013 1.00 24.70 H new ATOM 0 HB2 PRO A 17 15.105 31.894 61.171 1.00 23.77 H new ATOM 0 HB3 PRO A 17 14.492 32.999 62.084 1.00 23.77 H new ATOM 0 HG2 PRO A 17 14.987 30.302 62.857 1.00 26.18 H new ATOM 0 HG3 PRO A 17 15.516 31.567 63.599 1.00 26.18 H new ATOM 0 HD2 PRO A 17 13.381 30.558 64.489 1.00 25.93 H new ATOM 0 HD3 PRO A 17 13.424 32.114 64.394 1.00 25.93 H new ATOM 118 N LEU A 18 13.173 30.673 59.261 1.00 19.06 N ATOM 119 CA LEU A 18 13.193 29.631 58.243 1.00 19.65 C ATOM 120 C LEU A 18 14.532 29.578 57.530 1.00 17.88 C ATOM 121 O LEU A 18 15.219 30.595 57.390 1.00 18.24 O ATOM 122 CB LEU A 18 12.080 29.888 57.228 1.00 17.30 C ATOM 123 CG LEU A 18 10.695 29.936 57.866 1.00 19.56 C ATOM 124 CD1 LEU A 18 9.687 30.560 56.929 1.00 22.76 C ATOM 125 CD2 LEU A 18 10.295 28.521 58.256 1.00 19.72 C ATOM 0 H LEU A 18 13.222 31.473 58.949 1.00 19.06 H new ATOM 0 HA LEU A 18 13.052 28.777 58.681 1.00 19.65 H new ATOM 0 HB2 LEU A 18 12.251 30.727 56.773 1.00 17.30 H new ATOM 0 HB3 LEU A 18 12.096 29.191 56.553 1.00 17.30 H new ATOM 0 HG LEU A 18 10.718 30.493 58.660 1.00 19.56 H new ATOM 0 HD11 LEU A 18 8.816 30.579 57.356 1.00 22.76 H new ATOM 0 HD12 LEU A 18 9.961 31.465 56.714 1.00 22.76 H new ATOM 0 HD13 LEU A 18 9.635 30.037 56.114 1.00 22.76 H new ATOM 0 HD21 LEU A 18 9.415 28.534 58.664 1.00 19.72 H new ATOM 0 HD22 LEU A 18 10.276 27.960 57.465 1.00 19.72 H new ATOM 0 HD23 LEU A 18 10.939 28.165 58.888 1.00 19.72 H new ATOM 126 N VAL A 19 14.904 28.383 57.084 1.00 19.20 N ATOM 127 CA VAL A 19 16.158 28.195 56.363 1.00 20.52 C ATOM 128 C VAL A 19 15.843 28.095 54.872 1.00 19.38 C ATOM 129 O VAL A 19 15.015 27.280 54.462 1.00 19.45 O ATOM 130 CB VAL A 19 16.877 26.907 56.814 1.00 20.51 C ATOM 131 CG1 VAL A 19 18.174 26.735 56.036 1.00 22.61 C ATOM 132 CG2 VAL A 19 17.162 26.971 58.300 1.00 23.21 C ATOM 0 H VAL A 19 14.442 27.665 57.189 1.00 19.20 H new ATOM 0 HA VAL A 19 16.742 28.947 56.548 1.00 20.52 H new ATOM 0 HB VAL A 19 16.304 26.145 56.637 1.00 20.51 H new ATOM 0 HG11 VAL A 19 18.620 25.924 56.325 1.00 22.61 H new ATOM 0 HG12 VAL A 19 17.977 26.675 55.088 1.00 22.61 H new ATOM 0 HG13 VAL A 19 18.752 27.497 56.198 1.00 22.61 H new ATOM 0 HG21 VAL A 19 17.614 26.159 58.578 1.00 23.21 H new ATOM 0 HG22 VAL A 19 17.728 27.736 58.489 1.00 23.21 H new ATOM 0 HG23 VAL A 19 16.327 27.059 58.786 1.00 23.21 H new ATOM 133 N PHE A 20 16.497 28.925 54.066 1.00 17.72 N ATOM 134 CA PHE A 20 16.248 28.919 52.632 1.00 19.15 C ATOM 135 C PHE A 20 17.029 27.811 51.955 1.00 19.31 C ATOM 136 O PHE A 20 18.245 27.720 52.105 1.00 18.92 O ATOM 137 CB PHE A 20 16.621 30.276 52.016 1.00 17.05 C ATOM 138 CG PHE A 20 16.533 30.315 50.513 1.00 19.61 C ATOM 139 CD1 PHE A 20 17.675 30.524 49.743 1.00 21.46 C ATOM 140 CD2 PHE A 20 15.313 30.134 49.864 1.00 19.80 C ATOM 141 CE1 PHE A 20 17.605 30.563 48.343 1.00 22.62 C ATOM 142 CE2 PHE A 20 15.230 30.171 48.463 1.00 24.12 C ATOM 143 CZ PHE A 20 16.383 30.382 47.706 1.00 23.92 C ATOM 0 H PHE A 20 17.085 29.495 54.328 1.00 17.72 H new ATOM 0 HA PHE A 20 15.301 28.760 52.492 1.00 19.15 H new ATOM 0 HB2 PHE A 20 16.036 30.958 52.382 1.00 17.05 H new ATOM 0 HB3 PHE A 20 17.525 30.504 52.283 1.00 17.05 H new ATOM 0 HD1 PHE A 20 18.496 30.639 50.164 1.00 21.46 H new ATOM 0 HD2 PHE A 20 14.544 29.987 50.366 1.00 19.80 H new ATOM 0 HE1 PHE A 20 18.375 30.710 47.842 1.00 22.62 H new ATOM 0 HE2 PHE A 20 14.409 30.055 48.041 1.00 24.12 H new ATOM 0 HZ PHE A 20 16.334 30.401 46.777 1.00 23.92 H new ATOM 144 N ASP A 21 16.310 26.960 51.230 1.00 21.05 N ATOM 145 CA ASP A 21 16.923 25.861 50.491 1.00 22.88 C ATOM 146 C ASP A 21 16.881 26.240 49.017 1.00 23.99 C ATOM 147 O ASP A 21 15.827 26.195 48.385 1.00 24.23 O ATOM 148 CB ASP A 21 16.152 24.557 50.705 1.00 25.30 C ATOM 149 CG ASP A 21 16.861 23.354 50.090 1.00 26.33 C ATOM 150 OD1 ASP A 21 17.509 23.519 49.037 1.00 26.35 O ATOM 151 OD2 ASP A 21 16.762 22.246 50.652 1.00 27.96 O ATOM 0 H ASP A 21 15.455 27.003 51.153 1.00 21.05 H new ATOM 0 HA ASP A 21 17.832 25.718 50.798 1.00 22.88 H new ATOM 0 HB2 ASP A 21 16.032 24.407 51.656 1.00 25.30 H new ATOM 0 HB3 ASP A 21 15.267 24.640 50.317 1.00 25.30 H new ATOM 152 N LYS A 22 18.033 26.619 48.479 1.00 27.95 N ATOM 153 CA LYS A 22 18.146 27.029 47.083 1.00 32.08 C ATOM 154 C LYS A 22 17.767 25.930 46.086 1.00 33.76 C ATOM 155 O LYS A 22 17.048 26.184 45.116 1.00 33.33 O ATOM 156 CB LYS A 22 19.578 27.502 46.817 1.00 34.92 C ATOM 157 CG LYS A 22 19.873 27.970 45.395 1.00 39.19 C ATOM 158 CD LYS A 22 21.366 28.276 45.262 1.00 43.44 C ATOM 159 CE LYS A 22 21.738 28.841 43.896 1.00 45.31 C ATOM 160 NZ LYS A 22 23.191 29.186 43.839 1.00 44.90 N ATOM 0 H LYS A 22 18.775 26.646 48.914 1.00 27.95 H new ATOM 0 HA LYS A 22 17.510 27.748 46.945 1.00 32.08 H new ATOM 0 HB2 LYS A 22 19.778 28.230 47.426 1.00 34.92 H new ATOM 0 HB3 LYS A 22 20.185 26.777 47.033 1.00 34.92 H new ATOM 0 HG2 LYS A 22 19.615 27.286 44.758 1.00 39.19 H new ATOM 0 HG3 LYS A 22 19.351 28.761 45.189 1.00 39.19 H new ATOM 0 HD2 LYS A 22 21.624 28.910 45.950 1.00 43.44 H new ATOM 0 HD3 LYS A 22 21.873 27.464 45.420 1.00 43.44 H new ATOM 0 HE2 LYS A 22 21.528 28.193 43.206 1.00 45.31 H new ATOM 0 HE3 LYS A 22 21.207 29.632 43.713 1.00 45.31 H new ATOM 0 HZ1 LYS A 22 23.334 29.763 43.176 1.00 44.90 H new ATOM 0 HZ2 LYS A 22 23.440 29.554 44.610 1.00 44.90 H new ATOM 0 HZ3 LYS A 22 23.666 28.447 43.696 1.00 44.90 H new ATOM 161 N SER A 23 18.243 24.715 46.331 1.00 34.70 N ATOM 162 CA SER A 23 17.981 23.589 45.438 1.00 36.20 C ATOM 163 C SER A 23 16.514 23.175 45.307 1.00 35.65 C ATOM 164 O SER A 23 16.081 22.767 44.233 1.00 35.63 O ATOM 165 CB SER A 23 18.815 22.381 45.869 1.00 36.95 C ATOM 166 OG SER A 23 18.432 21.933 47.154 1.00 39.74 O ATOM 0 H SER A 23 18.725 24.519 47.016 1.00 34.70 H new ATOM 0 HA SER A 23 18.237 23.905 44.557 1.00 36.20 H new ATOM 0 HB2 SER A 23 18.706 21.663 45.227 1.00 36.95 H new ATOM 0 HB3 SER A 23 19.756 22.618 45.872 1.00 36.95 H new ATOM 0 HG SER A 23 18.053 22.558 47.567 1.00 39.74 H new ATOM 167 N LYS A 24 15.749 23.265 46.389 1.00 35.73 N ATOM 168 CA LYS A 24 14.337 22.890 46.335 1.00 36.07 C ATOM 169 C LYS A 24 13.423 24.106 46.380 1.00 34.67 C ATOM 170 O LYS A 24 12.199 23.966 46.379 1.00 33.63 O ATOM 171 CB LYS A 24 13.988 21.960 47.500 1.00 37.61 C ATOM 172 CG LYS A 24 14.502 20.545 47.344 1.00 39.88 C ATOM 173 CD LYS A 24 14.258 19.732 48.606 1.00 41.20 C ATOM 174 CE LYS A 24 14.671 18.281 48.417 1.00 41.57 C ATOM 175 NZ LYS A 24 13.866 17.631 47.346 1.00 42.72 N ATOM 0 H LYS A 24 16.022 23.538 47.157 1.00 35.73 H new ATOM 0 HA LYS A 24 14.197 22.433 45.491 1.00 36.07 H new ATOM 0 HB2 LYS A 24 14.348 22.335 48.319 1.00 37.61 H new ATOM 0 HB3 LYS A 24 13.024 21.933 47.601 1.00 37.61 H new ATOM 0 HG2 LYS A 24 14.063 20.119 46.591 1.00 39.88 H new ATOM 0 HG3 LYS A 24 15.451 20.563 47.145 1.00 39.88 H new ATOM 0 HD2 LYS A 24 14.756 20.119 49.344 1.00 41.20 H new ATOM 0 HD3 LYS A 24 13.319 19.775 48.844 1.00 41.20 H new ATOM 0 HE2 LYS A 24 15.613 18.236 48.190 1.00 41.57 H new ATOM 0 HE3 LYS A 24 14.557 17.798 49.250 1.00 41.57 H new ATOM 0 HZ1 LYS A 24 13.916 16.747 47.432 1.00 42.72 H new ATOM 0 HZ2 LYS A 24 13.017 17.888 47.416 1.00 42.72 H new ATOM 0 HZ3 LYS A 24 14.183 17.870 46.550 1.00 42.72 H new ATOM 176 N ASP A 25 14.031 25.290 46.392 1.00 33.07 N ATOM 177 CA ASP A 25 13.311 26.557 46.484 1.00 33.08 C ATOM 178 C ASP A 25 12.199 26.434 47.525 1.00 28.85 C ATOM 179 O ASP A 25 11.013 26.547 47.225 1.00 28.47 O ATOM 180 CB ASP A 25 12.746 26.995 45.121 1.00 39.20 C ATOM 181 CG ASP A 25 11.758 26.007 44.542 1.00 43.94 C ATOM 182 OD1 ASP A 25 12.198 24.947 44.050 1.00 46.65 O ATOM 183 OD2 ASP A 25 10.539 26.293 44.579 1.00 46.44 O ATOM 0 H ASP A 25 14.885 25.381 46.346 1.00 33.07 H new ATOM 0 HA ASP A 25 13.935 27.246 46.761 1.00 33.08 H new ATOM 0 HB2 ASP A 25 12.313 27.857 45.219 1.00 39.20 H new ATOM 0 HB3 ASP A 25 13.479 27.115 44.497 1.00 39.20 H new ATOM 184 N GLU A 26 12.613 26.177 48.759 1.00 24.67 N ATOM 185 CA GLU A 26 11.689 26.030 49.877 1.00 23.01 C ATOM 186 C GLU A 26 12.244 26.743 51.100 1.00 19.69 C ATOM 187 O GLU A 26 13.436 27.043 51.165 1.00 19.10 O ATOM 188 CB GLU A 26 11.494 24.552 50.227 1.00 23.77 C ATOM 189 CG GLU A 26 10.866 23.709 49.134 1.00 25.85 C ATOM 190 CD GLU A 26 10.642 22.273 49.571 1.00 27.26 C ATOM 191 OE1 GLU A 26 11.586 21.664 50.122 1.00 25.18 O ATOM 192 OE2 GLU A 26 9.527 21.751 49.358 1.00 29.81 O ATOM 0 H GLU A 26 13.441 26.082 48.973 1.00 24.67 H new ATOM 0 HA GLU A 26 10.838 26.416 49.617 1.00 23.01 H new ATOM 0 HB2 GLU A 26 12.357 24.171 50.454 1.00 23.77 H new ATOM 0 HB3 GLU A 26 10.940 24.492 51.021 1.00 23.77 H new ATOM 0 HG2 GLU A 26 10.018 24.101 48.873 1.00 25.85 H new ATOM 0 HG3 GLU A 26 11.438 23.721 48.350 1.00 25.85 H new ATOM 193 N LEU A 27 11.367 27.023 52.054 1.00 16.90 N ATOM 194 CA LEU A 27 11.766 27.657 53.309 1.00 16.59 C ATOM 195 C LEU A 27 11.466 26.603 54.367 1.00 15.00 C ATOM 196 O LEU A 27 10.317 26.202 54.548 1.00 14.14 O ATOM 197 CB LEU A 27 10.957 28.934 53.551 1.00 15.62 C ATOM 198 CG LEU A 27 11.230 30.062 52.555 1.00 17.74 C ATOM 199 CD1 LEU A 27 10.395 31.283 52.924 1.00 19.83 C ATOM 200 CD2 LEU A 27 12.717 30.410 52.563 1.00 19.75 C ATOM 0 H LEU A 27 10.526 26.853 51.996 1.00 16.90 H new ATOM 0 HA LEU A 27 12.697 27.929 53.315 1.00 16.59 H new ATOM 0 HB2 LEU A 27 10.013 28.714 53.521 1.00 15.62 H new ATOM 0 HB3 LEU A 27 11.145 29.257 54.446 1.00 15.62 H new ATOM 0 HG LEU A 27 10.984 29.773 51.662 1.00 17.74 H new ATOM 0 HD11 LEU A 27 10.569 31.998 52.292 1.00 19.83 H new ATOM 0 HD12 LEU A 27 9.453 31.051 52.898 1.00 19.83 H new ATOM 0 HD13 LEU A 27 10.630 31.578 53.818 1.00 19.83 H new ATOM 0 HD21 LEU A 27 12.885 31.126 51.930 1.00 19.75 H new ATOM 0 HD22 LEU A 27 12.978 30.697 53.452 1.00 19.75 H new ATOM 0 HD23 LEU A 27 13.234 29.628 52.312 1.00 19.75 H new ATOM 201 N ILE A 28 12.514 26.156 55.051 1.00 16.85 N ATOM 202 CA ILE A 28 12.415 25.096 56.041 1.00 16.57 C ATOM 203 C ILE A 28 12.370 25.528 57.501 1.00 18.52 C ATOM 204 O ILE A 28 13.106 26.417 57.926 1.00 14.43 O ATOM 205 CB ILE A 28 13.608 24.115 55.880 1.00 19.87 C ATOM 206 CG1 ILE A 28 13.649 23.582 54.446 1.00 20.65 C ATOM 207 CG2 ILE A 28 13.495 22.945 56.878 1.00 16.81 C ATOM 208 CD1 ILE A 28 14.855 22.693 54.149 1.00 21.84 C ATOM 0 H ILE A 28 13.310 26.465 54.951 1.00 16.85 H new ATOM 0 HA ILE A 28 11.554 24.689 55.856 1.00 16.57 H new ATOM 0 HB ILE A 28 14.430 24.595 56.068 1.00 19.87 H new ATOM 0 HG12 ILE A 28 12.838 23.079 54.274 1.00 20.65 H new ATOM 0 HG13 ILE A 28 13.653 24.333 53.832 1.00 20.65 H new ATOM 0 HG21 ILE A 28 14.248 22.345 56.761 1.00 16.81 H new ATOM 0 HG22 ILE A 28 13.496 23.291 57.784 1.00 16.81 H new ATOM 0 HG23 ILE A 28 12.670 22.461 56.718 1.00 16.81 H new ATOM 0 HD11 ILE A 28 14.817 22.393 53.228 1.00 21.84 H new ATOM 0 HD12 ILE A 28 15.672 23.197 54.291 1.00 21.84 H new ATOM 0 HD13 ILE A 28 14.844 21.924 54.740 1.00 21.84 H new ATOM 209 N CYS A 29 11.489 24.897 58.269 1.00 18.50 N ATOM 210 CA CYS A 29 11.442 25.177 59.693 1.00 22.14 C ATOM 211 C CYS A 29 12.102 23.967 60.333 1.00 23.79 C ATOM 212 O CYS A 29 11.540 22.874 60.334 1.00 21.93 O ATOM 213 CB CYS A 29 10.022 25.299 60.228 1.00 20.96 C ATOM 214 SG CYS A 29 10.035 25.321 62.054 1.00 24.43 S ATOM 0 H CYS A 29 10.921 24.315 57.990 1.00 18.50 H new ATOM 0 HA CYS A 29 11.876 26.023 59.887 1.00 22.14 H new ATOM 0 HB2 CYS A 29 9.611 26.111 59.891 1.00 20.96 H new ATOM 0 HB3 CYS A 29 9.485 24.556 59.911 1.00 20.96 H new ATOM 215 N LYS A 30 13.300 24.173 60.863 1.00 24.85 N ATOM 216 CA LYS A 30 14.058 23.104 61.491 1.00 30.35 C ATOM 217 C LYS A 30 13.300 22.481 62.661 1.00 30.78 C ATOM 218 O LYS A 30 13.103 21.267 62.705 1.00 31.63 O ATOM 219 CB LYS A 30 15.414 23.654 61.954 1.00 31.90 C ATOM 220 CG LYS A 30 16.318 22.667 62.674 1.00 36.84 C ATOM 221 CD LYS A 30 16.795 21.555 61.758 1.00 40.12 C ATOM 222 CE LYS A 30 17.815 20.665 62.461 1.00 41.65 C ATOM 223 NZ LYS A 30 19.043 21.413 62.855 1.00 43.09 N ATOM 0 H