HEADER HYDROLASE 31-AUG-01 1JVV TITLE CRYSTAL STRUCTURE OF RIBONUCLEASE A (RETRO-SOAKED FORM) COMPND MOL_ID: 1; COMPND 2 MOLECULE: RIBONUCLEASE A; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: RNASE 1; RNASE A; COMPND 5 EC: 3.1.27.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS KEYWDS PROTEIN DYNAMICS, PROTEIN STRUCTURE-FUNCTION, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR L.VITAGLIANO,A.MERLINO,A.ZAGARI,L.MAZZARELLA REVDAT 2 24-FEB-09 1JVV 1 VERSN REVDAT 1 05-JUN-02 1JVV 0 JRNL AUTH L.VITAGLIANO,A.MERLINO,A.ZAGARI,L.MAZZARELLA JRNL TITL REVERSIBLE SUBSTRATE-INDUCED DOMAIN MOTIONS IN JRNL TITL 2 RIBONUCLEASE A JRNL REF PROTEINS V. 46 97 2002 JRNL REFN ISSN 0887-3585 JRNL PMID 11746706 JRNL DOI 10.1002/PROT.10033 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH L.VITAGLIANO,A.MERLINO,A.ZAGARI,L.MAZZARELLA REMARK 1 TITL PRODUCTIVE AND NON-PRODUCTIVE BINDING TO REMARK 1 TITL 2 RIBONUCLEASE A: X-RAY STRUCTURE OF TWO COMPLEXES REMARK 1 TITL 3 WITH URIDYLYL(2',5')GUANOSINE REMARK 1 REF PROTEIN SCI. V. 6 1217 2000 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH L.VITAGLIANO,S.ADINOLFI,A.RICCIO,F.SICA,A.ZAGARI, REMARK 1 AUTH 2 L.MAZZARELLA REMARK 1 TITL BINDING OF A SUBSTRATE ANALOG TO A DOMAIN SWAPPING REMARK 1 TITL 2 PROTEIN: X-RAY STRUCTURE OF THE COMPLEX OF BOVINE REMARK 1 TITL 3 SEMINAL RIBONUCLEASE WITH URIDYLYL(2',5')ADENOSINE REMARK 1 REF PROTEIN SCI. V. 7 1691 1998 REMARK 1 REFN ISSN 0961-8368 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 73.0 REMARK 3 NUMBER OF REFLECTIONS : 9128 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) : 0.170 REMARK 3 FREE R VALUE : 0.260 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 REMARK 3 FREE R VALUE TEST SET COUNT : 924 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.30 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 49.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2600 REMARK 3 BIN FREE R VALUE : 0.2700 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 77 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1894 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 69 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.017 REMARK 3 BOND ANGLES (DEGREES) : 2.23 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.40 REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JVV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-SEP-01. REMARK 100 THE RCSB ID CODE IS RCSB014243. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 22-SEP-99 REMARK 200 TEMPERATURE (KELVIN) : 298.0 REMARK 200 PH : 5.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : DOUBLE MIRRORS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAC SCIENCE DIP-2030B REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11257 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.0 REMARK 200 DATA REDUNDANCY : 2.700 REMARK 200 R MERGE (I) : 0.08600 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.30 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: 1JVU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, SODIUM CITRATE, PH 5.00, REMARK 280 VAPOR DIFFUSION, HANGING DROP AT 298K. THE CRYSTAL WAS REMARK 280 PREVIOUSLY SOAKED WITH 2'-CMP AND THEN RETRO-SOAKED BY WASHING REMARK 280 OUT THE NUCLEOTIDE REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 50.63500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.60000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.63500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.60000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A MONOMER REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 1 CG CD CE NZ REMARK 470 LYS B 1 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG B 85 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 14 77.31 -151.69 REMARK 500 ARG A 39 -178.98 176.56 REMARK 500 GLN A 60 -132.36 -85.61 REMARK 500 ASN A 71 39.37 -80.38 REMARK 500 ASN A 94 75.01 -100.24 REMARK 500 ALA A 122 -176.66 -176.26 REMARK 500 ASP B 14 82.88 -150.67 REMARK 500 HIS B 48 51.57 -104.89 REMARK 500 GLN B 60 -140.80 -99.09 REMARK 500 ASN B 71 38.16 -92.65 REMARK 500 ASN B 94 76.39 -102.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 73 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1JVT RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RNASE A (LIGAND-FREE FORM) REMARK 900 RELATED ID: 1JVU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RNASE A (COMPLEXED FORM) DBREF 1JVV A 1 124 UNP P61823 RNAS1_BOVIN 27 150 DBREF 1JVV B 1 124 UNP P61823 RNAS1_BOVIN 27 150 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL SEQRES 1 B 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 B 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 B 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 B 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 B 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 B 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 B 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 B 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 B 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 B 124 VAL HIS PHE ASP ALA SER VAL FORMUL 3 HOH *69(H2 O) HELIX 1 1 THR A 3 MET A 13 1 11 HELIX 2 2 ASN A 24 ARG A 33 1 10 HELIX 3 3 SER A 50 ALA A 56 1 7 HELIX 4 4 VAL A 57 GLN A 60 5 4 HELIX 5 5 THR B 3 MET B 13 1 11 HELIX 6 6 ASN B 24 ARG B 33 1 10 HELIX 7 7 SER B 50 ALA B 56 1 7 HELIX 8 8 VAL B 57 GLN B 60 5 4 SHEET 1 A 4 VAL A 116 VAL A 124 0 SHEET 2 A 4 TYR A 97 GLU A 111 -1 N HIS A 105 O VAL A 124 SHEET 3 A 4 CYS A 72 GLN A 74 -1 N TYR A 73 O VAL A 108 SHEET 4 A 4 LYS A 61 VAL A 63 -1 O LYS A 61 N GLN A 74 SHEET 1 B 4 VAL A 116 VAL A 124 0 SHEET 2 B 4 TYR A 97 GLU A 111 -1 N HIS A 105 O VAL A 124 SHEET 3 B 4 MET A 79 GLU A 86 -1 N MET A 79 O LYS A 104 SHEET 4 B 4 VAL A 43 VAL A 47 -1 O ASN A 44 N CYS A 84 SHEET 1 C 4 VAL B 116 VAL B 124 0 SHEET 2 C 4 TYR B 97 GLU B 111 -1 N HIS B 105 O VAL B 124 SHEET 3 C 4 CYS B 72 GLN B 74 -1 N TYR B 73 O VAL B 108 SHEET 4 C 4 LYS B 61 VAL B 63 -1 O LYS B 61 N GLN B 74 SHEET 1 D 4 VAL B 116 VAL B 124 0 SHEET 2 D 4 TYR B 97 GLU B 111 -1 N HIS B 105 O VAL B 124 SHEET 3 D 4 MET B 79 GLU B 86 -1 N MET B 79 O LYS B 104 SHEET 4 D 4 VAL B 43 VAL B 47 -1 O ASN B 44 N CYS B 84 SSBOND 1 CYS A 26 CYS A 84 1555 1555 2.02 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.03 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.01 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.02 SSBOND 5 CYS B 26 CYS B 84 1555 1555 2.04 SSBOND 6 CYS B 40 CYS B 95 1555 1555 2.02 SSBOND 7 CYS B 58 CYS B 110 1555 1555 2.01 SSBOND 8 CYS B 65 CYS B 72 1555 1555 2.01 CISPEP 1 TYR A 92 PRO A 93 0 0.37 CISPEP 2 ASN A 113 PRO A 114 0 0.25 CISPEP 3 TYR B 92 PRO B 93 0 -0.03 CISPEP 4 ASN B 113 PRO B 114 0 -0.28 CRYST1 101.270 33.200 73.580 90.00 90.10 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009870 0.000000 0.000020 0.00000 SCALE2 0.000000 0.030120 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013590 0.00000 ATOM 1 N LYS A 1 38.194 -20.268 27.194 1.00 54.00 N ATOM 2 CA LYS A 1 38.021 -19.311 26.046 1.00 52.30 C ATOM 3 C LYS A 1 36.920 -18.338 26.476 1.00 50.97 C ATOM 4 O LYS A 1 36.355 -18.493 27.570 1.00 53.92 O ATOM 5 CB LYS A 1 37.593 -20.063 24.774 1.00 51.24 C ATOM 6 N GLU A 2 36.739 -17.266 25.716 1.00 46.42 N ATOM 7 CA GLU A 2 35.688 -16.288 25.974 1.00 40.70 C ATOM 8 C GLU A 2 35.467 -15.767 24.580 1.00 37.31 C ATOM 9 O GLU A 2 36.442 -15.409 23.896 1.00 35.50 O ATOM 10 CB GLU A 2 36.120 -15.140 26.925 1.00 38.85 C ATOM 11 CG GLU A 2 34.924 -14.216 27.334 1.00 37.78 C ATOM 12 CD GLU A 2 35.245 -13.024 28.274 1.00 36.56 C ATOM 13 OE1 GLU A 2 36.238 -12.315 28.068 1.00 34.68 O ATOM 14 OE2 GLU A 2 34.447 -12.748 29.195 1.00 36.60 O ATOM 15 N THR A 3 34.221 -15.887 24.105 1.00 34.51 N ATOM 16 CA THR A 3 33.865 -15.386 22.772 1.00 30.77 C ATOM 17 C THR A 3 33.905 -13.885 22.745 1.00 26.71 C ATOM 18 O THR A 3 33.822 -13.221 23.780 1.00 25.69 O ATOM 19 CB THR A 3 32.483 -15.826 22.281 1.00 31.79 C ATOM 20 OG1 THR A 3 31.477 -15.414 23.206 1.00 32.43 O ATOM 21 CG2 THR A 3 32.434 -17.321 22.112 1.00 32.99 C ATOM 22 N ALA A 4 34.089 -13.375 21.538 1.00 25.70 N ATOM 23 CA ALA A 4 34.189 -11.947 21.239 1.00 23.15 C ATOM 24 C ALA A 4 32.990 -11.240 21.788 1.00 20.74 C ATOM 25 O ALA A 4 33.108 -10.210 22.424 1.00 21.07 O ATOM 26 CB ALA A 4 34.278 -11.735 19.703 1.00 23.02 C ATOM 27 N ALA A 5 31.847 -11.868 21.569 1.00 19.76 N ATOM 28 CA ALA A 5 30.565 -11.380 21.988 1.00 20.47 C ATOM 29 C ALA A 5 30.383 -11.352 23.501 1.00 21.65 C ATOM 30 O ALA A 5 29.772 -10.402 24.005 1.00 24.31 O ATOM 31 CB ALA A 5 29.490 -12.197 21.335 1.00 19.62 C ATOM 32 N ALA A 6 30.885 -12.359 24.240 1.00 21.84 N ATOM 33 CA ALA A 6 30.767 -12.385 25.730 1.00 21.21 C ATOM 34 C ALA A 6 31.762 -11.438 26.395 1.00 20.85 C ATOM 35 O ALA A 6 31.575 -10.936 27.505 1.00 22.26 O ATOM 36 CB ALA A 6 30.973 -13.765 26.246 1.00 21.60 C ATOM 37 N LYS A 7 32.861 -11.215 25.720 1.00 20.01 N ATOM 38 CA LYS A 7 33.850 -10.303 26.229 1.00 20.73 C ATOM 39 C LYS A 7 33.292 -8.866 26.090 1.00 18.76 C ATOM 40 O LYS A 7 33.580 -7.969 26.879 1.00 19.60 O ATOM 41 CB LYS A 7 35.111 -10.496 25.408 1.00 22.23 C ATOM 42 CG LYS A 7 36.132 -9.486 25.629 1.00 25.15 C ATOM 43 CD LYS A 7 37.335 -9.928 24.918 1.00 29.36 C ATOM 44 CE LYS A 7 38.476 -9.113 25.403 1.00 32.65 C ATOM 45 NZ LYS A 7 39.769 -9.630 24.850 1.00 37.12 N ATOM 46 N PHE A 8 32.496 -8.634 25.069 1.00 17.70 N ATOM 47 CA PHE A 8 31.907 -7.319 24.888 1.00 15.58 C ATOM 48 C PHE A 8 30.937 -7.031 26.061 1.00 15.80 C ATOM 49 O PHE A 8 30.896 -5.939 26.642 1.00 15.13 O ATOM 50 CB PHE A 8 31.179 -7.280 23.524 1.00 14.43 C ATOM 51 CG PHE A 8 30.450 -5.999 23.278 1.00 15.64 C ATOM 52 CD1 PHE A 8 29.104 -5.854 23.676 1.00 14.98 C ATOM 53 CD2 PHE A 8 31.137 -4.885 22.773 1.00 15.34 C ATOM 54 CE1 PHE A 8 28.472 -4.622 23.590 1.00 14.61 C ATOM 55 CE2 PHE A 8 30.511 -3.647 22.680 1.00 16.24 C ATOM 56 CZ PHE A 8 29.161 -3.524 23.100 1.00 16.86 C ATOM 57 N GLU A 9 30.131 -8.022 26.386 1.00 16.17 N ATOM 58 CA GLU A 9 29.166 -7.871 27.442 1.00 19.70 C ATOM 59 C GLU A 9 29.872 -7.692 28.774 1.00 18.41 C ATOM 60 O GLU A 9 29.494 -6.838 29.567 1.00 17.38 O ATOM 61 CB GLU A 9 28.226 -9.070 27.469 1.00 21.82 C ATOM 62 CG GLU A 9 27.887 -9.556 26.086 1.00 25.32 C ATOM 63 CD GLU A 9 26.903 -10.700 26.090 1.00 28.96 C ATOM 64 OE1 GLU A 9 26.392 -11.030 27.200 1.00 30.74 O ATOM 65 OE2 GLU A 9 26.615 -11.229 24.972 1.00 30.12 O ATOM 66 N ARG A 10 30.917 -8.473 28.993 1.00 17.95 N ATOM 67 CA ARG A 10 31.673 -8.341 30.220 1.00 19.90 C ATOM 68 C ARG A 10 32.330 -6.984 30.357 1.00 17.77 C ATOM 69 O ARG A 10 32.442 -6.435 31.436 1.00 16.80 O ATOM 70 CB ARG A 10 32.775 -9.405 30.326 1.00 22.02 C ATOM 71 CG ARG A 10 33.751 -9.116 31.482 1.00 22.38 C ATOM 72 CD ARG A 10 34.720 -10.246 31.680 1.00 23.71 C ATOM 73 NE ARG A 10 35.692 -10.413 30.601 1.00 24.47 N ATOM 74 CZ ARG A 10 36.796 -9.682 30.479 1.00 24.83 C ATOM 75 NH1 ARG A 10 37.064 -8.712 31.341 1.00 24.27 N ATOM 76 NH2 ARG A 10 37.697 -10.014 29.581 1.00 25.61 N ATOM 77 N GLN A 11 32.830 -6.468 29.260 1.00 18.68 N ATOM 78 CA GLN A 11 33.522 -5.204 29.343 1.00 17.88 C ATOM 79 C GLN A 11 32.690 -3.992 29.200 1.00 15.71 C ATOM 80 O GLN A 11 33.069 -2.930 29.666 1.00 16.52 O ATOM 81 CB GLN A 11 34.528 -5.121 28.236 1.00 21.61 C ATOM 82 CG GLN A 11 35.433 -6.252 28.133 1.00 25.37 C ATOM 83 CD GLN A 11 36.576 -5.890 27.255 1.00 28.40 C ATOM 84 OE1 GLN A 11 37.669 -5.680 27.761 1.00 31.87 O ATOM 85 NE2 GLN A 11 36.325 -5.711 25.937 1.00 28.02 N ATOM 86 N HIS A 12 31.542 -4.131 28.564 1.00 15.50 N ATOM 87 CA HIS A 12 30.747 -2.952 28.270 1.00 15.50 C ATOM 88 C HIS A 12 29.311 -2.890 28.686 1.00 15.55 C ATOM 89 O HIS A 12 28.744 -1.807 28.704 1.00 16.16 O ATOM 90 CB HIS A 12 30.820 -2.704 26.766 1.00 14.22 C ATOM 91 CG HIS A 12 32.209 -2.436 26.291 1.00 13.76 C ATOM 92 ND1 HIS A 12 32.914 -1.315 26.667 1.00 13.51 N ATOM 93 CD2 HIS A 12 33.044 -3.158 25.509 1.00 14.10 C ATOM 94 CE1 HIS A 12 34.123 -1.356 26.139 1.00 14.33 C ATOM 95 NE2 HIS A 12 34.228 -2.464 25.431 1.00 13.36 N ATOM 96 N MET A 13 28.717 -4.029 28.992 1.00 15.24 N ATOM 97 CA MET A 13 27.320 -4.072 29.318 1.00 16.94 C ATOM 98 C MET A 13 27.043 -4.016 30.821 1.00 19.52 C ATOM 99 O MET A 13 27.706 -4.676 31.621 1.00 19.98 O ATOM 100 CB MET A 13 26.662 -5.328 28.701 1.00 18.36 C ATOM 101 CG MET A 13 26.437 -5.326 27.198 1.00 18.03 C ATOM 102 SD MET A 13 25.488 -3.866 26.664 1.00 19.99 S ATOM 103 CE MET A 13 23.918 -4.218 27.427 1.00 18.63 C ATOM 104 N ASP A 14 26.122 -3.132 31.186 1.00 21.64 N ATOM 105 CA ASP A 14 25.676 -2.971 32.549 1.00 22.73 C ATOM 106 C ASP A 14 24.215 -2.456 32.580 1.00 24.28 C ATOM 107 O ASP A 14 23.937 -1.286 32.854 1.00 21.48 O ATOM 108 CB ASP A 14 26.601 -2.075 33.360 1.00 22.71 C ATOM 109 CG ASP A 14 26.137 -1.966 34.778 1.00 22.23 C ATOM 110 OD1 ASP A 14 25.567 -2.960 35.224 1.00 23.23 O ATOM 111 OD2 ASP A 14 26.242 -0.908 35.417 1.00 22.82 O ATOM 112 N SER A 15 23.302 -3.379 32.330 1.00 27.83 N ATOM 113 CA SER A 15 21.872 -3.123 32.281 1.00 32.54 C ATOM 114 C SER A 15 21.194 -2.979 33.674 1.00 37.35 C ATOM 115 O SER A 15 20.115 -2.386 33.793 1.00 39.01 O ATOM 116 CB SER A 15 21.239 -4.275 31.498 1.00 32.81 C ATOM 117 OG SER A 15 22.052 -4.638 30.385 1.00 31.59 O ATOM 118 N SER A 16 21.835 -3.513 34.719 1.00 41.43 N ATOM 119 CA SER A 16 21.328 -3.467 36.097 1.00 44.75 C ATOM 120 C SER A 16 21.161 -2.047 36.684 1.00 46.33 C ATOM 121 O SER A 16 20.563 -1.890 37.750 1.00 48.71 O ATOM 122 CB SER A 16 22.208 -4.347 37.021 1.00 45.65 C ATOM 123 OG SER A 16 22.762 -5.495 36.328 1.00 46.97 O ATOM 124 N THR A 17 21.752 -1.025 36.063 1.00 46.73 N ATOM 125 CA THR A 17 21.575 0.352 36.549 1.00 46.74 C ATOM 126 C THR A 17 21.225 1.183 35.327 1.00 47.08 C ATOM 127 O THR A 17 21.713 0.896 34.226 1.00 46.18 O ATOM 128 CB THR A 17 22.849 0.984 37.217 1.00 46.76 C ATOM 129 OG1 THR A 17 23.877 1.147 36.241 1.00 46.75 O ATOM 130 CG2 THR A 17 23.379 0.109 38.330 1.00 47.50 C ATOM 131 N SER A 18 20.366 2.191 35.512 1.00 47.26 N ATOM 132 CA SER A 18 19.981 3.059 34.409 1.00 47.16 C ATOM 133 C SER A 18 21.026 4.163 34.140 1.00 46.16 C ATOM 134 O SER A 18 21.086 4.715 33.026 1.00 45.62 O ATOM 135 CB SER A 18 18.559 3.635 34.611 1.00 48.11 C ATOM 136 OG SER A 18 18.423 4.488 35.752 1.00 49.93 O ATOM 137 N ALA A 19 21.848 4.460 35.150 1.00 45.68 N ATOM 138 CA ALA A 19 