HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-NOV-07 3BHP TITLE CRYSTAL STRUCTURE OF UPF0291 PROTEIN YNZC FROM BACILLUS TITLE 2 SUBTILIS AT RESOLUTION 2.0 A. NORTHEAST STRUCTURAL TITLE 3 GENOMICS CONSORTIUM TARGET SR384 COMPND MOL_ID: 1; COMPND 2 MOLECULE: UPF0291 PROTEIN YNZC; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: RESIDUES 1-52; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 STRAIN: 168; SOURCE 5 GENE: YNZC, BSU17880; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS X-RAY STRUCTURE, NESG, SR384, O31818, UPF0291 PROTEIN YNZC, KEYWDS 2 STRUCTURAL GENOMICS, PSI-2, PROTEIN STRUCTURE INITIATIVE, KEYWDS 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, CYTOPLASM, KEYWDS 4 UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR A.P.KUZIN,M.SU,J.SEETHARAMAN,H.JANJUA,K.CUNNINGHAM, AUTHOR 2 M.MAGLAQUI,L.A.OWENS,L.ZHAO,R.XIAO,M.C.BARAN,T.B.ACTON, AUTHOR 3 B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 3BHP 1 VERSN REVDAT 1 11-DEC-07 3BHP 0 JRNL AUTH A.P.KUZIN,M.SU,J.SEETHARAMAN,H.JANJUA,K.CUNNINGHAM, JRNL AUTH 2 M.MAGLAQUI,L.A.OWENS,L.ZHAO,R.XIAO,M.C.BARAN, JRNL AUTH 3 T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL CRYSTAL STRUCTURE OF THE UPF0291 PROTEIN YNZC FROM JRNL TITL 2 BACILLUS SUBTILIS AT THE RESOLUTION 2.0 A. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.01 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.01 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.55 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 660559.390 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.7 REMARK 3 NUMBER OF REFLECTIONS : 26053 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) : 0.229 REMARK 3 FREE R VALUE : 0.262 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.300 REMARK 3 FREE R VALUE TEST SET COUNT : 2246 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.01 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 70.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2864 REMARK 3 BIN R VALUE (WORKING SET) : 0.1750 REMARK 3 BIN FREE R VALUE : 0.2100 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 312 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.012 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1211 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 196 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 7.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -5.99100 REMARK 3 B22 (A**2) : 0.70000 REMARK 3 B33 (A**2) : 5.29100 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 2.00100 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM SIGMAA (A) : -0.14 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) : 0.27 REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 0.82 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 16.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.63 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) : 1.519 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.332 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.555 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.915 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.45 REMARK 3 BSOL : 62.66 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FRIEDEL PAIRS WERE USED IN REMARK 3 PHASING. BULK SOLVENT MODEL USED IN REFINEMENT REMARK 4 REMARK 4 3BHP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-NOV-07. REMARK 100 THE RCSB ID CODE IS RCSB045534. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-OCT-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97900 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 26190 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 15.500 REMARK 200 R MERGE (I) : 0.05800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 25.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.12300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 10.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M KH2PO4, 0.1M NA CITRATE, 40% REMARK 280 PEG 1000, PH 4.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 32.63950 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 19.23000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 32.63950 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 19.23000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4060 ANGSTROM**2 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 117 LIES ON A SPECIAL POSITION. 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 LEU A 53 REMARK 465 GLU A 54 REMARK 465 HIS A 55 REMARK 465 HIS A 56 REMARK 465 HIS A 57 REMARK 465 HIS A 58 REMARK 465 HIS A 59 REMARK 465 HIS A 60 REMARK 465 LEU B 49 REMARK 465 LYS B 50 REMARK 465 SER B 51 REMARK 465 VAL B 52 REMARK 465 LEU B 53 REMARK 465 GLU B 54 REMARK 465 HIS B 55 REMARK 465 HIS B 56 REMARK 465 HIS B 57 REMARK 465 HIS B 58 REMARK 465 HIS B 59 REMARK 465 HIS B 60 REMARK 465 HIS C 55 REMARK 465 HIS C 56 REMARK 465 HIS C 57 REMARK 465 HIS C 58 REMARK 465 HIS C 59 REMARK 465 HIS C 60 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 C 49 -7.03 -141.02 REMARK 500 LYS C 50 94.68 62.55 REMARK 500 SER C 51 -145.76 56.37 REMARK 500 LEU C 53 79.86 40.83 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 C 162 DISTANCE = 6.44 ANGSTROMS REMARK 525 HOH C 185 DISTANCE = 8.20 ANGSTROMS REMARK 525 HOH C 190 DISTANCE = 12.07 ANGSTROMS REMARK 525 HOH A 122 DISTANCE = 6.70 ANGSTROMS REMARK 525 HOH C 195 DISTANCE = 5.95 ANGSTROMS REMARK 525 HOH C 196 DISTANCE = 6.78 ANGSTROMS REMARK 525 HOH A 133 DISTANCE = 5.13 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SR384 RELATED DB: TARGETDB REMARK 900 RELATED ID: 2HEP RELATED DB: PDB REMARK 900 NMR STRUCTURE (FRAGMENT 1-42) REMARK 900 RELATED ID: 2JVD RELATED DB: PDB REMARK 900 NMR STRUCTURE (FRAGMENT 1-48) DBREF 3BHP A 1 52 UNP O31818 YNZC_BACSU 1 52 DBREF 3BHP B 1 52 UNP O31818 YNZC_BACSU 1 52 DBREF 3BHP C 1 52 UNP O31818 YNZC_BACSU 1 52 SEQADV 3BHP LEU A 53 UNP O31818 EXPRESSION TAG SEQADV 3BHP GLU A 54 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 55 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 56 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 57 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 58 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 59 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS A 60 UNP O31818 EXPRESSION TAG SEQADV 3BHP LEU B 53 UNP O31818 EXPRESSION TAG SEQADV 3BHP GLU B 54 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 55 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 56 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 57 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 58 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 59 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS B 60 UNP O31818 EXPRESSION TAG SEQADV 3BHP LEU C 53 UNP O31818 EXPRESSION TAG SEQADV 3BHP GLU C 54 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 55 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 56 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 57 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 58 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 59 UNP O31818 EXPRESSION TAG SEQADV 3BHP HIS C 60 UNP O31818 EXPRESSION TAG SEQRES 1 A 60 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 A 60 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 A 60 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 A 60 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 A 60 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 60 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 B 60 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 B 60 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 B 60 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 B 60 LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 C 60 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 C 60 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 C 60 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 C 60 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 C 60 LEU GLU HIS HIS HIS HIS HIS HIS MODRES 3BHP MSE A 1 MET SELENOMETHIONINE MODRES 3BHP MSE A 45 MET SELENOMETHIONINE MODRES 3BHP MSE B 1 MET SELENOMETHIONINE MODRES 3BHP MSE B 45 MET SELENOMETHIONINE MODRES 3BHP MSE C 1 MET SELENOMETHIONINE MODRES 3BHP MSE C 45 MET SELENOMETHIONINE HET MSE A 1 8 HET MSE A 45 8 HET MSE B 1 8 HET MSE B 45 8 HET MSE C 1 8 HET MSE C 45 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 6(C5 H11 N O2 SE) FORMUL 4 HOH *196(H2 O) HELIX 1 1 SER A 3 ALA A 19 1 17 HELIX 2 2 THR A 23 LEU A 49 1 27 HELIX 3 3 SER B 3 ALA B 19 1 17 HELIX 4 4 THR B 23 GLY B 40 1 18 HELIX 5 5 PHE B 41 THR B 48 1 8 HELIX 6 6 SER C 3 ALA C 19 1 17 HELIX 7 7 THR C 23 GLY C 40 1 18 HELIX 8 8 PHE C 41 ASN C 47 1 7 LINK C MSE A 1 N ILE A 2 1555 1555 1.33 LINK C SER A 44 N MSE A 45 1555 1555 1.33 LINK C MSE A 45 N LYS A 46 1555 1555 1.33 LINK C MSE B 1 N ILE B 2 1555 1555 1.33 LINK C SER B 44 N MSE B 45 1555 1555 1.33 LINK C MSE B 45 N LYS B 46 1555 1555 1.33 LINK C MSE C 1 N ILE C 2 1555 1555 1.33 LINK C SER C 44 N MSE C 45 1555 1555 1.33 LINK C MSE C 45 N LYS C 46 1555 1555 1.33 CRYST1 65.279 38.460 86.785 90.00 107.95 90.00 C 1 2 1 12 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 0.015319 0.000000 0.004963 0.00000 SCALE2 0.000000 0.026001 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012112 0.00000 HETATM 1 N MSE A 1 32.575 28.850 18.270 1.00 40.71 N HETATM 2 CA MSE A 1 32.137 28.317 19.595 1.00 40.39 C HETATM 3 C MSE A 1 31.902 29.487 20.549 1.00 37.72 C HETATM 4 O MSE A 1 32.670 30.448 20.560 1.00 38.25 O HETATM 5 CB MSE A 1 33.211 27.379 20.158 1.00 44.93 C HETATM 6 CG MSE A 1 32.677 26.270 21.056 1.00 49.92 C HETATM 7 SE MSE A 1 34.034 24.949 21.479 1.00 58.49 SE HETATM 8 CE MSE A 1 34.020 25.074 23.407 1.00 56.75 C REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3BHP.PDB, MODEL/S 1 3BHP.PDB REMARK PdbStat -- SEQRES 1 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 A 350 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 6 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 7 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 8 A 350 GLY PHE ARG SER SER MSE LYS ASN THR MSE ILE SER ASN SEQRES 9 A 350 ALA LYS ILE ALA ARG ILE ASN GLU LEU ALA ALA LYS ALA SEQRES 10 A 350 LYS ALA GLY VAL ILE THR GLU GLU GLU LYS ALA GLU GLN SEQRES 11 A 350 GLN LYS LEU ARG GLN GLU TYR LEU LYS GLY PHE ARG SER SEQRES 12 A 350 SER MSE LYS ASN THR LEU LYS SER VAL LEU GLU HOH HOH SEQRES 13 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3BHP.PDB, MODEL/S 1 3BHP.PDB REMARK PdbStat -- SEQRES 1 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 A 350 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 6 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 7 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 8 A 350 GLY PHE ARG SER SER MSE LYS ASN THR MSE ILE SER ASN SEQRES 9 A 350 ALA LYS ILE ALA ARG ILE ASN GLU LEU ALA ALA LYS ALA SEQRES 10 A 350 LYS ALA GLY VAL ILE THR GLU GLU GLU LYS ALA GLU GLN SEQRES 11 A 350 GLN LYS LEU ARG GLN GLU TYR LEU LYS GLY PHE ARG SER SEQRES 12 A 350 SER MSE LYS ASN THR LEU LYS SER VAL LEU GLU HOH HOH SEQRES 13 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3BHP.PDB, MODEL/S 1 3BHP.PDB REMARK PdbStat -- SEQRES 1 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 2 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 