LYS A 30 13.696 24.937 60.868 1.00 24.85 H new ATOM 0 HA LYS A 30 14.196 22.400 60.838 1.00 30.35 H new ATOM 0 HB2 LYS A 30 15.888 23.994 61.179 1.00 31.90 H new ATOM 0 HB3 LYS A 30 15.254 24.408 62.542 1.00 31.90 H new ATOM 0 HG2 LYS A 30 17.085 23.138 63.036 1.00 36.84 H new ATOM 0 HG3 LYS A 30 15.841 22.282 63.426 1.00 36.84 H new ATOM 0 HD2 LYS A 30 16.038 21.021 61.472 1.00 40.12 H new ATOM 0 HD3 LYS A 30 17.191 21.937 60.959 1.00 40.12 H new ATOM 0 HE2 LYS A 30 17.410 20.274 63.251 1.00 41.65 H new ATOM 0 HE3 LYS A 30 18.060 19.932 61.875 1.00 41.65 H new ATOM 0 HZ1 LYS A 30 19.755 21.034 62.479 1.00 43.09 H new ATOM 0 HZ2 LYS A 30 18.977 22.257 62.581 1.00 43.09 H new ATOM 0 HZ3 LYS A 30 19.131 21.395 63.740 1.00 43.09 H new ATOM 224 N GLY A 31 12.865 23.321 63.595 1.00 31.68 N ATOM 225 CA GLY A 31 12.148 22.848 64.768 1.00 32.72 C ATOM 226 C GLY A 31 10.881 22.043 64.535 1.00 35.44 C ATOM 227 O GLY A 31 10.508 21.216 65.371 1.00 36.07 O ATOM 0 H GLY A 31 12.977 24.173 63.565 1.00 31.68 H new ATOM 0 HA2 GLY A 31 12.757 22.304 65.292 1.00 32.72 H new ATOM 0 HA3 GLY A 31 11.918 23.619 65.310 1.00 32.72 H new ATOM 228 N ASP A 32 10.211 22.274 63.410 1.00 33.60 N ATOM 229 CA ASP A 32 8.982 21.550 63.101 1.00 30.70 C ATOM 230 C ASP A 32 9.168 20.529 61.985 1.00 29.54 C ATOM 231 O ASP A 32 8.257 19.762 61.683 1.00 27.65 O ATOM 232 CB ASP A 32 7.877 22.537 62.723 1.00 30.51 C ATOM 233 CG ASP A 32 7.201 23.148 63.938 1.00 32.92 C ATOM 234 OD1 ASP A 32 6.759 24.310 63.851 1.00 30.14 O ATOM 235 OD2 ASP A 32 7.094 22.462 64.976 1.00 30.63 O ATOM 0 H ASP A 32 10.451 22.845 62.813 1.00 33.60 H new ATOM 0 HA ASP A 32 8.731 21.060 63.899 1.00 30.70 H new ATOM 0 HB2 ASP A 32 8.253 23.244 62.176 1.00 30.51 H new ATOM 0 HB3 ASP A 32 7.213 22.082 62.182 1.00 30.51 H new ATOM 236 N ARG A 33 10.350 20.525 61.378 1.00 29.35 N ATOM 237 CA ARG A 33 10.655 19.596 60.300 1.00 29.54 C ATOM 238 C ARG A 33 9.619 19.704 59.189 1.00 29.45 C ATOM 239 O ARG A 33 9.055 18.703 58.740 1.00 28.79 O ATOM 240 CB ARG A 33 10.706 18.169 60.841 1.00 30.36 C ATOM 0 H ARG A 33 10.994 21.058 61.579 1.00 29.35 H new ATOM 0 HA ARG A 33 11.522 19.824 59.930 1.00 29.54 H new ATOM 241 N LEU A 34 9.380 20.935 58.754 1.00 27.62 N ATOM 242 CA LEU A 34 8.427 21.221 57.696 1.00 26.65 C ATOM 243 C LEU A 34 9.090 22.107 56.645 1.00 25.87 C ATOM 244 O LEU A 34 9.939 22.943 56.973 1.00 25.88 O ATOM 245 CB LEU A 34 7.206 21.951 58.264 1.00 26.35 C ATOM 246 CG LEU A 34 6.303 21.226 59.265 1.00 28.40 C ATOM 247 CD1 LEU A 34 5.215 22.177 59.730 1.00 29.64 C ATOM 248 CD2 LEU A 34 5.684 19.986 58.617 1.00 30.61 C ATOM 0 H LEU A 34 9.771 21.633 59.069 1.00 27.62 H new ATOM 0 HA LEU A 34 8.142 20.384 57.297 1.00 26.65 H new ATOM 0 HB2 LEU A 34 7.523 22.762 58.691 1.00 26.35 H new ATOM 0 HB3 LEU A 34 6.653 22.222 57.515 1.00 26.35 H new ATOM 0 HG LEU A 34 6.829 20.939 60.028 1.00 28.40 H new ATOM 0 HD11 LEU A 34 4.639 21.724 60.365 1.00 29.64 H new ATOM 0 HD12 LEU A 34 5.620 22.949 60.155 1.00 29.64 H new ATOM 0 HD13 LEU A 34 4.690 22.467 58.967 1.00 29.64 H new ATOM 0 HD21 LEU A 34 5.114 19.535 59.260 1.00 30.61 H new ATOM 0 HD22 LEU A 34 5.156 20.252 57.848 1.00 30.61 H new ATOM 0 HD23 LEU A 34 6.389 19.384 58.332 1.00 30.61 H new ATOM 249 N ALA A 35 8.701 21.918 55.388 1.00 22.47 N ATOM 250 CA ALA A 35 9.234 22.719 54.290 1.00 22.76 C ATOM 251 C ALA A 35 8.074 23.433 53.608 1.00 23.38 C ATOM 252 O ALA A 35 7.122 22.795 53.155 1.00 24.99 O ATOM 253 CB ALA A 35 9.961 21.832 53.278 1.00 23.87 C ATOM 0 H ALA A 35 8.125 21.326 55.148 1.00 22.47 H new ATOM 0 HA ALA A 35 9.870 23.363 54.639 1.00 22.76 H new ATOM 0 HB1 ALA A 35 10.308 22.380 52.557 1.00 23.87 H new ATOM 0 HB2 ALA A 35 10.695 21.374 53.717 1.00 23.87 H new ATOM 0 HB3 ALA A 35 9.342 21.178 52.917 1.00 23.87 H new ATOM 254 N PHE A 36 8.146 24.757 53.548 1.00 20.56 N ATOM 255 CA PHE A 36 7.103 25.536 52.902 1.00 21.14 C ATOM 256 C PHE A 36 7.562 25.856 51.493 1.00 19.83 C ATOM 257 O PHE A 36 8.728 26.149 51.262 1.00 20.09 O ATOM 258 CB PHE A 36 6.819 26.816 53.695 1.00 21.73 C ATOM 259 CG PHE A 36 6.297 26.548 55.068 1.00 24.52 C ATOM 260 CD1 PHE A 36 7.163 26.166 56.087 1.00 22.11 C ATOM 261 CD2 PHE A 36 4.930 26.589 55.328 1.00 22.80 C ATOM 262 CE1 PHE A 36 6.677 25.822 57.340 1.00 23.12 C ATOM 263 CE2 PHE A 36 4.435 26.245 56.579 1.00 25.00 C ATOM 264 CZ PHE A 36 5.309 25.859 57.587 1.00 23.69 C ATOM 0 H PHE A 36 8.791 25.222 53.876 1.00 20.56 H new ATOM 0 HA PHE A 36 6.276 25.030 52.870 1.00 21.14 H new ATOM 0 HB2 PHE A 36 7.634 27.338 53.760 1.00 21.73 H new ATOM 0 HB3 PHE A 36 6.175 27.355 53.209 1.00 21.73 H new ATOM 0 HD1 PHE A 36 8.079 26.141 55.927 1.00 22.11 H new ATOM 0 HD2 PHE A 36 4.342 26.850 54.656 1.00 22.80 H new ATOM 0 HE1 PHE A 36 7.265 25.567 58.014 1.00 23.12 H new ATOM 0 HE2 PHE A 36 3.520 26.273 56.742 1.00 25.00 H new ATOM 0 HZ PHE A 36 4.980 25.626 58.425 1.00 23.69 H new ATOM 265 N PRO A 37 6.642 25.796 50.527 1.00 20.23 N ATOM 266 CA PRO A 37 7.019 26.081 49.147 1.00 20.13 C ATOM 267 C PRO A 37 7.066 27.554 48.787 1.00 20.45 C ATOM 268 O PRO A 37 6.427 28.392 49.422 1.00 20.85 O ATOM 269 CB PRO A 37 5.957 25.338 48.353 1.00 20.33 C ATOM 270 CG PRO A 37 4.726 25.566 49.196 1.00 23.12 C ATOM 271 CD PRO A 37 5.237 25.354 50.620 1.00 20.28 C ATOM 0 HA PRO A 37 7.929 25.799 48.964 1.00 20.13 H new ATOM 0 HB2 PRO A 37 5.856 25.696 47.457 1.00 20.33 H new ATOM 0 HB3 PRO A 37 6.165 24.395 48.260 1.00 20.33 H new ATOM 0 HG2 PRO A 37 4.367 26.459 49.073 1.00 23.12 H new ATOM 0 HG3 PRO A 37 4.018 24.942 48.972 1.00 23.12 H new ATOM 0 HD2 PRO A 37 4.736 25.878 51.265 1.00 20.28 H new ATOM 0 HD3 PRO A 37 5.168 24.426 50.894 1.00 20.28 H new ATOM 272 N ILE A 38 7.839 27.849 47.755 1.00 21.88 N ATOM 273 CA ILE A 38 7.962 29.191 47.223 1.00 24.39 C ATOM 274 C ILE A 38 7.397 29.027 45.817 1.00 27.35 C ATOM 275 O ILE A 38 7.968 28.315 44.990 1.00 28.43 O ATOM 276 CB ILE A 38 9.436 29.639 47.164 1.00 25.38 C ATOM 277 CG1 ILE A 38 10.028 29.656 48.584 1.00 22.57 C ATOM 278 CG2 ILE A 38 9.535 31.031 46.514 1.00 24.94 C ATOM 279 CD1 ILE A 38 11.535 29.894 48.624 1.00 23.81 C ATOM 0 H ILE A 38 8.314 27.265 47.338 1.00 21.88 H new ATOM 0 HA ILE A 38 7.510 29.862 47.759 1.00 24.39 H new ATOM 0 HB ILE A 38 9.944 29.013 46.624 1.00 25.38 H new ATOM 0 HG12 ILE A 38 9.587 30.348 49.100 1.00 22.57 H new ATOM 0 HG13 ILE A 38 9.832 28.810 49.017 1.00 22.57 H new ATOM 0 HG21 ILE A 38 10.464 31.307 46.480 1.00 24.94 H new ATOM 0 HG22 ILE A 38 9.176 30.994 45.614 1.00 24.94 H new ATOM 0 HG23 ILE A 38 9.027 31.670 47.038 1.00 24.94 H new ATOM 0 HD11 ILE A 38 11.839 29.892 49.545 1.00 23.81 H new ATOM 0 HD12 ILE A 38 11.987 29.190 48.134 1.00 23.81 H new ATOM 0 HD13 ILE A 38 11.738 30.751 48.219 1.00 23.81 H new ATOM 280 N LYS A 39 6.250 29.645 45.564 1.00 27.86 N ATOM 281 CA LYS A 39 5.603 29.541 44.261 1.00 30.22 C ATOM 282 C LYS A 39 5.636 30.883 43.545 1.00 30.68 C ATOM 283 O LYS A 39 5.246 31.900 44.109 1.00 30.17 O ATOM 284 CB LYS A 39 4.158 29.069 44.436 1.00 31.59 C ATOM 285 CG LYS A 39 4.045 27.696 45.094 1.00 33.77 C ATOM 286 CD LYS A 39 2.611 27.195 45.115 1.00 35.69 C ATOM 287 CE LYS A 39 2.525 25.824 45.771 1.00 36.18 C ATOM 288 NZ LYS A 39 1.145 25.271 45.739 1.00 37.84 N ATOM 0 H LYS A 39 5.828 30.131 46.134 1.00 27.86 H new ATOM 0 HA LYS A 39 6.084 28.894 43.722 1.00 30.22 H new ATOM 0 HB2 LYS A 39 3.675 29.718 44.972 1.00 31.59 H new ATOM 0 HB3 LYS A 39 3.726 29.041 43.568 1.00 31.59 H new ATOM 0 HG2 LYS A 39 4.602 27.062 44.616 1.00 33.77 H new ATOM 0 HG3 LYS A 39 4.384 27.744 46.002 1.00 33.77 H new ATOM 0 HD2 LYS A 39 2.052 27.824 45.597 1.00 35.69 H new ATOM 0 HD3 LYS A 39 2.268 27.146 44.209 1.00 35.69 H new ATOM 0 HE2 LYS A 39 3.127 25.213 45.319 1.00 36.18 H new ATOM 0 HE3 LYS A 39 2.825 25.888 46.691 1.00 36.18 H new ATOM 0 HZ1 LYS A 39 0.862 25.131 46.571 1.00 37.84 H new ATOM 0 HZ2 LYS A 39 0.603 25.849 45.335 1.00 37.84 H new ATOM 0 HZ3 LYS A 39 1.144 24.501 45.292 1.00 37.84 H new ATOM 289 N ASP A 40 6.111 30.884 42.306 1.00 32.42 N ATOM 290 CA ASP A 40 6.203 32.123 41.540 1.00 34.91 C ATOM 291 C ASP A 40 7.006 33.140 42.348 1.00 34.49 C ATOM 292 O ASP A 40 6.688 34.323 42.360 1.00 36.46 O ATOM 293 CB ASP A 40 4.804 32.670 41.252 1.00 34.18 C ATOM 0 H ASP A 40 6.385 30.182 41.891 1.00 32.42 H new ATOM 0 HA ASP A 40 6.645 31.952 40.694 1.00 34.91 H new ATOM 294 N GLY A 41 8.040 32.665 43.033 1.00 35.20 N ATOM 295 CA GLY A 41 8.867 33.547 43.838 1.00 34.08 C ATOM 296 C GLY A 41 8.201 34.033 45.115 1.00 32.46 C ATOM 297 O GLY A 41 8.709 34.944 45.772 1.00 33.75 O ATOM 0 H GLY A 41 8.277 31.838 43.044 1.00 35.20 H new ATOM 0 HA2 GLY A 41 9.687 33.083 44.069 1.00 34.08 H new ATOM 0 HA3 GLY A 41 9.118 34.316 43.303 1.00 34.08 H new ATOM 298 N ILE A 42 7.077 33.422 45.485 1.00 30.06 N ATOM 299 CA ILE A 42 6.361 33.826 46.688 1.00 27.38 C ATOM 300 C ILE A 42 6.282 32.743 47.762 1.00 26.18 C ATOM 301 O ILE A 42 5.657 31.703 47.569 1.00 22.24 O ATOM 302 CB ILE A 42 4.927 34.274 46.355 1.00 30.60 C ATOM 303 CG1 ILE A 42 4.974 35.501 45.436 1.00 32.05 C ATOM 304 CG2 ILE A 42 4.164 34.594 47.639 1.00 28.21 C ATOM 305 CD1 ILE A 42 3.616 36.019 45.042 1.00 34.86 C ATOM 0 H ILE A 42 6.715 32.773 45.053 1.00 30.06 H new ATOM 0 HA ILE A 42 6.882 34.562 47.046 1.00 27.38 H new ATOM 0 HB ILE A 42 4.464 33.555 45.897 1.00 30.60 H new ATOM 0 HG12 ILE A 42 5.464 36.210 45.882 1.00 32.05 H new ATOM 0 HG13 ILE A 42 5.470 35.275 44.634 1.00 32.05 H new ATOM 0 HG21 ILE A 42 3.262 34.875 47.418 1.00 28.21 H new ATOM 0 HG22 ILE A 42 4.128 33.803 48.200 1.00 28.21 H new ATOM 0 HG23 ILE A 42 4.617 35.307 48.116 1.00 28.21 H new ATOM 0 HD11 ILE A 42 3.719 36.791 44.464 1.00 34.86 H new ATOM 0 HD12 ILE A 42 3.129 35.325 44.570 1.00 34.86 H new ATOM 0 HD13 ILE A 42 3.124 36.275 45.838 1.00 34.86 H new ATOM 306 N PRO A 43 6.915 32.985 48.920 1.00 25.37 N ATOM 307 CA PRO A 43 6.874 31.988 49.994 1.00 24.48 C ATOM 308 C PRO A 43 5.434 31.787 50.466 1.00 24.77 C ATOM 309 O PRO A 43 4.758 32.744 50.857 1.00 21.97 O ATOM 310 CB PRO A 43 7.762 32.607 51.069 1.00 25.72 C ATOM 311 CG PRO A 43 8.754 33.407 50.256 1.00 27.08 C ATOM 312 CD PRO A 43 7.836 34.082 49.261 1.00 23.89 C ATOM 0 HA PRO A 43 7.181 31.105 49.734 1.00 24.48 H new ATOM 0 HB2 PRO A 43 7.255 33.170 51.675 1.00 25.72 H new ATOM 0 HB3 PRO A 43 8.200 31.930 51.609 1.00 25.72 H new ATOM 0 HG2 PRO A 43 9.241 34.047 50.798 1.00 27.08 H new ATOM 0 HG3 PRO A 43 9.413 32.842 49.823 1.00 27.08 H new ATOM 0 HD2 PRO A 43 7.372 34.841 49.649 1.00 23.89 H new ATOM 0 HD3 PRO A 43 8.317 34.410 48.485 1.00 23.89 H new HETATM 313 N MSE A 44 4.967 30.543 50.418 1.00 23.05 N HETATM 314 CA MSE A 44 3.607 30.226 50.831 1.00 24.72 C HETATM 315 C MSE A 44 3.562 29.897 52.322 1.00 25.83 C HETATM 316 O MSE A 44 3.563 28.733 52.716 1.00 22.78 O HETATM 317 CB MSE A 44 3.082 29.046 50.010 1.00 28.98 C HETATM 318 CG MSE A 44 3.142 29.270 48.505 1.00 32.58 C HETATM 319 SE MSE A 44 2.156 30.840 47.937 1.00 42.60 SE HETATM 320 CE MSE A 44 0.364 30.114 47.963 1.00 37.64 C HETATM 0 H MSE A 44 5.425 29.867 50.148 1.00 23.05 H new HETATM 0 HA MSE A 44 3.042 30.999 50.674 1.00 24.72 H new HETATM 0 HB2 MSE A 44 3.597 28.254 50.232 1.00 28.98 H new HETATM 0 HB3 MSE A 44 2.163 28.868 50.266 1.00 28.98 H new HETATM 0 HG2 MSE A 44 4.069 29.359 48.232 1.00 32.58 H new HETATM 0 HG3 MSE A 44 2.787 28.489 48.052 1.00 32.58 H new HETATM 0 HE1 MSE A 44 -0.267 30.800 47.694 1.00 37.64 H new HETATM 0 HE2 MSE A 44 0.309 29.365 47.349 1.00 37.64 H new HETATM 0 HE3 MSE A 44 0.150 29.812 48.860 1.00 37.64 H new HETATM 321 N MSE A 45 3.507 30.940 53.143 1.00 25.95 N HETATM 322 CA MSE A 45 3.484 30.791 54.591 1.00 27.87 C HETATM 323 C MSE A 45 2.131 30.326 55.133 1.00 26.60 C HETATM 324 O MSE A 45 1.451 31.065 55.845 1.00 26.36 O HETATM 325 CB MSE A 45 3.869 32.122 55.238 1.00 29.91 C HETATM 326 CG MSE A 45 5.205 32.658 54.773 1.00 30.82 C HETATM 327 SE MSE A 45 6.675 31.584 55.400 1.00 43.84 SE HETATM 328 CE MSE A 45 6.841 30.338 53.999 1.00 