22.902 5.471 35.037 1.00 46.53 C ATOM 139 C ALA A 19 24.111 5.183 35.930 1.00 47.39 C ATOM 140 O ALA A 19 24.249 4.108 36.524 1.00 46.64 O ATOM 141 CB ALA A 19 22.357 6.853 35.342 1.00 46.20 C ATOM 142 N ALA A 20 25.034 6.126 35.949 1.00 49.59 N ATOM 143 CA ALA A 20 26.207 5.973 36.772 1.00 52.49 C ATOM 144 C ALA A 20 25.659 6.272 38.135 1.00 54.45 C ATOM 145 O ALA A 20 25.311 7.420 38.426 1.00 55.96 O ATOM 146 CB ALA A 20 27.254 6.999 36.408 1.00 52.43 C ATOM 147 N SER A 21 25.516 5.231 38.939 1.00 56.40 N ATOM 148 CA SER A 21 24.999 5.383 40.292 1.00 58.03 C ATOM 149 C SER A 21 25.708 6.463 41.197 1.00 57.92 C ATOM 150 O SER A 21 25.073 7.474 41.617 1.00 59.61 O ATOM 151 CB SER A 21 24.923 3.993 40.978 1.00 58.41 C ATOM 152 OG SER A 21 25.780 3.022 40.372 1.00 58.90 O ATOM 153 N SER A 22 27.006 6.275 41.448 1.00 54.99 N ATOM 154 CA SER A 22 27.777 7.185 42.304 1.00 51.72 C ATOM 155 C SER A 22 29.195 7.402 41.778 1.00 49.49 C ATOM 156 O SER A 22 29.601 6.798 40.773 1.00 48.90 O ATOM 157 CB SER A 22 27.843 6.603 43.734 1.00 51.31 C ATOM 158 OG SER A 22 28.336 5.253 43.792 1.00 50.80 O ATOM 159 N SER A 23 29.956 8.244 42.469 1.00 47.03 N ATOM 160 CA SER A 23 31.363 8.486 42.123 1.00 43.58 C ATOM 161 C SER A 23 32.196 7.177 42.240 1.00 40.26 C ATOM 162 O SER A 23 33.236 7.044 41.633 1.00 38.98 O ATOM 163 CB SER A 23 31.939 9.594 43.036 1.00 44.40 C ATOM 164 OG SER A 23 31.575 9.432 44.420 1.00 45.14 O ATOM 165 N ASN A 24 31.680 6.219 43.002 1.00 39.12 N ATOM 166 CA ASN A 24 32.274 4.895 43.269 1.00 37.89 C ATOM 167 C ASN A 24 32.151 3.908 42.138 1.00 33.93 C ATOM 168 O ASN A 24 32.833 2.880 42.132 1.00 32.72 O ATOM 169 CB ASN A 24 31.476 4.211 44.383 1.00 42.49 C ATOM 170 CG ASN A 24 32.002 4.487 45.760 1.00 45.72 C ATOM 171 OD1 ASN A 24 33.205 4.714 45.953 1.00 47.33 O ATOM 172 ND2 ASN A 24 31.111 4.408 46.749 1.00 46.37 N ATOM 173 N TYR A 25 31.109 4.105 41.340 1.00 29.55 N ATOM 174 CA TYR A 25 30.802 3.207 40.257 1.00 27.35 C ATOM 175 C TYR A 25 31.961 2.691 39.410 1.00 26.15 C ATOM 176 O TYR A 25 32.110 1.471 39.248 1.00 26.34 O ATOM 177 CB TYR A 25 29.751 3.816 39.347 1.00 27.35 C ATOM 178 CG TYR A 25 29.397 2.917 38.185 1.00 26.67 C ATOM 179 CD1 TYR A 25 28.507 1.868 38.345 1.00 25.90 C ATOM 180 CD2 TYR A 25 29.950 3.126 36.926 1.00 26.84 C ATOM 181 CE1 TYR A 25 28.167 1.062 37.288 1.00 26.24 C ATOM 182 CE2 TYR A 25 29.620 2.316 35.854 1.00 26.68 C ATOM 183 CZ TYR A 25 28.723 1.293 36.039 1.00 26.23 C ATOM 184 OH TYR A 25 28.336 0.526 34.966 1.00 25.94 O ATOM 185 N CYS A 26 32.770 3.581 38.852 1.00 25.15 N ATOM 186 CA CYS A 26 33.880 3.147 38.006 1.00 25.46 C ATOM 187 C CYS A 26 34.934 2.257 38.679 1.00 26.08 C ATOM 188 O CYS A 26 35.163 1.112 38.236 1.00 23.48 O ATOM 189 CB CYS A 26 34.499 4.331 37.275 1.00 25.22 C ATOM 190 SG CYS A 26 33.429 4.900 35.904 1.00 25.50 S ATOM 191 N ASN A 27 35.492 2.733 39.788 1.00 27.04 N ATOM 192 CA ASN A 27 36.497 1.972 40.539 1.00 29.75 C ATOM 193 C ASN A 27 35.979 0.580 40.830 1.00 31.91 C ATOM 194 O ASN A 27 36.732 -0.403 40.783 1.00 34.21 O ATOM 195 CB ASN A 27 36.798 2.599 41.910 1.00 27.41 C ATOM 196 CG ASN A 27 37.352 3.973 41.814 1.00 26.89 C ATOM 197 OD1 ASN A 27 38.000 4.301 40.837 1.00 30.79 O ATOM 198 ND2 ASN A 27 37.102 4.797 42.809 1.00 24.82 N ATOM 199 N GLN A 28 34.695 0.504 41.170 1.00 33.22 N ATOM 200 CA GLN A 28 34.083 -0.778 41.511 1.00 33.89 C ATOM 201 C GLN A 28 33.864 -1.701 40.316 1.00 30.76 C ATOM 202 O GLN A 28 34.226 -2.889 40.361 1.00 28.66 O ATOM 203 CB GLN A 28 32.779 -0.549 42.319 1.00 38.52 C ATOM 204 CG GLN A 28 33.000 0.231 43.651 1.00 43.49 C ATOM 205 CD GLN A 28 31.712 0.834 44.248 1.00 46.73 C ATOM 206 OE1 GLN A 28 30.835 1.304 43.510 1.00 49.05 O ATOM 207 NE2 GLN A 28 31.618 0.862 45.592 1.00 46.26 N ATOM 208 N MET A 29 33.337 -1.127 39.232 1.00 29.31 N ATOM 209 CA MET A 29 33.029 -1.884 38.014 1.00 27.85 C ATOM 210 C MET A 29 34.256 -2.268 37.222 1.00 24.43 C ATOM 211 O MET A 29 34.316 -3.332 36.657 1.00 22.30 O ATOM 212 CB MET A 29 32.046 -1.110 37.124 1.00 28.67 C ATOM 213 CG MET A 29 30.620 -1.109 37.631 1.00 28.64 C ATOM 214 SD MET A 29 29.865 -2.706 37.514 1.00 30.65 S ATOM 215 CE MET A 29 29.434 -2.770 35.685 1.00 28.52 C ATOM 216 N MET A 30 35.220 -1.375 37.154 1.00 22.70 N ATOM 217 CA MET A 30 36.429 -1.682 36.439 1.00 23.46 C ATOM 218 C MET A 30 37.119 -2.888 37.069 1.00 25.06 C ATOM 219 O MET A 30 37.515 -3.829 36.381 1.00 24.47 O ATOM 220 CB MET A 30 37.328 -0.463 36.425 1.00 22.45 C ATOM 221 CG MET A 30 36.796 0.623 35.473 1.00 23.98 C ATOM 222 SD MET A 30 36.540 -0.006 33.779 1.00 22.08 S ATOM 223 CE MET A 30 38.268 0.270 33.142 1.00 22.06 C ATOM 224 N LYS A 31 37.210 -2.886 38.388 1.00 26.51 N ATOM 225 CA LYS A 31 37.817 -4.002 39.068 1.00 29.99 C ATOM 226 C LYS A 31 36.912 -5.278 38.943 1.00 30.09 C ATOM 227 O LYS A 31 37.369 -6.345 38.516 1.00 29.86 O ATOM 228 CB LYS A 31 38.073 -3.584 40.516 1.00 32.48 C ATOM 229 CG LYS A 31 39.030 -4.494 41.292 1.00 36.37 C ATOM 230 CD LYS A 31 39.343 -3.934 42.708 1.00 38.38 C ATOM 231 CE LYS A 31 40.055 -4.954 43.615 1.00 39.55 C ATOM 232 NZ LYS A 31 40.045 -4.545 45.061 1.00 40.89 N ATOM 233 N SER A 32 35.621 -5.124 39.255 1.00 29.97 N ATOM 234 CA SER A 32 34.579 -6.168 39.196 1.00 29.74 C ATOM 235 C SER A 32 34.581 -6.951 37.881 1.00 29.77 C ATOM 236 O SER A 32 34.356 -8.185 37.859 1.00 29.84 O ATOM 237 CB SER A 32 33.217 -5.468 39.287 1.00 32.06 C ATOM 238 OG SER A 32 32.294 -6.123 40.132 1.00 35.84 O ATOM 239 N ARG A 33 34.746 -6.211 36.782 1.00 28.55 N ATOM 240 CA ARG A 33 34.730 -6.777 35.433 1.00 29.16 C ATOM 241 C ARG A 33 36.068 -7.267 34.961 1.00 31.14 C ATOM 242 O ARG A 33 36.218 -7.661 33.811 1.00 29.16 O ATOM 243 CB ARG A 33 34.153 -5.779 34.427 1.00 28.50 C ATOM 244 CG ARG A 33 32.687 -5.445 34.676 1.00 27.24 C ATOM 245 CD ARG A 33 31.844 -6.713 34.735 1.00 28.89 C ATOM 246 NE ARG A 33 30.441 -6.415 35.017 1.00 30.95 N ATOM 247 CZ ARG A 33 29.567 -6.016 34.094 1.00 31.72 C ATOM 248 NH1 ARG A 33 29.949 -5.883 32.827 1.00 32.55 N ATOM 249 NH2 ARG A 33 28.336 -5.657 34.439 1.00 31.86 N ATOM 250 N ASN A 34 37.017 -7.275 35.894 1.00 34.59 N ATOM 251 CA ASN A 34 38.385 -7.698 35.675 1.00 37.22 C ATOM 252 C ASN A 34 39.085 -6.849 34.650 1.00 37.06 C ATOM 253 O ASN A 34 39.908 -7.346 33.885 1.00 38.21 O ATOM 254 CB ASN A 34 38.482 -9.179 35.307 1.00 41.42 C ATOM 255 CG ASN A 34 38.476 -10.088 36.540 1.00 45.31 C ATOM 256 OD1 ASN A 34 39.287 -9.924 37.476 1.00 48.13 O ATOM 257 ND2 ASN A 34 37.526 -11.016 36.574 1.00 46.22 N ATOM 258 N LEU A 35 38.773 -5.558 34.647 1.00 35.49 N ATOM 259 CA LEU A 35 39.393 -4.652 33.724 1.00 35.19 C ATOM 260 C LEU A 35 40.653 -4.079 34.367 1.00 37.29 C ATOM 261 O LEU A 35 41.444 -3.404 33.715 1.00 37.99 O ATOM 262 CB LEU A 35 38.408 -3.568 33.289 1.00 33.28 C ATOM 263 CG LEU A 35 37.181 -4.172 32.610 1.00 31.86 C ATOM 264 CD1 LEU A 35 36.195 -3.107 32.186 1.00 31.15 C ATOM 265 CD2 LEU A 35 37.663 -4.996 31.450 1.00 31.94 C ATOM 266 N THR A 36 40.872 -4.385 35.632 1.00 39.22 N ATOM 267 CA THR A 36 42.062 -3.892 36.291 1.00 41.91 C ATOM 268 C THR A 36 42.918 -5.075 36.786 1.00 44.29 C ATOM 269 O THR A 36 43.479 -5.020 37.884 1.00 45.49 O ATOM 270 CB THR A 36 41.711 -2.912 37.456 1.00 41.05 C ATOM 271 OG1 THR A 36 40.895 -3.567 38.438 1.00 40.56 O ATOM 272 CG2 THR A 36 40.974 -1.706 36.922 1.00 40.91 C ATOM 273 N LYS A 37 43.052 -6.115 35.949 1.00 45.76 N ATOM 274 CA LYS A 37 43.823 -7.317 36.301 1.00 46.77 C ATOM 275 C LYS A 37 45.243 -7.454 35.751 1.00 45.79 C ATOM 276 O LYS A 37 46.051 -8.194 36.308 1.00 46.10 O ATOM 277 CB LYS A 37 43.071 -8.591 35.906 1.00 49.28 C ATOM 278 CG LYS A 37 43.813 -9.838 36.375 1.00 52.11 C ATOM 279 CD LYS A 37 43.190 -11.141 35.913 1.00 54.77 C ATOM 280 CE LYS A 37 43.767 -12.299 36.744 1.00 55.99 C ATOM 281 NZ LYS A 37 43.182 -13.635 36.402 1.00 57.61 N ATOM 282 N ASP A 38 45.496 -6.897 34.580 1.00 43.30 N ATOM 283 CA ASP A 38 46.817 -7.004 34.015 1.00 42.44 C ATOM 284 C ASP A 38 47.466 -5.648 33.967 1.00 40.91 C ATOM 285 O ASP A 38 48.672 -5.511 33.769 1.00 40.68 O ATOM 286 CB ASP A 38 46.738 -7.650 32.626 1.00 43.86 C ATOM 287 CG ASP A 38 46.538 -9.181 32.697 1.00 45.96 C ATOM 288 OD1 ASP A 38 46.317 -9.709 33.824 1.00 48.13 O ATOM 289 OD2 ASP A 38 46.624 -9.867 31.643 1.00 45.68 O ATOM 290 N ARG A 39 46.651 -4.640 34.195 1.00 38.55 N ATOM 291 CA ARG A 39 47.100 -3.267 34.181 1.00 37.58 C ATOM 292 C ARG A 39 45.839 -2.466 34.400 1.00 35.42 C ATOM 293 O ARG A 39 44.765 -3.042 34.609 1.00 35.83 O ATOM 294 CB ARG A 39 47.686 -2.910 32.815 1.00 39.11 C ATOM 295 CG ARG A 39 46.717 -3.163 31.689 1.00 41.37 C ATOM 296 CD ARG A 39 47.316 -2.958 30.294 1.00 42.96 C ATOM 297 NE ARG A 39 47.328 -1.546 29.923 1.00 44.55 N ATOM 298 CZ ARG A 39 46.477 -0.936 29.087 1.00 45.72 C ATOM 299 NH1 ARG A 39 45.482 -1.589 28.462 1.00 45.06 N ATOM 300 NH2 ARG A 39 46.632 0.370 28.882 1.00 46.58 N ATOM 301 N CYS A 40 45.963 -1.149 34.411 1.00 32.52 N ATOM 302 CA CYS A 40 44.788 -0.312 34.548 1.00 29.79 C ATOM 303 C CYS A 40 44.322 0.099 33.120 1.00 28.10 C ATOM 304 O CYS A 40 44.979 0.913 32.424 1.00 27.86 O ATOM 305 CB CYS A 40 45.105 0.938 35.360 1.00 29.03 C ATOM 306 SG CYS A 40 45.818 0.715 37.012 1.00 26.55 S ATOM 307 N LYS A 41 43.212 -0.481 32.669 1.00 25.30 N ATOM 308 CA LYS A 41 42.704 -0.133 31.362 1.00 21.26 C ATOM 309 C LYS A 41 42.405 1.288 31.567 1.00 19.69 C ATOM 310 O LYS A 41 41.664 1.647 32.463 1.00 20.47 O ATOM 311 CB LYS A 41 41.454 -0.881 31.046 1.00 21.78 C ATOM 312 CG LYS A 41 40.938 -0.498 29.721 1.00 22.85 C ATOM 313 CD LYS A 41 39.808 -1.353 29.321 1.00 24.56 C ATOM 314 CE LYS A 41 39.488 -1.021 27.892 1.00 27.18 C ATOM 315 NZ LYS A 41 38.356 -1.829 27.355 1.00 30.81 N ATOM 316 N PRO A 42 43.068 2.131 30.814 1.00 20.11 N ATOM 317 CA PRO A 42 42.991 3.595 30.801 1.00 22.01 C ATOM 318 C PRO A 42 41.586 4.208 30.734 1.00 23.52 C ATOM 319 O PRO A 42 41.296 5.222 31.370 1.00 22.60 O ATOM 320 CB PRO A 42 43.773 3.955 29.545 1.00 20.79 C ATOM 321 CG PRO A 42 44.584 2.761 29.285 1.00 21.28 C ATOM 322 CD PRO A 42 43.712 1.645 29.594 1.00 20.02 C ATOM 323 N VAL A 43 40.759 3.659 29.850 1.00 25.86 N ATOM 324 CA VAL A 43 39.391 4.140 29.662 1.00 25.31 C ATOM 325 C VAL A 43 38.476 2.989 29.237 1.00 24.37 C ATOM 326 O VAL A 43 38.932 2.035 28.590 1.00 25.17 O ATOM 327 CB VAL A 43 39.344 5.285 28.633 1.00 25.50 C ATOM 328 CG1 VAL A 43 39.305 4.735 27.208 1.00 24.05 C ATOM 329 CG2 VAL A 43 38.163 6.194 28.937 1.00 25.81 C ATOM 330 N ASN A 44 37.227 3.025 29.712 1.00 22.50 N ATOM 331 CA ASN A 44 36.214 2.010 29.387 1.00 19.73 C ATOM 332 C ASN A 44 34.809 2.650 29.490 1.00 19.43 C ATOM 333 O ASN A 44 34.595 3.543 30.289 1.00 20.09 O ATOM 334 CB ASN A 44 36.334 0.818 30.341 1.00 17.41 C ATOM 335 CG ASN A 44 35.498 -0.356 29.920 1.00 17.02 C ATOM 336 OD1 ASN A 44 35.822 -0.998 28.962 1.00 19.35 O ATOM 337 ND2 ASN A 44 34.461 -0.684 30.665 1.00 16.56 N ATOM 338 N THR A 45 33.883 2.249 28.627 1.00 18.55 N ATOM 339 CA THR A 45 32.516 2.760 28.646 1.00 15.17 C ATOM 340 C THR A 45 31.519 1.635 28.966 1.00 14.57 C ATOM 341 O THR A 45 31.668 0.522 28.477 1.00 13.99 O ATOM 342 CB THR A 45 32.185 3.336 27.289 1.00 14.43 C ATOM 343 OG1 THR A 45 33.035 4.463 27.053 1.00 13.09 O ATOM 344 CG2 THR A 45 30.695 3.785 27.252 1.00 13.99 C ATOM 345 N PHE A 46 30.535 1.900 29.822 1.00 15.75 N ATOM 346 CA PHE A 46 29.522 0.903 30.164 1.00 16.61 C ATOM 347 C PHE A 46 28.178 1.416 29.623 1.00 17.18 C ATOM 348 O PHE A 46 27.907 2.599 29.727 1.00 16.41 O ATOM 349 CB PHE A 46 29.445 0.708 31.670 1.00 16.15 C ATOM 350 CG PHE A 46 30.533 -0.178 32.209 1.00 17.95 C ATOM 351 CD1 PHE A 46 30.465 -1.565 32.052 1.00 17.68 C ATOM 352 CD2 PHE A 46 31.629 0.366 32.880 1.00 18.44 C ATOM 353 CE1 PHE A 46 31.454 -2.395 32.549 1.00 17.59 C ATOM 354 CE2 PHE A 46 32.635 -0.470 33.389 1.00 18.51 C ATOM 355 CZ PHE A 46 32.546 -1.852 33.223 1.00 17.59 C ATOM 356 N VAL A 47 27.360 0.531 29.045 1.00 17.24 N ATOM 357 CA VAL A 47 26.067 0.897 28.450 1.00 16.92 C ATOM 358 C VAL A 47 24.984 0.342 29.326 1.00 17.60 C ATOM 359 O VAL A 47 24.975 -0.846 29.623 1.00 19.92 O ATOM 360 CB VAL A 47 25.915 0.326 27.009 1.00 16.42 C ATOM 361 CG1 VAL A 47 24.591 0.746 26.348 1.00 13.70 C ATOM 362 CG2 VAL A 47 27.084 0.814 26.142 1.00 16.96 C ATOM 363 N HIS A 48 24.101 1.214 29.787 1.00 18.58 N ATOM 364 CA HIS A 48 22.992 0.825 30.650 1.00 20.13 C ATOM 365 C HIS A 48 21.772 0.657 29.833 1.00 19.96 C ATOM 366 O HIS A 48 20.881 1.513 29.901 1.00 22.82 O ATOM 367 CB HIS A 48 22.706 1.908 31.693 1.00 19.72 C ATOM 368 CG HIS A 48 23.897 2.245 32.517 1.00 18.93 C ATOM 369 ND1 HIS A 48 24.520 1.316 33.317 1.00 18.63 N ATOM 370 CD2 HIS A 48 24.647 3.372 32.588 1.00 18.77 C ATOM 371 CE1 HIS A 48 25.610 1.848 33.842 1.00 19.90 C ATOM 372 NE2 HIS A 48 25.708 3.095 33.411 1.00 20.15 N ATOM 373 N GLU A 49 21.771 -0.352 28.968 1.00 18.99 N ATOM 374 CA GLU A 49 20.602 -0.628 28.149 1.00 16.98 C ATOM 375 C GLU A 49 20.431 -2.083 28.131 1.00 16.68 C ATOM 376 O GLU A 49 21.258 -2.781 28.674 1.00 19.42 O ATOM 377 CB GLU A 49 20.738 -0.066 26.755 1.00 18.56 C ATOM 378 CG GLU A 49 20.959 1.431 26.758 1.00 18.52 C ATOM 379 CD GLU A 49 19.706 2.264 27.008 1.00 18.77 C ATOM 380 OE1 GLU A 49 18.588 1.717 26.815 1.00 19.64 O ATOM 381 OE2 GLU A 49 19.860 3.472 27.351 1.00 17.39 O ATOM 382 N SER A 50 19.390 -2.575 27.489 1.00 16.10 N ATOM 383 CA SER A 50 19.193 -3.992 27.537 1.00 16.77 C ATOM 384 C SER A 50 20.053 -4.560 26.512 1.00 17.45 C ATOM 385 O SER A 50 20.353 -3.902 25.525 1.00 20.17 O ATOM 386 CB SER A 50 17.720 -4.384 27.281 1.00 18.70 C ATOM 387 OG SER A 50 17.238 -3.930 26.041 1.00 21.17 O ATOM 388 N LEU A 51 20.402 -5.819 26.681 1.00 17.78 N ATOM 389 CA LEU A 51 21.237 -6.472 25.700 1.00 17.77 C ATOM 390 C LEU A 51 20.584 -6.509 24.312 1.00 17.87 C ATOM 391 O LEU A 51 21.288 -6.432 23.335 1.00 20.45 O ATOM 392 CB LEU A 51 21.622 -7.871 26.185 1.00 15.79 C ATOM 393 CG LEU A 51 22.485 -8.686 25.267 1.00 14.02 C ATOM 394 CD1 LEU A 51 23.816 -8.035 25.064 1.00 11.19 C ATOM 395 CD2 LEU A 51 22.593 -10.060 25.892 1.00 15.15 C ATOM 396 N ALA A 52 19.254 -6.628 24.216 1.00 19.56 N ATOM 397 CA ALA A 52 18.536 -6.655 22.912 1.00 17.68 C ATOM 398 C ALA A 52 18.692 -5.329 22.256 1.00 16.27 C ATOM 399 O ALA A 52 18.858 -5.241 21.072 1.00 16.80 O ATOM 400 CB ALA A 52 17.042 -6.937 23.103 1.00 15.85 C ATOM 401 N ASP A 53 18.603 -4.283 23.046 1.00 17.19 N ATOM 402 CA ASP A 