HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-MAY-07 2Q00 TITLE CRYSTAL STRUCTURE OF THE P95883_SULSO PROTEIN FROM TITLE 2 SULFOLOBUS SOLFATARICUS. NESG TARGET SSR10. COMPND MOL_ID: 1; COMPND 2 MOLECULE: ORF C02003 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 STRAIN: P2, DSM 1617, JCM 11322; SOURCE 5 ATCC: 35092; SOURCE 6 GENE: ORF C02003, SSO2109; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS P95883, NESG, SSO2109, STRUCTURAL GENOMICS, PSI-2, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG,L.OWENS,L-C.MA, AUTHOR 2 K.CUNNINGHAM,Y.FANG,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 2Q00 1 VERSN REVDAT 1 29-MAY-07 2Q00 0 JRNL AUTH S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG,L.OWENS, JRNL AUTH 2 L-C.MA,K.CUNNINGHAM,Y.FANG,R.XIAO,T.B.ACTON, JRNL AUTH 3 G.T.MONTELIONE,L.TONG,J.F.HUNT JRNL TITL CRYSTAL STRUCTURE OF THE P95883_SULSO PROTEIN FROM JRNL TITL 2 SULFOLOBUS SOLFATARICUS. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.03 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 418136.470 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 84.1 REMARK 3 NUMBER OF REFLECTIONS : 21798 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) : 0.225 REMARK 3 FREE R VALUE : 0.265 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.000 REMARK 3 FREE R VALUE TEST SET COUNT : 868 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.009 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) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.55 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 64.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2627 REMARK 3 BIN R VALUE (WORKING SET) : 0.2510 REMARK 3 BIN FREE R VALUE : 0.2660 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 129 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.023 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1913 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 29 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 20.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 57.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 6.18000 REMARK 3 B22 (A**2) : 6.18000 REMARK 3 B33 (A**2) : -12.35000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.31 REMARK 3 ESD FROM SIGMAA (A) : 0.24 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) : 0.37 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.30 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 17.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.72 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.31 REMARK 3 BSOL : 42.51 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FRIEDEL PAIRS WERE USED FOR REMARK 3 PHASING REMARK 4 REMARK 4 2Q00 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-MAY-07. REMARK 100 THE RCSB ID CODE IS RCSB042977. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAY-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 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) : 0.97909 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25384 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.4 REMARK 200 DATA REDUNDANCY : 3.800 REMARK 200 R MERGE (I) : 0.05300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 26.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.50 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.54500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SIRAS REMARK 200 SOFTWARE USED: SHELXD/E, RESOLVE 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 (%): 56.58 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.83 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 % PEG 4000, 0.1 M AMMONIUM REMARK 280 THIOCYANATE, 0.1 M MES, PH 6.0, MICROBATCH UNDER OIL, REMARK 280 TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 3555 -Y,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X,Z+3/4 REMARK 290 5555 -X+1/2,Y,-Z+3/4 REMARK 290 6555 X,-Y+1/2,-Z+1/4 REMARK 290 7555 Y+1/2,X+1/2,-Z+1/2 REMARK 290 8555 -Y,-X,-Z REMARK 290 9555 X+1/2,Y+1/2,Z+1/2 REMARK 290 10555 -X,-Y,Z REMARK 290 11555 -Y+1/2,X,Z+3/4 REMARK 290 12555 Y,-X+1/2,Z+1/4 REMARK 290 13555 -X,Y+1/2,-Z+1/4 REMARK 290 14555 X+1/2,-Y,-Z+3/4 REMARK 290 15555 Y,X,-Z REMARK 290 16555 -Y+1/2,-X+1/2,-Z+1/2 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 43.96350 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 43.96350 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 88.43500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 44.21750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 43.96350 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 132.65250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 132.65250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 43.96350 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 44.21750 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 43.96350 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 88.43500 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 43.96350 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 88.43500 REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 43.96350 REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 132.65250 REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 44.21750 REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 43.96350 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 44.21750 REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 132.65250 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 43.96350 REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 43.96350 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 88.43500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 ASN A 56 REMARK 465 LYS A 57 REMARK 465 HIS A 124 REMARK 465 HIS A 125 REMARK 465 HIS A 126 REMARK 465 HIS A 127 REMARK 465 HIS A 128 REMARK 465 HIS A 129 REMARK 465 MET B 1 REMARK 465 SER B 2 REMARK 465 HIS B 125 REMARK 465 HIS B 126 REMARK 465 HIS B 127 REMARK 465 HIS B 128 REMARK 465 HIS B 129 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 12 CG CD OE1 OE2 REMARK 470 LYS A 48 CG CD CE NZ REMARK 470 LYS A 55 CG CD CE NZ REMARK 470 LYS A 70 CG CD CE NZ REMARK 470 ARG A 73 CG CD NE CZ NH1 NH2 REMARK 470 ASN A 100 CG OD1 ND2 REMARK 470 LYS A 102 CG CD CE NZ REMARK 470 GLU A 123 CG CD OE1 OE2 REMARK 470 ILE B 3 CG1 CG2 CD1 REMARK 470 LYS B 55 CG CD CE NZ REMARK 470 ASN B 56 CG OD1 ND2 REMARK 470 LYS B 57 CG CD CE NZ REMARK 470 GLU B 96 CG CD OE1 OE2 REMARK 470 SER B 98 OG REMARK 470 ASN B 100 CG OD1 ND2 REMARK 470 LYS B 102 CG CD CE NZ REMARK 470 HIS B 124 CG ND1 CD2 CE1 NE2 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 ASN A 46 75.64 53.19 REMARK 500 LEU A 47 79.80 -106.96 REMARK 500 VAL A 91 -77.04 -69.14 REMARK 500 LYS B 55 34.58 -76.04 REMARK 500 LYS B 57 -73.46 -143.03 REMARK 500 GLU B 123 -89.78 -114.15 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 B 206 DISTANCE = 10.12 ANGSTROMS REMARK 525 HOH B 211 DISTANCE = 5.13 ANGSTROMS REMARK 525 HOH A 237 DISTANCE = 7.40 ANGSTROMS REMARK 525 HOH B 239 DISTANCE = 6.36 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SSR10 RELATED DB: TARGETDB DBREF 2Q00 A 1 121 UNP P95883 P95883_SULSO 1 121 DBREF 2Q00 B 1 121 UNP P95883 P95883_SULSO 1 121 SEQADV 2Q00 LEU A 122 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 GLU A 123 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 124 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 125 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 126 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 127 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 128 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS A 129 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 LEU B 122 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 GLU B 123 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 124 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 125 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 126 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 127 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 128 UNP P95883 CLONING ARTIFACT SEQADV 2Q00 HIS B 129 UNP P95883 CLONING ARTIFACT SEQRES 1 A 129 MET SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU SEQRES 2 A 129 ALA GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA SEQRES 3 A 129 CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE LYS SEQRES 4 A 129 LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR ASN SEQRES 5 A 129 ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN LEU SEQRES 6 A 129 PHE LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR GLU SEQRES 7 A 129 ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS VAL SEQRES 8 A 129 GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU VAL SEQRES 9 A 129 LYS LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE SEQRES 10 A 129 ALA VAL ASN SER LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 129 MET SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU SEQRES 2 B 129 ALA GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA SEQRES 3 B 129 CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE LYS SEQRES 4 B 129 LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR ASN SEQRES 5 B 129 ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN LEU SEQRES 6 B 129 PHE LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR GLU SEQRES 7 B 129 ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS VAL SEQRES 8 B 129 GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU VAL SEQRES 9 B 129 LYS LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE SEQRES 10 B 129 ALA VAL ASN SER LEU GLU HIS HIS HIS HIS HIS HIS FORMUL 3 HOH *29(H2 O) HELIX 1 1 THR A 5 LYS A 20 1 16 HELIX 2 2 ASP A 22 ASN A 46 1 25 HELIX 3 3 LEU A 47 ASN A 53 1 7 HELIX 4 4 LYS A 61 LEU A 72 1 12 HELIX 5 5 ARG A 73 ASN A 75 5 3 HELIX 6 6 GLU A 78 GLU A 92 1 15 HELIX 7 7 ASN A 100 GLU A 123 1 24 HELIX 8 8 THR B 5 LYS B 20 1 16 HELIX 9 9 ASP B 22 ASN B 45 1 24 HELIX 10 10 LEU B 47 LYS B 55 1 9 HELIX 11 11 LYS B 61 LEU B 72 1 12 HELIX 12 12 ARG B 73 ASN B 75 5 3 HELIX 13 13 GLU B 78 HIS B 95 1 18 HELIX 14 14 ASN B 100 LEU B 122 1 23 CRYST1 87.927 87.927 176.870 90.00 90.00 90.00 I 41 2 2 32 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 0.011373 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011373 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005654 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2Q00.PDB, MODEL/S 1 2Q00.PDB REMARK PdbStat -- SEQRES 1 A 271 SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU ALA SEQRES 2 A 271 GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA CYS SEQRES 3 A 271 GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE LYS LEU SEQRES 4 A 271 LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR ASN ASN SEQRES 5 A 271 VAL LYS GLY ARG TRP LYS SER GLU ASN LEU PHE LYS ALA SEQRES 6 A 271 SER LYS LEU LEU ARG SER ASN ASN THR GLU ILE PRO ILE SEQRES 7 A 271 LEU TRP LYS SER ALA TRP THR LEU HIS VAL GLU GLY PHE SEQRES 8 A 271 HIS GLU LEU SER LEU ASN GLU LYS GLU VAL LYS LYS LEU SEQRES 9 A 271 LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE ALA VAL ASN SEQRES 10 A 271 SER LEU GLU ILE SER THR SER ALA GLU VAL TYR TYR GLU SEQRES 11 A 271 GLU ALA GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN SEQRES 12 A 271 ALA CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE SEQRES 13 A 271 LYS LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR SEQRES 14 A 271 ASN ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN SEQRES 15 A 271 LEU PHE LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR SEQRES 16 A 271 GLU ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS SEQRES 17 A 271 VAL GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU SEQRES 18 A 271 VAL LYS LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE SEQRES 19 A 271 PHE ALA VAL ASN SER LEU GLU HIS HOH HOH HOH HOH HOH SEQRES 20 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2Q00.PDB, MODEL/S 1 2Q00.PDB REMARK PdbStat -- SEQRES 1 A 271 SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU ALA SEQRES 2 A 271 GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA CYS SEQRES 3 A 271 GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE LYS LEU SEQRES 4 A 271 LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR ASN ASN SEQRES 5 A 271 VAL LYS GLY ARG TRP LYS SER GLU ASN LEU PHE LYS ALA SEQRES 6 A 271 SER LYS LEU LEU ARG SER ASN ASN THR GLU ILE PRO ILE SEQRES 7 A 271 LEU TRP LYS SER ALA TRP THR LEU HIS VAL GLU GLY PHE SEQRES 8 A 271 HIS GLU LEU SER LEU ASN GLU LYS GLU VAL LYS LYS LEU SEQRES 9 A 271 LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE ALA VAL ASN SEQRES 10 A 271 SER LEU GLU ILE SER THR SER ALA GLU VAL TYR TYR GLU SEQRES 11 A 271 GLU ALA GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN SEQRES 12 A 271 ALA CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE SEQRES 13 A 271 LYS LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR SEQRES 14 A 271 ASN ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN SEQRES 15 A 271 LEU PHE LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR SEQRES 16 A 271 GLU ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS SEQRES 17 A 271 VAL GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU SEQRES 18 A 271 VAL LYS LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE SEQRES 19 A 271 PHE ALA VAL ASN SER LEU GLU HIS HOH HOH HOH HOH HOH SEQRES 20 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2Q00.PDB, MODEL/S 1 2Q00.PDB REMARK PdbStat -- SEQRES 1 A 271 SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU ALA SEQRES 2 A 271 GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA CYS SEQRES 3 A 271 GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE LYS LEU SEQRES 4 A 271 LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR ASN ASN SEQRES 5 A 271 VAL LYS GLY ARG TRP LYS SER GLU ASN LEU PHE LYS ALA SEQRES 6 A 271 SER LYS LEU LEU ARG SER ASN ASN THR GLU ILE PRO ILE SEQRES 7 A 271 LEU TRP LYS SER ALA TRP THR LEU HIS VAL GLU GLY PHE SEQRES 8 A 271 HIS GLU LEU SER LEU ASN GLU LYS GLU VAL LYS LYS LEU SEQRES 9 A 271 LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE ALA VAL ASN SEQRES 10 A 271 SER LEU GLU ILE SER THR SER ALA GLU VAL TYR TYR GLU SEQRES 11 A 271 GLU ALA GLU GLU PHE LEU SER LYS GLY ASP LEU VAL GLN SEQRES 12 A 271 ALA CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU ALA ILE SEQRES 13 A 271 LYS LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR SEQRES 14 A 271 ASN ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN SEQRES 15 A 271 LEU PHE LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR SEQRES 16 A 271 GLU ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS SEQRES 17 A 271 VAL GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU SEQRES 18 A 271 VAL LYS LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE SEQRES 19 A 271 PHE ALA VAL ASN SER LEU GLU HIS HOH HOH HOH HOH HOH SEQRES 20 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 271 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2Q00.pdb ATOM 1 N SER A 2 11.206 6.926 3.841 1.00 74.51 N ATOM 2 CA SER A 2 10.573 8.216 3.410 1.00 74.57 C ATOM 3 C SER A 2 9.310 7.952 2.594 1.00 71.93 C ATOM 4 O SER A 2 8.474 8.842 2.402 1.00 71.13 O ATOM 5 CB SER A 2 11.567 9.052 2.581 1.00 