16.04 C HETATM 0 H MSE A 45 3.482 31.756 52.874 1.00 25.95 H new HETATM 0 HA MSE A 45 4.124 30.097 54.816 1.00 27.87 H new HETATM 0 HB2 MSE A 45 3.181 32.778 55.045 1.00 29.91 H new HETATM 0 HB3 MSE A 45 3.892 32.010 56.201 1.00 29.91 H new HETATM 0 HG2 MSE A 45 5.220 32.690 53.804 1.00 30.82 H new HETATM 0 HG3 MSE A 45 5.314 33.569 55.088 1.00 30.82 H new HETATM 0 HE1 MSE A 45 7.565 29.724 54.196 1.00 16.04 H new HETATM 0 HE2 MSE A 45 6.013 29.842 53.907 1.00 16.04 H new HETATM 0 HE3 MSE A 45 7.031 30.806 53.171 1.00 16.04 H new ATOM 329 N LEU A 46 1.754 29.098 54.790 1.00 26.44 N ATOM 330 CA LEU A 46 0.497 28.506 55.228 1.00 26.82 C ATOM 331 C LEU A 46 0.736 27.069 55.665 1.00 26.50 C ATOM 332 O LEU A 46 1.371 26.305 54.957 1.00 24.33 O ATOM 333 CB LEU A 46 -0.527 28.522 54.093 1.00 27.10 C ATOM 334 CG LEU A 46 -1.145 29.872 53.732 1.00 27.86 C ATOM 335 CD1 LEU A 46 -1.938 29.741 52.430 1.00 28.23 C ATOM 336 CD2 LEU A 46 -2.034 30.343 54.878 1.00 29.09 C ATOM 0 H LEU A 46 2.227 28.581 54.291 1.00 26.44 H new ATOM 0 HA LEU A 46 0.153 29.025 55.971 1.00 26.82 H new ATOM 0 HB2 LEU A 46 -0.101 28.164 53.298 1.00 27.10 H new ATOM 0 HB3 LEU A 46 -1.246 27.915 54.328 1.00 27.10 H new ATOM 0 HG LEU A 46 -0.448 30.533 53.595 1.00 27.86 H new ATOM 0 HD11 LEU A 46 -2.330 30.599 52.202 1.00 28.23 H new ATOM 0 HD12 LEU A 46 -1.345 29.457 51.717 1.00 28.23 H new ATOM 0 HD13 LEU A 46 -2.643 29.084 52.545 1.00 28.23 H new ATOM 0 HD21 LEU A 46 -2.428 31.200 54.651 1.00 29.09 H new ATOM 0 HD22 LEU A 46 -2.739 29.694 55.029 1.00 29.09 H new ATOM 0 HD23 LEU A 46 -1.502 30.435 55.684 1.00 29.09 H new ATOM 337 N GLU A 47 0.217 26.704 56.832 1.00 28.69 N ATOM 338 CA GLU A 47 0.388 25.352 57.347 1.00 29.56 C ATOM 339 C GLU A 47 -0.063 24.302 56.326 1.00 28.88 C ATOM 340 O GLU A 47 0.604 23.288 56.127 1.00 28.19 O ATOM 341 CB GLU A 47 -0.380 25.201 58.662 1.00 33.83 C ATOM 342 CG GLU A 47 -0.402 23.790 59.219 1.00 38.63 C ATOM 343 CD GLU A 47 -0.788 23.745 60.688 1.00 42.12 C ATOM 344 OE1 GLU A 47 -1.719 24.475 61.091 1.00 44.38 O ATOM 345 OE2 GLU A 47 -0.165 22.963 61.438 1.00 43.85 O ATOM 0 H GLU A 47 -0.239 27.226 57.342 1.00 28.69 H new ATOM 0 HA GLU A 47 1.332 25.203 57.513 1.00 29.56 H new ATOM 0 HB2 GLU A 47 0.014 25.791 59.323 1.00 33.83 H new ATOM 0 HB3 GLU A 47 -1.294 25.497 58.526 1.00 33.83 H new ATOM 0 HG2 GLU A 47 -1.028 23.254 58.707 1.00 38.63 H new ATOM 0 HG3 GLU A 47 0.474 23.388 59.106 1.00 38.63 H new ATOM 346 N SER A 48 -1.182 24.565 55.663 1.00 26.80 N ATOM 347 CA SER A 48 -1.723 23.652 54.658 1.00 26.40 C ATOM 348 C SER A 48 -0.761 23.361 53.499 1.00 26.32 C ATOM 349 O SER A 48 -0.838 22.305 52.871 1.00 24.39 O ATOM 350 CB SER A 48 -3.017 24.232 54.090 1.00 26.57 C ATOM 351 OG SER A 48 -2.764 25.476 53.458 1.00 26.92 O ATOM 0 H SER A 48 -1.651 25.276 55.781 1.00 26.80 H new ATOM 0 HA SER A 48 -1.878 22.809 55.113 1.00 26.40 H new ATOM 0 HB2 SER A 48 -3.404 23.612 53.453 1.00 26.57 H new ATOM 0 HB3 SER A 48 -3.666 24.350 54.802 1.00 26.57 H new ATOM 0 HG SER A 48 -2.916 26.101 53.998 1.00 26.92 H new ATOM 352 N GLU A 49 0.134 24.307 53.216 1.00 25.44 N ATOM 353 CA GLU A 49 1.094 24.176 52.122 1.00 26.55 C ATOM 354 C GLU A 49 2.374 23.424 52.488 1.00 26.14 C ATOM 355 O GLU A 49 3.088 22.962 51.610 1.00 25.98 O ATOM 356 CB GLU A 49 1.475 25.571 51.603 1.00 28.63 C ATOM 357 CG GLU A 49 0.329 26.352 50.980 1.00 27.61 C ATOM 358 CD GLU A 49 0.092 25.983 49.529 1.00 30.79 C ATOM 359 OE1 GLU A 49 -0.870 26.511 48.929 1.00 29.84 O ATOM 360 OE2 GLU A 49 0.871 25.172 48.985 1.00 29.74 O ATOM 0 H GLU A 49 0.201 25.044 53.654 1.00 25.44 H new ATOM 0 HA GLU A 49 0.647 23.648 51.443 1.00 26.55 H new ATOM 0 HB2 GLU A 49 1.840 26.088 52.338 1.00 28.63 H new ATOM 0 HB3 GLU A 49 2.181 25.476 50.945 1.00 28.63 H new ATOM 0 HG2 GLU A 49 -0.482 26.190 51.488 1.00 27.61 H new ATOM 0 HG3 GLU A 49 0.518 27.301 51.042 1.00 27.61 H new ATOM 361 N ALA A 50 2.658 23.306 53.781 1.00 29.23 N ATOM 362 CA ALA A 50 3.874 22.644 54.246 1.00 30.21 C ATOM 363 C ALA A 50 3.910 21.133 54.062 1.00 32.29 C ATOM 364 O ALA A 50 2.896 20.446 54.163 1.00 30.24 O ATOM 365 CB ALA A 50 4.114 22.980 55.709 1.00 30.55 C ATOM 0 H ALA A 50 2.155 23.605 54.411 1.00 29.23 H new ATOM 0 HA ALA A 50 4.581 22.989 53.678 1.00 30.21 H new ATOM 0 HB1 ALA A 50 4.922 22.539 56.014 1.00 30.55 H new ATOM 0 HB2 ALA A 50 4.213 23.940 55.809 1.00 30.55 H new ATOM 0 HB3 ALA A 50 3.360 22.676 56.239 1.00 30.55 H new ATOM 366 N ARG A 51 5.104 20.624 53.794 1.00 34.36 N ATOM 367 CA ARG A 51 5.300 19.192 53.625 1.00 36.76 C ATOM 368 C ARG A 51 6.267 18.763 54.724 1.00 36.62 C ATOM 369 O ARG A 51 7.176 19.513 55.073 1.00 35.03 O ATOM 370 CB ARG A 51 5.926 18.895 52.264 1.00 37.86 C ATOM 371 CG ARG A 51 7.307 19.491 52.121 1.00 40.58 C ATOM 372 CD ARG A 51 8.111 18.860 51.003 1.00 43.60 C ATOM 373 NE ARG A 51 9.528 19.145 51.201 1.00 47.56 N ATOM 374 CZ ARG A 51 10.508 18.708 50.421 1.00 48.30 C ATOM 375 NH1 ARG A 51 10.241 17.955 49.364 1.00 51.35 N ATOM 376 NH2 ARG A 51 11.762 19.024 50.708 1.00 48.87 N ATOM 0 H ARG A 51 5.819 21.094 53.705 1.00 34.36 H new ATOM 0 HA ARG A 51 4.455 18.719 53.676 1.00 36.76 H new ATOM 0 HB2 ARG A 51 5.977 17.935 52.137 1.00 37.86 H new ATOM 0 HB3 ARG A 51 5.352 19.244 51.564 1.00 37.86 H new ATOM 0 HG2 ARG A 51 7.227 20.444 51.957 1.00 40.58 H new ATOM 0 HG3 ARG A 51 7.787 19.386 52.957 1.00 40.58 H new ATOM 0 HD2 ARG A 51 7.963 17.901 50.987 1.00 43.60 H new ATOM 0 HD3 ARG A 51 7.818 19.207 50.146 1.00 43.60 H new ATOM 0 HE ARG A 51 9.745 19.634 51.875 1.00 47.56 H new ATOM 0 HH11 ARG A 51 9.427 17.746 49.179 1.00 51.35 H new ATOM 0 HH12 ARG A 51 10.881 17.675 48.863 1.00 51.35 H new ATOM 0 HH21 ARG A 51 11.936 19.509 51.396 1.00 48.87 H new ATOM 0 HH22 ARG A 51 12.402 18.744 50.206 1.00 48.87 H new ATOM 377 N GLU A 52 6.068 17.572 55.280 1.00 38.03 N ATOM 378 CA GLU A 52 6.967 17.071 56.315 1.00 39.54 C ATOM 379 C GLU A 52 8.264 16.654 55.633 1.00 39.14 C ATOM 380 O GLU A 52 8.231 16.169 54.503 1.00 37.29 O ATOM 381 CB GLU A 52 6.379 15.851 57.003 1.00 42.89 C ATOM 382 CG GLU A 52 5.115 16.106 57.769 1.00 47.59 C ATOM 383 CD GLU A 52 4.704 14.899 58.579 1.00 50.07 C ATOM 384 OE1 GLU A 52 5.545 14.380 59.346 1.00 52.42 O ATOM 385 OE2 GLU A 52 3.541 14.471 58.448 1.00 51.99 O ATOM 0 H GLU A 52 5.423 17.041 55.074 1.00 38.03 H new ATOM 0 HA GLU A 52 7.110 17.763 56.979 1.00 39.54 H new ATOM 0 HB2 GLU A 52 6.204 15.171 56.334 1.00 42.89 H new ATOM 0 HB3 GLU A 52 7.042 15.487 57.610 1.00 42.89 H new ATOM 0 HG2 GLU A 52 5.241 16.865 58.359 1.00 47.59 H new ATOM 0 HG3 GLU A 52 4.404 16.341 57.153 1.00 47.59 H new ATOM 386 N LEU A 53 9.394 16.840 56.316 1.00 37.54 N ATOM 387 CA LEU A 53 10.699 16.481 55.767 1.00 38.96 C ATOM 388 C LEU A 53 10.917 14.978 55.858 1.00 40.20 C ATOM 389 O LEU A 53 10.369 14.300 56.736 1.00 37.57 O ATOM 390 CB LEU A 53 11.830 17.193 56.510 1.00 38.57 C ATOM 391 CG LEU A 53 11.906 18.716 56.541 1.00 39.25 C ATOM 392 CD1 LEU A 53 13.079 19.070 57.423 1.00 37.02 C ATOM 393 CD2 LEU A 53 12.007 19.320 55.139 1.00 37.48 C ATOM 0 H LEU A 53 9.424 17.176 57.107 1.00 37.54 H new ATOM 0 HA LEU A 53 10.710 16.760 54.838 1.00 38.96 H new ATOM 0 HB2 LEU A 53 11.801 16.890 57.431 1.00 38.57 H new ATOM 0 HB3 LEU A 53 12.665 16.874 56.133 1.00 38.57 H new ATOM 0 HG LEU A 53 11.090 19.096 56.903 1.00 39.25 H new ATOM 0 HD11 LEU A 53 13.167 20.035 57.473 1.00 37.02 H new ATOM 0 HD12 LEU A 53 12.934 18.713 58.313 1.00 37.02 H new ATOM 0 HD13 LEU A 53 13.890 18.691 57.051 1.00 37.02 H new ATOM 0 HD21 LEU A 53 12.053 20.287 55.205 1.00 37.48 H new ATOM 0 HD22 LEU A 53 12.806 18.988 54.700 1.00 37.48 H new ATOM 0 HD23 LEU A 53 11.226 19.069 54.621 1.00 37.48 H new ATOM 394 N ALA A 54 11.660 14.446 54.897 1.00 42.55 N ATOM 395 CA ALA A 54 11.951 13.030 54.912 1.00 45.66 C ATOM 396 C ALA A 54 13.176 12.960 55.856 1.00 46.59 C ATOM 397 O ALA A 54 13.861 13.963 56.110 1.00 44.98 O ATOM 398 CB ALA A 54 12.315 12.562 53.522 1.00 45.17 C ATOM 0 H ALA A 54 11.999 14.883 54.238 1.00 42.55 H new ATOM 0 HA ALA A 54 11.210 12.473 55.198 1.00 45.66 H new ATOM 0 HB1 ALA A 54 12.509 11.612 53.541 1.00 45.17 H new ATOM 0 HB2 ALA A 54 11.573 12.729 52.920 1.00 45.17 H new ATOM 0 HB3 ALA A 54 13.097 13.045 53.212 1.00 45.17 H new ATOM 399 N PRO A 55 13.469 11.782 56.404 1.00 48.88 N ATOM 400 CA PRO A 55 14.633 11.743 57.290 1.00 49.36 C ATOM 401 C PRO A 55 15.924 11.868 56.500 1.00 49.10 C ATOM 402 O PRO A 55 16.955 12.209 57.074 1.00 49.41 O ATOM 403 CB PRO A 55 14.518 10.394 58.008 1.00 49.92 C ATOM 404 CG PRO A 55 13.384 9.626 57.299 1.00 49.86 C ATOM 405 CD PRO A 55 12.955 10.441 56.098 1.00 49.19 C ATOM 0 HA PRO A 55 14.653 12.481 57.919 1.00 49.36 H new ATOM 0 HB2 PRO A 55 15.353 9.903 57.959 1.00 49.92 H new ATOM 0 HB3 PRO A 55 14.317 10.518 58.949 1.00 49.92 H new ATOM 0 HG2 PRO A 55 13.689 8.748 57.023 1.00 49.86 H new ATOM 0 HG3 PRO A 55 12.637 9.490 57.902 1.00 49.86 H new ATOM 0 HD2 PRO A 55 13.331 10.092 55.275 1.00 49.19 H new ATOM 0 HD3 PRO A 55 11.991 10.442 55.991 1.00 49.19 H new ATOM 406 N GLU A 56 15.854 11.594 55.196 1.00 49.76 N ATOM 407 CA GLU A 56 17.008 11.695 54.321 1.00 50.35 C ATOM 408 C GLU A 56 17.311 13.172 54.116 1.00 49.85 C ATOM 409 O GLU A 56 18.388 13.536 53.636 1.00 49.51 O ATOM 410 CB GLU A 56 16.707 11.024 52.981 1.00 51.26 C ATOM 411 CG GLU A 56 15.431 11.526 52.337 1.00 53.10 C ATOM 412 CD GLU A 56 14.755 10.485 51.478 1.00 53.59 C ATOM 413 OE1 GLU A 56 15.124 10.367 50.288 1.00 53.85 O ATOM 414 OE2 GLU A 56 13.854 9.787 52.001 1.00 54.69 O ATOM 0 H GLU A 56 15.133 11.345 54.799 1.00 49.76 H new ATOM 0 HA GLU A 56 17.774 11.249 54.716 1.00 50.35 H new ATOM 0 HB2 GLU A 56 17.450 11.176 52.376 1.00 51.26 H new ATOM 0 HB3 GLU A 56 16.640 10.065 53.113 1.00 51.26 H new ATOM 0 HG2 GLU A 56 14.817 11.815 53.030 1.00 53.10 H new ATOM 0 HG3 GLU A 56 15.633 12.304 51.795 1.00 53.10 H new ATOM 415 N GLU A 57 16.351 14.016 54.485 1.00 49.42 N ATOM 416 CA GLU A 57 16.508 15.454 54.357 1.00 47.58 C ATOM 417 C GLU A 57 16.924 16.091 55.674 1.00 47.99 C ATOM 418 O GLU A 57 17.538 17.153 55.658 1.00 47.15 O ATOM 419 CB GLU A 57 15.208 16.103 53.891 1.00 46.64 C ATOM 420 CG GLU A 57 14.721 15.635 52.543 1.00 43.93 C ATOM 421 CD GLU A 57 13.489 16.393 52.091 1.00 43.60 C ATOM 422 OE1 GLU A 57 13.646 17.469 51.469 1.00 42.03 O ATOM 423 OE2 GLU A 57 12.369 15.916 52.374 1.00 41.58 O ATOM 0 H GLU A 57 15.596 13.769 54.814 1.00 49.42 H new ATOM 0 HA GLU A 57 17.205 15.602 53.699 1.00 47.58 H new ATOM 0 HB2 GLU A 57 14.518 15.927 54.550 1.00 46.64 H new ATOM 0 HB3 GLU A 57 15.333 17.064 53.861 1.00 46.64 H new ATOM 0 HG2 GLU A 57 15.427 15.747 51.888 1.00 43.93 H new ATOM 0 HG3 GLU A 57 14.520 14.687 52.584 1.00 43.93 H new ATOM 424 N GLU A 58 16.567 15.482 56.804 1.00 48.77 N ATOM 425 CA GLU A 58 16.950 16.034 58.097 1.00 51.17 C ATOM 426 C GLU A 58 18.468 15.962 58.242 1.00 51.72 C ATOM 427 O GLU A 58 19.070 16.741 58.979 1.00 51.97 O ATOM 428 CB GLU A 58 16.271 15.256 59.226 1.00 52.56 C ATOM 429 CG GLU A 58 15.041 15.947 59.787 1.00 54.83 C ATOM 430 CD GLU A 58 14.299 15.104 60.799 1.00 56.97 C ATOM 431 OE1 GLU A 58 13.430 14.309 60.385 1.00 58.39 O ATOM 432 OE2 GLU A 58 14.592 15.236 62.005 1.00 58.25 O ATOM 0 H GLU A 58 16.108 14.756 56.842 1.00 48.77 H new ATOM 0 HA GLU A 58 16.665 16.960 58.151 1.00 51.17 H new ATOM 0 HB2 GLU A 58 16.018 14.379 58.898 1.00 52.56 H new ATOM 0 HB3 GLU A 58 16.910 15.117 59.943 1.00 52.56 H new ATOM 0 HG2 GLU A 58 15.307 16.782 60.202 1.00 54.83 H new ATOM 0 HG3 GLU A 58 14.441 16.171 59.058 1.00 54.83 H new ATOM 433 N VAL A 59 19.086 15.033 57.517 1.00 52.18 N ATOM 434 CA VAL A 59 20.535 14.858 57.584 1.00 51.91 C ATOM 435 C VAL A 59 21.358 16.105 57.253 1.00 51.35 C ATOM 436 O VAL A 59 22.323 16.401 57.952 1.00 51.17 O ATOM 437 CB VAL A 59 21.031 13.692 56.666 1.00 52.28 C ATOM 438 CG1 VAL A 59 20.325 12.405 57.027 1.00 52.70 C ATOM 439 CG2 VAL A 59 20.802 14.025 55.206 1.00 52.94 C ATOM 0 H VAL A 59 18.685 14.494 56.980 1.00 52.18 H