3 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 4 A 350 GLY PHE ARG SER SER MSE LYS ASN THR LEU LYS SER VAL SEQRES 5 A 350 MSE ILE SER ASN ALA LYS ILE ALA ARG ILE ASN GLU LEU SEQRES 6 A 350 ALA ALA LYS ALA LYS ALA GLY VAL ILE THR GLU GLU GLU SEQRES 7 A 350 LYS ALA GLU GLN GLN LYS LEU ARG GLN GLU TYR LEU LYS SEQRES 8 A 350 GLY PHE ARG SER SER MSE LYS ASN THR MSE ILE SER ASN SEQRES 9 A 350 ALA LYS ILE ALA ARG ILE ASN GLU LEU ALA ALA LYS ALA SEQRES 10 A 350 LYS ALA GLY VAL ILE THR GLU GLU GLU LYS ALA GLU GLN SEQRES 11 A 350 GLN LYS LEU ARG GLN GLU TYR LEU LYS GLY PHE ARG SER SEQRES 12 A 350 SER MSE LYS ASN THR LEU LYS SER VAL LEU GLU HOH HOH SEQRES 13 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 18 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 19 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 350 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3BHP.pdb HETATM 1 N MSE A 1 32.041 30.793 23.544 1.00 40.71 N HETATM 2 CA MSE A 1 31.603 30.260 24.869 1.00 40.39 C HETATM 3 C MSE A 1 31.368 31.430 25.823 1.00 37.72 C HETATM 4 O MSE A 1 32.136 32.391 25.834 1.00 38.25 O HETATM 5 CB MSE A 1 32.677 29.322 25.432 1.00 44.93 C HETATM 6 CG MSE A 1 32.143 28.213 26.330 1.00 49.92 C HETATM 7 SE MSE A 1 33.500 26.892 26.753 1.00 58.49 HETATM 8 CE MSE A 1 33.486 27.017 28.681 1.00 56.75 C HETATM 9 N MSE A 1 33.582 29.681 23.392 1.00 40.71 N HETATM 10 CA MSE A 1 33.144 29.148 24.717 1.00 40.39 C HETATM 11 C MSE A 1 32.909 30.318 25.671 1.00 37.72 C HETATM 12 O MSE A 1 33.677 31.279 25.682 1.00 38.25 O HETATM 13 CB MSE A 1 34.218 28.210 25.280 1.00 44.93 C HETATM 14 CG MSE A 1 33.684 27.101 26.178 1.00 49.92 C HETATM 15 SE MSE A 1 35.041 25.780 26.601 1.00 58.49 HETATM 16 CE MSE A 1 35.027 25.905 28.529 1.00 56.75 C HETATM 17 N MSE A 1 1.734 -0.555 -3.077 1.00 40.71 N HETATM 18 CA MSE A 1 1.296 -1.088 -1.752 1.00 40.39 C HETATM 19 C MSE A 1 1.061 0.082 -0.798 1.00 37.72 C HETATM 20 O MSE A 1 1.829 1.043 -0.787 1.00 38.25 O HETATM 21 CB MSE A 1 2.370 -2.026 -1.189 1.00 44.93 C HETATM 22 CG MSE A 1 1.836 -3.135 -0.291 1.00 49.92 C HETATM 23 SE MSE A 1 3.193 -4.456 0.132 1.00 58.49 HETATM 24 CE MSE A 1 3.179 -4.331 2.060 1.00 56.75 C ATOM 25 N ILE A 2 0.000 0.000 -0.000 1.00 34.14 N ATOM 26 CA ILE A 2 -0.330 1.069 0.940 1.00 29.36 C ATOM 27 C ILE A 2 0.584 1.125 2.170 1.00 26.17 C ATOM 28 O ILE A 2 1.336 0.190 2.436 1.00 27.27 O ATOM 29 CB ILE A 2 -1.807 0.967 1.382 1.00 30.21 C ATOM 30 CG1 ILE A 2 -2.122 -0.449 1.867 1.00 29.57 C ATOM 31 CG2 ILE A 2 -2.719 1.331 0.213 1.00 29.12 C ATOM 32 CD1 ILE A 2 -3.550 -0.600 2.366 1.00 30.00 C ATOM 33 N SER A 3 0.509 2.232 2.908 1.00 23.68 N ATOM 34 CA SER A 3 1.339 2.467 4.092 1.00 21.03 C ATOM 35 C SER A 3 1.314 1.355 5.140 1.00 19.02 C ATOM 36 O SER A 3 0.362 0.574 5.220 1.00 16.48 O ATOM 37 CB SER A 3 0.928 3.773 4.767 1.00 22.35 C ATOM 38 OG SER A 3 -0.288 3.614 5.481 1.00 20.68 O ATOM 39 N ASN A 4 2.371 1.301 5.944 1.00 16.99 N ATOM 40 CA ASN A 4 2.487 0.302 6.999 1.00 17.67 C ATOM 41 C ASN A 4 1.430 0.537 8.074 1.00 16.43 C ATOM 42 O ASN A 4 0.911 -0.409 8.664 1.00 15.05 O ATOM 43 CB ASN A 4 3.884 0.344 7.631 1.00 16.59 C ATOM 44 CG ASN A 4 4.976 -0.043 6.657 1.00 18.91 C ATOM 45 OD1 ASN A 4 4.841 -1.016 5.920 1.00 19.75 O ATOM 46 ND2 ASN A 4 6.072 0.711 6.659 1.00 19.94 N ATOM 47 N ALA A 5 1.121 1.803 8.331 1.00 15.30 N ATOM 48 CA ALA A 5 0.111 2.142 9.326 1.00 16.01 C ATOM 49 C ALA A 5 -1.253 1.569 8.927 1.00 14.87 C ATOM 50 O ALA A 5 -1.986 1.054 9.769 1.00 14.82 O ATOM 51 CB ALA A 5 0.017 3.656 9.484 1.00 18.14 C ATOM 52 N LYS A 6 -1.577 1.654 7.640 1.00 12.87 N ATOM 53 CA LYS A 6 -2.845 1.155 7.123 1.00 11.90 C ATOM 54 C LYS A 6 -2.924 -0.367 7.097 1.00 11.46 C ATOM 55 O LYS A 6 -4.009 -0.938 7.224 1.00 10.69 O ATOM 56 CB LYS A 6 -3.096 1.713 5.723 1.00 14.18 C ATOM 57 CG LYS A 6 -3.517 3.182 5.706 1.00 17.45 C ATOM 58 CD LYS A 6 -3.750 3.652 4.278 1.00 21.50 C ATOM 59 CE LYS A 6 -4.196 5.111 4.214 1.00 23.78 C ATOM 60 NZ LYS A 6 -5.532 5.307 4.821 1.00 24.75 N ATOM 61 N ILE A 7 -1.784 -1.024 6.914 1.00 9.06 N ATOM 62 CA ILE A 7 -1.766 -2.482 6.916 1.00 10.54 C ATOM 63 C ILE A 7 -2.083 -2.906 8.341 1.00 8.92 C ATOM 64 O ILE A 7 -2.813 -3.872 8.572 1.00 9.26 O ATOM 65 CB ILE A 7 -0.375 -3.034 6.514 1.00 13.44 C ATOM 66 CG1 ILE A 7 -0.123 -2.760 5.031 1.00 14.60 C ATOM 67 CG2 ILE A 7 -0.288 -4.539 6.792 1.00 9.60 C ATOM 68 CD1 ILE A 7 1.270 -3.137 4.589 1.00 16.60 C ATOM 69 N ALA A 8 -1.537 -2.160 9.296 1.00 8.69 N ATOM 70 CA ALA A 8 -1.765 -2.445 10.707 1.00 8.47 C ATOM 71 C ALA A 8 -3.242 -2.260 11.069 1.00 7.36 C ATOM 72 O ALA A 8 -3.784 -3.010 11.881 1.00 7.91 O ATOM 73 CB ALA A 8 -0.898 -1.532 11.574 1.00 7.34 C ATOM 74 N ARG A 9 -3.887 -1.260 10.474 1.00 6.74 N ATOM 75 CA ARG A 9 -5.302 -1.002 10.753 1.00 6.45 C ATOM 76 C ARG A 9 -6.167 -2.105 10.155 1.00 5.07 C ATOM 77 O ARG A 9 -7.131 -2.550 10.772 1.00 3.36 O ATOM 78 CB ARG A 9 -5.728 0.362 10.195 1.00 7.61 C ATOM 79 CG ARG A 9 -7.193 0.738 10.505 1.00 8.93 C ATOM 80 CD ARG A 9 -7.501 0.762 12.019 1.00 11.78 C ATOM 81 NE ARG A 9 -8.839 1.297 12.295 1.00 9.57 N ATOM 82 CZ ARG A 9 -9.462 1.221 13.467 1.00 13.56 C ATOM 83 NH1 ARG A 9 -8.881 0.624 14.504 1.00 12.86 N ATOM 84 NH2 ARG A 9 -10.675 1.744 13.606 1.00 10.79 N ATOM 85 N ILE A 10 -5.819 -2.535 8.947 1.00 4.78 N ATOM 86 CA ILE A 10 -6.537 -3.613 8.282 1.00 8.96 C ATOM 87 C ILE A 10 -6.496 -4.850 9.187 1.00 9.01 C ATOM 88 O ILE A 10 -7.508 -5.518 9.402 1.00 7.76 O ATOM 89 CB ILE A 10 -5.878 -3.949 6.921 1.00 10.67 C ATOM 90 CG1 ILE A 10 -6.189 -2.836 5.921 1.00 10.02 C ATOM 91 CG2 ILE A 10 -6.350 -5.308 6.406 1.00 13.08 C ATOM 92 CD1 ILE A 10 -5.522 -3.018 4.582 1.00 14.12 C ATOM 93 N ASN A 11 -5.319 -5.142 9.731 1.00 8.82 N ATOM 94 CA ASN A 11 -5.173 -6.303 10.605 1.00 7.09 C ATOM 95 C ASN A 11 -5.996 -6.143 11.882 1.00 4.82 C ATOM 96 O ASN A 11 -6.619 -7.098 12.334 1.00 5.68 O ATOM 97 CB ASN A 11 -3.696 -6.537 10.952 1.00 6.69 C ATOM 98 CG ASN A 11 -2.878 -6.952 9.749 1.00 8.90 C ATOM 99 OD1 ASN A 11 -3.396 -7.578 8.822 1.00 10.68 O ATOM 100 ND2 ASN A 11 -1.590 -6.621 9.760 1.00 8.45 N ATOM 101 N GLU A 12 -6.010 -4.943 12.458 1.00 6.35 N ATOM 102 CA GLU A 12 -6.785 -4.713 13.681 1.00 7.81 C ATOM 103 C GLU A 12 -8.274 -4.932 13.456 1.00 6.87 C ATOM 104 O GLU A 12 -8.941 -5.555 14.270 1.00 5.39 O ATOM 105 CB GLU A 12 -6.598 -3.289 14.213 1.00 11.09 C ATOM 106 CG GLU A 12 -5.191 -2.936 14.624 1.00 14.81 C ATOM 107 CD GLU A 12 -5.105 -1.570 15.287 1.00 18.47 C ATOM 108 OE1 GLU A 12 -5.980 -0.706 15.028 1.00 17.34 O ATOM 109 OE2 GLU A 12 -4.147 -1.361 16.059 1.00 18.96 O ATOM 110 N LEU A 13 -8.794 -4.396 12.356 1.00 7.83 N ATOM 111 CA LEU A 13 -10.209 -4.531 12.037 1.00 6.95 C ATOM 112 C LEU A 13 -10.558 -5.955 11.621 1.00 6.62 C ATOM 113 O LEU A 13 -11.663 -6.433 11.883 1.00 5.55 O ATOM 114 CB LEU A 13 -10.592 -3.537 10.938 1.00 6.49 C ATOM 115 CG LEU A 13 -10.435 -2.074 11.387 1.00 6.43 C ATOM 116 CD1 LEU A 13 -10.950 -1.123 10.306 1.00 11.27 C ATOM 117 CD2 LEU A 13 -11.204 -1.856 12.674 1.00 6.83 C ATOM 118 N ALA A 14 -9.618 -6.632 10.969 1.00 5.18 N ATOM 119 CA ALA A 14 -9.849 -8.006 10.562 1.00 5.86 C ATOM 120 C ALA A 14 -10.045 -8.831 11.826 1.00 7.37 C ATOM 121 O ALA A 14 -10.897 -9.716 11.873 1.00 9.09 O ATOM 122 CB ALA A 14 -8.656 -8.531 9.760 1.00 6.48 C ATOM 123 N ALA A 15 -9.260 -8.526 12.853 1.00 8.05 N ATOM 124 CA ALA A 15 -9.350 -9.238 14.129 1.00 10.41 C ATOM 125 C ALA A 15 -10.694 -8.954 14.800 1.00 10.50 C ATOM 126 O ALA A 15 -11.308 -9.849 15.370 1.00 10.94 O ATOM 127 CB ALA A 15 -8.210 -8.820 15.051 1.00 8.42 C ATOM 128 N LYS A 16 -11.155 -7.709 14.732 1.00 10.50 N ATOM 129 CA LYS A 16 -12.439 -7.372 15.335 1.00 7.97 C ATOM 130 C LYS A 16 -13.559 -8.099 14.606 1.00 7.43 C ATOM 131 O LYS A 16 -14.524 -8.540 15.226 1.00 8.94 O ATOM 132 CB LYS A 16 -12.686 -5.863 15.291 1.00 7.46 C ATOM 133 CG LYS A 16 -11.713 -5.056 16.138 1.00 12.33 C ATOM 134 CD LYS A 16 -12.206 -3.629 16.310 1.00 14.67 C ATOM 135 CE LYS A 16 -11.259 -2.801 17.173 1.00 15.92 C ATOM 136 NZ LYS A 16 -11.841 -1.455 17.453 1.00 20.93 N ATOM 137 N ALA A 17 -13.429 -8.224 13.288 1.00 6.89 N ATOM 138 CA ALA A 17 -14.434 -8.911 12.478 1.00 10.89 C ATOM 139 C ALA A 17 -14.564 -10.379 12.884 1.00 13.77 C ATOM 140 O ALA A 17 -15.670 -10.892 13.080 1.00 13.90 O ATOM 141 CB ALA A 17 -14.069 -8.807 10.993 1.00 11.22 C ATOM 142 N LYS A 18 -13.428 -11.059 13.000 1.00 13.74 N ATOM 143 CA LYS A 18 -13.430 -12.465 13.391 1.00 14.92 C ATOM 144 C LYS A 18 -13.996 -12.645 14.803 1.00 15.21 C ATOM 145 O LYS A 18 -14.656 -13.639 15.093 1.00 14.71 O ATOM 146 CB LYS A 18 -12.006 -13.024 13.319 1.00 15.57 C ATOM 147 CG LYS A 18 -11.884 -14.474 13.723 1.00 17.22 C ATOM 148 CD LYS A 18 -10.460 -14.965 13.519 1.00 20.05 C ATOM 149 CE LYS A 18 -10.277 -16.358 14.070 1.00 19.29 C ATOM 150 NZ LYS A 18 -10.329 -16.343 15.554 1.00 20.87 N ATOM 151 N ALA A 19 -13.742 -11.676 15.673 1.00 16.10 N ATOM 152 CA ALA A 19 -14.232 -11.740 17.047 1.00 15.78 C ATOM 153 C ALA A 19 -15.705 -11.335 17.160 1.00 16.69 C ATOM 154 O ALA A 19 -16.310 -11.477 18.217 1.00 18.86 O ATOM 155 CB ALA A 19 -13.375 -10.858 17.940 1.00 14.45 C ATOM 156 N GLY A 20 -16.278 -10.832 16.068 1.00 16.20 N ATOM 157 CA GLY A 20 -17.674 -10.424 16.081 1.00 16.63 C ATOM 158 C GLY A 20 -17.954 -9.157 16.877 1.00 16.74 C ATOM 159 O GLY A 20 -19.063 -8.959 17.376 1.00 17.27 O ATOM 160 N VAL A 21 -16.957 -8.288 16.999 1.00 14.45 N ATOM 161 CA VAL A 21 -17.139 -7.049 17.744 1.00 14.75 C ATOM 162 C VAL A 21 -17.019 -5.803 16.872 1.00 15.17 C ATOM 163 O VAL A 21 -17.199 -4.682 17.349 1.00 16.66 O ATOM 164 CB VAL A 21 -16.116 -6.934 18.893 1.00 16.32 C ATOM 165 CG1 VAL A 21 -16.311 -8.071 19.876 1.00 18.51 C ATOM 166 CG2 VAL A 21 -14.702 -6.952 18.336 1.00 17.08 C ATOM 167 N ILE A 22 -16.722 -5.990 15.594 1.00 12.30 N ATOM 168 CA ILE A 22 -16.562 -4.853 14.701 1.00 11.82 C ATOM 169 C ILE A 22 -17.861 -4.052 14.539 1.00 11.64 C ATOM 170 O ILE A 22 -18.936 -4.624 14.368 1.00 9.88 O ATOM 171 CB ILE A 22 -16.040 -5.321 13.328 1.00 11.91 C ATOM 172 CG1 ILE A 22 -15.450 -4.130 12.572 1.00 11.45 C ATOM 173 CG2 ILE A 22 -17.152 -5.984 12.538 1.00 13.63 C ATOM 174 CD1 ILE A 22 -14.600 -4.540 11.390 1.00 11.23 C ATOM 175 N THR A 23 -17.755 -2.727 14.606 1.00 11.39 N ATOM 176 CA THR A 23 -18.930 -1.861 14.472 1.00 13.95 C ATOM 177 C THR A 23 -19.199 -1.571 12.998 1.00 16.37 C ATOM 178 O THR A 23 -18.362 -1.864 12.142 1.00 14.29 O ATOM 179 CB THR A 23 -18.729 -0.508 15.183 1.00 13.62 C ATOM 180 OG1 THR A 23 -17.784 0.282 14.452 1.00 14.55 O ATOM 181 CG2 THR A 23 -18.210 -0.716 16.598 1.00 14.14 C ATOM 182 N GLU A 24 -20.362 -0.991 12.701 1.00 15.23 N ATOM 183 CA GLU A 24 -20.701 -0.655 11.316 1.00 17.64 C ATOM 184 C GLU A 24 -19.757 0.401 10.754 1.00 16.54 C ATOM 185 O GLU A 24 -19.426 0.372 9.568 1.00 16.19 O ATOM 186 CB GLU A 24 -22.140 -0.141 11.217 1.00 20.64 C ATOM 187 CG GLU A 24 -23.199 -1.204 11.422 1.00 23.84 C ATOM 188 CD GLU A 24 -23.153 -2.285 10.363 1.00 28.20 C ATOM 189 OE1 GLU A 24 -23.084 -1.943 9.162 1.00 29.67 O ATOM 190 OE2 GLU A 24 -23.194 -3.480 10.729 1.00 30.15 O ATOM 191 N GLU A 25 -19.325 1.335 11.600 1.00 15.81 N ATOM 192 CA GLU A 25 -18.408 2.381 11.155 1.00 17.07 C ATOM 193 C GLU A 25 -17.057 1.763 10.814 1.00 14.21 C ATOM 194 O GLU A 25 -16.396 2.179 9.865 1.00 13.84 O ATOM 195 CB GLU A 25 -18.221 3.442 12.240 