76.91 C ATOM 6 OG SER A 2 11.962 8.402 1.381 1.00 79.67 O ATOM 7 N ILE A 3 9.191 6.726 2.098 1.00 66.35 N ATOM 8 CA ILE A 3 8.028 6.327 1.316 1.00 63.20 C ATOM 9 C ILE A 3 7.482 5.068 1.974 1.00 59.08 C ATOM 10 O ILE A 3 8.231 4.129 2.254 1.00 57.78 O ATOM 11 CB ILE A 3 8.402 6.043 -0.159 1.00 63.35 C ATOM 12 CG1 ILE A 3 7.150 5.681 -0.952 1.00 61.83 C ATOM 13 CG2 ILE A 3 9.414 4.915 -0.238 1.00 63.56 C ATOM 14 CD1 ILE A 3 7.384 5.563 -2.435 1.00 64.64 C ATOM 15 N SER A 4 6.182 5.064 2.235 1.00 52.52 N ATOM 16 CA SER A 4 5.541 3.935 2.890 1.00 50.00 C ATOM 17 C SER A 4 5.733 2.600 2.177 1.00 46.90 C ATOM 18 O SER A 4 5.816 2.517 0.954 1.00 43.85 O ATOM 19 CB SER A 4 4.048 4.218 3.073 1.00 49.48 C ATOM 20 OG SER A 4 3.860 5.433 3.789 1.00 55.48 O ATOM 21 N THR A 5 5.817 1.546 2.971 1.00 47.27 N ATOM 22 CA THR A 5 5.985 0.207 2.445 1.00 44.34 C ATOM 23 C THR A 5 4.590 -0.302 2.157 1.00 41.72 C ATOM 24 O THR A 5 3.608 0.293 2.604 1.00 44.39 O ATOM 25 CB THR A 5 6.652 -0.693 3.491 1.00 46.57 C ATOM 26 OG1 THR A 5 5.870 -0.692 4.694 1.00 44.79 O ATOM 27 CG2 THR A 5 8.047 -0.172 3.816 1.00 45.18 C ATOM 28 N SER A 6 4.483 -1.376 1.389 1.00 39.44 N ATOM 29 CA SER A 6 3.168 -1.941 1.114 1.00 39.46 C ATOM 30 C SER A 6 2.556 -2.415 2.447 1.00 38.43 C ATOM 31 O SER A 6 1.345 -2.351 2.654 1.00 39.26 O ATOM 32 CB SER A 6 3.305 -3.120 0.158 1.00 39.45 C ATOM 33 OG SER A 6 4.222 -4.070 0.668 1.00 37.43 O ATOM 34 N ALA A 7 3.415 -2.875 3.351 1.00 39.22 N ATOM 35 CA ALA A 7 2.977 -3.351 4.666 1.00 41.91 C ATOM 36 C ALA A 7 2.277 -2.220 5.426 1.00 41.35 C ATOM 37 O ALA A 7 1.148 -2.385 5.908 1.00 42.49 O ATOM 38 CB ALA A 7 4.171 -3.853 5.460 1.00 39.71 C ATOM 39 N GLU A 8 2.946 -1.070 5.506 1.00 40.07 N ATOM 40 CA GLU A 8 2.402 0.098 6.195 1.00 39.11 C ATOM 41 C GLU A 8 1.086 0.580 5.614 1.00 41.09 C ATOM 42 O GLU A 8 0.198 1.029 6.349 1.00 47.69 O ATOM 43 CB GLU A 8 3.417 1.234 6.173 1.00 37.73 C ATOM 44 CG GLU A 8 4.643 0.952 7.010 1.00 44.22 C ATOM 45 CD GLU A 8 5.767 1.949 6.779 1.00 54.80 C ATOM 46 OE1 GLU A 8 6.372 1.919 5.681 1.00 60.50 O ATOM 47 OE2 GLU A 8 6.045 2.758 7.695 1.00 59.13 O ATOM 48 N VAL A 9 0.951 0.474 4.298 1.00 40.63 N ATOM 49 CA VAL A 9 -0.264 0.915 3.621 1.00 42.89 C ATOM 50 C VAL A 9 -1.466 0.027 3.934 1.00 42.50 C ATOM 51 O VAL A 9 -2.568 0.527 4.189 1.00 44.75 O ATOM 52 CB VAL A 9 -0.069 0.971 2.096 1.00 44.47 C ATOM 53 CG1 VAL A 9 -1.362 1.371 1.435 1.00 40.66 C ATOM 54 CG2 VAL A 9 1.018 1.971 1.754 1.00 44.34 C ATOM 55 N TYR A 10 -1.266 -1.286 3.890 1.00 41.99 N ATOM 56 CA TYR A 10 -2.352 -2.206 4.217 1.00 41.61 C ATOM 57 C TYR A 10 -2.816 -1.973 5.646 1.00 37.63 C ATOM 58 O TYR A 10 -4.005 -1.980 5.916 1.00 38.60 O ATOM 59 CB TYR A 10 -1.903 -3.661 4.036 1.00 41.17 C ATOM 60 CG TYR A 10 -2.020 -4.132 2.614 1.00 39.38 C ATOM 61 CD1 TYR A 10 -3.250 -4.080 1.945 1.00 33.80 C ATOM 62 CD2 TYR A 10 -0.922 -4.667 1.944 1.00 37.75 C ATOM 63 CE1 TYR A 10 -3.379 -4.565 0.652 1.00 32.26 C ATOM 64 CE2 TYR A 10 -1.041 -5.149 0.643 1.00 32.14 C ATOM 65 CZ TYR A 10 -2.270 -5.107 0.007 1.00 37.79 C ATOM 66 OH TYR A 10 -2.408 -5.688 -1.235 1.00 42.65 O ATOM 67 N TYR A 11 -1.870 -1.759 6.552 1.00 39.29 N ATOM 68 CA TYR A 11 -2.192 -1.506 7.952 1.00 44.48 C ATOM 69 C TYR A 11 -3.088 -0.267 8.089 1.00 46.22 C ATOM 70 O TYR A 11 -4.138 -0.308 8.741 1.00 47.52 O ATOM 71 CB TYR A 11 -0.917 -1.284 8.768 1.00 45.57 C ATOM 72 CG TYR A 11 -1.156 -1.302 10.263 1.00 51.17 C ATOM 73 CD1 TYR A 11 -1.343 -2.513 10.943 1.00 50.15 C ATOM 74 CD2 TYR A 11 -1.240 -0.116 10.990 1.00 56.52 C ATOM 75 CE1 TYR A 11 -1.611 -2.541 12.301 1.00 50.26 C ATOM 76 CE2 TYR A 11 -1.509 -0.129 12.352 1.00 57.62 C ATOM 77 CZ TYR A 11 -1.694 -1.346 13.005 1.00 56.83 C ATOM 78 OH TYR A 11 -1.968 -1.366 14.354 1.00 58.00 O ATOM 79 N GLU A 12 -2.658 0.837 7.484 1.00 46.42 N ATOM 80 CA GLU A 12 -3.431 2.069 7.538 1.00 45.21 C ATOM 81 C GLU A 12 -4.835 1.838 6.985 1.00 44.82 C ATOM 82 O GLU A 12 -5.808 2.318 7.568 1.00 46.73 O ATOM 83 CB GLU A 12 -2.734 3.170 6.754 1.00 47.17 C ATOM 84 N GLU A 13 -4.948 1.108 5.872 1.00 42.90 N ATOM 85 CA GLU A 13 -6.268 0.830 5.302 1.00 47.88 C ATOM 86 C GLU A 13 -7.092 -0.078 6.249 1.00 48.54 C ATOM 87 O GLU A 13 -8.327 0.047 6.332 1.00 49.42 O ATOM 88 CB GLU A 13 -6.145 0.168 3.918 1.00 45.54 C ATOM 89 CG GLU A 13 -5.322 0.949 2.891 1.00 56.87 C ATOM 90 CD GLU A 13 -5.311 0.263 1.514 1.00 60.37 C ATOM 91 OE1 GLU A 13 -5.157 -0.988 1.466 1.00 64.66 O ATOM 92 OE2 GLU A 13 -5.450 0.971 0.478 1.00 62.10 O ATOM 93 N ALA A 14 -6.419 -0.987 6.958 1.00 47.16 N ATOM 94 CA ALA A 14 -7.122 -1.859 7.901 1.00 46.62 C ATOM 95 C ALA A 14 -7.645 -0.958 9.030 1.00 45.44 C ATOM 96 O ALA A 14 -8.795 -1.074 9.448 1.00 43.08 O ATOM 97 CB ALA A 14 -6.183 -2.927 8.457 1.00 41.99 C ATOM 98 N GLU A 15 -6.792 -0.051 9.499 1.00 47.79 N ATOM 99 CA GLU A 15 -7.156 0.888 10.553 1.00 50.67 C ATOM 100 C GLU A 15 -8.409 1.689 10.164 1.00 52.29 C ATOM 101 O GLU A 15 -9.309 1.880 10.981 1.00 54.12 O ATOM 102 CB GLU A 15 -5.999 1.853 10.808 1.00 45.21 C ATOM 103 CG GLU A 15 -4.729 1.217 11.334 1.00 50.84 C ATOM 104 CD GLU A 15 -4.767 0.992 12.837 1.00 55.20 C ATOM 105 OE1 GLU A 15 -5.372 -0.008 13.290 1.00 56.77 O ATOM 106 OE2 GLU A 15 -4.196 1.826 13.573 1.00 62.59 O ATOM 107 N GLU A 16 -8.466 2.154 8.917 1.00 55.53 N ATOM 108 CA GLU A 16 -9.615 2.930 8.448 1.00 59.79 C ATOM 109 C GLU A 16 -10.914 2.137 8.555 1.00 57.68 C ATOM 110 O GLU A 16 -11.908 2.628 9.093 1.00 58.98 O ATOM 111 CB GLU A 16 -9.420 3.373 6.991 1.00 58.45 C ATOM 112 CG GLU A 16 -8.439 4.527 6.797 1.00 64.79 C ATOM 113 CD GLU A 16 -8.368 5.017 5.344 1.00 67.42 C ATOM 114 OE1 GLU A 16 -7.742 6.079 5.111 1.00 76.22 O ATOM 115 OE2 GLU A 16 -8.931 4.344 4.439 1.00 61.99 O ATOM 116 N PHE A 17 -10.900 0.918 8.020 1.00 57.82 N ATOM 117 CA PHE A 17 -12.058 0.031 8.051 1.00 56.03 C ATOM 118 C PHE A 17 -12.514 -0.247 9.475 1.00 56.85 C ATOM 119 O PHE A 17 -13.716 -0.282 9.755 1.00 55.48 O ATOM 120 CB PHE A 17 -11.721 -1.292 7.368 1.00 55.10 C ATOM 121 CG PHE A 17 -11.732 -1.221 5.877 1.00 55.58 C ATOM 122 CD1 PHE A 17 -12.884 -0.825 5.201 1.00 51.77 C ATOM 123 CD2 PHE A 17 -10.603 -1.579 5.144 1.00 58.55 C ATOM 124 CE1 PHE A 17 -12.919 -0.785 3.812 1.00 53.46 C ATOM 125 CE2 PHE A 17 -10.617 -1.547 3.751 1.00 58.96 C ATOM 126 CZ PHE A 17 -11.780 -1.151 3.078 1.00 60.26 C ATOM 127 N LEU A 18 -11.545 -0.451 10.364 1.00 58.00 N ATOM 128 CA LEU A 18 -11.832 -0.725 11.770 1.00 58.75 C ATOM 129 C LEU A 18 -12.616 0.466 12.338 1.00 60.29 C ATOM 130 O LEU A 18 -13.677 0.299 12.943 1.00 58.30 O ATOM 131 CB LEU A 18 -10.520 -0.903 12.539 1.00 54.93 C ATOM 132 CG LEU A 18 -10.517 -1.742 13.822 1.00 60.01 C ATOM 133 CD1 LEU A 18 -9.189 -1.528 14.571 1.00 52.45 C ATOM 134 CD2 LEU A 18 -11.698 -1.354 14.710 1.00 68.48 C ATOM 135 N SER A 19 -12.083 1.667 12.108 1.00 60.18 N ATOM 136 CA SER A 19 -12.696 2.905 12.580 1.00 63.21 C ATOM 137 C SER A 19 -14.121 3.087 12.105 1.00 62.77 C ATOM 138 O SER A 19 -14.918 3.729 12.777 1.00 64.15 O ATOM 139 CB SER A 19 -11.874 4.117 12.135 1.00 64.33 C ATOM 140 OG SER A 19 -10.634 4.179 12.823 1.00 72.57 O ATOM 141 N LYS A 20 -14.440 2.534 10.942 1.00 63.52 N ATOM 142 CA LYS A 20 -15.786 2.655 10.401 1.00 64.68 C ATOM 143 C LYS A 20 -16.620 1.420 10.723 1.00 65.12 C ATOM 144 O LYS A 20 -17.730 1.265 10.213 1.00 65.57 O ATOM 145 CB LYS A 20 -15.732 2.862 8.883 1.00 64.81 C ATOM 146 CG LYS A 20 -14.986 4.117 8.451 1.00 65.15 C ATOM 147 CD LYS A 20 -14.777 4.137 6.941 1.00 66.56 C ATOM 148 CE LYS A 20 -13.901 5.302 6.508 1.00 71.51 C ATOM 149 NZ LYS A 20 -14.547 6.619 6.785 1.00 78.42 N ATOM 150 N GLY A 21 -16.075 0.545 11.564 1.00 64.75 N ATOM 151 CA GLY A 21 -16.785 -0.661 11.942 1.00 64.11 C ATOM 152 C GLY A 21 -16.763 -1.806 10.938 1.00 64.90 C ATOM 153 O GLY A 21 -17.423 -2.823 11.159 1.00 66.12 O ATOM 154 N ASP A 22 -16.021 -1.675 9.841 1.00 64.45 N ATOM 155 CA ASP A 22 -15.971 -2.754 8.851 1.00 64.81 C ATOM 156 C ASP A 22 -14.908 -3.776 9.269 1.00 62.48 C ATOM 157 O ASP A 22 -13.795 -3.792 8.734 1.00 63.57 O ATOM 158 CB ASP A 22 -15.642 -2.190 7.465 1.00 64.19 C ATOM 159 CG ASP A 22 -15.973 -3.165 6.350 1.00 70.38 C ATOM 160 OD1 ASP A 22 -15.801 -4.389 6.563 1.00 74.50 O ATOM 161 OD2 ASP A 22 -16.396 -2.713 5.259 1.00 74.80 O ATOM 162 N LEU A 23 -15.263 -4.623 10.231 1.00 62.52 N ATOM 163 CA LEU A 23 -14.353 -5.634 10.765 1.00 60.88 C ATOM 164 C LEU A 23 -13.867 -6.666 9.752 1.00 59.17 C ATOM 165 O LEU A 23 -12.694 -7.066 9.777 1.00 58.14 O ATOM 166 CB LEU A 23 -15.014 -6.344 11.948 1.00 60.91 C ATOM 167 CG LEU A 23 -15.338 -5.421 13.124 1.00 65.83 C ATOM 168 CD1 LEU A 23 -16.294 -6.109 14.089 1.00 72.08 C ATOM 169 CD2 LEU A 23 -14.056 -5.018 13.827 1.00 67.98 C ATOM 170 N VAL A 24 -14.763 -7.091 8.866 1.00 58.50 N ATOM 171 CA VAL A 24 -14.420 -8.078 7.851 1.00 58.80 C ATOM 172 C VAL A 24 -13.306 -7.589 6.932 1.00 59.46 C ATOM 173 O VAL A 24 -12.355 -8.318 6.633 1.00 59.83 O ATOM 174 CB VAL A 24 -15.636 -8.411 6.986 1.00 58.81 C ATOM 175 CG1 VAL A 24 -15.283 -9.504 5.987 1.00 62.39 C ATOM 176 CG2 VAL A 24 -16.792 -8.842 7.877 1.00 66.22 C ATOM 177 N GLN A 25 -13.436 -6.348 6.478 1.00 58.28 N ATOM 178 CA GLN A 25 -12.455 -5.754 5.583 1.00 55.39 C ATOM 179 C GLN A 25 -11.146 -5.478 6.303 1.00 52.50 C ATOM 180 O GLN A 25 -10.066 -5.781 5.781 1.00 54.60 O ATOM 181 CB GLN A 25 -13.023 -4.464 4.983 1.00 56.93 C ATOM 182 CG GLN A 25 -13.885 -4.700 3.752 1.00 64.90 C ATOM 183 CD GLN A 25 -13.043 -4.993 2.518 1.00 74.46 C ATOM 184 OE1 GLN A 25 -12.376 -4.102 1.987 1.00 79.68 O ATOM 185 NE2 GLN A 25 -13.057 -6.246 2.066 1.00 74.95 N ATOM 186 N ALA A 26 -11.248 -4.912 7.501 1.00 47.36 N ATOM 187 CA ALA A 26 -10.084 -4.592 8.308 1.00 46.20 C ATOM 188 C ALA A 26 -9.232 -5.836 8.539 1.00 46.45 C ATOM 189 O ALA A 26 -8.015 -5.811 8.314 1.00 48.81 O ATOM 190 CB ALA A 26 -10.523 -3.981 9.649 1.00 43.24 C ATOM 191 N CYS A 27 -9.862 -6.923 8.983 1.00 46.41 N ATOM 192 CA CYS A 27 -9.136 -8.176 9.225 1.00 45.36 C ATOM 193 C CYS A 27 -8.304 -8.586 8.017 1.00 42.26 C ATOM 194 O CYS A 27 -7.122 -8.915 8.138 1.00 46.26 O ATOM 195 CB CYS A 27 -10.111 -9.318 9.558 1.00 47.65 C ATOM 196 SG CYS A 27 -10.926 -9.165 11.162 1.00 49.54 S ATOM 197 N GLU A 28 -8.928 -8.573 6.847 1.00 44.95 N ATOM 198 CA GLU A 28 -8.236 -8.959 5.630 1.00 46.81 C ATOM 199 C GLU A 28 -7.070 -8.025 5.303 1.00 44.64 C ATOM 200 O GLU A 28 -6.026 -8.476 4.828 1.00 45.73 O ATOM 201 CB GLU A 28 -9.223 -9.024 4.459 1.00 46.42 C ATOM 202 CG GLU A 28 -8.632 -9.656 3.194 1.00 57.18 C ATOM 203 CD GLU A 28 -7.691 -10.834 3.486 1.00 71.66 C ATOM 204 OE1 GLU A 28 -8.065 -11.748 4.257 1.00 72.19 O ATOM 205 OE2 GLU A 28 -6.567 -10.842 2.939 1.00 77.88 O ATOM 206 N LYS A 29 -7.236 -6.729 5.566 1.00 45.36 N ATOM 207 CA LYS A 29 -6.169 -5.775 5.283 1.00 44.66 C ATOM 208 C LYS A 29 -5.040 -5.941 6.275 1.00 44.77 C ATOM 209 O LYS A 29 -3.861 -5.798 5.916 1.00 45.70 O ATOM 210 CB LYS A 29 -6.691 -4.338 5.311 1.00 48.11 C ATOM 211 CG LYS A 29 -7.070 -3.798 3.935 1.00 47.14 C ATOM 212 CD LYS A 29 -8.407 -4.301 3.446 1.00 55.13 C ATOM 213 CE LYS A 29 -8.391 -4.561 1.940 1.00 56.34 C ATOM 214 NZ LYS A 29 -7.658 -3.522 1.162 1.00 54.67 N ATOM 215 N TYR A 30 -5.397 -6.241 7.523 1.00 45.60 N ATOM 216 CA TYR A 30 -4.394 -6.461 8.556 1.00 43.03 C ATOM 217 C TYR A 30 -3.589 -7.689 8.173 1.00 42.52 C ATOM 218 O TYR A 30 -2.378 -7.730 8.365 1.00 44.35 O ATOM 219 CB TYR A 30 -5.045 -6.692 9.917 1.00 45.33 C ATOM 220 CG TYR A 30 -5.509 -5.434 10.620 1.00 43.99 C ATOM 221 CD1 TYR A 30 -4.598 -4.440 10.972 1.00 42.82 C ATOM 222 CD2 TYR A 30 -6.859 -5.247 10.948 1.00 44.58 C ATOM 223 CE1 TYR A 30 -5.012 -3.288 11.632 1.00 45.68 C ATOM 224 CE2 TYR A 30 -7.289 -4.098 11.616 1.00 43.59 C ATOM 225 CZ TYR A 30 -6.354 -3.115 11.958 1.00 44.42 C ATOM 226 OH TYR A 30 -6.737 -1.971 12.628 1.00 47.35 O ATOM 227 N TYR A 31 -4.268 -8.700 7.640 1.00 41.47 N ATOM 228 CA TYR A 31 -3.570 -9.911 7.242 1.00 44.99 C ATOM 229 C TYR A 31 -2.640 -9.605 6.065 1.00 42.63 C ATOM 230 O TYR A 31 -1.487 -10.017 6.055 1.00 45.01 O ATOM 231 CB TYR A 31 -4.560 -11.007 6.855 1.00 48.33 C ATOM 232 CG TYR A 31 -3.874 -12.280 6.410 1.00 51.97 C ATOM 233 CD1 TYR A 31 -3.079 -13.013 7.298 1.00 50.53 C ATOM 234 CD2 TYR A 31 -4.002 -12.744 5.098 1.00 50.28 C ATOM 235 CE1 TYR A 31 -2.432 -14.169 6.890 1.00 46.84 C ATOM 236 CE2 TYR A 31 -3.358 -13.900 4.682 1.00 47.77 C ATOM 237 CZ TYR A 31 -2.571 -14.606 5.585 1.00 52.78 C ATOM 238 OH TYR A 31 -1.896 -15.724 5.180 1.00 59.58 O ATOM 239 N LYS A 32 -3.150 -8.887 5.069 1.00 43.30 N ATOM 240 CA LYS A 32 -2.336 -8.518 3.915 1.00 43.09 C ATOM 241 C LYS A 32 -1.134 -7.704 4.380 1.00 42.47 C ATOM 242 O LYS A 32 -0.047 -7.840 3.833 1.00 44.75 O ATOM 243 CB LYS A 32 -3.159 -7.718 2.904 1.00 45.22 C ATOM 244 CG LYS A 32 -4.108 -8.575 2.089 1.00 47.19 C ATOM 245 CD LYS A 32 -4.871 -7.749 1.069 1.00 45.94 C ATOM 246 CE LYS A 32 -5.755 -8.620 0.170 1.00 45.16 C ATOM 247 NZ LYS A 32 -6.409 -7.765 -0.883 1.00 60.23 N ATOM 248 N ALA A 33 -1.334 -6.867 5.396 1.00 41.26 N ATOM 249 CA ALA A 33 -0.245 -6.070 5.947 1.00 41.75 C ATOM 250 C ALA A 33 0.805 -7.029 6.488 1.00 42.57 C ATOM 251 O ALA A 33 2.008 -6.807 6.333 1.00 45.56 O ATOM 252 CB ALA A 33 -0.752 -5.146 7.084 1.00 37.92 C ATOM 253 N ALA A 34 0.341 -8.102 7.124 1.00 45.31 N ATOM 254 CA ALA A 34 1.243 -9.103 7.697 1.00 41.91 C ATOM 255 C ALA A 34 1.986 -9.867 6.613 1.00 39.53 C ATOM 256 O ALA A 34 3.188 -10.118 6.730 1.00 41.65 O ATOM 257 CB ALA A 34 0.467 -10.073 8.575 1.00 40.77 C ATOM 258 N GLU A 35 1.277 -10.233 5.552 1.00 40.33 N ATOM 259 CA GLU A 35 1.921 -10.966 4.483 1.00 43.75 C ATOM 260 C GLU A 35 3.083 -10.153 3.904 1.00 43.39 C ATOM 261 O GLU A 35 4.189 -10.675 3.717 1.00 43.24 O ATOM 262 CB GLU A 35 0.919 -11.299 3.391 1.00 43.39 C ATOM 263 CG GLU A 35 1.554 -12.066 2.241 1.00 54.72 C ATOM 264 CD GLU A 35 0.552 -12.505 1.191 1.00 66.06 C ATOM 265 OE1 GLU A 35 -0.514 -13.047 1.571 1.00 73.62 O ATOM 266 OE2 GLU A 35 0.842 -12.318 -0.013 1.00 71.00 O ATOM 267 N GLU A 36 2.832 -8.866 3.656 1.00 44.15 N ATOM 268 CA GLU A 36 3.845 -7.973 3.105 1.00 42.95 C ATOM 269 C GLU A 36 5.021 -7.799 4.052 1.00 42.00 C ATOM 270 O GLU A 36 6.168 -7.669 3.615 1.00 44.55 O ATOM 271 CB GLU A 36 3.238 -6.606 2.792 1.00 44.85 C ATOM 272 CG GLU A 36 2.126 -6.656 1.762 1.00 45.93 C ATOM 273 CD GLU A 36 2.610 -7.178 0.429 1.00 49.11 C ATOM 274 OE1 GLU A 36 3.574 -6.597 -0.111 1.00 43.90 O ATOM 275 OE2 GLU A 36 2.027 -8.165 -0.075 1.00 53.48 O ATOM 276 N ALA A 37 4.740 -7.789 5.347 1.00 43.91 N ATOM 277 CA ALA A 37 5.796 -7.632 6.338 1.00 43.92 C ATOM 278 C ALA A 37 6.755 -8.807 6.246 1.00 44.14 C ATOM 279 O ALA A 37 7.973 -8.640 6.334 1.00 44.30 O ATOM 280 CB ALA A 37 5.199 -7.553 7.730 1.00 46.86 C ATOM 281 N ILE A 38 6.195 -10.000 6.067 1.00 46.12 N ATOM 282 CA ILE A 38 6.996 -11.215 5.948 1.00 47.74 C ATOM 283 C ILE A 38 7.849 -11.189 4.670 1.00 49.54 C ATOM 284 O ILE A 38 9.053 -11.476 4.711 1.00 46.62 O ATOM 285 CB ILE A 38 6.102 -12.472 5.906 1.00 49.89 C ATOM 286 CG1 ILE A 38 5.311 -12.610 7.219 1.00 51.19 C ATOM 287 CG2 ILE A 38 6.966 -13.691 5.645 1.00 44.01 C ATOM 288 CD1 ILE A 38 6.178 -12.856 8.466 1.00 45.18 C ATOM 289 N LYS A 39 7.222 -10.857 3.541 1.00 47.18 N ATOM 290 CA LYS A 39 7.955 -10.786 2.284 1.00 48.27 C ATOM 291 C LYS A 39 9.126 -9.816 2.445 1.00 49.24 C ATOM 292 O LYS A 39 10.266 -10.137 2.113 