new ATOM 0 HA VAL A 59 20.686 14.649 58.519 1.00 51.91 H new ATOM 0 HB VAL A 59 21.984 13.576 56.807 1.00 52.28 H new ATOM 0 HG11 VAL A 59 20.640 11.690 56.452 1.00 52.70 H new ATOM 0 HG12 VAL A 59 20.512 12.181 57.952 1.00 52.70 H new ATOM 0 HG13 VAL A 59 19.369 12.516 56.909 1.00 52.70 H new ATOM 0 HG21 VAL A 59 21.115 13.292 54.654 1.00 52.94 H new ATOM 0 HG22 VAL A 59 19.855 14.165 55.050 1.00 52.94 H new ATOM 0 HG23 VAL A 59 21.289 14.832 54.978 1.00 52.94 H new ATOM 440 N LYS A 60 20.986 16.844 56.207 1.00 50.98 N ATOM 441 CA LYS A 60 21.760 18.029 55.823 1.00 50.97 C ATOM 442 C LYS A 60 21.614 19.260 56.715 1.00 50.80 C ATOM 443 O LYS A 60 22.423 20.184 56.636 1.00 51.40 O ATOM 444 CB LYS A 60 21.469 18.425 54.372 1.00 51.70 C ATOM 445 CG LYS A 60 20.078 18.949 54.106 1.00 53.41 C ATOM 446 CD LYS A 60 19.972 19.400 52.663 1.00 53.63 C ATOM 447 CE LYS A 60 18.542 19.729 52.286 1.00 55.01 C ATOM 448 NZ LYS A 60 18.423 20.043 50.835 1.00 56.04 N ATOM 0 H LYS A 60 20.301 16.682 55.713 1.00 50.98 H new ATOM 0 HA LYS A 60 22.679 17.739 55.937 1.00 50.97 H new ATOM 0 HB2 LYS A 60 22.109 19.102 54.104 1.00 51.70 H new ATOM 0 HB3 LYS A 60 21.620 17.652 53.806 1.00 51.70 H new ATOM 0 HG2 LYS A 60 19.422 18.258 54.288 1.00 53.41 H new ATOM 0 HG3 LYS A 60 19.882 19.689 54.701 1.00 53.41 H new ATOM 0 HD2 LYS A 60 20.532 20.180 52.525 1.00 53.63 H new ATOM 0 HD3 LYS A 60 20.309 18.702 52.079 1.00 53.63 H new ATOM 0 HE2 LYS A 60 17.967 18.979 52.505 1.00 55.01 H new ATOM 0 HE3 LYS A 60 18.233 20.485 52.809 1.00 55.01 H new ATOM 0 HZ1 LYS A 60 17.906 20.760 50.728 1.00 56.04 H new ATOM 0 HZ2 LYS A 60 19.231 20.207 50.499 1.00 56.04 H new ATOM 0 HZ3 LYS A 60 18.061 19.350 50.410 1.00 56.04 H new ATOM 449 N LEU A 61 20.586 19.290 57.552 1.00 50.17 N ATOM 450 CA LEU A 61 20.405 20.417 58.455 1.00 49.44 C ATOM 451 C LEU A 61 21.080 19.981 59.745 1.00 49.76 C ATOM 452 O LEU A 61 21.144 20.731 60.722 1.00 50.49 O ATOM 453 CB LEU A 61 18.916 20.686 58.669 1.00 48.32 C ATOM 454 CG LEU A 61 18.151 20.866 57.351 1.00 47.27 C ATOM 455 CD1 LEU A 61 16.658 20.906 57.610 1.00 46.90 C ATOM 456 CD2 LEU A 61 18.616 22.135 56.656 1.00 47.80 C ATOM 0 H LEU A 61 19.988 18.675 57.613 1.00 50.17 H new ATOM 0 HA LEU A 61 20.783 21.242 58.112 1.00 49.44 H new ATOM 0 HB2 LEU A 61 18.527 19.950 59.167 1.00 48.32 H new ATOM 0 HB3 LEU A 61 18.810 21.483 59.212 1.00 48.32 H new ATOM 0 HG LEU A 61 18.334 20.111 56.770 1.00 47.27 H new ATOM 0 HD11 LEU A 61 16.187 21.020 56.770 1.00 46.90 H new ATOM 0 HD12 LEU A 61 16.379 20.076 58.027 1.00 46.90 H new ATOM 0 HD13 LEU A 61 16.451 21.648 58.199 1.00 46.90 H new ATOM 0 HD21 LEU A 61 18.130 22.245 55.824 1.00 47.80 H new ATOM 0 HD22 LEU A 61 18.449 22.899 57.231 1.00 47.80 H new ATOM 0 HD23 LEU A 61 19.566 22.073 56.470 1.00 47.80 H new ATOM 457 N GLU A 62 21.591 18.748 59.702 1.00 49.89 N ATOM 458 CA GLU A 62 22.299 18.089 60.801 1.00 50.45 C ATOM 459 C GLU A 62 21.416 17.289 61.747 1.00 50.87 C ATOM 460 O GLU A 62 20.811 17.894 62.655 1.00 51.77 O ATOM 461 CB GLU A 62 23.142 19.095 61.584 1.00 49.60 C ATOM 462 CG GLU A 62 24.478 19.348 60.921 1.00 49.75 C ATOM 463 CD GLU A 62 25.166 20.586 61.439 1.00 51.18 C ATOM 464 OE1 GLU A 62 25.457 20.653 62.655 1.00 50.13 O ATOM 465 OE2 GLU A 62 25.413 21.492 60.616 1.00 51.76 O ATOM 0 H GLU A 62 21.531 18.253 59.001 1.00 49.89 H new ATOM 0 HA GLU A 62 22.873 17.436 60.371 1.00 50.45 H new ATOM 0 HB2 GLU A 62 22.657 19.931 61.663 1.00 49.60 H new ATOM 0 HB3 GLU A 62 23.286 18.765 62.485 1.00 49.60 H new ATOM 0 HG2 GLU A 62 25.054 18.581 61.062 1.00 49.75 H new ATOM 0 HG3 GLU A 62 24.348 19.433 59.964 1.00 49.75 H new TER 466 GLU A 62 ATOM 467 N LYS B 4 25.607 22.012 49.558 1.00 28.16 N ATOM 468 CA LYS B 4 24.352 22.653 49.062 1.00 28.73 C ATOM 469 C LYS B 4 24.215 23.989 49.772 1.00 29.70 C ATOM 470 O LYS B 4 24.723 24.152 50.893 1.00 31.89 O ATOM 471 CB LYS B 4 23.142 21.773 49.363 1.00 26.44 C ATOM 0 HA LYS B 4 24.393 22.775 48.101 1.00 28.73 H new ATOM 472 N PHE B 5 23.539 24.930 49.118 1.00 25.52 N ATOM 473 CA PHE B 5 23.347 26.269 49.655 1.00 27.94 C ATOM 474 C PHE B 5 22.086 26.392 50.493 1.00 28.07 C ATOM 475 O PHE B 5 20.963 26.289 49.986 1.00 27.41 O ATOM 476 CB PHE B 5 23.295 27.281 48.519 1.00 29.58 C ATOM 477 CG PHE B 5 23.266 28.710 48.979 1.00 33.43 C ATOM 478 CD1 PHE B 5 22.076 29.318 49.384 1.00 34.04 C ATOM 479 CD2 PHE B 5 24.444 29.440 49.044 1.00 33.80 C ATOM 480 CE1 PHE B 5 22.071 30.639 49.838 1.00 35.96 C ATOM 481 CE2 PHE B 5 24.449 30.751 49.493 1.00 36.85 C ATOM 482 CZ PHE B 5 23.263 31.355 49.897 1.00 35.08 C ATOM 0 H PHE B 5 23.178 24.807 48.347 1.00 25.52 H new ATOM 0 HA PHE B 5 24.102 26.449 50.236 1.00 27.94 H new ATOM 0 HB2 PHE B 5 24.066 27.151 47.946 1.00 29.58 H new ATOM 0 HB3 PHE B 5 22.508 27.108 47.979 1.00 29.58 H new ATOM 0 HD1 PHE B 5 21.279 28.839 49.351 1.00 34.04 H new ATOM 0 HD2 PHE B 5 25.243 29.043 48.782 1.00 33.80 H new ATOM 0 HE1 PHE B 5 21.273 31.039 50.100 1.00 35.96 H new ATOM 0 HE2 PHE B 5 25.247 31.228 49.524 1.00 36.85 H new ATOM 0 HZ PHE B 5 23.267 32.233 50.205 1.00 35.08 H new ATOM 483 N LEU B 6 22.288 26.642 51.780 1.00 27.13 N ATOM 484 CA LEU B 6 21.189 26.765 52.720 1.00 29.11 C ATOM 485 C LEU B 6 21.572 27.870 53.679 1.00 28.35 C ATOM 486 O LEU B 6 22.660 27.829 54.253 1.00 27.74 O ATOM 487 CB LEU B 6 20.988 25.446 53.502 1.00 30.78 C ATOM 488 CG LEU B 6 20.615 24.236 52.643 1.00 33.58 C ATOM 489 CD1 LEU B 6 20.486 22.975 53.483 1.00 36.03 C ATOM 490 CD2 LEU B 6 19.368 24.564 51.867 1.00 32.39 C ATOM 0 H LEU B 6 23.066 26.745 52.131 1.00 27.13 H new ATOM 0 HA LEU B 6 20.360 26.960 52.256 1.00 29.11 H new ATOM 0 HB2 LEU B 6 21.805 25.244 53.984 1.00 30.78 H new ATOM 0 HB3 LEU B 6 20.293 25.581 54.165 1.00 30.78 H new ATOM 0 HG LEU B 6 21.324 24.046 52.009 1.00 33.58 H new ATOM 0 HD11 LEU B 6 20.249 22.228 52.911 1.00 36.03 H new ATOM 0 HD12 LEU B 6 21.331 22.791 53.922 1.00 36.03 H new ATOM 0 HD13 LEU B 6 19.795 23.101 54.152 1.00 36.03 H new ATOM 0 HD21 LEU B 6 19.120 23.804 51.317 1.00 32.39 H new ATOM 0 HD22 LEU B 6 18.647 24.766 52.483 1.00 32.39 H new ATOM 0 HD23 LEU B 6 19.533 25.333 51.300 1.00 32.39 H new ATOM 491 N GLU B 7 20.685 28.841 53.868 1.00 26.90 N ATOM 492 CA GLU B 7 20.981 29.936 54.772 1.00 26.10 C ATOM 493 C GLU B 7 19.740 30.344 55.545 1.00 25.89 C ATOM 494 O GLU B 7 18.635 30.435 54.995 1.00 22.96 O ATOM 495 CB GLU B 7 21.552 31.137 54.006 1.00 28.93 C ATOM 496 CG GLU B 7 20.774 31.546 52.754 1.00 31.58 C ATOM 497 CD GLU B 7 21.160 32.947 52.261 1.00 33.28 C ATOM 498 OE1 GLU B 7 22.086 33.555 52.832 1.00 36.30 O ATOM 499 OE2 GLU B 7 20.543 33.443 51.304 1.00 26.46 O ATOM 0 H GLU B 7 19.916 28.882 53.486 1.00 26.90 H new ATOM 0 HA GLU B 7 21.650 29.630 55.404 1.00 26.10 H new ATOM 0 HB2 GLU B 7 21.590 31.897 54.608 1.00 28.93 H new ATOM 0 HB3 GLU B 7 22.465 30.933 53.749 1.00 28.93 H new ATOM 0 HG2 GLU B 7 20.938 30.901 52.049 1.00 31.58 H new ATOM 0 HG3 GLU B 7 19.823 31.523 52.945 1.00 31.58 H new ATOM 500 N ILE B 8 19.931 30.543 56.842 1.00 22.88 N ATOM 501 CA ILE B 8 18.851 30.950 57.719 1.00 22.36 C ATOM 502 C ILE B 8 18.494 32.380 57.336 1.00 19.57 C ATOM 503 O ILE B 8 19.375 33.207 57.107 1.00 18.21 O ATOM 504 CB ILE B 8 19.305 30.895 59.189 1.00 24.30 C ATOM 505 CG1 ILE B 8 19.704 29.458 59.551 1.00 28.25 C ATOM 506 CG2 ILE B 8 18.187 31.375 60.096 1.00 25.59 C ATOM 507 CD1 ILE B 8 20.395 29.310 60.906 1.00 31.63 C ATOM 0 H ILE B 8 20.690 30.446 57.235 1.00 22.88 H new ATOM 0 HA ILE B 8 18.087 30.360 57.626 1.00 22.36 H new ATOM 0 HB ILE B 8 20.072 31.476 59.310 1.00 24.30 H new ATOM 0 HG12 ILE B 8 18.908 28.903 59.545 1.00 28.25 H new ATOM 0 HG13 ILE B 8 20.294 29.116 58.861 1.00 28.25 H new ATOM 0 HG21 ILE B 8 18.481 31.337 61.020 1.00 25.59 H new ATOM 0 HG22 ILE B 8 17.955 32.289 59.868 1.00 25.59 H new ATOM 0 HG23 ILE B 8 17.410 30.806 59.981 1.00 25.59 H new ATOM 0 HD11 ILE B 8 20.613 28.377 61.058 1.00 31.63 H new ATOM 0 HD12 ILE B 8 21.209 29.837 60.914 1.00 31.63 H new ATOM 0 HD13 ILE B 8 19.802 29.621 61.608 1.00 31.63 H new ATOM 508 N LEU B 9 17.200 32.665 57.258 1.00 18.99 N ATOM 509 CA LEU B 9 16.750 33.995 56.881 1.00 18.43 C ATOM 510 C LEU B 9 16.423 34.895 58.072 1.00 20.22 C ATOM 511 O LEU B 9 15.262 35.100 58.429 1.00 20.59 O ATOM 512 CB LEU B 9 15.554 33.888 55.923 1.00 17.94 C ATOM 513 CG LEU B 9 15.848 33.902 54.408 1.00 23.07 C ATOM 514 CD1 LEU B 9 17.096 33.123 54.072 1.00 20.96 C ATOM 515 CD2 LEU B 9 14.639 33.342 53.645 1.00 19.00 C ATOM 0 H LEU B 9 16.569 32.103 57.419 1.00 18.99 H new ATOM 0 HA LEU B 9 17.493 34.425 56.430 1.00 18.43 H new ATOM 0 HB2 LEU B 9 15.080 33.067 56.128 1.00 17.94 H new ATOM 0 HB3 LEU B 9 14.949 34.621 56.117 1.00 17.94 H new ATOM 0 HG LEU B 9 16.004 34.820 54.138 1.00 23.07 H new ATOM 0 HD11 LEU B 9 17.249 33.154 53.115 1.00 20.96 H new ATOM 0 HD12 LEU B 9 17.855 33.513 54.533 1.00 20.96 H new ATOM 0 HD13 LEU B 9 16.987 32.201 54.352 1.00 20.96 H new ATOM 0 HD21 LEU B 9 14.824 33.351 52.693 1.00 19.00 H new ATOM 0 HD22 LEU B 9 14.468 32.431 53.932 1.00 19.00 H new ATOM 0 HD23 LEU B 9 13.859 33.889 53.827 1.00 19.00 H new ATOM 516 N VAL B 10 17.475 35.414 58.691 1.00 19.12 N ATOM 517 CA VAL B 10 17.338 36.333 59.810 1.00 20.53 C ATOM 518 C VAL B 10 18.306 37.475 59.547 1.00 18.30 C ATOM 519 O VAL B 10 19.279 37.318 58.806 1.00 18.38 O ATOM 520 CB VAL B 10 17.690 35.666 61.170 1.00 21.69 C ATOM 521 CG1 VAL B 10 16.689 34.578 61.480 1.00 20.06 C ATOM 522 CG2 VAL B 10 19.100 35.107 61.134 1.00 21.56 C ATOM 0 H VAL B 10 18.289 35.243 58.473 1.00 19.12 H new ATOM 0 HA VAL B 10 16.417 36.631 59.875 1.00 20.53 H new ATOM 0 HB VAL B 10 17.649 36.334 61.872 1.00 21.69 H new ATOM 0 HG11 VAL B 10 16.912 34.165 62.329 1.00 20.06 H new ATOM 0 HG12 VAL B 10 15.800 34.962 61.532 1.00 20.06 H new ATOM 0 HG13 VAL B 10 16.712 33.908 60.779 1.00 20.06 H new ATOM 0 HG21 VAL B 10 19.307 34.694 61.987 1.00 21.56 H new ATOM 0 HG22 VAL B 10 19.167 34.443 60.430 1.00 21.56 H new ATOM 0 HG23 VAL B 10 19.729 35.825 60.962 1.00 21.56 H new ATOM 523 N CYS B 11 18.031 38.632 60.132 1.00 19.90 N ATOM 524 CA CYS B 11 18.905 39.781 59.951 1.00 19.77 C ATOM 525 C CYS B 11 20.255 39.448 60.566 1.00 21.45 C ATOM 526 O CYS B 11 20.330 38.994 61.706 1.00 20.28 O ATOM 527 CB CYS B 11 18.316 41.020 60.629 1.00 19.03 C ATOM 528 SG CYS B 11 19.399 42.434 60.471 1.00 21.27 S ATOM 0 H CYS B 11 17.348 38.773 60.635 1.00 19.90 H new ATOM 0 HA CYS B 11 19.000 39.975 59.005 1.00 19.77 H new ATOM 0 HB2 CYS B 11 17.454 41.226 60.235 1.00 19.03 H new ATOM 0 HB3 CYS B 11 18.161 40.833 61.568 1.00 19.03 H new ATOM 529 N PRO B 12 21.347 39.656 59.816 1.00 23.40 N ATOM 530 CA PRO B 12 22.666 39.341 60.373 1.00 26.48 C ATOM 531 C PRO B 12 23.086 40.244 61.525 1.00 28.82 C ATOM 532 O PRO B 12 23.990 39.908 62.294 1.00 29.62 O ATOM 533 CB PRO B 12 23.593 39.478 59.167 1.00 28.40 C ATOM 534 CG PRO B 12 22.899 40.508 58.324 1.00 26.51 C ATOM 535 CD PRO B 12 21.457 40.096 58.415 1.00 23.39 C ATOM 0 HA PRO B 12 22.683 38.460 60.778 1.00 26.48 H new ATOM 0 HB2 PRO B 12 24.482 39.767 59.428 1.00 28.40 H new ATOM 0 HB3 PRO B 12 23.695 38.637 58.695 1.00 28.40 H new ATOM 0 HG2 PRO B 12 23.039 41.405 58.664 1.00 26.51 H new ATOM 0 HG3 PRO B 12 23.219 40.499 57.408 1.00 26.51 H new ATOM 0 HD2 PRO B 12 20.857 40.832 58.218 1.00 23.39 H new ATOM 0 HD3 PRO B 12 21.244 39.382 57.793 1.00 23.39 H new ATOM 536 N LEU B 13 22.426 41.387 61.640 1.00 29.04 N ATOM 537 CA LEU B 13 22.729 42.345 62.689 1.00 31.66 C ATOM 538 C LEU B 13 22.068 42.017 64.021 1.00 30.15 C ATOM 539 O LEU B 13 22.753 41.803 65.020 1.00 31.93 O ATOM 540 CB LEU B 13 22.259 43.718 62.275 1.00 34.80 C ATOM 541 CG LEU B 13 23.109 44.445 61.244 1.00 37.86 C ATOM 542 CD1 LEU B 13 22.481 45.773 60.889 1.00 40.76 C ATOM 543 CD2 LEU B 13 24.495 44.678 61.813 1.00 41.94 C ATOM 0 H LEU B 13 21.791 41.628 61.113 1.00 29.04 H new ATOM 0 HA LEU B 13 23.691 42.310 62.812 1.00 31.66 H new ATOM 0 HB2 LEU B 13 21.359 43.637 61.923 1.00 34.80 H new ATOM 0 HB3 LEU B 