53 18.761 -2.943 22.527 1.00 20.28 C ATOM 403 C ASP A 53 20.147 -2.661 21.907 1.00 20.93 C ATOM 404 O ASP A 53 20.296 -2.004 20.862 1.00 20.39 O ATOM 405 CB ASP A 53 18.484 -1.950 23.633 1.00 21.26 C ATOM 406 CG ASP A 53 17.054 -1.565 23.686 1.00 24.02 C ATOM 407 OD1 ASP A 53 16.247 -2.250 23.019 1.00 25.34 O ATOM 408 OD2 ASP A 53 16.735 -0.572 24.363 1.00 24.14 O ATOM 409 N VAL A 54 21.178 -3.111 22.589 1.00 20.72 N ATOM 410 CA VAL A 54 22.494 -2.883 22.078 1.00 19.68 C ATOM 411 C VAL A 54 22.764 -3.765 20.866 1.00 17.89 C ATOM 412 O VAL A 54 23.332 -3.307 19.897 1.00 20.05 O ATOM 413 CB VAL A 54 23.514 -2.985 23.234 1.00 20.29 C ATOM 414 CG1 VAL A 54 24.943 -2.827 22.728 1.00 21.38 C ATOM 415 CG2 VAL A 54 23.199 -1.884 24.247 1.00 19.04 C ATOM 416 N GLN A 55 22.252 -4.983 20.849 1.00 17.72 N ATOM 417 CA GLN A 55 22.485 -5.862 19.712 1.00 16.84 C ATOM 418 C GLN A 55 21.818 -5.328 18.479 1.00 17.67 C ATOM 419 O GLN A 55 22.377 -5.425 17.395 1.00 17.63 O ATOM 420 CB GLN A 55 21.991 -7.264 19.991 1.00 19.72 C ATOM 421 CG GLN A 55 22.853 -8.010 20.981 1.00 21.89 C ATOM 422 CD GLN A 55 22.223 -9.298 21.441 1.00 24.73 C ATOM 423 OE1 GLN A 55 22.908 -10.222 21.888 1.00 25.46 O ATOM 424 NE2 GLN A 55 20.890 -9.384 21.321 1.00 27.79 N ATOM 425 N ALA A 56 20.640 -4.728 18.647 1.00 17.21 N ATOM 426 CA ALA A 56 19.889 -4.112 17.545 1.00 17.00 C ATOM 427 C ALA A 56 20.687 -3.010 16.854 1.00 18.54 C ATOM 428 O ALA A 56 20.341 -2.629 15.723 1.00 17.45 O ATOM 429 CB ALA A 56 18.603 -3.498 18.059 1.00 17.52 C ATOM 430 N VAL A 57 21.761 -2.516 17.510 1.00 17.21 N ATOM 431 CA VAL A 57 22.586 -1.444 16.924 1.00 14.81 C ATOM 432 C VAL A 57 23.361 -1.966 15.686 1.00 14.11 C ATOM 433 O VAL A 57 23.656 -1.209 14.744 1.00 11.89 O ATOM 434 CB VAL A 57 23.525 -0.774 17.973 1.00 14.64 C ATOM 435 CG1 VAL A 57 24.391 0.235 17.311 1.00 15.17 C ATOM 436 CG2 VAL A 57 22.739 -0.105 19.065 1.00 11.68 C ATOM 437 N CYS A 58 23.518 -3.290 15.613 1.00 12.87 N ATOM 438 CA CYS A 58 24.198 -3.869 14.486 1.00 13.24 C ATOM 439 C CYS A 58 23.406 -3.786 13.231 1.00 14.59 C ATOM 440 O CYS A 58 23.944 -4.128 12.209 1.00 16.24 O ATOM 441 CB CYS A 58 24.578 -5.321 14.729 1.00 13.11 C ATOM 442 SG CYS A 58 25.805 -5.520 16.057 1.00 12.10 S ATOM 443 N SER A 59 22.146 -3.352 13.294 1.00 15.58 N ATOM 444 CA SER A 59 21.320 -3.225 12.106 1.00 15.57 C ATOM 445 C SER A 59 20.998 -1.770 11.871 1.00 15.06 C ATOM 446 O SER A 59 20.206 -1.452 10.981 1.00 15.72 O ATOM 447 CB SER A 59 19.994 -4.016 12.250 1.00 19.43 C ATOM 448 OG SER A 59 19.184 -3.557 13.355 1.00 22.72 O ATOM 449 N GLN A 60 21.545 -0.879 12.710 1.00 13.30 N ATOM 450 CA GLN A 60 21.265 0.554 12.584 1.00 9.02 C ATOM 451 C GLN A 60 22.143 1.281 11.616 1.00 12.16 C ATOM 452 O GLN A 60 22.365 0.756 10.534 1.00 14.35 O ATOM 453 CB GLN A 60 21.156 1.205 13.955 1.00 7.30 C ATOM 454 CG GLN A 60 20.101 0.447 14.656 1.00 8.52 C ATOM 455 CD GLN A 60 19.665 1.025 15.932 1.00 9.25 C ATOM 456 OE1 GLN A 60 19.980 2.145 16.225 1.00 12.40 O ATOM 457 NE2 GLN A 60 18.872 0.283 16.682 1.00 10.42 N ATOM 458 N LYS A 61 22.717 2.440 11.978 1.00 14.28 N ATOM 459 CA LYS A 61 23.560 3.197 11.035 1.00 14.30 C ATOM 460 C LYS A 61 25.012 2.779 10.803 1.00 14.03 C ATOM 461 O LYS A 61 25.855 2.960 11.659 1.00 15.46 O ATOM 462 CB LYS A 61 23.544 4.652 11.408 1.00 16.77 C ATOM 463 CG LYS A 61 24.129 5.549 10.352 1.00 18.23 C ATOM 464 CD LYS A 61 24.160 6.879 10.983 1.00 21.92 C ATOM 465 CE LYS A 61 24.377 8.001 10.038 1.00 24.13 C ATOM 466 NZ LYS A 61 24.455 9.195 10.976 1.00 27.70 N ATOM 467 N ASN A 62 25.321 2.316 9.605 1.00 14.33 N ATOM 468 CA ASN A 62 26.675 1.865 9.274 1.00 13.98 C ATOM 469 C ASN A 62 27.615 3.017 9.056 1.00 14.96 C ATOM 470 O ASN A 62 27.319 3.931 8.324 1.00 14.05 O ATOM 471 CB ASN A 62 26.659 0.934 8.073 1.00 14.39 C ATOM 472 CG ASN A 62 28.027 0.415 7.709 1.00 16.68 C ATOM 473 OD1 ASN A 62 28.427 0.523 6.560 1.00 21.14 O ATOM 474 ND2 ASN A 62 28.733 -0.178 8.649 1.00 15.72 N ATOM 475 N VAL A 63 28.668 3.047 9.862 1.00 16.22 N ATOM 476 CA VAL A 63 29.688 4.092 9.803 1.00 15.38 C ATOM 477 C VAL A 63 31.096 3.414 9.825 1.00 15.50 C ATOM 478 O VAL A 63 31.232 2.232 10.144 1.00 16.47 O ATOM 479 CB VAL A 63 29.511 5.115 10.973 1.00 13.56 C ATOM 480 CG1 VAL A 63 28.151 5.771 10.899 1.00 12.17 C ATOM 481 CG2 VAL A 63 29.646 4.416 12.322 1.00 12.18 C ATOM 482 N ALA A 64 32.110 4.161 9.421 1.00 16.11 N ATOM 483 CA ALA A 64 33.497 3.688 9.363 1.00 17.38 C ATOM 484 C ALA A 64 34.062 3.558 10.759 1.00 15.24 C ATOM 485 O ALA A 64 33.885 4.438 11.567 1.00 15.37 O ATOM 486 CB ALA A 64 34.367 4.701 8.532 1.00 15.21 C ATOM 487 N CYS A 65 34.739 2.465 11.062 1.00 15.25 N ATOM 488 CA CYS A 65 35.325 2.340 12.397 1.00 13.79 C ATOM 489 C CYS A 65 36.555 3.188 12.448 1.00 13.63 C ATOM 490 O CYS A 65 37.136 3.531 11.412 1.00 14.29 O ATOM 491 CB CYS A 65 35.754 0.926 12.669 1.00 12.34 C ATOM 492 SG CYS A 65 34.412 -0.272 12.601 1.00 11.85 S ATOM 493 N LYS A 66 36.963 3.522 13.650 1.00 14.09 N ATOM 494 CA LYS A 66 38.149 4.319 13.863 1.00 17.06 C ATOM 495 C LYS A 66 39.369 3.719 13.171 1.00 18.52 C ATOM 496 O LYS A 66 40.320 4.427 12.862 1.00 19.78 O ATOM 497 CB LYS A 66 38.438 4.452 15.363 1.00 18.47 C ATOM 498 CG LYS A 66 37.678 5.538 16.067 1.00 20.61 C ATOM 499 CD LYS A 66 37.840 5.454 17.575 1.00 21.00 C ATOM 500 CE LYS A 66 37.507 6.825 18.135 1.00 23.02 C ATOM 501 NZ LYS A 66 37.314 6.834 19.630 1.00 28.06 N ATOM 502 N ASN A 67 39.355 2.414 12.948 1.00 21.82 N ATOM 503 CA ASN A 67 40.474 1.720 12.303 1.00 22.60 C ATOM 504 C ASN A 67 40.349 1.607 10.770 1.00 22.97 C ATOM 505 O ASN A 67 41.157 0.960 10.112 1.00 25.36 O ATOM 506 CB ASN A 67 40.669 0.338 12.951 1.00 24.75 C ATOM 507 CG ASN A 67 39.550 -0.689 12.580 1.00 27.07 C ATOM 508 OD1 ASN A 67 38.583 -0.373 11.874 1.00 27.50 O ATOM 509 ND2 ASN A 67 39.747 -1.938 12.998 1.00 27.63 N ATOM 510 N GLY A 68 39.299 2.161 10.195 1.00 21.01 N ATOM 511 CA GLY A 68 39.204 2.082 8.773 1.00 18.83 C ATOM 512 C GLY A 68 38.377 0.940 8.334 1.00 19.00 C ATOM 513 O GLY A 68 37.956 0.935 7.191 1.00 20.41 O ATOM 514 N GLN A 69 38.190 -0.067 9.170 1.00 20.02 N ATOM 515 CA GLN A 69 37.327 -1.189 8.769 1.00 20.28 C ATOM 516 C GLN A 69 35.921 -0.634 8.658 1.00 18.55 C ATOM 517 O GLN A 69 35.646 0.420 9.193 1.00 18.11 O ATOM 518 CB GLN A 69 37.357 -2.292 9.806 1.00 23.10 C ATOM 519 CG GLN A 69 38.401 -3.362 9.523 1.00 27.95 C ATOM 520 CD GLN A 69 38.178 -4.604 10.379 1.00 31.86 C ATOM 521 OE1 GLN A 69 38.808 -4.751 11.434 1.00 35.00 O ATOM 522 NE2 GLN A 69 37.241 -5.481 9.966 1.00 32.74 N ATOM 523 N THR A 70 35.017 -1.314 7.982 1.00 17.73 N ATOM 524 CA THR A 70 33.688 -0.761 7.855 1.00 18.10 C ATOM 525 C THR A 70 32.555 -1.372 8.617 1.00 17.47 C ATOM 526 O THR A 70 31.451 -0.876 8.513 1.00 20.38 O ATOM 527 CB THR A 70 33.254 -0.764 6.455 1.00 18.65 C ATOM 528 OG1 THR A 70 33.515 -2.056 5.915 1.00 20.19 O ATOM 529 CG2 THR A 70 33.972 0.297 5.708 1.00 19.41 C ATOM 530 N ASN A 71 32.809 -2.367 9.440 1.00 16.27 N ATOM 531 CA ASN A 71 31.740 -3.018 10.206 1.00 15.53 C ATOM 532 C ASN A 71 31.275 -2.286 11.487 1.00 15.13 C ATOM 533 O ASN A 71 30.978 -2.922 12.497 1.00 16.91 O ATOM 534 CB ASN A 71 32.143 -4.456 10.539 1.00 14.53 C ATOM 535 CG ASN A 71 33.410 -4.509 11.346 1.00 14.81 C ATOM 536 OD1 ASN A 71 34.367 -3.774 11.086 1.00 15.52 O ATOM 537 ND2 ASN A 71 33.421 -5.335 12.352 1.00 15.37 N ATOM 538 N CYS A 72 31.179 -0.954 11.451 1.00 15.39 N ATOM 539 CA CYS A 72 30.722 -0.194 12.643 1.00 14.02 C ATOM 540 C CYS A 72 29.353 0.391 12.376 1.00 13.09 C ATOM 541 O CYS A 72 29.027 0.700 11.235 1.00 11.17 O ATOM 542 CB CYS A 72 31.699 0.907 13.056 1.00 12.65 C ATOM 543 SG CYS A 72 33.065 0.246 14.020 1.00 11.61 S ATOM 544 N TYR A 73 28.559 0.495 13.428 1.00 11.67 N ATOM 545 CA TYR A 73 27.188 0.967 13.326 1.00 12.74 C ATOM 546 C TYR A 73 26.935 1.928 14.445 1.00 14.24 C ATOM 547 O TYR A 73 27.382 1.725 15.583 1.00 13.55 O ATOM 548 CB TYR A 73 26.207 -0.217 13.456 1.00 11.82 C ATOM 549 CG TYR A 73 26.433 -1.286 12.408 1.00 11.00 C ATOM 550 CD1 TYR A 73 27.438 -2.235 12.580 1.00 11.21 C ATOM 551 CD2 TYR A 73 25.785 -1.228 11.175 1.00 11.09 C ATOM 552 CE1 TYR A 73 27.812 -3.076 11.567 1.00 11.54 C ATOM 553 CE2 TYR A 73 26.171 -2.075 10.123 1.00 11.62 C ATOM 554 CZ TYR A 73 27.191 -2.996 10.333 1.00 12.05 C ATOM 555 OH TYR A 73 27.627 -3.829 9.313 1.00 14.84 O ATOM 556 N GLN A 74 26.205 2.982 14.132 1.00 14.11 N ATOM 557 CA GLN A 74 25.888 3.993 15.101 1.00 14.40 C ATOM 558 C GLN A 74 24.424 3.835 15.510 1.00 14.41 C ATOM 559 O GLN A 74 23.580 3.538 14.676 1.00 16.10 O ATOM 560 CB GLN A 74 26.116 5.341 14.444 1.00 14.64 C ATOM 561 CG GLN A 74 26.179 6.440 15.398 1.00 17.03 C ATOM 562 CD GLN A 74 26.354 7.738 14.703 1.00 19.57 C ATOM 563 OE1 GLN A 74 27.359 7.971 14.048 1.00 23.83 O ATOM 564 NE2 GLN A 74 25.365 8.591 14.803 1.00 21.03 N ATOM 565 N SER A 75 24.131 4.005 16.790 1.00 13.87 N ATOM 566 CA SER A 75 22.768 3.913 17.265 1.00 14.45 C ATOM 567 C SER A 75 21.942 5.159 16.889 1.00 15.71 C ATOM 568 O SER A 75 22.433 6.292 17.006 1.00 16.43 O ATOM 569 CB SER A 75 22.733 3.688 18.783 1.00 11.90 C ATOM 570 OG SER A 75 22.996 4.865 19.475 1.00 10.76 O ATOM 571 N TYR A 76 20.714 4.955 16.397 1.00 15.21 N ATOM 572 CA TYR A 76 19.818 6.063 16.045 1.00 13.59 C ATOM 573 C TYR A 76 19.458 6.849 17.256 1.00 14.14 C ATOM 574 O TYR A 76 19.229 8.026 17.163 1.00 16.77 O ATOM 575 CB TYR A 76 18.516 5.548 15.439 1.00 11.94 C ATOM 576 CG TYR A 76 18.778 5.006 14.118 1.00 8.85 C ATOM 577 CD1 TYR A 76 19.454 5.774 13.196 1.00 8.38 C ATOM 578 CD2 TYR A 76 18.446 3.723 13.798 1.00 8.65 C ATOM 579 CE1 TYR A 76 19.811 5.286 11.946 1.00 8.95 C ATOM 580 CE2 TYR A 76 18.793 3.201 12.570 1.00 9.34 C ATOM 581 CZ TYR A 76 19.483 3.995 11.633 1.00 10.71 C ATOM 582 OH TYR A 76 19.857 3.498 10.403 1.00 10.59 O ATOM 583 N SER A 77 19.313 6.189 18.383 1.00 16.96 N ATOM 584 CA SER A 77 18.979 6.871 19.633 1.00 20.58 C ATOM 585 C SER A 77 20.211 7.015 20.513 1.00 19.67 C ATOM 586 O SER A 77 21.210 6.327 20.319 1.00 16.95 O ATOM 587 CB SER A 77 17.960 6.045 20.438 1.00 22.82 C ATOM 588 OG SER A 77 16.645 6.246 19.940 1.00 27.68 O ATOM 589 N THR A 78 20.120 7.940 21.460 1.00 20.86 N ATOM 590 CA THR A 78 21.166 8.142 22.454 1.00 22.60 C ATOM 591 C THR A 78 20.818 7.067 23.516 1.00 21.92 C ATOM 592 O THR A 78 19.658 6.684 23.676 1.00 19.91 O ATOM 593 CB THR A 78 21.102 9.569 23.126 1.00 23.46 C ATOM 594 OG1 THR A 78 19.746 9.880 23.450 1.00 26.37 O ATOM 595 CG2 THR A 78 21.663 10.655 22.225 1.00 22.74 C ATOM 596 N MET A 79 21.844 6.555 24.186 1.00 21.90 N ATOM 597 CA MET A 79 21.701 5.538 25.207 1.00 19.63 C ATOM 598 C MET A 79 22.389 6.095 26.417 1.00 18.74 C ATOM 599 O MET A 79 23.104 7.079 26.316 1.00 18.58 O ATOM 600 CB MET A 79 22.396 4.251 24.768 1.00 19.50 C ATOM 601 CG MET A 79 21.942 3.779 23.431 1.00 20.71 C ATOM 602 SD MET A 79 22.405 2.095 23.119 1.00 23.05 S ATOM 603 CE MET A 79 21.161 1.534 21.918 1.00 22.44 C ATOM 604 N SER A 80 22.096 5.509 27.563 1.00 18.17 N ATOM 605 CA SER A 80 22.697 5.908 28.830 1.00 19.48 C ATOM 606 C SER A 80 24.062 5.248 28.957 1.00 17.10 C ATOM 607 O SER A 80 24.187 4.034 28.969 1.00 17.87 O ATOM 608 CB SER A 80 21.813 5.468 30.004 1.00 18.21 C ATOM 609 OG SER A 80 22.300 6.014 31.200 1.00 19.24 O ATOM 610 N ILE A 81 25.092 6.030 29.095 1.00 17.00 N ATOM 611 CA ILE A 81 26.383 5.410 29.207 1.00 19.50 C ATOM 612 C ILE A 81 27.157 5.999 30.376 1.00 20.87 C ATOM 613 O ILE A 81 26.907 7.122 30.811 1.00 21.64 O ATOM 614 CB ILE A 81 27.221 5.643 27.908 1.00 21.16 C ATOM 615 CG1 ILE A 81 27.443 7.161 27.698 1.00 21.59 C ATOM 616 CG2 ILE A 81 26.549 4.952 26.697 1.00 19.00 C ATOM 617 CD1 ILE A 81 28.518 7.546 26.696 1.00 22.39 C ATOM 618 N THR A 82 28.060 5.205 30.935 1.00 21.15 N ATOM 619 CA THR A 82 28.914 5.689 31.997 1.00 20.64 C ATOM 620 C THR A 82 30.363 5.594 31.482 1.00 21.96 C ATOM 621 O THR A 82 30.846 4.563 30.990 1.00 20.30 O ATOM 622 CB THR A 82 28.760 4.895 33.273 1.00 20.22 C ATOM 623 OG1 THR A 82 27.412 4.989 33.747 1.00 17.43 O ATOM 624 CG2 THR A 82 29.684 5.458 34.323 1.00 20.89 C ATOM 625 N ASP A 83 31.012 6.729 31.466 1.00 24.50 N ATOM 626 CA ASP A 83 32.378 6.753 31.029 1.00 27.51 C ATOM 627 C ASP A 83 33.404 6.690 32.216 1.00 26.82 C ATOM 628 O ASP A 83 33.228 7.355 33.230 1.00 24.82 O ATOM 629 CB ASP A 83 32.555 7.970 30.175 1.00 30.87 C ATOM 630 CG ASP A 83 33.784 7.905 29.423 1.00 34.50 C ATOM 631 OD1 ASP A 83 34.684 8.688 29.776 1.00 37.72 O ATOM 632 OD2 ASP A 83 33.876 7.022 28.536 1.00 36.30 O ATOM 633 N CYS A 84 34.373 5.773 32.136 1.00 27.51 N ATOM 634 CA CYS A 84 35.385 5.588 33.168 1.00 27.11 C ATOM 635 C CYS A 84 36.754 5.902 32.620 1.00 29.30 C ATOM 636 O CYS A 84 37.251 5.213 31.742 1.00 29.53 O ATOM 637 CB CYS A 84 35.363 4.155 33.662 1.00 26.79 C ATOM 638 SG CYS A 84 33.785 3.606 34.398 1.00 26.21 S ATOM 639 N ARG A 85 37.375 6.931 33.169 1.00 32.88 N ATOM 640 CA ARG A 85 38.693 7.391 32.751 1.00 36.66 C ATOM 641 C ARG A 85 39.622 7.347 33.965 1.00 36.39 C ATOM 642 O ARG A 85 39.303 7.847 35.041 1.00 35.57 O ATOM 643 CB ARG A 85 38.597 8.818 32.190 1.00 40.99 C ATOM 644 CG ARG A 85 37.677 8.927 30.948 1.00 47.75 C ATOM 645 CD ARG A 85 37.507 10.372 30.330 1.00 52.55 C ATOM 646 NE ARG A 85 36.677 10.359 29.106 1.00 56.73 N ATOM 647 CZ ARG A 85 37.137 10.095 27.867 1.00 60.21 C ATOM 648 NH1 ARG A 85 38.440 9.841 27.678 1.00 61.98 N ATOM 649 NH2 ARG A 85 36.304 10.026 26.806 1.00 61.26 N ATOM 650 N GLU A 86 40.768 6.705 33.797 1.00 37.67 N ATOM 651 CA GLU A 86 41.774 6.544 34.869 1.00 37.76 C ATOM 652 C GLU A 86 42.357 7.867 35.378 1.00 38.19 C ATOM 653 O GLU A 86 42.801 8.690 34.584 1.00 39.70 O ATOM 654 CB GLU A 86 42.885 5.629 34.354 1.00 36.55 C ATOM 655 CG GLU A 86 44.144 5.639 35.130 1.00 36.25 C ATOM 656 CD GLU A 86 45.086 4.574 34.673 1.00 34.29 C ATOM 657 OE1 GLU A 86 45.514 3.780 35.515 1.00 34.90 O ATOM 658 OE2 GLU A 86 45.412 4.531 33.486 1.00 34.40 O ATOM 659 N THR A 87 42.370 8.074 36.689 1.00 38.05 N ATOM 660 CA THR A 87 42.888 9.323 37.228 1.00 38.86 C ATOM 661 C THR A 87 44.412 9.376 37.266 1.00 40.32 C ATOM 662 O THR A 87 45.104 8.502 36.745 1.00 40.45 O ATOM 663 CB THR A 87 42.377 9.592 38.668 1.00 37.71 C ATOM 664 OG1 THR A 87 42.784 8.528 39.530 1.00 38.06 O ATOM 665 CG2 THR A 87 40.884 9.713 38.714 1.00 36.25 C ATOM 666 N GLY A 88 44.907 10.444 37.889 1.00 42.83 N ATOM 667 CA GLY A 88 46.336 10.658 38.072 1.00 43.91 C