HEADER HYDROLASE 31-AUG-01 1JVT TITLE CRYSTAL STRUCTURE OF RIBONUCLEASE A (LIGAND-FREE 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 1JVT 1 VERSN REVDAT 1 05-JUN-02 1JVT 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. 2.05 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) : 2.05 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) (%) : 76.0 REMARK 3 NUMBER OF REFLECTIONS : 11814 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 : 0.240 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1191 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 : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.05 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.14 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 50.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1434 REMARK 3 BIN R VALUE (WORKING SET) : 0.2500 REMARK 3 BIN FREE R VALUE : 0.2900 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 99 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) : 0.015 REMARK 3 BOND ANGLES (DEGREES) : 2.12 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.30 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 1JVT 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 RCSB014241. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-JUN-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 : 14279 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.050 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 (%) : 92.0 REMARK 200 DATA REDUNDANCY : 2.800 REMARK 200 R MERGE (I) : 0.07500 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) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.14 REMARK 200 COMPLETENESS FOR SHELL (%) : 90.0 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: 1AFU REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.70 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.27 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, SODIUM CITRATE, PH 5.00, REMARK 280 VAPOR DIFFUSION, HANGING DROP AT 298K 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 50.72500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.65500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.72500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.65500 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 ILE B 107 CG1 - CB - CG2 ANGL. DEV. = -13.6 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 ARG A 39 173.17 174.89 REMARK 500 GLN A 60 -137.68 -89.54 REMARK 500 ASN A 71 33.92 -92.71 REMARK 500 ASN A 94 72.15 -100.06 REMARK 500 LYS B 37 -75.30 -64.44 REMARK 500 HIS B 48 62.06 -103.43 REMARK 500 GLN B 60 -135.31 -106.96 REMARK 500 ASN B 71 40.18 -100.97 REMARK 500 ASN B 94 79.30 -104.99 REMARK 500 ALA B 122 156.25 177.05 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: 1JVU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RNASE A (COMPLEXED FORM) REMARK 900 RELATED ID: 1JVV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RNASE A (RETRO-SOAKED FORM) DBREF 1JVT A 1 124 UNP P61823 RNAS1_BOVIN 27 150 DBREF 