13 22.205 44.272 63.069 1.00 34.80 H new ATOM 0 HG LEU B 13 23.168 43.902 60.443 1.00 37.86 H new ATOM 0 HD11 LEU B 13 23.032 46.226 60.232 1.00 40.76 H new ATOM 0 HD12 LEU B 13 21.596 45.625 60.521 1.00 40.76 H new ATOM 0 HD13 LEU B 13 22.412 46.322 61.686 1.00 40.76 H new ATOM 0 HD21 LEU B 13 25.040 45.142 61.158 1.00 41.94 H new ATOM 0 HD22 LEU B 13 24.429 45.216 62.617 1.00 41.94 H new ATOM 0 HD23 LEU B 13 24.904 43.825 62.028 1.00 41.94 H new ATOM 544 N CYS B 14 20.734 42.021 64.027 1.00 27.87 N ATOM 545 CA CYS B 14 19.923 41.742 65.215 1.00 24.76 C ATOM 546 C CYS B 14 19.452 40.289 65.305 1.00 24.29 C ATOM 547 O CYS B 14 18.888 39.886 66.318 1.00 23.91 O ATOM 548 CB CYS B 14 18.694 42.649 65.214 1.00 26.04 C ATOM 549 SG CYS B 14 17.566 42.307 63.845 1.00 21.11 S ATOM 0 H CYS B 14 20.265 42.189 63.326 1.00 27.87 H new ATOM 0 HA CYS B 14 20.493 41.911 65.982 1.00 24.76 H new ATOM 0 HB2 CYS B 14 18.219 42.542 66.053 1.00 26.04 H new ATOM 0 HB3 CYS B 14 18.981 43.574 65.167 1.00 26.04 H new ATOM 550 N LYS B 15 19.649 39.517 64.238 1.00 23.12 N ATOM 551 CA LYS B 15 19.228 38.113 64.219 1.00 22.50 C ATOM 552 C LYS B 15 17.706 37.997 64.201 1.00 21.90 C ATOM 553 O LYS B 15 17.137 36.932 64.461 1.00 21.79 O ATOM 554 CB LYS B 15 19.800 37.368 65.438 1.00 24.19 C ATOM 555 CG LYS B 15 21.308 37.560 65.623 1.00 25.20 C ATOM 556 CD LYS B 15 22.107 36.974 64.460 1.00 31.39 C ATOM 557 CE LYS B 15 23.496 37.610 64.338 1.00 33.71 C ATOM 558 NZ LYS B 15 24.242 37.655 65.631 1.00 37.21 N ATOM 0 H LYS B 15 20.025 39.786 63.513 1.00 23.12 H new ATOM 0 HA LYS B 15 19.573 37.707 63.409 1.00 22.50 H new ATOM 0 HB2 LYS B 15 19.343 37.672 66.237 1.00 24.19 H new ATOM 0 HB3 LYS B 15 19.611 36.421 65.346 1.00 24.19 H new ATOM 0 HG2 LYS B 15 21.505 38.506 65.705 1.00 25.20 H new ATOM 0 HG3 LYS B 15 21.588 37.139 66.451 1.00 25.20 H new ATOM 0 HD2 LYS B 15 22.201 36.016 64.583 1.00 31.39 H new ATOM 0 HD3 LYS B 15 21.618 37.107 63.633 1.00 31.39 H new ATOM 0 HE2 LYS B 15 24.017 37.112 63.689 1.00 33.71 H new ATOM 0 HE3 LYS B 15 23.402 38.512 63.994 1.00 33.71 H new ATOM 0 HZ1 LYS B 15 25.085 37.896 65.479 1.00 37.21 H new ATOM 0 HZ2 LYS B 15 23.858 38.246 66.175 1.00 37.21 H new ATOM 0 HZ3 LYS B 15 24.228 36.850 66.010 1.00 37.21 H new ATOM 559 N GLY B 16 17.046 39.100 63.865 1.00 20.43 N ATOM 560 CA GLY B 16 15.596 39.108 63.822 1.00 20.28 C ATOM 561 C GLY B 16 15.012 38.627 62.501 1.00 19.79 C ATOM 562 O GLY B 16 15.696 38.610 61.480 1.00 16.64 O ATOM 0 H GLY B 16 17.419 39.847 63.660 1.00 20.43 H new ATOM 0 HA2 GLY B 16 15.258 38.547 64.538 1.00 20.28 H new ATOM 0 HA3 GLY B 16 15.282 40.009 63.995 1.00 20.28 H new ATOM 563 N PRO B 17 13.732 38.232 62.495 1.00 21.01 N ATOM 564 CA PRO B 17 13.079 37.753 61.277 1.00 20.71 C ATOM 565 C PRO B 17 12.997 38.841 60.194 1.00 18.80 C ATOM 566 O PRO B 17 13.124 40.031 60.473 1.00 18.62 O ATOM 567 CB PRO B 17 11.710 37.315 61.782 1.00 21.75 C ATOM 568 CG PRO B 17 11.438 38.306 62.852 1.00 24.87 C ATOM 569 CD PRO B 17 12.759 38.344 63.594 1.00 23.06 C ATOM 0 HA PRO B 17 13.563 37.037 60.837 1.00 20.71 H new ATOM 0 HB2 PRO B 17 11.039 37.345 61.082 1.00 21.75 H new ATOM 0 HB3 PRO B 17 11.723 36.407 62.124 1.00 21.75 H new ATOM 0 HG2 PRO B 17 11.200 39.174 62.490 1.00 24.87 H new ATOM 0 HG3 PRO B 17 10.707 38.028 63.426 1.00 24.87 H new ATOM 0 HD2 PRO B 17 12.870 39.167 64.095 1.00 23.06 H new ATOM 0 HD3 PRO B 17 12.841 37.614 64.227 1.00 23.06 H new ATOM 570 N LEU B 18 12.779 38.419 58.957 1.00 18.22 N ATOM 571 CA LEU B 18 12.705 39.355 57.847 1.00 16.45 C ATOM 572 C LEU B 18 11.340 39.350 57.177 1.00 15.09 C ATOM 573 O LEU B 18 10.605 38.361 57.227 1.00 16.78 O ATOM 574 CB LEU B 18 13.783 39.012 56.820 1.00 14.82 C ATOM 575 CG LEU B 18 15.212 39.116 57.356 1.00 15.83 C ATOM 576 CD1 LEU B 18 16.175 38.349 56.482 1.00 19.41 C ATOM 577 CD2 LEU B 18 15.596 40.576 57.432 1.00 17.41 C ATOM 0 H LEU B 18 12.671 37.594 58.739 1.00 18.22 H new ATOM 0 HA LEU B 18 12.849 40.245 58.204 1.00 16.45 H new ATOM 0 HB2 LEU B 18 13.634 38.109 56.498 1.00 14.82 H new ATOM 0 HB3 LEU B 18 13.690 39.604 56.058 1.00 14.82 H new ATOM 0 HG LEU B 18 15.255 38.723 58.242 1.00 15.83 H new ATOM 0 HD11 LEU B 18 17.073 38.429 56.841 1.00 19.41 H new ATOM 0 HD12 LEU B 18 15.918 37.414 56.461 1.00 19.41 H new ATOM 0 HD13 LEU B 18 16.154 38.710 55.582 1.00 19.41 H new ATOM 0 HD21 LEU B 18 16.501 40.655 57.771 1.00 17.41 H new ATOM 0 HD22 LEU B 18 15.547 40.970 56.547 1.00 17.41 H new ATOM 0 HD23 LEU B 18 14.987 41.041 58.027 1.00 17.41 H new ATOM 578 N VAL B 19 11.019 40.473 56.552 1.00 13.34 N ATOM 579 CA VAL B 19 9.762 40.645 55.847 1.00 13.75 C ATOM 580 C VAL B 19 10.047 40.661 54.350 1.00 15.81 C ATOM 581 O VAL B 19 10.860 41.453 53.870 1.00 14.53 O ATOM 582 CB VAL B 19 9.088 41.971 56.255 1.00 17.22 C ATOM 583 CG1 VAL B 19 7.828 42.200 55.432 1.00 14.77 C ATOM 584 CG2 VAL B 19 8.757 41.939 57.736 1.00 17.57 C ATOM 0 H VAL B 19 11.531 41.163 56.526 1.00 13.34 H new ATOM 0 HA VAL B 19 9.164 39.915 56.072 1.00 13.75 H new ATOM 0 HB VAL B 19 9.699 42.704 56.084 1.00 17.22 H new ATOM 0 HG11 VAL B 19 7.415 43.036 55.698 1.00 14.77 H new ATOM 0 HG12 VAL B 19 8.059 42.239 54.491 1.00 14.77 H new ATOM 0 HG13 VAL B 19 7.206 41.471 55.582 1.00 14.77 H new ATOM 0 HG21 VAL B 19 8.333 42.773 57.991 1.00 17.57 H new ATOM 0 HG22 VAL B 19 8.153 41.202 57.917 1.00 17.57 H new ATOM 0 HG23 VAL B 19 9.573 41.821 58.248 1.00 17.57 H new ATOM 585 N PHE B 20 9.398 39.764 53.623 1.00 14.64 N ATOM 586 CA PHE B 20 9.583 39.689 52.184 1.00 16.01 C ATOM 587 C PHE B 20 8.750 40.777 51.503 1.00 15.58 C ATOM 588 O PHE B 20 7.537 40.852 51.700 1.00 16.72 O ATOM 589 CB PHE B 20 9.163 38.305 51.681 1.00 15.55 C ATOM 590 CG PHE B 20 9.117 38.183 50.190 1.00 21.73 C ATOM 591 CD1 PHE B 20 10.246 38.444 49.421 1.00 22.75 C ATOM 592 CD2 PHE B 20 7.944 37.790 49.549 1.00 21.59 C ATOM 593 CE1 PHE B 20 10.209 38.314 48.031 1.00 24.70 C ATOM 594 CE2 PHE B 20 7.897 37.658 48.161 1.00 25.69 C ATOM 595 CZ PHE B 20 9.030 37.920 47.402 1.00 24.28 C ATOM 0 H PHE B 20 8.845 39.189 53.944 1.00 14.64 H new ATOM 0 HA PHE B 20 10.519 39.829 51.969 1.00 16.01 H new ATOM 0 HB2 PHE B 20 9.780 37.644 52.031 1.00 15.55 H new ATOM 0 HB3 PHE B 20 8.287 38.093 52.040 1.00 15.55 H new ATOM 0 HD1 PHE B 20 11.035 38.708 49.837 1.00 22.75 H new ATOM 0 HD2 PHE B 20 7.183 37.613 50.053 1.00 21.59 H new ATOM 0 HE1 PHE B 20 10.970 38.490 47.526 1.00 24.70 H new ATOM 0 HE2 PHE B 20 7.108 37.395 47.745 1.00 25.69 H new ATOM 0 HZ PHE B 20 9.002 37.833 46.477 1.00 24.28 H new ATOM 596 N ASP B 21 9.423 41.622 50.730 1.00 16.75 N ATOM 597 CA ASP B 21 8.791 42.715 49.985 1.00 19.14 C ATOM 598 C ASP B 21 8.792 42.274 48.536 1.00 18.60 C ATOM 599 O ASP B 21 9.821 42.338 47.853 1.00 19.14 O ATOM 600 CB ASP B 21 9.603 44.009 50.121 1.00 19.86 C ATOM 601 CG ASP B 21 8.973 45.180 49.381 1.00 23.13 C ATOM 602 OD1 ASP B 21 8.236 44.946 48.401 1.00 24.59 O ATOM 603 OD2 ASP B 21 9.231 46.339 49.771 1.00 25.39 O ATOM 0 H ASP B 21 10.275 41.579 50.619 1.00 16.75 H new ATOM 0 HA ASP B 21 7.898 42.894 50.319 1.00 19.14 H new ATOM 0 HB2 ASP B 21 9.690 44.234 51.060 1.00 19.86 H new ATOM 0 HB3 ASP B 21 10.499 43.861 49.781 1.00 19.86 H new ATOM 604 N LYS B 22 7.637 41.819 48.069 1.00 19.35 N ATOM 605 CA LYS B 22 7.502 41.334 46.707 1.00 22.11 C ATOM 606 C LYS B 22 7.730 42.378 45.612 1.00 20.83 C ATOM 607 O LYS B 22 8.362 42.077 44.605 1.00 20.62 O ATOM 608 CB LYS B 22 6.129 40.687 46.538 1.00 24.98 C ATOM 609 CG LYS B 22 5.829 40.193 45.137 1.00 31.54 C ATOM 610 CD LYS B 22 4.519 39.416 45.123 1.00 35.33 C ATOM 611 CE LYS B 22 3.998 39.216 43.714 1.00 37.13 C ATOM 612 NZ LYS B 22 3.550 40.507 43.121 1.00 40.07 N ATOM 0 H LYS B 22 6.913 41.783 48.532 1.00 19.35 H new ATOM 0 HA LYS B 22 8.217 40.689 46.586 1.00 22.11 H new ATOM 0 HB2 LYS B 22 6.059 39.940 47.153 1.00 24.98 H new ATOM 0 HB3 LYS B 22 5.449 41.329 46.794 1.00 24.98 H new ATOM 0 HG2 LYS B 22 5.773 40.945 44.527 1.00 31.54 H new ATOM 0 HG3 LYS B 22 6.552 39.627 44.825 1.00 31.54 H new ATOM 0 HD2 LYS B 22 4.651 38.552 45.545 1.00 35.33 H new ATOM 0 HD3 LYS B 22 3.856 39.890 45.649 1.00 35.33 H new ATOM 0 HE2 LYS B 22 4.693 38.826 43.161 1.00 37.13 H new ATOM 0 HE3 LYS B 22 3.259 38.588 43.725 1.00 37.13 H new ATOM 0 HZ1 LYS B 22 2.998 40.346 42.442 1.00 40.07 H new ATOM 0 HZ2 LYS B 22 3.127 40.987 43.740 1.00 40.07 H new ATOM 0 HZ3 LYS B 22 4.257 40.960 42.827 1.00 40.07 H new ATOM 613 N SER B 23 7.232 43.594 45.812 1.00 21.95 N ATOM 614 CA SER B 23 7.381 44.653 44.811 1.00 24.27 C ATOM 615 C SER B 23 8.835 45.037 44.518 1.00 26.62 C ATOM 616 O SER B 23 9.196 45.329 43.375 1.00 23.08 O ATOM 617 CB SER B 23 6.592 45.896 45.233 1.00 26.99 C ATOM 618 OG SER B 23 7.043 46.407 46.477 1.00 31.39 O ATOM 0 H SER B 23 6.804 43.829 46.520 1.00 21.95 H new ATOM 0 HA SER B 23 7.024 44.288 43.986 1.00 24.27 H new ATOM 0 HB2 SER B 23 6.678 46.581 44.551 1.00 26.99 H new ATOM 0 HB3 SER B 23 5.650 45.675 45.296 1.00 26.99 H new ATOM 0 HG SER B 23 7.444 45.802 46.900 1.00 31.39 H new ATOM 619 N LYS B 24 9.679 45.032 45.542 1.00 26.43 N ATOM 620 CA LYS B 24 11.078 45.381 45.338 1.00 27.55 C ATOM 621 C LYS B 24 11.969 44.153 45.319 1.00 26.16 C ATOM 622 O LYS B 24 13.148 44.231 44.954 1.00 26.42 O ATOM 623 CB LYS B 24 11.556 46.329 46.429 1.00 29.34 C ATOM 624 CG LYS B 24 10.957 47.714 46.337 1.00 33.22 C ATOM 625 CD LYS B 24 12.059 48.776 46.467 1.00 36.96 C ATOM 626 CE LYS B 24 11.477 50.178 46.431 1.00 38.12 C ATOM 627 NZ LYS B 24 12.190 51.026 47.404 1.00 40.23 N ATOM 0 H LYS B 24 9.466 44.833 46.351 1.00 26.43 H new ATOM 0 HA LYS B 24 11.139 45.817 44.474 1.00 27.55 H new ATOM 0 HB2 LYS B 24 11.339 45.949 47.295 1.00 29.34 H new ATOM 0 HB3 LYS B 24 12.522 46.400 46.384 1.00 29.34 H new ATOM 0 HG2 LYS B 24 10.495 47.819 45.490 1.00 33.22 H new ATOM 0 HG3 LYS B 24 10.297 47.836 47.037 1.00 33.22 H new ATOM 0 HD2 LYS B 24 12.542 48.645 47.298 1.00 36.96 H new ATOM 0 HD3 LYS B 24 12.700 48.671 45.747 1.00 36.96 H new ATOM 0 HE2 LYS B 24 11.560 50.551 45.539 1.00 38.12 H new ATOM 0 HE3 LYS B 24 10.530 50.152 46.641 1.00 38.12 H new ATOM 0 HZ1 LYS B 24 11.999 51.881 47.248 1.00 40.23 H new ATOM 0 HZ2 LYS B 24 11.935 50.811 48.229 1.00 40.23 H new ATOM 0 HZ3 LYS B 24 13.067 50.898 47.323 1.00 40.23 H new ATOM 628 N ASP B 25 11.395 43.025 45.731 1.00 25.77 N ATOM 629 CA ASP B 25 12.105 41.757 45.774 1.00 26.24 C ATOM 630 C ASP B 25 13.280 41.819 46.753 1.00 22.95 C ATOM 631 O ASP B 25 14.412 41.507 46.394 1.00 20.75 O ATOM 632 CB ASP B 25 12.604 41.403 44.374 1.00 32.52 C ATOM 633 CG ASP B 25 12.553 39.918 44.099 1.00 37.92 C ATOM 634 OD1 ASP B 25 12.947 39.132 44.986 1.00 39.73 O ATOM 635 OD2 ASP B 25 12.120 39.538 42.989 1.00 43.11 O ATOM 0 H ASP B 25 10.578 42.977 45.994 1.00 25.77 H new ATOM 0 HA ASP B 25 11.494 41.070 46.083 1.00 26.24 H new ATOM 0 HB2 ASP B 25 12.067 41.869 43.715 1.00 32.52 H new ATOM 0 HB3 ASP B 25 13.516 41.717 44.270 1.00 32.52 H new ATOM 636 N GLU B 26 12.999 42.223 47.989 1.00 21.62 N ATOM 637 CA GLU B 26 14.025 42.333 49.022 1.00 19.72 C ATOM 638 C GLU B 26 13.495 41.790 50.346 1.00 19.99 C ATOM 639 O GLU B 26 12.285 41.628 50.513 1.00 18.25 O ATOM 640 CB GLU B 26 14.426 43.802 49.230 1.00 20.85 C ATOM 641 CG GLU B 26 14.877 44.541 47.970 1.00 21.96 C ATOM 642 CD GLU B 26 15.191 46.001 48.234 1.00 21.72 C ATOM 643 OE1 GLU B 26 14.350 46.678 48.856 1.00 20.66 O ATOM 644 OE2 GLU B 26 16.276 46.476 47.819 1.00 24.01 O ATOM 0 H GLU B 26 12.210 42.441 48.252 1.00 21.62 H new ATOM 0 HA GLU B 26 14.796 41.820 48.733 1.00 19.72 H new ATOM 0 HB2 GLU B 26 13.672 44.277 49.613 1.00 20.85 H new ATOM 0 HB3 GLU B 26 15.144 43.837 49.882 1.00 20.85 H new ATOM 0 HG2 GLU B 26 15.664 44.105 47.607 1.00 21.96 H new ATOM 0 HG3 GLU B 26 14.182 44.479 47.296 1.00 21.96 H new ATOM 645 N LEU B 27 14.414 41.508 51.270 1.00 17.45 N ATOM 646 CA LEU B 27 14.067 41.028 52.608 1.00 17.06 C ATOM 647 C LEU B 27 14.394 42.181 53.549 1.00 15.92 C ATOM 648 O LEU B 27 15.525 42.669 53.597 1.00 17.41 O ATOM 