ATOM 668 C GLY A 88 46.873 9.863 39.263 1.00 43.94 C ATOM 669 O GLY A 88 47.933 9.255 39.161 1.00 45.32 O ATOM 670 N SER A 89 46.155 9.852 40.383 1.00 42.50 N ATOM 671 CA SER A 89 46.578 9.065 41.549 1.00 43.19 C ATOM 672 C SER A 89 46.488 7.541 41.258 1.00 42.96 C ATOM 673 O SER A 89 46.796 6.693 42.125 1.00 44.22 O ATOM 674 CB SER A 89 45.674 9.374 42.758 1.00 44.57 C ATOM 675 OG SER A 89 44.408 8.699 42.677 1.00 45.18 O ATOM 676 N SER A 90 45.941 7.204 40.090 1.00 40.27 N ATOM 677 CA SER A 90 45.797 5.834 39.691 1.00 37.23 C ATOM 678 C SER A 90 47.178 5.266 39.518 1.00 36.31 C ATOM 679 O SER A 90 47.933 5.767 38.691 1.00 37.31 O ATOM 680 CB SER A 90 45.070 5.768 38.353 1.00 36.87 C ATOM 681 OG SER A 90 44.800 4.423 38.008 1.00 35.19 O ATOM 682 N LYS A 91 47.536 4.277 40.331 1.00 35.18 N ATOM 683 CA LYS A 91 48.828 3.608 40.206 1.00 35.32 C ATOM 684 C LYS A 91 48.548 2.139 40.342 1.00 33.95 C ATOM 685 O LYS A 91 48.025 1.716 41.359 1.00 34.75 O ATOM 686 CB LYS A 91 49.832 4.045 41.292 1.00 36.97 C ATOM 687 CG LYS A 91 50.632 5.297 40.951 1.00 38.42 C ATOM 688 CD LYS A 91 51.371 5.145 39.613 1.00 39.88 C ATOM 689 CE LYS A 91 51.674 6.525 38.949 1.00 41.25 C ATOM 690 NZ LYS A 91 52.203 6.418 37.516 1.00 42.58 N ATOM 691 N TYR A 92 48.843 1.354 39.314 1.00 33.70 N ATOM 692 CA TYR A 92 48.595 -0.091 39.387 1.00 33.47 C ATOM 693 C TYR A 92 49.463 -0.645 40.498 1.00 34.40 C ATOM 694 O TYR A 92 50.621 -0.246 40.638 1.00 33.84 O ATOM 695 CB TYR A 92 48.915 -0.793 38.054 1.00 31.39 C ATOM 696 CG TYR A 92 48.728 -2.316 38.051 1.00 30.19 C ATOM 697 CD1 TYR A 92 47.531 -2.898 37.623 1.00 30.20 C ATOM 698 CD2 TYR A 92 49.788 -3.174 38.360 1.00 29.71 C ATOM 699 CE1 TYR A 92 47.411 -4.287 37.476 1.00 29.01 C ATOM 700 CE2 TYR A 92 49.676 -4.553 38.207 1.00 28.54 C ATOM 701 CZ TYR A 92 48.492 -5.096 37.760 1.00 28.70 C ATOM 702 OH TYR A 92 48.421 -6.437 37.512 1.00 28.20 O ATOM 703 N PRO A 93 48.945 -1.625 41.264 1.00 35.73 N ATOM 704 CA PRO A 93 47.632 -2.273 41.192 1.00 35.67 C ATOM 705 C PRO A 93 46.445 -1.479 41.748 1.00 37.04 C ATOM 706 O PRO A 93 45.349 -2.028 41.857 1.00 36.51 O ATOM 707 CB PRO A 93 47.856 -3.525 42.025 1.00 36.12 C ATOM 708 CG PRO A 93 48.675 -2.971 43.177 1.00 35.63 C ATOM 709 CD PRO A 93 49.719 -2.158 42.409 1.00 35.90 C ATOM 710 N ASN A 94 46.666 -0.234 42.170 1.00 37.63 N ATOM 711 CA ASN A 94 45.577 0.596 42.703 1.00 37.03 C ATOM 712 C ASN A 94 45.069 1.573 41.669 1.00 35.41 C ATOM 713 O ASN A 94 45.311 2.771 41.779 1.00 35.96 O ATOM 714 CB ASN A 94 46.002 1.388 43.935 1.00 38.91 C ATOM 715 CG ASN A 94 46.457 0.505 45.049 1.00 40.69 C ATOM 716 OD1 ASN A 94 47.619 0.564 45.449 1.00 42.71 O ATOM 717 ND2 ASN A 94 45.564 -0.350 45.546 1.00 40.44 N ATOM 718 N CYS A 95 44.307 1.055 40.708 1.00 33.00 N ATOM 719 CA CYS A 95 43.755 1.847 39.626 1.00 29.79 C ATOM 720 C CYS A 95 42.640 2.769 40.131 1.00 28.65 C ATOM 721 O CYS A 95 41.813 2.360 40.930 1.00 28.20 O ATOM 722 CB CYS A 95 43.237 0.880 38.561 1.00 29.29 C ATOM 723 SG CYS A 95 44.431 -0.389 37.994 1.00 27.58 S ATOM 724 N ALA A 96 42.569 3.988 39.624 1.00 28.24 N ATOM 725 CA ALA A 96 41.533 4.915 40.074 1.00 27.62 C ATOM 726 C ALA A 96 40.829 5.467 38.879 1.00 26.93 C ATOM 727 O ALA A 96 41.462 5.717 37.854 1.00 26.06 O ATOM 728 CB ALA A 96 42.140 6.046 40.844 1.00 28.84 C ATOM 729 N TYR A 97 39.519 5.654 38.994 1.00 26.69 N ATOM 730 CA TYR A 97 38.748 6.186 37.873 1.00 27.68 C ATOM 731 C TYR A 97 37.776 7.259 38.279 1.00 27.95 C ATOM 732 O TYR A 97 37.383 7.365 39.432 1.00 28.91 O ATOM 733 CB TYR A 97 37.970 5.088 37.131 1.00 25.98 C ATOM 734 CG TYR A 97 38.829 3.973 36.571 1.00 25.83 C ATOM 735 CD1 TYR A 97 39.160 2.868 37.355 1.00 25.19 C ATOM 736 CD2 TYR A 97 39.355 4.040 35.275 1.00 25.31 C ATOM 737 CE1 TYR A 97 40.003 1.882 36.862 1.00 24.25 C ATOM 738 CE2 TYR A 97 40.184 3.047 34.789 1.00 24.10 C ATOM 739 CZ TYR A 97 40.497 1.989 35.593 1.00 23.68 C ATOM 740 OH TYR A 97 41.318 1.013 35.143 1.00 24.58 O ATOM 741 N LYS A 98 37.507 8.134 37.331 1.00 29.98 N ATOM 742 CA LYS A 98 36.535 9.203 37.491 1.00 32.05 C ATOM 743 C LYS A 98 35.323 8.672 36.691 1.00 31.04 C ATOM 744 O LYS A 98 35.473 8.185 35.568 1.00 31.11 O ATOM 745 CB LYS A 98 37.071 10.499 36.867 1.00 34.31 C ATOM 746 CG LYS A 98 36.005 11.547 36.588 1.00 38.38 C ATOM 747 CD LYS A 98 36.583 12.792 35.923 1.00 41.60 C ATOM 748 CE LYS A 98 37.356 12.493 34.595 1.00 44.43 C ATOM 749 NZ LYS A 98 36.530 12.138 33.361 1.00 45.49 N ATOM 750 N THR A 99 34.184 8.589 37.353 1.00 30.88 N ATOM 751 CA THR A 99 32.944 8.132 36.740 1.00 30.64 C ATOM 752 C THR A 99 32.242 9.279 36.011 1.00 30.68 C ATOM 753 O THR A 99 32.031 10.333 36.551 1.00 30.75 O ATOM 754 CB THR A 99 32.003 7.556 37.822 1.00 30.21 C ATOM 755 OG1 THR A 99 32.531 6.322 38.308 1.00 31.16 O ATOM 756 CG2 THR A 99 30.637 7.286 37.282 1.00 30.52 C ATOM 757 N THR A 100 31.820 9.047 34.788 1.00 32.52 N ATOM 758 CA THR A 100 31.126 10.079 34.052 1.00 32.52 C ATOM 759 C THR A 100 29.940 9.572 33.258 1.00 30.44 C ATOM 760 O THR A 100 30.069 8.844 32.285 1.00 29.27 O ATOM 761 CB THR A 100 32.081 10.808 33.191 1.00 34.39 C ATOM 762 OG1 THR A 100 33.077 11.355 34.045 1.00 36.23 O ATOM 763 CG2 THR A 100 31.373 11.925 32.437 1.00 36.97 C ATOM 764 N GLN A 101 28.772 9.970 33.723 1.00 29.05 N ATOM 765 CA GLN A 101 27.536 9.568 33.116 1.00 29.30 C ATOM 766 C GLN A 101 27.204 10.553 32.028 1.00 27.66 C ATOM 767 O GLN A 101 27.605 11.710 32.119 1.00 28.65 O ATOM 768 CB GLN A 101 26.443 9.565 34.175 1.00 30.97 C ATOM 769 CG GLN A 101 25.040 9.317 33.658 1.00 31.87 C ATOM 770 CD GLN A 101 24.825 7.916 33.127 1.00 32.66 C ATOM 771 OE1 GLN A 101 23.968 7.686 32.259 1.00 33.59 O ATOM 772 NE2 GLN A 101 25.580 6.967 33.653 1.00 32.64 N ATOM 773 N ALA A 102 26.533 10.060 30.987 1.00 25.37 N ATOM 774 CA ALA A 102 26.081 10.849 29.832 1.00 23.72 C ATOM 775 C ALA A 102 25.072 10.039 28.996 1.00 22.41 C ATOM 776 O ALA A 102 24.796 8.866 29.274 1.00 20.24 O ATOM 777 CB ALA A 102 27.254 11.272 28.969 1.00 22.95 C ATOM 778 N ASN A 103 24.500 10.690 27.993 1.00 22.23 N ATOM 779 CA ASN A 103 23.536 10.051 27.110 1.00 23.94 C ATOM 780 C ASN A 103 23.981 10.370 25.727 1.00 23.16 C ATOM 781 O ASN A 103 23.784 11.483 25.283 1.00 24.55 O ATOM 782 CB ASN A 103 22.150 10.656 27.317 1.00 26.27 C ATOM 783 CG ASN A 103 21.324 9.891 28.331 1.00 27.58 C ATOM 784 OD1 ASN A 103 20.560 8.993 27.970 1.00 30.01 O ATOM 785 ND2 ASN A 103 21.467 10.239 29.601 1.00 29.34 N ATOM 786 N LYS A 104 24.561 9.404 25.026 1.00 24.33 N ATOM 787 CA LYS A 104 25.063 9.643 23.671 1.00 24.21 C ATOM 788 C LYS A 104 24.797 8.431 22.819 1.00 22.52 C ATOM 789 O LYS A 104 24.384 7.401 23.334 1.00 21.63 O ATOM 790 CB LYS A 104 26.589 9.885 23.703 1.00 27.71 C ATOM 791 CG LYS A 104 27.078 10.799 24.850 1.00 30.12 C ATOM 792 CD LYS A 104 28.594 10.866 24.937 1.00 31.46 C ATOM 793 CE LYS A 104 29.198 11.969 24.060 1.00 33.69 C ATOM 794 NZ LYS A 104 30.697 11.793 23.889 1.00 35.72 N ATOM 795 N HIS A 105 25.096 8.568 21.526 1.00 21.02 N ATOM 796 CA HIS A 105 24.958 7.534 20.526 1.00 20.17 C ATOM 797 C HIS A 105 26.145 6.674 20.659 1.00 20.89 C ATOM 798 O HIS A 105 27.226 7.171 20.925 1.00 22.42 O ATOM 799 CB HIS A 105 24.991 8.175 19.172 1.00 21.17 C ATOM 800 CG HIS A 105 23.842 9.104 18.956 1.00 23.54 C ATOM 801 ND1 HIS A 105 22.607 8.664 18.521 1.00 23.19 N ATOM 802 CD2 HIS A 105 23.693 10.421 19.231 1.00 24.61 C ATOM 803 CE1 HIS A 105 21.745 9.664 18.547 1.00 22.51 C ATOM 804 NE2 HIS A 105 22.374 10.742 18.973 1.00 24.60 N ATOM 805 N ILE A 106 25.986 5.375 20.514 1.00 20.18 N ATOM 806 CA ILE A 106 27.166 4.508 20.644 1.00 18.86 C ATOM 807 C ILE A 106 27.567 4.003 19.276 1.00 17.91 C ATOM 808 O ILE A 106 26.757 4.024 18.352 1.00 18.34 O ATOM 809 CB ILE A 106 26.949 3.286 21.641 1.00 17.52 C ATOM 810 CG1 ILE A 106 25.938 2.287 21.101 1.00 16.72 C ATOM 811 CG2 ILE A 106 26.519 3.771 22.986 1.00 16.86 C ATOM 812 CD1 ILE A 106 25.791 1.052 21.966 1.00 15.37 C ATOM 813 N ILE A 107 28.836 3.675 19.098 1.00 16.26 N ATOM 814 CA ILE A 107 29.281 3.124 17.822 1.00 16.03 C ATOM 815 C ILE A 107 29.943 1.801 18.194 1.00 15.83 C ATOM 816 O ILE A 107 30.804 1.768 19.065 1.00 16.76 O ATOM 817 CB ILE A 107 30.281 4.056 17.081 1.00 15.70 C ATOM 818 CG1 ILE A 107 29.625 5.375 16.694 1.00 14.08 C ATOM 819 CG2 ILE A 107 30.810 3.389 15.808 1.00 15.29 C ATOM 820 CD1 ILE A 107 30.624 6.388 16.196 1.00 13.36 C ATOM 821 N VAL A 108 29.482 0.705 17.612 1.00 15.38 N ATOM 822 CA VAL A 108 30.050 -0.596 17.908 1.00 16.26 C ATOM 823 C VAL A 108 30.447 -1.336 16.627 1.00 15.98 C ATOM 824 O VAL A 108 29.904 -1.039 15.578 1.00 17.91 O ATOM 825 CB VAL A 108 29.063 -1.483 18.795 1.00 16.06 C ATOM 826 CG1 VAL A 108 28.972 -0.907 20.200 1.00 15.16 C ATOM 827 CG2 VAL A 108 27.652 -1.597 18.140 1.00 17.15 C ATOM 828 N ALA A 109 31.469 -2.197 16.686 1.00 14.17 N ATOM 829 CA ALA A 109 31.867 -3.000 15.515 1.00 13.42 C ATOM 830 C ALA A 109 31.066 -4.280 15.691 1.00 12.26 C ATOM 831 O ALA A 109 31.026 -4.802 16.804 1.00 12.01 O ATOM 832 CB ALA A 109 33.375 -3.354 15.549 1.00 11.71 C ATOM 833 N CYS A 110 30.500 -4.835 14.623 1.00 9.73 N ATOM 834 CA CYS A 110 29.731 -6.056 14.784 1.00 10.64 C ATOM 835 C CYS A 110 30.218 -7.089 13.869 1.00 12.05 C ATOM 836 O CYS A 110 30.654 -6.777 12.804 1.00 12.81 O ATOM 837 CB CYS A 110 28.271 -5.831 14.425 1.00 11.57 C ATOM 838 SG CYS A 110 27.464 -4.576 15.440 1.00 12.17 S ATOM 839 N GLU A 111 30.097 -8.339 14.255 1.00 15.51 N ATOM 840 CA GLU A 111 30.510 -9.413 13.363 1.00 19.63 C ATOM 841 C GLU A 111 29.941 -10.767 13.758 1.00 17.84 C ATOM 842 O GLU A 111 29.402 -10.920 14.834 1.00 18.69 O ATOM 843 CB GLU A 111 32.056 -9.499 13.235 1.00 23.03 C ATOM 844 CG GLU A 111 32.862 -9.169 14.467 1.00 28.69 C ATOM 845 CD GLU A 111 34.389 -9.393 14.307 1.00 31.53 C ATOM 846 OE1 GLU A 111 35.021 -8.829 13.372 1.00 32.71 O ATOM 847 OE2 GLU A 111 34.948 -10.129 15.164 1.00 33.50 O ATOM 848 N GLY A 112 29.919 -11.701 12.830 1.00 16.62 N ATOM 849 CA GLY A 112 29.494 -13.021 13.203 1.00 16.27 C ATOM 850 C GLY A 112 28.134 -13.426 12.773 1.00 18.77 C ATOM 851 O GLY A 112 27.451 -12.730 12.054 1.00 18.36 O ATOM 852 N ASN A 113 27.820 -14.653 13.122 1.00 22.16 N ATOM 853 CA ASN A 113 26.531 -15.214 12.826 1.00 25.42 C ATOM 854 C ASN A 113 25.988 -15.916 14.082 1.00 24.75 C ATOM 855 O ASN A 113 26.350 -17.044 14.393 1.00 25.40 O ATOM 856 CB ASN A 113 26.615 -16.166 11.640 1.00 28.19 C ATOM 857 CG ASN A 113 25.267 -16.747 11.268 1.00 30.84 C ATOM 858 OD1 ASN A 113 24.223 -16.054 11.314 1.00 31.86 O ATOM 859 ND2 ASN A 113 25.267 -18.036 10.914 1.00 32.45 N ATOM 860 N PRO A 114 25.048 -15.280 14.768 1.00 24.09 N ATOM 861 CA PRO A 114 24.466 -13.986 14.460 1.00 23.09 C ATOM 862 C PRO A 114 25.392 -12.793 14.560 1.00 21.65 C ATOM 863 O PRO A 114 26.411 -12.836 15.195 1.00 22.01 O ATOM 864 CB PRO A 114 23.307 -13.891 15.450 1.00 24.52 C ATOM 865 CG PRO A 114 23.741 -14.692 16.593 1.00 24.53 C ATOM 866 CD PRO A 114 24.353 -15.895 15.908 1.00 25.03 C ATOM 867 N TYR A 115 25.011 -11.736 13.852 1.00 20.31 N ATOM 868 CA TYR A 115 25.731 -10.489 13.784 1.00 17.39 C ATOM 869 C TYR A 115 25.484 -9.757 15.095 1.00 18.73 C ATOM 870 O TYR A 115 24.388 -9.187 15.298 1.00 20.12 O ATOM 871 CB TYR A 115 25.199 -9.717 12.593 1.00 12.20 C ATOM 872 CG TYR A 115 26.202 -8.758 12.005 1.00 9.61 C ATOM 873 CD1 TYR A 115 27.434 -9.192 11.547 1.00 8.53 C ATOM 874 CD2 TYR A 115 25.881 -7.423 11.850 1.00 9.93 C ATOM 875 CE1 TYR A 115 28.316 -8.308 10.927 1.00 8.35 C ATOM 876 CE2 TYR A 115 26.721 -6.547 11.250 1.00 10.32 C ATOM 877 CZ TYR A 115 27.952 -6.983 10.783 1.00 10.43 C ATOM 878 OH TYR A 115 28.774 -6.044 10.169 1.00 11.14 O ATOM 879 N VAL A 116 26.484 -9.825 15.991 1.00 18.91 N ATOM 880 CA VAL A 116 26.442 -9.253 17.358 1.00 17.06 C ATOM 881 C VAL A 116 27.578 -8.270 17.635 1.00 16.98 C ATOM 882 O VAL A 116 28.608 -8.303 16.965 1.00 15.98 O ATOM 883 CB VAL A 116 26.556 -10.382 18.431 1.00 17.37 C ATOM 884 CG1 VAL A 116 25.393 -11.369 18.288 1.00 17.52 C ATOM 885 CG2 VAL A 116 27.906 -11.114 18.292 1.00 16.04 C ATOM 886 N PRO A 117 27.418 -7.393 18.645 1.00 17.30 N ATOM 887 CA PRO A 117 28.527 -6.458 18.892 1.00 16.72 C ATOM 888 C PRO A 117 29.748 -7.161 19.503 1.00 16.96 C ATOM 889 O PRO A 117 29.623 -8.085 20.310 1.00 15.71 O ATOM 890 CB PRO A 117 27.903 -5.428 19.852 1.00 15.72 C ATOM 891 CG PRO A 117 26.414 -5.638 19.732 1.00 14.06 C ATOM 892 CD PRO A 117 26.289 -7.122 19.555 1.00 15.79 C ATOM 893 N VAL A 118 30.930 -6.795 19.013 1.00 18.19 N ATOM 894 CA VAL A 118 32.190 -7.378 19.517 1.00 17.82 C ATOM 895 C VAL A 118 33.206 -6.319 19.999 1.00 18.37 C ATOM 896 O VAL A 118 34.111 -6.639 20.735 1.00 20.61 O ATOM 897 CB VAL A 118 32.882 -8.301 18.465 1.00 16.15 C ATOM 898 CG1 VAL A 118 31.957 -9.419 18.089 1.00 16.12 C ATOM 899 CG2 VAL A 118 33.233 -7.547 17.220 1.00 14.46 C ATOM 900 N HIS A 119 32.981 -5.051 19.696 1.00 17.22 N ATOM 901 CA HIS A 119 33.927 -4.009 20.067 1.00 17.25 C ATOM 902 C HIS A 119 33.229 -2.677 20.200 1.00 16.54 C ATOM 903 O HIS A 119 32.374 -2.358 19.393 1.00 20.19 O ATOM 904 CB HIS A 119 35.025 -3.963 18.975 1.00 17.00 C ATOM 905 CG HIS A 119 35.471 -2.582 18.572 1.00 19.91 C ATOM 906 ND1 HIS A 119 36.384 -1.842 19.291 1.00 20.99 N ATOM 907 CD2 HIS A 119 35.209 -1.850 17.463 1.00 21.29 C ATOM 908 CE1 HIS A 119 36.679 -0.731 18.642 1.00 19.92 C ATOM 909 NE2 HIS A 119 35.984 -0.716 17.525 1.00 21.49 N ATOM 910 N PHE A 120 33.518 -1.918 21.240 1.00 15.31 N ATOM 911 CA PHE A 120 32.922 -0.603 21.371 1.00 13.87 C ATOM 912 C PHE A 120 33.865 0.367 20.630 1.00 15.20 C ATOM 913 O PHE A 120 35.050 0.375 20.850 1.00 16.36 O ATOM 914 CB PHE A 120 32.796 -0.265 22.843 1.00 12.40 C ATOM 915 CG PHE A 120 31.970 0.934 23.120 1.00 12.47 C ATOM 916 CD1 PHE A 120 30.643 0.805 23.460 1.00 13.59 C ATOM 917 CD2 PHE A 120 32.510 2.205 23.040 1.00 13.12 C ATOM 918 CE1 PHE A 120 29.859 1.941 23.721 1.00 14.81 C ATOM 919 CE2 PHE A 120 31.729 3.352 23.295 1.00 13.36 C ATOM 920 CZ PHE A 120 30.411 3.211 23.634 1.00 12.15 C ATOM 921 N ASP A 121 33.370 1.176 19.715 1.00 15.60 N ATOM 922 CA ASP A 121 34.274 2.038 19.002 1.00 14.89 C ATOM 923 C ASP A 121 34.290 3.439 19.516 1.00 16.41 C ATOM 924 O ASP A 121 35.345 4.042 19.638 1.00 16.48 O ATOM 925 CB ASP A 121 33.882 2.084 17.543 1.00 15.81 C ATOM 926 CG ASP A 121 35.046 2.309 16.643 1.00 15.49 C ATOM 927 OD1 ASP A 121 36.046 1.602 16.773 1.00 15.17 O ATOM 928 OD2 ASP