1.00 22.15 C ATOM 196 CG GLU A 25 -19.503 4.144 12.662 1.00 30.33 C ATOM 197 CD GLU A 25 -20.234 4.772 11.492 1.00 34.69 C ATOM 198 OE1 GLU A 25 -19.619 5.600 10.784 1.00 37.93 O ATOM 199 OE2 GLU A 25 -21.422 4.441 11.284 1.00 36.63 O ATOM 200 N GLU A 26 -16.654 0.761 11.590 1.00 12.83 N ATOM 201 CA GLU A 26 -15.381 0.092 11.355 1.00 10.44 C ATOM 202 C GLU A 26 -15.454 -0.776 10.103 1.00 10.78 C ATOM 203 O GLU A 26 -14.472 -0.888 9.383 1.00 10.37 O ATOM 204 CB GLU A 26 -14.974 -0.740 12.583 1.00 9.75 C ATOM 205 CG GLU A 26 -14.685 0.116 13.818 1.00 12.78 C ATOM 206 CD GLU A 26 -14.391 -0.710 15.064 1.00 13.83 C ATOM 207 OE1 GLU A 26 -15.062 -1.736 15.279 1.00 13.52 O ATOM 208 OE2 GLU A 26 -13.492 -0.326 15.835 1.00 16.35 O ATOM 209 N LYS A 27 -16.617 -1.370 9.836 1.00 10.59 N ATOM 210 CA LYS A 27 -16.798 -2.201 8.643 1.00 12.00 C ATOM 211 C LYS A 27 -16.621 -1.345 7.395 1.00 12.98 C ATOM 212 O LYS A 27 -16.000 -1.766 6.421 1.00 15.03 O ATOM 213 CB LYS A 27 -18.199 -2.820 8.608 1.00 14.25 C ATOM 214 CG LYS A 27 -18.446 -3.926 9.616 1.00 15.91 C ATOM 215 CD LYS A 27 -19.878 -4.440 9.483 1.00 22.26 C ATOM 216 CE LYS A 27 -20.199 -5.513 10.505 1.00 25.25 C ATOM 217 NZ LYS A 27 -21.612 -5.989 10.366 1.00 27.05 N ATOM 218 N ALA A 28 -17.189 -0.144 7.430 1.00 13.99 N ATOM 219 CA ALA A 28 -17.086 0.789 6.312 1.00 13.15 C ATOM 220 C ALA A 28 -15.626 1.197 6.170 1.00 11.30 C ATOM 221 O ALA A 28 -15.097 1.282 5.064 1.00 10.98 O ATOM 222 CB ALA A 28 -17.949 2.013 6.571 1.00 10.83 C ATOM 223 N GLU A 29 -14.980 1.453 7.301 1.00 10.90 N ATOM 224 CA GLU A 29 -13.577 1.836 7.288 1.00 12.15 C ATOM 225 C GLU A 29 -12.763 0.705 6.662 1.00 11.17 C ATOM 226 O GLU A 29 -11.896 0.948 5.822 1.00 12.64 O ATOM 227 CB GLU A 29 -13.063 2.093 8.708 1.00 14.64 C ATOM 228 CG GLU A 29 -11.700 2.786 8.745 1.00 16.64 C ATOM 229 CD GLU A 29 -11.042 2.747 10.118 1.00 16.97 C ATOM 230 OE1 GLU A 29 -11.760 2.666 11.135 1.00 19.05 O ATOM 231 OE2 GLU A 29 -9.799 2.816 10.181 1.00 18.62 O ATOM 232 N GLN A 30 -13.044 -0.530 7.072 1.00 12.46 N ATOM 233 CA GLN A 30 -12.318 -1.689 6.547 1.00 12.87 C ATOM 234 C GLN A 30 -12.514 -1.830 5.043 1.00 13.58 C ATOM 235 O GLN A 30 -11.576 -2.159 4.323 1.00 12.95 O ATOM 236 CB GLN A 30 -12.777 -2.980 7.233 1.00 15.47 C ATOM 237 CG GLN A 30 -12.021 -4.234 6.763 1.00 15.17 C ATOM 238 CD GLN A 30 -10.584 -4.275 7.256 1.00 17.98 C ATOM 239 OE1 GLN A 30 -9.938 -3.239 7.395 1.00 21.27 O ATOM 240 NE2 GLN A 30 -10.072 -5.480 7.509 1.00 19.50 N ATOM 241 N GLN A 31 -13.736 -1.597 4.570 1.00 14.92 N ATOM 242 CA GLN A 31 -14.011 -1.705 3.139 1.00 17.77 C ATOM 243 C GLN A 31 -13.189 -0.700 2.353 1.00 17.20 C ATOM 244 O GLN A 31 -12.619 -1.033 1.312 1.00 18.41 O ATOM 245 CB GLN A 31 -15.501 -1.500 2.854 1.00 22.11 C ATOM 246 CG GLN A 31 -16.340 -2.731 3.142 1.00 28.44 C ATOM 247 CD GLN A 31 -15.837 -3.955 2.394 1.00 32.36 C ATOM 248 OE1 GLN A 31 -15.821 -3.981 1.162 1.00 36.53 O ATOM 249 NE2 GLN A 31 -15.419 -4.976 3.139 1.00 35.45 N ATOM 250 N LYS A 32 -13.128 0.530 2.852 1.00 16.89 N ATOM 251 CA LYS A 32 -12.351 1.570 2.195 1.00 18.70 C ATOM 252 C LYS A 32 -10.879 1.174 2.160 1.00 18.42 C ATOM 253 O LYS A 32 -10.211 1.349 1.144 1.00 15.60 O ATOM 254 CB LYS A 32 -12.502 2.907 2.925 1.00 22.45 C ATOM 255 CG LYS A 32 -13.791 3.650 2.627 1.00 27.07 C ATOM 256 CD LYS A 32 -13.784 5.040 3.262 1.00 32.69 C ATOM 257 CE LYS A 32 -12.653 5.912 2.713 1.00 34.91 C ATOM 258 NZ LYS A 32 -12.558 7.229 3.418 1.00 37.38 N ATOM 259 N LEU A 33 -10.374 0.636 3.269 1.00 15.67 N ATOM 260 CA LEU A 33 -8.972 0.218 3.324 1.00 15.79 C ATOM 261 C LEU A 33 -8.686 -0.963 2.399 1.00 14.95 C ATOM 262 O LEU A 33 -7.623 -1.023 1.778 1.00 16.06 O ATOM 263 CB LEU A 33 -8.573 -0.151 4.756 1.00 14.89 C ATOM 264 CG LEU A 33 -8.549 0.989 5.779 1.00 17.23 C ATOM 265 CD1 LEU A 33 -8.303 0.406 7.162 1.00 15.80 C ATOM 266 CD2 LEU A 33 -7.466 2.002 5.423 1.00 16.95 C ATOM 267 N ARG A 34 -9.629 -1.899 2.318 1.00 15.90 N ATOM 268 CA ARG A 34 -9.474 -3.069 1.463 1.00 19.45 C ATOM 269 C ARG A 34 -9.424 -2.641 -0.002 1.00 19.53 C ATOM 270 O ARG A 34 -8.774 -3.287 -0.820 1.00 17.64 O ATOM 271 CB ARG A 34 -10.624 -4.059 1.684 1.00 21.59 C ATOM 272 CG ARG A 34 -10.527 -4.856 2.990 1.00 24.80 C ATOM 273 CD ARG A 34 -11.782 -5.692 3.251 1.00 23.21 C ATOM 274 NE ARG A 34 -11.948 -6.776 2.287 1.00 25.28 N ATOM 275 CZ ARG A 34 -11.483 -8.013 2.449 1.00 26.05 C ATOM 276 NH1 ARG A 34 -10.819 -8.345 3.546 1.00 23.75 N ATOM 277 NH2 ARG A 34 -11.673 -8.922 1.502 1.00 27.03 N ATOM 278 N GLN A 35 -10.114 -1.553 -0.330 1.00 20.92 N ATOM 279 CA GLN A 35 -10.107 -1.050 -1.698 1.00 21.78 C ATOM 280 C GLN A 35 -8.777 -0.353 -1.946 1.00 20.79 C ATOM 281 O GLN A 35 -8.201 -0.478 -3.022 1.00 21.07 O ATOM 282 CB GLN A 35 -11.274 -0.083 -1.926 1.00 24.43 C ATOM 283 CG GLN A 35 -12.623 -0.780 -2.026 1.00 30.03 C ATOM 284 CD GLN A 35 -12.664 -1.802 -3.152 1.00 33.60 C ATOM 285 OE1 GLN A 35 -12.434 -1.468 -4.317 1.00 35.93 O ATOM 286 NE2 GLN A 35 -12.960 -3.053 -2.811 1.00 34.49 N ATOM 287 N GLU A 36 -8.285 0.372 -0.944 1.00 18.22 N ATOM 288 CA GLU A 36 -7.003 1.054 -1.071 1.00 19.36 C ATOM 289 C GLU A 36 -5.889 0.015 -1.196 1.00 18.94 C ATOM 290 O GLU A 36 -4.912 0.219 -1.919 1.00 17.25 O ATOM 291 CB GLU A 36 -6.731 1.939 0.149 1.00 21.66 C ATOM 292 CG GLU A 36 -7.528 3.228 0.191 1.00 26.05 C ATOM 293 CD GLU A 36 -7.289 4.008 1.471 1.00 28.65 C ATOM 294 OE1 GLU A 36 -6.110 4.166 1.859 1.00 29.74 O ATOM 295 OE2 GLU A 36 -8.276 4.468 2.086 1.00 32.22 O ATOM 296 N TYR A 37 -6.040 -1.100 -0.490 1.00 17.65 N ATOM 297 CA TYR A 37 -5.039 -2.162 -0.537 1.00 19.76 C ATOM 298 C TYR A 37 -4.981 -2.810 -1.926 1.00 20.03 C ATOM 299 O TYR A 37 -3.902 -3.004 -2.480 1.00 18.71 O ATOM 300 CB TYR A 37 -5.345 -3.231 0.516 1.00 19.98 C ATOM 301 CG TYR A 37 -4.246 -4.260 0.659 1.00 21.68 C ATOM 302 CD1 TYR A 37 -4.173 -5.358 -0.193 1.00 22.67 C ATOM 303 CD2 TYR A 37 -3.246 -4.106 1.614 1.00 21.42 C ATOM 304 CE1 TYR A 37 -3.122 -6.281 -0.098 1.00 25.41 C ATOM 305 CE2 TYR A 37 -2.193 -5.017 1.718 1.00 24.77 C ATOM 306 CZ TYR A 37 -2.137 -6.103 0.857 1.00 26.67 C ATOM 307 OH TYR A 37 -1.095 -6.999 0.946 1.00 30.17 O ATOM 308 N LEU A 38 -6.147 -3.142 -2.474 1.00 19.97 N ATOM 309 CA LEU A 38 -6.232 -3.768 -3.789 1.00 23.04 C ATOM 310 C LEU A 38 -5.703 -2.847 -4.882 1.00 22.62 C ATOM 311 O LEU A 38 -5.114 -3.307 -5.857 1.00 24.17 O ATOM 312 CB LEU A 38 -7.680 -4.165 -4.086 1.00 23.82 C ATOM 313 CG LEU A 38 -8.239 -5.296 -3.215 1.00 25.93 C ATOM 314 CD1 LEU A 38 -9.743 -5.411 -3.399 1.00 27.82 C ATOM 315 CD2 LEU A 38 -7.557 -6.604 -3.580 1.00 27.42 C ATOM 316 N LYS A 39 -5.912 -1.546 -4.708 1.00 23.12 N ATOM 317 CA LYS A 39 -5.449 -0.552 -5.668 1.00 23.89 C ATOM 318 C LYS A 39 -3.924 -0.500 -5.650 1.00 23.91 C ATOM 319 O LYS A 39 -3.275 -0.485 -6.699 1.00 22.24 O ATOM 320 CB LYS A 39 -6.023 0.824 -5.315 1.00 27.86 C ATOM 321 CG LYS A 39 -5.636 1.945 -6.276 1.00 29.78 C ATOM 322 CD LYS A 39 -6.251 3.264 -5.829 1.00 33.97 C ATOM 323 CE LYS A 39 -5.875 4.409 -6.756 1.00 36.75 C ATOM 324 NZ LYS A 39 -6.503 5.685 -6.319 1.00 38.02 N ATOM 325 N GLY A 40 -3.357 -0.471 -4.448 1.00 21.96 N ATOM 326 CA GLY A 40 -1.912 -0.432 -4.314 1.00 20.55 C ATOM 327 C GLY A 40 -1.302 -1.741 -4.766 1.00 21.44 C ATOM 328 O GLY A 40 -0.130 -1.800 -5.140 1.00 21.35 O ATOM 329 N PHE A 41 -2.102 -2.802 -4.736 1.00 21.43 N ATOM 330 CA PHE A 41 -1.621 -4.110 -5.147 1.00 24.36 C ATOM 331 C PHE A 41 -1.589 -4.255 -6.670 1.00 25.55 C ATOM 332 O PHE A 41 -0.627 -4.793 -7.224 1.00 24.20 O ATOM 333 CB PHE A 41 -2.487 -5.211 -4.539 1.00 25.39 C ATOM 334 CG PHE A 41 -1.969 -6.597 -4.804 1.00 28.20 C ATOM 335 CD1 PHE A 41 -2.462 -7.352 -5.861 1.00 28.56 C ATOM 336 CD2 PHE A 41 -0.964 -7.139 -4.008 1.00 29.88 C ATOM 337 CE1 PHE A 41 -1.960 -8.626 -6.127 1.00 29.61 C ATOM 338 CE2 PHE A 41 -0.454 -8.410 -4.263 1.00 30.14 C ATOM 339 CZ PHE A 41 -0.955 -9.156 -5.325 1.00 31.89 C ATOM 340 N ARG A 42 -2.640 -3.786 -7.339 1.00 25.28 N ATOM 341 CA ARG A 42 -2.705 -3.860 -8.798 1.00 26.78 C ATOM 342 C ARG A 42 -1.566 -3.032 -9.382 1.00 26.41 C ATOM 343 O ARG A 42 -0.949 -3.408 -10.380 1.00 26.91 O ATOM 344 CB ARG A 42 -4.049 -3.327 -9.315 1.00 25.03 C ATOM 345 CG ARG A 42 -5.262 -4.152 -8.902 1.00 28.18 C ATOM 346 CD ARG A 42 -6.490 -3.826 -9.761 1.00 28.90 C ATOM 347 NE ARG A 42 -6.972 -2.460 -9.572 1.00 30.10 N ATOM 348 CZ ARG A 42 -7.701 -2.051 -8.537 1.00 33.32 C ATOM 349 NH1 ARG A 42 -8.050 -2.900 -7.580 1.00 33.85 N ATOM 350 NH2 ARG A 42 -8.082 -0.783 -8.457 1.00 33.48 N ATOM 351 N SER A 43 -1.294 -1.901 -8.745 1.00 26.83 N ATOM 352 CA SER A 43 -0.229 -1.011 -9.175 1.00 28.12 C ATOM 353 C SER A 43 1.115 -1.722 -9.059 1.00 30.09 C ATOM 354 O SER A 43 1.954 -1.637 -9.957 1.00 28.84 O ATOM 355 CB SER A 43 -0.231 0.251 -8.314 1.00 27.98 C ATOM 356 OG SER A 43 0.831 1.113 -8.674 1.00 30.88 O ATOM 357 N SER A 44 1.314 -2.425 -7.948 1.00 30.10 N ATOM 358 CA SER A 44 2.554 -3.157 -7.716 1.00 30.60 C ATOM 359 C SER A 44 2.694 -4.332 -8.680 1.00 32.12 C ATOM 360 O SER A 44 3.800 -4.668 -9.100 1.00 31.39 O ATOM 361 CB SER A 44 2.612 -3.660 -6.270 1.00 28.95 C ATOM 362 OG SER A 44 2.721 -2.575 -5.363 1.00 24.64 O HETATM 363 N MSE A 45 1.573 -4.956 -9.025 1.00 34.91 N HETATM 364 CA MSE A 45 1.593 -6.084 -9.948 1.00 38.62 C HETATM 365 C MSE A 45 1.993 -5.629 -11.343 1.00 41.80 C HETATM 366 O MSE A 45 2.471 -6.421 -12.156 1.00 42.02 O HETATM 367 CB MSE A 45 0.219 -6.752 -10.009 1.00 38.92 C HETATM 368 CG MSE A 45 -0.103 -7.605 -8.796 1.00 39.59 C HETATM 369 SE MSE A 45 1.214 -8.993 -8.535 1.00 43.05 HETATM 370 CE MSE A 45 2.303 -8.126 -7.189 1.00 40.31 C ATOM 371 N LYS A 46 1.792 -4.345 -11.614 1.00 44.86 N ATOM 372 CA LYS A 46 2.128 -3.785 -12.910 1.00 49.39 C ATOM 373 C LYS A 46 3.634 -3.875 -13.148 1.00 51.93 C ATOM 374 O LYS A 46 4.076 -4.129 -14.268 1.00 52.48 O ATOM 375 CB LYS A 46 1.653 -2.330 -12.985 1.00 49.95 C ATOM 376 CG LYS A 46 1.659 -1.729 -14.382 1.00 51.11 C ATOM 377 CD LYS A 46 0.711 -0.540 -14.468 1.00 51.23 C ATOM 378 CE LYS A 46 -0.732 -0.970 -14.233 1.00 51.85 C ATOM 379 NZ LYS A 46 -1.687 0.169 -14.333 1.00 52.64 N ATOM 380 N ASN A 47 4.419 -3.685 -12.091 1.00 54.33 N ATOM 381 CA ASN A 47 5.871 -3.752 -12.213 1.00 57.79 C ATOM 382 C ASN A 47 6.453 -5.122 -11.877 1.00 58.85 C ATOM 383 O ASN A 47 7.651 -5.347 -12.045 1.00 59.93 O ATOM 384 CB ASN A 47 6.537 -2.676 -11.346 1.00 59.28 C ATOM 385 CG ASN A 47 5.912 -2.561 -9.975 1.00 61.12 C ATOM 386 OD1 ASN A 47 4.754 -2.167 -9.841 1.00 62.37 O ATOM 387 ND2 ASN A 47 6.676 -2.906 -8.945 1.00 62.96 N ATOM 388 N THR A 48 5.613 -6.034 -11.401 1.00 60.29 N ATOM 389 CA THR A 48 6.071 -7.381 -11.080 1.00 61.26 C ATOM 390 C THR A 48 5.861 -8.234 -12.321 1.00 62.14 C ATOM 391 O THR A 48 6.512 -9.261 -12.509 1.00 62.04 O ATOM 392 CB THR A 48 5.268 -8.001 -9.922 1.00 61.64 C ATOM 393 OG1 THR A 48 3.888 -8.095 -10.293 1.00 61.64 O ATOM 394 CG2 THR A 48 5.401 -7.153 -8.669 1.00 62.01 C ATOM 395 N LEU A 49 4.940 -7.785 -13.166 1.00 62.83 N ATOM 396 CA LEU A 49 4.610 -8.472 -14.405 1.00 64.15 C ATOM 397 C LEU A 49 5.823 -8.419 -15.330 1.00 65.54 C ATOM 398 O LEU A 49 6.086 -9.354 -16.086 1.00 65.45 O ATOM 399 CB LEU A 49 3.410 -7.785 -15.064 1.00 62.99 C ATOM 400 CG LEU A 49 2.491 -8.609 -15.969 1.00 62.68 C ATOM 401 CD1 LEU A 49 1.302 -7.753 -16.373 1.00 62.09 C ATOM 402 CD2 LEU A 49 3.244 -9.099 -17.191 1.00 62.75 C ATOM 403 N LYS