1.00 50.80 O ATOM 293 CB LYS A 39 7.047 -10.316 1.147 1.00 47.73 C ATOM 294 CG LYS A 39 5.943 -11.289 0.785 1.00 44.51 C ATOM 295 CD LYS A 39 5.089 -10.780 -0.359 1.00 45.98 C ATOM 296 CE LYS A 39 3.927 -11.717 -0.636 1.00 51.44 C ATOM 297 NZ LYS A 39 3.040 -11.153 -1.689 1.00 62.84 N ATOM 298 N LEU A 40 8.845 -8.639 2.981 1.00 51.17 N ATOM 299 CA LEU A 40 9.884 -7.635 3.178 1.00 55.45 C ATOM 300 C LEU A 40 11.025 -8.181 4.016 1.00 55.92 C ATOM 301 O LEU A 40 12.197 -7.959 3.716 1.00 61.11 O ATOM 302 CB LEU A 40 9.299 -6.392 3.856 1.00 54.00 C ATOM 303 CG LEU A 40 10.191 -5.155 3.903 1.00 59.61 C ATOM 304 CD1 LEU A 40 10.568 -4.754 2.480 1.00 62.32 C ATOM 305 CD2 LEU A 40 9.454 -4.014 4.616 1.00 57.45 C ATOM 306 N LEU A 41 10.673 -8.903 5.071 1.00 58.92 N ATOM 307 CA LEU A 41 11.661 -9.484 5.970 1.00 57.07 C ATOM 308 C LEU A 41 12.437 -10.610 5.312 1.00 57.23 C ATOM 309 O LEU A 41 13.619 -10.799 5.597 1.00 56.00 O ATOM 310 CB LEU A 41 10.971 -9.995 7.236 1.00 57.57 C ATOM 311 CG LEU A 41 10.501 -8.902 8.196 1.00 56.49 C ATOM 312 CD1 LEU A 41 9.552 -9.482 9.240 1.00 56.60 C ATOM 313 CD2 LEU A 41 11.721 -8.262 8.849 1.00 58.44 C ATOM 314 N VAL A 42 11.764 -11.371 4.452 1.00 57.77 N ATOM 315 CA VAL A 42 12.416 -12.463 3.738 1.00 59.07 C ATOM 316 C VAL A 42 13.463 -11.840 2.814 1.00 63.52 C ATOM 317 O VAL A 42 14.614 -12.285 2.759 1.00 60.26 O ATOM 318 CB VAL A 42 11.407 -13.257 2.873 1.00 59.49 C ATOM 319 CG1 VAL A 42 12.146 -14.223 1.958 1.00 52.29 C ATOM 320 CG2 VAL A 42 10.443 -14.013 3.764 1.00 53.39 C ATOM 321 N ILE A 43 13.038 -10.802 2.096 1.00 66.66 N ATOM 322 CA ILE A 43 13.897 -10.082 1.170 1.00 71.20 C ATOM 323 C ILE A 43 15.113 -9.488 1.869 1.00 73.92 C ATOM 324 O ILE A 43 16.239 -9.654 1.410 1.00 75.79 O ATOM 325 CB ILE A 43 13.123 -8.939 0.481 1.00 72.71 C ATOM 326 CG1 ILE A 43 11.973 -9.518 -0.349 1.00 74.36 C ATOM 327 CG2 ILE A 43 14.065 -8.105 -0.380 1.00 71.68 C ATOM 328 CD1 ILE A 43 12.404 -10.520 -1.410 1.00 77.01 C ATOM 329 N GLU A 44 14.886 -8.794 2.978 1.00 75.68 N ATOM 330 CA GLU A 44 15.988 -8.185 3.714 1.00 78.38 C ATOM 331 C GLU A 44 16.943 -9.216 4.320 1.00 80.12 C ATOM 332 O GLU A 44 18.155 -9.132 4.123 1.00 82.91 O ATOM 333 CB GLU A 44 15.453 -7.262 4.810 1.00 76.20 C ATOM 334 CG GLU A 44 14.710 -6.045 4.277 1.00 79.24 C ATOM 335 CD GLU A 44 15.549 -5.230 3.302 1.00 80.69 C ATOM 336 OE1 GLU A 44 16.662 -4.794 3.693 1.00 71.40 O ATOM 337 OE2 GLU A 44 15.090 -5.029 2.150 1.00 79.09 O ATOM 338 N ASN A 45 16.410 -10.183 5.060 1.00 81.17 N ATOM 339 CA ASN A 45 17.259 -11.207 5.656 1.00 81.29 C ATOM 340 C ASN A 45 17.813 -12.099 4.560 1.00 81.87 C ATOM 341 O ASN A 45 18.648 -12.966 4.812 1.00 82.83 O ATOM 342 CB ASN A 45 16.480 -12.057 6.659 1.00 80.82 C ATOM 343 CG ASN A 45 16.364 -11.395 8.010 1.00 81.25 C ATOM 344 OD1 ASN A 45 15.656 -10.401 8.173 1.00 77.55 O ATOM 345 ND2 ASN A 45 17.073 -11.941 8.993 1.00 83.59 N ATOM 346 N ASN A 46 17.325 -11.885 3.346 1.00 82.84 N ATOM 347 CA ASN A 46 17.767 -12.646 2.190 1.00 85.21 C ATOM 348 C ASN A 46 17.672 -14.165 2.384 1.00 86.15 C ATOM 349 O ASN A 46 18.680 -14.851 2.588 1.00 85.96 O ATOM 350 CB ASN A 46 19.204 -12.251 1.844 1.00 86.93 C ATOM 351 CG ASN A 46 19.588 -12.633 0.432 1.00 87.11 C ATOM 352 OD1 ASN A 46 19.578 -13.810 0.067 1.00 87.00 O ATOM 353 ND2 ASN A 46 19.923 -11.633 -0.378 1.00 88.21 N ATOM 354 N LEU A 47 16.452 -14.687 2.310 1.00 87.11 N ATOM 355 CA LEU A 47 16.218 -16.118 2.465 1.00 87.43 C ATOM 356 C LEU A 47 15.876 -16.777 1.131 1.00 88.61 C ATOM 357 O LEU A 47 14.706 -17.036 0.833 1.00 87.88 O ATOM 358 CB LEU A 47 15.084 -16.361 3.462 1.00 86.73 C ATOM 359 CG LEU A 47 15.444 -16.442 4.946 1.00 84.31 C ATOM 360 CD1 LEU A 47 16.376 -15.312 5.352 1.00 83.18 C ATOM 361 CD2 LEU A 47 14.156 -16.406 5.752 1.00 84.00 C ATOM 362 N LYS A 48 16.909 -17.047 0.337 1.00 91.46 N ATOM 363 CA LYS A 48 16.755 -17.679 -0.973 1.00 92.89 C ATOM 364 C LYS A 48 15.879 -18.927 -0.888 1.00 94.05 C ATOM 365 O LYS A 48 15.078 -19.201 -1.782 1.00 94.65 O ATOM 366 CB LYS A 48 18.129 -18.042 -1.536 1.00 92.73 C ATOM 367 N GLU A 49 16.041 -19.671 0.202 1.00 95.06 N ATOM 368 CA GLU A 49 15.300 -20.903 0.443 1.00 96.52 C ATOM 369 C GLU A 49 13.824 -20.811 0.080 1.00 96.87 C ATOM 370 O GLU A 49 13.323 -21.586 -0.737 1.00 97.51 O ATOM 371 CB GLU A 49 15.431 -21.304 1.915 1.00 96.72 C ATOM 372 CG GLU A 49 16.859 -21.281 2.432 1.00 97.72 C ATOM 373 CD GLU A 49 17.087 -20.193 3.468 1.00 97.89 C ATOM 374 OE1 GLU A 49 16.466 -20.262 4.550 1.00 98.42 O ATOM 375 OE2 GLU A 49 17.887 -19.271 3.204 1.00 98.32 O ATOM 376 N ILE A 50 13.128 -19.863 0.695 1.00 96.59 N ATOM 377 CA ILE A 50 11.703 -19.697 0.444 1.00 96.73 C ATOM 378 C ILE A 50 11.405 -18.941 -0.846 1.00 96.38 C ATOM 379 O ILE A 50 10.415 -19.221 -1.526 1.00 95.66 O ATOM 380 CB ILE A 50 11.014 -18.980 1.624 1.00 96.94 C ATOM 381 CG1 ILE A 50 9.533 -18.770 1.307 1.00 97.04 C ATOM 382 CG2 ILE A 50 11.706 -17.662 1.908 1.00 94.82 C ATOM 383 CD1 ILE A 50 8.785 -18.012 2.369 1.00 99.14 C ATOM 384 N THR A 51 12.255 -17.978 -1.184 1.00 96.87 N ATOM 385 CA THR A 51 12.050 -17.214 -2.405 1.00 97.93 C ATOM 386 C THR A 51 12.153 -18.131 -3.622 1.00 98.37 C ATOM 387 O THR A 51 11.509 -17.893 -4.645 1.00 97.58 O ATOM 388 CB THR A 51 13.067 -16.070 -2.526 1.00 97.69 C ATOM 389 OG1 THR A 51 14.342 -16.511 -2.049 1.00 98.96 O ATOM 390 CG2 THR A 51 12.602 -14.861 -1.726 1.00 95.33 C ATOM 391 N ASN A 52 12.964 -19.178 -3.511 1.00 98.82 N ATOM 392 CA ASN A 52 13.103 -20.124 -4.607 1.00 99.14 C ATOM 393 C ASN A 52 11.801 -20.909 -4.664 1.00 99.14 C ATOM 394 O ASN A 52 11.299 -21.254 -5.739 1.00 99.14 O ATOM 395 CB ASN A 52 14.272 -21.080 -4.361 1.00 99.14 C ATOM 396 CG ASN A 52 15.604 -20.365 -4.293 1.00 99.07 C ATOM 397 OD1 ASN A 52 15.849 -19.414 -5.034 1.00 97.07 O ATOM 398 ND2 ASN A 52 16.481 -20.829 -3.410 1.00 97.05 N ATOM 399 N ASN A 53 11.257 -21.171 -3.481 1.00 99.14 N ATOM 400 CA ASN A 53 10.010 -21.907 -3.332 1.00 99.14 C ATOM 401 C ASN A 53 8.854 -21.100 -3.935 1.00 99.14 C ATOM 402 O ASN A 53 7.739 -21.604 -4.077 1.00 99.14 O ATOM 403 CB ASN A 53 9.757 -22.180 -1.842 1.00 99.14 C ATOM 404 CG ASN A 53 8.873 -23.393 -1.607 1.00 99.14 C ATOM 405 OD1 ASN A 53 7.732 -23.446 -2.070 1.00 99.14 O ATOM 406 ND2 ASN A 53 9.398 -24.374 -0.879 1.00 99.14 N ATOM 407 N VAL A 54 9.130 -19.847 -4.290 1.00 99.14 N ATOM 408 CA VAL A 54 8.118 -18.977 -4.885 1.00 99.14 C ATOM 409 C VAL A 54 7.858 -19.322 -6.362 1.00 99.14 C ATOM 410 O VAL A 54 8.765 -19.266 -7.203 1.00 99.14 O ATOM 411 CB VAL A 54 8.530 -17.490 -4.778 1.00 99.14 C ATOM 412 CG1 VAL A 54 7.485 -16.609 -5.444 1.00 99.14 C ATOM 413 CG2 VAL A 54 8.693 -17.103 -3.317 1.00 99.14 C ATOM 414 N LYS A 55 6.608 -19.681 -6.660 1.00 99.14 N ATOM 415 CA LYS A 55 6.189 -20.043 -8.013 1.00 99.14 C ATOM 416 C LYS A 55 4.792 -19.492 -8.316 1.00 99.14 C ATOM 417 O LYS A 55 4.454 -18.363 -7.942 1.00 99.14 O ATOM 418 CB LYS A 55 6.198 -21.561 -8.172 1.00 99.14 C ATOM 419 N GLY A 58 2.273 -12.912 -7.940 1.00 91.52 N ATOM 420 CA GLY A 58 1.419 -12.148 -7.046 1.00 92.35 C ATOM 421 C GLY A 58 1.626 -12.479 -5.577 1.00 91.34 C ATOM 422 O GLY A 58 2.702 -12.237 -5.025 1.00 92.09 O ATOM 423 N ARG A 59 0.594 -13.027 -4.937 1.00 89.79 N ATOM 424 CA ARG A 59 0.663 -13.397 -3.521 1.00 88.35 C ATOM 425 C ARG A 59 1.265 -14.801 -3.356 1.00 87.42 C ATOM 426 O ARG A 59 1.257 -15.602 -4.302 1.00 89.17 O ATOM 427 CB ARG A 59 -0.740 -13.338 -2.897 1.00 88.76 C ATOM 428 CG ARG A 59 -1.408 -11.970 -3.018 1.00 87.85 C ATOM 429 CD ARG A 59 -2.827 -11.965 -2.460 1.00 86.12 C ATOM 430 NE ARG A 59 -2.869 -12.190 -1.015 1.00 82.04 N ATOM 431 CZ ARG A 59 -3.974 -12.103 -0.276 1.00 80.22 C ATOM 432 NH1 ARG A 59 -5.134 -11.795 -0.843 1.00 76.78 N ATOM 433 NH2 ARG A 59 -3.925 -12.325 1.031 1.00 75.52 N ATOM 434 N TRP A 60 1.786 -15.095 -2.161 1.00 83.07 N ATOM 435 CA TRP A 60 2.411 -16.395 -1.878 1.00 79.37 C ATOM 436 C TRP A 60 1.486 -17.437 -1.247 1.00 79.15 C ATOM 437 O TRP A 60 0.369 -17.131 -0.816 1.00 80.44 O ATOM 438 CB TRP A 60 3.596 -16.228 -0.933 1.00 75.51 C ATOM 439 CG TRP A 60 4.652 -15.287 -1.372 1.00 72.39 C ATOM 440 CD1 TRP A 60 4.650 -14.495 -2.486 1.00 70.89 C ATOM 441 CD2 TRP A 60 5.874 -15.001 -0.676 1.00 65.93 C ATOM 442 NE1 TRP A 60 5.795 -13.734 -2.523 1.00 68.96 N ATOM 443 CE2 TRP A 60 6.563 -14.025 -1.424 1.00 65.33 C ATOM 444 CE3 TRP A 60 6.454 -15.474 0.508 1.00 67.69 C ATOM 445 CZ2 TRP A 60 7.807 -13.510 -1.022 1.00 70.22 C ATOM 446 CZ3 TRP A 60 7.689 -14.963 0.907 1.00 66.93 C ATOM 447 CH2 TRP A 60 8.348 -13.995 0.146 1.00 67.79 C ATOM 448 N LYS A 61 1.982 -18.673 -1.191 1.00 77.61 N ATOM 449 CA LYS A 61 1.256 -19.787 -0.588 1.00 75.71 C ATOM 450 C LYS A 61 1.392 -19.632 0.919 1.00 71.92 C ATOM 451 O LYS A 61 2.482 -19.387 1.433 1.00 71.80 O ATOM 452 CB LYS A 61 1.865 -21.134 -1.003 1.00 75.94 C ATOM 453 CG LYS A 61 1.767 -21.468 -2.482 1.00 78.96 C ATOM 454 CD LYS A 61 2.427 -22.815 -2.794 1.00 79.24 C ATOM 455 CE LYS A 61 1.735 -23.974 -2.077 1.00 86.12 C ATOM 456 NZ LYS A 61 2.400 -25.283 -2.365 1.00 86.96 N ATOM 457 N SER A 62 0.281 -19.778 1.624 1.00 70.04 N ATOM 458 CA SER A 62 0.276 -19.654 3.074 1.00 67.35 C ATOM 459 C SER A 62 1.413 -20.439 3.752 1.00 67.21 C ATOM 460 O SER A 62 1.986 -19.981 4.748 1.00 65.45 O ATOM 461 CB SER A 62 -1.079 -20.120 3.606 1.00 68.69 C ATOM 462 OG SER A 62 -2.140 -19.525 2.869 1.00 63.56 O ATOM 463 N GLU A 63 1.742 -21.610 3.204 1.00 66.99 N ATOM 464 CA GLU A 63 2.803 -22.447 3.766 1.00 65.59 C ATOM 465 C GLU A 63 4.172 -21.780 3.681 1.00 64.43 C ATOM 466 O GLU A 63 5.028 -21.990 4.547 1.00 61.34 O ATOM 467 CB GLU A 63 2.843 -23.813 3.070 1.00 67.81 C ATOM 468 CG GLU A 63 1.602 -24.677 3.307 1.00 67.45 C ATOM 469 CD GLU A 63 0.478 -24.379 2.335 1.00 70.07 C ATOM 470 OE1 GLU A 63 0.554 -23.359 1.612 1.00 65.80 O ATOM 471 OE2 GLU A 63 -0.488 -25.169 2.303 1.00 71.86 O ATOM 472 N ASN A 64 4.379 -20.987 2.634 1.00 63.06 N ATOM 473 CA ASN A 64 5.638 -20.265 2.475 1.00 63.29 C ATOM 474 C ASN A 64 5.754 -19.244 3.596 1.00 59.84 C ATOM 475 O ASN A 64 6.812 -19.115 4.221 1.00 60.58 O ATOM 476 CB ASN A 64 5.687 -19.535 1.137 1.00 66.16 C ATOM 477 CG ASN A 64 6.087 -20.434 -0.001 1.00 75.88 C ATOM 478 OD1 ASN A 64 7.196 -20.969 -0.022 1.00 84.87 O ATOM 479 ND2 ASN A 64 5.185 -20.606 -0.966 1.00 79.49 N ATOM 480 N LEU A 65 4.660 -18.519 3.845 1.00 59.70 N ATOM 481 CA LEU A 65 4.630 -17.507 4.902 1.00 56.99 C ATOM 482 C LEU A 65 4.903 -18.174 6.237 1.00 54.06 C ATOM 483 O LEU A 65 5.716 -17.696 7.026 1.00 51.49 O ATOM 484 CB LEU A 65 3.269 -16.804 4.963 1.00 56.46 C ATOM 485 CG LEU A 65 2.843 -15.851 3.838 1.00 58.40 C ATOM 486 CD1 LEU A 65 4.001 -14.915 3.491 1.00 58.14 C ATOM 487 CD2 LEU A 65 2.413 -16.651 2.623 1.00 58.40 C ATOM 488 N PHE A 66 4.206 -19.274 6.498 1.00 54.79 N ATOM 489 CA PHE A 66 4.433 -20.007 7.740 1.00 56.49 C ATOM 490 C PHE A 66 5.914 -20.411 7.802 1.00 54.26 C ATOM 491 O PHE A 66 6.576 -20.171 8.810 1.00 55.90 O ATOM 492 CB PHE A 66 3.519 -21.237 7.800 1.00 55.39 C ATOM 493 CG PHE A 66 2.148 -20.947 8.361 1.00 53.71 C ATOM 494 CD1 PHE A 66 1.982 -20.706 9.727 1.00 54.47 C ATOM 495 CD2 PHE A 66 1.029 -20.903 7.528 1.00 54.19 C ATOM 496 CE1 PHE A 66 0.727 -20.427 10.259 1.00 49.16 C ATOM 497 CE2 PHE A 66 -0.236 -20.624 8.043 1.00 54.15 C ATOM 498 CZ PHE A 66 -0.390 -20.384 9.416 1.00 50.81 C ATOM 499 N LYS A 67 6.435 -21.003 6.727 1.00 58.30 N ATOM 500 CA LYS A 67 7.846 -21.395 6.701 1.00 59.53 C ATOM 501 C LYS A 67 8.690 -20.178 7.007 1.00 60.27 C ATOM 502 O LYS A 67 9.577 -20.205 7.866 1.00 63.38 O ATOM 503 CB LYS A 67 8.282 -21.899 5.322 1.00 61.19 C ATOM 504 CG LYS A 67 7.813 -23.282 4.923 1.00 59.92 C ATOM 505 CD LYS A 67 8.651 -23.793 3.752 1.00 62.54 C ATOM 506 CE LYS A 67 7.918 -24.848 2.917 1.00 64.52 C ATOM 507 NZ LYS A 67 6.827 -24.268 2.059 1.00 69.56 N ATOM 508 N ALA A 68 8.411 -19.112 6.268 1.00 59.27 N ATOM 509 CA ALA A 68 9.132 -17.862 6.411 1.00 58.54 C ATOM 510 C ALA A 68 9.143 -17.374 7.853 1.00 58.93 C ATOM 511 O ALA A 68 10.198 -16.999 8.383 1.00 58.08 O ATOM 512 CB ALA A 68 8.514 -16.811 5.502 1.00 57.48 C ATOM 513 N SER A 69 7.976 -17.378 8.491 1.00 57.29 N ATOM 514 CA SER A 69 7.881 -16.922 9.875 1.00 58.54 C ATOM 515 C SER A 69 8.760 -17.796 10.779 1.00 59.73 C ATOM 516 O SER A 69 9.471 -17.281 11.646 1.00 57.49 O ATOM 517 CB SER A 69 6.419 -16.936 10.355 1.00 57.93 C ATOM 518 OG SER A 69 5.857 -18.237 10.319 1.00 59.46 O ATOM 519 N LYS A 70 8.722 -19.109 10.569 1.00 60.25 N ATOM 520 CA LYS A 70 9.545 -20.012 11.369 1.00 64.73 C ATOM 521 C LYS A 70 11.001 -19.621 11.149 1.00 67.17 C ATOM 522 O LYS A 70 11.693 -19.175 12.078 1.00 63.86 O ATOM 523 CB LYS A 70 9.321 -21.469 10.943 1.00 63.47 C ATOM 524 N LEU A 71 11.447 -19.781 9.902 1.00 69.45 N ATOM 525 CA LEU A 71 12.815 -19.454 9.508 1.00 70.31 C ATOM 526 C LEU A 71 13.316 -18.126 10.070 1.00 70.98 C ATOM 527 O LEU A 71 14.505 -17.975 10.325 1.00 72.22 O ATOM 528 CB LEU A 71 12.934 -19.426 7.983 1.00 71.87 C ATOM 529 CG LEU A 71 13.193 -20.738 7.232 1.00 72.75 C ATOM 530 CD1 LEU A 71 12.169 -21.804 7.623 1.00 81.89 C ATOM 531 CD2 LEU A 71 13.150 -20.459 5.735 1.00 69.64 C ATOM 532 N LEU A 72 12.415 -17.168 10.272 1.00 71.28 N ATOM 533 CA LEU A 72 12.811 -15.859 10.793 1.00 71.82 C ATOM 534 C LEU A 72 12.953 -15.778 12.317 1.00 73.28 C ATOM 535 O LEU A 72 13.308 -14.723 12.861 1.00 68.65 O ATOM 536 CB LEU A 72 11.823 -14.791 10.315 1.00 71.10 C ATOM 537 CG LEU A 72 11.845 -14.459 8.824 1.00 70.64 C ATOM 538 CD1 LEU A 72 10.647 -13.598 8.459 1.00 67.03 C ATOM 539 CD2 LEU A 72 13.153 -13.748 8.485 1.00 64.96 C ATOM 540 N ARG A 73 12.674 -16.885 13.002 1.00 76.20 N ATOM 541 CA ARG A 73 12.775 -16.931 14.462 1.00 79.45 C ATOM 542 C ARG A 73 14.191 -16.591 14.940 1.00 81.19 C ATOM 543 O ARG A 73 14.385 -16.142 16.075 1.00 80.88 O ATOM 544 CB ARG A 73 12.369 -18.310 14.969 1.00 79.32 C ATOM 545 N SER A 74 15.173 -16.803 14.067 1.00 82.15 N ATOM 546 CA SER A 74 16.569 -16.518 14.388 1.00 81.66 C ATOM 547 C SER A 74 16.820 -15.008 14.459 1.00 81.78 C ATOM 548 O SER A 74 17.585 -14.533 15.305 1.00 81.30 O ATOM 549 CB SER A 74 17.478 -17.158 13.337 1.00 82.66 C ATOM 550 OG SER A 74 17.233 -18.554 13.241 1.00 81.46 O ATOM 551 N ASN A 75 16.172 -14.262 13.569 1.00 80.91 N ATOM 552 CA ASN A 75 16.303 -12.809 13.537 1.00 80.08 C ATOM 553 C ASN A 75 15.528 -12.197 14.708 1.00 78.56 C ATOM 554 O ASN A 75 16.016 -11.284 15.382 1.00 77.55 O ATOM 555 CB ASN A 75 15.768 -12.266 12.207 1.00 81.76 C ATOM 556 CG ASN A 75 15.724 -10.740 12.163 1.00 88.15 C ATOM 557 OD1 ASN A 75 14.920 -10.105 12.852 1.00 92.77 O ATOM 558 ND2 ASN A 75 16.593 -10.148 11.347 1.00 92.78 N ATOM 559 N ASN A 76 14.319 -12.702 14.940 1.00 74.95 N ATOM 560 CA ASN A 76 13.487 -12.214 16.038 1.00 71.24 C ATOM 561 C ASN A 76 12.509 -13.289 16.504 1.00 67.51 C ATOM 562 O ASN A 76 11.554 -13.619 15.801 1.00 65.50 O ATOM 563 CB ASN A 76 12.713 -10.964 15.617 1.00 70.72 C ATOM 564 CG ASN A 76 11.940 -10.356 16.765 1.00 71.64 C ATOM 565 OD1 ASN A 76 11.005 -10.960 17.281 1.00 78.80 O ATOM 566 ND2 ASN A 76 12.337 -9.158 17.181 1.00 76.51 N ATOM 567 N THR A 77 12.753 -13.818 17.700 1.00 64.42 N ATOM 568 CA THR A 77 11.926 -14.875 18.274 1.00 60.13 C ATOM 569 C THR A 77 10.403 -14.688 18.176 1.00 58.40 C ATOM 570 O THR A 77 9.666 -15.666 18.009 1.00 60.19 O ATOM 571 CB THR A 77 12.325 -15.145 19.764 1.00 62.38 C ATOM 