A 121 34.970 3.197 15.795 1.00 16.01 O ATOM 929 N ALA A 122 33.125 3.986 19.818 1.00 16.83 N ATOM 930 CA ALA A 122 33.093 5.369 20.267 1.00 16.93 C ATOM 931 C ALA A 122 31.696 5.774 20.645 1.00 17.89 C ATOM 932 O ALA A 122 30.789 4.966 20.660 1.00 18.99 O ATOM 933 CB ALA A 122 33.611 6.272 19.120 1.00 16.08 C ATOM 934 N SER A 123 31.507 7.021 21.006 1.00 19.71 N ATOM 935 CA SER A 123 30.172 7.470 21.304 1.00 21.20 C ATOM 936 C SER A 123 30.228 8.920 20.927 1.00 22.02 C ATOM 937 O SER A 123 31.276 9.582 21.072 1.00 23.46 O ATOM 938 CB SER A 123 29.808 7.269 22.766 1.00 21.06 C ATOM 939 OG SER A 123 30.726 7.970 23.550 1.00 24.52 O ATOM 940 N VAL A 124 29.101 9.406 20.446 1.00 22.52 N ATOM 941 CA VAL A 124 29.000 10.751 19.940 1.00 23.69 C ATOM 942 C VAL A 124 27.667 11.315 20.311 1.00 23.63 C ATOM 943 O VAL A 124 26.704 10.555 20.458 1.00 24.44 O ATOM 944 CB VAL A 124 29.089 10.731 18.404 1.00 24.28 C ATOM 945 CG1 VAL A 124 30.497 10.467 17.997 1.00 26.86 C ATOM 946 CG2 VAL A 124 28.263 9.609 17.844 1.00 24.09 C ATOM 947 OXT VAL A 124 27.608 12.533 20.436 1.00 26.93 O TER 948 VAL A 124 ATOM 949 N LYS A 1 21.606 17.225 8.202 1.00 44.44 N ATOM 950 CA LYS A 1 20.916 16.559 7.039 1.00 43.20 C ATOM 951 C LYS A 1 21.180 15.055 6.964 1.00 41.60 C ATOM 952 O LYS A 1 22.335 14.595 7.163 1.00 42.69 O ATOM 953 CB LYS A 1 21.322 17.197 5.702 1.00 43.82 C ATOM 954 N GLU A 2 20.078 14.315 6.768 1.00 36.59 N ATOM 955 CA GLU A 2 20.063 12.868 6.629 1.00 30.79 C ATOM 956 C GLU A 2 19.741 12.713 5.175 1.00 27.90 C ATOM 957 O GLU A 2 18.839 13.364 4.676 1.00 25.39 O ATOM 958 CB GLU A 2 18.924 12.305 7.447 1.00 29.95 C ATOM 959 CG GLU A 2 18.706 10.806 7.270 1.00 29.22 C ATOM 960 CD GLU A 2 17.631 10.272 8.207 1.00 28.72 C ATOM 961 OE1 GLU A 2 16.691 11.043 8.493 1.00 29.04 O ATOM 962 OE2 GLU A 2 17.721 9.099 8.659 1.00 27.75 O ATOM 963 N THR A 3 20.513 11.922 4.464 1.00 26.33 N ATOM 964 CA THR A 3 20.239 11.760 3.048 1.00 23.94 C ATOM 965 C THR A 3 19.056 10.809 2.940 1.00 24.22 C ATOM 966 O THR A 3 18.888 9.953 3.844 1.00 25.14 O ATOM 967 CB THR A 3 21.419 11.155 2.340 1.00 23.52 C ATOM 968 OG1 THR A 3 21.730 9.871 2.917 1.00 21.66 O ATOM 969 CG2 THR A 3 22.587 12.070 2.453 1.00 23.76 C ATOM 970 N ALA A 4 18.296 10.909 1.829 1.00 21.67 N ATOM 971 CA ALA A 4 17.117 10.079 1.575 1.00 18.78 C ATOM 972 C ALA A 4 17.468 8.609 1.625 1.00 16.43 C ATOM 973 O ALA A 4 16.690 7.806 2.108 1.00 18.71 O ATOM 974 CB ALA A 4 16.500 10.422 0.235 1.00 19.28 C ATOM 975 N ALA A 5 18.664 8.270 1.172 1.00 13.20 N ATOM 976 CA ALA A 5 19.131 6.916 1.185 1.00 12.29 C ATOM 977 C ALA A 5 19.274 6.440 2.619 1.00 12.91 C ATOM 978 O ALA A 5 18.864 5.331 2.956 1.00 14.85 O ATOM 979 CB ALA A 5 20.454 6.825 0.449 1.00 10.81 C ATOM 980 N ALA A 6 19.806 7.285 3.492 1.00 13.95 N ATOM 981 CA ALA A 6 19.992 6.901 4.905 1.00 16.46 C ATOM 982 C ALA A 6 18.647 6.849 5.684 1.00 15.81 C ATOM 983 O ALA A 6 18.451 6.074 6.628 1.00 16.86 O ATOM 984 CB ALA A 6 20.980 7.859 5.569 1.00 15.88 C ATOM 985 N LYS A 7 17.738 7.720 5.305 1.00 16.74 N ATOM 986 CA LYS A 7 16.411 7.727 5.905 1.00 19.26 C ATOM 987 C LYS A 7 15.672 6.431 5.475 1.00 18.19 C ATOM 988 O LYS A 7 14.934 5.845 6.269 1.00 16.94 O ATOM 989 CB LYS A 7 15.665 8.982 5.449 1.00 21.46 C ATOM 990 CG LYS A 7 14.258 9.052 5.905 1.00 23.05 C ATOM 991 CD LYS A 7 13.710 10.361 5.521 1.00 25.68 C ATOM 992 CE LYS A 7 12.334 10.486 6.067 1.00 28.89 C ATOM 993 NZ LYS A 7 12.071 11.888 6.529 1.00 32.12 N ATOM 994 N PHE A 8 15.927 5.955 4.245 1.00 16.77 N ATOM 995 CA PHE A 8 15.305 4.734 3.773 1.00 12.89 C ATOM 996 C PHE A 8 15.785 3.606 4.639 1.00 16.07 C ATOM 997 O PHE A 8 15.002 2.690 4.966 1.00 18.17 O ATOM 998 CB PHE A 8 15.678 4.415 2.354 1.00 9.40 C ATOM 999 CG PHE A 8 15.123 3.104 1.897 1.00 9.04 C ATOM 1000 CD1 PHE A 8 13.829 3.007 1.436 1.00 8.93 C ATOM 1001 CD2 PHE A 8 15.864 1.963 1.988 1.00 8.79 C ATOM 1002 CE1 PHE A 8 13.329 1.808 1.084 1.00 9.98 C ATOM 1003 CE2 PHE A 8 15.364 0.761 1.634 1.00 8.21 C ATOM 1004 CZ PHE A 8 14.096 0.672 1.184 1.00 9.28 C ATOM 1005 N GLU A 9 17.094 3.585 4.930 1.00 16.18 N ATOM 1006 CA GLU A 9 17.663 2.562 5.815 1.00 13.92 C ATOM 1007 C GLU A 9 17.230 2.654 7.276 1.00 11.61 C ATOM 1008 O GLU A 9 16.995 1.646 7.928 1.00 12.70 O ATOM 1009 CB GLU A 9 19.155 2.593 5.730 1.00 16.42 C ATOM 1010 CG GLU A 9 19.614 2.036 4.434 1.00 19.90 C ATOM 1011 CD GLU A 9 21.094 1.960 4.351 1.00 22.49 C ATOM 1012 OE1 GLU A 9 21.716 1.265 5.184 1.00 24.77 O ATOM 1013 OE2 GLU A 9 21.631 2.589 3.436 1.00 23.63 O ATOM 1014 N ARG A 10 17.064 3.860 7.771 1.00 9.09 N ATOM 1015 CA ARG A 10 16.633 4.004 9.112 1.00 10.43 C ATOM 1016 C ARG A 10 15.190 3.492 9.314 1.00 13.18 C ATOM 1017 O ARG A 10 14.867 2.783 10.283 1.00 14.33 O ATOM 1018 CB ARG A 10 16.732 5.465 9.537 1.00 10.17 C ATOM 1019 CG ARG A 10 16.007 5.602 10.889 1.00 10.47 C ATOM 1020 CD ARG A 10 16.214 6.890 11.510 1.00 11.05 C ATOM 1021 NE ARG A 10 15.845 7.984 10.628 1.00 13.93 N ATOM 1022 CZ ARG A 10 14.655 8.574 10.630 1.00 15.56 C ATOM 1023 NH1 ARG A 10 13.709 8.156 11.452 1.00 17.29 N ATOM 1024 NH2 ARG A 10 14.435 9.644 9.875 1.00 17.00 N ATOM 1025 N GLN A 11 14.331 3.839 8.367 1.00 13.55 N ATOM 1026 CA GLN A 11 12.941 3.489 8.426 1.00 14.27 C ATOM 1027 C GLN A 11 12.520 2.138 7.894 1.00 14.43 C ATOM 1028 O GLN A 11 11.568 1.582 8.400 1.00 15.80 O ATOM 1029 CB GLN A 11 12.112 4.540 7.703 1.00 15.77 C ATOM 1030 CG GLN A 11 12.104 5.950 8.275 1.00 16.96 C ATOM 1031 CD GLN A 11 11.138 6.878 7.477 1.00 20.30 C ATOM 1032 OE1 GLN A 11 10.460 7.733 8.054 1.00 21.67 O ATOM 1033 NE2 GLN A 11 11.109 6.729 6.142 1.00 21.07 N ATOM 1034 N HIS A 12 13.193 1.590 6.885 1.00 14.95 N ATOM 1035 CA HIS A 12 12.750 0.312 6.308 1.00 14.73 C ATOM 1036 C HIS A 12 13.675 -0.908 6.389 1.00 15.71 C ATOM 1037 O HIS A 12 13.256 -2.007 6.079 1.00 17.01 O ATOM 1038 CB HIS A 12 12.271 0.515 4.836 1.00 12.28 C ATOM 1039 CG HIS A 12 11.319 1.659 4.665 1.00 11.77 C ATOM 1040 ND1 HIS A 12 10.100 1.720 5.314 1.00 12.69 N ATOM 1041 CD2 HIS A 12 11.446 2.836 4.014 1.00 11.62 C ATOM 1042 CE1 HIS A 12 9.523 2.880 5.075 1.00 9.85 C ATOM 1043 NE2 HIS A 12 10.320 3.577 4.284 1.00 12.23 N ATOM 1044 N MET A 13 14.896 -0.764 6.874 1.00 17.48 N ATOM 1045 CA MET A 13 15.781 -1.916 6.879 1.00 18.35 C ATOM 1046 C MET A 13 16.047 -2.484 8.237 1.00 18.25 C ATOM 1047 O MET A 13 16.256 -1.763 9.184 1.00 19.72 O ATOM 1048 CB MET A 13 17.131 -1.580 6.198 1.00 19.13 C ATOM 1049 CG MET A 13 17.093 -1.265 4.691 1.00 18.36 C ATOM 1050 SD MET A 13 16.648 -2.655 3.639 1.00 18.78 S ATOM 1051 CE MET A 13 17.868 -3.881 4.161 1.00 18.99 C ATOM 1052 N ASP A 14 15.915 -3.788 8.346 1.00 20.83 N ATOM 1053 CA ASP A 14 16.235 -4.452 9.568 1.00 23.33 C ATOM 1054 C ASP A 14 16.661 -5.795 9.109 1.00 24.34 C ATOM 1055 O ASP A 14 15.868 -6.704 9.111 1.00 24.83 O ATOM 1056 CB ASP A 14 15.044 -4.590 10.492 1.00 25.09 C ATOM 1057 CG ASP A 14 15.404 -5.374 11.720 1.00 28.67 C ATOM 1058 OD1 ASP A 14 16.093 -4.803 12.577 1.00 30.51 O ATOM 1059 OD2 ASP A 14 15.134 -6.591 11.791 1.00 30.13 O ATOM 1060 N SER A 15 17.906 -5.934 8.700 1.00 28.09 N ATOM 1061 CA SER A 15 18.369 -7.209 8.192 1.00 32.16 C ATOM 1062 C SER A 15 18.653 -8.212 9.275 1.00 36.55 C ATOM 1063 O SER A 15 18.833 -9.412 8.996 1.00 38.43 O ATOM 1064 CB SER A 15 19.629 -7.027 7.388 1.00 31.08 C ATOM 1065 OG SER A 15 19.474 -5.993 6.469 1.00 31.00 O ATOM 1066 N SER A 16 18.707 -7.711 10.503 1.00 40.37 N ATOM 1067 CA SER A 16 18.998 -8.518 11.685 1.00 44.73 C ATOM 1068 C SER A 16 18.186 -9.781 11.836 1.00 45.86 C ATOM 1069 O SER A 16 18.746 -10.874 11.960 1.00 48.74 O ATOM 1070 CB SER A 16 18.863 -7.684 12.980 1.00 46.95 C ATOM 1071 OG SER A 16 17.662 -6.912 13.006 1.00 49.15 O ATOM 1072 N THR A 17 16.877 -9.642 11.915 1.00 45.69 N ATOM 1073 CA THR A 17 16.055 -10.816 12.082 1.00 46.60 C ATOM 1074 C THR A 17 15.558 -11.184 10.701 1.00 46.92 C ATOM 1075 O THR A 17 15.609 -10.363 9.770 1.00 45.25 O ATOM 1076 CB THR A 17 14.891 -10.510 13.045 1.00 47.00 C ATOM 1077 OG1 THR A 17 14.113 -9.425 12.510 1.00 47.50 O ATOM 1078 CG2 THR A 17 15.443 -10.096 14.437 1.00 45.98 C ATOM 1079 N SER A 18 15.148 -12.438 10.549 1.00 49.26 N ATOM 1080 CA SER A 18 14.624 -12.917 9.264 1.00 51.61 C ATOM 1081 C SER A 18 13.074 -12.817 9.117 1.00 51.90 C ATOM 1082 O SER A 18 12.530 -12.989 8.022 1.00 51.62 O ATOM 1083 CB SER A 18 15.109 -14.355 8.996 1.00 52.17 C ATOM 1084 OG SER A 18 14.748 -15.231 10.060 1.00 54.74 O ATOM 1085 N ALA A 19 12.395 -12.507 10.222 1.00 52.67 N ATOM 1086 CA ALA A 19 10.941 -12.395 10.272 1.00 53.41 C ATOM 1087 C ALA A 19 10.568 -11.538 11.483 1.00 54.33 C ATOM 1088 O ALA A 19 11.412 -11.270 12.335 1.00 54.67 O ATOM 1089 CB ALA A 19 10.322 -13.780 10.399 1.00 52.81 C ATOM 1090 N ALA A 20 9.315 -11.099 11.553 1.00 56.04 N ATOM 1091 CA ALA A 20 8.846 -10.274 12.662 1.00 57.67 C ATOM 1092 C ALA A 20 9.076 -11.059 13.961 1.00 59.45 C ATOM 1093 O ALA A 20 8.558 -12.182 14.139 1.00 59.42 O ATOM 1094 CB ALA A 20 7.382 -9.945 12.476 1.00 57.34 C ATOM 1095 N SER A 21 9.877 -10.475 14.852 1.00 60.33 N ATOM 1096 CA SER A 21 10.226 -11.136 16.113 1.00 61.80 C ATOM 1097 C SER A 21 9.050 -11.666 16.995 1.00 61.16 C ATOM 1098 O SER A 21 8.936 -12.881 17.242 1.00 62.18 O ATOM 1099 CB SER A 21 11.197 -10.237 16.920 1.00 62.91 C ATOM 1100 OG SER A 21 12.393 -9.941 16.188 1.00 63.17 O ATOM 1101 N SER A 22 8.148 -10.768 17.384 1.00 58.48 N ATOM 1102 CA SER A 22 7.013 -11.089 18.236 1.00 55.40 C ATOM 1103 C SER A 22 5.922 -10.056 17.924 1.00 53.99 C ATOM 1104 O SER A 22 6.115 -9.213 17.043 1.00 54.17 O ATOM 1105 CB SER A 22 7.439 -11.035 19.728 1.00 55.43 C ATOM 1106 OG SER A 22 8.151 -9.847 20.116 1.00 55.36 O ATOM 1107 N SER A 23 4.807 -10.080 18.658 1.00 51.33 N ATOM 1108 CA SER A 23 3.715 -9.124 18.427 1.00 47.90 C ATOM 1109 C SER A 23 4.133 -7.763 18.915 1.00 43.20 C ATOM 1110 O SER A 23 3.439 -6.770 18.733 1.00 41.56 O ATOM 1111 CB SER A 23 2.464 -9.556 19.172 1.00 50.07 C ATOM 1112 OG SER A 23 2.141 -10.897 18.842 1.00 53.37 O ATOM 1113 N ASN A 24 5.257 -7.764 19.609 1.00 38.69 N ATOM 1114 CA ASN A 24 5.823 -6.560 20.146 1.00 36.10 C ATOM 1115 C ASN A 24 6.871 -5.935 19.228 1.00 32.64 C ATOM 1116 O ASN A 24 7.337 -4.838 19.493 1.00 32.89 O ATOM 1117 CB ASN A 24 6.473 -6.896 21.467 1.00 37.89 C ATOM 1118 CG ASN A 24 5.969 -6.043 22.553 1.00 40.21 C ATOM 1119 OD1 ASN A 24 6.622 -5.084 22.959 1.00 41.88 O ATOM 1120 ND2 ASN A 24 4.759 -6.349 23.022 1.00 41.61 N ATOM 1121 N TYR A 25 7.222 -6.610 18.145 1.00 27.67 N ATOM 1122 CA TYR A 25 8.250 -6.108 17.268 1.00 25.64 C ATOM 1123 C TYR A 25 8.036 -4.656 16.793 1.00 25.00 C ATOM 1124 O TYR A 25 8.889 -3.765 16.968 1.00 21.57 O ATOM 1125 CB TYR A 25 8.394 -7.088 16.113 1.00 26.20 C ATOM 1126 CG TYR A 25 9.380 -6.686 15.049 1.00 26.58 C ATOM 1127 CD1 TYR A 25 10.665 -7.219 15.028 1.00 27.46 C ATOM 1128 CD2 TYR A 25 9.009 -5.810 14.031 1.00 25.43 C ATOM 1129 CE1 TYR A 25 11.554 -6.900 14.008 1.00 27.21 C ATOM 1130 CE2 TYR A 25 9.879 -5.478 13.032 1.00 26.27 C ATOM 1131 CZ TYR A 25 11.144 -6.027 13.018 1.00 27.06 C ATOM 1132 OH TYR A 25 11.975 -5.729 11.975 1.00 27.98 O ATOM 1133 N CYS A 26 6.875 -4.392 16.225 1.00 25.92 N ATOM 1134 CA CYS A 26 6.602 -3.061 15.748 1.00 25.50 C ATOM 1135 C CYS A 26 6.779 -1.989 16.796 1.00 26.90 C ATOM 1136 O CYS A 26 7.486 -1.026 16.547 1.00 29.56 O ATOM 1137 CB CYS A 26 5.230 -3.015 15.162 1.00 23.97 C ATOM 1138 SG CYS A 26 5.304 -3.871 13.594 1.00 21.88 S ATOM 1139 N ASN A 27 6.167 -2.151 17.963 1.00 28.29 N ATOM 1140 CA ASN A 27 6.286 -1.163 19.055 1.00 28.80 C ATOM 1141 C ASN A 27 7.784 -0.921 19.391 1.00 30.33 C ATOM 1142 O ASN A 27 8.216 0.221 19.580 1.00 30.81 O ATOM 1143 CB ASN A 27 5.584 -1.642 20.346 1.00 27.36 C ATOM 1144 CG ASN A 27 4.075 -1.861 20.193 1.00 27.51 C ATOM 1145 OD1 ASN A 27 3.355 -1.005 19.718 1.00 27.73 O ATOM 1146 ND2 ASN A 27 3.595 -2.980 20.691 1.00 26.55 N ATOM 1147 N GLN A 28 8.570 -1.993 19.450 1.00 31.84 N ATOM 1148 CA GLN A 28 9.988 -1.888 19.767 1.00 33.04 C ATOM 1149 C GLN A 28 10.678 -1.115 18.669 1.00 29.20 C ATOM 1150 O GLN A 28 11.273 -0.057 18.914 1.00 27.53 O ATOM 1151 CB GLN A 28 10.580 -3.299 19.919 1.00 39.50 C ATOM 1152 CG GLN A 28 12.041 -3.487 19.436 1.00 47.06 C ATOM 1153 CD GLN A 28 12.554 -4.956 19.550 1.00 51.88 C ATOM 1154 OE1 GLN A 28 11.800 -5.943 19.335 1.00 53.09 O ATOM 1155 NE2 GLN A 28 13.859 -5.097 19.891 1.00 54.78 N ATOM 1156 N MET A 29 10.522 -1.624 17.449 1.00 26.95 N ATOM 1157 CA MET A 29 11.136 -1.038 16.251 1.00 24.54 C ATOM 1158 C MET A 29 10.693 0.346 15.920 1.00 22.08 C ATOM 1159 O MET A 29 11.510 1.154 15.460 1.00 21.24 O ATOM 1160 CB MET A 29 10.885 -1.894 15.016 1.00 23.91 C ATOM 1161 CG MET A 29 11.541 -3.267 15.067 1.00 26.64 C ATOM 1162 SD MET A 29 13.337 -3.198 15.300 1.00 27.38 S ATOM 1163 CE MET A 29 13.791 -2.420 13.696 1.00 24.64 C ATOM 1164 N MET A 30 9.405 0.633 16.119 1.00 19.91 N ATOM 1165 CA MET A 30 8.916 1.959 15.748 1.00 19.71 C ATOM 1166 C MET A 30 9.497 2.968 16.684 1.00 20.45 C ATOM 1167 O MET A 30 9.730 4.116 16.313 1.00 21.91 O ATOM 1168 CB MET A 30 7.396 2.044 15.686 1.00 17.59 C ATOM 1169 CG MET A 30 6.811 1.194 14.596 1.00 17.18 C ATOM 1170 SD MET A 30 7.231 1.773 12.980 1.00 18.37 S ATOM 1171 CE MET A 30 6.311 3.294 12.907 1.00 15.30 C ATOM 1172 N LYS A 31 9.799 2.528 17.891 1.00 20.73 N ATOM 1173 CA LYS A 31 10.410 3.441 18.817 1.00 21.03 C ATOM 1174 C LYS A 31 11.924 3.649 18.552 1.00 19.33 C ATOM 1175 O LYS A 31 12.394 4.776 18.505 1.00 19.42 O ATOM 1176 CB LYS A 31 10.236 2.956 20.220 1.00 22.54 C ATOM 1177 CG LYS A 31 10.763 3.980 21.083 1.00 25.88 C ATOM 1178 CD LYS A 31 11.210 3.432 22.361 1.00 29.38 C ATOM 1179 CE LYS A 31 11.859 4.565 23.151 1.00 32.80 C ATOM 1180 NZ LYS A 31 11.201 5.919 22.898 1.00 33.97 N ATOM 1181 N SER A 32 12.668 2.572 18.322 1.00 19.30 N ATOM 1182 CA SER A 32 14.092 2.695 18.101 1.00 20.65 C ATOM 1183 C SER A 32 14.606 3.307 16.836 1.00 21.81 C ATOM 1184 O SER A 32 15.751 3.770 16.807 1.00 23.30 O ATOM 1185 CB SER A 32 14.791 1.385 18.332 1.00 22.10 C ATOM 1186 OG SER A 32 14.137 0.341 17.667 1.00 24.46 O ATOM 1187 N ARG A 33 13.792 3.326 15.782 1.00 20.90 N ATOM 1188 CA ARG A 33 14.226 3.939 14.539 1.00 18.13 C ATOM 1189 C ARG A 33 13.766 5.356 14.521 1.00 18.48 C ATOM 1190 O ARG A 33 13.801 5.984 13.490 1.00 19.87 O ATOM 1191 CB ARG A 33 13.657 3.201 13.338 1.00 17.32 C ATOM 1192 CG ARG A 33 14.110 1.771 13.215 1.00 17.03 C ATOM 