A 50 6.562 -7.316 -15.250 1.00 66.96 N ATOM 404 CA LYS A 50 7.755 -7.113 -16.064 1.00 68.38 C ATOM 405 C LYS A 50 8.923 -7.978 -15.593 1.00 69.17 C ATOM 406 O LYS A 50 9.961 -7.462 -15.181 1.00 69.32 O ATOM 407 CB LYS A 50 8.167 -5.638 -16.030 1.00 68.51 C ATOM 408 CG LYS A 50 7.167 -4.693 -16.674 1.00 68.87 C ATOM 409 CD LYS A 50 7.620 -3.249 -16.542 1.00 69.27 C ATOM 410 CE LYS A 50 6.723 -2.308 -17.331 1.00 69.96 C ATOM 411 NZ LYS A 50 6.787 -2.571 -18.797 1.00 68.97 N ATOM 412 N SER A 51 8.751 -9.293 -15.662 1.00 70.55 N ATOM 413 CA SER A 51 9.794 -10.220 -15.243 1.00 71.74 C ATOM 414 C SER A 51 9.539 -11.611 -15.813 1.00 73.14 C ATOM 415 O SER A 51 8.405 -11.957 -16.151 1.00 72.93 O ATOM 416 CB SER A 51 9.857 -10.292 -13.715 1.00 71.55 C ATOM 417 OG SER A 51 10.870 -11.187 -13.287 1.00 70.91 O ATOM 418 N VAL A 52 10.603 -12.401 -15.919 1.00 74.58 N ATOM 419 CA VAL A 52 10.511 -13.756 -16.450 1.00 75.49 C ATOM 420 C VAL A 52 10.302 -14.779 -15.335 1.00 76.02 C ATOM 421 O VAL A 52 9.456 -14.596 -14.457 1.00 76.55 O ATOM 422 CB VAL A 52 11.790 -14.133 -17.231 1.00 75.54 C ATOM 423 CG1 VAL A 52 13.001 -14.040 -16.318 1.00 75.55 C ATOM 424 CG2 VAL A 52 11.659 -15.536 -17.803 1.00 75.62 C TER 426 VAL A 52 HETATM 426 N MSE B 1 5.395 -17.131 -2.771 1.00 31.87 N HETATM 427 CA MSE B 1 4.767 -16.354 -1.666 1.00 30.85 C HETATM 428 C MSE B 1 5.657 -16.417 -0.431 1.00 26.47 C HETATM 429 O MSE B 1 6.218 -17.465 -0.124 1.00 24.30 O HETATM 430 CB MSE B 1 3.388 -16.928 -1.351 1.00 35.84 C HETATM 431 CG MSE B 1 2.434 -16.873 -2.529 1.00 43.69 C HETATM 432 SE MSE B 1 1.940 -15.056 -2.985 1.00 54.55 HETATM 433 CE MSE B 1 0.359 -14.953 -1.861 1.00 49.12 C ATOM 434 N ILE B 2 5.794 -15.292 0.266 1.00 23.51 N ATOM 435 CA ILE B 2 6.639 -15.238 1.456 1.00 20.79 C ATOM 436 C ILE B 2 6.194 -16.187 2.565 1.00 16.88 C ATOM 437 O ILE B 2 5.027 -16.559 2.659 1.00 16.55 O ATOM 438 CB ILE B 2 6.714 -13.814 2.034 1.00 20.16 C ATOM 439 CG1 ILE B 2 5.313 -13.287 2.316 1.00 18.91 C ATOM 440 CG2 ILE B 2 7.456 -12.904 1.075 1.00 22.76 C ATOM 441 CD1 ILE B 2 5.313 -11.965 3.039 1.00 23.41 C ATOM 442 N SER B 3 7.146 -16.566 3.409 1.00 15.78 N ATOM 443 CA SER B 3 6.897 -17.483 4.514 1.00 12.87 C ATOM 444 C SER B 3 5.931 -16.904 5.543 1.00 12.99 C ATOM 445 O SER B 3 5.743 -15.685 5.620 1.00 11.15 O ATOM 446 CB SER B 3 8.214 -17.810 5.210 1.00 13.67 C ATOM 447 OG SER B 3 8.726 -16.638 5.828 1.00 11.75 O ATOM 448 N ASN B 4 5.327 -17.787 6.333 1.00 11.23 N ATOM 449 CA ASN B 4 4.398 -17.365 7.367 1.00 14.56 C ATOM 450 C ASN B 4 5.148 -16.511 8.384 1.00 12.39 C ATOM 451 O ASN B 4 4.613 -15.523 8.881 1.00 10.17 O ATOM 452 CB ASN B 4 3.766 -18.583 8.060 1.00 15.78 C ATOM 453 CG ASN B 4 2.868 -19.381 7.134 1.00 19.23 C ATOM 454 OD1 ASN B 4 2.012 -18.819 6.448 1.00 18.24 O ATOM 455 ND2 ASN B 4 3.049 -20.701 7.119 1.00 19.97 N ATOM 456 N ALA B 5 6.390 -16.892 8.681 1.00 11.68 N ATOM 457 CA ALA B 5 7.217 -16.150 9.634 1.00 12.96 C ATOM 458 C ALA B 5 7.472 -14.711 9.178 1.00 10.20 C ATOM 459 O ALA B 5 7.522 -13.795 10.005 1.00 8.62 O ATOM 460 CB ALA B 5 8.554 -16.874 9.856 1.00 12.13 C ATOM 461 N LYS B 6 7.653 -14.507 7.875 1.00 7.70 N ATOM 462 CA LYS B 6 7.882 -13.157 7.372 1.00 7.37 C ATOM 463 C LYS B 6 6.586 -12.355 7.369 1.00 5.73 C ATOM 464 O LYS B 6 6.611 -11.144 7.542 1.00 7.04 O ATOM 465 CB LYS B 6 8.505 -13.181 5.974 1.00 9.03 C ATOM 466 CG LYS B 6 9.998 -13.511 5.981 1.00 12.88 C ATOM 467 CD LYS B 6 10.579 -13.488 4.571 1.00 17.77 C ATOM 468 CE LYS B 6 12.027 -13.970 4.552 1.00 21.59 C ATOM 469 NZ LYS B 6 12.895 -13.168 5.451 1.00 24.97 N ATOM 470 N ILE B 7 5.456 -13.029 7.181 1.00 4.86 N ATOM 471 CA ILE B 7 4.171 -12.341 7.207 1.00 5.37 C ATOM 472 C ILE B 7 3.993 -11.785 8.620 1.00 6.88 C ATOM 473 O ILE B 7 3.568 -10.643 8.806 1.00 6.03 O ATOM 474 CB ILE B 7 3.000 -13.305 6.856 1.00 8.35 C ATOM 475 CG1 ILE B 7 3.053 -13.632 5.358 1.00 8.45 C ATOM 476 CG2 ILE B 7 1.646 -12.661 7.213 1.00 6.71 C ATOM 477 CD1 ILE B 7 2.100 -14.717 4.925 1.00 11.17 C ATOM 478 N ALA B 8 4.357 -12.593 9.613 1.00 6.39 N ATOM 479 CA ALA B 8 4.251 -12.191 11.010 1.00 7.35 C ATOM 480 C ALA B 8 5.121 -10.962 11.287 1.00 7.28 C ATOM 481 O ALA B 8 4.680 -10.016 11.942 1.00 7.63 O ATOM 482 CB ALA B 8 4.664 -13.355 11.925 1.00 7.02 C ATOM 483 N ARG B 9 6.349 -10.968 10.775 1.00 7.76 N ATOM 484 CA ARG B 9 7.260 -9.846 10.982 1.00 7.50 C ATOM 485 C ARG B 9 6.706 -8.586 10.335 1.00 8.55 C ATOM 486 O ARG B 9 6.808 -7.500 10.890 1.00 7.15 O ATOM 487 CB ARG B 9 8.647 -10.150 10.412 1.00 8.77 C ATOM 488 CG ARG B 9 9.673 -9.051 10.685 1.00 5.15 C ATOM 489 CD ARG B 9 9.802 -8.756 12.178 1.00 3.47 C ATOM 490 NE ARG B 9 10.923 -7.862 12.450 1.00 7.39 N ATOM 491 CZ ARG B 9 11.152 -7.281 13.624 1.00 9.08 C ATOM 492 NH1 ARG B 9 10.330 -7.496 14.644 1.00 10.72 N ATOM 493 NH2 ARG B 9 12.208 -6.492 13.775 1.00 8.82 N ATOM 494 N ILE B 10 6.129 -8.734 9.151 1.00 9.11 N ATOM 495 CA ILE B 10 5.533 -7.597 8.469 1.00 9.02 C ATOM 496 C ILE B 10 4.430 -7.000 9.346 1.00 7.83 C ATOM 497 O ILE B 10 4.334 -5.782 9.496 1.00 9.68 O ATOM 498 CB ILE B 10 4.937 -8.029 7.115 1.00 8.32 C ATOM 499 CG1 ILE B 10 6.060 -8.183 6.092 1.00 8.27 C ATOM 500 CG2 ILE B 10 3.908 -7.010 6.629 1.00 10.75 C ATOM 501 CD1 ILE B 10 5.629 -8.865 4.830 1.00 11.55 C ATOM 502 N ASN B 11 3.607 -7.862 9.932 1.00 5.92 N ATOM 503 CA ASN B 11 2.519 -7.396 10.783 1.00 7.42 C ATOM 504 C ASN B 11 3.066 -6.730 12.044 1.00 7.77 C ATOM 505 O ASN B 11 2.541 -5.707 12.493 1.00 8.37 O ATOM 506 CB ASN B 11 1.578 -8.558 11.142 1.00 8.46 C ATOM 507 CG ASN B 11 0.867 -9.129 9.923 1.00 9.75 C ATOM 508 OD1 ASN B 11 0.725 -8.452 8.904 1.00 10.49 O ATOM 509 ND2 ASN B 11 0.410 -10.373 10.026 1.00 10.61 N ATOM 510 N GLU B 12 4.129 -7.304 12.597 1.00 7.13 N ATOM 511 CA GLU B 12 4.771 -6.752 13.792 1.00 8.65 C ATOM 512 C GLU B 12 5.283 -5.334 13.544 1.00 8.18 C ATOM 513 O GLU B 12 5.030 -4.420 14.330 1.00 7.64 O ATOM 514 CB GLU B 12 5.957 -7.630 14.214 1.00 10.04 C ATOM 515 CG GLU B 12 5.607 -8.764 15.168 1.00 13.78 C ATOM 516 CD GLU B 12 6.778 -9.711 15.421 1.00 13.56 C ATOM 517 OE1 GLU B 12 7.939 -9.283 15.274 1.00 10.48 O ATOM 518 OE2 GLU B 12 6.534 -10.885 15.778 1.00 18.49 O ATOM 519 N LEU B 13 6.025 -5.166 12.455 1.00 7.35 N ATOM 520 CA LEU B 13 6.582 -3.869 12.111 1.00 9.71 C ATOM 521 C LEU B 13 5.492 -2.874 11.721 1.00 8.09 C ATOM 522 O LEU B 13 5.619 -1.676 11.984 1.00 9.05 O ATOM 523 CB LEU B 13 7.612 -4.017 10.983 1.00 9.74 C ATOM 524 CG LEU B 13 8.876 -4.791 11.385 1.00 10.62 C ATOM 525 CD1 LEU B 13 9.816 -4.891 10.187 1.00 11.86 C ATOM 526 CD2 LEU B 13 9.574 -4.091 12.560 1.00 7.97 C ATOM 527 N ALA B 14 4.424 -3.369 11.102 1.00 9.18 N ATOM 528 CA ALA B 14 3.307 -2.512 10.712 1.00 7.31 C ATOM 529 C ALA B 14 2.694 -1.931 11.979 1.00 8.98 C ATOM 530 O ALA B 14 2.329 -0.758 12.021 1.00 11.02 O ATOM 531 CB ALA B 14 2.267 -3.317 9.955 1.00 9.07 C ATOM 532 N ALA B 15 2.595 -2.760 13.014 1.00 8.92 N ATOM 533 CA ALA B 15 2.033 -2.337 14.298 1.00 10.03 C ATOM 534 C ALA B 15 2.899 -1.254 14.933 1.00 10.01 C ATOM 535 O ALA B 15 2.387 -0.281 15.486 1.00 10.35 O ATOM 536 CB ALA B 15 1.916 -3.530 15.237 1.00 9.80 C ATOM 537 N LYS B 16 4.214 -1.424 14.853 1.00 12.13 N ATOM 538 CA LYS B 16 5.145 -0.439 15.403 1.00 11.13 C ATOM 539 C LYS B 16 5.049 0.872 14.635 1.00 13.50 C ATOM 540 O LYS B 16 5.217 1.954 15.207 1.00 15.16 O ATOM 541 CB LYS B 16 6.582 -0.971 15.347 1.00 10.33 C ATOM 542 CG LYS B 16 6.860 -2.065 16.365 1.00 10.49 C ATOM 543 CD LYS B 16 8.344 -2.383 16.457 1.00 12.27 C ATOM 544 CE LYS B 16 8.631 -3.285 17.654 1.00 16.03 C ATOM 545 NZ LYS B 16 10.078 -3.602 17.772 1.00 17.91 N ATOM 546 N ALA B 17 4.791 0.775 13.334 1.00 12.09 N ATOM 547 CA ALA B 17 4.659 1.963 12.501 1.00 11.20 C ATOM 548 C ALA B 17 3.403 2.738 12.903 1.00 14.35 C ATOM 549 O ALA B 17 3.436 3.958 13.079 1.00 14.33 O ATOM 550 CB ALA B 17 4.585 1.566 11.025 1.00 13.41 C ATOM 551 N LYS B 18 2.292 2.027 13.052 1.00 13.96 N ATOM 552 CA LYS B 18 1.038 2.663 13.433 1.00 16.36 C ATOM 553 C LYS B 18 1.119 3.258 14.839 1.00 17.17 C ATOM 554 O LYS B 18 0.503 4.286 15.123 1.00 16.67 O ATOM 555 CB LYS B 18 -0.104 1.649 13.359 1.00 15.24 C ATOM 556 CG LYS B 18 -1.471 2.213 13.700 1.00 19.88 C ATOM 557 CD LYS B 18 -2.562 1.193 13.410 1.00 18.54 C ATOM 558 CE LYS B 18 -3.922 1.696 13.860 1.00 21.84 C ATOM 559 NZ LYS B 18 -3.988 1.831 15.337 1.00 22.75 N ATOM 560 N ALA B 19 1.884 2.613 15.715 1.00 14.58 N ATOM 561 CA ALA B 19 2.035 3.090 17.085 1.00 16.01 C ATOM 562 C ALA B 19 3.055 4.222 17.176 1.00 15.84 C ATOM 563 O ALA B 19 3.268 4.787 18.248 1.00 16.09 O ATOM 564 CB ALA B 19 2.445 1.942 17.998 1.00 12.77 C ATOM 565 N GLY B 20 3.687 4.530 16.048 1.00 14.91 N ATOM 566 CA GLY B 20 4.666 5.600 15.989 1.00 16.62 C ATOM 567 C GLY B 20 5.980 5.349 16.698 1.00 17.67 C ATOM 568 O GLY B 20 6.661 6.294 17.093 1.00 17.06 O ATOM 569 N VAL B 21 6.356 4.085 16.848 1.00 18.05 N ATOM 570 CA VAL B 21 7.598 3.750 17.536 1.00 20.35 C ATOM 571 C VAL B 21 8.612 3.007 16.661 1.00 20.18 C ATOM 572 O VAL B 21 9.666 2.593 17.141 1.00 23.14 O ATOM 573 CB VAL B 21 7.307 2.897 18.789 1.00 19.93 C ATOM 574 CG1 VAL B 21 8.559 2.737 19.626 1.00 24.34 C ATOM 575 CG2 VAL B 21 6.213 3.550 19.611 1.00 23.99 C ATOM 576 N ILE B 22 8.311 2.846 15.380 1.00 20.32 N ATOM 577 CA ILE B 22 9.223 2.128 14.495 1.00 19.08 C ATOM 578 C ILE B 22 10.528 2.901 14.274 1.00 20.54 C ATOM 579 O ILE B 22 10.515 4.119 14.093 1.00 20.42 O ATOM 580 CB ILE B 22 8.547 1.821 13.133 1.00 18.99 C ATOM 581 CG1 ILE B 22 9.397 0.827 12.346 1.00 16.80 C ATOM 582 CG2 ILE B 22 8.360 3.097 12.328 1.00 15.60 C ATOM 583 CD1 ILE B 22 8.706 0.292 11.110 1.00 19.56 C ATOM 584 N THR B 23 11.652 2.192 14.300 1.00 19.89 N ATOM 585 CA THR B 23 12.953 2.832 14.106 1.00 21.69 C ATOM 586 C THR B 23 13.334 2.899 12.626 1.00 22.05 C ATOM 587 O THR B 23 12.684 2.286 11.776 1.00 18.76 O ATOM 588 CB THR B 23 14.067 2.076 14.862 1.00 21.03 C ATOM 589 OG1 THR B 23 14.264 0.785 14.267 1.00 23.09 O ATOM 590 CG2 THR B 23 13.687 1.893 16.327 1.00 21.38 C ATOM 591 N GLU B 24 14.387 3.650 12.319 1.00 21.42 N ATOM 592 CA GLU B 24 14.843 3.766 10.937 1.00 21.84 C ATOM 593 C GLU B 24 15.288 2.405 10.415 1.00 19.23 C ATOM 594 O GLU B 24 14.980 2.038 9.279 1.00 20.28 O ATOM 595 CB GLU B 24 16.001 4.763 10.827 1.00 23.74 C ATOM 596 CG GLU B 24 15.582 6.221 10.855 1.00 26.36 C ATOM 597 CD GLU B 24 14.636 6.573 9.723 1.00 29.82 C ATOM 598 OE1 GLU B 24 14.925 6.189 8.569 1.00 33.03 O ATOM 599 OE2 GLU B 24 13.608 7.233 9.983 1.00 30.37 O ATOM 600 N GLU B 25 16.007 1.652 11.242 1.00 18.11 N ATOM 601 CA GLU B 25 16.465 0.331 10.829 1.00 19.61 C ATOM 602 C GLU B 25 15.274 -0.594 10.589 1.00 18.45 C ATOM 603 O GLU B 25 15.233 -1.318 9.594 1.00 19.43 O ATOM 604 CB GLU B 25 17.397 -0.277 11.877 1.00 22.25 C ATOM 605 CG GLU B 25 18.685 0.512 12.076 1.00 28.75 C ATOM 606 CD GLU B 25 19.777 -0.306 12.736 1.00 33.05 C ATOM 607 OE1 GLU B 25 19.543 -0.846 13.841 1.00 35.51 O ATOM 608 OE2 GLU B 25 20.874 -0.407 12.145 1.00 36.48 O ATOM 609 N GLU B 26 14.305 -0.574 11.499 1.00 16.70 N ATOM 610 CA GLU B 26 13.118 -1.409 11.331 1.00 16.23 C ATOM 611 C GLU B 26 12.388 -0.988 10.054 1.00 14.42 C ATOM 612 O GLU B 26 11.843 -1.827 9.346 1.00 14.84 O ATOM 613 CB GLU B 26 12.198 -1.290 12.555 1.00 14.14 C ATOM 614 CG GLU B 26 12.822 -1.859 13.832 1.00 16.76 C ATOM 615 CD GLU B 26 12.002 -1.578 15.085 1.00 18.58 C ATOM 616 OE1 GLU