572 OG1 THR A 77 12.536 -13.904 20.457 1.00 61.68 O ATOM 573 CG2 THR A 77 13.607 -15.978 19.828 1.00 57.18 C ATOM 574 N GLU A 78 9.929 -13.447 18.239 1.00 55.30 N ATOM 575 CA GLU A 78 8.493 -13.175 18.183 1.00 52.41 C ATOM 576 C GLU A 78 7.738 -13.305 16.863 1.00 52.96 C ATOM 577 O GLU A 78 6.544 -13.595 16.875 1.00 52.51 O ATOM 578 CB GLU A 78 8.192 -11.772 18.693 1.00 51.74 C ATOM 579 CG GLU A 78 8.694 -11.437 20.068 1.00 47.33 C ATOM 580 CD GLU A 78 8.084 -10.140 20.569 1.00 45.68 C ATOM 581 OE1 GLU A 78 6.841 -10.096 20.745 1.00 44.99 O ATOM 582 OE2 GLU A 78 8.835 -9.161 20.775 1.00 46.76 O ATOM 583 N ILE A 79 8.387 -13.110 15.722 1.00 53.69 N ATOM 584 CA ILE A 79 7.598 -13.133 14.492 1.00 55.04 C ATOM 585 C ILE A 79 6.800 -14.392 14.197 1.00 53.06 C ATOM 586 O ILE A 79 5.699 -14.306 13.646 1.00 55.64 O ATOM 587 CB ILE A 79 8.422 -12.701 13.228 1.00 56.28 C ATOM 588 CG1 ILE A 79 9.146 -13.884 12.618 1.00 57.34 C ATOM 589 CG2 ILE A 79 9.424 -11.588 13.602 1.00 54.20 C ATOM 590 CD1 ILE A 79 10.376 -14.279 13.386 1.00 74.87 C ATOM 591 N PRO A 80 7.313 -15.574 14.559 1.00 52.49 N ATOM 592 CA PRO A 80 6.470 -16.732 14.242 1.00 51.61 C ATOM 593 C PRO A 80 5.126 -16.660 14.973 1.00 52.19 C ATOM 594 O PRO A 80 4.098 -17.073 14.441 1.00 55.16 O ATOM 595 CB PRO A 80 7.322 -17.923 14.683 1.00 51.94 C ATOM 596 CG PRO A 80 8.180 -17.344 15.794 1.00 52.23 C ATOM 597 CD PRO A 80 8.550 -15.982 15.248 1.00 54.91 C ATOM 598 N ILE A 81 5.115 -16.116 16.184 1.00 52.55 N ATOM 599 CA ILE A 81 3.855 -16.013 16.906 1.00 54.29 C ATOM 600 C ILE A 81 3.027 -14.790 16.505 1.00 50.56 C ATOM 601 O ILE A 81 1.804 -14.806 16.636 1.00 49.05 O ATOM 602 CB ILE A 81 4.077 -16.069 18.428 1.00 55.02 C ATOM 603 CG1 ILE A 81 5.368 -15.359 18.804 1.00 63.75 C ATOM 604 CG2 ILE A 81 4.174 -17.525 18.874 1.00 63.22 C ATOM 605 CD1 ILE A 81 5.653 -15.355 20.297 1.00 68.81 C ATOM 606 N LEU A 82 3.674 -13.741 16.003 1.00 50.04 N ATOM 607 CA LEU A 82 2.934 -12.569 15.540 1.00 44.67 C ATOM 608 C LEU A 82 2.214 -13.037 14.281 1.00 45.55 C ATOM 609 O LEU A 82 1.059 -12.675 14.018 1.00 45.63 O ATOM 610 CB LEU A 82 3.882 -11.419 15.206 1.00 46.04 C ATOM 611 CG LEU A 82 4.322 -10.494 16.346 1.00 46.43 C ATOM 612 CD1 LEU A 82 4.538 -11.294 17.606 1.00 52.57 C ATOM 613 CD2 LEU A 82 5.599 -9.765 15.953 1.00 40.61 C ATOM 614 N TRP A 83 2.897 -13.868 13.508 1.00 45.18 N ATOM 615 CA TRP A 83 2.299 -14.397 12.295 1.00 48.87 C ATOM 616 C TRP A 83 1.007 -15.186 12.570 1.00 50.78 C ATOM 617 O TRP A 83 0.036 -15.076 11.812 1.00 52.97 O ATOM 618 CB TRP A 83 3.296 -15.288 11.542 1.00 49.60 C ATOM 619 CG TRP A 83 2.662 -15.913 10.348 1.00 50.09 C ATOM 620 CD1 TRP A 83 2.341 -17.230 10.180 1.00 51.18 C ATOM 621 CD2 TRP A 83 2.161 -15.225 9.188 1.00 47.50 C ATOM 622 NE1 TRP A 83 1.665 -17.402 8.991 1.00 57.70 N ATOM 623 CE2 TRP A 83 1.543 -16.189 8.364 1.00 52.89 C ATOM 624 CE3 TRP A 83 2.174 -13.887 8.770 1.00 54.16 C ATOM 625 CZ2 TRP A 83 0.943 -15.857 7.141 1.00 53.19 C ATOM 626 CZ3 TRP A 83 1.578 -13.555 7.556 1.00 49.89 C ATOM 627 CH2 TRP A 83 0.971 -14.540 6.757 1.00 49.77 C ATOM 628 N LYS A 84 0.986 -15.979 13.644 1.00 55.48 N ATOM 629 CA LYS A 84 -0.212 -16.760 13.971 1.00 55.58 C ATOM 630 C LYS A 84 -1.427 -15.843 14.086 1.00 50.19 C ATOM 631 O LYS A 84 -2.487 -16.134 13.522 1.00 51.73 O ATOM 632 CB LYS A 84 -0.018 -17.537 15.277 1.00 57.94 C ATOM 633 CG LYS A 84 1.043 -18.638 15.194 1.00 60.87 C ATOM 634 CD LYS A 84 1.085 -19.482 16.477 1.00 64.85 C ATOM 635 CE LYS A 84 2.178 -20.557 16.430 1.00 77.21 C ATOM 636 NZ LYS A 84 3.566 -19.992 16.384 1.00 76.93 N ATOM 637 N SER A 85 -1.261 -14.736 14.813 1.00 46.25 N ATOM 638 CA SER A 85 -2.330 -13.746 14.983 1.00 45.90 C ATOM 639 C SER A 85 -2.846 -13.276 13.619 1.00 47.44 C ATOM 640 O SER A 85 -4.061 -13.109 13.408 1.00 45.69 O ATOM 641 CB SER A 85 -1.815 -12.529 15.740 1.00 47.06 C ATOM 642 OG SER A 85 -1.301 -12.902 16.994 1.00 46.22 O ATOM 643 N ALA A 86 -1.913 -13.045 12.700 1.00 44.41 N ATOM 644 CA ALA A 86 -2.280 -12.606 11.368 1.00 42.51 C ATOM 645 C ALA A 86 -3.159 -13.697 10.746 1.00 44.85 C ATOM 646 O ALA A 86 -4.213 -13.411 10.160 1.00 44.54 O ATOM 647 CB ALA A 86 -1.002 -12.369 10.508 1.00 37.24 C ATOM 648 N TRP A 87 -2.727 -14.949 10.890 1.00 43.23 N ATOM 649 CA TRP A 87 -3.465 -16.080 10.335 1.00 42.79 C ATOM 650 C TRP A 87 -4.866 -16.132 10.931 1.00 42.41 C ATOM 651 O TRP A 87 -5.844 -16.318 10.207 1.00 41.47 O ATOM 652 CB TRP A 87 -2.699 -17.388 10.612 1.00 46.49 C ATOM 653 CG TRP A 87 -3.292 -18.615 9.958 1.00 53.55 C ATOM 654 CD1 TRP A 87 -3.858 -19.695 10.590 1.00 55.42 C ATOM 655 CD2 TRP A 87 -3.427 -18.864 8.552 1.00 56.55 C ATOM 656 NE1 TRP A 87 -4.342 -20.591 9.661 1.00 52.08 N ATOM 657 CE2 TRP A 87 -4.092 -20.107 8.404 1.00 56.32 C ATOM 658 CE3 TRP A 87 -3.057 -18.159 7.402 1.00 52.61 C ATOM 659 CZ2 TRP A 87 -4.393 -20.653 7.151 1.00 56.23 C ATOM 660 CZ3 TRP A 87 -3.359 -18.702 6.158 1.00 55.29 C ATOM 661 CH2 TRP A 87 -4.022 -19.936 6.042 1.00 56.94 C ATOM 662 N THR A 88 -4.960 -15.942 12.247 1.00 42.70 N ATOM 663 CA THR A 88 -6.255 -15.968 12.944 1.00 45.24 C ATOM 664 C THR A 88 -7.179 -14.908 12.379 1.00 45.12 C ATOM 665 O THR A 88 -8.375 -15.143 12.167 1.00 45.40 O ATOM 666 CB THR A 88 -6.127 -15.673 14.440 1.00 44.87 C ATOM 667 OG1 THR A 88 -5.233 -16.611 15.049 1.00 46.34 O ATOM 668 CG2 THR A 88 -7.498 -15.753 15.098 1.00 41.63 C ATOM 669 N LEU A 89 -6.622 -13.724 12.165 1.00 46.78 N ATOM 670 CA LEU A 89 -7.393 -12.636 11.600 1.00 44.44 C ATOM 671 C LEU A 89 -7.899 -13.088 10.235 1.00 46.83 C ATOM 672 O LEU A 89 -9.059 -12.866 9.889 1.00 46.86 O ATOM 673 CB LEU A 89 -6.514 -11.378 11.451 1.00 44.81 C ATOM 674 CG LEU A 89 -6.337 -10.543 12.720 1.00 39.58 C ATOM 675 CD1 LEU A 89 -5.288 -9.477 12.547 1.00 36.95 C ATOM 676 CD2 LEU A 89 -7.681 -9.925 13.053 1.00 40.25 C ATOM 677 N HIS A 90 -7.021 -13.734 9.474 1.00 46.68 N ATOM 678 CA HIS A 90 -7.359 -14.201 8.139 1.00 49.38 C ATOM 679 C HIS A 90 -8.504 -15.212 8.123 1.00 51.28 C ATOM 680 O HIS A 90 -9.534 -14.989 7.478 1.00 49.83 O ATOM 681 CB HIS A 90 -6.126 -14.825 7.479 1.00 47.91 C ATOM 682 CG HIS A 90 -6.326 -15.180 6.039 1.00 53.40 C ATOM 683 ND1 HIS A 90 -5.634 -16.200 5.420 1.00 60.29 N ATOM 684 CD2 HIS A 90 -7.127 -14.637 5.090 1.00 49.15 C ATOM 685 CE1 HIS A 90 -6.001 -16.273 4.152 1.00 51.80 C ATOM 686 NE2 HIS A 90 -6.905 -15.335 3.927 1.00 53.10 N ATOM 687 N VAL A 91 -8.320 -16.328 8.825 1.00 53.44 N ATOM 688 CA VAL A 91 -9.336 -17.379 8.869 1.00 56.59 C ATOM 689 C VAL A 91 -10.606 -16.998 9.631 1.00 58.68 C ATOM 690 O VAL A 91 -11.634 -16.690 9.030 1.00 62.99 O ATOM 691 CB VAL A 91 -8.765 -18.668 9.487 1.00 56.65 C ATOM 692 CG1 VAL A 91 -9.847 -19.726 9.564 1.00 57.25 C ATOM 693 CG2 VAL A 91 -7.599 -19.163 8.653 1.00 51.77 C ATOM 694 N GLU A 92 -10.528 -17.019 10.955 1.00 60.74 N ATOM 695 CA GLU A 92 -11.665 -16.686 11.810 1.00 61.29 C ATOM 696 C GLU A 92 -12.260 -15.302 11.575 1.00 61.58 C ATOM 697 O GLU A 92 -13.440 -15.075 11.841 1.00 59.26 O ATOM 698 CB GLU A 92 -11.252 -16.813 13.274 1.00 59.15 C ATOM 699 CG GLU A 92 -11.059 -18.248 13.711 1.00 62.19 C ATOM 700 CD GLU A 92 -10.468 -18.355 15.093 1.00 66.54 C ATOM 701 OE1 GLU A 92 -10.974 -17.667 16.006 1.00 61.02 O ATOM 702 OE2 GLU A 92 -9.500 -19.129 15.264 1.00 72.87 O ATOM 703 N GLY A 93 -11.445 -14.383 11.072 1.00 62.92 N ATOM 704 CA GLY A 93 -11.927 -13.036 10.842 1.00 65.12 C ATOM 705 C GLY A 93 -12.624 -12.805 9.516 1.00 66.65 C ATOM 706 O GLY A 93 -13.848 -12.679 9.455 1.00 63.76 O ATOM 707 N PHE A 94 -11.838 -12.741 8.450 1.00 69.04 N ATOM 708 CA PHE A 94 -12.365 -12.504 7.117 1.00 71.83 C ATOM 709 C PHE A 94 -13.259 -13.641 6.611 1.00 72.34 C ATOM 710 O PHE A 94 -14.368 -13.406 6.111 1.00 71.70 O ATOM 711 CB PHE A 94 -11.200 -12.280 6.144 1.00 72.35 C ATOM 712 CG PHE A 94 -11.632 -11.941 4.743 1.00 73.77 C ATOM 713 CD1 PHE A 94 -12.398 -10.803 4.495 1.00 74.67 C ATOM 714 CD2 PHE A 94 -11.262 -12.758 3.670 1.00 74.90 C ATOM 715 CE1 PHE A 94 -12.794 -10.476 3.194 1.00 75.09 C ATOM 716 CE2 PHE A 94 -11.648 -12.446 2.363 1.00 70.19 C ATOM 717 CZ PHE A 94 -12.418 -11.301 2.120 1.00 70.43 C ATOM 718 N HIS A 95 -12.785 -14.874 6.751 1.00 73.72 N ATOM 719 CA HIS A 95 -13.542 -16.025 6.272 1.00 74.94 C ATOM 720 C HIS A 95 -14.724 -16.451 7.140 1.00 76.47 C ATOM 721 O HIS A 95 -15.864 -16.482 6.664 1.00 78.76 O ATOM 722 CB HIS A 95 -12.589 -17.207 6.043 1.00 72.92 C ATOM 723 CG HIS A 95 -11.604 -16.979 4.935 1.00 71.58 C ATOM 724 ND1 HIS A 95 -11.984 -16.831 3.617 1.00 70.13 N ATOM 725 CD2 HIS A 95 -10.254 -16.846 4.954 1.00 66.08 C ATOM 726 CE1 HIS A 95 -10.912 -16.614 2.873 1.00 67.53 C ATOM 727 NE2 HIS A 95 -9.850 -16.618 3.660 1.00 62.85 N ATOM 728 N GLU A 96 -14.461 -16.757 8.409 1.00 76.26 N ATOM 729 CA GLU A 96 -15.510 -17.215 9.320 1.00 76.54 C ATOM 730 C GLU A 96 -16.434 -16.141 9.913 1.00 77.55 C ATOM 731 O GLU A 96 -17.501 -16.466 10.436 1.00 79.47 O ATOM 732 CB GLU A 96 -14.877 -18.041 10.444 1.00 76.07 C ATOM 733 CG GLU A 96 -14.410 -19.437 10.015 1.00 73.74 C ATOM 734 CD GLU A 96 -13.557 -20.128 11.079 1.00 78.97 C ATOM 735 OE1 GLU A 96 -13.890 -20.008 12.281 1.00 81.17 O ATOM 736 OE2 GLU A 96 -12.561 -20.796 10.714 1.00 79.56 O ATOM 737 N LEU A 97 -16.033 -14.874 9.842 1.00 78.54 N ATOM 738 CA LEU A 97 -16.858 -13.779 10.364 1.00 77.42 C ATOM 739 C LEU A 97 -17.254 -14.026 11.821 1.00 76.20 C ATOM 740 O LEU A 97 -18.411 -13.845 12.193 1.00 75.22 O ATOM 741 CB LEU A 97 -18.135 -13.644 9.521 1.00 77.80 C ATOM 742 CG LEU A 97 -18.029 -13.890 8.007 1.00 78.91 C ATOM 743 CD1 LEU A 97 -19.424 -13.906 7.389 1.00 76.20 C ATOM 744 CD2 LEU A 97 -17.164 -12.819 7.351 1.00 79.49 C ATOM 745 N SER A 98 -16.292 -14.423 12.647 1.00 74.72 N ATOM 746 CA SER A 98 -16.579 -14.725 14.045 1.00 74.22 C ATOM 747 C SER A 98 -15.727 -14.019 15.107 1.00 72.92 C ATOM 748 O SER A 98 -15.539 -14.552 16.207 1.00 73.89 O ATOM 749 CB SER A 98 -16.484 -16.239 14.257 1.00 74.18 C ATOM 750 OG SER A 98 -15.260 -16.750 13.753 1.00 74.51 O ATOM 751 N LEU A 99 -15.220 -12.828 14.800 1.00 70.73 N ATOM 752 CA LEU A 99 -14.393 -12.088 15.759 1.00 67.86 C ATOM 753 C LEU A 99 -15.030 -10.771 16.175 1.00 68.06 C ATOM 754 O LEU A 99 -15.515 -10.016 15.332 1.00 70.03 O ATOM 755 CB LEU A 99 -13.010 -11.800 15.165 1.00 64.57 C ATOM 756 CG LEU A 99 -12.006 -12.953 15.095 1.00 63.64 C ATOM 757 CD1 LEU A 99 -10.777 -12.532 14.280 1.00 57.74 C ATOM 758 CD2 LEU A 99 -11.610 -13.353 16.508 1.00 56.86 C ATOM 759 N ASN A 100 -15.022 -10.497 17.476 1.00 68.62 N ATOM 760 CA ASN A 100 -15.587 -9.252 17.994 1.00 68.89 C ATOM 761 C ASN A 100 -14.552 -8.143 17.835 1.00 68.44 C ATOM 762 O ASN A 100 -13.374 -8.412 17.620 1.00 67.67 O ATOM 763 CB ASN A 100 -15.973 -9.411 19.469 1.00 68.38 C ATOM 764 N GLU A 101 -14.997 -6.897 17.939 1.00 69.07 N ATOM 765 CA GLU A 101 -14.104 -5.757 17.797 1.00 70.58 C ATOM 766 C GLU A 101 -12.932 -5.807 18.778 1.00 69.01 C ATOM 767 O GLU A 101 -11.799 -5.484 18.414 1.00 70.21 O ATOM 768 CB GLU A 101 -14.889 -4.453 17.988 1.00 72.23 C ATOM 769 CG GLU A 101 -14.111 -3.195 17.628 1.00 77.02 C ATOM 770 CD GLU A 101 -13.856 -2.299 18.824 1.00 90.10 C ATOM 771 OE1 GLU A 101 -13.324 -2.799 19.843 1.00 96.74 O ATOM 772 OE2 GLU A 101 -14.180 -1.092 18.743 1.00 89.48 O ATOM 773 N LYS A 102 -13.193 -6.216 20.015 1.00 66.93 N ATOM 774 CA LYS A 102 -12.133 -6.274 21.011 1.00 64.31 C ATOM 775 C LYS A 102 -11.070 -7.275 20.602 1.00 62.73 C ATOM 776 O LYS A 102 -9.874 -7.042 20.802 1.00 62.61 O ATOM 777 CB LYS A 102 -12.709 -6.642 22.374 1.00 66.38 C ATOM 778 N GLU A 103 -11.513 -8.390 20.025 1.00 60.26 N ATOM 779 CA GLU A 103 -10.604 -9.447 19.579 1.00 58.43 C ATOM 780 C GLU A 103 -9.737 -9.030 18.393 1.00 55.21 C ATOM 781 O GLU A 103 -8.544 -9.341 18.343 1.00 55.24 O ATOM 782 CB GLU A 103 -11.396 -10.699 19.202 1.00 59.59 C ATOM 783 CG GLU A 103 -11.774 -11.568 20.376 1.00 64.96 C ATOM 784 CD GLU A 103 -13.264 -11.826 20.432 1.00 76.57 C ATOM 785 OE1 GLU A 103 -14.009 -10.894 20.815 1.00 85.21 O ATOM 786 OE2 GLU A 103 -13.689 -12.955 20.084 1.00 67.61 O ATOM 787 N VAL A 104 -10.359 -8.340 17.440 1.00 53.38 N ATOM 788 CA VAL A 104 -9.671 -7.867 16.253 1.00 50.65 C ATOM 789 C VAL A 104 -8.563 -6.905 16.656 1.00 48.76 C ATOM 790 O VAL A 104 -7.436 -6.989 16.147 1.00 45.65 O ATOM 791 CB VAL A 104 -10.637 -7.142 15.300 1.00 53.67 C ATOM 792 CG1 VAL A 104 -9.882 -6.628 14.086 1.00 56.60 C ATOM 793 CG2 VAL A 104 -11.748 -8.086 14.870 1.00 51.72 C ATOM 794 N LYS A 105 -8.883 -5.994 17.574 1.00 48.19 N ATOM 795 CA LYS A 105 -7.904 -5.026 18.040 1.00 50.96 C ATOM 796 C LYS A 105 -6.709 -5.740 18.652 1.00 50.82 C ATOM 797 O LYS A 105 -5.560 -5.425 18.348 1.00 52.45 O ATOM 798 CB LYS A 105 -8.529 -4.079 19.068 1.00 51.00 C ATOM 799 CG LYS A 105 -9.598 -3.186 18.478 1.00 56.48 C ATOM 800 CD LYS A 105 -9.956 -2.042 19.407 1.00 62.53 C ATOM 801 CE LYS A 105 -10.870 -1.047 18.704 1.00 68.14 C ATOM 802 NZ LYS A 105 -11.202 0.113 19.572 1.00 69.66 N ATOM 803 N LYS A 106 -6.996 -6.721 19.498 1.00 53.23 N ATOM 804 CA LYS A 106 -5.975 -7.499 20.182 1.00 53.11 C ATOM 805 C LYS A 106 -5.011 -8.189 19.213 1.00 50.85 C ATOM 806 O LYS A 106 -3.796 -8.165 19.413 1.00 47.38 O ATOM 807 CB LYS A 106 -6.667 -8.542 21.062 1.00 53.29 C ATOM 808 CG LYS A 106 -5.788 -9.157 22.140 1.00 62.61 C ATOM 809 CD LYS A 106 -6.586 -10.171 22.996 1.00 61.35 C ATOM 810 CE LYS A 106 -7.754 -9.514 23.736 1.00 63.50 C ATOM 811 NZ LYS A 106 -8.610 -10.531 24.422 1.00 71.14 N ATOM 812 N LEU A 107 -5.562 -8.817 18.176 1.00 49.89 N ATOM 813 CA LEU A 107 -4.750 -9.512 17.180 1.00 47.57 C ATOM 814 C LEU A 107 -4.038 -8.509 16.268 1.00 46.40 C ATOM 815 O LEU A 107 -2.836 -8.627 16.038 1.00 46.37 O ATOM 816 CB LEU A 107 -5.620 -10.461 16.333 1.00 46.80 C ATOM 817 CG LEU A 107 -6.318 -11.650 17.027 1.00 44.09 C ATOM 818 CD1 LEU A 107 -7.420 -12.198 16.133 1.00 36.23 C ATOM 819 CD2 LEU A 107 -5.320 -12.749 17.355 1.00 41.37 C ATOM 820 N LYS A 108 -4.775 -7.520 15.763 1.00 44.85 N ATOM 821 CA LYS A 108 -4.199 -6.507 14.872 1.00 45.36 C ATOM 822 C LYS A 108 -2.958 -5.876 15.507 1.00 45.70 C ATOM 823 O LYS A 108 -2.026 -5.475 14.810 1.00 46.65 O ATOM 824 CB LYS A 108 -5.237 -5.413 14.551 1.00 43.81 C ATOM 825 CG LYS A 108 -4.821 -3.994 14.975 1.00 46.16 C ATOM 826 CD LYS A 108 -5.956 -3.308 15.702 1.00 37.82 C ATOM 827 CE LYS A 108 -5.766 -1.791 15.786 1.00 42.65 C ATOM 828 NZ LYS A 108 -4.548 -1.356 16.531 1.00 50.28 N ATOM 829 N GLU A 109 -2.943 -5.801 16.835 1.00 44.45 N ATOM 830 CA GLU A 109 -1.798 -5.216 17.529 1.00 45.48 C ATOM 831 C GLU A 109 -0.531 -6.042 17.285 1.00 42.58 C ATOM 832 O GLU A 109 0.571 -5.500 17.252 1.00 44.11 O ATOM 833 CB GLU A 109 -2.089 -5.103 19.028 1.00 45.63 C ATOM 834 CG GLU A 109 -1.170 -4.140 19.776 1.00 59.09 C ATOM 835 CD GLU A 109 -1.091 -2.743 19.136 1.00 67.08 C ATOM 836 OE1 GLU A 109 -2.147 -2.136 18.795 1.00 60.51 O ATOM 837 OE2 GLU A 109 0.047 -2.251 18.986 1.00 70.41 O ATOM 838 N ASP A 110 -0.683 -7.351 17.115 1.00 42.96 N ATOM 839 CA ASP A 110 0.473 -8.209 16.849 1.00 44.11 C ATOM 840 C ASP A 110 0.961 -7.959 15.405 1.00 45.82 C ATOM 841 O ASP A 110 2.155 -8.129 15.086 1.00 40.55 O ATOM 842 CB ASP A 110 0.106 -9.695 17.032 1.00 45.51 C ATOM 843 CG ASP A 110 -0.094 -10.091 18.501 1.00 52.90 C ATOM 844 OD1 ASP A 110 0.575 -9.526 19.399 1.00 50.71 O ATOM 845 OD2 ASP A 110 -0.919 -10.997 18.758 1.00 56.67 O ATOM 846 N VAL