1JVT 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 2.03 SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.01 SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.02 SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.04 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 2.03 CISPEP 1 TYR A 92 PRO A 93 0 0.14 CISPEP 2 ASN A 113 PRO A 114 0 0.18 CISPEP 3 TYR B 92 PRO B 93 0 0.38 CISPEP 4 ASN B 113 PRO B 114 0 0.10 CRYST1 101.450 33.310 73.530 90.00 90.30 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 0.009860 0.000000 0.000050 0.00000 SCALE2 0.000000 0.030020 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013600 0.00000 ATOM 1 N LYS A 1 38.754 -20.078 27.043 1.00 74.03 N ATOM 2 CA LYS A 1 38.591 -18.876 26.174 1.00 72.46 C ATOM 3 C LYS A 1 37.284 -18.163 26.525 1.00 70.52 C ATOM 4 O LYS A 1 36.482 -18.644 27.343 1.00 74.42 O ATOM 5 CB LYS A 1 38.576 -19.273 24.692 1.00 71.63 C ATOM 6 N GLU A 2 37.105 -16.996 25.923 1.00 62.47 N ATOM 7 CA GLU A 2 35.923 -16.184 26.106 1.00 51.49 C ATOM 8 C GLU A 2 35.706 -15.686 24.676 1.00 45.51 C ATOM 9 O GLU A 2 36.683 -15.292 23.988 1.00 42.35 O ATOM 10 CB GLU A 2 36.211 -15.023 27.079 1.00 49.83 C ATOM 11 CG GLU A 2 34.977 -14.190 27.475 1.00 46.16 C ATOM 12 CD GLU A 2 35.261 -12.994 28.411 1.00 43.67 C ATOM 13 OE1 GLU A 2 36.269 -12.276 28.236 1.00 36.52 O ATOM 14 OE2 GLU A 2 34.426 -12.752 29.309 1.00 44.43 O ATOM 15 N THR A 3 34.466 -15.827 24.197 1.00 38.16 N ATOM 16 CA THR A 3 34.111 -15.384 22.854 1.00 33.01 C ATOM 17 C THR A 3 34.055 -13.880 22.825 1.00 28.63 C ATOM 18 O THR A 3 33.808 -13.251 23.853 1.00 27.61 O ATOM 19 CB THR A 3 32.763 -15.957 22.354 1.00 34.78 C ATOM 20 OG1 THR A 3 31.669 -15.327 23.025 1.00 34.97 O ATOM 21 CG2 THR A 3 32.695 -17.465 22.580 1.00 36.87 C ATOM 22 N ALA A 4 34.304 -13.319 21.643 1.00 27.78 N ATOM 23 CA ALA A 4 34.307 -11.872 21.380 1.00 25.53 C ATOM 24 C ALA A 4 33.102 -11.187 21.943 1.00 20.86 C ATOM 25 O ALA A 4 33.183 -10.177 22.615 1.00 19.07 O ATOM 26 CB ALA A 4 34.372 -11.623 19.873 1.00 26.98 C ATOM 27 N ALA A 5 31.978 -11.814 21.675 1.00 21.07 N ATOM 28 CA ALA A 5 30.705 -11.347 22.102 1.00 17.14 C ATOM 29 C ALA A 5 30.549 -11.354 23.622 1.00 16.67 C ATOM 30 O ALA A 5 29.988 -10.408 24.160 1.00 21.37 O ATOM 31 CB ALA A 5 29.667 -12.172 21.440 1.00 16.60 C ATOM 32 N ALA A 6 31.015 -12.405 24.309 1.00 16.94 N ATOM 33 CA ALA A 6 30.933 -12.514 25.784 1.00 12.66 C ATOM 34 C ALA A 6 31.868 -11.517 26.439 1.00 16.55 C ATOM 35 O ALA A 6 31.628 -10.991 27.540 1.00 20.44 O ATOM 36 CB ALA A 6 31.284 -13.925 26.233 1.00 9.52 C ATOM 37 N LYS A 7 32.967 -11.263 25.770 1.00 15.38 N ATOM 38 CA LYS A 7 33.919 -10.313 26.265 1.00 19.66 C ATOM 39 C LYS A 7 33.337 -8.901 26.189 1.00 20.12 C ATOM 40 O LYS A 7 33.563 -8.077 27.079 1.00 23.82 O ATOM 41 CB LYS A 7 35.162 -10.401 25.421 1.00 22.41 C ATOM 42 CG LYS A 7 36.311 -9.540 25.855 1.00 25.97 C ATOM 43 CD LYS A 7 37.445 -9.885 24.950 1.00 31.59 C ATOM 44 CE LYS A 7 38.722 -9.409 25.520 1.00 37.03 C ATOM 45 NZ LYS