B 26 11.481 -0.450 15.211 1.00 17.99 O ATOM 617 OE2 GLU B 26 11.891 -2.477 15.952 1.00 17.42 O ATOM 618 N LYS B 27 12.382 0.311 9.757 1.00 16.43 N ATOM 619 CA LYS B 27 11.729 0.800 8.541 1.00 15.57 C ATOM 620 C LYS B 27 12.405 0.181 7.327 1.00 15.65 C ATOM 621 O LYS B 27 11.743 -0.310 6.416 1.00 18.26 O ATOM 622 CB LYS B 27 11.821 2.323 8.444 1.00 18.13 C ATOM 623 CG LYS B 27 10.934 3.077 9.414 1.00 22.62 C ATOM 624 CD LYS B 27 11.028 4.577 9.164 1.00 26.95 C ATOM 625 CE LYS B 27 10.300 5.376 10.232 1.00 28.32 C ATOM 626 NZ LYS B 27 10.344 6.834 9.939 1.00 30.84 N ATOM 627 N ALA B 28 13.732 0.210 7.320 1.00 16.67 N ATOM 628 CA ALA B 28 14.494 -0.363 6.216 1.00 16.27 C ATOM 629 C ALA B 28 14.186 -1.853 6.127 1.00 14.77 C ATOM 630 O ALA B 28 14.062 -2.404 5.033 1.00 14.57 O ATOM 631 CB ALA B 28 15.984 -0.146 6.432 1.00 16.23 C ATOM 632 N GLU B 29 14.059 -2.497 7.283 1.00 14.27 N ATOM 633 CA GLU B 29 13.752 -3.924 7.333 1.00 15.23 C ATOM 634 C GLU B 29 12.376 -4.183 6.711 1.00 13.45 C ATOM 635 O GLU B 29 12.214 -5.114 5.932 1.00 15.71 O ATOM 636 CB GLU B 29 13.766 -4.432 8.783 1.00 15.80 C ATOM 637 CG GLU B 29 13.600 -5.950 8.903 1.00 14.64 C ATOM 638 CD GLU B 29 13.433 -6.425 10.338 1.00 17.12 C ATOM 639 OE1 GLU B 29 13.676 -5.634 11.271 1.00 17.68 O ATOM 640 OE2 GLU B 29 13.067 -7.601 10.540 1.00 14.56 O ATOM 641 N GLN B 30 11.396 -3.351 7.053 1.00 14.56 N ATOM 642 CA GLN B 30 10.036 -3.489 6.523 1.00 14.82 C ATOM 643 C GLN B 30 10.003 -3.306 4.998 1.00 16.12 C ATOM 644 O GLN B 30 9.267 -4.002 4.301 1.00 13.71 O ATOM 645 CB GLN B 30 9.102 -2.468 7.182 1.00 15.57 C ATOM 646 CG GLN B 30 7.640 -2.569 6.737 1.00 15.52 C ATOM 647 CD GLN B 30 6.916 -3.757 7.347 1.00 16.93 C ATOM 648 OE1 GLN B 30 7.500 -4.821 7.542 1.00 21.46 O ATOM 649 NE2 GLN B 30 5.630 -3.584 7.637 1.00 18.58 N ATOM 650 N GLN B 31 10.793 -2.360 4.493 1.00 17.11 N ATOM 651 CA GLN B 31 10.871 -2.099 3.053 1.00 18.38 C ATOM 652 C GLN B 31 11.333 -3.371 2.346 1.00 16.77 C ATOM 653 O GLN B 31 10.795 -3.756 1.304 1.00 17.47 O ATOM 654 CB GLN B 31 11.882 -0.986 2.772 1.00 23.49 C ATOM 655 CG GLN B 31 11.511 0.374 3.333 1.00 29.20 C ATOM 656 CD GLN B 31 10.626 1.163 2.395 1.00 32.46 C ATOM 657 OE1 GLN B 31 9.515 0.741 2.067 1.00 36.40 O ATOM 658 NE2 GLN B 31 11.117 2.317 1.951 1.00 33.80 N ATOM 659 N LYS B 32 12.347 -4.008 2.924 1.00 15.84 N ATOM 660 CA LYS B 32 12.905 -5.241 2.384 1.00 16.88 C ATOM 661 C LYS B 32 11.859 -6.344 2.370 1.00 14.62 C ATOM 662 O LYS B 32 11.714 -7.054 1.381 1.00 15.29 O ATOM 663 CB LYS B 32 14.101 -5.693 3.224 1.00 20.96 C ATOM 664 CG LYS B 32 15.329 -4.799 3.125 1.00 26.12 C ATOM 665 CD LYS B 32 16.045 -4.972 1.795 1.00 29.92 C ATOM 666 CE LYS B 32 17.290 -4.097 1.717 1.00 31.01 C ATOM 667 NZ LYS B 32 17.969 -4.233 0.397 1.00 35.09 N ATOM 668 N LEU B 33 11.132 -6.487 3.475 1.00 13.80 N ATOM 669 CA LEU B 33 10.102 -7.514 3.569 1.00 12.79 C ATOM 670 C LEU B 33 8.944 -7.239 2.613 1.00 12.37 C ATOM 671 O LEU B 33 8.397 -8.167 2.019 1.00 12.47 O ATOM 672 CB LEU B 33 9.580 -7.609 5.008 1.00 13.17 C ATOM 673 CG LEU B 33 10.603 -8.068 6.054 1.00 14.22 C ATOM 674 CD1 LEU B 33 10.013 -7.929 7.462 1.00 12.52 C ATOM 675 CD2 LEU B 33 11.005 -9.507 5.774 1.00 14.00 C ATOM 676 N ARG B 34 8.568 -5.971 2.471 1.00 12.18 N ATOM 677 CA ARG B 34 7.472 -5.601 1.580 1.00 15.33 C ATOM 678 C ARG B 34 7.812 -5.981 0.144 1.00 14.81 C ATOM 679 O ARG B 34 6.957 -6.455 -0.595 1.00 15.89 O ATOM 680 CB ARG B 34 7.182 -4.099 1.663 1.00 16.47 C ATOM 681 CG ARG B 34 6.495 -3.658 2.953 1.00 22.86 C ATOM 682 CD ARG B 34 6.536 -2.138 3.115 1.00 25.43 C ATOM 683 NE ARG B 34 5.908 -1.438 1.995 1.00 28.60 N ATOM 684 CZ ARG B 34 4.667 -0.960 2.000 1.00 29.12 C ATOM 685 NH1 ARG B 34 3.893 -1.097 3.073 1.00 23.95 N ATOM 686 NH2 ARG B 34 4.199 -0.340 0.923 1.00 30.05 N ATOM 687 N GLN B 35 9.063 -5.779 -0.249 1.00 16.62 N ATOM 688 CA GLN B 35 9.478 -6.129 -1.601 1.00 19.45 C ATOM 689 C GLN B 35 9.472 -7.643 -1.777 1.00 17.52 C ATOM 690 O GLN B 35 9.124 -8.150 -2.842 1.00 17.91 O ATOM 691 CB GLN B 35 10.862 -5.551 -1.903 1.00 20.86 C ATOM 692 CG GLN B 35 10.839 -4.041 -2.095 1.00 27.46 C ATOM 693 CD GLN B 35 9.797 -3.604 -3.116 1.00 31.82 C ATOM 694 OE1 GLN B 35 9.833 -4.018 -4.277 1.00 33.78 O ATOM 695 NE2 GLN B 35 8.860 -2.763 -2.684 1.00 34.87 N ATOM 696 N GLU B 36 9.852 -8.365 -0.728 1.00 16.92 N ATOM 697 CA GLU B 36 9.849 -9.823 -0.780 1.00 16.94 C ATOM 698 C GLU B 36 8.400 -10.291 -0.914 1.00 17.31 C ATOM 699 O GLU B 36 8.105 -11.280 -1.593 1.00 15.70 O ATOM 700 CB GLU B 36 10.464 -10.413 0.498 1.00 19.82 C ATOM 701 CG GLU B 36 11.990 -10.408 0.537 1.00 22.48 C ATOM 702 CD GLU B 36 12.545 -10.875 1.879 1.00 25.80 C ATOM 703 OE1 GLU B 36 12.115 -11.942 2.363 1.00 27.78 O ATOM 704 OE2 GLU B 36 13.415 -10.179 2.449 1.00 27.79 O ATOM 705 N TYR B 37 7.495 -9.569 -0.261 1.00 16.07 N ATOM 706 CA TYR B 37 6.079 -9.910 -0.309 1.00 16.46 C ATOM 707 C TYR B 37 5.570 -9.875 -1.754 1.00 15.17 C ATOM 708 O TYR B 37 4.978 -10.843 -2.242 1.00 13.82 O ATOM 709 CB TYR B 37 5.286 -8.930 0.560 1.00 14.91 C ATOM 710 CG TYR B 37 3.783 -9.064 0.445 1.00 17.29 C ATOM 711 CD1 TYR B 37 3.054 -8.209 -0.366 1.00 20.47 C ATOM 712 CD2 TYR B 37 3.093 -10.040 1.152 1.00 19.68 C ATOM 713 CE1 TYR B 37 1.665 -8.314 -0.472 1.00 21.95 C ATOM 714 CE2 TYR B 37 1.699 -10.158 1.056 1.00 21.61 C ATOM 715 CZ TYR B 37 0.993 -9.289 0.241 1.00 21.05 C ATOM 716 OH TYR B 37 -0.378 -9.375 0.149 1.00 22.25 O ATOM 717 N LEU B 38 5.816 -8.757 -2.427 1.00 16.63 N ATOM 718 CA LEU B 38 5.391 -8.576 -3.814 1.00 19.28 C ATOM 719 C LEU B 38 6.050 -9.587 -4.746 1.00 19.94 C ATOM 720 O LEU B 38 5.371 -10.247 -5.526 1.00 22.14 O ATOM 721 CB LEU B 38 5.708 -7.154 -4.275 1.00 19.61 C ATOM 722 CG LEU B 38 4.950 -6.061 -3.523 1.00 20.05 C ATOM 723 CD1 LEU B 38 5.443 -4.698 -3.975 1.00 21.26 C ATOM 724 CD2 LEU B 38 3.450 -6.216 -3.770 1.00 19.81 C ATOM 725 N LYS B 39 7.370 -9.718 -4.654 1.00 21.27 N ATOM 726 CA LYS B 39 8.091 -10.670 -5.494 1.00 23.26 C ATOM 727 C LYS B 39 7.521 -12.077 -5.299 1.00 22.64 C ATOM 728 O LYS B 39 7.661 -12.946 -6.166 1.00 22.20 O ATOM 729 CB LYS B 39 9.587 -10.657 -5.155 1.00 26.61 C ATOM 730 CG LYS B 39 10.410 -11.633 -5.982 1.00 29.96 C ATOM 731 CD LYS B 39 11.903 -11.435 -5.776 1.00 34.52 C ATOM 732 CE LYS B 39 12.706 -12.358 -6.687 1.00 35.06 C ATOM 733 NZ LYS B 39 14.176 -12.146 -6.556 1.00 37.53 N ATOM 734 N GLY B 40 6.871 -12.293 -4.159 1.00 18.72 N ATOM 735 CA GLY B 40 6.277 -13.587 -3.871 1.00 20.25 C ATOM 736 C GLY B 40 5.093 -13.932 -4.761 1.00 20.10 C ATOM 737 O GLY B 40 4.661 -15.085 -4.808 1.00 20.23 O ATOM 738 N PHE B 41 4.571 -12.933 -5.466 1.00 21.62 N ATOM 739 CA PHE B 41 3.433 -13.111 -6.366 1.00 23.69 C ATOM 740 C PHE B 41 3.885 -13.308 -7.817 1.00 27.27 C ATOM 741 O PHE B 41 3.061 -13.336 -8.730 1.00 25.80 O ATOM 742 CB PHE B 41 2.524 -11.882 -6.309 1.00 24.11 C ATOM 743 CG PHE B 41 1.763 -11.741 -5.019 1.00 25.13 C ATOM 744 CD1 PHE B 41 0.523 -12.339 -4.861 1.00 25.41 C ATOM 745 CD2 PHE B 41 2.288 -11.005 -3.965 1.00 23.82 C ATOM 746 CE1 PHE B 41 -0.189 -12.213 -3.668 1.00 26.14 C ATOM 747 CE2 PHE B 41 1.587 -10.871 -2.765 1.00 25.91 C ATOM 748 CZ PHE B 41 0.345 -11.475 -2.620 1.00 26.20 C ATOM 749 N ARG B 42 5.192 -13.438 -8.022 1.00 29.32 N ATOM 750 CA ARG B 42 5.752 -13.601 -9.360 1.00 34.19 C ATOM 751 C ARG B 42 5.217 -14.828 -10.098 1.00 36.25 C ATOM 752 O ARG B 42 4.713 -14.714 -11.214 1.00 35.64 O ATOM 753 CB ARG B 42 7.282 -13.666 -9.277 1.00 36.76 C ATOM 754 CG ARG B 42 7.992 -13.649 -10.623 1.00 42.70 C ATOM 755 CD ARG B 42 9.507 -13.654 -10.449 1.00 45.84 C ATOM 756 NE ARG B 42 10.209 -13.718 -11.729 1.00 50.69 N ATOM 757 CZ ARG B 42 11.530 -13.794 -11.857 1.00 52.28 C ATOM 758 NH1 ARG B 42 12.306 -13.817 -10.781 1.00 54.55 N ATOM 759 NH2 ARG B 42 12.077 -13.849 -13.064 1.00 53.20 N ATOM 760 N SER B 43 5.327 -15.997 -9.475 1.00 38.42 N ATOM 761 CA SER B 43 4.856 -17.236 -10.084 1.00 40.42 C ATOM 762 C SER B 43 3.354 -17.232 -10.336 1.00 41.81 C ATOM 763 O SER B 43 2.879 -17.858 -11.282 1.00 41.03 O ATOM 764 CB SER B 43 5.227 -18.433 -9.209 1.00 40.43 C ATOM 765 OG SER B 43 6.626 -18.649 -9.220 1.00 41.28 O ATOM 766 N SER B 44 2.605 -16.536 -9.487 1.00 42.86 N ATOM 767 CA SER B 44 1.157 -16.461 -9.649 1.00 45.08 C ATOM 768 C SER B 44 0.821 -15.576 -10.841 1.00 46.36 C ATOM 769 O SER B 44 -0.144 -15.824 -11.563 1.00 45.95 O ATOM 770 CB SER B 44 0.502 -15.893 -8.387 1.00 44.95 C ATOM 771 OG SER B 44 0.691 -16.760 -7.283 1.00 46.99 O HETATM 772 N MSE B 45 1.627 -14.540 -11.042 1.00 48.54 N HETATM 773 CA MSE B 45 1.415 -13.620 -12.146 1.00 51.99 C HETATM 774 C MSE B 45 1.601 -14.350 -13.473 1.00 52.47 C HETATM 775 O MSE B 45 0.819 -14.163 -14.402 1.00 51.85 O HETATM 776 CB MSE B 45 2.395 -12.448 -12.051 1.00 54.91 C HETATM 777 CG MSE B 45 2.171 -11.353 -13.083 1.00 60.31 C HETATM 778 SE MSE B 45 0.466 -10.456 -12.900 1.00 69.03 HETATM 779 CE MSE B 45 -0.510 -11.380 -14.283 1.00 64.20 C ATOM 780 N LYS B 46 2.630 -15.190 -13.555 1.00 53.65 N ATOM 781 CA LYS B 46 2.893 -15.931 -14.783 1.00 55.55 C ATOM 782 C LYS B 46 1.858 -17.027 -15.024 1.00 55.88 C ATOM 783 O LYS B 46 1.549 -17.348 -16.170 1.00 56.13 O ATOM 784 CB LYS B 46 4.308 -16.532 -14.772 1.00 56.30 C ATOM 785 CG LYS B 46 4.567 -17.551 -13.682 1.00 57.56 C ATOM 786 CD LYS B 46 5.890 -18.293 -13.890 1.00 58.74 C ATOM 787 CE LYS B 46 7.113 -17.389 -13.747 1.00 59.45 C ATOM 788 NZ LYS B 46 7.268 -16.415 -14.863 1.00 59.40 N ATOM 789 N ASN B 47 1.321 -17.604 -13.953 1.00 56.51 N ATOM 790 CA ASN B 47 0.308 -18.641 -14.105 1.00 56.98 C ATOM 791 C ASN B 47 -0.963 -18.011 -14.663 1.00 56.58 C ATOM 792 O ASN B 47 -1.795 -18.687 -15.266 1.00 56.93 O ATOM 793 CB ASN B 47 -0.002 -19.313 -12.764 1.00 58.44 C ATOM 794 CG ASN B 47 1.145 -20.169 -12.259 1.00 60.02 C ATOM 795 OD1 ASN B 47 1.730 -20.950 -13.009 1.00 61.03 O ATOM 796 ND2 ASN B 47 1.464 -20.035 -10.976 1.00 60.68 N ATOM 797 N THR B 48 -1.100 -16.705 -14.460 1.00 55.66 N ATOM 798 CA THR B 48 -2.262 -15.966 -14.938 1.00 55.37 C ATOM 799 C THR B 48 -1.993 -15.379 -16.321 1.00 54.62 C ATOM 800 O THR B 48 -0.842 -15.222 -16.728 1.00 53.32 O ATOM 801 CB THR B 48 -2.623 -14.816 -13.972 1.00 55.58 C ATOM 802 OG1 THR B 48 -2.844 -15.345 -12.659 1.00 56.23 O ATOM 803 CG2 THR B 48 -3.881 -14.100 -14.440 1.00 55.67 C TER 805 THR B 48 HETATM 805 N MSE C 1 -10.821 -10.710 -2.932 1.00 36.45 N HETATM 806 CA MSE C 1 -9.855 -10.858 -1.809 1.00 35.66 C HETATM 807 C MSE C 1 -10.472 -11.710 -0.701 1.00 32.45 C HETATM 808 O MSE C 1 -11.688 -11.705 -0.498 1.00 30.64 O HETATM 809 CB MSE C 1 -9.468 -9.475 -1.274 1.00 40.67 C HETATM 810 CG MSE C 1 -8.436 -9.481 -0.155 1.00 46.22 C HETATM 811 SE MSE C 1 -7.896 -7.683 0.344 1.00 56.80 HETATM 812 CE MSE C 1 -6.096 -8.060 0.928 1.00 51.81 C ATOM 813 N ILE C 2 -9.625 -12.451 0.004 1.00 29.77 N ATOM 814 CA ILE C 2 -10.065 -13.330 1.082 1.00 26.28 C ATOM 815 C ILE C 2 -10.841 -12.536 2.146 1.00 23.74 C ATOM 816 O ILE C 2 -10.631 -11.333 2.305 1.00 22.09 O ATOM 817 CB ILE C 2 -8.833 -14.052 1.691 1.00 28.56 C ATOM 818 CG1 ILE C 2 -9.272 -15.269 2.501 1.00 27.77 C ATOM 819 CG2 ILE C 2 -8.027 -13.086 2.537 1.00 29.21 C ATOM 820 CD1 ILE C 2 -8.107 -16.138 2.931 1.00 29.51 C ATOM 821 N SER C 3 -11.742 -13.202 2.867 1.00 20.97 N ATOM 822 CA SER C 3 -12.559 -12.528 3.887 1.00 18.21 C ATOM 823 C SER C 3 -11.739 -11.951 5.036 1.00 16.83 C ATOM 824 O SER C 3 -10.611 -12.374 5.276 1.00 14.47 O ATOM 825 CB SER C 3 -13.594 -13.495 4.467 1.00 18.46 C ATOM 826 OG SER C 3 -12.987 -14.392 5.389 1.00 17.29 O ATOM 827 N ASN C 4 -12.322 -10.996 5.758 1.00 15.53 N ATOM 828 CA ASN C 4 -11.637 -10.384 6.891 1.00 15.96 C ATOM 829 C ASN C 4 -11.330 -11.404 7.972 1.00 14.50 C ATOM 830 O ASN C 4 -10.226 -11.418 8.513 1.00 11.31 O ATOM 831 CB ASN C 4 -12.474 -9.258 7.500 1.00 16.86 C ATOM 832 CG ASN C 4 -12.524 -8.032 6.618 1.00 18.09 C ATOM 833 OD1 ASN C 4 -11.496 -7.569 6.131 1.00 21.33 O ATOM 834 ND2 ASN C 4 -13.719 -7.493 6.417 1.00 19.00 N ATOM 835 N ALA C 5 -12.304 -12.255 8.288 1.00 14.64 N ATOM 836 CA ALA C 5 -12.100 -13.266 9.319 1.00 14.50 C ATOM 837 C ALA C 5 -10.961 -14.209 8.939 1.00 13.21 C ATOM 838 O ALA C 5 -10.237 -14.696 9.804 1.00 13.37 O ATOM 839 CB ALA C 5 -13.388 -14.060 9.556 1.00 14.41 C ATOM 840 N LYS C 6 -10.800 -14.467 7.646 1.00 14.79 N ATOM 841 CA LYS C 6 -9.738 -15.356 7.195 1.00 13.45 C ATOM 842 C LYS C 6 -8.387 -14.655 7.243 1.00 13.60 C ATOM 843 O LYS C 6 -7.360 -15.289 7.473 1.00 13.50 O ATOM 844 CB LYS C 6 -10.038 -15.877 5.788 1.00 14.75 C ATOM 845 CG LYS C 6 -11.116 -16.968 5.777 1.00 18.28 C ATOM 846 CD LYS C 6 -11.417 -17.452 4.368 1.00 19.50 C ATOM 847 CE LYS C 6 -12.506 -18.521 4.362 1.00 22.43 C ATOM 848 NZ LYS C 6 -12.075 -19.755 5.073 1.00 19.32 N ATOM 849 N ILE C 7 -8.392 -13.343 7.038 1.00 11.39 N ATOM 850 CA ILE C 7 -7.160 -12.575 7.106 1.00 10.26 C ATOM 851 C ILE C 7 -6.693 -12.634 8.559 1.00 9.23 C ATOM 852 O ILE C 7 -5.506 -12.816 8.842 1.00 9.99 O ATOM 853 CB ILE C 7 -7.395 -11.098 6.709 1.00 12.49 C ATOM 854 CG1 ILE C 7 -7.651 -11.001 5.203 1.00 14.91 C ATOM 855 CG2 ILE C 7 -6.201 -10.249 7.118 1.00 11.67 C ATOM 856 CD1 ILE C 7 -8.058 -9.620 4.734 1.00 17.57 C ATOM 857 N ALA C 8 -7.644 -12.485 9.475 1.00 8.33 N ATOM 858 CA ALA C 8 -7.354 -12.523 10.904 1.00 8.13 C ATOM 859 C ALA C 8 -6.708 -13.853 11.283 1.00 8.21 C ATOM 860 O ALA C 8 -5.693 -13.879 11.970 1.00 9.97 O ATOM 861 CB ALA C 8 -8.640 -12.320 11.705 1.00 7.06 C ATOM 862 N ARG C 9 -7.295 -14.954 10.825 1.00 8.54 N ATOM 863 CA ARG C 9 -6.766 -16.286 11.126 1.00 10.09 C ATOM 864 C ARG C 9 -5.338 -16.466 10.598 1.00 9.94 C ATOM 865 O ARG C 9 -4.467 -16.981 11.309 1.00 10.07 O ATOM 866 CB ARG C 9 -7.690 -17.362 10.541 1.00 11.92 C ATOM 867 CG ARG C 9 -7.335 -18.803 10.952 1.00 13.50 C ATOM 868 CD ARG C 9 -7.249 -18.960 12.467 1.00 14.30 C ATOM 869 NE ARG C 9 -7.016 -20.355 12.848 1.00 15.73 N ATOM 870 CZ ARG C 9 -6.626 -20.757 14.054 1.00 17.26 C ATOM 871 NH1 ARG C 9 -6.416 -19.876 15.023 1.00 19.56 N ATOM 872 NH2 ARG C 9 -6.450 -22.049 14.293 1.00 19.99 N ATOM 873 N ILE C 10 -5.102 -16.043 9.357 1.00 8.86 N ATOM 874 CA ILE C 10 -3.776 -16.141 8.751 1.00 9.08 C ATOM 875 C ILE C 10 -2.754 -15.421 9.624 1.00 7.41 C ATOM 876 O ILE C 10 -1.648 -15.913 9.833 1.00 8.79 O ATOM 877 CB ILE C 10 -3.754 -15.514 7.330 1.00 10.45 C ATOM 878 CG1 ILE C 10 -4.574 -16.378 6.375 1.00 12.32 C ATOM 879 CG2 ILE C 10 -2.310 -15.364 6.828 1.00 12.77 C ATOM 880 CD1 ILE C 10 -4.810 -15.732 5.021 1.00 17.04 C ATOM 881 N ASN C 11 -3.122 -14.257 10.146 1.00 6.46 N ATOM 882 CA ASN C 11 -2.200 -13.513 10.995 1.00 7.15 C ATOM 883 C ASN C 11 -1.951 -14.226 12.329 1.00 7.52 C ATOM 884 O ASN C 11 -0.829 -14.218 12.835 1.00 9.81 O ATOM 885 CB ASN C 11 -2.715 -12.088 11.235 1.00 6.14 C ATOM 886 CG ASN C 11 -2.785 -11.269 9.946 1.00 7.43 C ATOM 887 OD1 ASN C 11 -2.068 -11.546 8.980 1.00 7.91 O ATOM 888 ND2 ASN C 11 -3.639 -10.254 9.935 1.00 10.19 N ATOM 889 N GLU C 12 -2.986 -14.841 12.898 1.00 10.18 N ATOM 890 CA GLU C 12 -2.821 -15.565 14.165 1.00 12.23 C ATOM 891 C GLU C 12 -1.848 -16.728 13.986 1.00 9.76 C ATOM 892 O GLU C 12 -0.945 -16.932 14.795 1.00 11.47 O ATOM 893 CB GLU C 12 -4.156 -16.133 14.655 1.00 12.50 C ATOM 894 CG GLU C 12 -5.218 -15.103 14.958 1.00 17.77 C ATOM 895 CD GLU C 12 -6.450 -15.718 15.602 1.00 20.60 C ATOM 896 OE1 GLU C 12 -6.698 -16.929 15.399 1.00 19.45 O ATOM 897 OE2 GLU C 12 -7.177 -14.983 16.299 1.00 25.63 O ATOM 898 N LEU C 13 -2.060 -17.503 12.931 1.00 10.58 N ATOM 899 CA LEU C 13 -1.217 -18.652 12.646 1.00 11.16 C ATOM 900 C LEU C 13 0.198 -18.243 12.270 1.00 12.00 C ATOM 901 O LEU C 13 1.154 -18.930 12.620 1.00 12.65 O ATOM 902 CB LEU C 13 -1.833 -19.489 11.531 1.00 12.33 C ATOM 903 CG LEU C 13 -3.203 -20.083 11.884 1.00 15.64 C ATOM 904 CD1 LEU C 13 -3.738 -20.862 10.697 1.00 18.13 C ATOM 905 CD2 LEU C 13 -3.081 -20.980 13.116 1.00 16.44 C ATOM 906 N ALA C 14 0.334 -17.125 11.559 1.00 10.64 N ATOM 907 CA ALA C 14 1.654 -16.651 11.165 1.00 10.66 C ATOM 908 C ALA C 14 2.434 -16.308 12.430 1.00 9.79 C ATOM 909 O ALA C 14 3.615 -16.630 12.540 1.00 9.74 O ATOM 910 CB ALA C 14 1.540 -15.435 10.268 1.00 8.09 C ATOM 911 N ALA C 15 1.770 -15.672 13.389 1.00 11.77 N ATOM 912 CA ALA C 15 2.427 -15.309 14.643 1.00 12.89 C ATOM 913 C ALA C 15 2.920 -16.555 15.382 1.00 13.59 C ATOM 914 O ALA C 15 3.994 -16.543 15.982 1.00 16.13 O ATOM 915 CB ALA C 15 1.471 -14.517 15.535 1.00 13.32 C ATOM 916 N LYS C 16 2.131 -17.625 15.342 1.00 12.60 N ATOM 917 CA LYS C 16 2.504 -18.872 16.009 1.00 12.48 C ATOM 918 C LYS C 16 3.675 -19.560 15.318 1.00 11.04 C ATOM 919 O LYS C 16 4.546 -20.127 15.980 1.00 10.84 O ATOM 920 CB LYS C 16 1.302 -19.815 16.066 1.00 13.83 C ATOM 921 CG LYS C 16 0.219 -19.303 17.008 1.00 16.41 C ATOM 922 CD LYS C 16 -0.928 -20.269 17.164 1.00 18.95 C ATOM 923 CE LYS C 16 -1.923 -19.731 18.196 1.00 25.26 C ATOM 924 NZ LYS C 16 -3.029 -20.689 18.472 1.00 26.90 N ATOM 925 N ALA C 17 3.684 -19.514 13.989 1.00 8.14 N ATOM 926 CA ALA C 17 4.754 -20.117 13.210 1.00 9.97 C ATOM 927 C ALA C 17 6.068 -19.418 13.532 1.00 10.25 C ATOM 928 O ALA C 17 7.099 -20.065 13.716 1.00 9.55 O ATOM 929 CB ALA C 17 4.449 -19.999 11.711 1.00 8.88 C ATOM 930 N LYS C 18 6.028 -18.090 13.586 1.00 8.72 N ATOM 931 CA LYS C 18 7.222 -17.312 13.889 1.00 12.08 C ATOM 932 C LYS C 18 7.683 -17.555 15.325 1.00 12.74 C ATOM 933 O LYS C 18 8.879 -17.519 15.613 1.00 14.49 O ATOM 934 CB LYS C 18 6.950 -15.819 13.701 1.00 11.16 C ATOM 935 CG LYS C 18 8.162 -14.946 13.977 1.00 12.77 C ATOM 936 CD LYS C 18 7.810 -13.475 13.854 1.00 15.48 C ATOM 937 CE LYS C 18 9.044 -12.602 13.974 1.00 17.32 C ATOM 938 NZ LYS C 18 9.665 -12.725 15.318 1.00 19.87 N ATOM 939 N ALA C 19 6.728 -17.796 16.219 1.00 14.66 N ATOM 940 CA ALA C 19 7.040 -18.035 17.626 1.00 15.70 C ATOM 941 C ALA C 19 7.533 -19.457 17.860 1.00 15.76 C ATOM 942 O ALA C 19 8.014 -19.780 18.942 1.00 16.39 O ATOM 943 CB ALA C 19 5.813 -17.763 18.487 1.00 15.21 C ATOM 944 N GLY C 20 7.399 -20.305 16.846 1.00 15.37 N ATOM 945 CA GLY C 20 7.846 -21.681 16.969 1.00 19.49 C ATOM 946 C GLY C 20 6.976 -22.526 17.882 1.00 20.24 C ATOM 947 O GLY C 20 7.413 -23.560 18.392 1.00 18.99 O ATOM 948 N VAL C 21 5.736 -22.097 18.086 1.00 18.76 N ATOM 949 CA VAL C 21 4.825 -22.835 18.948 1.00 18.16 C ATOM 950 C VAL C 21 3.578 -23.316 18.209 1.00 19.24 C ATOM 951 O VAL C 21 2.654 -23.854 18.823 1.00 17.95 O ATOM 952 CB VAL C 21 4.397 -21.983 20.162 1.00 18.05 C ATOM 953 CG1 VAL C 21 5.614 -21.623 21.001 1.00 18.43 C ATOM 954 CG2 VAL C 21 3.688 -20.724 19.698 1.00 18.42 C ATOM 955 N ILE C 22 3.550 -23.131 16.891 1.00 17.77 N ATOM 956 CA ILE C 22 2.400 -23.564 16.106 1.00 19.92 C ATOM 957 C ILE C 22 2.282 -25.089 16.151 1.00 21.87 C ATOM 958 O ILE C 22 3.282 -25.795 16.024 1.00 23.01 O ATOM 959 CB ILE C 22 2.510 -23.093 14.629 1.00 18.41 C ATOM 960 CG1 ILE C 22 1.204 -23.401 13.890 1.00 18.32 C ATOM 961 CG2 ILE C 22 3.685 -23.770 13.945 1.00 16.83 C ATOM 962 CD1 ILE C 22 1.162 -22.905 12.450 1.00 17.75 C ATOM 963 N THR C 23 1.068 -25.595 16.351 1.00 22.01 N ATOM 964 CA THR C 23 0.851 -27.040 16.407 1.00 23.30 C ATOM 965 C THR C 23 0.768 -27.586 14.988 1.00 22.53 C ATOM 966 O THR C 23 0.595 -26.827 14.042 1.00 21.28 O ATOM 967 CB THR C 23 -0.452 -27.390 17.151 1.00 23.11 C ATOM 968 OG1 THR C 23 -1.561 -26.788 16.475 1.00 21.55 O ATOM 969 CG2 THR C 23 -0.397 -26.886 18.592 1.00 24.44 C ATOM 970 N GLU C 24 0.880 -28.902 14.844 1.00 23.90 N ATOM 971 CA GLU C 24 0.844 -29.525 13.526 1.00 25.18 C ATOM 972 C GLU C 24 -0.492 -29.353 12.804 1.00 25.77 C ATOM 973 O GLU C 24 -0.533 -29.311 11.574 1.00 24.42 O ATOM 974 CB GLU C 24 1.189 -31.011 13.639 1.00 27.46 C ATOM 975 CG GLU C 24 1.772 -31.607 12.363 1.00 29.69 C ATOM 976 CD GLU C 24 3.078 -30.938 11.949 1.00 31.74 C ATOM 977 OE1 GLU C 24 3.958 -30.753 12.817 1.00 33.16 O ATOM 978 OE2 GLU C 24 3.234 -30.606 10.754 1.00 33.73 O ATOM 979 N GLU C 25 -1.587 -29.259 13.551 1.00 26.98 N ATOM 980 CA GLU C 25 -2.882 -29.079 12.905 1.00 28.08 C ATOM 981 C GLU C 25 -2.994 -27.654 12.374 1.00 25.42 C ATOM 982 O GLU C 25 -3.396 -27.446 11.233 1.00 21.87 O ATOM 983 CB GLU C 25 -4.034 -29.383 13.873 1.00 32.07 C ATOM 984 CG GLU C 25 -4.016 -28.594 15.165 1.00 36.97 C ATOM 985 CD GLU C 25 -5.210 -28.907 16.043 1.00 40.59 C ATOM 986 OE1 GLU C 25 -5.425 -30.098 16.356 1.00 43.02 O ATOM 987 OE2 GLU C 25 -5.934 -27.962 16.424 1.00 44.63 O ATOM 988 N GLU C 26 -2.617 -26.679 13.197 1.00 25.34 N ATOM 989 CA GLU C 26 -2.672 -25.277 12.791 1.00 23.58 C ATOM 990 C GLU C 26 -1.820 -25.071 11.537 1.00 25.00 C ATOM 991 O GLU C 26 -2.128 -24.232 10.694 1.00 24.54 O ATOM 992 CB GLU C 26 -2.169 -24.373 13.922 1.00 24.95 C ATOM 993 CG GLU C 26 -2.957 -24.506 15.222 1.00 25.08 C ATOM 994 CD GLU C 26 -2.350 -23.722 16.369 1.00 25.88 C ATOM 995 OE1 GLU C 26 -1.124 -23.839 16.590 1.00 27.80 O ATOM 996 OE2 GLU C 26 -3.097 -22.997 17.061 1.00 23.48 O ATOM 997 N LYS C 27 -0.749 -25.849 11.415 1.00 26.53 N ATOM 998 CA LYS C 27 0.136 -25.756 10.260 1.00 25.40 C ATOM 999 C LYS C 27 -0.610 -26.167 8.993 1.00 24.67 C ATOM 1000 O LYS C 27 -0.489 -25.523 7.943 1.00 22.26 O ATOM 1001 CB LYS C 27 1.354 -26.652 10.475 1.00 28.69 C ATOM 1002 CG LYS C 27 2.423 -26.528 9.414 1.00 33.25 C ATOM 1003 CD LYS C 27 3.698 -27.239 9.853 1.00 36.14 C ATOM 1004 CE LYS C 27 4.746 -27.222 8.759 1.00 37.50 C ATOM 1005 NZ LYS C 27 4.297 -27.989 7.561 1.00 39.43 N ATOM 1006 N ALA C 28 -1.385 -27.242 9.098 1.00 24.18 N ATOM 1007 CA ALA C 28 -2.173 -27.740 7.975 1.00 21.83 C ATOM 1008 C ALA C 28 -3.247 -26.709 7.635 1.00 21.55 C ATOM 1009 O ALA C 28 -3.534 -26.447 6.467 1.00 19.55 O ATOM 1010 CB ALA C 28 -2.822 -29.073 8.344 1.00 23.17 C ATOM 1011 N GLU C 29 -3.843 -26.129 8.669 1.00 21.70 N ATOM 1012 CA GLU C 29 -4.874 -25.120 8.469 1.00 22.83 C ATOM 1013 C GLU C 29 -4.292 -23.894 7.756 1.00 21.79 C ATOM 1014 O GLU C 29 -4.884 -23.386 6.805 1.00 21.82 O ATOM 1015 CB GLU C 29 -5.482 -24.711 9.811 1.00 24.09 C ATOM 1016 CG GLU C 29 -6.473 -23.559 9.709 1.00 23.10 C ATOM 1017 CD GLU C 29 -7.056 -23.166 11.043 1.00 22.69 C ATOM 1018 OE1 GLU C 29 -6.508 -23.592 12.085 1.00 24.42 O ATOM 1019 OE2 GLU C 29 -8.059 -22.418 11.049 1.00 22.15 O ATOM 1020 N GLN C 30 -3.129 -23.427 8.203 1.00 23.07 N ATOM 1021 CA GLN C 30 -2.505 -22.258 7.573 1.00 22.72 C ATOM 1022 C GLN C 30 -2.237 -22.514 6.095 1.00 23.64 C ATOM 1023 O GLN C 30 -2.370 -21.614 5.265 1.00 22.46 O ATOM 1024 CB GLN C 30 -1.189 -21.891 8.269 1.00 22.28 C ATOM 1025 CG GLN C 30 -0.483 -20.659 7.669 1.00 22.12 C ATOM 1026 CD GLN C 30 -1.220 -19.343 7.942 1.00 25.70 C ATOM 1027 OE1 GLN C 30 -2.434 -19.249 7.761 1.00 24.65 O ATOM 1028 NE2 GLN C 30 -0.475 -18.317 8.368 1.00 19.11 N ATOM 1029 N GLN C 31 -1.870 -23.746 5.761 1.00 25.79 N ATOM 1030 CA GLN C 31 -1.583 -24.084 4.374 