A 111 0.025 -7.579 14.536 1.00 45.28 N ATOM 847 CA VAL A 111 0.365 -7.265 13.152 1.00 50.15 C ATOM 848 C VAL A 111 1.211 -5.983 13.134 1.00 49.07 C ATOM 849 O VAL A 111 2.226 -5.915 12.446 1.00 50.44 O ATOM 850 CB VAL A 111 -0.894 -7.028 12.295 1.00 48.24 C ATOM 851 CG1 VAL A 111 -0.488 -6.609 10.891 1.00 56.95 C ATOM 852 CG2 VAL A 111 -1.737 -8.292 12.249 1.00 52.47 C ATOM 853 N ARG A 112 0.788 -4.980 13.904 1.00 49.25 N ATOM 854 CA ARG A 112 1.509 -3.714 13.972 1.00 50.32 C ATOM 855 C ARG A 112 2.977 -3.947 14.305 1.00 52.11 C ATOM 856 O ARG A 112 3.873 -3.406 13.655 1.00 54.64 O ATOM 857 CB ARG A 112 0.909 -2.799 15.041 1.00 51.05 C ATOM 858 CG ARG A 112 1.289 -1.322 14.883 1.00 58.04 C ATOM 859 CD ARG A 112 1.331 -0.575 16.225 1.00 61.14 C ATOM 860 NE ARG A 112 0.965 0.842 16.107 1.00 72.54 N ATOM 861 CZ ARG A 112 1.572 1.738 15.322 1.00 80.70 C ATOM 862 NH1 ARG A 112 2.605 1.393 14.553 1.00 79.46 N ATOM 863 NH2 ARG A 112 1.130 2.991 15.295 1.00 75.23 N ATOM 864 N LYS A 113 3.218 -4.759 15.323 1.00 50.46 N ATOM 865 CA LYS A 113 4.572 -5.067 15.771 1.00 47.59 C ATOM 866 C LYS A 113 5.347 -5.759 14.658 1.00 44.44 C ATOM 867 O LYS A 113 6.547 -5.568 14.489 1.00 43.98 O ATOM 868 CB LYS A 113 4.502 -5.972 17.013 1.00 48.89 C ATOM 869 CG LYS A 113 5.774 -6.015 17.853 1.00 56.99 C ATOM 870 CD LYS A 113 5.498 -6.623 19.239 1.00 64.47 C ATOM 871 CE LYS A 113 6.743 -6.665 20.125 1.00 65.88 C ATOM 872 NZ LYS A 113 6.456 -7.356 21.417 1.00 68.92 N ATOM 873 N LEU A 114 4.642 -6.572 13.897 1.00 44.61 N ATOM 874 CA LEU A 114 5.268 -7.293 12.812 1.00 45.45 C ATOM 875 C LEU A 114 5.626 -6.309 11.712 1.00 46.22 C ATOM 876 O LEU A 114 6.728 -6.331 11.170 1.00 43.84 O ATOM 877 CB LEU A 114 4.294 -8.347 12.289 1.00 44.73 C ATOM 878 CG LEU A 114 4.758 -9.227 11.143 1.00 45.53 C ATOM 879 CD1 LEU A 114 6.127 -9.821 11.448 1.00 42.56 C ATOM 880 CD2 LEU A 114 3.714 -10.306 10.916 1.00 44.82 C ATOM 881 N VAL A 115 4.685 -5.433 11.399 1.00 46.54 N ATOM 882 CA VAL A 115 4.890 -4.455 10.350 1.00 49.19 C ATOM 883 C VAL A 115 6.122 -3.605 10.627 1.00 53.04 C ATOM 884 O VAL A 115 6.983 -3.459 9.759 1.00 54.62 O ATOM 885 CB VAL A 115 3.650 -3.548 10.195 1.00 45.74 C ATOM 886 CG1 VAL A 115 3.929 -2.430 9.215 1.00 43.69 C ATOM 887 CG2 VAL A 115 2.468 -4.380 9.712 1.00 44.28 C ATOM 888 N ILE A 116 6.216 -3.071 11.843 1.00 56.99 N ATOM 889 CA ILE A 116 7.346 -2.225 12.200 1.00 58.65 C ATOM 890 C ILE A 116 8.662 -2.988 12.198 1.00 58.33 C ATOM 891 O ILE A 116 9.692 -2.436 11.834 1.00 61.02 O ATOM 892 CB ILE A 116 7.139 -1.559 13.570 1.00 60.55 C ATOM 893 CG1 ILE A 116 7.088 -2.623 14.662 1.00 71.78 C ATOM 894 CG2 ILE A 116 5.845 -0.733 13.551 1.00 57.98 C ATOM 895 CD1 ILE A 116 7.083 -2.059 16.077 1.00 83.50 C ATOM 896 N PHE A 117 8.642 -4.253 12.594 1.00 59.23 N ATOM 897 CA PHE A 117 9.871 -5.024 12.575 1.00 60.43 C ATOM 898 C PHE A 117 10.399 -5.011 11.148 1.00 59.57 C ATOM 899 O PHE A 117 11.587 -4.790 10.922 1.00 60.63 O ATOM 900 CB PHE A 117 9.634 -6.473 13.022 1.00 59.84 C ATOM 901 CG PHE A 117 9.586 -6.656 14.519 1.00 67.89 C ATOM 902 CD1 PHE A 117 10.507 -6.009 15.346 1.00 72.37 C ATOM 903 CD2 PHE A 117 8.649 -7.515 15.100 1.00 68.74 C ATOM 904 CE1 PHE A 117 10.496 -6.217 16.731 1.00 72.92 C ATOM 905 CE2 PHE A 117 8.630 -7.730 16.476 1.00 62.08 C ATOM 906 CZ PHE A 117 9.552 -7.084 17.298 1.00 64.12 C ATOM 907 N ALA A 118 9.505 -5.242 10.191 1.00 57.71 N ATOM 908 CA ALA A 118 9.885 -5.253 8.787 1.00 57.25 C ATOM 909 C ALA A 118 10.484 -3.907 8.397 1.00 57.65 C ATOM 910 O ALA A 118 11.646 -3.811 7.991 1.00 54.87 O ATOM 911 CB ALA A 118 8.677 -5.553 7.925 1.00 56.14 C ATOM 912 N VAL A 119 9.675 -2.866 8.536 1.00 58.11 N ATOM 913 CA VAL A 119 10.098 -1.515 8.221 1.00 58.70 C ATOM 914 C VAL A 119 11.494 -1.219 8.773 1.00 62.17 C ATOM 915 O VAL A 119 12.280 -0.499 8.152 1.00 61.70 O ATOM 916 CB VAL A 119 9.102 -0.509 8.797 1.00 55.84 C ATOM 917 CG1 VAL A 119 9.583 0.905 8.536 1.00 58.02 C ATOM 918 CG2 VAL A 119 7.746 -0.728 8.165 1.00 49.90 C ATOM 919 N ASN A 120 11.800 -1.786 9.935 1.00 65.09 N ATOM 920 CA ASN A 120 13.098 -1.573 10.562 1.00 66.31 C ATOM 921 C ASN A 120 14.216 -2.360 9.905 1.00 65.33 C ATOM 922 O ASN A 120 15.344 -1.881 9.817 1.00 64.90 O ATOM 923 CB ASN A 120 13.028 -1.922 12.044 1.00 67.05 C ATOM 924 CG ASN A 120 12.453 -0.796 12.869 1.00 72.03 C ATOM 925 OD1 ASN A 120 11.514 -0.118 12.444 1.00 80.09 O ATOM 926 ND2 ASN A 120 13.007 -0.589 14.058 1.00 78.17 N ATOM 927 N SER A 121 13.906 -3.563 9.440 1.00 66.69 N ATOM 928 CA SER A 121 14.921 -4.392 8.807 1.00 69.64 C ATOM 929 C SER A 121 15.474 -3.714 7.557 1.00 70.89 C ATOM 930 O SER A 121 16.511 -4.114 7.032 1.00 68.60 O ATOM 931 CB SER A 121 14.353 -5.766 8.448 1.00 69.42 C ATOM 932 OG SER A 121 13.416 -5.674 7.392 1.00 74.69 O ATOM 933 N LEU A 122 14.773 -2.686 7.086 1.00 73.93 N ATOM 934 CA LEU A 122 15.200 -1.942 5.909 1.00 76.91 C ATOM 935 C LEU A 122 16.280 -0.950 6.308 1.00 80.60 C ATOM 936 O LEU A 122 17.447 -1.095 5.939 1.00 81.77 O ATOM 937 CB LEU A 122 14.027 -1.173 5.300 1.00 76.18 C ATOM 938 CG LEU A 122 12.882 -1.916 4.616 1.00 74.47 C ATOM 939 CD1 LEU A 122 11.864 -0.896 4.135 1.00 75.26 C ATOM 940 CD2 LEU A 122 13.400 -2.727 3.441 1.00 79.86 C ATOM 941 N GLU A 123 15.876 0.060 7.072 1.00 83.96 N ATOM 942 CA GLU A 123 16.796 1.092 7.529 1.00 87.05 C ATOM 943 C GLU A 123 17.507 0.677 8.819 1.00 89.66 C ATOM 944 O GLU A 123 17.695 1.561 9.685 1.00 91.02 O ATOM 945 CB GLU A 123 16.035 2.400 7.744 1.00 86.93 C TER 947 GLU A 123 ATOM 947 N ILE B 3 7.666 -6.693 -2.322 1.00 57.96 N ATOM 948 CA ILE B 3 7.415 -6.721 -3.795 1.00 58.97 C ATOM 949 C ILE B 3 6.517 -5.555 -4.222 1.00 56.44 C ATOM 950 O ILE B 3 6.974 -4.643 -4.910 1.00 54.43 O ATOM 951 CB ILE B 3 6.781 -8.054 -4.203 1.00 58.42 C ATOM 952 N SER B 4 5.249 -5.575 -3.804 1.00 55.74 N ATOM 953 CA SER B 4 4.322 -4.500 -4.155 1.00 52.58 C ATOM 954 C SER B 4 4.701 -3.160 -3.528 1.00 51.99 C ATOM 955 O SER B 4 5.153 -3.087 -2.385 1.00 52.08 O ATOM 956 CB SER B 4 2.886 -4.855 -3.759 1.00 54.72 C ATOM 957 OG SER B 4 2.318 -5.757 -4.697 1.00 59.27 O ATOM 958 N THR B 5 4.518 -2.106 -4.313 1.00 49.66 N ATOM 959 CA THR B 5 4.819 -0.748 -3.903 1.00 46.49 C ATOM 960 C THR B 5 3.558 -0.182 -3.293 1.00 42.94 C ATOM 961 O THR B 5 2.479 -0.731 -3.495 1.00 41.07 O ATOM 962 CB THR B 5 5.174 0.136 -5.125 1.00 47.42 C ATOM 963 OG1 THR B 5 4.041 0.197 -6.001 1.00 44.52 O ATOM 964 CG2 THR B 5 6.362 -0.436 -5.896 1.00 46.75 C ATOM 965 N SER B 6 3.690 0.929 -2.576 1.00 42.06 N ATOM 966 CA SER B 6 2.527 1.588 -1.979 1.00 41.17 C ATOM 967 C SER B 6 1.542 2.093 -3.043 1.00 40.20 C ATOM 968 O SER B 6 0.334 2.135 -2.815 1.00 42.95 O ATOM 969 CB SER B 6 2.977 2.757 -1.097 1.00 42.71 C ATOM 970 OG SER B 6 3.792 3.667 -1.808 1.00 38.88 O ATOM 971 N ALA B 7 2.057 2.471 -4.204 1.00 40.10 N ATOM 972 CA ALA B 7 1.202 2.973 -5.280 1.00 38.88 C ATOM 973 C ALA B 7 0.235 1.882 -5.694 1.00 38.68 C ATOM 974 O ALA B 7 -0.963 2.114 -5.771 1.00 38.78 O ATOM 975 CB ALA B 7 2.045 3.405 -6.492 1.00 39.06 C ATOM 976 N GLU B 8 0.773 0.696 -5.961 1.00 39.47 N ATOM 977 CA GLU B 8 -0.043 -0.435 -6.365 1.00 40.29 C ATOM 978 C GLU B 8 -1.085 -0.840 -5.316 1.00 42.76 C ATOM 979 O GLU B 8 -2.194 -1.234 -5.662 1.00 45.87 O ATOM 980 CB GLU B 8 0.843 -1.627 -6.668 1.00 37.46 C ATOM 981 CG GLU B 8 1.768 -1.423 -7.810 1.00 36.20 C ATOM 982 CD GLU B 8 2.865 -2.474 -7.845 1.00 46.67 C ATOM 983 OE1 GLU B 8 3.795 -2.399 -7.004 1.00 51.79 O ATOM 984 OE2 GLU B 8 2.801 -3.380 -8.707 1.00 45.54 O ATOM 985 N VAL B 9 -0.729 -0.736 -4.042 1.00 44.02 N ATOM 986 CA VAL B 9 -1.642 -1.099 -2.963 1.00 46.68 C ATOM 987 C VAL B 9 -2.836 -0.145 -2.877 1.00 46.56 C ATOM 988 O VAL B 9 -3.968 -0.576 -2.616 1.00 50.55 O ATOM 989 CB VAL B 9 -0.920 -1.121 -1.603 1.00 48.55 C ATOM 990 CG1 VAL B 9 -1.891 -1.529 -0.513 1.00 41.49 C ATOM 991 CG2 VAL B 9 0.264 -2.072 -1.658 1.00 42.73 C ATOM 992 N TYR B 10 -2.588 1.150 -3.078 1.00 46.24 N ATOM 993 CA TYR B 10 -3.678 2.125 -3.056 1.00 41.97 C ATOM 994 C TYR B 10 -4.526 1.946 -4.309 1.00 43.92 C ATOM 995 O TYR B 10 -5.743 2.088 -4.271 1.00 45.98 O ATOM 996 CB TYR B 10 -3.146 3.550 -3.026 1.00 40.66 C ATOM 997 CG TYR B 10 -2.678 4.017 -1.683 1.00 37.63 C ATOM 998 CD1 TYR B 10 -3.528 3.976 -0.570 1.00 38.78 C ATOM 999 CD2 TYR B 10 -1.410 4.570 -1.529 1.00 30.55 C ATOM 1000 CE1 TYR B 10 -3.133 4.479 0.652 1.00 33.98 C ATOM 1001 CE2 TYR B 10 -1.000 5.089 -0.295 1.00 36.64 C ATOM 1002 CZ TYR B 10 -1.872 5.045 0.793 1.00 40.36 C ATOM 1003 OH TYR B 10 -1.510 5.606 1.999 1.00 44.51 O ATOM 1004 N TYR B 11 -3.878 1.633 -5.422 1.00 44.17 N ATOM 1005 CA TYR B 11 -4.604 1.436 -6.668 1.00 45.82 C ATOM 1006 C TYR B 11 -5.558 0.256 -6.528 1.00 47.79 C ATOM 1007 O TYR B 11 -6.712 0.325 -6.948 1.00 45.56 O ATOM 1008 CB TYR B 11 -3.632 1.178 -7.815 1.00 44.65 C ATOM 1009 CG TYR B 11 -4.311 1.142 -9.161 1.00 43.98 C ATOM 1010 CD1 TYR B 11 -4.714 -0.064 -9.727 1.00 47.15 C ATOM 1011 CD2 TYR B 11 -4.571 2.326 -9.860 1.00 48.85 C ATOM 1012 CE1 TYR B 11 -5.356 -0.097 -10.951 1.00 51.67 C ATOM 1013 CE2 TYR B 11 -5.212 2.303 -11.085 1.00 50.39 C ATOM 1014 CZ TYR B 11 -5.604 1.095 -11.632 1.00 50.10 C ATOM 1015 OH TYR B 11 -6.223 1.077 -12.857 1.00 54.30 O ATOM 1016 N GLU B 12 -5.057 -0.821 -5.927 1.00 48.03 N ATOM 1017 CA GLU B 12 -5.832 -2.030 -5.714 1.00 49.62 C ATOM 1018 C GLU B 12 -7.062 -1.720 -4.870 1.00 46.77 C ATOM 1019 O GLU B 12 -8.173 -2.118 -5.223 1.00 49.82 O ATOM 1020 CB GLU B 12 -4.957 -3.084 -5.024 1.00 51.68 C ATOM 1021 CG GLU B 12 -5.707 -4.325 -4.538 1.00 56.07 C ATOM 1022 CD GLU B 12 -4.822 -5.274 -3.737 1.00 53.64 C ATOM 1023 OE1 GLU B 12 -4.227 -6.202 -4.329 1.00 64.45 O ATOM 1024 OE2 GLU B 12 -4.706 -5.075 -2.513 1.00 51.74 O ATOM 1025 N GLU B 13 -6.883 -1.002 -3.765 1.00 46.18 N ATOM 1026 CA GLU B 13 -8.038 -0.687 -2.942 1.00 48.46 C ATOM 1027 C GLU B 13 -9.008 0.243 -3.685 1.00 47.74 C ATOM 1028 O GLU B 13 -10.219 0.224 -3.420 1.00 47.34 O ATOM 1029 CB GLU B 13 -7.625 -0.052 -1.610 1.00 47.77 C ATOM 1030 CG GLU B 13 -8.817 0.072 -0.651 1.00 56.85 C ATOM 1031 CD GLU B 13 -8.459 0.586 0.749 1.00 61.36 C ATOM 1032 OE1 GLU B 13 -7.954 1.729 0.863 1.00 69.69 O ATOM 1033 OE2 GLU B 13 -8.699 -0.152 1.738 1.00 70.51 O ATOM 1034 N ALA B 14 -8.487 1.042 -4.618 1.00 46.13 N ATOM 1035 CA ALA B 14 -9.333 1.955 -5.383 1.00 45.42 C ATOM 1036 C ALA B 14 -10.211 1.148 -6.342 1.00 46.93 C ATOM 1037 O ALA B 14 -11.393 1.448 -6.509 1.00 48.52 O ATOM 1038 CB ALA B 14 -8.481 2.959 -6.160 1.00 45.33 C ATOM 1039 N GLU B 15 -9.618 0.126 -6.962 1.00 48.33 N ATOM 1040 CA GLU B 15 -10.321 -0.758 -7.884 1.00 49.76 C ATOM 1041 C GLU B 15 -11.428 -1.494 -7.122 1.00 53.91 C ATOM 1042 O GLU B 15 -12.500 -1.758 -7.665 1.00 56.22 O ATOM 1043 CB GLU B 15 -9.361 -1.788 -8.461 1.00 47.81 C ATOM 1044 CG GLU B 15 -8.205 -1.223 -9.267 1.00 50.32 C ATOM 1045 CD GLU B 15 -8.579 -0.919 -10.706 1.00 57.44 C ATOM 1046 OE1 GLU B 15 -9.132 0.171 -10.987 1.00 55.14 O ATOM 1047 OE2 GLU B 15 -8.312 -1.786 -11.568 1.00 57.00 O ATOM 1048 N GLU B 16 -11.167 -1.830 -5.861 1.00 54.99 N ATOM 1049 CA GLU B 16 -12.170 -2.523 -5.058 1.00 55.37 C ATOM 1050 C GLU B 16 -13.345 -1.590 -4.826 1.00 54.97 C ATOM 1051 O GLU B 16 -14.492 -1.966 -5.059 1.00 59.58 O ATOM 1052 CB GLU B 16 -11.592 -2.962 -3.708 1.00 51.16 C ATOM 1053 CG GLU B 16 -10.340 -3.814 -3.819 1.00 54.80 C ATOM 1054 CD GLU B 16 -9.758 -4.189 -2.468 1.00 56.82 C ATOM 1055 OE1 GLU B 16 -9.832 -3.360 -1.533 1.00 59.60 O ATOM 1056 OE2 GLU B 16 -9.209 -5.306 -2.348 1.00 61.34 O ATOM 1057 N PHE B 17 -13.063 -0.376 -4.360 1.00 54.12 N ATOM 1058 CA PHE B 17 -14.121 0.596 -4.118 1.00 56.10 C ATOM 1059 C PHE B 17 -14.912 0.857 -5.399 1.00 58.35 C ATOM 1060 O PHE B 17 -16.137 0.929 -5.370 1.00 56.23 O ATOM 1061 CB PHE B 17 -13.538 1.910 -3.588 1.00 52.28 C ATOM 1062 CG PHE B 17 -13.142 1.856 -2.139 1.00 58.28 C ATOM 1063 CD1 PHE B 17 -14.093 1.571 -1.156 1.00 57.54 C ATOM 1064 CD2 PHE B 17 -11.825 2.086 -1.751 1.00 53.08 C ATOM 1065 CE1 PHE B 17 -13.740 1.519 0.192 1.00 54.62 C ATOM 1066 CE2 PHE B 17 -11.460 2.036 -0.404 1.00 57.69 C ATOM 1067 CZ PHE B 17 -12.419 1.751 0.575 1.00 50.40 C ATOM 1068 N LEU B 18 -14.205 0.981 -6.520 1.00 60.45 N ATOM 1069 CA LEU B 18 -14.847 1.221 -7.804 1.00 62.17 C ATOM 1070 C LEU B 18 -15.895 0.147 -8.143 1.00 63.41 C ATOM 1071 O LEU B 18 -17.032 0.468 -8.510 1.00 63.99 O ATOM 1072 CB LEU B 18 -13.794 1.271 -8.922 1.00 62.20 C ATOM 1073 CG LEU B 18 -14.313 1.643 -10.324 1.00 58.50 C ATOM 1074 CD1 LEU B 18 -14.797 3.071 -10.292 1.00 61.41 C ATOM 1075 CD2 LEU B 18 -13.222 1.480 -11.383 1.00 61.03 C ATOM 1076 N SER B 19 -15.510 -1.122 -8.024 1.00 65.19 N ATOM 1077 CA SER B 19 -16.413 -2.223 -8.339 1.00 67.86 C ATOM 1078 C SER B 19 -17.657 -2.256 -7.446 1.00 69.70 C ATOM 1079 O SER B 19 -18.610 -2.983 -7.727 1.00 72.54 O ATOM 1080 CB SER B 19 -15.664 -3.557 -8.260 1.00 65.10 C ATOM 1081 OG SER B 19 -15.006 -3.701 -7.016 1.00 68.36 O ATOM 1082 N LYS B 20 -17.646 -1.467 -6.375 1.00 70.84 N ATOM 1083 CA LYS B 20 -18.787 -1.391 -5.466 1.00 70.79 C ATOM 1084 C LYS B 20 -19.483 -0.033 -5.624 1.00 70.23 C ATOM 1085 O LYS B 20 -20.417 0.291 -4.881 1.00 71.44 O ATOM 1086 CB LYS B 20 -18.342 -1.549 -4.008 1.00 71.97 C ATOM 1087 CG LYS B 20 -17.553 -2.817 -3.698 1.00 75.99 C ATOM 1088 CD LYS B 20 -17.242 -2.880 -2.201 1.00 76.25 C ATOM 1089 CE LYS B 20 -16.157 -3.900 -1.867 1.00 81.51 C ATOM 1090 NZ LYS B 20 -16.517 -5.295 -2.255 1.00 86.94 N ATOM 1091 N GLY B 21 -19.012 0.767 -6.575 1.00 66.80 N ATOM 1092 CA GLY B 21 -19.608 2.070 -6.799 1.00 65.71 C ATOM 1093 C GLY B 21 -19.418 3.117 -5.706 1.00 65.60 C ATOM 1094 O GLY B 21 -20.201 4.067 -5.627 1.00 70.82 O ATOM 1095 N ASP B 22 -18.409 2.953 -4.854 1.00 62.13 N ATOM 1096 CA ASP B 22 -18.130 3.934 -3.799 1.00 59.79 C ATOM 1097 C ASP B 22 -17.139 4.920 -4.423 1.00 60.47 C ATOM 1098 O ASP B 22 -15.976 5.019 -4.014 1.00 61.00 O ATOM 1099 CB ASP B 22 -17.493 3.249 -2.582 1.00 57.98 C ATOM 1100 CG ASP B 22 -17.331 4.183 -1.391 1.00 56.80 C ATOM 1101 OD1 ASP B 22 -17.378 5.421 -1.570 1.00 58.39 O ATOM 1102 OD2 ASP B 22 -17.145 3.673 -0.260 1.00 62.83 O ATOM 1103 N LEU B 23 -17.610 5.648 -5.426 1.00 59.29 N ATOM 1104 CA LEU B 23 -16.772 6.596 -6.151 1.00 57.66 C ATOM 1105 C LEU B 23 -15.944 7.551 -5.298 1.00 57.45 C ATOM 1106 O LEU B 23 -14.813 7.867 -5.655 1.00 58.72 O ATOM 1107 CB LEU B 23 -17.635 7.388 -7.139 1.00 56.72 C ATOM 1108 CG LEU B 23 -18.419 6.499 -8.120 1.00 56.99 C ATOM 1109 CD1 LEU B 23 -19.221 7.367 -9.099 1.00 60.54 C ATOM 1110 CD2 LEU B 23 -17.455 5.587 -8.869 1.00 42.76 C ATOM 1111 N VAL B 24 -16.486 7.996 -4.170 1.00 57.07 N ATOM 1112 CA VAL B 24 -15.760 8.930 -3.309 1.00 55.79 C ATOM 1113 C VAL B 24 -14.486 8.334 -2.719 1.00 57.05 C ATOM 1114 O VAL B 24 -13.466 9.020 -2.610 1.00 59.35 O ATOM 1115 CB VAL B 24 -16.656 9.440 -2.157 1.00 55.96 C ATOM 1116 CG1 VAL B 24 -15.850 10.362 -1.229 1.00 53.86 C ATOM 1117 CG2 VAL B 24 -17.859 10.181 -2.731 1.00 53.34 C ATOM 1118 N GLN B 25 -14.543 7.063 -2.333 1.00 57.38 N ATOM 1119 CA GLN B 25 -13.377 6.408 -1.757 1.00 57.22 C ATOM 1120 C GLN B 25 -12.443 5.932 -2.857 1.00 55.66 C ATOM 1121 O GLN B 25 -11.228 5.853 -2.676 1.00 58.08 O ATOM 1122 CB GLN B 25 -13.798 5.225 -0.889 1.00 55.79 C ATOM 1123 CG GLN B 25 -14.545 5.625 0.370 1.00 62.45 C ATOM 1124 CD GLN B 25 -14.039 4.887 1.594 1.00 72.28 C ATOM 1125 OE1 GLN B 25 -12.936 5.145 