A 7 39.829 -10.100 24.806 1.00 44.42 N ATOM 46 N PHE A 8 32.559 -8.629 25.154 1.00 18.87 N ATOM 47 CA PHE A 8 31.952 -7.317 24.997 1.00 18.56 C ATOM 48 C PHE A 8 30.939 -7.058 26.102 1.00 16.27 C ATOM 49 O PHE A 8 30.848 -5.957 26.637 1.00 14.74 O ATOM 50 CB PHE A 8 31.301 -7.184 23.595 1.00 17.27 C ATOM 51 CG PHE A 8 30.545 -5.886 23.389 1.00 16.47 C ATOM 52 CD1 PHE A 8 29.190 -5.786 23.745 1.00 15.84 C ATOM 53 CD2 PHE A 8 31.203 -4.751 22.892 1.00 15.54 C ATOM 54 CE1 PHE A 8 28.501 -4.559 23.610 1.00 15.54 C ATOM 55 CE2 PHE A 8 30.529 -3.516 22.756 1.00 18.21 C ATOM 56 CZ PHE A 8 29.166 -3.429 23.120 1.00 18.47 C ATOM 57 N GLU A 9 30.127 -8.059 26.390 1.00 15.56 N ATOM 58 CA GLU A 9 29.149 -7.941 27.438 1.00 20.77 C ATOM 59 C GLU A 9 29.877 -7.745 28.765 1.00 22.07 C ATOM 60 O GLU A 9 29.456 -6.927 29.598 1.00 19.29 O ATOM 61 CB GLU A 9 28.269 -9.189 27.502 1.00 24.55 C ATOM 62 CG GLU A 9 27.544 -9.491 26.194 1.00 28.27 C ATOM 63 CD GLU A 9 26.807 -10.807 26.220 1.00 32.91 C ATOM 64 OE1 GLU A 9 26.456 -11.256 27.342 1.00 36.94 O ATOM 65 OE2 GLU A 9 26.563 -11.384 25.123 1.00 34.52 O ATOM 66 N ARG A 10 30.999 -8.438 28.940 1.00 21.73 N ATOM 67 CA ARG A 10 31.767 -8.299 30.180 1.00 22.36 C ATOM 68 C ARG A 10 32.363 -6.933 30.400 1.00 20.93 C ATOM 69 O ARG A 10 32.394 -6.426 31.514 1.00 22.22 O ATOM 70 CB ARG A 10 32.893 -9.319 30.260 1.00 22.91 C ATOM 71 CG ARG A 10 33.833 -9.051 31.424 1.00 24.60 C ATOM 72 CD ARG A 10 34.744 -10.210 31.660 1.00 24.57 C ATOM 73 NE ARG A 10 35.642 -10.421 30.543 1.00 23.70 N ATOM 74 CZ ARG A 10 36.678 -9.640 30.313 1.00 28.17 C ATOM 75 NH1 ARG A 10 36.897 -8.613 31.124 1.00 26.16 N ATOM 76 NH2 ARG A 10 37.540 -9.943 29.350 1.00 30.61 N ATOM 77 N GLN A 11 32.921 -6.359 29.357 1.00 21.37 N ATOM 78 CA GLN A 11 33.522 -5.065 29.528 1.00 19.96 C ATOM 79 C GLN A 11 32.620 -3.845 29.318 1.00 18.31 C ATOM 80 O GLN A 11 32.937 -2.765 29.806 1.00 16.94 O ATOM 81 CB GLN A 11 34.686 -4.951 28.593 1.00 21.51 C ATOM 82 CG GLN A 11 35.621 -6.064 28.664 1.00 23.36 C ATOM 83 CD GLN A 11 36.694 -5.833 27.668 1.00 28.80 C ATOM 84 OE1 GLN A 11 37.863 -5.865 28.012 1.00 31.99 O ATOM 85 NE2 GLN A 11 36.314 -5.553 26.413 1.00 28.45 N ATOM 86 N HIS A 12 31.496 -4.018 28.622 1.00 16.39 N ATOM 87 CA HIS A 12 30.639 -2.872 28.290 1.00 16.54 C ATOM 88 C HIS A 12 29.171 -2.847 28.709 1.00 16.28 C ATOM 89 O HIS A 12 28.560 -1.796 28.694 1.00 18.34 O ATOM 90 CB HIS A 12 30.731 -2.635 26.785 1.00 14.70 C ATOM 91 CG HIS A 12 32.128 -2.400 26.319 1.00 15.78 C ATOM 92 ND1 HIS A 12 32.840 -1.266 26.653 1.00 16.83 N ATOM 93 CD2 HIS A 12 32.963 -3.162 25.580 1.00 16.01 C ATOM 94 CE1 HIS A 12 34.053 -1.339 26.134 1.00 14.92 C ATOM 95 NE2 HIS A 12 34.152 -2.478 25.478 1.00 14.26 N ATOM 96 N MET A 13 28.607 -3.989 29.055 1.00 14.06 N ATOM 97 CA MET A 13 27.215 -4.052 29.429 1.00 14.26 C ATOM 98 C MET A 13 26.927 -3.992 30.931 1.00 15.78 C ATOM 99 O MET A 13 27.487 -4.736 31.707 1.00 15.73 O ATOM 100 CB MET A 13 26.569 -5.338 28.871 1.00 13.96 C ATOM 101 CG MET A 13 26.473 -5.446 27.340 1.00 15.26 C ATOM 102 SD MET A 13 25.547 -4.062 26.632 1.00 23.54 S ATOM 103 CE MET A 13 23.973 -4.219 27.516 1.00 25.89 C ATOM 104 N ASP A 14 26.120 -3.023 31.325 1.00 19.18 N ATOM 105 CA ASP A 14 25.626 -2.939 32.687 1.00 20.67 C ATOM 106 C ASP A 14 24.137 -2.488 32.660 1.00 18.92 C ATOM 107 O ASP A 14 23.800 -1.305 32.833 1.00 16.62 O ATOM 108 CB ASP A 14 26.475 -2.058 33.586 1.00 23.47 C ATOM 109 CG ASP A 14 25.926 -2.002 34.973 1.00 25.08 C ATOM 110 OD1 ASP A 14 25.187 -2.938 35.313 1.00 25.61 O ATOM 111 OD2 ASP A 14 26.203 -1.040 35.717 1.00 28.75 O ATOM 112 N SER A 15 23.254 -3.457 32.426 1.00 22.13 N ATOM 113 CA SER A 15 21.808 -3.220 32.351 1.00 28.24 C ATOM 114 C SER A 15 21.101 -3.040 33.717 1.00 33.36 C ATOM 115 O SER A 15 20.021 -2.432 33.792 1.00 38.50 O ATOM 116 CB SER A 15 21.142 -4.361 31.580 1.00 30.19 C ATOM 117 OG SER A 15 21.785 -4.625 30.337 1.00 30.31 O ATOM 118 N SER A 16 21.690 -3.585 34.780 1.00 37.12 N ATOM 119 CA SER A 16 21.148 -3.483 36.144 1.00 43.47 C ATOM 120 C SER A 16 20.986 -2.028 36.637 1.00 47.79 C ATOM 121 O SER A 16 20.313 -1.783 37.644 1.00 54.16 O ATOM 122 CB SER A 16 22.043 -4.262 37.121 1.00 42.30 C ATOM 123 OG SER A 16 22.635 -5.403 36.478 1.00 46.90 O ATOM 124 N THR A 17 21.630 -1.065 35.974 1.00 48.35 N ATOM 125 CA THR A 17 21.516 0.343 36.368 1.00 47.28 C ATOM 126 C THR A 17 21.136 1.194 35.154 1.00 46.15 C ATOM 127 O THR A 17 21.566 0.944 34.034 1.00 43.08 O ATOM 128 CB THR A 17 22.830 0.925 36.996 1.00 46.72 C ATOM 129 OG1 THR A 17 23.774 1.238 35.965 1.00 45.51 O ATOM 130 CG2 THR A 17 23.471 -0.078 37.944 1.00 48.68 C ATOM 131 N SER A 18 20.319 2.208 35.387 1.00 47.65 N ATOM 132 CA SER A 18 19.930 3.079 34.290 1.00 49.49 C ATOM 133 C SER A 18 20.978 4.185 34.029 1.00 46.27 C ATOM 134 O SER A 18 21.049 4.733 32.924 1.00 42.19 O ATOM 135 CB SER A 18 18.516 3.659 34.530 1.00 52.14 C ATOM 136 OG SER A 18 18.312 4.036 35.887 1.00 57.79 O ATOM 137 N ALA A 19 21.796 4.467 35.046 1.00 46.03 N ATOM 138 CA ALA A 19 22.843 5.495 34.952 1.00 48.79 C ATOM 139 C ALA A 19 24.033 5.144 35.849 1.00 51.99 C ATOM 140 O ALA A 19 24.113 4.039 36.404 1.00 54.44 O ATOM 141 CB ALA A 19 22.290 6.862 35.332 1.00 44.12 C ATOM 142 N ALA A 20 24.986 6.063 35.940 1.00 55.14 N ATOM 143 CA ALA A 20 26.168 5.851 36.763 1.00 59.65 C ATOM 144 C ALA A 20 25.740 6.204 38.159 1.00 63.76 C ATOM 145 O ALA A 20 25.530 7.386 38.468 1.00 65.40 O ATOM 146 CB ALA A 20 27.305 6.757 36.324 1.00 58.61 C ATOM 147 N SER A 21 25.604 5.178 38.991 1.00 70.10 N ATOM 148 CA SER A 21 25.167 5.338 40.378 1.00 75.70 C ATOM 149 C SER A 21 25.771 6.528 41.203 1.00 76.29 C ATOM 150 O SER A 21 25.023 7.414 41.707 1.00 79.08 O ATOM 151 CB SER A 21 25.266 3.977 41.121 1.00 76.56 C ATOM 152 OG SER A 21 26.251 3.097 40.578 1.00 76.67 O ATOM 153 N SER A 22 27.101 6.570 41.303 1.00 70.63 N ATOM 154 CA SER A 22 27.797 7.616 42.054 1.00 64.84 C ATOM 155 C SER A 22 29.229 7.662 41.574 1.00 60.73 C ATOM 156 O SER A 22 29.580 6.969 40.619 1.00 60.16 O ATOM 157 CB SER A 22 