1.00 26.57 C ATOM 1031 C GLN C 31 -2.792 -23.875 3.464 1.00 26.84 C ATOM 1032 O GLN C 31 -2.657 -23.343 2.362 1.00 25.38 O ATOM 1033 CB GLN C 31 -1.090 -25.529 4.273 1.00 30.93 C ATOM 1034 CG GLN C 31 -0.614 -25.914 2.883 1.00 34.97 C ATOM 1035 CD GLN C 31 0.316 -24.876 2.287 1.00 38.19 C ATOM 1036 OE1 GLN C 31 1.280 -24.448 2.925 1.00 38.48 O ATOM 1037 NE2 GLN C 31 0.036 -24.470 1.051 1.00 39.59 N ATOM 1038 N LYS C 32 -3.975 -24.285 3.917 1.00 27.20 N ATOM 1039 CA LYS C 32 -5.178 -24.101 3.109 1.00 27.61 C ATOM 1040 C LYS C 32 -5.526 -22.616 2.986 1.00 25.36 C ATOM 1041 O LYS C 32 -5.975 -22.155 1.936 1.00 23.87 O ATOM 1042 CB LYS C 32 -6.374 -24.839 3.717 1.00 30.55 C ATOM 1043 CG LYS C 32 -7.626 -24.729 2.843 1.00 36.02 C ATOM 1044 CD LYS C 32 -8.902 -25.135 3.567 1.00 39.16 C ATOM 1045 CE LYS C 32 -10.118 -24.906 2.668 1.00 40.93 C ATOM 1046 NZ LYS C 32 -11.422 -25.146 3.358 1.00 41.70 N ATOM 1047 N LEU C 33 -5.324 -21.871 4.067 1.00 25.84 N ATOM 1048 CA LEU C 33 -5.614 -20.439 4.073 1.00 25.35 C ATOM 1049 C LEU C 33 -4.743 -19.695 3.065 1.00 25.06 C ATOM 1050 O LEU C 33 -5.219 -18.813 2.351 1.00 26.04 O ATOM 1051 CB LEU C 33 -5.398 -19.867 5.479 1.00 26.12 C ATOM 1052 CG LEU C 33 -6.395 -20.346 6.542 1.00 27.11 C ATOM 1053 CD1 LEU C 33 -5.920 -19.938 7.929 1.00 28.85 C ATOM 1054 CD2 LEU C 33 -7.769 -19.764 6.246 1.00 27.10 C ATOM 1055 N ARG C 34 -3.465 -20.053 3.009 1.00 26.47 N ATOM 1056 CA ARG C 34 -2.535 -19.422 2.076 1.00 28.53 C ATOM 1057 C ARG C 34 -3.070 -19.592 0.663 1.00 28.57 C ATOM 1058 O ARG C 34 -3.088 -18.649 -0.135 1.00 27.03 O ATOM 1059 CB ARG C 34 -1.163 -20.086 2.176 1.00 30.76 C ATOM 1060 CG ARG C 34 -0.609 -20.138 3.582 1.00 32.95 C ATOM 1061 CD ARG C 34 0.532 -19.177 3.765 1.00 34.58 C ATOM 1062 NE ARG C 34 1.643 -19.493 2.873 1.00 36.31 N ATOM 1063 CZ ARG C 34 2.831 -18.907 2.944 1.00 35.10 C ATOM 1064 NH1 ARG C 34 3.049 -17.984 3.870 1.00 32.13 N ATOM 1065 NH2 ARG C 34 3.792 -19.236 2.091 1.00 35.12 N ATOM 1066 N GLN C 35 -3.507 -20.810 0.364 1.00 27.60 N ATOM 1067 CA GLN C 35 -4.044 -21.121 -0.949 1.00 29.07 C ATOM 1068 C GLN C 35 -5.258 -20.249 -1.271 1.00 27.50 C ATOM 1069 O GLN C 35 -5.388 -19.747 -2.386 1.00 25.85 O ATOM 1070 CB GLN C 35 -4.398 -22.609 -1.016 1.00 32.79 C ATOM 1071 CG GLN C 35 -3.171 -23.504 -0.857 1.00 37.97 C ATOM 1072 CD GLN C 35 -3.496 -24.986 -0.853 1.00 43.16 C ATOM 1073 OE1 GLN C 35 -4.128 -25.496 0.075 1.00 45.34 O ATOM 1074 NE2 GLN C 35 -3.067 -25.687 -1.899 1.00 43.27 N ATOM 1075 N GLU C 36 -6.133 -20.051 -0.289 1.00 25.81 N ATOM 1076 CA GLU C 36 -7.322 -19.230 -0.493 1.00 27.01 C ATOM 1077 C GLU C 36 -6.911 -17.765 -0.606 1.00 26.54 C ATOM 1078 O GLU C 36 -7.515 -16.988 -1.346 1.00 27.02 O ATOM 1079 CB GLU C 36 -8.302 -19.401 0.674 1.00 29.14 C ATOM 1080 CG GLU C 36 -8.701 -20.847 0.966 1.00 33.73 C ATOM 1081 CD GLU C 36 -9.816 -20.946 1.993 1.00 35.27 C ATOM 1082 OE1 GLU C 36 -9.719 -20.269 3.036 1.00 37.01 O ATOM 1083 OE2 GLU C 36 -10.783 -21.706 1.765 1.00 37.90 O ATOM 1084 N TYR C 37 -5.880 -17.395 0.143 1.00 26.08 N ATOM 1085 CA TYR C 37 -5.363 -16.033 0.137 1.00 26.75 C ATOM 1086 C TYR C 37 -4.897 -15.690 -1.281 1.00 27.70 C ATOM 1087 O TYR C 37 -5.271 -14.657 -1.842 1.00 26.13 O ATOM 1088 CB TYR C 37 -4.195 -15.938 1.119 1.00 26.74 C ATOM 1089 CG TYR C 37 -3.570 -14.566 1.272 1.00 28.06 C ATOM 1090 CD1 TYR C 37 -4.244 -13.533 1.921 1.00 26.15 C ATOM 1091 CD2 TYR C 37 -2.281 -14.319 0.811 1.00 28.54 C ATOM 1092 CE1 TYR C 37 -3.641 -12.280 2.114 1.00 27.35 C ATOM 1093 CE2 TYR C 37 -1.667 -13.073 0.997 1.00 29.35 C ATOM 1094 CZ TYR C 37 -2.351 -12.060 1.650 1.00 27.50 C ATOM 1095 OH TYR C 37 -1.732 -10.843 1.845 1.00 26.69 O ATOM 1096 N LEU C 38 -4.091 -16.576 -1.859 1.00 28.03 N ATOM 1097 CA LEU C 38 -3.569 -16.371 -3.206 1.00 30.37 C ATOM 1098 C LEU C 38 -4.676 -16.333 -4.261 1.00 31.29 C ATOM 1099 O LEU C 38 -4.748 -15.396 -5.054 1.00 30.01 O ATOM 1100 CB LEU C 38 -2.562 -17.472 -3.546 1.00 30.19 C ATOM 1101 CG LEU C 38 -1.855 -17.364 -4.898 1.00 31.64 C ATOM 1102 CD1 LEU C 38 -1.058 -16.067 -4.964 1.00 31.46 C ATOM 1103 CD2 LEU C 38 -0.941 -18.565 -5.087 1.00 30.75 C ATOM 1104 N LYS C 39 -5.538 -17.347 -4.270 1.00 33.13 N ATOM 1105 CA LYS C 39 -6.629 -17.393 -5.241 1.00 34.27 C ATOM 1106 C LYS C 39 -7.509 -16.150 -5.142 1.00 33.90 C ATOM 1107 O LYS C 39 -8.106 -15.720 -6.132 1.00 33.18 O ATOM 1108 CB LYS C 39 -7.487 -18.644 -5.030 1.00 37.47 C ATOM 1109 CG LYS C 39 -8.628 -18.790 -6.033 1.00 40.62 C ATOM 1110 CD LYS C 39 -9.479 -20.017 -5.732 1.00 43.52 C ATOM 1111 CE LYS C 39 -10.618 -20.164 -6.734 1.00 45.19 C ATOM 1112 NZ LYS C 39 -11.517 -21.306 -6.401 1.00 45.25 N ATOM 1113 N GLY C 40 -7.580 -15.575 -3.945 1.00 33.51 N ATOM 1114 CA GLY C 40 -8.388 -14.386 -3.736 1.00 34.05 C ATOM 1115 C GLY C 40 -7.850 -13.162 -4.453 1.00 34.86 C ATOM 1116 O GLY C 40 -8.555 -12.161 -4.610 1.00 33.93 O ATOM 1117 N PHE C 41 -6.597 -13.240 -4.890 1.00 35.33 N ATOM 1118 CA PHE C 41 -5.957 -12.136 -5.599 1.00 36.83 C ATOM 1119 C PHE C 41 -5.907 -12.376 -7.105 1.00 38.61 C ATOM 1120 O PHE C 41 -5.458 -11.514 -7.861 1.00 37.65 O ATOM 1121 CB PHE C 41 -4.533 -11.922 -5.080 1.00 35.49 C ATOM 1122 CG PHE C 41 -4.469 -11.305 -3.707 1.00 35.25 C ATOM 1123 CD1 PHE C 41 -3.840 -11.969 -2.661 1.00 33.19 C ATOM 1124 CD2 PHE C 41 -5.034 -10.057 -3.460 1.00 34.96 C ATOM 1125 CE1 PHE C 41 -3.775 -11.398 -1.386 1.00 33.93 C ATOM 1126 CE2 PHE C 41 -4.975 -9.478 -2.188 1.00 34.17 C ATOM 1127 CZ PHE C 41 -4.344 -10.152 -1.153 1.00 32.52 C ATOM 1128 N ARG C 42 -6.361 -13.550 -7.534 1.00 40.48 N ATOM 1129 CA ARG C 42 -6.361 -13.893 -8.951 1.00 43.43 C ATOM 1130 C ARG C 42 -7.149 -12.888 -9.782 1.00 44.72 C ATOM 1131 O ARG C 42 -6.708 -12.493 -10.860 1.00 44.95 O ATOM 1132 CB ARG C 42 -6.924 -15.304 -9.159 1.00 44.48 C ATOM 1133 CG ARG C 42 -5.861 -16.397 -9.266 1.00 47.27 C ATOM 1134 CD ARG C 42 -4.865 -16.327 -8.119 1.00 49.62 C ATOM 1135 NE ARG C 42 -3.808 -17.332 -8.228 1.00 51.54 N ATOM 1136 CZ ARG C 42 -3.960 -18.621 -7.939 1.00 53.06 C ATOM 1137 NH1 ARG C 42 -5.132 -19.077 -7.518 1.00 52.60 N ATOM 1138 NH2 ARG C 42 -2.936 -19.454 -8.068 1.00 54.19 N ATOM 1139 N SER C 43 -8.310 -12.472 -9.282 1.00 45.49 N ATOM 1140 CA SER C 43 -9.140 -11.507 -9.996 1.00 47.85 C ATOM 1141 C SER C 43 -8.378 -10.207 -10.195 1.00 48.50 C ATOM 1142 O SER C 43 -8.307 -9.678 -11.301 1.00 48.16 O ATOM 1143 CB SER C 43 -10.424 -11.225 -9.216 1.00 48.99 C ATOM 1144 OG SER C 43 -11.189 -12.403 -9.054 1.00 52.45 O ATOM 1145 N SER C 44 -7.807 -9.701 -9.109 1.00 49.93 N ATOM 1146 CA SER C 44 -7.046 -8.463 -9.148 1.00 51.51 C ATOM 1147 C SER C 44 -5.886 -8.552 -10.140 1.00 52.78 C ATOM 1148 O SER C 44 -5.546 -7.569 -10.799 1.00 52.57 O ATOM 1149 CB SER C 44 -6.513 -8.139 -7.750 1.00 51.47 C ATOM 1150 OG SER C 44 -5.809 -6.910 -7.739 1.00 52.79 O HETATM 1151 N MSE C 45 -5.283 -9.732 -10.247 1.00 54.15 N HETATM 1152 CA MSE C 45 -4.159 -9.932 -11.158 1.00 56.17 C HETATM 1153 C MSE C 45 -4.582 -9.973 -12.624 1.00 57.20 C HETATM 1154 O MSE C 45 -3.753 -9.802 -13.519 1.00 56.08 O HETATM 1155 CB MSE C 45 -3.400 -11.212 -10.792 1.00 56.79 C HETATM 1156 CG MSE C 45 -2.581 -11.085 -9.514 1.00 57.66 C HETATM 1157 SE MSE C 45 -1.530 -12.653 -9.119 1.00 60.03 HETATM 1158 CE MSE C 45 -2.618 -13.399 -7.706 1.00 59.54 C ATOM 1159 N LYS C 46 -5.868 -10.203 -12.868 1.00 58.55 N ATOM 1160 CA LYS C 46 -6.384 -10.235 -14.232 1.00 60.09 C ATOM 1161 C LYS C 46 -6.691 -8.799 -14.638 1.00 60.61 C ATOM 1162 O LYS C 46 -6.821 -8.488 -15.821 1.00 61.24 O ATOM 1163 CB LYS C 46 -7.669 -11.061 -14.313 1.00 60.47 C ATOM 1164 CG LYS C 46 -7.557 -12.477 -13.787 1.00 61.73 C ATOM 1165 CD LYS C 46 -8.871 -13.217 -13.984 1.00 62.95 C ATOM 1166 CE LYS C 46 -8.886 -14.540 -13.238 1.00 64.41 C ATOM 1167 NZ LYS C 46 -8.802 -14.342 -11.762 1.00 64.55 N ATOM 1168 N ASN C 47 -6.805 -7.929 -13.638 1.00 61.16 N ATOM 1169 CA ASN C 47 -7.105 -6.523 -13.865 1.00 61.95 C ATOM 1170 C ASN C 47 -5.836 -5.700 -14.053 1.00 61.87 C ATOM 1171 O ASN C 47 -5.898 -4.490 -14.275 1.00 62.10 O ATOM 1172 CB ASN C 47 -7.914 -5.966 -12.693 1.00 62.83 C ATOM 1173 CG ASN C 47 -9.126 -6.817 -12.370 1.00 63.95 C ATOM 1174 OD1 ASN C 47 -9.888 -7.193 -13.260 1.00 64.27 O ATOM 1175 ND2 ASN C 47 -9.313 -7.122 -11.090 1.00 64.60 N ATOM 1176 N THR C 48 -4.685 -6.357 -13.956 1.00 61.64 N ATOM 1177 CA THR C 48 -3.406 -5.681 -14.133 1.00 62.21 C ATOM 1178 C THR C 48 -3.077 -5.727 -15.621 1.00 62.90 C ATOM 1179 O THR C 48 -1.992 -5.342 -16.057 1.00 63.04 O ATOM 1180 CB THR C 48 -2.292 -6.377 -13.324 1.00 62.46 C ATOM 1181 OG1 THR C 48 -2.709 -6.509 -11.959 1.00 63.23 O ATOM 1182 CG2 THR C 48 -1.010 -5.555 -13.363 1.00 61.27 C ATOM 1183 N LEU C 49 -4.046 -6.214 -16.388 1.00 63.45 N ATOM 1184 CA LEU C 49 -3.950 -6.325 -17.837 1.00 64.11 C ATOM 1185 C LEU C 49 -5.322 -5.956 -18.377 1.00 65.43 C ATOM 1186 O LEU C 49 -5.523 -5.832 -19.585 1.00 65.50 O ATOM 1187 CB LEU C 49 -3.595 -7.756 -18.243 1.00 62.07 C ATOM 1188 CG LEU C 49 -2.104 -8.094 -18.262 1.00 61.82 C ATOM 1189 CD1 LEU C 49 -1.900 -9.603 -18.276 1.00 60.12 C ATOM 1190 CD2 LEU C 49 -1.467 -7.447 -19.485 1.00 60.49 C ATOM 1191 N LYS C 50 -6.262 -5.783 -17.451 1.00 67.82 N ATOM 1192 CA LYS C 50 -7.636 -5.425 -17.773 1.00 69.82 C ATOM 1193 C LYS C 50 -8.321 -6.502 -18.611 1.00 70.78 C ATOM 1194 O LYS C 50 -8.203 -6.521 -19.837 1.00 71.01 O ATOM 1195 CB LYS C 50 -7.666 -4.079 -18.501 1.00 70.46 C ATOM 1196 CG LYS C 50 -7.113 -2.930 -17.665 1.00 71.93 C ATOM 1197 CD LYS C 50 -7.239 -1.594 -18.381 1.00 73.04 C ATOM 1198 CE LYS C 50 -6.695 -0.460 -17.523 1.00 74.03 C ATOM 1199 NZ LYS C 50 -7.413 -0.350 -16.221 1.00 75.01 N ATOM 1200 N SER C 51 -9.038 -7.397 -17.932 1.00 71.77 N ATOM 1201 CA SER C 51 -9.751 -8.492 -18.585 1.00 72.27 C ATOM 1202 C SER C 51 -8.754 -9.306 -19.411 1.00 72.49 C ATOM 1203 O SER C 51 -7.597 -9.461 -19.015 1.00 72.56 O ATOM 1204 CB SER C 51 -10.861 -7.931 -19.484 1.00 72.68 C ATOM 1205 OG SER C 51 -11.710 -8.956 -19.968 1.00 73.17 O ATOM 1206 N VAL C 52 -9.204 -9.833 -20.546 1.00 72.28 N ATOM 1207 CA VAL C 52 -8.330 -10.603 -21.427 1.00 71.95 C ATOM 1208 C VAL C 52 -7.517 -9.603 -22.245 1.00 71.80 C ATOM 1209 O VAL C 52 -7.451 -9.683 -23.474 1.00 71.62 O ATOM 1210 CB VAL C 52 -9.147 -11.510 -22.376 1.00 71.88 C ATOM 1211 CG1 VAL C 52 -9.777 -12.647 -21.590 1.00 71.79 C ATOM 1212 CG2 VAL C 52 -10.229 -10.694 -23.076 1.00 71.65 C ATOM 1213 N LEU C 53 -6.892 -8.670 -21.529 1.00 71.45 N ATOM 1214 CA LEU C 53 -6.090 -7.597 -22.111 1.00 70.88 C ATOM 1215 C LEU C 53 -6.724 -7.005 -23.363 1.00 70.66 C ATOM 1216 O LEU C 53 -6.345 -7.332 -24.488 1.00 70.93 O ATOM 1217 CB LEU C 53 -4.651 -8.063 -22.400 1.00 70.71 C ATOM 1218 CG LEU C 53 -4.298 -9.286 -23.250 1.00 70.29 C ATOM 1219 CD1 LEU C 53 -2.823 -9.217 -23.612 1.00 70.12 C ATOM 1220 CD2 LEU C 53 -4.594 -10.569 -22.495 1.00 70.10 C ATOM 1221 N GLU C 54 -7.700 -6.126 -23.144 1.00 70.28 N ATOM 1222 CA GLU C 54 -8.419 -5.459 -24.222 1.00 70.51 C ATOM 1223 C GLU C 54 -9.069 -6.461 -25.170 1.00 70.41 C ATOM 1224 O GLU C 54 -10.231 -6.832 -24.993 1.00 70.21 O ATOM 1225 CB GLU C 54 -7.470 -4.544 -25.001 1.00 70.77 C ATOM 1226 CG GLU C 54 -6.918 -3.372 -24.196 1.00 71.39 C ATOM 1227 CD GLU C 54 -7.982 -2.349 -23.836 1.00 72.60 C ATOM 1228 OE1 GLU C 54 -8.909 -2.689 -23.069 1.00 72.57 O ATOM 1229 OE2 GLU C 54 -7.890 -1.201 -24.323 1.00 73.07 O TER 1231 GLU C 54 HETATM 1231 O