1193 CD ARG A 33 15.633 1.719 13.303 1.00 17.06 C ATOM 1194 NE ARG A 33 16.109 0.358 13.142 1.00 15.91 N ATOM 1195 CZ ARG A 33 16.288 -0.231 11.971 1.00 15.38 C ATOM 1196 NH1 ARG A 33 16.035 0.419 10.844 1.00 14.91 N ATOM 1197 NH2 ARG A 33 16.654 -1.493 11.932 1.00 15.37 N ATOM 1198 N ASN A 34 13.293 5.836 15.665 1.00 20.87 N ATOM 1199 CA ASN A 34 12.785 7.215 15.876 1.00 22.89 C ATOM 1200 C ASN A 34 11.469 7.561 15.167 1.00 23.32 C ATOM 1201 O ASN A 34 11.141 8.737 14.919 1.00 23.34 O ATOM 1202 CB ASN A 34 13.854 8.275 15.546 1.00 23.22 C ATOM 1203 CG ASN A 34 15.041 8.227 16.467 1.00 22.79 C ATOM 1204 OD1 ASN A 34 14.952 7.765 17.595 1.00 22.93 O ATOM 1205 ND2 ASN A 34 16.179 8.650 15.959 1.00 24.46 N ATOM 1206 N LEU A 35 10.693 6.534 14.866 1.00 25.15 N ATOM 1207 CA LEU A 35 9.427 6.738 14.195 1.00 26.99 C ATOM 1208 C LEU A 35 8.259 7.087 15.162 1.00 29.38 C ATOM 1209 O LEU A 35 7.140 7.275 14.708 1.00 29.78 O ATOM 1210 CB LEU A 35 9.099 5.541 13.285 1.00 25.29 C ATOM 1211 CG LEU A 35 10.142 5.165 12.227 1.00 24.91 C ATOM 1212 CD1 LEU A 35 9.669 4.010 11.431 1.00 23.60 C ATOM 1213 CD2 LEU A 35 10.408 6.352 11.317 1.00 26.04 C ATOM 1214 N THR A 36 8.516 7.212 16.468 1.00 31.90 N ATOM 1215 CA THR A 36 7.465 7.585 17.427 1.00 34.26 C ATOM 1216 C THR A 36 7.869 8.851 18.171 1.00 35.95 C ATOM 1217 O THR A 36 7.208 9.267 19.113 1.00 35.77 O ATOM 1218 CB THR A 36 7.211 6.499 18.472 1.00 34.00 C ATOM 1219 OG1 THR A 36 8.327 6.411 19.363 1.00 35.76 O ATOM 1220 CG2 THR A 36 6.990 5.168 17.823 1.00 32.85 C ATOM 1221 N LYS A 37 8.947 9.467 17.692 1.00 39.64 N ATOM 1222 CA LYS A 37 9.536 10.666 18.262 1.00 42.80 C ATOM 1223 C LYS A 37 8.596 11.861 18.317 1.00 44.49 C ATOM 1224 O LYS A 37 8.299 12.359 19.385 1.00 46.76 O ATOM 1225 CB LYS A 37 10.798 11.020 17.461 1.00 43.68 C ATOM 1226 CG LYS A 37 11.798 11.937 18.142 1.00 45.14 C ATOM 1227 CD LYS A 37 11.270 13.369 18.360 1.00 47.72 C ATOM 1228 CE LYS A 37 10.851 14.118 17.054 1.00 48.65 C ATOM 1229 NZ LYS A 37 10.011 15.363 17.337 1.00 48.61 N ATOM 1230 N ASP A 38 8.215 12.399 17.173 1.00 45.78 N ATOM 1231 CA ASP A 38 7.331 13.569 17.148 1.00 47.11 C ATOM 1232 C ASP A 38 5.849 13.212 17.154 1.00 45.33 C ATOM 1233 O ASP A 38 5.013 13.985 17.619 1.00 46.05 O ATOM 1234 CB ASP A 38 7.666 14.495 15.954 1.00 51.21 C ATOM 1235 CG ASP A 38 7.806 13.738 14.597 1.00 54.82 C ATOM 1236 OD1 ASP A 38 8.417 12.620 14.544 1.00 55.95 O ATOM 1237 OD2 ASP A 38 7.326 14.301 13.567 1.00 56.17 O ATOM 1238 N ARG A 39 5.529 12.038 16.625 1.00 42.40 N ATOM 1239 CA ARG A 39 4.167 11.555 16.559 1.00 38.80 C ATOM 1240 C ARG A 39 4.329 10.116 16.250 1.00 35.22 C ATOM 1241 O ARG A 39 5.396 9.698 15.864 1.00 35.22 O ATOM 1242 CB ARG A 39 3.447 12.205 15.386 1.00 41.26 C ATOM 1243 CG ARG A 39 4.091 11.921 14.062 1.00 43.28 C ATOM 1244 CD ARG A 39 3.563 12.871 13.015 1.00 46.66 C ATOM 1245 NE ARG A 39 2.514 12.290 12.163 1.00 50.12 N ATOM 1246 CZ ARG A 39 2.725 11.602 11.028 1.00 51.84 C ATOM 1247 NH1 ARG A 39 3.962 11.369 10.557 1.00 52.74 N ATOM 1248 NH2 ARG A 39 1.687 11.139 10.349 1.00 52.09 N ATOM 1249 N CYS A 40 3.262 9.360 16.391 1.00 32.54 N ATOM 1250 CA CYS A 40 3.300 7.954 16.049 1.00 30.25 C ATOM 1251 C CYS A 40 3.127 7.935 14.552 1.00 28.99 C ATOM 1252 O CYS A 40 2.158 8.492 14.046 1.00 29.38 O ATOM 1253 CB CYS A 40 2.094 7.237 16.605 1.00 29.90 C ATOM 1254 SG CYS A 40 1.808 7.564 18.348 1.00 30.21 S ATOM 1255 N LYS A 41 4.098 7.410 13.824 1.00 26.68 N ATOM 1256 CA LYS A 41 3.947 7.301 12.376 1.00 23.09 C ATOM 1257 C LYS A 41 2.928 6.148 12.273 1.00 20.95 C ATOM 1258 O LYS A 41 3.144 5.056 12.870 1.00 21.00 O ATOM 1259 CB LYS A 41 5.282 6.926 11.743 1.00 23.27 C ATOM 1260 CG LYS A 41 5.404 7.190 10.296 1.00 22.48 C ATOM 1261 CD LYS A 41 6.549 6.361 9.786 1.00 24.58 C ATOM 1262 CE LYS A 41 6.810 6.654 8.333 1.00 25.41 C ATOM 1263 NZ LYS A 41 7.225 5.459 7.523 1.00 27.10 N ATOM 1264 N PRO A 42 1.821 6.357 11.497 1.00 18.83 N ATOM 1265 CA PRO A 42 0.737 5.392 11.298 1.00 15.26 C ATOM 1266 C PRO A 42 1.069 4.046 10.752 1.00 14.40 C ATOM 1267 O PRO A 42 0.711 3.052 11.337 1.00 14.50 O ATOM 1268 CB PRO A 42 -0.226 6.140 10.393 1.00 14.59 C ATOM 1269 CG PRO A 42 0.096 7.603 10.676 1.00 16.27 C ATOM 1270 CD PRO A 42 1.567 7.577 10.698 1.00 16.36 C ATOM 1271 N VAL A 43 1.732 3.998 9.618 1.00 15.14 N ATOM 1272 CA VAL A 43 2.054 2.737 8.993 1.00 16.53 C ATOM 1273 C VAL A 43 3.545 2.758 8.664 1.00 17.03 C ATOM 1274 O VAL A 43 4.079 3.813 8.356 1.00 17.84 O ATOM 1275 CB VAL A 43 1.324 2.624 7.616 1.00 18.29 C ATOM 1276 CG1 VAL A 43 1.422 1.237 7.058 1.00 18.46 C ATOM 1277 CG2 VAL A 43 -0.117 3.040 7.710 1.00 19.40 C ATOM 1278 N ASN A 44 4.207 1.606 8.707 1.00 17.21 N ATOM 1279 CA ASN A 44 5.632 1.512 8.318 1.00 16.78 C ATOM 1280 C ASN A 44 5.997 0.092 8.006 1.00 15.96 C ATOM 1281 O ASN A 44 5.618 -0.799 8.737 1.00 16.99 O ATOM 1282 CB ASN A 44 6.584 2.009 9.410 1.00 17.36 C ATOM 1283 CG ASN A 44 8.015 2.186 8.900 1.00 14.66 C ATOM 1284 OD1 ASN A 44 8.281 3.082 8.144 1.00 14.66 O ATOM 1285 ND2 ASN A 44 8.905 1.308 9.295 1.00 13.31 N ATOM 1286 N THR A 45 6.732 -0.129 6.929 1.00 14.60 N ATOM 1287 CA THR A 45 7.137 -1.484 6.587 1.00 13.90 C ATOM 1288 C THR A 45 8.609 -1.660 6.770 1.00 12.29 C ATOM 1289 O THR A 45 9.362 -0.850 6.257 1.00 12.08 O ATOM 1290 CB THR A 45 6.884 -1.799 5.124 1.00 14.28 C ATOM 1291 OG1 THR A 45 5.503 -1.587 4.819 1.00 15.74 O ATOM 1292 CG2 THR A 45 7.268 -3.243 4.833 1.00 13.44 C ATOM 1293 N PHE A 46 8.997 -2.789 7.359 1.00 12.06 N ATOM 1294 CA PHE A 46 10.390 -3.136 7.601 1.00 12.04 C ATOM 1295 C PHE A 46 10.735 -4.297 6.701 1.00 12.82 C ATOM 1296 O PHE A 46 9.925 -5.198 6.577 1.00 14.27 O ATOM 1297 CB PHE A 46 10.612 -3.530 9.067 1.00 10.96 C ATOM 1298 CG PHE A 46 10.690 -2.352 9.992 1.00 10.89 C ATOM 1299 CD1 PHE A 46 11.750 -1.480 9.923 1.00 10.39 C ATOM 1300 CD2 PHE A 46 9.669 -2.073 10.886 1.00 10.84 C ATOM 1301 CE1 PHE A 46 11.800 -0.355 10.707 1.00 10.11 C ATOM 1302 CE2 PHE A 46 9.706 -0.938 11.684 1.00 8.53 C ATOM 1303 CZ PHE A 46 10.754 -0.087 11.598 1.00 10.39 C ATOM 1304 N VAL A 47 11.933 -4.302 6.109 1.00 11.37 N ATOM 1305 CA VAL A 47 12.353 -5.353 5.204 1.00 12.00 C ATOM 1306 C VAL A 47 13.475 -6.130 5.896 1.00 13.75 C ATOM 1307 O VAL A 47 14.397 -5.508 6.411 1.00 15.88 O ATOM 1308 CB VAL A 47 12.859 -4.720 3.862 1.00 12.22 C ATOM 1309 CG1 VAL A 47 13.313 -5.785 2.881 1.00 11.77 C ATOM 1310 CG2 VAL A 47 11.768 -3.859 3.242 1.00 11.21 C ATOM 1311 N HIS A 48 13.384 -7.464 5.940 1.00 15.09 N ATOM 1312 CA HIS A 48 14.394 -8.331 6.598 1.00 16.46 C ATOM 1313 C HIS A 48 15.240 -9.010 5.599 1.00 17.94 C ATOM 1314 O HIS A 48 15.299 -10.215 5.611 1.00 21.50 O ATOM 1315 CB HIS A 48 13.779 -9.466 7.450 1.00 16.00 C ATOM 1316 CG HIS A 48 12.762 -8.991 8.421 1.00 16.65 C ATOM 1317 ND1 HIS A 48 13.052 -8.037 9.369 1.00 17.63 N ATOM 1318 CD2 HIS A 48 11.428 -9.183 8.472 1.00 16.89 C ATOM 1319 CE1 HIS A 48 11.932 -7.642 9.940 1.00 18.32 C ATOM 1320 NE2 HIS A 48 10.932 -8.323 9.415 1.00 17.05 N ATOM 1321 N GLU A 49 15.808 -8.253 4.672 1.00 20.43 N ATOM 1322 CA GLU A 49 16.668 -8.789 3.634 1.00 20.12 C ATOM 1323 C GLU A 49 18.003 -8.081 3.790 1.00 20.66 C ATOM 1324 O GLU A 49 18.096 -7.050 4.459 1.00 21.43 O ATOM 1325 CB GLU A 49 16.104 -8.496 2.229 1.00 21.35 C ATOM 1326 CG GLU A 49 14.854 -9.210 1.887 1.00 23.92 C ATOM 1327 CD GLU A 49 14.928 -10.727 2.121 1.00 27.00 C ATOM 1328 OE1 GLU A 49 16.008 -11.320 1.972 1.00 29.33 O ATOM 1329 OE2 GLU A 49 13.894 -11.359 2.430 1.00 28.27 O ATOM 1330 N SER A 50 19.037 -8.629 3.177 1.00 19.97 N ATOM 1331 CA SER A 50 20.333 -8.006 3.245 1.00 18.75 C ATOM 1332 C SER A 50 20.214 -6.737 2.413 1.00 15.54 C ATOM 1333 O SER A 50 19.435 -6.677 1.482 1.00 16.88 O ATOM 1334 CB SER A 50 21.379 -8.962 2.680 1.00 18.44 C ATOM 1335 OG SER A 50 21.201 -9.139 1.295 1.00 19.97 O ATOM 1336 N LEU A 51 20.961 -5.713 2.767 1.00 13.34 N ATOM 1337 CA LEU A 51 20.955 -4.449 2.069 1.00 13.08 C ATOM 1338 C LEU A 51 21.270 -4.626 0.612 1.00 13.89 C ATOM 1339 O LEU A 51 20.719 -3.915 -0.214 1.00 17.01 O ATOM 1340 CB LEU A 51 21.974 -3.518 2.694 1.00 13.87 C ATOM 1341 CG LEU A 51 22.054 -2.121 2.105 1.00 16.83 C ATOM 1342 CD1 LEU A 51 20.770 -1.404 2.368 1.00 17.43 C ATOM 1343 CD2 LEU A 51 23.207 -1.355 2.753 1.00 19.18 C ATOM 1344 N ALA A 52 22.195 -5.521 0.295 1.00 12.17 N ATOM 1345 CA ALA A 52 22.544 -5.784 -1.068 1.00 11.25 C ATOM 1346 C ALA A 52 21.375 -6.367 -1.863 1.00 11.25 C ATOM 1347 O ALA A 52 21.253 -6.073 -3.050 1.00 10.03 O ATOM 1348 CB ALA A 52 23.748 -6.711 -1.131 1.00 9.82 C ATOM 1349 N ASP A 53 20.543 -7.216 -1.255 1.00 14.34 N ATOM 1350 CA ASP A 53 19.394 -7.799 -1.984 1.00 16.20 C ATOM 1351 C ASP A 53 18.373 -6.702 -2.298 1.00 16.13 C ATOM 1352 O ASP A 53 17.830 -6.618 -3.369 1.00 16.90 O ATOM 1353 CB ASP A 53 18.717 -8.911 -1.176 1.00 20.25 C ATOM 1354 CG ASP A 53 19.454 -10.261 -1.292 1.00 22.24 C ATOM 1355 OD1 ASP A 53 20.167 -10.468 -2.294 1.00 25.18 O ATOM 1356 OD2 ASP A 53 19.281 -11.139 -0.390 1.00 22.64 O ATOM 1357 N VAL A 54 18.215 -5.790 -1.360 1.00 16.06 N ATOM 1358 CA VAL A 54 17.318 -4.680 -1.523 1.00 15.69 C ATOM 1359 C VAL A 54 17.823 -3.688 -2.576 1.00 15.95 C ATOM 1360 O VAL A 54 17.093 -3.348 -3.502 1.00 17.52 O ATOM 1361 CB VAL A 54 17.090 -4.070 -0.179 1.00 15.97 C ATOM 1362 CG1 VAL A 54 16.286 -2.818 -0.308 1.00 16.87 C ATOM 1363 CG2 VAL A 54 16.423 -5.107 0.705 1.00 15.29 C ATOM 1364 N GLN A 55 19.058 -3.214 -2.483 1.00 14.70 N ATOM 1365 CA GLN A 55 19.563 -2.318 -3.532 1.00 14.78 C ATOM 1366 C GLN A 55 19.457 -2.937 -4.948 1.00 12.28 C ATOM 1367 O GLN A 55 19.291 -2.235 -5.938 1.00 10.65 O ATOM 1368 CB GLN A 55 20.995 -1.890 -3.207 1.00 16.60 C ATOM 1369 CG GLN A 55 21.064 -1.221 -1.853 1.00 19.37 C ATOM 1370 CD GLN A 55 22.472 -0.994 -1.377 1.00 18.94 C ATOM 1371 OE1 GLN A 55 22.744 -0.060 -0.631 1.00 18.92 O ATOM 1372 NE2 GLN A 55 23.375 -1.863 -1.790 1.00 18.29 N ATOM 1373 N ALA A 56 19.569 -4.258 -5.012 1.00 11.47 N ATOM 1374 CA ALA A 56 19.455 -5.017 -6.249 1.00 11.78 C ATOM 1375 C ALA A 56 18.121 -4.802 -6.906 1.00 11.11 C ATOM 1376 O ALA A 56 18.031 -4.953 -8.095 1.00 9.06 O ATOM 1377 CB ALA A 56 19.622 -6.497 -5.998 1.00 11.43 C ATOM 1378 N VAL A 57 17.108 -4.397 -6.140 1.00 12.31 N ATOM 1379 CA VAL A 57 15.767 -4.163 -6.697 1.00 11.87 C ATOM 1380 C VAL A 57 15.721 -2.995 -7.695 1.00 11.66 C ATOM 1381 O VAL A 57 14.916 -2.988 -8.655 1.00 11.67 O ATOM 1382 CB VAL A 57 14.678 -4.048 -5.571 1.00 11.11 C ATOM 1383 CG1 VAL A 57 13.276 -3.779 -6.169 1.00 11.07 C ATOM 1384 CG2 VAL A 57 14.625 -5.352 -4.789 1.00 8.07 C ATOM 1385 N CYS A 58 16.664 -2.075 -7.544 1.00 12.04 N ATOM 1386 CA CYS A 58 16.766 -0.917 -8.449 1.00 15.00 C ATOM 1387 C CYS A 58 17.177 -1.291 -9.897 1.00 17.60 C ATOM 1388 O CYS A 58 17.268 -0.426 -10.786 1.00 18.00 O ATOM 1389 CB CYS A 58 17.763 0.083 -7.895 1.00 14.75 C ATOM 1390 SG CYS A 58 17.177 0.856 -6.389 1.00 13.71 S ATOM 1391 N SER A 59 17.436 -2.585 -10.087 1.00 18.85 N ATOM 1392 CA SER A 59 17.836 -3.177 -11.350 1.00 20.96 C ATOM 1393 C SER A 59 16.781 -4.185 -11.797 1.00 21.09 C ATOM 1394 O SER A 59 17.005 -4.930 -12.754 1.00 22.52 O ATOM 1395 CB SER A 59 19.178 -3.912 -11.174 1.00 22.31 C ATOM 1396 OG SER A 59 20.178 -3.000 -10.706 1.00 27.06 O ATOM 1397 N GLN A 60 15.659 -4.235 -11.082 1.00 18.66 N ATOM 1398 CA GLN A 60 14.628 -5.150 -11.426 1.00 16.56 C ATOM 1399 C GLN A 60 13.444 -4.587 -12.241 1.00 15.62 C ATOM 1400 O GLN A 60 13.633 -3.781 -13.143 1.00 14.42 O ATOM 1401 CB GLN A 60 14.273 -5.975 -10.202 1.00 16.80 C ATOM 1402 CG GLN A 60 15.470 -6.868 -9.868 1.00 18.22 C ATOM 1403 CD GLN A 60 15.407 -7.537 -8.518 1.00 18.12 C ATOM 1404 OE1 GLN A 60 14.345 -7.655 -7.940 1.00 17.80 O ATOM 1405 NE2 GLN A 60 16.551 -7.992 -8.015 1.00 19.50 N ATOM 1406 N LYS A 61 12.230 -5.011 -11.952 1.00 15.81 N ATOM 1407 CA LYS A 61 11.094 -4.588 -12.760 1.00 16.37 C ATOM 1408 C LYS A 61 10.748 -3.143 -12.559 1.00 15.60 C ATOM 1409 O LYS A 61 10.337 -2.751 -11.471 1.00 17.40 O ATOM 1410 CB LYS A 61 9.890 -5.438 -12.411 1.00 19.72 C ATOM 1411 CG LYS A 61 8.805 -5.329 -13.423 1.00 22.46 C ATOM 1412 CD LYS A 61 7.475 -5.669 -12.803 1.00 25.93 C ATOM 1413 CE LYS A 61 6.859 -6.883 -13.436 1.00 27.72 C ATOM 1414 NZ LYS A 61 6.831 -7.974 -12.415 1.00 30.60 N ATOM 1415 N ASN A 62 10.831 -2.356 -13.606 1.00 14.60 N ATOM 1416 CA ASN A 62 10.530 -0.929 -13.520 1.00 15.72 C ATOM 1417 C ASN A 62 9.022 -0.664 -13.683 1.00 16.75 C ATOM 1418 O ASN A 62 8.429 -1.129 -14.644 1.00 18.65 O ATOM 1419 CB ASN A 62 11.344 -0.220 -14.603 1.00 16.41 C ATOM 1420 CG ASN A 62 10.970 1.218 -14.784 1.00 17.30 C ATOM 1421 OD1 ASN A 62 10.668 1.623 -15.902 1.00 19.69 O ATOM 1422 ND2 ASN A 62 11.019 2.010 -13.711 1.00 15.56 N ATOM 1423 N VAL A 63 8.422 0.075 -12.747 1.00 15.91 N ATOM 1424 CA VAL A 63 6.981 0.410 -12.741 1.00 15.57 C ATOM 1425 C VAL A 63 6.788 1.889 -12.367 1.00 15.44 C ATOM 1426 O VAL A 63 7.736 2.536 -11.954 1.00 17.31 O ATOM 1427 CB VAL A 63 6.270 -0.384 -11.650 1.00 14.59 C ATOM 1428 CG1 VAL A 63 6.371 -1.882 -11.893 1.00 14.62 C ATOM 1429 CG2 VAL A 63 6.863 -0.038 -10.296 1.00 13.72 C ATOM 1430 N ALA A 64 5.583 2.437 -12.497 1.00 14.95 N ATOM 1431 CA ALA A 64 5.351 3.844 -12.080 1.00 14.53 C ATOM 1432 C ALA A 64 5.192 3.855 -10.570 1.00 14.76 C ATOM 1433 O ALA A 64 4.842 2.846 -9.985 1.00 15.38 O ATOM 1434 CB ALA A 64 4.088 4.413 -12.704 1.00 13.63 C ATOM 1435 N CYS A 65 5.453 4.980 -9.928 1.00 16.01 N ATOM 1436 CA CYS A 65 5.313 5.072 -8.481 1.00 16.20 C ATOM 1437 C CYS A 65 3.907 5.630 -8.330 1.00 17.29 C ATOM 1438 O CYS A 65 3.317 6.054 -9.298 1.00 16.25 O ATOM 1439 CB CYS A 65 6.331 6.087 -7.858 1.00 16.34 C ATOM 1440 SG CYS A 65 8.144 5.826 -8.115 1.00 19.22 S ATOM 1441 N LYS A 66 3.391 5.637 -7.114 1.00 19.85 N ATOM 1442 CA LYS A 66 2.094 6.205 -6.803 1.00 23.68 C ATOM 1443 C LYS A 66 2.036 7.671 -7.121 1.00 23.44 C ATOM 1444 O LYS A 66 1.012 8.158 -7.544 1.00 25.98 O ATOM 1445 CB LYS A 66 1.800 6.050 -5.330 1.00 25.87 C ATOM 1446 CG LYS A 66 1.596 4.653 -5.031 1.00 29.97 C ATOM 1447 CD LYS A 66 1.670 4.423 -3.584 1.00 34.38 C ATOM 1448 CE LYS A 66 1.389 2.941 -3.357 1.00 37.88 C ATOM 1449 NZ LYS A 66 -0.050 2.511 -3.659 1.00 41.01 N ATOM 1450 N ASN A 67 3.098 8.406 -6.850 1.00 24.56 N ATOM 1451 CA ASN A 67 3.102 9.856 -7.154 1.00 23.60 C ATOM 1452 C ASN A 67 3.223 10.145 -8.656 1.00 21.47 C ATOM 1453 O ASN A 67 3.351 11.290 -9.034 1.00 21.10 O ATOM 1454 CB ASN A 67 4.236 