649 CB LEU B 27 14.870 39.774 52.960 1.00 15.63 C ATOM 650 CG LEU B 27 14.614 38.577 52.037 1.00 15.68 C ATOM 651 CD1 LEU B 27 15.245 37.325 52.637 1.00 15.67 C ATOM 652 CD2 LEU B 27 13.107 38.368 51.847 1.00 16.93 C ATOM 0 H LEU B 27 15.260 41.590 51.137 1.00 17.45 H new ATOM 0 HA LEU B 27 13.133 40.774 52.672 1.00 17.06 H new ATOM 0 HB2 LEU B 27 15.815 39.991 52.935 1.00 15.63 H new ATOM 0 HB3 LEU B 27 14.662 39.516 53.872 1.00 15.63 H new ATOM 0 HG LEU B 27 15.014 38.752 51.171 1.00 15.68 H new ATOM 0 HD11 LEU B 27 15.082 36.568 52.052 1.00 15.67 H new ATOM 0 HD12 LEU B 27 16.201 37.459 52.734 1.00 15.67 H new ATOM 0 HD13 LEU B 27 14.854 37.150 53.507 1.00 15.67 H new ATOM 0 HD21 LEU B 27 12.957 37.609 51.262 1.00 16.93 H new ATOM 0 HD22 LEU B 27 12.692 38.200 52.708 1.00 16.93 H new ATOM 0 HD23 LEU B 27 12.717 39.163 51.451 1.00 16.93 H new ATOM 653 N ILE B 28 13.391 42.618 54.297 1.00 15.53 N ATOM 654 CA ILE B 28 13.534 43.768 55.170 1.00 16.01 C ATOM 655 C ILE B 28 13.560 43.495 56.656 1.00 15.77 C ATOM 656 O ILE B 28 12.773 42.692 57.158 1.00 14.56 O ATOM 657 CB ILE B 28 12.369 44.752 54.930 1.00 19.35 C ATOM 658 CG1 ILE B 28 12.315 45.143 53.455 1.00 20.62 C ATOM 659 CG2 ILE B 28 12.511 45.980 55.829 1.00 18.39 C ATOM 660 CD1 ILE B 28 11.009 45.819 53.074 1.00 22.73 C ATOM 0 H ILE B 28 12.611 42.256 54.312 1.00 15.53 H new ATOM 0 HA ILE B 28 14.407 44.119 54.934 1.00 16.01 H new ATOM 0 HB ILE B 28 11.533 44.317 55.159 1.00 19.35 H new ATOM 0 HG12 ILE B 28 13.054 45.739 53.255 1.00 20.62 H new ATOM 0 HG13 ILE B 28 12.435 44.350 52.910 1.00 20.62 H new ATOM 0 HG21 ILE B 28 11.773 46.588 55.666 1.00 18.39 H new ATOM 0 HG22 ILE B 28 12.503 45.703 56.759 1.00 18.39 H new ATOM 0 HG23 ILE B 28 13.348 46.430 55.633 1.00 18.39 H new ATOM 0 HD11 ILE B 28 11.025 46.046 52.131 1.00 22.73 H new ATOM 0 HD12 ILE B 28 10.269 45.216 53.248 1.00 22.73 H new ATOM 0 HD13 ILE B 28 10.897 46.627 53.599 1.00 22.73 H new ATOM 661 N CYS B 29 14.467 44.174 57.356 1.00 15.93 N ATOM 662 CA CYS B 29 14.512 44.070 58.803 1.00 18.17 C ATOM 663 C CYS B 29 13.915 45.387 59.294 1.00 19.31 C ATOM 664 O CYS B 29 14.530 46.442 59.147 1.00 20.45 O ATOM 665 CB CYS B 29 15.936 43.953 59.348 1.00 17.67 C ATOM 666 SG CYS B 29 15.928 44.136 61.161 1.00 20.61 S ATOM 0 H CYS B 29 15.058 44.695 57.012 1.00 15.93 H new ATOM 0 HA CYS B 29 14.040 43.276 59.099 1.00 18.17 H new ATOM 0 HB2 CYS B 29 16.314 43.094 59.104 1.00 17.67 H new ATOM 0 HB3 CYS B 29 16.500 44.634 58.949 1.00 17.67 H new ATOM 667 N LYS B 30 12.713 45.327 59.854 1.00 21.94 N ATOM 668 CA LYS B 30 12.055 46.527 60.349 1.00 24.86 C ATOM 669 C LYS B 30 12.888 47.211 61.421 1.00 24.68 C ATOM 670 O LYS B 30 13.131 48.417 61.352 1.00 22.55 O ATOM 671 CB LYS B 30 10.669 46.186 60.912 1.00 26.54 C ATOM 672 CG LYS B 30 9.684 45.680 59.866 1.00 32.14 C ATOM 673 CD LYS B 30 8.320 45.369 60.479 1.00 36.57 C ATOM 674 CE LYS B 30 7.343 44.853 59.426 1.00 37.59 C ATOM 675 NZ LYS B 30 6.011 44.509 60.001 1.00 38.26 N ATOM 0 H LYS B 30 12.262 44.602 59.957 1.00 21.94 H new ATOM 0 HA LYS B 30 11.956 47.137 59.601 1.00 24.86 H new ATOM 0 HB2 LYS B 30 10.767 45.512 61.603 1.00 26.54 H new ATOM 0 HB3 LYS B 30 10.299 46.976 61.336 1.00 26.54 H new ATOM 0 HG2 LYS B 30 9.581 46.346 59.169 1.00 32.14 H new ATOM 0 HG3 LYS B 30 10.040 44.882 59.445 1.00 32.14 H new ATOM 0 HD2 LYS B 30 8.422 44.707 61.181 1.00 36.57 H new ATOM 0 HD3 LYS B 30 7.960 46.168 60.893 1.00 36.57 H new ATOM 0 HE2 LYS B 30 7.230 45.526 58.737 1.00 37.59 H new ATOM 0 HE3 LYS B 30 7.719 44.068 58.997 1.00 37.59 H new ATOM 0 HZ1 LYS B 30 5.594 43.936 59.462 1.00 38.26 H new ATOM 0 HZ2 LYS B 30 6.120 44.136 60.802 1.00 38.26 H new ATOM 0 HZ3 LYS B 30 5.523 45.249 60.083 1.00 38.26 H new ATOM 676 N GLY B 31 13.337 46.431 62.400 1.00 25.26 N ATOM 677 CA GLY B 31 14.131 46.979 63.485 1.00 28.31 C ATOM 678 C GLY B 31 15.322 47.826 63.071 1.00 29.69 C ATOM 679 O GLY B 31 15.502 48.933 63.582 1.00 31.95 O ATOM 0 H GLY B 31 13.192 45.585 62.451 1.00 25.26 H new ATOM 0 HA2 GLY B 31 13.552 47.518 64.047 1.00 28.31 H new ATOM 0 HA3 GLY B 31 14.452 46.244 64.031 1.00 28.31 H new ATOM 680 N ASP B 32 16.140 47.313 62.157 1.00 29.42 N ATOM 681 CA ASP B 32 17.323 48.036 61.695 1.00 30.98 C ATOM 682 C ASP B 32 17.054 48.937 60.496 1.00 30.08 C ATOM 683 O ASP B 32 17.936 49.678 60.068 1.00 30.86 O ATOM 684 CB ASP B 32 18.442 47.056 61.330 1.00 30.83 C ATOM 685 CG ASP B 32 18.934 46.264 62.519 1.00 31.78 C ATOM 686 OD1 ASP B 32 18.848 46.781 63.647 1.00 35.12 O ATOM 687 OD2 ASP B 32 19.431 45.137 62.330 1.00 32.87 O ATOM 0 H ASP B 32 16.028 46.544 61.790 1.00 29.42 H new ATOM 0 HA ASP B 32 17.590 48.603 62.435 1.00 30.98 H new ATOM 0 HB2 ASP B 32 18.122 46.444 60.649 1.00 30.83 H new ATOM 0 HB3 ASP B 32 19.184 47.547 60.944 1.00 30.83 H new ATOM 688 N ARG B 33 15.841 48.870 59.958 1.00 31.44 N ATOM 689 CA ARG B 33 15.469 49.669 58.792 1.00 31.34 C ATOM 690 C ARG B 33 16.397 49.377 57.614 1.00 29.64 C ATOM 691 O ARG B 33 16.785 50.281 56.869 1.00 27.85 O ATOM 692 CB ARG B 33 15.519 51.166 59.118 1.00 35.77 C ATOM 693 CG ARG B 33 14.367 51.682 59.969 1.00 39.22 C ATOM 694 CD ARG B 33 14.463 51.246 61.424 1.00 45.17 C ATOM 695 NE ARG B 33 13.401 51.857 62.224 1.00 49.13 N ATOM 696 CZ ARG B 33 13.263 51.708 63.539 1.00 50.76 C ATOM 697 NH1 ARG B 33 14.121 50.962 64.222 1.00 50.92 N ATOM 698 NH2 ARG B 33 12.263 52.307 64.172 1.00 52.46 N ATOM 0 H ARG B 33 15.213 48.364 60.255 1.00 31.44 H new ATOM 0 HA ARG B 33 14.562 49.427 58.549 1.00 31.34 H new ATOM 0 HB2 ARG B 33 16.352 51.355 59.578 1.00 35.77 H new ATOM 0 HB3 ARG B 33 15.536 51.663 58.285 1.00 35.77 H new ATOM 0 HG2 ARG B 33 14.349 52.651 59.927 1.00 39.22 H new ATOM 0 HG3 ARG B 33 13.529 51.366 59.596 1.00 39.22 H new ATOM 0 HD2 ARG B 33 14.400 50.280 61.481 1.00 45.17 H new ATOM 0 HD3 ARG B 33 15.328 51.496 61.784 1.00 45.17 H new ATOM 0 HE ARG B 33 12.825 52.347 61.815 1.00 49.13 H new ATOM 0 HH11 ARG B 33 14.770 50.572 63.815 1.00 50.92 H new ATOM 0 HH12 ARG B 33 14.028 50.869 65.072 1.00 50.92 H new ATOM 0 HH21 ARG B 33 11.704 52.791 63.732 1.00 52.46 H new ATOM 0 HH22 ARG B 33 12.173 52.211 65.022 1.00 52.46 H new ATOM 699 N LEU B 34 16.747 48.106 57.452 1.00 26.03 N ATOM 700 CA LEU B 34 17.624 47.679 56.370 1.00 23.64 C ATOM 701 C LEU B 34 16.885 46.765 55.400 1.00 22.64 C ATOM 702 O LEU B 34 16.026 45.979 55.800 1.00 20.70 O ATOM 703 CB LEU B 34 18.830 46.920 56.929 1.00 24.39 C ATOM 704 CG LEU B 34 19.789 47.613 57.898 1.00 25.48 C ATOM 705 CD1 LEU B 34 20.722 46.563 58.467 1.00 23.32 C ATOM 706 CD2 LEU B 34 20.589 48.708 57.203 1.00 27.33 C ATOM 0 H LEU B 34 16.483 47.468 57.965 1.00 26.03 H new ATOM 0 HA LEU B 34 17.921 48.475 55.902 1.00 23.64 H new ATOM 0 HB2 LEU B 34 18.491 46.129 57.376 1.00 24.39 H new ATOM 0 HB3 LEU B 34 19.355 46.615 56.172 1.00 24.39 H new ATOM 0 HG LEU B 34 19.280 48.037 58.606 1.00 25.48 H new ATOM 0 HD11 LEU B 34 21.341 46.981 59.086 1.00 23.32 H new ATOM 0 HD12 LEU B 34 20.204 45.889 58.934 1.00 23.32 H new ATOM 0 HD13 LEU B 34 21.219 46.146 57.746 1.00 23.32 H new ATOM 0 HD21 LEU B 34 21.186 49.128 57.842 1.00 27.33 H new ATOM 0 HD22 LEU B 34 21.109 48.321 56.481 1.00 27.33 H new ATOM 0 HD23 LEU B 34 19.982 49.374 56.843 1.00 27.33 H new ATOM 707 N ALA B 35 17.234 46.867 54.124 1.00 19.11 N ATOM 708 CA ALA B 35 16.621 46.034 53.106 1.00 19.95 C ATOM 709 C ALA B 35 17.708 45.265 52.376 1.00 19.61 C ATOM 710 O ALA B 35 18.567 45.861 51.716 1.00 16.31 O ATOM 711 CB ALA B 35 15.828 46.892 52.117 1.00 21.98 C ATOM 0 H ALA B 35 17.827 47.416 53.828 1.00 19.11 H new ATOM 0 HA ALA B 35 16.007 45.412 53.527 1.00 19.95 H new ATOM 0 HB1 ALA B 35 15.425 46.321 51.444 1.00 21.98 H new ATOM 0 HB2 ALA B 35 15.132 47.373 52.591 1.00 21.98 H new ATOM 0 HB3 ALA B 35 16.424 47.526 51.688 1.00 21.98 H new ATOM 712 N PHE B 36 17.670 43.941 52.502 1.00 18.52 N ATOM 713 CA PHE B 36 18.649 43.090 51.842 1.00 17.95 C ATOM 714 C PHE B 36 18.174 42.679 50.458 1.00 17.57 C ATOM 715 O PHE B 36 17.005 42.354 50.256 1.00 17.49 O ATOM 716 CB PHE B 36 18.940 41.850 52.693 1.00 17.41 C ATOM 717 CG PHE B 36 19.504 42.179 54.043 1.00 16.85 C ATOM 718 CD1 PHE B 36 18.671 42.594 55.073 1.00 16.90 C ATOM 719 CD2 PHE B 36 20.876 42.133 54.267 1.00 18.75 C ATOM 720 CE1 PHE B 36 19.191 42.966 56.302 1.00 17.14 C ATOM 721 CE2 PHE B 36 21.411 42.506 55.502 1.00 19.34 C ATOM 722 CZ PHE B 36 20.565 42.921 56.519 1.00 17.80 C ATOM 0 H PHE B 36 17.083 43.517 52.967 1.00 18.52 H new ATOM 0 HA PHE B 36 19.468 43.600 51.741 1.00 17.95 H new ATOM 0 HB2 PHE B 36 18.121 41.343 52.806 1.00 17.41 H new ATOM 0 HB3 PHE B 36 19.564 41.279 52.219 1.00 17.41 H new ATOM 0 HD1 PHE B 36 17.752 42.623 54.936 1.00 16.90 H new ATOM 0 HD2 PHE B 36 21.444 41.851 53.587 1.00 18.75 H new ATOM 0 HE1 PHE B 36 18.622 43.246 56.982 1.00 17.14 H new ATOM 0 HE2 PHE B 36 22.330 42.476 55.641 1.00 19.34 H new ATOM 0 HZ PHE B 36 20.915 43.169 57.344 1.00 17.80 H new ATOM 723 N PRO B 37 19.087 42.684 49.482 1.00 17.82 N ATOM 724 CA PRO B 37 18.753 42.315 48.106 1.00 18.82 C ATOM 725 C PRO B 37 18.690 40.818 47.875 1.00 18.98 C ATOM 726 O PRO B 37 19.273 40.036 48.623 1.00 18.12 O ATOM 727 CB PRO B 37 19.876 42.954 47.309 1.00 19.98 C ATOM 728 CG PRO B 37 21.051 42.730 48.208 1.00 20.21 C ATOM 729 CD PRO B 37 20.498 43.107 49.581 1.00 20.18 C ATOM 0 HA PRO B 37 17.866 42.616 47.854 1.00 18.82 H new ATOM 0 HB2 PRO B 37 19.994 42.533 46.443 1.00 19.98 H new ATOM 0 HB3 PRO B 37 19.716 43.897 47.146 1.00 19.98 H new ATOM 0 HG2 PRO B 37 21.355 41.809 48.182 1.00 20.21 H new ATOM 0 HG3 PRO B 37 21.807 43.285 47.959 1.00 20.21 H new ATOM 0 HD2 PRO B 37 20.964 42.647 50.297 1.00 20.18 H new ATOM 0 HD3 PRO B 37 20.579 44.058 49.755 1.00 20.18 H new ATOM 730 N ILE B 38 17.985 40.438 46.818 1.00 21.38 N ATOM 731 CA ILE B 38 17.861 39.047 46.427 1.00 27.02 C ATOM 732 C ILE B 38 18.411 38.999 45.005 1.00 29.84 C ATOM 733 O ILE B 38 17.799 39.518 44.073 1.00 27.77 O ATOM 734 CB ILE B 38 16.392 38.574 46.425 1.00 25.95 C ATOM 735 CG1 ILE B 38 15.800 38.699 47.833 1.00 28.28 C ATOM 736 CG2 ILE B 38 16.315 37.133 45.935 1.00 26.46 C ATOM 737 CD1 ILE B 38 14.334 38.261 47.945 1.00 26.05 C ATOM 0 H ILE B 38 17.563 40.985 46.306 1.00 21.38 H new ATOM 0 HA ILE B 38 18.333 38.468 47.046 1.00 27.02 H new ATOM 0 HB ILE B 38 15.875 39.133 45.824 1.00 25.95 H new ATOM 0 HG12 ILE B 38 16.333 38.167 48.444 1.00 28.28 H new ATOM 0 HG13 ILE B 38 15.873 39.622 48.122 1.00 28.28 H new ATOM 0 HG21 ILE B 38 15.390 36.840 45.935 1.00 26.46 H new ATOM 0 HG22 ILE B 38 16.671 37.078 45.034 1.00 26.46 H new ATOM 0 HG23 ILE B 38 16.835 36.563 46.523 1.00 26.46 H new ATOM 0 HD11 ILE B 38 14.033 38.369 48.861 1.00 26.05 H new ATOM 0 HD12 ILE B 38 13.787 38.807 47.359 1.00 26.05 H new ATOM 0 HD13 ILE B 38 14.254 37.330 47.686 1.00 26.05 H new ATOM 738 N LYS B 39 19.582 38.393 44.857 1.00 33.58 N ATOM 739 CA LYS B 39 20.239 38.290 43.565 1.00 37.64 C ATOM 740 C LYS B 39 20.005 36.913 42.973 1.00 39.50 C ATOM 741 O LYS B 39 20.473 35.907 43.510 1.00 40.63 O ATOM 742 CB LYS B 39 21.742 38.535 43.723 1.00 38.19 C ATOM 743 CG LYS B 39 22.094 39.862 44.385 1.00 41.10 C ATOM 744 CD LYS B 39 21.733 41.049 43.500 1.00 43.55 C ATOM 745 CE LYS B 39 22.204 42.353 44.121 1.00 43.93 C ATOM 746 NZ LYS B 39 23.662 42.300 44.438 1.00 45.06 N ATOM 0 H LYS B 39 20.017 38.030 45.504 1.00 33.58 H new ATOM 0 HA LYS B 39 19.868 38.960 42.969 1.00 37.64 H new ATOM 0 HB2 LYS B 39 22.124 37.813 44.246 1.00 38.19 H new ATOM 0 HB3 LYS B 39 22.158 38.502 42.848 1.00 38.19 H new ATOM 0 HG2 LYS B 39 21.626 39.935 45.231 1.00 41.10 H new ATOM 0 HG3 LYS B 39 23.043 39.883 44.583 1.00 41.10 H new ATOM 0 HD2 LYS B 39 22.137 40.939 42.625 1.00 43.55 H new ATOM 0 HD3 LYS B 39 20.773 41.078 43.368 1.00 43.55 H new ATOM 0 HE2 LYS B 39 22.029 43.087 43.512 1.00 43.93 H new ATOM 0 HE3 LYS B 39 21.700 42.530 44.931 1.00 43.93 H new ATOM 0 HZ1 LYS B 39 23.978 43.128 44.521 1.00 45.06 H new ATOM 0 HZ2 LYS B 39 23.784 41.858 45.201 1.00 45.06 H new ATOM 