27.758 7.308 43.567 1.00 64.33 C ATOM 158 OG SER A 22 28.219 5.987 43.868 1.00 62.54 O ATOM 159 N SER A 23 30.045 8.449 42.281 1.00 56.25 N ATOM 160 CA SER A 23 31.486 8.612 42.016 1.00 46.74 C ATOM 161 C SER A 23 32.228 7.262 42.141 1.00 40.27 C ATOM 162 O SER A 23 33.213 7.012 41.481 1.00 43.75 O ATOM 163 CB SER A 23 32.068 9.655 42.994 1.00 42.73 C ATOM 164 OG SER A 23 31.404 9.591 44.254 1.00 36.75 O ATOM 165 N ASN A 24 31.687 6.399 42.976 1.00 37.21 N ATOM 166 CA ASN A 24 32.182 5.047 43.252 1.00 38.53 C ATOM 167 C ASN A 24 32.068 4.061 42.089 1.00 32.13 C ATOM 168 O ASN A 24 32.791 3.077 42.044 1.00 30.84 O ATOM 169 CB ASN A 24 31.296 4.462 44.355 1.00 47.60 C ATOM 170 CG ASN A 24 32.040 4.178 45.627 1.00 53.71 C ATOM 171 OD1 ASN A 24 33.263 3.918 45.611 1.00 56.39 O ATOM 172 ND2 ASN A 24 31.302 4.179 46.748 1.00 54.41 N ATOM 173 N TYR A 25 31.066 4.270 41.242 1.00 28.13 N ATOM 174 CA TYR A 25 30.767 3.375 40.142 1.00 23.07 C ATOM 175 C TYR A 25 31.926 2.776 39.360 1.00 20.53 C ATOM 176 O TYR A 25 32.028 1.556 39.275 1.00 21.61 O ATOM 177 CB TYR A 25 29.781 4.011 39.178 1.00 24.94 C ATOM 178 CG TYR A 25 29.340 3.047 38.093 1.00 25.30 C ATOM 179 CD1 TYR A 25 28.341 2.086 38.344 1.00 25.37 C ATOM 180 CD2 TYR A 25 29.884 3.111 36.805 1.00 23.22 C ATOM 181 CE1 TYR A 25 27.887 1.230 37.332 1.00 23.63 C ATOM 182 CE2 TYR A 25 29.438 2.243 35.779 1.00 20.24 C ATOM 183 CZ TYR A 25 28.446 1.319 36.045 1.00 21.32 C ATOM 184 OH TYR A 25 28.000 0.483 35.044 1.00 18.18 O ATOM 185 N CYS A 26 32.780 3.610 38.773 1.00 23.42 N ATOM 186 CA CYS A 26 33.928 3.138 37.976 1.00 24.68 C ATOM 187 C CYS A 26 34.992 2.289 38.715 1.00 24.49 C ATOM 188 O CYS A 26 35.401 1.215 38.227 1.00 22.83 O ATOM 189 CB CYS A 26 34.547 4.302 37.208 1.00 22.03 C ATOM 190 SG CYS A 26 33.415 4.863 35.891 1.00 26.27 S ATOM 191 N ASN A 27 35.352 2.700 39.924 1.00 26.41 N ATOM 192 CA ASN A 27 36.319 1.946 40.735 1.00 29.24 C ATOM 193 C ASN A 27 35.858 0.539 41.017 1.00 30.69 C ATOM 194 O ASN A 27 36.655 -0.384 41.124 1.00 30.06 O ATOM 195 CB ASN A 27 36.491 2.591 42.086 1.00 28.42 C ATOM 196 CG ASN A 27 37.054 3.940 41.998 1.00 29.41 C ATOM 197 OD1 ASN A 27 37.863 4.233 41.122 1.00 28.31 O ATOM 198 ND2 ASN A 27 36.625 4.806 42.902 1.00 34.28 N ATOM 199 N GLN A 28 34.562 0.410 41.279 1.00 35.52 N ATOM 200 CA GLN A 28 33.962 -0.894 41.576 1.00 36.22 C ATOM 201 C GLN A 28 33.727 -1.727 40.309 1.00 28.09 C ATOM 202 O GLN A 28 34.140 -2.885 40.260 1.00 25.62 O ATOM 203 CB GLN A 28 32.684 -0.713 42.425 1.00 41.10 C ATOM 204 CG GLN A 28 32.941 0.049 43.755 1.00 50.84 C ATOM 205 CD GLN A 28 31.666 0.684 44.369 1.00 57.88 C ATOM 206 OE1 GLN A 28 30.771 1.121 43.637 1.00 64.17 O ATOM 207 NE2 GLN A 28 31.600 0.763 45.710 1.00 56.15 N ATOM 208 N MET A 29 33.149 -1.113 39.270 1.00 24.47 N ATOM 209 CA MET A 29 32.881 -1.791 37.989 1.00 20.22 C ATOM 210 C MET A 29 34.106 -2.254 37.234 1.00 17.21 C ATOM 211 O MET A 29 34.137 -3.365 36.784 1.00 16.07 O ATOM 212 CB MET A 29 32.026 -0.919 37.093 1.00 21.87 C ATOM 213 CG MET A 29 