10.593 -6.421 1.00 24.28 C ATOM 1455 CG ASN A 67 5.645 10.157 -6.884 1.00 26.38 C ATOM 1456 OD1 ASN A 67 5.809 9.478 -7.897 1.00 25.88 O ATOM 1457 ND2 ASN A 67 6.660 10.570 -6.140 1.00 27.82 N ATOM 1458 N GLY A 68 3.317 9.113 -9.493 1.00 21.01 N ATOM 1459 CA GLY A 68 3.389 9.346 -10.921 1.00 19.61 C ATOM 1460 C GLY A 68 4.744 9.260 -11.545 1.00 21.05 C ATOM 1461 O GLY A 68 4.833 9.185 -12.764 1.00 20.05 O ATOM 1462 N GLN A 69 5.801 9.229 -10.732 1.00 22.42 N ATOM 1463 CA GLN A 69 7.147 9.132 -11.274 1.00 23.46 C ATOM 1464 C GLN A 69 7.401 7.749 -11.774 1.00 21.90 C ATOM 1465 O GLN A 69 6.768 6.766 -11.347 1.00 20.41 O ATOM 1466 CB GLN A 69 8.178 9.434 -10.230 1.00 29.06 C ATOM 1467 CG GLN A 69 8.152 10.832 -9.751 1.00 36.12 C ATOM 1468 CD GLN A 69 9.096 11.024 -8.585 1.00 41.50 C ATOM 1469 OE1 GLN A 69 9.381 10.071 -7.809 1.00 43.80 O ATOM 1470 NE2 GLN A 69 9.605 12.263 -8.438 1.00 43.94 N ATOM 1471 N THR A 70 8.397 7.648 -12.620 1.00 18.78 N ATOM 1472 CA THR A 70 8.677 6.380 -13.201 1.00 18.11 C ATOM 1473 C THR A 70 9.941 5.755 -12.738 1.00 16.32 C ATOM 1474 O THR A 70 10.371 4.799 -13.359 1.00 20.04 O ATOM 1475 CB THR A 70 8.759 6.523 -14.672 1.00 19.50 C ATOM 1476 OG1 THR A 70 9.471 7.739 -14.930 1.00 21.29 O ATOM 1477 CG2 THR A 70 7.366 6.590 -15.278 1.00 18.84 C ATOM 1478 N ASN A 71 10.542 6.260 -11.665 1.00 16.11 N ATOM 1479 CA ASN A 71 11.798 5.708 -11.134 1.00 13.93 C ATOM 1480 C ASN A 71 11.530 4.675 -10.070 1.00 13.78 C ATOM 1481 O ASN A 71 12.248 4.621 -9.076 1.00 16.05 O ATOM 1482 CB ASN A 71 12.707 6.801 -10.557 1.00 13.08 C ATOM 1483 CG ASN A 71 12.084 7.521 -9.387 1.00 13.63 C ATOM 1484 OD1 ASN A 71 10.957 7.938 -9.470 1.00 15.31 O ATOM 1485 ND2 ASN A 71 12.837 7.737 -8.329 1.00 12.39 N ATOM 1486 N CYS A 72 10.493 3.857 -10.249 1.00 12.98 N ATOM 1487 CA CYS A 72 10.168 2.846 -9.249 1.00 11.74 C ATOM 1488 C CYS A 72 10.464 1.447 -9.721 1.00 10.87 C ATOM 1489 O CYS A 72 10.504 1.202 -10.910 1.00 11.53 O ATOM 1490 CB CYS A 72 8.724 2.949 -8.769 1.00 12.47 C ATOM 1491 SG CYS A 72 8.513 4.018 -7.312 1.00 13.42 S ATOM 1492 N TYR A 73 10.779 0.555 -8.789 1.00 9.55 N ATOM 1493 CA TYR A 73 11.097 -0.807 -9.138 1.00 10.64 C ATOM 1494 C TYR A 73 10.431 -1.772 -8.185 1.00 11.54 C ATOM 1495 O TYR A 73 10.264 -1.510 -6.990 1.00 12.35 O ATOM 1496 CB TYR A 73 12.610 -1.032 -9.155 1.00 11.03 C ATOM 1497 CG TYR A 73 13.309 -0.126 -10.125 1.00 12.84 C ATOM 1498 CD1 TYR A 73 13.598 1.199 -9.777 1.00 14.08 C ATOM 1499 CD2 TYR A 73 13.554 -0.549 -11.426 1.00 14.49 C ATOM 1500 CE1 TYR A 73 14.093 2.079 -10.698 1.00 16.62 C ATOM 1501 CE2 TYR A 73 14.051 0.319 -12.373 1.00 17.71 C ATOM 1502 CZ TYR A 73 14.315 1.634 -12.004 1.00 18.80 C ATOM 1503 OH TYR A 73 14.812 2.488 -12.953 1.00 20.49 O ATOM 1504 N GLN A 74 10.050 -2.896 -8.753 1.00 12.45 N ATOM 1505 CA GLN A 74 9.400 -3.950 -8.050 1.00 14.66 C ATOM 1506 C GLN A 74 10.349 -5.148 -8.017 1.00 15.44 C ATOM 1507 O GLN A 74 10.895 -5.524 -9.058 1.00 15.23 O ATOM 1508 CB GLN A 74 8.129 -4.343 -8.816 1.00 15.79 C ATOM 1509 CG GLN A 74 7.309 -5.446 -8.097 1.00 19.71 C ATOM 1510 CD GLN A 74 6.161 -5.957 -8.951 1.00 21.61 C ATOM 1511 OE1 GLN A 74 5.213 -5.237 -9.196 1.00 24.45 O ATOM 1512 NE2 GLN A 74 6.283 -7.175 -9.465 1.00 24.15 N ATOM 1513 N SER A 75 10.515 -5.762 -6.847 1.00 14.88 N ATOM 1514 CA SER A 75 11.335 -6.932 -6.743 1.00 13.21 C ATOM 1515 C SER A 75 10.717 -8.077 -7.525 1.00 14.59 C ATOM 1516 O SER A 75 9.505 -8.228 -7.566 1.00 17.00 O ATOM 1517 CB SER A 75 11.508 -7.332 -5.290 1.00 11.62 C ATOM 1518 OG SER A 75 10.323 -7.841 -4.720 1.00 12.26 O ATOM 1519 N TYR A 76 11.557 -8.848 -8.207 1.00 15.02 N ATOM 1520 CA TYR A 76 11.101 -9.994 -8.948 1.00 15.05 C ATOM 1521 C TYR A 76 10.697 -11.037 -7.888 1.00 16.22 C ATOM 1522 O TYR A 76 9.732 -11.796 -8.066 1.00 16.77 O ATOM 1523 CB TYR A 76 12.248 -10.583 -9.738 1.00 14.38 C ATOM 1524 CG TYR A 76 12.732 -9.774 -10.898 1.00 15.41 C ATOM 1525 CD1 TYR A 76 11.855 -8.960 -11.624 1.00 14.76 C ATOM 1526 CD2 TYR A 76 14.060 -9.912 -11.351 1.00 14.79 C ATOM 1527 CE1 TYR A 76 12.270 -8.321 -12.768 1.00 15.13 C ATOM 1528 CE2 TYR A 76 14.505 -9.273 -12.507 1.00 15.55 C ATOM 1529 CZ TYR A 76 13.600 -8.483 -13.207 1.00 16.97 C ATOM 1530 OH TYR A 76 14.007 -7.851 -14.339 1.00 17.83 O ATOM 1531 N SER A 77 11.487 -11.151 -6.829 1.00 13.94 N ATOM 1532 CA SER A 77 11.185 -12.117 -5.794 1.00 16.18 C ATOM 1533 C SER A 77 10.382 -11.546 -4.628 1.00 16.41 C ATOM 1534 O SER A 77 10.159 -10.318 -4.524 1.00 14.42 O ATOM 1535 CB SER A 77 12.476 -12.706 -5.250 1.00 18.82 C ATOM 1536 OG SER A 77 13.160 -13.373 -6.289 1.00 24.95 O ATOM 1537 N THR A 78 9.832 -12.458 -3.826 1.00 16.41 N ATOM 1538 CA THR A 78 9.091 -12.049 -2.651 1.00 16.67 C ATOM 1539 C THR A 78 10.152 -11.887 -1.569 1.00 16.92 C ATOM 1540 O THR A 78 11.200 -12.548 -1.594 1.00 17.97 O ATOM 1541 CB THR A 78 7.940 -13.032 -2.215 1.00 15.31 C ATOM 1542 OG1 THR A 78 8.464 -14.345 -1.939 1.00 16.28 O ATOM 1543 CG2 THR A 78 6.863 -13.096 -3.296 1.00 14.82 C ATOM 1544 N MET A 79 9.888 -10.957 -0.660 1.00 16.19 N ATOM 1545 CA MET A 79 10.789 -10.633 0.405 1.00 14.38 C ATOM 1546 C MET A 79 10.015 -10.609 1.721 1.00 15.39 C ATOM 1547 O MET A 79 8.812 -10.368 1.773 1.00 17.49 O ATOM 1548 CB MET A 79 11.489 -9.283 0.102 1.00 12.72 C ATOM 1549 CG MET A 79 12.425 -9.296 -1.112 1.00 10.10 C ATOM 1550 SD MET A 79 13.307 -7.759 -1.151 1.00 13.35 S ATOM 1551 CE MET A 79 14.408 -8.088 -2.395 1.00 11.59 C ATOM 1552 N SER A 80 10.732 -10.944 2.763 1.00 14.35 N ATOM 1553 CA SER A 80 10.244 -11.010 4.099 1.00 15.48 C ATOM 1554 C SER A 80 10.088 -9.608 4.595 1.00 16.51 C ATOM 1555 O SER A 80 11.076 -8.852 4.638 1.00 15.91 O ATOM 1556 CB SER A 80 11.292 -11.719 4.945 1.00 14.74 C ATOM 1557 OG SER A 80 10.983 -11.554 6.292 1.00 17.88 O ATOM 1558 N ILE A 81 8.875 -9.270 5.023 1.00 16.80 N ATOM 1559 CA ILE A 81 8.579 -7.932 5.512 1.00 18.87 C ATOM 1560 C ILE A 81 7.710 -7.974 6.737 1.00 19.88 C ATOM 1561 O ILE A 81 6.984 -8.961 6.956 1.00 20.98 O ATOM 1562 CB ILE A 81 7.793 -7.049 4.433 1.00 19.86 C ATOM 1563 CG1 ILE A 81 6.461 -7.704 4.025 1.00 19.37 C ATOM 1564 CG2 ILE A 81 8.640 -6.862 3.152 1.00 20.23 C ATOM 1565 CD1 ILE A 81 5.497 -6.718 3.494 1.00 17.23 C ATOM 1566 N THR A 82 7.836 -6.939 7.569 1.00 19.86 N ATOM 1567 CA THR A 82 6.980 -6.790 8.726 1.00 19.68 C ATOM 1568 C THR A 82 6.200 -5.481 8.545 1.00 21.27 C ATOM 1569 O THR A 82 6.770 -4.413 8.313 1.00 21.39 O ATOM 1570 CB THR A 82 7.711 -6.760 10.061 1.00 19.23 C ATOM 1571 OG1 THR A 82 8.430 -7.986 10.253 1.00 18.86 O ATOM 1572 CG2 THR A 82 6.701 -6.672 11.162 1.00 17.23 C ATOM 1573 N ASP A 83 4.887 -5.612 8.513 1.00 22.45 N ATOM 1574 CA ASP A 83 3.986 -4.484 8.400 1.00 24.44 C ATOM 1575 C ASP A 83 3.590 -3.960 9.783 1.00 23.81 C ATOM 1576 O ASP A 83 3.001 -4.685 10.560 1.00 23.71 O ATOM 1577 CB ASP A 83 2.711 -4.936 7.731 1.00 26.90 C ATOM 1578 CG ASP A 83 1.924 -3.806 7.210 1.00 28.20 C ATOM 1579 OD1 ASP A 83 1.308 -3.026 7.984 1.00 28.87 O ATOM 1580 OD2 ASP A 83 1.967 -3.706 5.981 1.00 31.82 O ATOM 1581 N CYS A 84 3.850 -2.687 10.044 1.00 22.78 N ATOM 1582 CA CYS A 84 3.502 -2.075 11.316 1.00 22.73 C ATOM 1583 C CYS A 84 2.420 -1.058 11.057 1.00 20.53 C ATOM 1584 O CYS A 84 2.651 -0.134 10.316 1.00 22.19 O ATOM 1585 CB CYS A 84 4.711 -1.357 11.923 1.00 22.24 C ATOM 1586 SG CYS A 84 6.107 -2.450 12.363 1.00 23.46 S ATOM 1587 N ARG A 85 1.315 -1.157 11.781 1.00 17.37 N ATOM 1588 CA ARG A 85 0.181 -0.279 11.622 1.00 17.03 C ATOM 1589 C ARG A 85 -0.343 0.103 12.970 1.00 18.72 C ATOM 1590 O ARG A 85 -0.590 -0.747 13.824 1.00 18.89 O ATOM 1591 CB ARG A 85 -0.926 -1.040 10.908 1.00 17.99 C ATOM 1592 CG ARG A 85 -2.166 -0.241 10.588 1.00 17.83 C ATOM 1593 CD ARG A 85 -2.587 -0.627 9.181 1.00 17.23 C ATOM 1594 NE ARG A 85 -3.215 0.519 8.625 1.00 15.80 N ATOM 1595 CZ ARG A 85 -3.088 0.958 7.392 1.00 14.18 C ATOM 1596 NH1 ARG A 85 -2.335 0.351 6.491 1.00 13.88 N ATOM 1597 NH2 ARG A 85 -3.763 2.034 7.089 1.00 11.37 N ATOM 1598 N GLU A 86 -0.591 1.386 13.143 1.00 19.63 N ATOM 1599 CA GLU A 86 -1.094 1.903 14.394 1.00 19.89 C ATOM 1600 C GLU A 86 -2.522 1.381 14.744 1.00 22.30 C ATOM 1601 O GLU A 86 -3.399 1.303 13.883 1.00 24.30 O ATOM 1602 CB GLU A 86 -1.067 3.406 14.264 1.00 17.83 C ATOM 1603 CG GLU A 86 -0.900 4.072 15.526 1.00 19.25 C ATOM 1604 CD GLU A 86 -1.050 5.533 15.405 1.00 20.36 C ATOM 1605 OE1 GLU A 86 -1.367 6.053 14.316 1.00 21.48 O ATOM 1606 OE2 GLU A 86 -0.833 6.180 16.421 1.00 22.37 O ATOM 1607 N THR A 87 -2.747 0.954 15.978 1.00 24.55 N ATOM 1608 CA THR A 87 -4.070 0.469 16.392 1.00 25.35 C ATOM 1609 C THR A 87 -5.062 1.643 16.470 1.00 27.45 C ATOM 1610 O THR A 87 -4.675 2.820 16.383 1.00 25.79 O ATOM 1611 CB THR A 87 -4.044 -0.195 17.770 1.00 24.42 C ATOM 1612 OG1 THR A 87 -3.727 0.791 18.744 1.00 25.17 O ATOM 1613 CG2 THR A 87 -2.990 -1.308 17.883 1.00 25.52 C ATOM 1614 N GLY A 88 -6.342 1.311 16.631 1.00 31.65 N ATOM 1615 CA GLY A 88 -7.388 2.322 16.714 1.00 34.80 C ATOM 1616 C GLY A 88 -7.358 3.114 18.003 1.00 37.56 C ATOM 1617 O GLY A 88 -7.879 4.230 18.061 1.00 37.77 O ATOM 1618 N SER A 89 -6.731 2.527 19.025 1.00 40.66 N ATOM 1619 CA SER A 89 -6.591 3.111 20.365 1.00 42.30 C ATOM 1620 C SER A 89 -5.319 3.917 20.597 1.00 42.88 C ATOM 1621 O SER A 89 -5.306 4.836 21.416 1.00 44.76 O ATOM 1622 CB SER A 89 -6.660 2.000 21.421 1.00 43.34 C ATOM 1623 OG SER A 89 -6.353 0.725 20.856 1.00 44.79 O ATOM 1624 N SER A 90 -4.241 3.524 19.922 1.00 42.54 N ATOM 1625 CA SER A 90 -2.946 4.180 20.038 1.00 40.77 C ATOM 1626 C SER A 90 -3.035 5.698 20.054 1.00 41.93 C ATOM 1627 O SER A 90 -3.686 6.309 19.199 1.00 42.26 O ATOM 1628 CB SER A 90 -2.063 3.757 18.880 1.00 38.51 C ATOM 1629 OG SER A 90 -0.891 4.537 18.821 1.00 36.23 O ATOM 1630 N LYS A 91 -2.384 6.292 21.049 1.00 43.69 N ATOM 1631 CA LYS A 91 -2.318 7.739 21.191 1.00 45.68 C ATOM 1632 C LYS A 91 -0.891 8.105 21.633 1.00 45.30 C ATOM 1633 O LYS A 91 -0.320 7.499 22.558 1.00 45.20 O ATOM 1634 CB LYS A 91 -3.353 8.246 22.205 1.00 47.80 C ATOM 1635 CG LYS A 91 -3.895 9.631 21.865 1.00 50.74 C ATOM 1636 CD LYS A 91 -4.667 10.237 23.043 1.00 54.95 C ATOM 1637 CE LYS A 91 -3.711 10.645 24.235 1.00 58.13 C ATOM 1638 NZ LYS A 91 -4.325 11.415 25.394 1.00 59.07 N ATOM 1639 N TYR A 92 -0.301 9.062 20.933 1.00 44.16 N ATOM 1640 CA TYR A 92 1.048 9.516 21.240 1.00 44.53 C ATOM 1641 C TYR A 92 1.022 10.104 22.645 1.00 44.88 C ATOM 1642 O TYR A 92 0.075 10.787 22.999 1.00 47.24 O ATOM 1643 CB TYR A 92 1.452 10.582 20.216 1.00 44.46 C ATOM 1644 CG TYR A 92 2.736 11.325 20.514 1.00 44.46 C ATOM 1645 CD1 TYR A 92 3.986 10.770 20.207 1.00 44.44 C ATOM 1646 CD2 TYR A 92 2.697 12.590 21.098 1.00 44.53 C ATOM 1647 CE1 TYR A 92 5.172 11.471 20.486 1.00 45.34 C ATOM 1648 CE2 TYR A 92 3.866 13.299 21.381 1.00 45.32 C ATOM 1649 CZ TYR A 92 5.105 12.744 21.079 1.00 45.58 C ATOM 1650 OH TYR A 92 6.251 13.456 21.405 1.00 45.99 O ATOM 1651 N PRO A 93 2.092 9.948 23.427 1.00 43.80 N ATOM 1652 CA PRO A 93 3.363 9.282 23.186 1.00 42.61 C ATOM 1653 C PRO A 93 3.306 7.785 23.407 1.00 41.67 C ATOM 1654 O PRO A 93 4.324 7.096 23.361 1.00 41.75 O ATOM 1655 CB PRO A 93 4.280 9.977 24.179 1.00 43.08 C ATOM 1656 CG PRO A 93 3.380 10.175 25.331 1.00 43.61 C ATOM 1657 CD PRO A 93 2.137 10.696 24.696 1.00 43.64 C ATOM 1658 N ASN A 94 2.119 7.262 23.653 1.00 41.25 N ATOM 1659 CA ASN A 94 2.018 5.832 23.830 1.00 40.16 C ATOM 1660 C ASN A 94 1.457 5.210 22.579 1.00 36.86 C ATOM 1661 O ASN A 94 0.279 4.907 22.503 1.00 35.83 O ATOM 1662 CB ASN A 94 1.191 5.516 25.059 1.00 44.08 C ATOM 1663 CG ASN A 94 1.943 5.845 26.357 1.00 47.07 C ATOM 1664 OD1 ASN A 94 1.979 7.010 26.807 1.00 48.04 O ATOM 1665 ND2 ASN A 94 2.593 4.830 26.932 1.00 47.13 N ATOM 1666 N CYS A 95 2.322 5.109 21.575 1.00 33.79 N ATOM 1667 CA CYS A 95 2.003 4.548 20.253 1.00 31.67 C ATOM 1668 C CYS A 95 1.911 3.020 20.310 1.00 31.28 C ATOM 1669 O CYS A 95 2.701 2.372 21.000 1.00 33.97 O ATOM 1670 CB CYS A 95 3.063 4.977 19.244 1.00 29.45 C ATOM 1671 SG CYS A 95 3.413 6.762 19.281 1.00 28.56 S ATOM 1672 N ALA A 96 0.933 2.445 19.619 1.00 28.73 N ATOM 1673 CA ALA A 96 0.719 1.007 19.645 1.00 24.77 C ATOM 1674 C ALA A 96 0.561 0.496 18.212 1.00 23.81 C ATOM 1675 O ALA A 96 -0.101 1.117 17.405 1.00 21.35 O ATOM 1676 CB ALA A 96 -0.534 0.698 20.496 1.00 24.96 C ATOM 1677 N TYR A 97 1.128 -0.665 17.916 1.00 22.06 N ATOM 1678 CA TYR A 97 1.067 -1.187 16.581 1.00 21.20 C ATOM 1679 C TYR A 97 0.826 -2.681 16.548 1.00 22.61 C ATOM 1680 O TYR A 97 1.156 -3.414 17.465 1.00 24.06 O ATOM 1681 CB TYR A 97 2.411 -0.921 15.872 1.00 18.63 C ATOM 1682 CG TYR A 97 2.824 0.535 15.766 1.00 16.75 C ATOM 1683 CD1 TYR A 97 2.524 1.274 14.615 1.00 14.96 C ATOM 1684 CD2 TYR A 97 3.522 1.175 16.801 1.00 13.64 C ATOM 1685 CE1 TYR A 97 2.904 2.609 14.497 1.00 15.11 C ATOM 1686 CE2 TYR A 97 3.908 2.511 16.689 1.00 12.67 C ATOM 1687 CZ TYR A 97 3.594 3.215 15.538 1.00 13.63 C ATOM 1688 OH TYR A 97 3.937 4.523 15.392 1.00 13.27 O ATOM 1689 N LYS A 98 0.244 -3.113 15.450 1.00 24.66 N ATOM 1690 CA LYS A 98 0.013 -4.515 15.167 1.00 26.78 C ATOM 1691 C LYS A 98 1.213 -4.866 14.284 1.00 25.79 C ATOM 1692 O LYS A 98 1.618 -4.098 13.395 1.00 24.11 O ATOM 1693 CB LYS A 98 -1.254 -4.680 14.320 1.00 30.86 C ATOM 1694 CG LYS A 98 -2.335 -3.642 14.663 1.00 35.64 C ATOM 1695 CD LYS A 98 -2.923 -2.863 13.452 1.00 37.06 C ATOM 1696 CE LYS A 98 -3.871 -1.799 13.996 1.00 38.40 C ATOM 1697 NZ LYS A 98 -4.761 -2.357 15.145 1.00 40.60 N ATOM 1698 N THR A 99 1.786 -6.019 14.532 1.00 25.35 N ATOM 1699 CA THR A 99 2.903 -6.468 13.757 1.00 23.61 C ATOM 1700 C THR A 99 2.381 -7.520 12.785 1.00 26.04 C ATOM 1701 O THR A 99 1.812 -8.522 13.225 1.00 28.17 O ATOM 1702 CB THR A 99 3.897 -7.096 14.705 1.00 20.89 C ATOM 1703 OG1 THR A 99 4.375 -6.094 15.606 1.00 21.14 O ATOM 1704 CG2 THR A 99 5.030 -7.747 13.979 1.00 19.77 C ATOM 1705 N THR A 100 2.498 -7.293 11.474 1.00 27.61 N ATOM 1706 CA THR A 100 2.093 -8.319 10.504 1.00 26.92 C ATOM 1707 C THR A 100 3.275 -8.753 9.628 1.00 26.46 C ATOM 1708 O THR A 100 3.822 -7.969 8.852 1.00 25.67 O ATOM 1709 CB THR A 100 0.967 -7.833 9.575 1.00 29.68 C ATOM 1710 OG1 THR A 100 -0.126 -7.337 10.363 1.00 32.41 O ATOM 1711 CG2 THR A 100 0.483 -8.980 8.676 1.00 28.48 C ATOM 1712 N GLN A 101 3.663 -10.016 9.744 1.00 26.40 N ATOM 1713 CA GLN A 101 4.747 -10.565 8.940 1.00 25.96 C ATOM 1714 C GLN A 101 4.187 -11.099 7.634 1.00 25.53 C ATOM 1715 O GLN A 101 