0 HZ3 LYS B 39 24.094 41.882 43.781 1.00 45.06 H new ATOM 747 N ASP B 40 19.271 36.874 41.867 1.00 41.94 N ATOM 748 CA ASP B 40 18.975 35.622 41.193 1.00 42.77 C ATOM 749 C ASP B 40 18.353 34.622 42.161 1.00 42.47 C ATOM 750 O ASP B 40 18.754 33.460 42.220 1.00 42.18 O ATOM 751 CB ASP B 40 20.259 35.055 40.581 1.00 46.08 C ATOM 752 CG ASP B 40 20.804 35.928 39.462 1.00 47.87 C ATOM 753 OD1 ASP B 40 21.911 35.641 38.956 1.00 49.73 O ATOM 754 OD2 ASP B 40 20.117 36.901 39.084 1.00 48.91 O ATOM 0 H ASP B 40 18.933 37.569 41.490 1.00 41.94 H new ATOM 0 HA ASP B 40 18.333 35.788 40.485 1.00 42.77 H new ATOM 0 HB2 ASP B 40 20.932 34.965 41.274 1.00 46.08 H new ATOM 0 HB3 ASP B 40 20.085 34.165 40.237 1.00 46.08 H new ATOM 755 N GLY B 41 17.371 35.094 42.924 1.00 40.64 N ATOM 756 CA GLY B 41 16.691 34.237 43.881 1.00 38.29 C ATOM 757 C GLY B 41 17.448 33.959 45.168 1.00 35.45 C ATOM 758 O GLY B 41 16.957 33.230 46.028 1.00 36.64 O ATOM 0 H GLY B 41 17.086 35.905 42.901 1.00 40.64 H new ATOM 0 HA2 GLY B 41 15.840 34.644 44.107 1.00 38.29 H new ATOM 0 HA3 GLY B 41 16.496 33.390 43.450 1.00 38.29 H new ATOM 759 N ILE B 42 18.635 34.533 45.319 1.00 32.81 N ATOM 760 CA ILE B 42 19.416 34.297 46.528 1.00 31.87 C ATOM 761 C ILE B 42 19.500 35.490 47.479 1.00 29.32 C ATOM 762 O ILE B 42 20.086 36.519 47.145 1.00 30.83 O ATOM 763 CB ILE B 42 20.854 33.868 46.185 1.00 32.84 C ATOM 764 CG1 ILE B 42 20.830 32.574 45.366 1.00 35.75 C ATOM 765 CG2 ILE B 42 21.656 33.684 47.466 1.00 32.84 C ATOM 766 CD1 ILE B 42 22.193 32.086 44.947 1.00 37.81 C ATOM 0 H ILE B 42 19.003 35.055 44.743 1.00 32.81 H new ATOM 0 HA ILE B 42 18.933 33.591 46.985 1.00 31.87 H new ATOM 0 HB ILE B 42 21.279 34.559 45.653 1.00 32.84 H new ATOM 0 HG12 ILE B 42 20.395 31.881 45.887 1.00 35.75 H new ATOM 0 HG13 ILE B 42 20.289 32.714 44.573 1.00 35.75 H new ATOM 0 HG21 ILE B 42 22.561 33.414 47.245 1.00 32.84 H new ATOM 0 HG22 ILE B 42 21.679 34.521 47.956 1.00 32.84 H new ATOM 0 HG23 ILE B 42 21.239 33.000 48.013 1.00 32.84 H new ATOM 0 HD11 ILE B 42 22.101 31.267 44.435 1.00 37.81 H new ATOM 0 HD12 ILE B 42 22.625 32.761 44.401 1.00 37.81 H new ATOM 0 HD13 ILE B 42 22.732 31.915 45.735 1.00 37.81 H new ATOM 767 N PRO B 43 18.925 35.360 48.687 1.00 26.92 N ATOM 768 CA PRO B 43 18.965 36.455 49.663 1.00 24.74 C ATOM 769 C PRO B 43 20.412 36.742 50.074 1.00 22.39 C ATOM 770 O PRO B 43 21.116 35.860 50.567 1.00 21.15 O ATOM 771 CB PRO B 43 18.133 35.915 50.827 1.00 24.14 C ATOM 772 CG PRO B 43 17.171 34.959 50.146 1.00 26.89 C ATOM 773 CD PRO B 43 18.073 34.256 49.168 1.00 24.52 C ATOM 0 HA PRO B 43 18.620 37.297 49.327 1.00 24.74 H new ATOM 0 HB2 PRO B 43 18.685 35.462 51.483 1.00 24.14 H new ATOM 0 HB3 PRO B 43 17.664 36.625 51.293 1.00 24.14 H new ATOM 0 HG2 PRO B 43 16.766 34.342 50.775 1.00 26.89 H new ATOM 0 HG3 PRO B 43 16.447 35.427 49.701 1.00 26.89 H new ATOM 0 HD2 PRO B 43 18.592 33.555 49.592 1.00 24.52 H new ATOM 0 HD3 PRO B 43 17.574 33.842 48.447 1.00 24.52 H new HETATM 774 N MSE B 44 20.861 37.973 49.869 1.00 21.24 N HETATM 775 CA MSE B 44 22.230 38.321 50.225 1.00 22.91 C HETATM 776 C MSE B 44 22.245 38.810 51.664 1.00 23.76 C HETATM 777 O MSE B 44 22.196 40.012 51.922 1.00 21.68 O HETATM 778 CB MSE B 44 22.760 39.405 49.284 1.00 26.75 C HETATM 779 CG MSE B 44 22.631 39.054 47.811 1.00 29.87 C HETATM 780 SE MSE B 44 23.670 37.499 47.291 1.00 42.62 SE HETATM 781 CE MSE B 44 25.387 38.383 47.153 1.00 31.44 C HETATM 0 H MSE B 44 20.398 38.613 49.530 1.00 21.24 H new HETATM 0 HA MSE B 44 22.803 37.543 50.139 1.00 22.91 H new HETATM 0 HB2 MSE B 44 22.282 40.232 49.454 1.00 26.75 H new HETATM 0 HB3 MSE B 44 23.694 39.571 49.488 1.00 26.75 H new HETATM 0 HG2 MSE B 44 21.697 38.893 47.605 1.00 29.87 H new HETATM 0 HG3 MSE B 44 22.912 39.815 47.279 1.00 29.87 H new HETATM 0 HE1 MSE B 44 26.063 37.738 46.891 1.00 31.44 H new HETATM 0 HE2 MSE B 44 25.336 39.086 46.487 1.00 31.44 H new HETATM 0 HE3 MSE B 44 25.623 38.768 48.012 1.00 31.44 H new HETATM 782 N MSE B 45 22.317 37.863 52.595 1.00 23.76 N HETATM 783 CA MSE B 45 22.302 38.176 54.018 1.00 26.23 C HETATM 784 C MSE B 45 23.631 38.681 54.584 1.00 24.98 C HETATM 785 O MSE B 45 24.193 38.100 55.514 1.00 25.48 O HETATM 786 CB MSE B 45 21.829 36.960 54.822 1.00 25.71 C HETATM 787 CG MSE B 45 20.396 36.504 54.524 1.00 33.59 C HETATM 788 SE MSE B 45 19.134 37.949 54.196 1.00 41.89 SE HETATM 789 CE MSE B 45 19.342 38.934 55.850 1.00 40.82 C HETATM 0 H MSE B 45 22.376 37.023 52.419 1.00 23.76 H new HETATM 0 HA MSE B 45 21.680 38.915 54.108 1.00 26.23 H new HETATM 0 HB2 MSE B 45 22.432 36.220 54.649 1.00 25.71 H new HETATM 0 HB3 MSE B 45 21.898 37.167 55.767 1.00 25.71 H new HETATM 0 HG2 MSE B 45 20.410 35.921 53.749 1.00 33.59 H new HETATM 0 HG3 MSE B 45 20.076 35.975 55.271 1.00 33.59 H new HETATM 0 HE1 MSE B 45 18.759 39.710 55.840 1.00 40.82 H new HETATM 0 HE2 MSE B 45 19.108 38.363 56.598 1.00 40.82 H new HETATM 0 HE3 MSE B 45 20.263 39.223 55.941 1.00 40.82 H new ATOM 790 N LEU B 46 24.128 39.764 54.008 1.00 23.68 N ATOM 791 CA LEU B 46 25.364 40.387 54.463 1.00 22.56 C ATOM 792 C LEU B 46 25.015 41.836 54.741 1.00 21.79 C ATOM 793 O LEU B 46 24.363 42.490 53.926 1.00 19.32 O ATOM 794 CB LEU B 46 26.443 40.327 53.381 1.00 23.95 C ATOM 795 CG LEU B 46 27.148 38.995 53.126 1.00 27.05 C ATOM 796 CD1 LEU B 46 28.236 39.219 52.100 1.00 29.38 C ATOM 797 CD2 LEU B 46 27.757 38.461 54.417 1.00 28.78 C ATOM 0 H LEU B 46 23.759 40.161 53.340 1.00 23.68 H new ATOM 0 HA LEU B 46 25.712 39.930 55.245 1.00 22.56 H new ATOM 0 HB2 LEU B 46 26.039 40.612 52.546 1.00 23.95 H new ATOM 0 HB3 LEU B 46 27.122 40.982 53.605 1.00 23.95 H new ATOM 0 HG LEU B 46 26.508 38.344 52.800 1.00 27.05 H new ATOM 0 HD11 LEU B 46 28.694 38.382 51.926 1.00 29.38 H new ATOM 0 HD12 LEU B 46 27.842 39.548 51.277 1.00 29.38 H new ATOM 0 HD13 LEU B 46 28.870 39.870 52.438 1.00 29.38 H new ATOM 0 HD21 LEU B 46 28.201 37.617 54.241 1.00 28.78 H new ATOM 0 HD22 LEU B 46 28.402 39.099 54.759 1.00 28.78 H new ATOM 0 HD23 LEU B 46 27.056 38.327 55.074 1.00 28.78 H new ATOM 798 N GLU B 47 25.439 42.340 55.892 1.00 23.61 N ATOM 799 CA GLU B 47 25.142 43.716 56.244 1.00 26.04 C ATOM 800 C GLU B 47 25.661 44.683 55.181 1.00 26.18 C ATOM 801 O GLU B 47 25.049 45.723 54.929 1.00 24.62 O ATOM 802 CB GLU B 47 25.755 44.053 57.602 1.00 30.06 C ATOM 803 CG GLU B 47 25.440 45.454 58.085 1.00 35.42 C ATOM 804 CD GLU B 47 25.970 45.720 59.482 1.00 38.40 C ATOM 805 OE1 GLU B 47 26.664 44.837 60.034 1.00 38.35 O ATOM 806 OE2 GLU B 47 25.692 46.810 60.029 1.00 39.66 O ATOM 0 H GLU B 47 25.896 41.905 56.477 1.00 23.61 H new ATOM 0 HA GLU B 47 24.178 43.813 56.294 1.00 26.04 H new ATOM 0 HB2 GLU B 47 25.436 43.414 58.259 1.00 30.06 H new ATOM 0 HB3 GLU B 47 26.718 43.948 57.548 1.00 30.06 H new ATOM 0 HG2 GLU B 47 25.822 46.099 57.469 1.00 35.42 H new ATOM 0 HG3 GLU B 47 24.479 45.588 58.076 1.00 35.42 H new ATOM 807 N SER B 48 26.774 44.321 54.543 1.00 25.15 N ATOM 808 CA SER B 48 27.386 45.168 53.520 1.00 24.17 C ATOM 809 C SER B 48 26.550 45.293 52.241 1.00 23.90 C ATOM 810 O SER B 48 26.752 46.218 51.454 1.00 22.64 O ATOM 811 CB SER B 48 28.784 44.642 53.162 1.00 21.18 C ATOM 812 OG SER B 48 28.729 43.393 52.488 1.00 18.33 O ATOM 0 H SER B 48 27.192 43.584 54.689 1.00 25.15 H new ATOM 0 HA SER B 48 27.443 46.055 53.908 1.00 24.17 H new ATOM 0 HB2 SER B 48 29.239 45.291 52.602 1.00 21.18 H new ATOM 0 HB3 SER B 48 29.310 44.548 53.972 1.00 21.18 H new ATOM 0 HG SER B 48 29.508 43.137 52.307 1.00 18.33 H new ATOM 813 N GLU B 49 25.621 44.367 52.035 1.00 22.49 N ATOM 814 CA GLU B 49 24.769 44.380 50.841 1.00 24.55 C ATOM 815 C GLU B 49 23.460 45.148 51.023 1.00 24.55 C ATOM 816 O GLU B 49 22.790 45.479 50.048 1.00 23.56 O ATOM 817 CB GLU B 49 24.416 42.947 50.437 1.00 25.58 C ATOM 818 CG GLU B 49 25.580 42.105 49.969 1.00 27.08 C ATOM 819 CD GLU B 49 25.984 42.422 48.549 1.00 31.48 C ATOM 820 OE1 GLU B 49 26.932 41.780 48.046 1.00 32.50 O ATOM 821 OE2 GLU B 49 25.355 43.310 47.934 1.00 28.51 O ATOM 0 H GLU B 49 25.464 43.717 52.576 1.00 22.49 H new ATOM 0 HA GLU B 49 25.287 44.833 50.157 1.00 24.55 H new ATOM 0 HB2 GLU B 49 24.000 42.506 51.194 1.00 25.58 H new ATOM 0 HB3 GLU B 49 23.754 42.980 49.729 1.00 25.58 H new ATOM 0 HG2 GLU B 49 26.337 42.248 50.558 1.00 27.08 H new ATOM 0 HG3 GLU B 49 25.344 41.166 50.034 1.00 27.08 H new ATOM 822 N ALA B 50 23.096 45.410 52.272 1.00 23.79 N ATOM 823 CA ALA B 50 21.851 46.093 52.598 1.00 25.98 C ATOM 824 C ALA B 50 21.830 47.594 52.334 1.00 27.60 C ATOM 825 O ALA B 50 22.866 48.255 52.350 1.00 30.44 O ATOM 826 CB ALA B 50 21.508 45.837 54.054 1.00 24.97 C ATOM 0 H ALA B 50 23.567 45.195 52.959 1.00 23.79 H new ATOM 0 HA ALA B 50 21.190 45.720 51.994 1.00 25.98 H new ATOM 0 HB1 ALA B 50 20.679 46.290 54.276 1.00 24.97 H new ATOM 0 HB2 ALA B 50 21.404 44.884 54.199 1.00 24.97 H new ATOM 0 HB3 ALA B 50 22.221 46.174 54.619 1.00 24.97 H new ATOM 827 N ARG B 51 20.638 48.127 52.087 1.00 28.53 N ATOM 828 CA ARG B 51 20.481 49.564 51.876 1.00 31.57 C ATOM 829 C ARG B 51 19.600 50.069 53.010 1.00 31.61 C ATOM 830 O ARG B 51 18.830 49.304 53.591 1.00 28.17 O ATOM 831 CB ARG B 51 19.814 49.868 50.532 1.00 31.28 C ATOM 832 CG ARG B 51 18.333 49.532 50.458 1.00 31.87 C ATOM 833 CD ARG B 51 17.771 49.929 49.094 1.00 30.36 C ATOM 834 NE ARG B 51 16.400 49.468 48.895 1.00 29.11 N ATOM 835 CZ ARG B 51 15.339 49.961 49.523 1.00 29.97 C ATOM 836 NH1 ARG B 51 15.482 50.944 50.400 1.00 31.98 N ATOM 837 NH2 ARG B 51 14.134 49.470 49.274 1.00 28.94 N ATOM 0 H ARG B 51 19.908 47.676 52.037 1.00 28.53 H new ATOM 0 HA ARG B 51 21.349 49.998 51.865 1.00 31.57 H new ATOM 0 HB2 ARG B 51 19.928 50.811 50.336 1.00 31.28 H new ATOM 0 HB3 ARG B 51 20.279 49.376 49.837 1.00 31.28 H new ATOM 0 HG2 ARG B 51 18.202 48.582 50.606 1.00 31.87 H new ATOM 0 HG3 ARG B 51 17.853 49.997 51.161 1.00 31.87 H new ATOM 0 HD2 ARG B 51 17.800 50.894 49.005 1.00 30.36 H new ATOM 0 HD3 ARG B 51 18.336 49.562 48.396 1.00 30.36 H new ATOM 0 HE ARG B 51 16.270 48.832 48.331 1.00 29.11 H new ATOM 0 HH11 ARG B 51 16.263 51.264 50.564 1.00 31.98 H new ATOM 0 HH12 ARG B 51 14.794 51.262 50.806 1.00 31.98 H new ATOM 0 HH21 ARG B 51 14.039 48.832 48.705 1.00 28.94 H new ATOM 0 HH22 ARG B 51 13.447 49.789 49.681 1.00 28.94 H new ATOM 838 N GLU B 52 19.717 51.351 53.333 1.00 32.83 N ATOM 839 CA GLU B 52 18.918 51.919 54.403 1.00 36.01 C ATOM 840 C GLU B 52 17.585 52.369 53.817 1.00 36.36 C ATOM 841 O GLU B 52 17.544 52.943 52.727 1.00 35.00 O ATOM 842 CB GLU B 52 19.639 53.113 55.038 1.00 39.36 C ATOM 843 CG GLU B 52 21.135 52.905 55.261 1.00 42.30 C ATOM 844 CD GLU B 52 21.975 53.349 54.071 1.00 46.14 C ATOM 845 OE1 GLU B 52 21.757 52.837 52.950 1.00 45.64 O ATOM 846 OE2 GLU B 52 22.857 54.218 54.261 1.00 47.30 O ATOM 0 H GLU B 52 20.250 51.904 52.946 1.00 32.83 H new ATOM 0 HA GLU B 52 18.775 51.253 55.093 1.00 36.01 H new ATOM 0 HB2 GLU B 52 19.513 53.890 54.472 1.00 39.36 H new ATOM 0 HB3 GLU B 52 19.221 53.312 55.890 1.00 39.36 H new ATOM 0 HG2 GLU B 52 21.412 53.398 56.049 1.00 42.30 H new ATOM 0 HG3 GLU B 52 21.304 51.967 55.439 1.00 42.30 H new ATOM 847 N LEU B 53 16.499 52.094 54.532 1.00 35.91 N ATOM 848 CA LEU B 53 15.174 52.486 54.071 1.00 38.35 C ATOM 849 C LEU B 53 14.929 53.956 54.380 1.00 39.92 C ATOM 850 O LEU B 53 15.284 54.442 55.455 1.00 39.56 O ATOM 851 CB LEU B 53 14.092 51.651 54.759 1.00 38.36 C ATOM 852 CG LEU B 53 14.068 50.135 54.555 1.00 39.39 C ATOM 853 CD1 LEU B 53 12.897 49.562 55.333 1.00 38.62 C ATOM 854 CD2 LEU B 53 13.944 49.795 53.075 1.00 39.06 C ATOM 0 H LEU B 53 16.509 51.681 55.286 1.00 35.91 H new ATOM 0 HA LEU B 53 15.133 52.337 53.113 1.00 38.35 H new ATOM 0 HB2 LEU B 53 14.161 51.815 55.713 1.00 38.36 H new ATOM 0 HB3 LEU B 53 13.232 51.997 54.473 1.00 38.36 H new ATOM 0 HG LEU B 53 14.897 49.748 54.877 1.00 39.39 H new ATOM 0 HD11 LEU B 53 12.868 48.600 55.213 1.00 38.62 H new ATOM 0 HD12 LEU B 53 13.003 49.767 56.275 1.00 38.62 H new ATOM 0 HD13 LEU B 53 12.070 49.952 