2.080 1.00 86.19 O ATOM 1126 NE2 GLN B 25 -14.840 3.949 2.091 1.00 69.56 N ATOM 1127 N ALA B 26 -13.025 5.617 -4.004 1.00 53.24 N ATOM 1128 CA ALA B 26 -12.252 5.168 -5.130 1.00 50.98 C ATOM 1129 C ALA B 26 -11.350 6.332 -5.542 1.00 52.75 C ATOM 1130 O ALA B 26 -10.128 6.172 -5.602 1.00 50.80 O ATOM 1131 CB ALA B 26 -13.177 4.765 -6.264 1.00 51.36 C ATOM 1132 N CYS B 27 -11.947 7.504 -5.793 1.00 51.84 N ATOM 1133 CA CYS B 27 -11.193 8.708 -6.190 1.00 51.91 C ATOM 1134 C CYS B 27 -10.076 9.053 -5.213 1.00 51.35 C ATOM 1135 O CYS B 27 -8.963 9.401 -5.614 1.00 53.06 O ATOM 1136 CB CYS B 27 -12.120 9.923 -6.304 1.00 52.63 C ATOM 1137 SG CYS B 27 -13.284 9.878 -7.689 1.00 55.21 S ATOM 1138 N GLU B 28 -10.372 8.966 -3.923 1.00 52.86 N ATOM 1139 CA GLU B 28 -9.360 9.277 -2.924 1.00 51.73 C ATOM 1140 C GLU B 28 -8.198 8.282 -2.964 1.00 47.10 C ATOM 1141 O GLU B 28 -7.045 8.672 -2.787 1.00 50.08 O ATOM 1142 CB GLU B 28 -9.982 9.321 -1.527 1.00 50.47 C ATOM 1143 CG GLU B 28 -8.947 9.376 -0.394 1.00 67.57 C ATOM 1144 CD GLU B 28 -8.122 10.668 -0.354 1.00 80.18 C ATOM 1145 OE1 GLU B 28 -7.625 11.119 -1.416 1.00 74.74 O ATOM 1146 OE2 GLU B 28 -7.962 11.228 0.760 1.00 87.17 O ATOM 1147 N LYS B 29 -8.491 7.007 -3.223 1.00 44.53 N ATOM 1148 CA LYS B 29 -7.433 6.000 -3.284 1.00 42.16 C ATOM 1149 C LYS B 29 -6.643 6.039 -4.592 1.00 42.70 C ATOM 1150 O LYS B 29 -5.447 5.728 -4.609 1.00 42.91 O ATOM 1151 CB LYS B 29 -8.013 4.607 -3.050 1.00 45.34 C ATOM 1152 CG LYS B 29 -8.640 4.450 -1.673 1.00 47.79 C ATOM 1153 CD LYS B 29 -7.633 4.740 -0.573 1.00 45.54 C ATOM 1154 CE LYS B 29 -8.254 4.626 0.808 1.00 47.50 C ATOM 1155 NZ LYS B 29 -7.175 4.505 1.833 1.00 61.78 N ATOM 1156 N TYR B 30 -7.306 6.419 -5.684 1.00 41.00 N ATOM 1157 CA TYR B 30 -6.627 6.537 -6.966 1.00 40.55 C ATOM 1158 C TYR B 30 -5.638 7.685 -6.791 1.00 40.50 C ATOM 1159 O TYR B 30 -4.491 7.607 -7.228 1.00 42.32 O ATOM 1160 CB TYR B 30 -7.615 6.862 -8.099 1.00 42.14 C ATOM 1161 CG TYR B 30 -8.356 5.656 -8.642 1.00 41.96 C ATOM 1162 CD1 TYR B 30 -7.659 4.536 -9.122 1.00 45.80 C ATOM 1163 CD2 TYR B 30 -9.750 5.618 -8.657 1.00 41.46 C ATOM 1164 CE1 TYR B 30 -8.331 3.418 -9.596 1.00 41.06 C ATOM 1165 CE2 TYR B 30 -10.427 4.504 -9.133 1.00 42.04 C ATOM 1166 CZ TYR B 30 -9.714 3.407 -9.599 1.00 40.52 C ATOM 1167 OH TYR B 30 -10.387 2.300 -10.068 1.00 49.57 O ATOM 1168 N TYR B 31 -6.094 8.738 -6.118 1.00 37.98 N ATOM 1169 CA TYR B 31 -5.248 9.896 -5.879 1.00 39.01 C ATOM 1170 C TYR B 31 -4.014 9.541 -5.048 1.00 38.94 C ATOM 1171 O TYR B 31 -2.892 9.903 -5.412 1.00 41.81 O ATOM 1172 CB TYR B 31 -6.026 11.016 -5.183 1.00 36.92 C ATOM 1173 CG TYR B 31 -5.178 12.240 -5.002 1.00 40.96 C ATOM 1174 CD1 TYR B 31 -4.635 12.888 -6.114 1.00 31.84 C ATOM 1175 CD2 TYR B 31 -4.837 12.709 -3.725 1.00 32.79 C ATOM 1176 CE1 TYR B 31 -3.773 13.962 -5.969 1.00 31.23 C ATOM 1177 CE2 TYR B 31 -3.965 13.794 -3.569 1.00 35.56 C ATOM 1178 CZ TYR B 31 -3.430 14.414 -4.709 1.00 34.50 C ATOM 1179 OH TYR B 31 -2.519 15.449 -4.623 1.00 36.25 O ATOM 1180 N LYS B 32 -4.217 8.840 -3.934 1.00 39.78 N ATOM 1181 CA LYS B 32 -3.088 8.445 -3.091 1.00 37.74 C ATOM 1182 C LYS B 32 -2.124 7.561 -3.894 1.00 34.79 C ATOM 1183 O LYS B 32 -0.905 7.654 -3.712 1.00 37.12 O ATOM 1184 CB LYS B 32 -3.577 7.713 -1.833 1.00 38.88 C ATOM 1185 CG LYS B 32 -4.255 8.646 -0.836 1.00 41.09 C ATOM 1186 CD LYS B 32 -4.652 7.932 0.461 1.00 46.39 C ATOM 1187 CE LYS B 32 -5.099 8.939 1.516 1.00 56.08 C ATOM 1188 NZ LYS B 32 -5.473 8.279 2.803 1.00 61.47 N ATOM 1189 N ALA B 33 -2.665 6.717 -4.781 1.00 29.37 N ATOM 1190 CA ALA B 33 -1.820 5.872 -5.618 1.00 32.28 C ATOM 1191 C ALA B 33 -0.975 6.802 -6.488 1.00 31.55 C ATOM 1192 O ALA B 33 0.248 6.634 -6.580 1.00 34.27 O ATOM 1193 CB ALA B 33 -2.667 4.939 -6.509 1.00 32.18 C ATOM 1194 N ALA B 34 -1.633 7.786 -7.108 1.00 33.82 N ATOM 1195 CA ALA B 34 -0.943 8.758 -7.960 1.00 35.91 C ATOM 1196 C ALA B 34 0.155 9.435 -7.137 1.00 36.32 C ATOM 1197 O ALA B 34 1.296 9.580 -7.574 1.00 36.47 O ATOM 1198 CB ALA B 34 -1.935 9.800 -8.490 1.00 34.71 C ATOM 1199 N GLU B 35 -0.188 9.814 -5.918 1.00 37.86 N ATOM 1200 CA GLU B 35 0.772 10.459 -5.053 1.00 38.87 C ATOM 1201 C GLU B 35 2.000 9.568 -4.787 1.00 38.58 C ATOM 1202 O GLU B 35 3.147 10.032 -4.833 1.00 39.46 O ATOM 1203 CB GLU B 35 0.083 10.834 -3.744 1.00 38.68 C ATOM 1204 CG GLU B 35 0.939 11.647 -2.784 1.00 50.71 C ATOM 1205 CD GLU B 35 0.127 12.251 -1.637 1.00 66.39 C ATOM 1206 OE1 GLU B 35 -1.059 12.634 -1.866 1.00 64.55 O ATOM 1207 OE2 GLU B 35 0.686 12.357 -0.517 1.00 64.74 O ATOM 1208 N GLU B 36 1.754 8.287 -4.523 1.00 35.90 N ATOM 1209 CA GLU B 36 2.835 7.364 -4.228 1.00 34.32 C ATOM 1210 C GLU B 36 3.704 7.110 -5.454 1.00 34.46 C ATOM 1211 O GLU B 36 4.925 7.000 -5.338 1.00 37.83 O ATOM 1212 CB GLU B 36 2.266 6.050 -3.659 1.00 35.08 C ATOM 1213 CG GLU B 36 1.575 6.244 -2.312 1.00 35.58 C ATOM 1214 CD GLU B 36 2.515 6.810 -1.259 1.00 40.16 C ATOM 1215 OE1 GLU B 36 3.601 6.206 -1.073 1.00 31.67 O ATOM 1216 OE2 GLU B 36 2.176 7.846 -0.612 1.00 29.96 O ATOM 1217 N ALA B 37 3.068 7.032 -6.621 1.00 35.53 N ATOM 1218 CA ALA B 37 3.765 6.816 -7.886 1.00 34.52 C ATOM 1219 C ALA B 37 4.761 7.949 -8.116 1.00 33.88 C ATOM 1220 O ALA B 37 5.923 7.726 -8.465 1.00 36.51 O ATOM 1221 CB ALA B 37 2.761 6.764 -9.029 1.00 34.18 C ATOM 1222 N ILE B 38 4.298 9.173 -7.901 1.00 36.51 N ATOM 1223 CA ILE B 38 5.147 10.344 -8.083 1.00 35.12 C ATOM 1224 C ILE B 38 6.314 10.339 -7.113 1.00 37.72 C ATOM 1225 O ILE B 38 7.454 10.622 -7.501 1.00 38.69 O ATOM 1226 CB ILE B 38 4.360 11.654 -7.860 1.00 36.39 C ATOM 1227 CG1 ILE B 38 3.309 11.836 -8.961 1.00 34.33 C ATOM 1228 CG2 ILE B 38 5.324 12.826 -7.781 1.00 36.74 C ATOM 1229 CD1 ILE B 38 3.889 12.053 -10.323 1.00 34.79 C ATOM 1230 N LYS B 39 6.036 10.025 -5.848 1.00 38.26 N ATOM 1231 CA LYS B 39 7.110 10.021 -4.849 1.00 39.67 C ATOM 1232 C LYS B 39 8.202 9.039 -5.237 1.00 38.55 C ATOM 1233 O LYS B 39 9.383 9.327 -5.080 1.00 40.39 O ATOM 1234 CB LYS B 39 6.606 9.622 -3.454 1.00 38.81 C ATOM 1235 CG LYS B 39 5.625 10.566 -2.784 1.00 43.32 C ATOM 1236 CD LYS B 39 5.351 10.053 -1.376 1.00 45.04 C ATOM 1237 CE LYS B 39 4.168 10.695 -0.725 1.00 52.41 C ATOM 1238 NZ LYS B 39 3.999 10.112 0.628 1.00 60.33 N ATOM 1239 N LEU B 40 7.793 7.872 -5.719 1.00 37.84 N ATOM 1240 CA LEU B 40 8.735 6.844 -6.101 1.00 39.86 C ATOM 1241 C LEU B 40 9.543 7.293 -7.311 1.00 40.71 C ATOM 1242 O LEU B 40 10.748 7.089 -7.363 1.00 44.34 O ATOM 1243 CB LEU B 40 8.003 5.523 -6.391 1.00 40.15 C ATOM 1244 CG LEU B 40 8.941 4.382 -6.803 1.00 42.90 C ATOM 1245 CD1 LEU B 40 9.965 4.126 -5.706 1.00 39.00 C ATOM 1246 CD2 LEU B 40 8.134 3.137 -7.086 1.00 42.20 C ATOM 1247 N LEU B 41 8.888 7.915 -8.278 1.00 39.47 N ATOM 1248 CA LEU B 41 9.601 8.395 -9.456 1.00 40.77 C ATOM 1249 C LEU B 41 10.637 9.441 -9.035 1.00 41.89 C ATOM 1250 O LEU B 41 11.755 9.489 -9.558 1.00 43.09 O ATOM 1251 CB LEU B 41 8.604 8.985 -10.457 1.00 39.19 C ATOM 1252 CG LEU B 41 7.791 7.910 -11.188 1.00 36.26 C ATOM 1253 CD1 LEU B 41 6.625 8.540 -11.925 1.00 41.56 C ATOM 1254 CD2 LEU B 41 8.694 7.170 -12.160 1.00 37.78 C ATOM 1255 N VAL B 42 10.263 10.271 -8.069 1.00 44.52 N ATOM 1256 CA VAL B 42 11.168 11.294 -7.570 1.00 42.24 C ATOM 1257 C VAL B 42 12.421 10.657 -6.976 1.00 43.20 C ATOM 1258 O VAL B 42 13.529 11.089 -7.249 1.00 43.63 O ATOM 1259 CB VAL B 42 10.497 12.150 -6.483 1.00 39.78 C ATOM 1260 CG1 VAL B 42 11.544 12.757 -5.560 1.00 40.46 C ATOM 1261 CG2 VAL B 42 9.700 13.237 -7.130 1.00 40.05 C ATOM 1262 N ILE B 43 12.228 9.635 -6.153 1.00 44.78 N ATOM 1263 CA ILE B 43 13.341 8.967 -5.498 1.00 45.48 C ATOM 1264 C ILE B 43 14.190 8.214 -6.491 1.00 46.20 C ATOM 1265 O ILE B 43 15.412 8.314 -6.469 1.00 46.00 O ATOM 1266 CB ILE B 43 12.833 8.002 -4.409 1.00 48.61 C ATOM 1267 CG1 ILE B 43 12.273 8.816 -3.237 1.00 46.99 C ATOM 1268 CG2 ILE B 43 13.948 7.058 -3.968 1.00 46.45 C ATOM 1269 CD1 ILE B 43 11.505 7.986 -2.227 1.00 55.08 C ATOM 1270 N GLU B 44 13.531 7.480 -7.378 1.00 45.27 N ATOM 1271 CA GLU B 44 14.216 6.692 -8.381 1.00 45.92 C ATOM 1272 C GLU B 44 14.921 7.540 -9.418 1.00 48.38 C ATOM 1273 O GLU B 44 15.852 7.073 -10.077 1.00 48.59 O ATOM 1274 CB GLU B 44 13.238 5.757 -9.073 1.00 45.88 C ATOM 1275 CG GLU B 44 12.766 4.639 -8.171 1.00 53.25 C ATOM 1276 CD GLU B 44 13.922 3.946 -7.467 1.00 56.70 C ATOM 1277 OE1 GLU B 44 14.854 3.489 -8.170 1.00 58.09 O ATOM 1278 OE2 GLU B 44 13.895 3.863 -6.217 1.00 63.17 O ATOM 1279 N ASN B 45 14.482 8.784 -9.577 1.00 47.58 N ATOM 1280 CA ASN B 45 15.122 9.656 -10.547 1.00 45.65 C ATOM 1281 C ASN B 45 15.985 10.674 -9.860 1.00 44.49 C ATOM 1282 O ASN B 45 16.381 11.678 -10.450 1.00 45.15 O ATOM 1283 CB ASN B 45 14.082 10.321 -11.434 1.00 41.74 C ATOM 1284 CG ASN B 45 13.424 9.331 -12.354 1.00 44.32 C ATOM 1285 OD1 ASN B 45 12.211 9.136 -12.313 1.00 45.93 O ATOM 1286 ND2 ASN B 45 14.229 8.675 -13.184 1.00 46.78 N ATOM 1287 N ASN B 46 16.273 10.390 -8.599 1.00 46.59 N ATOM 1288 CA ASN B 46 17.134 11.234 -7.799 1.00 50.27 C ATOM 1289 C ASN B 46 16.820 12.718 -7.923 1.00 51.45 C ATOM 1290 O ASN B 46 17.729 13.536 -8.074 1.00 52.44 O ATOM 1291 CB ASN B 46 18.586 10.990 -8.202 1.00 50.29 C ATOM 1292 CG ASN B 46 19.552 11.734 -7.327 1.00 54.29 C ATOM 1293 OD1 ASN B 46 19.590 11.514 -6.118 1.00 61.74 O ATOM 1294 ND2 ASN B 46 20.342 12.630 -7.927 1.00 51.43 N ATOM 1295 N LEU B 47 15.539 13.066 -7.874 1.00 49.84 N ATOM 1296 CA LEU B 47 15.133 14.461 -7.957 1.00 51.22 C ATOM 1297 C LEU B 47 15.306 15.101 -6.574 1.00 54.13 C ATOM 1298 O LEU B 47 14.332 15.450 -5.915 1.00 48.92 O ATOM 1299 CB LEU B 47 13.674 14.560 -8.407 1.00 50.85 C ATOM 1300 CG LEU B 47 13.388 14.740 -9.901 1.00 55.63 C ATOM 1301 CD1 LEU B 47 14.094 13.681 -10.731 1.00 56.52 C ATOM 1302 CD2 LEU B 47 11.894 14.663 -10.120 1.00 46.83 C ATOM 1303 N LYS B 48 16.559 15.233 -6.141 1.00 56.22 N ATOM 1304 CA LYS B 48 16.882 15.816 -4.840 1.00 59.46 C ATOM 1305 C LYS B 48 16.258 17.191 -4.625 1.00 59.43 C ATOM 1306 O LYS B 48 16.059 17.613 -3.491 1.00 61.68 O ATOM 1307 CB LYS B 48 18.399 15.928 -4.666 1.00 59.77 C ATOM 1308 CG LYS B 48 19.047 14.729 -3.997 1.00 64.43 C ATOM 1309 CD LYS B 48 20.474 15.054 -3.577 1.00 68.05 C ATOM 1310 CE LYS B 48 21.063 13.961 -2.698 1.00 76.33 C ATOM 1311 NZ LYS B 48 21.157 12.655 -3.405 1.00 76.10 N ATOM 1312 N GLU B 49 15.958 17.886 -5.718 1.00 62.25 N ATOM 1313 CA GLU B 49 15.355 19.214 -5.649 1.00 63.18 C ATOM 1314 C GLU B 49 14.030 19.176 -4.878 1.00 62.38 C ATOM 1315 O GLU B 49 13.724 20.082 -4.100 1.00 62.94 O ATOM 1316 CB GLU B 49 15.123 19.731 -7.069 1.00 63.60 C ATOM 1317 CG GLU B 49 14.660 21.166 -7.155 1.00 68.18 C ATOM 1318 CD GLU B 49 14.488 21.610 -8.595 1.00 80.82 C ATOM 1319 OE1 GLU B 49 14.175 22.801 -8.834 1.00 88.18 O ATOM 1320 OE2 GLU B 49 14.667 20.756 -9.492 1.00 89.83 O ATOM 1321 N ILE B 50 13.251 18.120 -5.110 1.00 58.63 N ATOM 1322 CA ILE B 50 11.969 17.924 -4.453 1.00 55.54 C ATOM 1323 C ILE B 50 12.158 17.359 -3.044 1.00 57.54 C ATOM 1324 O ILE B 50 11.541 17.822 -2.076 1.00 55.37 O ATOM 1325 CB ILE B 50 11.097 16.927 -5.244 1.00 54.63 C ATOM 1326 CG1 ILE B 50 10.792 17.473 -6.640 1.00 51.99 C ATOM 1327 CG2 ILE B 50 9.836 16.614 -4.465 1.00 48.94 C ATOM 1328 CD1 ILE B 50 10.053 18.800 -6.663 1.00 50.78 C ATOM 1329 N THR B 51 12.999 16.337 -2.937 1.00 56.84 N ATOM 1330 CA THR B 51 13.247 15.698 -1.657 1.00 60.44 C ATOM 1331 C THR B 51 13.814 16.687 -0.644 1.00 61.53 C ATOM 1332 O THR B 51 13.523 16.596 0.546 1.00 60.18 O ATOM 1333 CB THR B 51 14.216 14.522 -1.809 1.00 58.56 C ATOM 1334 OG1 THR B 51 15.460 14.995 -2.335 1.00 66.95 O ATOM 1335 CG2 THR B 51 13.642 13.485 -2.750 1.00 62.76 C ATOM 1336 N ASN B 52 14.626 17.628 -1.116 1.00 62.84 N ATOM 1337 CA ASN B 52 15.202 18.625 -0.225 1.00 66.87 C ATOM 1338 C ASN B 52 14.104 19.453 0.411 1.00 69.19 C ATOM 1339 O ASN B 52 14.182 19.808 1.587 1.00 72.74 O ATOM 1340 CB ASN B 52 16.147 19.561 -0.974 1.00 67.58 C ATOM 1341 CG ASN B 52 17.513 18.954 -1.192 1.00 68.30 C ATOM 1342 OD1 ASN B 52 17.915 18.020 -0.492 1.00 62.85 O ATOM 1343 ND2 ASN B 52 18.245 19.494 -2.154 1.00 68.58 N ATOM 1344 N ASN B 53 13.082 19.773 -0.372 1.00 71.36 N ATOM 1345 CA ASN B 53 11.971 20.564 0.127 1.00 72.69 C ATOM 1346 C ASN B 53 11.137 19.711 1.097 1.00 72.50 C ATOM 1347 O ASN B 53 10.746 20.179 2.169 1.00 72.11 O ATOM 1348 CB ASN B 53 11.117 21.056 -1.047 1.00 71.69 C ATOM 1349 CG ASN B 53 10.121 22.124 -0.638 1.00 75.76 C ATOM 1350 OD1 ASN B 53 9.277 21.903 0.233 1.00 82.96 O ATOM 1351 ND2 ASN B 53 10.213 23.294 -1.269 1.00 80.19 N ATOM 1352 N VAL B 54 10.883 18.458 0.725 1.00 74.96 N ATOM 1353 CA VAL B 54 10.110 17.556 1.574 1.00 77.44 C ATOM 1354 C VAL B 54 10.873 17.228 2.857 1.00 82.07 C ATOM 1355 O VAL B 54 10.271 17.002 3.908 1.00 80.73 O ATOM 1356 CB VAL B 54 9.782 16.235 0.847 1.00 75.42 C ATOM 1357 CG1 VAL B 54 9.084 15.273 1.801 1.00 70.55 C ATOM 1358 CG2 VAL B 54 8.899 16.516 -0.359 1.00 73.50 C ATOM 1359 N LYS B 55 12.200 17.196 2.769 1.00 87.56 N ATOM 1360 CA LYS B 55 13.031 16.905 3.934 1.00 91.96 C ATOM 1361 C LYS B 55 13.087 18.139 4.839 1.00 94.87 C ATOM 1362 O LYS B 55 14.108 18.430 5.465 1.00 96.51 O ATOM 1363 CB LYS B 55 14.439 16.494 3.494 1.00 91.77 C ATOM 1364 N ASN B 56 11.972 18.863 4.879 1.00 94.00 N ATOM 1365 CA ASN B 56 11.819 20.061 5.699 1.00 95.74 C ATOM 1366 C ASN B 56 10.471 19.913 6.399 1.00 96.67 C ATOM 1367 O ASN B 56 10.104 20.706 7.270 1.00 97.67 O ATOM 1368 CB ASN B 56 11.834 21.312 4.823 1.00 95.64 C ATOM 1369 N LYS B 57 9.749 18.870 5.997 1.00 96.64 N ATOM 1370 CA LYS B 57 8.435 18.549 6.548 1.00 96.67 C ATOM 1371 C LYS B 57 8.288 17.031 6.645 1.00 96.46 C ATOM 1372 O LYS B 57 8.349 16.454 7.734 1.00 97.50 O ATOM 1373 CB LYS B 57 7.328 19.132 5.656 1.00 97.01 C ATOM 1374 N GLY B 58 8.107 16.392 5.491 1.00 96.04 N ATOM 1375 CA GLY B 58 7.967 14.949 5.437 1.00 93.78 C ATOM 1376 C GLY B 58 6.504 14.579 5.245 1.00 92.34 C ATOM 1377 O GLY B 58 6.129 13.404 5.422 1.00 93.05 O ATOM 1378 N ARG B 59 5.682 15.574 4.878 1.00 95.28 N ATOM 1379 CA ARG B 59 4.254 15.348 4.639 1.00 92.31 C ATOM 1380 C ARG B 59 3.897 15.342 3.158 1.00 88.21 C ATOM 1381 O ARG B 59 2.783 14.934 2.769 1.00 87.67 O ATOM 1382 CB ARG B 59 3.411 16.378 5.431 1.00 93.79 C ATOM 1383 CG ARG B 59 3.401 16.066 6.942 1.00 96.78 C ATOM 1384 CD ARG B 59 2.333 16.885 7.649 1.00100.00 C ATOM 1385 NE ARG B 59 2.651 17.060 9.066 1.00100.00 N ATOM 1386 CZ ARG B 59 2.090 17.975 9.854 1.00100.00 C ATOM 1387 NH1 ARG B 59 1.173 18.802 9.361 1.00100.00 N ATOM 1388 NH2 ARG B 59 2.457 18.088 11.128 1.00100.00 N ATOM 1389 N TRP B 60 4.842 15.806 2.340 1.00 80.85 N ATOM 1390 CA TRP B 60 4.631 15.820 0.911 1.00 72.78 C ATOM 1391 C TRP B 60 3.439 16.623 0.418 1.00 70.25 C ATOM 1392 O TRP B 60 2.559 16.066 -0.232 1.00 77.95 O ATOM 1393 CB TRP B 60 4.509 14.374 0.447 1.00 65.49 C ATOM 1394 CG TRP B 60 5.820 13.659 0.274 1.00 59.10 C ATOM 1395 CD1 TRP B 60 6.468 12.846 1.174 1.00 53.08 C ATOM 1396 CD2 TRP B 60 6.648 13.711 -0.887 1.00 53.40 C ATOM 1397 NE1 TRP B 60 7.652 12.391 0.631 1.00 53.85 N ATOM 1398 CE2 TRP B 60 7.787 12.909 -0.639 1.00 53.31 C ATOM 1399 CE3 TRP B 60 6.540 14.364 -2.129 1.00 50.35 C ATOM 1400 CZ2 TRP B 60 8.814 12.738 -1.581 1.00 59.98 C ATOM 1401 CZ3 TRP B 60 7.549 14.201 -3.065 1.00 55.45 C ATOM 1402 CH2 TRP B 60 8.677 13.392 -2.787 1.00 57.97 C ATOM 1403 N LYS B 61 3.442 17.919 0.703 1.00 62.72 N