3.128 -11.771 7.599 1.00 24.91 O ATOM 1716 CB GLN A 101 5.478 -11.681 9.699 1.00 26.36 C ATOM 1717 CG GLN A 101 6.493 -12.508 8.868 1.00 28.24 C ATOM 1718 CD GLN A 101 7.733 -11.745 8.339 1.00 27.99 C ATOM 1719 OE1 GLN A 101 8.210 -12.004 7.213 1.00 27.97 O ATOM 1720 NE2 GLN A 101 8.273 -10.846 9.160 1.00 27.36 N ATOM 1721 N ALA A 102 4.884 -10.811 6.550 1.00 24.18 N ATOM 1722 CA ALA A 102 4.419 -11.303 5.273 1.00 23.86 C ATOM 1723 C ALA A 102 5.591 -11.453 4.320 1.00 23.95 C ATOM 1724 O ALA A 102 6.667 -10.919 4.558 1.00 22.98 O ATOM 1725 CB ALA A 102 3.367 -10.334 4.696 1.00 24.66 C ATOM 1726 N ASN A 103 5.379 -12.225 3.270 1.00 23.61 N ATOM 1727 CA ASN A 103 6.366 -12.416 2.231 1.00 24.78 C ATOM 1728 C ASN A 103 5.748 -11.868 0.925 1.00 23.09 C ATOM 1729 O ASN A 103 4.855 -12.483 0.326 1.00 24.11 O ATOM 1730 CB ASN A 103 6.735 -13.902 2.117 1.00 28.05 C ATOM 1731 CG ASN A 103 8.061 -14.234 2.816 1.00 31.29 C ATOM 1732 OD1 ASN A 103 9.078 -14.502 2.143 1.00 33.71 O ATOM 1733 ND2 ASN A 103 8.069 -14.201 4.158 1.00 32.02 N ATOM 1734 N LYS A 104 6.190 -10.691 0.498 1.00 20.30 N ATOM 1735 CA LYS A 104 5.638 -10.078 -0.710 1.00 18.46 C ATOM 1736 C LYS A 104 6.748 -9.383 -1.511 1.00 17.67 C ATOM 1737 O LYS A 104 7.904 -9.289 -1.072 1.00 16.69 O ATOM 1738 CB LYS A 104 4.660 -8.969 -0.320 1.00 20.75 C ATOM 1739 CG LYS A 104 3.648 -9.285 0.728 1.00 23.08 C ATOM 1740 CD LYS A 104 3.122 -7.981 1.286 1.00 27.55 C ATOM 1741 CE LYS A 104 1.601 -8.020 1.405 1.00 30.45 C ATOM 1742 NZ LYS A 104 1.039 -6.891 2.238 1.00 31.43 N ATOM 1743 N HIS A 105 6.387 -8.891 -2.687 1.00 15.93 N ATOM 1744 CA HIS A 105 7.289 -8.151 -3.507 1.00 14.21 C ATOM 1745 C HIS A 105 7.192 -6.778 -2.942 1.00 14.78 C ATOM 1746 O HIS A 105 6.183 -6.411 -2.333 1.00 16.32 O ATOM 1747 CB HIS A 105 6.812 -8.101 -4.928 1.00 16.42 C ATOM 1748 CG HIS A 105 6.680 -9.441 -5.550 1.00 16.88 C ATOM 1749 ND1 HIS A 105 7.661 -9.987 -6.350 1.00 17.91 N ATOM 1750 CD2 HIS A 105 5.685 -10.347 -5.498 1.00 17.03 C ATOM 1751 CE1 HIS A 105 7.276 -11.179 -6.759 1.00 15.95 C ATOM 1752 NE2 HIS A 105 6.081 -11.421 -6.257 1.00 17.87 N ATOM 1753 N ILE A 106 8.259 -6.010 -3.095 1.00 13.33 N ATOM 1754 CA ILE A 106 8.288 -4.670 -2.557 1.00 10.05 C ATOM 1755 C ILE A 106 8.549 -3.784 -3.742 1.00 8.65 C ATOM 1756 O ILE A 106 9.051 -4.262 -4.763 1.00 8.61 O ATOM 1757 CB ILE A 106 9.437 -4.512 -1.498 1.00 10.08 C ATOM 1758 CG1 ILE A 106 10.790 -4.786 -2.153 1.00 9.03 C ATOM 1759 CG2 ILE A 106 9.279 -5.498 -0.363 1.00 9.58 C ATOM 1760 CD1 ILE A 106 11.924 -3.994 -1.557 1.00 7.93 C ATOM 1761 N ILE A 107 8.146 -2.523 -3.644 1.00 8.18 N ATOM 1762 CA ILE A 107 8.369 -1.568 -4.707 1.00 9.86 C ATOM 1763 C ILE A 107 9.023 -0.375 -4.070 1.00 10.31 C ATOM 1764 O ILE A 107 8.518 0.158 -3.117 1.00 10.49 O ATOM 1765 CB ILE A 107 7.031 -1.164 -5.407 1.00 11.68 C ATOM 1766 CG1 ILE A 107 6.407 -2.419 -6.005 1.00 12.23 C ATOM 1767 CG2 ILE A 107 7.280 -0.103 -6.496 1.00 10.10 C ATOM 1768 CD1 ILE A 107 5.134 -2.224 -6.726 1.00 14.71 C ATOM 1769 N VAL A 108 10.138 0.076 -4.608 1.00 11.72 N ATOM 1770 CA VAL A 108 10.851 1.213 -4.006 1.00 12.00 C ATOM 1771 C VAL A 108 11.235 2.170 -5.090 1.00 12.11 C ATOM 1772 O VAL A 108 11.359 1.780 -6.265 1.00 13.13 O ATOM 1773 CB VAL A 108 12.213 0.745 -3.337 1.00 13.20 C ATOM 1774 CG1 VAL A 108 11.955 -0.032 -2.052 1.00 12.58 C ATOM 1775 CG2 VAL A 108 13.026 -0.116 -4.314 1.00 10.69 C ATOM 1776 N ALA A 109 11.458 3.412 -4.704 1.00 11.80 N ATOM 1777 CA ALA A 109 11.890 4.461 -5.634 1.00 11.83 C ATOM 1778 C ALA A 109 13.408 4.499 -5.552 1.00 12.22 C ATOM 1779 O ALA A 109 13.924 4.467 -4.452 1.00 13.03 O ATOM 1780 CB ALA A 109 11.313 5.830 -5.172 1.00 9.80 C ATOM 1781 N CYS A 110 14.131 4.502 -6.678 1.00 14.35 N ATOM 1782 CA CYS A 110 15.609 4.581 -6.656 1.00 15.11 C ATOM 1783 C CYS A 110 16.114 5.908 -7.179 1.00 17.04 C ATOM 1784 O CYS A 110 15.502 6.491 -8.068 1.00 19.89 O ATOM 1785 CB CYS A 110 16.219 3.477 -7.481 1.00 14.30 C ATOM 1786 SG CYS A 110 15.560 1.878 -7.000 1.00 13.48 S ATOM 1787 N GLU A 111 17.246 6.372 -6.662 1.00 19.10 N ATOM 1788 CA GLU A 111 17.815 7.641 -7.078 1.00 19.41 C ATOM 1789 C GLU A 111 19.259 7.716 -6.712 1.00 19.89 C ATOM 1790 O GLU A 111 19.705 6.978 -5.857 1.00 18.63 O ATOM 1791 CB GLU A 111 17.118 8.741 -6.331 1.00 22.48 C ATOM 1792 CG GLU A 111 17.387 10.136 -6.754 1.00 26.43 C ATOM 1793 CD GLU A 111 16.084 10.958 -6.766 1.00 30.47 C ATOM 1794 OE1 GLU A 111 15.633 11.438 -5.688 1.00 30.40 O ATOM 1795 OE2 GLU A 111 15.470 11.059 -7.865 1.00 32.41 O ATOM 1796 N GLY A 112 20.012 8.487 -7.488 1.00 21.33 N ATOM 1797 CA GLY A 112 21.409 8.731 -7.180 1.00 21.03 C ATOM 1798 C GLY A 112 22.534 7.864 -7.641 1.00 20.93 C ATOM 1799 O GLY A 112 22.321 6.927 -8.371 1.00 22.31 O ATOM 1800 N ASN A 113 23.752 8.247 -7.235 1.00 21.93 N ATOM 1801 CA ASN A 113 25.037 7.550 -7.544 1.00 21.83 C ATOM 1802 C ASN A 113 25.799 7.313 -6.251 1.00 19.10 C ATOM 1803 O ASN A 113 26.371 8.264 -5.705 1.00 18.01 O ATOM 1804 CB ASN A 113 25.968 8.422 -8.403 1.00 23.70 C ATOM 1805 CG ASN A 113 27.114 7.634 -9.018 1.00 24.66 C ATOM 1806 OD1 ASN A 113 27.964 8.216 -9.682 1.00 26.09 O ATOM 1807 ND2 ASN A 113 27.062 6.301 -8.934 1.00 25.34 N ATOM 1808 N PRO A 114 25.772 6.076 -5.719 1.00 16.07 N ATOM 1809 CA PRO A 114 25.098 4.856 -6.189 1.00 15.49 C ATOM 1810 C PRO A 114 23.540 4.895 -6.274 1.00 13.73 C ATOM 1811 O PRO A 114 22.899 5.542 -5.468 1.00 12.13 O ATOM 1812 CB PRO A 114 25.592 3.806 -5.185 1.00 13.27 C ATOM 1813 CG PRO A 114 25.701 4.559 -3.982 1.00 14.37 C ATOM 1814 CD PRO A 114 26.406 5.816 -4.423 1.00 15.98 C ATOM 1815 N TYR A 115 22.983 4.231 -7.296 1.00 13.44 N ATOM 1816 CA TYR A 115 21.540 4.130 -7.562 1.00 12.95 C ATOM 1817 C TYR A 115 20.917 3.159 -6.594 1.00 13.63 C ATOM 1818 O TYR A 115 20.810 1.984 -6.885 1.00 15.02 O ATOM 1819 CB TYR A 115 21.323 3.577 -8.938 1.00 12.82 C ATOM 1820 CG TYR A 115 19.960 3.914 -9.512 1.00 12.33 C ATOM 1821 CD1 TYR A 115 19.542 5.247 -9.642 1.00 11.29 C ATOM 1822 CD2 TYR A 115 19.121 2.907 -9.955 1.00 10.68 C ATOM 1823 CE1 TYR A 115 18.347 5.538 -10.198 1.00 11.33 C ATOM 1824 CE2 TYR A 115 17.932 3.189 -10.508 1.00 10.35 C ATOM 1825 CZ TYR A 115 17.543 4.494 -10.640 1.00 10.64 C ATOM 1826 OH TYR A 115 16.375 4.736 -11.303 1.00 12.38 O ATOM 1827 N VAL A 116 20.365 3.695 -5.524 1.00 13.84 N ATOM 1828 CA VAL A 116 19.836 2.898 -4.438 1.00 14.72 C ATOM 1829 C VAL A 116 18.419 3.310 -4.035 1.00 14.79 C ATOM 1830 O VAL A 116 17.896 4.317 -4.535 1.00 15.46 O ATOM 1831 CB VAL A 116 20.760 3.056 -3.175 1.00 14.16 C ATOM 1832 CG1 VAL A 116 22.096 2.396 -3.418 1.00 13.12 C ATOM 1833 CG2 VAL A 116 20.952 4.516 -2.832 1.00 13.26 C ATOM 1834 N PRO A 117 17.772 2.523 -3.150 1.00 14.25 N ATOM 1835 CA PRO A 117 16.410 2.881 -2.740 1.00 13.87 C ATOM 1836 C PRO A 117 16.309 4.155 -1.908 1.00 15.11 C ATOM 1837 O PRO A 117 17.086 4.371 -0.989 1.00 16.55 O ATOM 1838 CB PRO A 117 15.959 1.643 -1.955 1.00 13.50 C ATOM 1839 CG PRO A 117 16.805 0.545 -2.518 1.00 11.88 C ATOM 1840 CD PRO A 117 18.141 1.194 -2.612 1.00 11.96 C ATOM 1841 N VAL A 118 15.365 5.026 -2.238 1.00 15.93 N ATOM 1842 CA VAL A 118 15.225 6.227 -1.462 1.00 15.50 C ATOM 1843 C VAL A 118 13.843 6.380 -0.966 1.00 17.19 C ATOM 1844 O VAL A 118 13.619 7.236 -0.150 1.00 16.85 O ATOM 1845 CB VAL A 118 15.598 7.493 -2.187 1.00 14.61 C ATOM 1846 CG1 VAL A 118 17.083 7.492 -2.467 1.00 13.49 C ATOM 1847 CG2 VAL A 118 14.757 7.670 -3.411 1.00 14.28 C ATOM 1848 N HIS A 119 12.933 5.511 -1.410 1.00 21.23 N ATOM 1849 CA HIS A 119 11.509 5.574 -1.007 1.00 22.99 C ATOM 1850 C HIS A 119 10.799 4.218 -1.075 1.00 19.84 C ATOM 1851 O HIS A 119 10.885 3.482 -2.062 1.00 19.21 O ATOM 1852 CB HIS A 119 10.743 6.658 -1.843 1.00 29.23 C ATOM 1853 CG HIS A 119 9.235 6.495 -1.883 1.00 34.39 C ATOM 1854 ND1 HIS A 119 8.387 7.044 -0.938 1.00 36.18 N ATOM 1855 CD2 HIS A 119 8.435 5.865 -2.785 1.00 36.03 C ATOM 1856 CE1 HIS A 119 7.132 6.771 -1.253 1.00 36.50 C ATOM 1857 NE2 HIS A 119 7.132 6.058 -2.368 1.00 38.23 N ATOM 1858 N PHE A 120 10.113 3.876 0.004 1.00 16.74 N ATOM 1859 CA PHE A 120 9.393 2.629 0.009 1.00 15.83 C ATOM 1860 C PHE A 120 8.066 2.981 -0.592 1.00 13.93 C ATOM 1861 O PHE A 120 7.410 3.850 -0.102 1.00 13.18 O ATOM 1862 CB PHE A 120 9.225 2.089 1.419 1.00 15.68 C ATOM 1863 CG PHE A 120 8.688 0.708 1.442 1.00 16.10 C ATOM 1864 CD1 PHE A 120 7.313 0.490 1.346 1.00 14.73 C ATOM 1865 CD2 PHE A 120 9.558 -0.378 1.410 1.00 15.39 C ATOM 1866 CE1 PHE A 120 6.821 -0.773 1.206 1.00 14.58 C ATOM 1867 CE2 PHE A 120 9.079 -1.636 1.269 1.00 15.29 C ATOM 1868 CZ PHE A 120 7.689 -1.844 1.161 1.00 14.79 C ATOM 1869 N ASP A 121 7.730 2.395 -1.719 1.00 13.88 N ATOM 1870 CA ASP A 121 6.464 2.718 -2.357 1.00 13.43 C ATOM 1871 C ASP A 121 5.282 1.801 -1.917 1.00 13.71 C ATOM 1872 O ASP A 121 4.247 2.306 -1.526 1.00 12.43 O ATOM 1873 CB ASP A 121 6.652 2.764 -3.853 1.00 14.10 C ATOM 1874 CG ASP A 121 5.613 3.617 -4.532 1.00 17.70 C ATOM 1875 OD1 ASP A 121 5.693 4.883 -4.546 1.00 17.41 O ATOM 1876 OD2 ASP A 121 4.671 3.001 -5.031 1.00 18.65 O ATOM 1877 N ALA A 122 5.426 0.481 -1.941 1.00 12.38 N ATOM 1878 CA ALA A 122 4.360 -0.402 -1.494 1.00 13.12 C ATOM 1879 C ALA A 122 4.781 -1.852 -1.591 1.00 13.94 C ATOM 1880 O ALA A 122 5.751 -2.179 -2.275 1.00 13.69 O ATOM 1881 CB ALA A 122 3.129 -0.196 -2.332 1.00 14.75 C ATOM 1882 N SER A 123 4.122 -2.734 -0.871 1.00 15.51 N ATOM 1883 CA SER A 123 4.482 -4.129 -1.033 1.00 20.63 C ATOM 1884 C SER A 123 3.332 -4.743 -1.778 1.00 21.39 C ATOM 1885 O SER A 123 2.249 -4.233 -1.736 1.00 22.77 O ATOM 1886 CB SER A 123 4.869 -4.854 0.276 1.00 22.81 C ATOM 1887 OG SER A 123 3.923 -4.743 1.328 1.00 25.38 O ATOM 1888 N VAL A 124 3.605 -5.740 -2.589 1.00 24.83 N ATOM 1889 CA VAL A 124 2.581 -6.362 -3.404 1.00 27.06 C ATOM 1890 C VAL A 124 2.703 -7.862 -3.201 1.00 27.63 C ATOM 1891 O VAL A 124 3.778 -8.429 -3.450 1.00 28.04 O ATOM 1892 CB VAL A 124 2.808 -6.032 -4.914 1.00 26.97 C ATOM 1893 CG1 VAL A 124 1.614 -6.399 -5.690 1.00 28.58 C ATOM 1894 CG2 VAL A 124 3.081 -4.579 -5.098 1.00 27.41 C ATOM 1895 OXT VAL A 124 1.721 -8.455 -2.758 1.00 28.95 O TER 1896 VAL B 124 HETATM 1897 O HOH A 203 20.611 5.060 8.409 1.00 26.63 O HETATM 1898 O HOH A 212 19.516 0.799 9.518 1.00 23.13 O HETATM 1899 O HOH A 216 18.245 -0.367 19.834 1.00 25.50 O HETATM 1900 O HOH A 231 28.048 -8.699 22.645 1.00 15.61 O HETATM 1901 O HOH A 234 35.637 -2.919 23.066 1.00 20.35 O HETATM 1902 O HOH A 235 23.972 -6.319 32.174 1.00 25.26 O HETATM 1903 O HOH A 237 40.060 -6.097 38.269 1.00 50.79 O HETATM 1904 O HOH A 239 35.402 1.597 25.765 1.00 19.13 O HETATM 1905 O HOH A 240 17.496 -0.557 26.751 1.00 38.13 O HETATM 1906 O HOH A 241 18.274 -7.499 19.384 1.00 62.78 O HETATM 1907 O HOH A 242 23.034 -1.502 8.446 1.00 40.43 O HETATM 1908 O HOH A 243 32.941 7.446 11.010 1.00 25.88 O HETATM 1909 O HOH A 244 34.099 7.922 15.368 1.00 21.74 O HETATM 1910 O HOH A 245 33.999 5.105 14.407 1.00 23.11 O HETATM 1911 O HOH A 249 18.745 3.417 18.582 1.00 24.61 O HETATM 1912 O HOH A 271 31.915 -13.919 19.427 1.00 33.89 O HETATM 1913 O HOH A 275 23.037 -7.311 29.287 1.00 39.54 O HETATM 1914 O HOH A 276 41.326 1.644 27.035 1.00 75.27 O HETATM 1915 O HOH A 279 35.221 10.020 33.109 1.00 36.26 O HETATM 1916 O HOH A 285 38.059 0.513 15.230 1.00 14.93 O HETATM 1917 O HOH A 286 25.601 -10.816 22.116 1.00 15.99 O HETATM 1918 O HOH A 289 25.548 -12.723 9.946 1.00 26.12 O HETATM 1919 O HOH A 290 27.874 -14.552 16.791 1.00 36.79 O HETATM 1920 O HOH A 292 34.399 5.319 40.146 1.00 31.74 O HETATM 1921 O HOH A 296 52.599 0.332 39.058 1.00 22.15 O HETATM 1922 O HOH A 300 36.549 -2.013 15.175 1.00 41.72 O HETATM 1923 O HOH A 302 30.324 -12.447 29.430 1.00 28.39 O HETATM 1924 O HOH A 310 35.068 -8.646 22.050 1.00 30.00 O HETATM 1925 O HOH A 314 22.917 -4.942 9.725 1.00 48.14 O HETATM 1926 O HOH B 201 18.745 3.333 0.589 1.00 15.59 O HETATM 1927 O HOH B 202 20.437 8.092 9.637 1.00 39.44 O HETATM 1928 O HOH B 206 18.964 -11.048 1.990 1.00 27.62 O HETATM 1929 O HOH B 207 21.996 -9.298 -4.373 1.00 37.60 O HETATM 1930 O HOH B 208 17.379 -8.605 -4.891 1.00 25.27 O HETATM 1931 O HOH B 209 12.018 -3.321 -16.397 1.00 22.29 O HETATM 1932 O HOH B 210 20.349 9.502 -0.741 1.00 55.56 O HETATM 1933 O HOH B 211 21.650 1.900 0.802 1.00 26.70 O HETATM 1934 O HOH B 215 3.790 -4.246 18.142 1.00 24.08 O HETATM 1935 O HOH B 217 16.849 -1.399 14.891 1.00 33.14 O HETATM 1936 O HOH B 219 13.694 -9.751 -5.896 1.00 21.20 O HETATM 1937 O HOH B 221 0.165 -4.843 10.627 1.00 18.95 O HETATM 1938 O HOH B 226 19.627 -7.998 -9.345 1.00 42.81 O HETATM 1939 O HOH B 229 28.066 10.356 -5.588 1.00 26.73 O HETATM 1940 O HOH B 252 20.574 8.118 -3.626 1.00 21.21 O HETATM 1941 O HOH B 253 23.042 7.073 -3.073 1.00 30.37 O HETATM 1942 O HOH B 255 15.482 -11.782 -4.497 1.00 31.64 O HETATM 1943 O HOH B 256 24.055 3.954 -0.121 1.00 26.92 O HETATM 1944 O HOH B 258 19.098 -3.436 8.685 1.00 27.06 O HETATM 1945 O HOH B 261 18.016 0.074 -13.174 1.00 11.64 O HETATM 1946 O HOH B 262 11.891 -6.878 -15.988 1.00 25.69 O HETATM 1947 O HOH B 264 7.770 -11.282 -10.494 1.00 33.44 O HETATM 1948 O HOH B 266 -1.002 -1.506 5.711 1.00 27.94 O HETATM 1949 O HOH B 269 3.395 -14.566 3.387 1.00 45.43 O HETATM 1950 O HOH B 284 15.550 8.681 -10.203 1.00 23.95 O HETATM 1951 O HOH B 287 19.129 8.873 -10.043 1.00 22.40 O HETATM 1952 O HOH B 288 12.362 6.060 3.552 1.00 23.48 O HETATM 1953 O HOH B 291 5.677 7.478 -4.970 1.00 41.09 O HETATM 1954 O HOH B 293 10.782 7.538 18.619 1.00 28.31 O HETATM 1955 O HOH B 295 9.834 5.771 2.572 1.00 26.66 O HETATM 1956 O HOH B 303 12.370 9.795 -6.076 1.00 27.56 O HETATM 1957 O HOH B 305 5.869 1.993 4.959 1.00 32.23 O HETATM 1958 O HOH B 306 13.920 8.182 2.289 1.00 27.20 O HETATM 1959 O HOH B 309 3.197 -11.674 -3.228 1.00 37.46 O HETATM 1960 O HOH B 313 2.396 -1.022 1.310 1.00 35.71 O HETATM 1961 O HOH B 315 20.148 -10.136 -7.010 1.00 41.09 O HETATM 1962 O HOH B 316 15.384 -11.634 -1.317 1.00 58.45 O HETATM 1963 O HOH B 318 17.161 -5.084 14.910 1.00 30.18 O HETATM 1964 O HOH B 323 24.710 -6.265 1.852 1.00 39.34 O HETATM 1965 O HOH B 325 1.123 -7.622 16.803 1.00 44.41 O CONECT 190 638 CONECT 306 723 CONECT 442 838 CONECT 492 543 CONECT 543 492 CONECT 638 190 CONECT 723 306 CONECT 838 442 CONECT 1138 1586 CONECT 1254 1671 CONECT 1390 1786 CONECT 1440 1491 CONECT 1491 1440 CONECT 1586 1138 CONECT 1671 1254 CONECT 1786 1390 MASTER 302 0 0 8 16 0 0 6 1963 2 16 20 END