HOH A 61 -8.135 -5.975 16.723 1.00 10.28 O HETATM 1232 O HOH A 62 -5.447 -9.642 12.155 1.00 11.38 O HETATM 1233 O HOH A 63 -10.121 -7.516 18.052 1.00 11.46 O HETATM 1234 O HOH A 64 -10.122 -11.925 16.347 1.00 17.20 O HETATM 1235 O HOH A 65 -20.849 2.249 4.081 1.00 16.19 O HETATM 1236 O HOH A 66 -2.191 -4.282 13.704 1.00 14.17 O HETATM 1237 O HOH A 67 -9.611 -3.674 20.323 1.00 18.11 O HETATM 1238 O HOH A 68 -16.726 2.683 15.684 1.00 15.02 O HETATM 1239 O HOH A 69 -15.250 -2.619 17.732 1.00 19.18 O HETATM 1240 O HOH A 70 6.152 3.494 8.180 1.00 19.04 O HETATM 1241 O HOH A 71 -5.615 -6.842 16.728 1.00 16.39 O HETATM 1242 O HOH A 72 0.536 -4.744 18.689 1.00 22.92 O HETATM 1243 O HOH A 73 -25.196 -0.228 8.234 1.00 18.16 O HETATM 1244 O HOH A 74 -21.244 1.961 13.846 1.00 20.69 O HETATM 1245 O HOH A 75 -12.154 1.951 15.925 1.00 19.69 O HETATM 1246 O HOH A 76 -22.856 2.884 2.388 1.00 19.41 O HETATM 1247 O HOH A 77 -1.736 -2.354 15.447 1.00 18.53 O HETATM 1248 O HOH A 78 -15.276 -15.876 13.444 1.00 18.71 O HETATM 1249 O HOH A 79 3.021 4.185 8.037 1.00 21.58 O HETATM 1250 O HOH A 80 -20.685 3.778 8.791 1.00 19.98 O HETATM 1251 O HOH A 81 -1.646 -5.009 16.742 1.00 24.13 O HETATM 1252 O HOH A 82 -13.908 3.692 12.235 1.00 23.96 O HETATM 1253 O HOH A 83 -16.110 4.635 8.792 1.00 25.10 O HETATM 1254 O HOH A 84 -5.003 -9.652 17.214 1.00 29.40 O HETATM 1255 O HOH A 85 -10.582 3.920 5.748 1.00 22.60 O HETATM 1256 O HOH A 86 -19.922 -7.065 14.765 1.00 32.06 O HETATM 1257 O HOH A 87 -1.189 6.107 6.559 1.00 26.48 O HETATM 1258 O HOH A 88 -17.007 4.869 3.985 1.00 29.09 O HETATM 1259 O HOH A 89 -1.195 4.532 2.037 1.00 24.63 O HETATM 1260 O HOH A 90 -16.620 2.187 2.992 1.00 28.51 O HETATM 1261 O HOH A 91 -8.772 4.260 8.290 1.00 26.24 O HETATM 1262 O HOH A 92 -5.108 7.108 7.890 1.00 27.01 O HETATM 1263 O HOH A 93 -19.349 -1.731 5.420 1.00 27.29 O HETATM 1264 O HOH A 94 -20.965 -0.398 7.648 1.00 20.52 O HETATM 1265 O HOH A 95 -8.045 -1.318 17.365 1.00 24.80 O HETATM 1266 O HOH A 96 -3.725 -6.520 14.496 1.00 23.45 O HETATM 1267 O HOH A 97 -7.454 7.460 4.002 1.00 24.41 O HETATM 1268 O HOH A 98 -1.346 -2.546 -1.127 1.00 26.91 O HETATM 1269 O HOH A 99 -9.289 6.848 8.888 1.00 27.63 O HETATM 1270 O HOH A 100 -17.940 -5.807 6.178 1.00 31.58 O HETATM 1271 O HOH A 101 -15.647 -4.576 5.993 1.00 23.26 O HETATM 1272 O HOH A 102 -7.757 -3.716 18.276 1.00 33.69 O HETATM 1273 O HOH A 103 -2.906 5.694 8.660 1.00 39.89 O HETATM 1274 O HOH A 104 -10.712 5.427 14.844 1.00 24.15 O HETATM 1275 O HOH A 105 -8.337 -5.555 -8.025 1.00 28.81 O HETATM 1276 O HOH A 106 -7.011 3.622 14.390 1.00 24.21 O HETATM 1277 O HOH A 107 -23.781 -3.560 6.957 1.00 32.24 O HETATM 1278 O HOH A 108 -15.370 1.465 0.785 1.00 36.52 O HETATM 1279 O HOH A 109 -9.807 -1.072 -5.393 1.00 30.04 O HETATM 1280 O HOH A 110 4.477 3.275 5.231 1.00 33.14 O HETATM 1281 O HOH A 111 -13.482 -3.119 -0.191 1.00 29.13 O HETATM 1282 O HOH A 112 -20.791 -6.707 19.271 1.00 28.96 O HETATM 1283 O HOH A 113 -10.660 3.439 -0.503 1.00 30.27 O HETATM 1284 O HOH A 114 -18.742 0.731 3.124 1.00 31.60 O HETATM 1285 O HOH A 115 3.083 0.952 -10.727 1.00 40.30 O HETATM 1286 O HOH A 116 -12.052 7.940 14.893 1.00 40.52 O HETATM 1287 O HOH A 117 -11.575 -5.873 19.932 0.50 46.40 O HETATM 1288 O HOH A 118 -9.639 -10.142 18.572 1.00 41.47 O HETATM 1289 O HOH A 119 -21.674 -8.121 16.890 1.00 39.51 O HETATM 1290 O HOH A 120 2.256 3.353 0.554 1.00 40.03 O HETATM 1291 O HOH A 121 -5.257 -3.577 19.989 1.00 31.25 O HETATM 1292 O HOH A 122 -20.010 -9.592 4.955 1.00 39.04 O HETATM 1293 O HOH A 123 -4.663 -1.000 19.036 1.00 51.38 O HETATM 1294 O HOH A 124 -9.471 8.010 5.362 1.00 42.71 O HETATM 1295 O HOH A 125 -1.645 -8.299 12.703 1.00 52.61 O HETATM 1296 O HOH A 126 -11.569 2.323 18.753 1.00 46.96 O HETATM 1297 O HOH A 127 -26.451 -4.444 10.546 1.00 67.09 O HETATM 1298 O HOH A 128 -15.471 5.118 6.338 1.00 19.32 O HETATM 1299 O HOH A 129 0.497 9.969 4.962 1.00 25.67 O HETATM 1300 O HOH A 130 0.687 8.715 7.597 1.00 43.22 O HETATM 1301 O HOH A 131 -19.328 -11.333 19.203 1.00 57.46 O HETATM 1302 O HOH A 133 8.776 0.563 -22.331 1.00 74.72 O HETATM 1303 O HOH A 134 -9.744 0.863 17.415 1.00 40.89 O HETATM 1304 O HOH A 135 -15.397 -7.886 3.430 1.00 35.22 O HETATM 1305 O HOH A 136 -10.664 -22.438 18.198 1.00 54.67 O HETATM 1306 O HOH A 137 -9.618 -19.064 15.264 1.00 33.29 O HETATM 1307 O HOH A 138 -10.065 -21.749 14.998 1.00 47.28 O TER 1309 HOH A 138 HETATM 1309 O HOH B 61 2.765 -10.814 13.923 1.00 9.09 O HETATM 1310 O HOH B 62 -0.011 -0.588 16.637 1.00 11.28 O HETATM 1311 O HOH B 63 11.023 -16.994 6.861 1.00 12.68 O HETATM 1312 O HOH B 64 -0.162 -5.420 12.061 1.00 10.74 O HETATM 1313 O HOH B 65 -1.474 1.636 17.028 1.00 16.92 O HETATM 1314 O HOH B 66 4.890 -4.946 16.994 1.00 14.60 O HETATM 1315 O HOH B 67 10.450 0.073 17.639 1.00 20.79 O HETATM 1316 O HOH B 68 9.336 0.855 5.909 1.00 15.63 O HETATM 1317 O HOH B 69 15.696 -4.058 12.059 1.00 22.94 O HETATM 1318 O HOH B 70 4.273 -13.106 -1.115 1.00 19.01 O HETATM 1319 O HOH B 71 2.828 -6.412 17.607 1.00 25.84 O HETATM 1320 O HOH B 72 5.366 -21.885 8.453 1.00 18.68 O HETATM 1321 O HOH B 73 13.932 -7.391 5.856 1.00 24.15 O HETATM 1322 O HOH B 74 4.222 -11.953 15.837 1.00 18.07 O HETATM 1323 O HOH B 75 13.414 -9.195 8.496 1.00 18.98 O HETATM 1324 O HOH B 76 5.957 -20.304 5.510 1.00 26.53 O HETATM 1325 O HOH B 77 17.406 -2.842 9.027 1.00 24.51 O HETATM 1326 O HOH B 78 13.609 -7.237 -0.712 1.00 25.59 O HETATM 1327 O HOH B 79 6.874 -6.153 18.382 1.00 31.74 O HETATM 1328 O HOH B 80 14.446 -8.792 12.522 1.00 36.83 O HETATM 1329 O HOH B 81 9.384 -6.354 17.221 1.00 25.93 O HETATM 1330 O HOH B 82 6.955 -16.115 -6.918 1.00 29.04 O HETATM 1331 O HOH B 83 5.532 -11.936 20.394 1.00 30.38 O HETATM 1332 O HOH B 84 5.594 5.577 12.653 1.00 27.63 O HETATM 1333 O HOH B 85 1.198 -6.937 3.747 1.00 25.82 O HETATM 1334 O HOH B 86 13.944 -13.904 7.904 1.00 34.45 O HETATM 1335 O HOH B 87 14.461 6.232 13.653 1.00 32.72 O HETATM 1336 O HOH B 88 -0.067 -9.163 6.455 1.00 25.50 O HETATM 1337 O HOH B 89 12.985 -4.977 16.100 1.00 26.25 O HETATM 1338 O HOH B 90 15.879 -0.774 15.724 1.00 27.21 O HETATM 1339 O HOH B 91 3.270 -16.724 -6.720 1.00 33.64 O HETATM 1340 O HOH B 92 8.175 -7.135 -7.462 1.00 38.34 O HETATM 1341 O HOH B 93 12.848 -9.909 -2.818 1.00 33.92 O HETATM 1342 O HOH B 94 14.840 5.297 16.218 1.00 35.33 O HETATM 1343 O HOH B 95 6.280 -8.705 19.290 1.00 29.39 O HETATM 1344 O HOH B 96 10.995 -13.923 0.712 1.00 29.20 O HETATM 1345 O HOH B 97 9.642 -3.600 20.705 1.00 36.23 O HETATM 1346 O HOH B 98 4.224 -10.710 18.421 1.00 40.93 O HETATM 1347 O HOH B 99 7.804 -11.443 18.448 1.00 45.04 O HETATM 1348 O HOH B 100 9.572 -7.011 -5.149 1.00 29.94 O HETATM 1349 O HOH B 101 15.121 -8.154 1.640 1.00 62.65 O HETATM 1350 O HOH B 102 13.625 -15.186 0.504 1.00 36.71 O HETATM 1351 O HOH B 103 8.072 -16.051 -2.637 1.00 40.03 O HETATM 1352 O HOH B 104 9.357 -13.606 -1.577 1.00 49.80 O HETATM 1353 O HOH B 105 5.805 0.506 -1.118 1.00 44.09 O HETATM 1354 O HOH B 106 1.580 -9.806 4.253 1.00 52.48 O HETATM 1355 O HOH B 107 13.115 -8.485 15.575 1.00 62.09 O HETATM 1356 O HOH B 108 8.305 5.822 14.034 1.00 63.87 O HETATM 1357 O HOH B 109 11.399 4.015 18.497 1.00 25.64 O HETATM 1358 O HOH B 110 16.184 -6.666 12.729 1.00 58.95 O HETATM 1359 O HOH B 111 10.519 -9.972 16.053 1.00 27.16 O HETATM 1360 O HOH B 112 15.368 -1.516 2.665 1.00 24.33 O HETATM 1361 O HOH B 113 15.477 1.009 2.829 1.00 35.09 O HETATM 1362 O HOH B 114 18.860 -6.772 -0.367 1.00 52.89 O TER 1364 HOH B 114 HETATM 1364 O HOH C 132 6.135 -30.007 10.550 1.00 58.66 O HETATM 1365 O HOH C 133 9.767 -16.967 19.571 1.00 31.70 O HETATM 1366 O HOH C 134 0.767 -11.884 12.557 1.00 12.41 O HETATM 1367 O HOH C 135 1.516 -23.078 5.408 1.00 34.88 O HETATM 1368 O HOH C 136 1.723 -23.878 7.769 1.00 36.86 O HETATM 1369 O HOH C 137 11.775 -21.113 19.125 1.00 25.79 O HETATM 1370 O HOH C 138 11.008 -19.648 17.197 1.00 24.06 O HETATM 1371 O HOH C 139 -5.804 -23.279 16.974 1.00 21.58 O HETATM 1372 O HOH C 140 10.246 -20.406 14.744 1.00 13.13 O HETATM 1373 O HOH C 141 -7.714 -12.623 15.271 1.00 16.13 O HETATM 1374 O HOH C 142 -1.815 -30.558 16.222 1.00 18.56 O HETATM 1375 O HOH C 143 5.249 -14.378 16.853 1.00 17.04 O HETATM 1376 O HOH C 144 9.167 -21.480 20.568 1.00 20.91 O HETATM 1377 O HOH C 145 -15.350 -23.058 6.261 1.00 23.32 O HETATM 1378 O HOH C 146 1.890 -30.201 17.111 1.00 21.31 O HETATM 1379 O HOH C 147 -16.095 -9.267 7.748 1.00 24.44 O HETATM 1380 O HOH C 148 -11.272 -17.306 9.836 1.00 21.10 O HETATM 1381 O HOH C 149 -5.524 -11.676 14.013 1.00 22.85 O HETATM 1382 O HOH C 150 -3.767 -27.089 17.791 1.00 24.49 O HETATM 1383 O HOH C 151 1.309 -19.847 9.869 1.00 26.66 O HETATM 1384 O HOH C 152 -1.566 -16.339 17.336 1.00 23.44 O HETATM 1385 O HOH C 153 -15.066 -11.698 7.614 1.00 30.51 O HETATM 1386 O HOH C 154 -14.199 -21.577 4.308 1.00 22.20 O HETATM 1387 O HOH C 155 -8.318 -10.257 -6.387 1.00 29.35 O HETATM 1388 O HOH C 156 9.856 -24.351 16.768 1.00 39.58 O HETATM 1389 O HOH C 157 -7.035 -12.642 -1.063 1.00 31.29 O HETATM 1390 O HOH C 158 -14.746 -10.194 4.894 1.00 33.28 O HETATM 1391 O HOH C 159 -7.803 -23.644 6.289 1.00 27.57 O HETATM 1392 O HOH C 160 -8.453 -26.049 7.493 1.00 28.36 O HETATM 1393 O HOH C 161 -6.560 -28.118 8.070 1.00 26.88 O HETATM 1394 O HOH C 162 -19.156 -16.219 5.236 1.00 30.07 O HETATM 1395 O HOH C 163 10.406 -23.033 14.379 1.00 31.58 O HETATM 1396 O HOH C 164 -9.315 -21.717 8.433 1.00 26.27 O HETATM 1397 O HOH C 165 -1.071 -10.556 14.190 1.00 22.96 O HETATM 1398 O HOH C 166 7.228 -14.341 18.899 1.00 52.37 O HETATM 1399 O HOH C 167 -0.651 -31.769 10.069 1.00 27.25 O HETATM 1400 O HOH C 168 7.058 -22.814 13.003 1.00 32.54 O HETATM 1401 O HOH C 169 -1.832 -11.164 6.222 1.00 30.38 O HETATM 1402 O HOH C 170 5.855 -25.440 16.335 1.00 31.73 O HETATM 1403 O HOH C 171 -11.618 -18.151 0.801 1.00 40.08 O HETATM 1404 O HOH C 172 -14.153 -12.126 0.532 1.00 33.98 O HETATM 1405 O HOH C 173 -8.048 -26.289 16.745 1.00 61.21 O HETATM 1406 O HOH C 174 -4.178 -20.752 -4.625 1.00 39.81 O HETATM 1407 O HOH C 175 -10.386 -16.944 -2.534 1.00 34.31 O HETATM 1408 O HOH C 176 -13.691 -20.108 0.771 1.00 40.35 O HETATM 1409 O HOH C 177 -5.711 -20.511 17.923 1.00 48.68 O HETATM 1410 O HOH C 178 -2.971 -12.171 14.881 1.00 40.25 O HETATM 1411 O HOH C 179 -1.721 -32.587 14.391 1.00 31.33 O HETATM 1412 O HOH C 180 -2.940 -28.640 5.225 1.00 36.70 O HETATM 1413 O HOH C 181 -2.013 -13.592 17.331 1.00 32.98 O HETATM 1414 O HOH C 182 3.501 -20.751 -0.997 1.00 42.34 O HETATM 1415 O HOH C 183 -11.361 -23.802 8.137 1.00 39.09 O HETATM 1416 O HOH C 184 -12.811 -7.851 -12.090 1.00 56.71 O HETATM 1417 O HOH C 185 -20.589 -11.886 3.587 1.00 49.86 O HETATM 1418 O HOH C 186 8.141 -28.807 9.089 1.00 58.08 O HETATM 1419 O HOH C 187 -12.112 -10.208 -6.118 1.00 54.68 O HETATM 1420 O HOH C 188 -10.164 -22.290 5.079 1.00 74.24 O HETATM 1421 O HOH C 189 -10.037 -25.669 9.676 1.00 51.20 O HETATM 1422 O HOH C 190 -11.244 -20.934 -25.622 1.00 50.77 O HETATM 1423 O HOH C 191 -15.550 -12.891 -2.013 1.00 78.56 O HETATM 1424 O HOH C 192 -13.195 -15.428 1.904 1.00 26.18 O HETATM 1425 O HOH C 193 -14.884 -16.246 6.454 1.00 18.94 O HETATM 1426 O HOH C 194 -13.817 -17.615 8.313 1.00 21.94 O HETATM 1427 O HOH C 195 -12.018 -28.578 8.186 1.00 28.81 O HETATM 1428 O HOH C 196 -15.260 -26.674 8.740 1.00 36.42 O TER 1429 HOH C 196 ENDMDL MASTER END