ATOM 1404 CA LYS B 61 2.367 18.794 0.278 1.00 56.49 C ATOM 1405 C LYS B 61 2.079 18.721 -1.207 1.00 54.96 C ATOM 1406 O LYS B 61 2.938 18.345 -1.993 1.00 53.73 O ATOM 1407 CB LYS B 61 2.678 20.235 0.703 1.00 56.72 C ATOM 1408 CG LYS B 61 2.595 20.441 2.221 1.00 51.86 C ATOM 1409 CD LYS B 61 3.337 21.700 2.639 1.00 65.95 C ATOM 1410 CE LYS B 61 4.841 21.442 2.729 1.00 75.36 C ATOM 1411 NZ LYS B 61 5.563 22.586 3.366 1.00 75.21 N ATOM 1412 N SER B 62 0.857 19.028 -1.629 1.00 51.16 N ATOM 1413 CA SER B 62 0.467 18.967 -3.023 1.00 49.70 C ATOM 1414 C SER B 62 1.398 19.809 -3.909 1.00 45.95 C ATOM 1415 O SER B 62 1.715 19.419 -5.029 1.00 44.38 O ATOM 1416 CB SER B 62 -0.981 19.431 -3.178 1.00 49.62 C ATOM 1417 OG SER B 62 -1.079 20.809 -2.903 1.00 58.63 O ATOM 1418 N GLU B 63 1.833 20.958 -3.410 1.00 42.90 N ATOM 1419 CA GLU B 63 2.736 21.799 -4.181 1.00 42.55 C ATOM 1420 C GLU B 63 3.988 20.999 -4.597 1.00 44.48 C ATOM 1421 O GLU B 63 4.492 21.164 -5.705 1.00 40.83 O ATOM 1422 CB GLU B 63 3.153 23.030 -3.366 1.00 40.02 C ATOM 1423 CG GLU B 63 2.035 24.046 -3.102 1.00 38.81 C ATOM 1424 CD GLU B 63 1.085 23.643 -1.967 1.00 42.85 C ATOM 1425 OE1 GLU B 63 1.352 22.632 -1.263 1.00 46.11 O ATOM 1426 OE2 GLU B 63 0.070 24.357 -1.778 1.00 45.76 O ATOM 1427 N ASN B 64 4.485 20.140 -3.708 1.00 41.22 N ATOM 1428 CA ASN B 64 5.656 19.320 -4.019 1.00 41.37 C ATOM 1429 C ASN B 64 5.349 18.375 -5.161 1.00 38.89 C ATOM 1430 O ASN B 64 6.175 18.187 -6.060 1.00 39.57 O ATOM 1431 CB ASN B 64 6.081 18.456 -2.826 1.00 43.49 C ATOM 1432 CG ASN B 64 6.635 19.258 -1.701 1.00 47.23 C ATOM 1433 OD1 ASN B 64 7.486 20.117 -1.911 1.00 62.34 O ATOM 1434 ND2 ASN B 64 6.174 18.979 -0.487 1.00 54.00 N ATOM 1435 N LEU B 65 4.170 17.757 -5.103 1.00 38.62 N ATOM 1436 CA LEU B 65 3.754 16.804 -6.128 1.00 40.91 C ATOM 1437 C LEU B 65 3.637 17.425 -7.524 1.00 36.72 C ATOM 1438 O LEU B 65 4.033 16.813 -8.509 1.00 35.90 O ATOM 1439 CB LEU B 65 2.430 16.131 -5.726 1.00 38.90 C ATOM 1440 CG LEU B 65 2.417 14.838 -4.868 1.00 43.64 C ATOM 1441 CD1 LEU B 65 3.806 14.461 -4.395 1.00 27.88 C ATOM 1442 CD2 LEU B 65 1.478 15.014 -3.664 1.00 38.86 C ATOM 1443 N PHE B 66 3.095 18.634 -7.604 1.00 36.09 N ATOM 1444 CA PHE B 66 2.946 19.329 -8.883 1.00 38.71 C ATOM 1445 C PHE B 66 4.321 19.627 -9.478 1.00 38.21 C ATOM 1446 O PHE B 66 4.568 19.387 -10.657 1.00 38.83 O ATOM 1447 CB PHE B 66 2.170 20.648 -8.693 1.00 37.42 C ATOM 1448 CG PHE B 66 0.673 20.513 -8.886 1.00 39.77 C ATOM 1449 CD1 PHE B 66 0.104 20.705 -10.150 1.00 34.44 C ATOM 1450 CD2 PHE B 66 -0.160 20.182 -7.806 1.00 29.12 C ATOM 1451 CE1 PHE B 66 -1.284 20.565 -10.345 1.00 33.39 C ATOM 1452 CE2 PHE B 66 -1.546 20.038 -7.978 1.00 34.38 C ATOM 1453 CZ PHE B 66 -2.117 20.230 -9.250 1.00 34.65 C ATOM 1454 N LYS B 67 5.204 20.158 -8.642 1.00 39.36 N ATOM 1455 CA LYS B 67 6.552 20.503 -9.056 1.00 42.74 C ATOM 1456 C LYS B 67 7.263 19.246 -9.554 1.00 43.83 C ATOM 1457 O LYS B 67 7.869 19.245 -10.634 1.00 46.92 O ATOM 1458 CB LYS B 67 7.307 21.108 -7.875 1.00 44.77 C ATOM 1459 CG LYS B 67 8.726 21.563 -8.199 1.00 51.69 C ATOM 1460 CD LYS B 67 8.750 22.719 -9.196 1.00 54.10 C ATOM 1461 CE LYS B 67 10.186 23.157 -9.499 1.00 56.15 C ATOM 1462 NZ LYS B 67 10.254 24.225 -10.529 1.00 53.96 N ATOM 1463 N ALA B 68 7.180 18.175 -8.767 1.00 42.79 N ATOM 1464 CA ALA B 68 7.812 16.923 -9.150 1.00 41.14 C ATOM 1465 C ALA B 68 7.291 16.454 -10.491 1.00 39.91 C ATOM 1466 O ALA B 68 8.076 16.014 -11.325 1.00 42.00 O ATOM 1467 CB ALA B 68 7.574 15.847 -8.096 1.00 35.59 C ATOM 1468 N SER B 69 5.976 16.558 -10.705 1.00 38.95 N ATOM 1469 CA SER B 69 5.391 16.118 -11.973 1.00 43.37 C ATOM 1470 C SER B 69 5.966 16.908 -13.148 1.00 42.89 C ATOM 1471 O SER B 69 6.167 16.350 -14.226 1.00 45.03 O ATOM 1472 CB SER B 69 3.857 16.235 -11.959 1.00 41.23 C ATOM 1473 OG SER B 69 3.423 17.573 -12.108 1.00 44.48 O ATOM 1474 N LYS B 70 6.234 18.196 -12.935 1.00 44.80 N ATOM 1475 CA LYS B 70 6.803 19.044 -13.980 1.00 46.41 C ATOM 1476 C LYS B 70 8.234 18.606 -14.265 1.00 46.42 C ATOM 1477 O LYS B 70 8.608 18.415 -15.416 1.00 45.71 O ATOM 1478 CB LYS B 70 6.815 20.514 -13.553 1.00 46.83 C ATOM 1479 CG LYS B 70 5.456 21.130 -13.428 1.00 52.60 C ATOM 1480 CD LYS B 70 5.542 22.551 -12.882 1.00 71.74 C ATOM 1481 CE LYS B 70 6.267 23.488 -13.843 1.00 73.09 C ATOM 1482 NZ LYS B 70 6.221 24.913 -13.391 1.00 73.84 N ATOM 1483 N LEU B 71 9.026 18.459 -13.210 1.00 43.02 N ATOM 1484 CA LEU B 71 10.411 18.041 -13.344 1.00 43.78 C ATOM 1485 C LEU B 71 10.522 16.674 -14.041 1.00 47.44 C ATOM 1486 O LEU B 71 11.390 16.466 -14.899 1.00 49.61 O ATOM 1487 CB LEU B 71 11.054 17.969 -11.960 1.00 41.90 C ATOM 1488 CG LEU B 71 11.850 19.153 -11.395 1.00 46.71 C ATOM 1489 CD1 LEU B 71 11.413 20.476 -12.000 1.00 51.25 C ATOM 1490 CD2 LEU B 71 11.692 19.147 -9.875 1.00 49.96 C ATOM 1491 N LEU B 72 9.645 15.743 -13.664 1.00 46.04 N ATOM 1492 CA LEU B 72 9.648 14.415 -14.254 1.00 44.90 C ATOM 1493 C LEU B 72 9.305 14.461 -15.739 1.00 42.78 C ATOM 1494 O LEU B 72 9.506 13.484 -16.460 1.00 40.33 O ATOM 1495 CB LEU B 72 8.655 13.509 -13.525 1.00 43.21 C ATOM 1496 CG LEU B 72 9.081 13.109 -12.112 1.00 38.99 C ATOM 1497 CD1 LEU B 72 7.920 12.469 -11.394 1.00 36.95 C ATOM 1498 CD2 LEU B 72 10.260 12.163 -12.176 1.00 31.82 C ATOM 1499 N ARG B 73 8.776 15.591 -16.197 1.00 43.95 N ATOM 1500 CA ARG B 73 8.423 15.724 -17.602 1.00 44.43 C ATOM 1501 C ARG B 73 9.634 15.459 -18.504 1.00 47.97 C ATOM 1502 O ARG B 73 9.530 14.753 -19.515 1.00 48.80 O ATOM 1503 CB ARG B 73 7.897 17.126 -17.887 1.00 44.28 C ATOM 1504 CG ARG B 73 7.463 17.328 -19.335 1.00 45.25 C ATOM 1505 CD ARG B 73 6.892 18.719 -19.579 1.00 39.59 C ATOM 1506 NE ARG B 73 6.174 18.756 -20.848 1.00 46.65 N ATOM 1507 CZ ARG B 73 6.765 18.678 -22.039 1.00 51.34 C ATOM 1508 NH1 ARG B 73 8.091 18.571 -22.119 1.00 42.16 N ATOM 1509 NH2 ARG B 73 6.035 18.677 -23.148 1.00 40.69 N ATOM 1510 N SER B 74 10.778 16.028 -18.127 1.00 47.94 N ATOM 1511 CA SER B 74 12.011 15.878 -18.902 1.00 54.39 C ATOM 1512 C SER B 74 12.467 14.419 -18.992 1.00 55.90 C ATOM 1513 O SER B 74 13.315 14.077 -19.811 1.00 57.71 O ATOM 1514 CB SER B 74 13.125 16.734 -18.289 1.00 52.03 C ATOM 1515 OG SER B 74 13.546 16.189 -17.054 1.00 53.08 O ATOM 1516 N ASN B 75 11.911 13.572 -18.131 1.00 58.30 N ATOM 1517 CA ASN B 75 12.228 12.151 -18.121 1.00 56.92 C ATOM 1518 C ASN B 75 11.153 11.481 -18.987 1.00 55.46 C ATOM 1519 O ASN B 75 11.452 10.668 -19.858 1.00 54.76 O ATOM 1520 CB ASN B 75 12.204 11.619 -16.675 1.00 57.68 C ATOM 1521 CG ASN B 75 13.455 12.043 -15.845 1.00 66.84 C ATOM 1522 OD1 ASN B 75 14.493 11.377 -15.905 1.00 67.20 O ATOM 1523 ND2 ASN B 75 13.348 13.152 -15.075 1.00 50.72 N ATOM 1524 N ASN B 76 9.901 11.860 -18.760 1.00 54.20 N ATOM 1525 CA ASN B 76 8.775 11.327 -19.523 1.00 53.14 C ATOM 1526 C ASN B 76 7.760 12.465 -19.696 1.00 52.75 C ATOM 1527 O ASN B 76 7.108 12.890 -18.736 1.00 54.47 O ATOM 1528 CB ASN B 76 8.139 10.156 -18.779 1.00 52.39 C ATOM 1529 CG ASN B 76 7.090 9.438 -19.608 1.00 55.47 C ATOM 1530 OD1 ASN B 76 6.439 10.032 -20.475 1.00 58.85 O ATOM 1531 ND2 ASN B 76 6.903 8.150 -19.329 1.00 61.08 N ATOM 1532 N THR B 77 7.631 12.956 -20.925 1.00 51.83 N ATOM 1533 CA THR B 77 6.741 14.075 -21.215 1.00 50.92 C ATOM 1534 C THR B 77 5.271 13.841 -20.885 1.00 50.02 C ATOM 1535 O THR B 77 4.478 14.786 -20.819 1.00 51.77 O ATOM 1536 CB THR B 77 6.858 14.500 -22.700 1.00 51.79 C ATOM 1537 OG1 THR B 77 6.312 13.480 -23.546 1.00 52.96 O ATOM 1538 CG2 THR B 77 8.316 14.732 -23.062 1.00 48.89 C ATOM 1539 N GLU B 78 4.910 12.590 -20.648 1.00 47.06 N ATOM 1540 CA GLU B 78 3.520 12.267 -20.348 1.00 47.33 C ATOM 1541 C GLU B 78 3.145 12.394 -18.866 1.00 45.16 C ATOM 1542 O GLU B 78 1.972 12.490 -18.523 1.00 44.56 O ATOM 1543 CB GLU B 78 3.229 10.846 -20.836 1.00 48.14 C ATOM 1544 CG GLU B 78 1.762 10.485 -20.860 1.00 48.03 C ATOM 1545 CD GLU B 78 1.506 9.085 -21.396 1.00 56.54 C ATOM 1546 OE1 GLU B 78 0.312 8.737 -21.535 1.00 59.02 O ATOM 1547 OE2 GLU B 78 2.483 8.334 -21.672 1.00 63.09 O ATOM 1548 N ILE B 79 4.135 12.416 -17.988 1.00 45.67 N ATOM 1549 CA ILE B 79 3.842 12.471 -16.568 1.00 46.33 C ATOM 1550 C ILE B 79 2.970 13.633 -16.048 1.00 48.47 C ATOM 1551 O ILE B 79 2.078 13.419 -15.209 1.00 47.06 O ATOM 1552 CB ILE B 79 5.141 12.353 -15.786 1.00 45.11 C ATOM 1553 CG1 ILE B 79 5.712 10.946 -16.034 1.00 34.51 C ATOM 1554 CG2 ILE B 79 4.903 12.645 -14.318 1.00 42.20 C ATOM 1555 CD1 ILE B 79 7.053 10.678 -15.391 1.00 46.15 C ATOM 1556 N PRO B 80 3.208 14.865 -16.525 1.00 46.00 N ATOM 1557 CA PRO B 80 2.384 15.993 -16.053 1.00 46.53 C ATOM 1558 C PRO B 80 0.903 15.832 -16.439 1.00 46.47 C ATOM 1559 O PRO B 80 0.018 16.345 -15.766 1.00 48.07 O ATOM 1560 CB PRO B 80 3.007 17.211 -16.748 1.00 46.75 C ATOM 1561 CG PRO B 80 4.454 16.805 -16.943 1.00 48.15 C ATOM 1562 CD PRO B 80 4.363 15.329 -17.319 1.00 46.07 C ATOM 1563 N ILE B 81 0.646 15.121 -17.530 1.00 46.95 N ATOM 1564 CA ILE B 81 -0.711 14.917 -18.020 1.00 47.03 C ATOM 1565 C ILE B 81 -1.442 13.889 -17.169 1.00 49.71 C ATOM 1566 O ILE B 81 -2.640 14.044 -16.878 1.00 50.49 O ATOM 1567 CB ILE B 81 -0.689 14.433 -19.483 1.00 50.09 C ATOM 1568 CG1 ILE B 81 -0.055 15.513 -20.369 1.00 50.45 C ATOM 1569 CG2 ILE B 81 -2.104 14.081 -19.952 1.00 44.13 C ATOM 1570 CD1 ILE B 81 0.291 15.036 -21.775 1.00 50.10 C ATOM 1571 N LEU B 82 -0.735 12.827 -16.781 1.00 49.08 N ATOM 1572 CA LEU B 82 -1.360 11.816 -15.941 1.00 46.76 C ATOM 1573 C LEU B 82 -1.645 12.503 -14.606 1.00 44.48 C ATOM 1574 O LEU B 82 -2.738 12.373 -14.054 1.00 42.30 O ATOM 1575 CB LEU B 82 -0.431 10.615 -15.709 1.00 48.84 C ATOM 1576 CG LEU B 82 -0.109 9.558 -16.779 1.00 47.81 C ATOM 1577 CD1 LEU B 82 -1.149 9.578 -17.894 1.00 49.11 C ATOM 1578 CD2 LEU B 82 1.287 9.805 -17.322 1.00 52.30 C ATOM 1579 N TRP B 83 -0.671 13.264 -14.113 1.00 42.89 N ATOM 1580 CA TRP B 83 -0.841 13.942 -12.845 1.00 41.77 C ATOM 1581 C TRP B 83 -2.101 14.800 -12.818 1.00 43.90 C ATOM 1582 O TRP B 83 -2.822 14.835 -11.808 1.00 43.35 O ATOM 1583 CB TRP B 83 0.379 14.800 -12.505 1.00 37.92 C ATOM 1584 CG TRP B 83 0.203 15.466 -11.186 1.00 42.79 C ATOM 1585 CD1 TRP B 83 0.027 16.805 -10.962 1.00 30.99 C ATOM 1586 CD2 TRP B 83 0.048 14.820 -9.907 1.00 33.94 C ATOM 1587 NE1 TRP B 83 -0.233 17.032 -9.623 1.00 34.68 N ATOM 1588 CE2 TRP B 83 -0.227 15.832 -8.956 1.00 36.64 C ATOM 1589 CE3 TRP B 83 0.105 13.488 -9.476 1.00 36.25 C ATOM 1590 CZ2 TRP B 83 -0.447 15.548 -7.590 1.00 37.58 C ATOM 1591 CZ3 TRP B 83 -0.117 13.199 -8.105 1.00 34.13 C ATOM 1592 CH2 TRP B 83 -0.388 14.229 -7.188 1.00 37.27 C ATOM 1593 N LYS B 84 -2.368 15.483 -13.926 1.00 43.30 N ATOM 1594 CA LYS B 84 -3.545 16.337 -14.036 1.00 44.19 C ATOM 1595 C LYS B 84 -4.801 15.513 -13.770 1.00 41.04 C ATOM 1596 O LYS B 84 -5.660 15.920 -12.995 1.00 42.64 O ATOM 1597 CB LYS B 84 -3.615 16.958 -15.442 1.00 47.28 C ATOM 1598 CG LYS B 84 -4.781 17.936 -15.683 1.00 50.55 C ATOM 1599 CD LYS B 84 -4.525 19.333 -15.072 1.00 67.94 C ATOM 1600 CE LYS B 84 -4.809 19.395 -13.564 1.00 66.29 C ATOM 1601 NZ LYS B 84 -4.441 20.723 -12.977 1.00 59.20 N ATOM 1602 N SER B 85 -4.892 14.351 -14.417 1.00 41.57 N ATOM 1603 CA SER B 85 -6.034 13.455 -14.247 1.00 42.72 C ATOM 1604 C SER B 85 -6.171 13.003 -12.793 1.00 40.14 C ATOM 1605 O SER B 85 -7.274 12.845 -12.274 1.00 40.50 O ATOM 1606 CB SER B 85 -5.879 12.243 -15.154 1.00 44.98 C ATOM 1607 OG SER B 85 -5.863 12.666 -16.509 1.00 45.87 O ATOM 1608 N ALA B 86 -5.036 12.802 -12.134 1.00 38.39 N ATOM 1609 CA ALA B 86 -5.032 12.401 -10.732 1.00 37.87 C ATOM 1610 C ALA B 86 -5.589 13.534 -9.855 1.00 37.63 C ATOM 1611 O ALA B 86 -6.452 13.305 -9.003 1.00 37.66 O ATOM 1612 CB ALA B 86 -3.605 12.044 -10.297 1.00 31.96 C ATOM 1613 N TRP B 87 -5.093 14.752 -10.063 1.00 37.21 N ATOM 1614 CA TRP B 87 -5.539 15.906 -9.276 1.00 38.07 C ATOM 1615 C TRP B 87 -7.039 16.123 -9.485 1.00 40.87 C ATOM 1616 O TRP B 87 -7.775 16.454 -8.553 1.00 41.94 O ATOM 1617 CB TRP B 87 -4.750 17.153 -9.687 1.00 36.48 C ATOM 1618 CG TRP B 87 -5.081 18.396 -8.912 1.00 38.32 C ATOM 1619 CD1 TRP B 87 -5.685 19.537 -9.392 1.00 34.30 C ATOM 1620 CD2 TRP B 87 -4.782 18.654 -7.536 1.00 41.87 C ATOM 1621 NE1 TRP B 87 -5.768 20.483 -8.399 1.00 36.93 N ATOM 1622 CE2 TRP B 87 -5.221 19.971 -7.251 1.00 37.49 C ATOM 1623 CE3 TRP B 87 -4.175 17.909 -6.516 1.00 41.63 C ATOM 1624 CZ2 TRP B 87 -5.077 20.551 -5.976 1.00 40.20 C ATOM 1625 CZ3 TRP B 87 -4.031 18.486 -5.253 1.00 36.45 C ATOM 1626 CH2 TRP B 87 -4.474 19.794 -4.997 1.00 34.84 C ATOM 1627 N THR B 88 -7.490 15.910 -10.715 1.00 41.08 N ATOM 1628 CA THR B 88 -8.905 16.068 -11.038 1.00 44.73 C ATOM 1629 C THR B 88 -9.759 15.060 -10.274 1.00 45.47 C ATOM 1630 O THR B 88 -10.855 15.397 -9.809 1.00 46.59 O ATOM 1631 CB THR B 88 -9.138 15.921 -12.549 1.00 44.78 C ATOM 1632 OG1 THR B 88 -8.531 17.038 -13.215 1.00 52.84 O ATOM 1633 CG2 THR B 88 -10.625 15.890 -12.873 1.00 42.99 C ATOM 1634 N LEU B 89 -9.266 13.829 -10.140 1.00 42.51 N ATOM 1635 CA LEU B 89 -10.009 12.827 -9.387 1.00 40.67 C ATOM 1636 C LEU B 89 -10.098 13.322 -7.958 1.00 40.12 C ATOM 1637 O LEU B 89 -11.156 13.255 -7.337 1.00 43.54 O ATOM 1638 CB LEU B 89 -9.299 11.471 -9.386 1.00 38.98 C ATOM 1639 CG LEU B 89 -9.397 10.647 -10.666 1.00 36.25 C ATOM 1640 CD1 LEU B 89 -8.478 9.448 -10.589 1.00 35.94 C ATOM 1641 CD2 LEU B 89 -10.845 10.245 -10.878 1.00 34.30 C ATOM 1642 N HIS B 90 -8.976 13.832 -7.450 1.00 39.38 N ATOM 1643 CA HIS B 90 -8.885 14.340 -6.084 1.00 35.88 C ATOM 1644 C HIS B 90 -9.831 15.501 -5.794 1.00 39.12 C ATOM 1645 O HIS B 90 -10.469 15.540 -4.745 1.00 40.64 O ATOM 1646 CB HIS B 90 -7.449 14.789 -5.800 1.00 36.82 C ATOM 1647 CG HIS B 90 -7.280 15.525 -4.507 1.00 34.49 C ATOM 1648 ND1 HIS B 90 -7.334 14.899 -3.283 1.00 35.77 N ATOM 1649 CD2 HIS B 90 -7.020 16.832 -4.253 1.00 39.06 C ATOM 1650 CE1 HIS B 90 -7.108 15.786 -2.326 1.00 42.18 C ATOM 1651 NE2 HIS B 90 -6.912 16.965 -2.888 1.00 36.87 N ATOM 1652 N VAL B 91 -9.897 16.455 -6.715 1.00 41.18 N ATOM 1653 CA VAL B 91 -10.748 17.619 -6.536 1.00 41.80 C ATOM 1654 C VAL B 91 -12.227 17.287 -6.649 1.00 45.59 C ATOM 1655 O VAL B 91 -13.028 17.713 -5.816 1.00 44.59 O ATOM 1656 CB VAL B 91 -10.388 18.710 -7.555 1.00 43.57 C ATOM 1657 CG1 VAL B 91 -11.471 19.784 -7.612 1.00 35.02 C ATOM 1658 CG2 VAL B 91 -9.046 19.314 -7.165 1.00 35.30 C ATOM 1659 N GLU B 92 -12.586 16.532 -7.684 1.00 47.27 N ATOM 1660 CA GLU B 92 -13.975 16.141 -7.893 1.00 50.18 C ATOM 1661 C GLU B 92 -14.479 15.320 -6.710 1.00 51.05 C ATOM 1662 O GLU B 92 -15.605 15.498 -6.253 1.00 53.13 O ATOM 1663 CB GLU B 92 -14.102 15.318 -9.172 1.00 49.71 C ATOM 1664 CG GLU B 92 -13.796 16.086 -10.444 1.00 55.99 C ATOM 1665 CD GLU B 92 -14.679 17.310 -10.605 1.00 62.54 C ATOM 1666 OE1 GLU B 92 -15.815 17.297 -10.079 1.00 65.12 O ATOM 1667 OE2 GLU B 92 -14.247 18.279 -11.265 1.00 69.08 O ATOM 1668 N GLY B 93 -13.633 14.420 -6.221 1.00 52.99 N ATOM 1669 CA GLY B 93 -13.998 13.581 -5.095 1.00 52.98 C ATOM 1670 C GLY B 93 -14.186 14.406 -3.845 1.00 53.52 C ATOM 1671 O GLY B 93 -14.992 14.078 -2.981 1.00 54.95 O ATOM 1672 N PHE B 94 -13.431 15.489 -3.763 1.00 57.86 N ATOM 1673 CA PHE B 94 -13.486 16.411 -2.644 1.00 61.36 C ATOM 1674 C PHE B 94 -14.856 17.081 -2.564 1.00 63.38 C ATOM 1675 O PHE B 94 -15.451 17.178 -1.492 1.00 66.88 O ATOM 1676 CB PHE B 94 -12.402 17.465 -2.834 1.00 62.78 C ATOM 1677 CG