30.583 -0.930 37.524 1.00 22.49 C ATOM 214 SD MET A 29 29.848 -2.561 37.642 1.00 28.37 S ATOM 215 CE MET A 29 29.332 -2.871 35.925 1.00 27.53 C ATOM 216 N MET A 30 35.107 -1.391 37.107 1.00 17.37 N ATOM 217 CA MET A 30 36.371 -1.731 36.450 1.00 21.94 C ATOM 218 C MET A 30 37.041 -2.942 37.109 1.00 22.26 C ATOM 219 O MET A 30 37.584 -3.825 36.439 1.00 20.11 O ATOM 220 CB MET A 30 37.323 -0.542 36.507 1.00 19.84 C ATOM 221 CG MET A 30 36.900 0.628 35.615 1.00 23.42 C ATOM 222 SD MET A 30 36.604 0.204 33.851 1.00 26.32 S ATOM 223 CE MET A 30 38.323 0.122 33.178 1.00 28.70 C ATOM 224 N LYS A 31 37.022 -2.956 38.427 1.00 22.92 N ATOM 225 CA LYS A 31 37.579 -4.054 39.162 1.00 28.53 C ATOM 226 C LYS A 31 36.743 -5.333 39.013 1.00 28.84 C ATOM 227 O LYS A 31 37.278 -6.403 38.681 1.00 31.21 O ATOM 228 CB LYS A 31 37.714 -3.672 40.628 1.00 34.35 C ATOM 229 CG LYS A 31 38.672 -4.601 41.389 1.00 42.90 C ATOM 230 CD LYS A 31 39.061 -4.089 42.785 1.00 48.13 C ATOM 231 CE LYS A 31 39.878 -5.152 43.525 1.00 54.29 C ATOM 232 NZ LYS A 31 39.966 -4.899 44.993 1.00 59.04 N ATOM 233 N SER A 32 35.436 -5.211 39.249 1.00 26.51 N ATOM 234 CA SER A 32 34.488 -6.310 39.130 1.00 24.53 C ATOM 235 C SER A 32 34.581 -7.048 37.801 1.00 24.29 C ATOM 236 O SER A 32 34.488 -8.292 37.760 1.00 26.42 O ATOM 237 CB SER A 32 33.061 -5.777 39.228 1.00 27.70 C ATOM 238 OG SER A 32 32.836 -5.072 40.425 1.00 35.61 O ATOM 239 N ARG A 33 34.644 -6.281 36.709 1.00 20.72 N ATOM 240 CA ARG A 33 34.697 -6.854 35.354 1.00 23.24 C ATOM 241 C ARG A 33 36.085 -7.320 34.930 1.00 26.08 C ATOM 242 O ARG A 33 36.273 -7.788 33.810 1.00 23.00 O ATOM 243 CB ARG A 33 34.105 -5.876 34.307 1.00 21.18 C ATOM 244 CG ARG A 33 32.643 -5.497 34.552 1.00 19.64 C ATOM 245 CD ARG A 33 31.717 -6.737 34.619 1.00 21.37 C ATOM 246 NE ARG A 33 30.324 -6.375 34.926 1.00 25.08 N ATOM 247 CZ ARG A 33 29.447 -5.853 34.049 1.00 27.18 C ATOM 248 NH1 ARG A 33 29.798 -5.638 32.790 1.00 26.32 N ATOM 249 NH2 ARG A 33 28.236 -5.449 34.442 1.00 25.62 N ATOM 250 N ASN A 34 37.031 -7.221 35.866 1.00 31.82 N ATOM 251 CA ASN A 34 38.406 -7.621 35.675 1.00 35.81 C ATOM 252 C ASN A 34 39.117 -6.770 34.672 1.00 36.03 C ATOM 253 O ASN A 34 40.047 -7.241 33.998 1.00 38.16 O ATOM 254 CB ASN A 34 38.513 -9.087 35.278 1.00 44.15 C ATOM 255 CG ASN A 34 38.585 -9.989 36.472 1.00 51.08 C ATOM 256 OD1 ASN A 34 39.498 -9.871 37.305 1.00 55.65 O ATOM 257 ND2 ASN A 34 37.605 -10.881 36.596 1.00 54.18 N ATOM 258 N LEU A 35 38.719 -5.502 34.613 1.00 31.99 N ATOM 259 CA LEU A 35 39.316 -4.570 33.687 1.00 29.18 C ATOM 260 C LEU A 35 40.556 -3.891 34.289 1.00 29.22 C ATOM 261 O LEU A 35 41.258 -3.161 33.608 1.00 29.55 O ATOM 262 CB LEU A 35 38.269 -3.562 33.188 1.00 28.32 C ATOM 263 CG LEU A 35 36.993 -4.154 32.605 1.00 23.97 C ATOM 264 CD1 LEU A 35 36.191 -3.056 31.961 1.00 27.21 C ATOM 265 CD2 LEU A 35 37.349 -5.160 31.560 1.00 27.96 C ATOM 266 N THR A 36 40.821 -4.131 35.565 1.00 30.54 N ATOM 267 CA THR A 36 42.012 -3.584 36.182 1.00 35.36 C ATOM 268 C THR A 36 42.875 -4.764 36.680 1.00 42.73 C ATOM 269 O THR A 36 43.525 -4.692 37.724 1.00 44.29 O ATOM 270 CB THR A 36 41.666 -2.658 37.321 1.00 31.21 C ATOM 271 OG1 THR A 36 40.919 -3.377 38.301 1.00 35.02 O ATOM 272 CG2 THR A 36 40.875 -1.486 36.803 1.00 27.62 C ATOM 273 N LYS A 37 42.922 -5.824 35.872 1.00 46.88 N ATOM 274 CA LYS A 37 43.654 -7.045 36.203 1.00 50.41 C ATOM 275 C LYS A 37 45.127 -7.156 35.809 1.00 48.89 C ATOM 276 O LYS A 37 45.929 -7.706 36.553 1.00 50.22 O ATOM 277 CB LYS A 37 42.926 -8.273 35.635 1.00 54.87 C ATOM 278 CG LYS A 37 43.602 -9.560 36.084 1.00 61.00 C ATOM 279 CD LYS A 37 43.237 -10.807 35.313 1.00 64.86 C ATOM 280 CE LYS A 37 44.080 -11.963 35.870 1.00 68.52 C ATOM 281 NZ LYS A 37 43.283 -13.169 36.281 1.00 71.16 N ATOM 282 N ASP A 38 45.452 -6.750 34.595 1.00 47.54 N ATOM 283 CA ASP A 38 46.817 -6.854 34.106 1.00 47.34 C ATOM 284 C ASP A 38 47.496 -5.484 33.941 1.00 45.01 C ATOM 285 O ASP A 38 48.682 -5.371 33.606 1.00 46.52 O ATOM 286 CB ASP A 38 46.790 -7.619 32.769 1.00 51.39 C ATOM 287 CG ASP A 38 46.325 -9.094 32.912 1.00 54.36 C ATOM 288 OD1 ASP A 38 46.080 -9.584 34.042 1.00 55.63 O ATOM 289 OD2 ASP A 38 46.218 -9.774 31.866 1.00 55.29 O ATOM 290 N ARG A 39 46.710 -4.448 34.173 1.00 41.51 N ATOM 291 CA ARG A 39 47.112 -3.051 34.062 1.00 39.89 C ATOM 292 C ARG A 39 45.814 -2.297 34.304 1.00 37.46 C ATOM 293 O ARG A 39 44.769 -2.921 34.483 1.00 35.52 O ATOM 294 CB ARG A 39 47.630 -2.743 32.655 1.00 41.20 C ATOM 295 CG ARG A 39 46.765 -3.273 31.535 1.00 45.74 C ATOM 296 CD ARG A 39 47.514 -3.276 30.183 1.00 49.79 C ATOM 297 NE ARG A 39 47.531 -1.939 29.618 1.00 51.75 N ATOM 298 CZ ARG A 39 46.521 -1.385 28.945 1.00 53.46 C ATOM 299 NH1 ARG A 39 45.389 -2.042 28.702 1.00 54.43 N ATOM 300 NH2 ARG A 39 46.593 -0.103 28.627 1.00 55.52 N ATOM 301 N CYS A 40 45.863 -0.983 34.406 1.00 33.22 N ATOM 302 CA CYS A 40 44.616 -0.262 34.579 1.00 27.99 C ATOM 303 C CYS A 40 44.160 0.101 33.149 1.00 28.94 C ATOM 304 O CYS A 40 44.856 0.869 32.429 1.00 26.72 O ATOM 305 CB CYS A 40 44.828 1.012 35.373 1.00 25.90 C ATOM 306 SG CYS A 40 45.641 0.781 36.962 1.00 28.45 S ATOM 307 N LYS A 41 43.045 -0.479 32.699 1.00 24.26 N ATOM 308 CA LYS A 41 42.578 -0.148 31.376 1.00 20.81 C ATOM 309 C LYS A 41 42.354 1.320 31.498 1.00 21.85 C ATOM 310 O LYS A 41 41.691 1.767 32.422 1.00 24.86 O ATOM 311 CB LYS A 41 41.302 -0.857 31.041 1.00 21.87 C ATOM 312 CG LYS A 41 40.828 -0.497 29.658 1.00 23.83 C ATOM 313 CD LYS A 41 39.633 -1.327 29.216 1.00 26.67 C ATOM 314 CE LYS A 41 39.136 -0.818 27.850 1.00 30.57 C ATOM 315 NZ LYS A 41 37.972 -1.558 27.299 1.00 32.91 N ATOM 316 N PRO A 42 42.992 2.101 30.622 1.00 26.09 N ATOM 317 CA PRO A 42 42.936 3.563 30.560 1.00 27.57 C ATOM 318 C PRO A 42 41.527 4.170 30.592 1.00 30.38 C ATOM 319 O PRO A 42 41.266 5.059 31.401 1.00 33.02 O ATOM 320 CB PRO A 42 43.627 3.868 29.248 1.00 26.30 C ATOM 321 CG PRO A 42 44.450 2.688 28.992 1.00 26.57 C ATOM 322 CD PRO A 42 43.613 1.564 29.407 1.00 24.68 C ATOM 323 N VAL A 43 40.654 3.733 29.675 1.00 30.37 