55.008 1.00 38.62 H new ATOM 0 HD21 LEU B 53 13.930 48.831 52.964 1.00 39.06 H new ATOM 0 HD22 LEU B 53 13.122 50.172 52.724 1.00 39.06 H new ATOM 0 HD23 LEU B 53 14.700 50.165 52.593 1.00 39.06 H new ATOM 855 N ALA B 54 14.331 54.664 53.432 1.00 42.74 N ATOM 856 CA ALA B 54 14.021 56.071 53.635 1.00 45.98 C ATOM 857 C ALA B 54 12.883 56.112 54.649 1.00 48.55 C ATOM 858 O ALA B 54 12.120 55.150 54.772 1.00 48.38 O ATOM 859 CB ALA B 54 13.588 56.708 52.322 1.00 46.34 C ATOM 0 H ALA B 54 14.097 54.350 52.666 1.00 42.74 H new ATOM 0 HA ALA B 54 14.793 56.564 53.953 1.00 45.98 H new ATOM 0 HB1 ALA B 54 13.384 57.645 52.468 1.00 46.34 H new ATOM 0 HB2 ALA B 54 14.305 56.631 51.673 1.00 46.34 H new ATOM 0 HB3 ALA B 54 12.799 56.254 51.987 1.00 46.34 H new ATOM 860 N PRO B 55 12.750 57.222 55.392 1.00 50.35 N ATOM 861 CA PRO B 55 11.681 57.332 56.388 1.00 51.42 C ATOM 862 C PRO B 55 10.293 57.090 55.803 1.00 52.04 C ATOM 863 O PRO B 55 9.361 56.731 56.524 1.00 52.30 O ATOM 864 CB PRO B 55 11.851 58.755 56.918 1.00 52.14 C ATOM 865 CG PRO B 55 12.417 59.485 55.738 1.00 51.36 C ATOM 866 CD PRO B 55 13.448 58.509 55.233 1.00 51.06 C ATOM 0 HA PRO B 55 11.748 56.657 57.081 1.00 51.42 H new ATOM 0 HB2 PRO B 55 11.006 59.135 57.205 1.00 52.14 H new ATOM 0 HB3 PRO B 55 12.449 58.786 57.681 1.00 52.14 H new ATOM 0 HG2 PRO B 55 11.740 59.676 55.070 1.00 51.36 H new ATOM 0 HG3 PRO B 55 12.813 60.333 55.991 1.00 51.36 H new ATOM 0 HD2 PRO B 55 13.689 58.680 54.309 1.00 51.06 H new ATOM 0 HD3 PRO B 55 14.267 58.545 55.751 1.00 51.06 H new ATOM 867 N GLU B 56 10.165 57.279 54.494 1.00 52.49 N ATOM 868 CA GLU B 56 8.886 57.087 53.822 1.00 52.77 C ATOM 869 C GLU B 56 8.584 55.611 53.575 1.00 52.25 C ATOM 870 O GLU B 56 7.421 55.218 53.480 1.00 51.82 O ATOM 871 CB GLU B 56 8.867 57.856 52.499 1.00 54.60 C ATOM 872 CG GLU B 56 7.485 57.966 51.872 1.00 56.77 C ATOM 873 CD GLU B 56 7.433 58.964 50.730 1.00 58.36 C ATOM 874 OE1 GLU B 56 6.333 59.174 50.174 1.00 59.81 O ATOM 875 OE2 GLU B 56 8.490 59.539 50.387 1.00 58.93 O ATOM 0 H GLU B 56 10.808 57.519 53.976 1.00 52.49 H new ATOM 0 HA GLU B 56 8.194 57.432 54.408 1.00 52.77 H new ATOM 0 HB2 GLU B 56 9.217 58.748 52.648 1.00 54.60 H new ATOM 0 HB3 GLU B 56 9.464 57.418 51.872 1.00 54.60 H new ATOM 0 HG2 GLU B 56 7.212 57.094 51.546 1.00 56.77 H new ATOM 0 HG3 GLU B 56 6.846 58.227 52.553 1.00 56.77 H new ATOM 876 N GLU B 57 9.629 54.795 53.470 1.00 51.22 N ATOM 877 CA GLU B 57 9.444 53.365 53.248 1.00 49.84 C ATOM 878 C GLU B 57 9.063 52.689 54.552 1.00 49.10 C ATOM 879 O GLU B 57 8.348 51.696 54.556 1.00 47.60 O ATOM 880 CB GLU B 57 10.723 52.709 52.728 1.00 50.06 C ATOM 881 CG GLU B 57 11.227 53.222 51.403 1.00 49.48 C ATOM 882 CD GLU B 57 12.372 52.380 50.874 1.00 49.27 C ATOM 883 OE1 GLU B 57 12.124 51.223 50.475 1.00 48.13 O ATOM 884 OE2 GLU B 57 13.520 52.871 50.865 1.00 48.75 O ATOM 0 H GLU B 57 10.449 55.048 53.524 1.00 51.22 H new ATOM 0 HA GLU B 57 8.742 53.261 52.587 1.00 49.84 H new ATOM 0 HB2 GLU B 57 11.421 52.830 53.390 1.00 50.06 H new ATOM 0 HB3 GLU B 57 10.569 51.755 52.649 1.00 50.06 H new ATOM 0 HG2 GLU B 57 10.502 53.223 50.759 1.00 49.48 H new ATOM 0 HG3 GLU B 57 11.520 54.141 51.502 1.00 49.48 H new ATOM 885 N GLU B 58 9.556 53.233 55.657 1.00 50.27 N ATOM 886 CA GLU B 58 9.284 52.680 56.977 1.00 51.95 C ATOM 887 C GLU B 58 7.793 52.583 57.301 1.00 51.88 C ATOM 888 O GLU B 58 7.328 51.568 57.821 1.00 50.56 O ATOM 889 CB GLU B 58 9.998 53.520 58.037 1.00 53.24 C ATOM 890 CG GLU B 58 11.504 53.589 57.839 1.00 56.32 C ATOM 891 CD GLU B 58 12.200 54.373 58.933 1.00 58.22 C ATOM 892 OE1 GLU B 58 11.953 54.070 60.120 1.00 59.03 O ATOM 893 OE2 GLU B 58 12.995 55.282 58.609 1.00 58.85 O ATOM 0 H GLU B 58 10.057 53.932 55.663 1.00 50.27 H new ATOM 0 HA GLU B 58 9.622 51.771 56.978 1.00 51.95 H new ATOM 0 HB2 GLU B 58 9.635 54.420 58.025 1.00 53.24 H new ATOM 0 HB3 GLU B 58 9.810 53.150 58.914 1.00 53.24 H new ATOM 0 HG2 GLU B 58 11.865 52.689 57.811 1.00 56.32 H new ATOM 0 HG3 GLU B 58 11.696 53.998 56.981 1.00 56.32 H new ATOM 894 N VAL B 59 7.050 53.641 56.985 1.00 52.61 N ATOM 895 CA VAL B 59 5.613 53.693 57.249 1.00 52.75 C ATOM 896 C VAL B 59 4.816 52.427 56.919 1.00 52.69 C ATOM 897 O VAL B 59 4.096 51.911 57.774 1.00 53.17 O ATOM 898 CB VAL B 59 4.962 54.891 56.507 1.00 53.11 C ATOM 899 CG1 VAL B 59 3.461 54.673 56.356 1.00 53.96 C ATOM 900 CG2 VAL B 59 5.212 56.173 57.285 1.00 53.26 C ATOM 0 H VAL B 59 7.364 54.349 56.612 1.00 52.61 H new ATOM 0 HA VAL B 59 5.565 53.792 58.213 1.00 52.75 H new ATOM 0 HB VAL B 59 5.359 54.962 55.625 1.00 53.11 H new ATOM 0 HG11 VAL B 59 3.069 55.429 55.891 1.00 53.96 H new ATOM 0 HG12 VAL B 59 3.301 53.863 55.847 1.00 53.96 H new ATOM 0 HG13 VAL B 59 3.056 54.588 57.233 1.00 53.96 H new ATOM 0 HG21 VAL B 59 4.804 56.919 56.819 1.00 53.26 H new ATOM 0 HG22 VAL B 59 4.825 56.095 58.171 1.00 53.26 H new ATOM 0 HG23 VAL B 59 6.167 56.324 57.362 1.00 53.26 H new ATOM 901 N LYS B 60 4.945 51.922 55.694 1.00 52.06 N ATOM 902 CA LYS B 60 4.184 50.741 55.285 1.00 52.35 C ATOM 903 C LYS B 60 4.445 49.462 56.090 1.00 51.50 C ATOM 904 O LYS B 60 3.701 48.486 55.966 1.00 50.88 O ATOM 905 CB LYS B 60 4.386 50.471 53.783 1.00 53.49 C ATOM 906 CG LYS B 60 5.571 49.584 53.428 1.00 54.59 C ATOM 907 CD LYS B 60 5.748 49.426 51.921 1.00 56.49 C ATOM 908 CE LYS B 60 6.026 50.761 51.242 1.00 57.81 C ATOM 909 NZ LYS B 60 6.150 50.608 49.768 1.00 58.82 N ATOM 0 H LYS B 60 5.463 52.245 55.088 1.00 52.06 H new ATOM 0 HA LYS B 60 3.261 50.968 55.477 1.00 52.35 H new ATOM 0 HB2 LYS B 60 3.579 50.061 53.433 1.00 53.49 H new ATOM 0 HB3 LYS B 60 4.492 51.322 53.329 1.00 53.49 H new ATOM 0 HG2 LYS B 60 6.380 49.961 53.808 1.00 54.59 H new ATOM 0 HG3 LYS B 60 5.449 48.710 53.830 1.00 54.59 H new ATOM 0 HD2 LYS B 60 6.479 48.814 51.743 1.00 56.49 H new ATOM 0 HD3 LYS B 60 4.948 49.030 51.541 1.00 56.49 H new ATOM 0 HE2 LYS B 60 5.310 51.384 51.445 1.00 57.81 H new ATOM 0 HE3 LYS B 60 6.843 51.143 51.599 1.00 57.81 H new ATOM 0 HZ1 LYS B 60 5.854 51.345 49.367 1.00 58.82 H new ATOM 0 HZ2 LYS B 60 7.004 50.477 49.554 1.00 58.82 H new ATOM 0 HZ3 LYS B 60 5.667 49.910 49.500 1.00 58.82 H new ATOM 910 N LEU B 61 5.490 49.459 56.913 1.00 49.93 N ATOM 911 CA LEU B 61 5.801 48.287 57.730 1.00 49.36 C ATOM 912 C LEU B 61 5.066 48.378 59.064 1.00 49.32 C ATOM 913 O LEU B 61 5.078 47.439 59.864 1.00 48.48 O ATOM 914 CB LEU B 61 7.312 48.180 57.971 1.00 49.34 C ATOM 915 CG LEU B 61 8.180 47.864 56.749 1.00 48.64 C ATOM 916 CD1 LEU B 61 9.647 47.904 57.135 1.00 47.79 C ATOM 917 CD2 LEU B 61 7.807 46.505 56.184 1.00 48.47 C ATOM 0 H LEU B 61 6.029 50.121 57.014 1.00 49.93 H new ATOM 0 HA LEU B 61 5.509 47.493 57.256 1.00 49.36 H new ATOM 0 HB2 LEU B 61 7.618 49.018 58.352 1.00 49.34 H new ATOM 0 HB3 LEU B 61 7.465 47.492 58.638 1.00 49.34 H new ATOM 0 HG LEU B 61 8.024 48.532 56.063 1.00 48.64 H new ATOM 0 HD11 LEU B 61 10.192 47.703 56.358 1.00 47.79 H new ATOM 0 HD12 LEU B 61 9.871 48.788 57.467 1.00 47.79 H new ATOM 0 HD13 LEU B 61 9.818 47.247 57.828 1.00 47.79 H new ATOM 0 HD21 LEU B 61 8.361 46.313 55.411 1.00 48.47 H new ATOM 0 HD22 LEU B 61 7.948 45.824 56.860 1.00 48.47 H new ATOM 0 HD23 LEU B 61 6.874 46.509 55.920 1.00 48.47 H new ATOM 918 N GLU B 62 4.432 49.523 59.294 1.00 48.96 N ATOM 919 CA GLU B 62 3.669 49.760 60.513 1.00 48.86 C ATOM 920 C GLU B 62 2.306 49.083 60.438 1.00 48.85 C ATOM 921 O GLU B 62 1.663 48.948 61.501 1.00 49.07 O ATOM 922 CB GLU B 62 3.477 51.261 60.743 1.00 48.47 C ATOM 923 CG GLU B 62 4.606 51.933 61.506 1.00 49.87 C ATOM 924 CD GLU B 62 4.322 53.403 61.779 1.00 51.06 C ATOM 925 OE1 GLU B 62 4.483 54.226 60.851 1.00 52.04 O ATOM 926 OE2 GLU B 62 3.924 53.734 62.917 1.00 50.59 O ATOM 0 H GLU B 62 4.432 50.186 58.746 1.00 48.96 H new ATOM 0 HA GLU B 62 4.169 49.383 61.254 1.00 48.86 H new ATOM 0 HB2 GLU B 62 3.379 51.698 59.883 1.00 48.47 H new ATOM 0 HB3 GLU B 62 2.648 51.399 61.228 1.00 48.47 H new ATOM 0 HG2 GLU B 62 4.745 51.471 62.347 1.00 49.87 H new ATOM 0 HG3 GLU B 62 5.429 51.853 60.999 1.00 49.87 H new TER 927 GLU B 62 HETATM 928 ZN ZN A 102 8.077 26.003 62.937 1.00 25.31 ZN HETATM 929 ZN ZN B 101 18.046 43.578 61.991 1.00 23.71 ZN HETATM 930 O HOH A 202 1.383 42.442 55.395 1.00 19.20 O HETATM 931 O HOH A 203 11.981 27.904 63.161 1.00 26.47 O HETATM 932 O HOH A 207 3.967 32.736 59.118 1.00 28.49 O HETATM 933 O HOH A 209 -3.313 26.477 56.082 1.00 33.08 O HETATM 934 O HOH A 211 3.364 39.437 57.504 1.00 32.19 O HETATM 935 O HOH A 217 7.150 22.500 50.474 1.00 34.22 O HETATM 936 O HOH A 219 12.967 34.193 50.078 1.00 22.26 O HETATM 937 O HOH A 222 13.707 33.684 47.685 1.00 45.48 O HETATM 938 O HOH A 227 19.875 15.968 53.613 1.00 38.01 O HETATM 939 O HOH A 230 13.151 33.383 58.493 1.00 36.15 O HETATM 940 O HOH A 231 12.725 12.155 61.214 1.00 36.58 O HETATM 941 O HOH A 232 4.144 35.046 57.475 1.00 31.96 O HETATM 942 O HOH A 233 11.432 34.414 65.116 1.00 34.20 O HETATM 943 O HOH A 237 4.482 30.680 39.316 1.00 39.86 O HETATM 944 O HOH A 238 19.713 20.784 48.978 1.00 40.00 O HETATM 945 O HOH A 239 8.368 22.632 47.163 1.00 36.18 O HETATM 946 O HOH A 241 13.559 25.810 64.109 1.00 30.67 O HETATM 947 O HOH A 242 -0.842 28.292 58.397 1.00 38.71 O HETATM 948 O HOH A 243 3.622 43.763 45.744 1.00 34.82 O HETATM 949 O HOH A 245 11.865 34.523 46.449 1.00 41.58 O HETATM 950 O HOH A 246 8.873 24.926 46.025 1.00 35.95 O HETATM 951 O HOH A 247 9.082 30.425 43.086 1.00 35.99 O HETATM 952 O HOH A 253 14.419 26.658 60.806 1.00 33.60 O HETATM 953 O HOH A 254 -0.539 27.718 61.713 1.00 39.45 O HETATM 954 O HOH A 256 -0.078 31.726 57.901 1.00 36.39 O HETATM 955 O HOH A 257 1.384 32.451 62.250 1.00 39.43 O HETATM 956 O HOH A 258 24.461 22.658 63.536 1.00 38.37 O HETATM 957 O HOH B 201 18.670 46.062 48.892 1.00 18.12 O HETATM 958 O HOH B 204 12.849 35.826 59.021 1.00 26.71 O HETATM 959 O HOH B 205 11.654 42.479 60.263 1.00 26.35 O HETATM 960 O HOH B 206 16.656 42.639 45.180 1.00 27.93 O HETATM 961 O HOH B 208 27.106 40.696 57.599 1.00 27.37 O HETATM 962 O HOH B 210 15.500 44.531 65.169 1.00 26.02 O HETATM 963 O HOH B 213 17.124 45.099 45.369 1.00 36.05 O HETATM 964 O HOH B 215 26.651 49.228 61.327 1.00 46.92 O HETATM 965 O HOH B 216 20.961 46.614 48.080 1.00 23.99 O HETATM 966 O HOH B 218 23.023 30.182 57.517 1.00 37.49 O HETATM 967 O HOH B 220 22.069 34.191 57.482 1.00 38.91 O HETATM 968 O HOH B 221 24.121 32.752 56.794 1.00 47.48 O HETATM 969 O HOH B 225 23.907 43.967 41.598 1.00 34.66 O HETATM 970 O HOH B 226 14.117 41.918 62.456 1.00 30.12 O HETATM 971 O HOH B 228 12.529 43.975 63.031 1.00 31.36 O HETATM 972 O HOH B 229 22.412 24.398 46.102 1.00 37.88 O HETATM 973 O HOH B 235 7.257 49.908 55.364 1.00 43.23 O HETATM 974 O HOH B 236 21.877 36.517 58.852 1.00 34.07 O HETATM 975 O HOH B 240 12.735 55.993 61.291 1.00 38.28 O HETATM 976 O HOH B 244 17.051 46.820 65.723 1.00 37.50 O HETATM 977 O HOH B 248 5.169 44.353 57.315 1.00 40.03 O HETATM 978 O HOH B 249 24.313 35.642 51.795 1.00 34.44 O HETATM 979 O HOH B 251 10.990 49.392 64.170 1.00 37.08 O HETATM 980 O HOH B 252 22.946 33.299 54.846 1.00 39.76 O HETATM 981 O HOH B 255 11.773 47.071 50.222 1.00 33.14 O CONECT 76 928 CONECT 97 928 CONECT 214 928 CONECT 234 928 CONECT 308 313 CONECT 313 308 314 CONECT 314 313 315 317 CONECT 315 314 316 321 CONECT 316 315 CONECT 317 314 318 CONECT 318 317 319 CONECT 319 318 320 CONECT 320 319 CONECT 321 315 322 CONECT 322 321 323 325 CONECT 323 322 324 329 CONECT 324 323 CONECT 325 322 326 CONECT 326 325 327 CONECT 327 326 328 CONECT 328 327 CONECT 329 323 CONECT 528 929 CONECT 549 929 CONECT 666 929 CONECT 687 929 CONECT 769 774 CONECT 774 769 775 CONECT 775 774 776 778 CONECT 776 775 777 782 CONECT 777 776 CONECT 778 775 779 CONECT 779 778 780 CONECT 780 779 781 CONECT 781 780 CONECT 782 776 783 CONECT 783 782 784 786 CONECT 784 783 785 790 CONECT 785 784 CONECT 786 783 787 CONECT 787 786 788 CONECT 788 787 789 CONECT 789 788 CONECT 790 784 CONECT 928 76 97 214 234 CONECT 929 528 549 666 687 END