PHE B 94 -12.458 18.584 -1.851 1.00 62.97 C ATOM 1678 CD1 PHE B 94 -12.017 18.403 -0.546 1.00 68.55 C ATOM 1679 CD2 PHE B 94 -12.923 19.835 -2.244 1.00 68.95 C ATOM 1680 CE1 PHE B 94 -12.031 19.458 0.361 1.00 71.76 C ATOM 1681 CE2 PHE B 94 -12.944 20.899 -1.354 1.00 70.24 C ATOM 1682 CZ PHE B 94 -12.496 20.715 -0.044 1.00 68.57 C ATOM 1683 N HIS B 95 -15.356 17.537 -3.707 1.00 66.89 N ATOM 1684 CA HIS B 95 -16.653 18.211 -3.764 1.00 70.28 C ATOM 1685 C HIS B 95 -17.842 17.271 -3.668 1.00 72.88 C ATOM 1686 O HIS B 95 -18.991 17.708 -3.706 1.00 73.39 O ATOM 1687 CB HIS B 95 -16.755 19.068 -5.030 1.00 68.82 C ATOM 1688 CG HIS B 95 -16.067 20.392 -4.903 1.00 69.60 C ATOM 1689 ND1 HIS B 95 -14.693 20.523 -4.903 1.00 69.88 N ATOM 1690 CD2 HIS B 95 -16.560 21.638 -4.699 1.00 71.41 C ATOM 1691 CE1 HIS B 95 -14.372 21.789 -4.703 1.00 72.58 C ATOM 1692 NE2 HIS B 95 -15.488 22.487 -4.575 1.00 69.66 N ATOM 1693 N GLU B 96 -17.552 15.982 -3.541 1.00 78.65 N ATOM 1694 CA GLU B 96 -18.580 14.958 -3.393 1.00 81.34 C ATOM 1695 C GLU B 96 -19.812 15.160 -4.270 1.00 83.15 C ATOM 1696 O GLU B 96 -20.933 14.897 -3.839 1.00 84.70 O ATOM 1697 CB GLU B 96 -18.995 14.865 -1.926 1.00 80.86 C ATOM 1698 N LEU B 97 -19.604 15.633 -5.494 1.00 84.43 N ATOM 1699 CA LEU B 97 -20.696 15.848 -6.442 1.00 84.91 C ATOM 1700 C LEU B 97 -20.140 15.807 -7.860 1.00 85.15 C ATOM 1701 O LEU B 97 -18.923 15.785 -8.062 1.00 86.49 O ATOM 1702 CB LEU B 97 -21.379 17.201 -6.209 1.00 85.99 C ATOM 1703 CG LEU B 97 -22.204 17.458 -4.942 1.00 87.42 C ATOM 1704 CD1 LEU B 97 -22.724 18.890 -4.979 1.00 88.40 C ATOM 1705 CD2 LEU B 97 -23.367 16.481 -4.843 1.00 87.69 C ATOM 1706 N SER B 98 -21.035 15.789 -8.841 1.00 83.43 N ATOM 1707 CA SER B 98 -20.632 15.763 -10.246 1.00 82.16 C ATOM 1708 C SER B 98 -19.824 14.512 -10.595 1.00 81.12 C ATOM 1709 O SER B 98 -19.320 14.386 -11.708 1.00 80.85 O ATOM 1710 CB SER B 98 -19.823 17.018 -10.573 1.00 81.55 C ATOM 1711 N LEU B 99 -19.716 13.590 -9.645 1.00 78.14 N ATOM 1712 CA LEU B 99 -18.966 12.354 -9.849 1.00 77.14 C ATOM 1713 C LEU B 99 -19.668 11.349 -10.773 1.00 77.21 C ATOM 1714 O LEU B 99 -20.755 10.861 -10.460 1.00 77.75 O ATOM 1715 CB LEU B 99 -18.689 11.698 -8.496 1.00 76.19 C ATOM 1716 CG LEU B 99 -17.762 12.460 -7.551 1.00 74.80 C ATOM 1717 CD1 LEU B 99 -17.739 11.795 -6.189 1.00 69.08 C ATOM 1718 CD2 LEU B 99 -16.361 12.505 -8.153 1.00 74.19 C ATOM 1719 N ASN B 100 -19.037 11.035 -11.904 1.00 77.18 N ATOM 1720 CA ASN B 100 -19.606 10.082 -12.852 1.00 76.33 C ATOM 1721 C ASN B 100 -18.740 8.823 -12.985 1.00 75.91 C ATOM 1722 O ASN B 100 -17.534 8.909 -13.207 1.00 76.06 O ATOM 1723 CB ASN B 100 -19.781 10.740 -14.213 1.00 76.25 C ATOM 1724 N GLU B 101 -19.371 7.659 -12.849 1.00 73.96 N ATOM 1725 CA GLU B 101 -18.693 6.368 -12.958 1.00 73.02 C ATOM 1726 C GLU B 101 -17.805 6.283 -14.200 1.00 71.73 C ATOM 1727 O GLU B 101 -16.609 5.999 -14.097 1.00 74.04 O ATOM 1728 CB GLU B 101 -19.744 5.244 -12.983 1.00 73.16 C ATOM 1729 CG GLU B 101 -19.263 3.868 -13.467 1.00 77.63 C ATOM 1730 CD GLU B 101 -18.774 2.951 -12.341 1.00 83.34 C ATOM 1731 OE1 GLU B 101 -18.594 1.734 -12.599 1.00 74.05 O ATOM 1732 OE2 GLU B 101 -18.565 3.439 -11.207 1.00 85.14 O ATOM 1733 N LYS B 102 -18.394 6.542 -15.366 1.00 70.07 N ATOM 1734 CA LYS B 102 -17.681 6.478 -16.640 1.00 67.28 C ATOM 1735 C LYS B 102 -16.485 7.427 -16.746 1.00 64.67 C ATOM 1736 O LYS B 102 -15.493 7.117 -17.403 1.00 64.49 O ATOM 1737 CB LYS B 102 -18.656 6.741 -17.790 1.00 67.73 C ATOM 1738 N GLU B 103 -16.577 8.586 -16.109 1.00 62.79 N ATOM 1739 CA GLU B 103 -15.488 9.550 -16.164 1.00 62.70 C ATOM 1740 C GLU B 103 -14.365 9.212 -15.189 1.00 59.91 C ATOM 1741 O GLU B 103 -13.187 9.428 -15.481 1.00 56.92 O ATOM 1742 CB GLU B 103 -16.034 10.948 -15.893 1.00 65.00 C ATOM 1743 CG GLU B 103 -16.881 11.468 -17.042 1.00 71.72 C ATOM 1744 CD GLU B 103 -17.621 12.744 -16.695 1.00 82.15 C ATOM 1745 OE1 GLU B 103 -18.587 12.679 -15.900 1.00 84.25 O ATOM 1746 OE2 GLU B 103 -17.227 13.813 -17.215 1.00 86.42 O ATOM 1747 N VAL B 104 -14.743 8.684 -14.028 1.00 58.67 N ATOM 1748 CA VAL B 104 -13.774 8.294 -13.019 1.00 55.45 C ATOM 1749 C VAL B 104 -12.890 7.235 -13.636 1.00 55.49 C ATOM 1750 O VAL B 104 -11.672 7.275 -13.497 1.00 54.11 O ATOM 1751 CB VAL B 104 -14.456 7.706 -11.763 1.00 58.01 C ATOM 1752 CG1 VAL B 104 -13.421 7.019 -10.874 1.00 53.47 C ATOM 1753 CG2 VAL B 104 -15.162 8.818 -10.993 1.00 53.90 C ATOM 1754 N LYS B 105 -13.522 6.289 -14.324 1.00 55.76 N ATOM 1755 CA LYS B 105 -12.802 5.211 -14.984 1.00 55.92 C ATOM 1756 C LYS B 105 -11.826 5.777 -15.995 1.00 55.25 C ATOM 1757 O LYS B 105 -10.675 5.352 -16.064 1.00 57.66 O ATOM 1758 CB LYS B 105 -13.772 4.274 -15.703 1.00 54.68 C ATOM 1759 CG LYS B 105 -14.562 3.345 -14.793 1.00 60.80 C ATOM 1760 CD LYS B 105 -15.497 2.464 -15.614 1.00 64.76 C ATOM 1761 CE LYS B 105 -16.235 1.457 -14.744 1.00 67.40 C ATOM 1762 NZ LYS B 105 -17.167 0.609 -15.553 1.00 69.57 N ATOM 1763 N LYS B 106 -12.288 6.747 -16.777 1.00 56.30 N ATOM 1764 CA LYS B 106 -11.449 7.358 -17.796 1.00 56.13 C ATOM 1765 C LYS B 106 -10.190 7.958 -17.169 1.00 51.85 C ATOM 1766 O LYS B 106 -9.080 7.732 -17.655 1.00 50.94 O ATOM 1767 CB LYS B 106 -12.245 8.436 -18.548 1.00 58.66 C ATOM 1768 CG LYS B 106 -11.536 9.007 -19.778 1.00 63.46 C ATOM 1769 CD LYS B 106 -10.907 10.379 -19.512 1.00 75.52 C ATOM 1770 CE LYS B 106 -11.974 11.468 -19.342 1.00 76.41 C ATOM 1771 NZ LYS B 106 -11.400 12.816 -19.031 1.00 72.23 N ATOM 1772 N LEU B 107 -10.376 8.705 -16.083 1.00 48.21 N ATOM 1773 CA LEU B 107 -9.269 9.350 -15.387 1.00 46.49 C ATOM 1774 C LEU B 107 -8.345 8.368 -14.659 1.00 45.61 C ATOM 1775 O LEU B 107 -7.121 8.483 -14.748 1.00 45.09 O ATOM 1776 CB LEU B 107 -9.803 10.382 -14.391 1.00 44.59 C ATOM 1777 CG LEU B 107 -10.629 11.549 -14.952 1.00 46.73 C ATOM 1778 CD1 LEU B 107 -11.357 12.229 -13.800 1.00 53.03 C ATOM 1779 CD2 LEU B 107 -9.745 12.557 -15.691 1.00 37.66 C ATOM 1780 N LYS B 108 -8.922 7.391 -13.965 1.00 46.03 N ATOM 1781 CA LYS B 108 -8.108 6.432 -13.229 1.00 48.18 C ATOM 1782 C LYS B 108 -7.216 5.606 -14.141 1.00 48.07 C ATOM 1783 O LYS B 108 -6.213 5.056 -13.693 1.00 51.80 O ATOM 1784 CB LYS B 108 -8.984 5.528 -12.337 1.00 48.80 C ATOM 1785 CG LYS B 108 -9.851 4.493 -13.037 1.00 49.94 C ATOM 1786 CD LYS B 108 -9.095 3.205 -13.313 1.00 44.68 C ATOM 1787 CE LYS B 108 -10.069 2.091 -13.702 1.00 48.03 C ATOM 1788 NZ LYS B 108 -9.379 0.790 -13.974 1.00 48.32 N ATOM 1789 N GLU B 109 -7.563 5.514 -15.418 1.00 50.21 N ATOM 1790 CA GLU B 109 -6.713 4.778 -16.354 1.00 50.59 C ATOM 1791 C GLU B 109 -5.385 5.533 -16.471 1.00 48.69 C ATOM 1792 O GLU B 109 -4.334 4.931 -16.663 1.00 48.67 O ATOM 1793 CB GLU B 109 -7.388 4.662 -17.722 1.00 53.86 C ATOM 1794 CG GLU B 109 -6.440 4.365 -18.909 1.00 56.76 C ATOM 1795 CD GLU B 109 -5.689 3.025 -18.825 1.00 69.24 C ATOM 1796 OE1 GLU B 109 -6.109 2.109 -18.075 1.00 64.49 O ATOM 1797 OE2 GLU B 109 -4.668 2.887 -19.541 1.00 69.00 O ATOM 1798 N ASP B 110 -5.434 6.858 -16.347 1.00 49.41 N ATOM 1799 CA ASP B 110 -4.206 7.650 -16.404 1.00 46.18 C ATOM 1800 C ASP B 110 -3.403 7.401 -15.135 1.00 44.45 C ATOM 1801 O ASP B 110 -2.171 7.358 -15.175 1.00 43.45 O ATOM 1802 CB ASP B 110 -4.509 9.145 -16.539 1.00 48.84 C ATOM 1803 CG ASP B 110 -4.860 9.545 -17.966 1.00 51.97 C ATOM 1804 OD1 ASP B 110 -4.546 8.771 -18.898 1.00 46.92 O ATOM 1805 OD2 ASP B 110 -5.433 10.638 -18.155 1.00 52.21 O ATOM 1806 N VAL B 111 -4.108 7.245 -14.010 1.00 45.79 N ATOM 1807 CA VAL B 111 -3.459 6.963 -12.734 1.00 43.67 C ATOM 1808 C VAL B 111 -2.733 5.623 -12.874 1.00 43.93 C ATOM 1809 O VAL B 111 -1.605 5.440 -12.386 1.00 43.30 O ATOM 1810 CB VAL B 111 -4.483 6.855 -11.574 1.00 45.03 C ATOM 1811 CG1 VAL B 111 -3.796 6.325 -10.315 1.00 46.64 C ATOM 1812 CG2 VAL B 111 -5.110 8.224 -11.279 1.00 34.34 C ATOM 1813 N ARG B 112 -3.380 4.686 -13.561 1.00 46.23 N ATOM 1814 CA ARG B 112 -2.783 3.376 -13.769 1.00 48.60 C ATOM 1815 C ARG B 112 -1.451 3.521 -14.501 1.00 48.87 C ATOM 1816 O ARG B 112 -0.429 3.018 -14.032 1.00 51.71 O ATOM 1817 CB ARG B 112 -3.726 2.478 -14.569 1.00 49.30 C ATOM 1818 CG ARG B 112 -3.471 0.988 -14.382 1.00 54.59 C ATOM 1819 CD ARG B 112 -4.338 0.175 -15.338 1.00 57.58 C ATOM 1820 NE ARG B 112 -4.131 0.642 -16.708 1.00 66.93 N ATOM 1821 CZ ARG B 112 -2.998 0.482 -17.385 1.00 60.66 C ATOM 1822 NH1 ARG B 112 -1.974 -0.150 -16.827 1.00 67.46 N ATOM 1823 NH2 ARG B 112 -2.872 0.993 -18.602 1.00 63.38 N ATOM 1824 N LYS B 113 -1.454 4.221 -15.635 1.00 46.81 N ATOM 1825 CA LYS B 113 -0.220 4.403 -16.414 1.00 44.08 C ATOM 1826 C LYS B 113 0.888 5.045 -15.566 1.00 39.06 C ATOM 1827 O LYS B 113 2.063 4.739 -15.732 1.00 40.68 O ATOM 1828 CB LYS B 113 -0.466 5.282 -17.656 1.00 45.17 C ATOM 1829 CG LYS B 113 -1.419 4.732 -18.740 1.00 46.72 C ATOM 1830 CD LYS B 113 -1.788 5.875 -19.712 1.00 49.67 C ATOM 1831 CE LYS B 113 -2.986 5.567 -20.615 1.00 64.98 C ATOM 1832 NZ LYS B 113 -2.651 4.663 -21.759 1.00 74.75 N ATOM 1833 N LEU B 114 0.515 5.945 -14.666 1.00 41.03 N ATOM 1834 CA LEU B 114 1.502 6.613 -13.819 1.00 39.31 C ATOM 1835 C LEU B 114 2.108 5.608 -12.839 1.00 38.38 C ATOM 1836 O LEU B 114 3.316 5.591 -12.605 1.00 34.20 O ATOM 1837 CB LEU B 114 0.843 7.766 -13.065 1.00 36.64 C ATOM 1838 CG LEU B 114 1.735 8.579 -12.127 1.00 41.78 C ATOM 1839 CD1 LEU B 114 2.972 9.065 -12.858 1.00 36.78 C ATOM 1840 CD2 LEU B 114 0.942 9.749 -11.590 1.00 30.99 C ATOM 1841 N VAL B 115 1.253 4.761 -12.287 1.00 39.13 N ATOM 1842 CA VAL B 115 1.685 3.735 -11.356 1.00 41.72 C ATOM 1843 C VAL B 115 2.698 2.809 -12.019 1.00 43.86 C ATOM 1844 O VAL B 115 3.808 2.634 -11.506 1.00 46.52 O ATOM 1845 CB VAL B 115 0.479 2.902 -10.856 1.00 44.31 C ATOM 1846 CG1 VAL B 115 0.968 1.680 -10.074 1.00 43.79 C ATOM 1847 CG2 VAL B 115 -0.431 3.785 -9.980 1.00 34.12 C ATOM 1848 N ILE B 116 2.320 2.232 -13.160 1.00 45.13 N ATOM 1849 CA ILE B 116 3.215 1.333 -13.882 1.00 49.96 C ATOM 1850 C ILE B 116 4.518 2.035 -14.267 1.00 45.04 C ATOM 1851 O ILE B 116 5.584 1.405 -14.286 1.00 47.40 O ATOM 1852 CB ILE B 116 2.543 0.735 -15.165 1.00 52.60 C ATOM 1853 CG1 ILE B 116 2.054 1.853 -16.084 1.00 66.44 C ATOM 1854 CG2 ILE B 116 1.385 -0.169 -14.769 1.00 49.95 C ATOM 1855 CD1 ILE B 116 1.627 1.383 -17.484 1.00 80.16 C ATOM 1856 N PHE B 117 4.445 3.328 -14.577 1.00 44.13 N ATOM 1857 CA PHE B 117 5.658 4.055 -14.900 1.00 45.01 C ATOM 1858 C PHE B 117 6.553 4.038 -13.672 1.00 45.50 C ATOM 1859 O PHE B 117 7.738 3.756 -13.778 1.00 47.41 O ATOM 1860 CB PHE B 117 5.371 5.509 -15.268 1.00 46.83 C ATOM 1861 CG PHE B 117 4.989 5.717 -16.710 1.00 55.21 C ATOM 1862 CD1 PHE B 117 5.721 5.111 -17.736 1.00 57.95 C ATOM 1863 CD2 PHE B 117 3.931 6.569 -17.049 1.00 54.23 C ATOM 1864 CE1 PHE B 117 5.406 5.356 -19.097 1.00 63.86 C ATOM 1865 CE2 PHE B 117 3.605 6.825 -18.391 1.00 59.52 C ATOM 1866 CZ PHE B 117 4.342 6.219 -19.423 1.00 60.83 C ATOM 1867 N ALA B 118 5.977 4.331 -12.505 1.00 47.04 N ATOM 1868 CA ALA B 118 6.751 4.359 -11.261 1.00 47.60 C ATOM 1869 C ALA B 118 7.294 2.982 -10.914 1.00 45.37 C ATOM 1870 O ALA B 118 8.425 2.848 -10.447 1.00 46.27 O ATOM 1871 CB ALA B 118 5.907 4.897 -10.097 1.00 42.72 C ATOM 1872 N VAL B 119 6.482 1.958 -11.131 1.00 44.97 N ATOM 1873 CA VAL B 119 6.917 0.600 -10.847 1.00 44.63 C ATOM 1874 C VAL B 119 8.092 0.240 -11.761 1.00 48.06 C ATOM 1875 O VAL B 119 9.050 -0.400 -11.322 1.00 49.12 O ATOM 1876 CB VAL B 119 5.765 -0.402 -11.046 1.00 45.16 C ATOM 1877 CG1 VAL B 119 6.305 -1.831 -11.076 1.00 44.42 C ATOM 1878 CG2 VAL B 119 4.742 -0.245 -9.912 1.00 43.91 C ATOM 1879 N ASN B 120 8.034 0.674 -13.019 1.00 49.55 N ATOM 1880 CA ASN B 120 9.107 0.366 -13.964 1.00 52.33 C ATOM 1881 C ASN B 120 10.409 1.118 -13.718 1.00 52.43 C ATOM 1882 O ASN B 120 11.489 0.597 -13.998 1.00 52.63 O ATOM 1883 CB ASN B 120 8.645 0.606 -15.407 1.00 51.94 C ATOM 1884 CG ASN B 120 7.600 -0.403 -15.859 1.00 57.32 C ATOM 1885 OD1 ASN B 120 7.433 -1.458 -15.234 1.00 59.92 O ATOM 1886 ND2 ASN B 120 6.901 -0.096 -16.950 1.00 51.17 N ATOM 1887 N SER B 121 10.318 2.334 -13.190 1.00 54.04 N ATOM 1888 CA SER B 121 11.517 3.129 -12.930 1.00 56.96 C ATOM 1889 C SER B 121 12.375 2.425 -11.895 1.00 60.13 C ATOM 1890 O SER B 121 13.581 2.669 -11.777 1.00 60.97 O ATOM 1891 CB SER B 121 11.145 4.505 -12.390 1.00 56.41 C ATOM 1892 OG SER B 121 10.693 4.426 -11.045 1.00 54.97 O ATOM 1893 N LEU B 122 11.728 1.569 -11.186 1.00 61.96 N ATOM 1894 CA LEU B 122 12.401 0.851 -10.128 1.00 64.49 C ATOM 1895 C LEU B 122 13.580 -0.013 -10.597 1.00 66.38 C ATOM 1896 O LEU B 122 14.367 -0.497 -9.778 1.00 65.63 O ATOM 1897 CB LEU B 122 11.364 0.005 -9.392 1.00 64.77 C ATOM 1898 CG LEU B 122 11.430 -0.108 -7.868 1.00 66.37 C ATOM 1899 CD1 LEU B 122 11.664 1.241 -7.213 1.00 67.15 C ATOM 1900 CD2 LEU B 122 10.124 -0.714 -7.392 1.00 68.03 C ATOM 1901 N GLU B 123 13.744 -0.168 -11.906 1.00 68.03 N ATOM 1902 CA GLU B 123 14.818 -1.025 -12.397 1.00 70.37 C ATOM 1903 C GLU B 123 15.991 -0.430 -13.187 1.00 71.11 C ATOM 1904 O GLU B 123 17.006 -0.054 -12.594 1.00 74.05 O ATOM 1905 CB GLU B 123 14.191 -2.173 -13.182 1.00 72.15 C ATOM 1906 CG GLU B 123 12.997 -2.764 -12.459 1.00 75.17 C ATOM 1907 CD GLU B 123 12.397 -3.941 -13.191 1.00 78.04 C ATOM 1908 OE1 GLU B 123 12.101 -3.797 -14.399 1.00 80.03 O ATOM 1909 OE2 GLU B 123 12.217 -5.008 -12.557 1.00 80.53 O ATOM 1910 N HIS B 124 15.864 -0.355 -14.511 1.00 67.88 N ATOM 1911 CA HIS B 124 16.957 0.142 -15.363 1.00 70.94 C ATOM 1912 C HIS B 124 17.312 1.616 -15.177 1.00 72.95 C ATOM 1913 O HIS B 124 17.638 2.265 -16.204 1.00 71.89 O ATOM 1914 CB HIS B 124 16.639 -0.131 -16.850 1.00 66.88 C TER 1916 HIS B 124 HETATM 1916 O HOH A 203 6.085 1.512 -1.220 1.00 52.02 O HETATM 1917 O HOH A 204 -0.451 -9.206 0.490 1.00 47.73 O HETATM 1918 O HOH A 205 19.938 -2.464 5.569 1.00 62.89 O HETATM 1919 O HOH A 209 2.820 0.873 11.026 1.00 51.89 O HETATM 1920 O HOH A 215 -10.767 2.416 15.786 1.00 56.54 O HETATM 1921 O HOH A 228 15.007 -12.083 18.862 1.00 57.95 O HETATM 1922 O HOH A 230 -7.159 2.209 14.892 1.00 55.55 O HETATM 1923 O HOH A 233 -15.859 -13.011 3.467 1.00 81.88 O HETATM 1924 O HOH A 235 -16.163 -0.409 2.800 1.00 91.35 O HETATM 1925 O HOH A 237 -24.972 -10.436 11.999 1.00 67.32 O HETATM 1926 O HOH A 240 4.758 7.100 1.434 1.00 59.60 O HETATM 1927 O HOH A 242 4.374 -17.646 -3.920 1.00 62.03 O TER 1929 HOH A 242 HETATM 1929 O HOH B 200 16.986 3.091 -11.119 1.00 56.48 O HETATM 1930 O HOH B 201 -2.842 5.317 4.552 1.00 47.57 O HETATM 1931 O HOH B 202 2.828 23.741 -11.092 1.00 41.98 O HETATM 1932 O HOH B 206 -11.332 -3.971 -24.254 1.00 61.13 O HETATM 1933 O HOH B 210 -8.525 8.326 2.192 1.00 60.61 O HETATM 1934 O HOH B 211 -1.346 -1.354 -10.949 1.00 52.25 O HETATM 1935 O HOH B 214 21.892 0.559 -16.315 1.00 71.96 O HETATM 1936 O HOH B 216 -2.681 11.920 1.040 1.00 52.49 O HETATM 1937 O HOH B 218 -4.149 1.872 -23.108 1.00 68.00 O HETATM 1938 O HOH B 220 -1.368 8.578 1.939 1.00 63.06 O HETATM 1939 O HOH B 221 10.272 6.707 -20.279 1.00 61.79 O HETATM 1940 O HOH B 223 -4.660 -3.987 -8.704 1.00 60.71 O HETATM 1941 O HOH B 225 9.724 9.364 -15.260 1.00 51.19 O HETATM 1942 O HOH B 229 -13.953 12.509 -12.018 1.00 45.48 O HETATM 1943 O HOH B 231 3.299 19.098 -23.550 1.00 60.57 O HETATM 1944 O HOH B 239 18.801 8.808 1.075 1.00 63.03 O HETATM 1945 O HOH B 241 -7.822 1.295 -16.497 1.00 48.26 O TER 1946 HOH B 241 ENDMDL MASTER END