N ATOM 324 CA VAL A 43 39.256 4.212 29.573 1.00 28.02 C ATOM 325 C VAL A 43 38.325 3.052 29.238 1.00 25.21 C ATOM 326 O VAL A 43 38.707 2.113 28.536 1.00 25.02 O ATOM 327 CB VAL A 43 39.016 5.285 28.419 1.00 28.04 C ATOM 328 CG1 VAL A 43 40.111 6.329 28.369 1.00 28.96 C ATOM 329 CG2 VAL A 43 38.902 4.614 27.076 1.00 23.37 C ATOM 330 N ASN A 44 37.086 3.153 29.684 1.00 24.08 N ATOM 331 CA ASN A 44 36.109 2.125 29.380 1.00 21.36 C ATOM 332 C ASN A 44 34.753 2.744 29.539 1.00 22.29 C ATOM 333 O ASN A 44 34.583 3.561 30.423 1.00 22.90 O ATOM 334 CB ASN A 44 36.235 0.953 30.339 1.00 16.77 C ATOM 335 CG ASN A 44 35.455 -0.233 29.876 1.00 15.27 C ATOM 336 OD1 ASN A 44 35.656 -0.720 28.782 1.00 17.20 O ATOM 337 ND2 ASN A 44 34.565 -0.716 30.703 1.00 13.47 N ATOM 338 N THR A 45 33.813 2.347 28.685 1.00 20.13 N ATOM 339 CA THR A 45 32.420 2.819 28.689 1.00 18.53 C ATOM 340 C THR A 45 31.452 1.653 28.995 1.00 20.18 C ATOM 341 O THR A 45 31.613 0.547 28.459 1.00 18.95 O ATOM 342 CB THR A 45 32.054 3.363 27.299 1.00 19.01 C ATOM 343 OG1 THR A 45 32.838 4.524 27.031 1.00 19.90 O ATOM 344 CG2 THR A 45 30.527 3.668 27.170 1.00 19.31 C ATOM 345 N PHE A 46 30.463 1.888 29.863 1.00 18.52 N ATOM 346 CA PHE A 46 29.472 0.863 30.193 1.00 18.13 C ATOM 347 C PHE A 46 28.154 1.412 29.634 1.00 19.92 C ATOM 348 O PHE A 46 27.883 2.606 29.775 1.00 18.18 O ATOM 349 CB PHE A 46 29.371 0.648 31.726 1.00 16.37 C ATOM 350 CG PHE A 46 30.527 -0.168 32.319 1.00 16.94 C ATOM 351 CD1 PHE A 46 30.468 -1.570 32.363 1.00 18.97 C ATOM 352 CD2 PHE A 46 31.653 0.462 32.852 1.00 16.31 C ATOM 353 CE1 PHE A 46 31.515 -2.338 32.935 1.00 17.45 C ATOM 354 CE2 PHE A 46 32.692 -0.294 33.424 1.00 16.25 C ATOM 355 CZ PHE A 46 32.619 -1.687 33.464 1.00 13.55 C ATOM 356 N VAL A 47 27.382 0.542 28.978 1.00 17.18 N ATOM 357 CA VAL A 47 26.090 0.865 28.383 1.00 17.94 C ATOM 358 C VAL A 47 24.983 0.283 29.268 1.00 15.38 C ATOM 359 O VAL A 47 24.982 -0.904 29.532 1.00 15.81 O ATOM 360 CB VAL A 47 25.969 0.272 26.948 1.00 16.50 C ATOM 361 CG1 VAL A 47 24.607 0.572 26.339 1.00 14.21 C ATOM 362 CG2 VAL A 47 27.115 0.819 26.063 1.00 15.68 C ATOM 363 N HIS A 48 24.080 1.136 29.751 1.00 18.34 N ATOM 364 CA HIS A 48 22.965 0.722 30.620 1.00 19.54 C ATOM 365 C HIS A 48 21.748 0.575 29.791 1.00 19.11 C ATOM 366 O HIS A 48 20.858 1.412 29.883 1.00 26.64 O ATOM 367 CB HIS A 48 22.654 1.779 31.671 1.00 16.00 C ATOM 368 CG HIS A 48 23.855 2.231 32.438 1.00 16.91 C ATOM 369 ND1 HIS A 48 24.528 1.406 33.306 1.00 18.61 N ATOM 370 CD2 HIS A 48 24.497 3.419 32.473 1.00 14.45 C ATOM 371 CE1 HIS A 48 25.535 2.062 33.850 1.00 18.93 C ATOM 372 NE2 HIS A 48 25.538 3.286 33.360 1.00 17.49 N ATOM 373 N GLU A 49 21.735 -0.416 28.914 1.00 18.74 N ATOM 374 CA GLU A 49 20.588 -0.641 28.040 1.00 18.50 C ATOM 375 C GLU A 49 20.408 -2.119 28.006 1.00 18.98 C ATOM 376 O GLU A 49 21.285 -2.842 28.473 1.00 25.75 O ATOM 377 CB GLU A 49 20.847 -0.082 26.638 1.00 20.31 C ATOM 378 CG GLU A 49 20.988 1.458 26.615 1.00 18.32 C ATOM 379 CD GLU A 49 19.673 2.224 26.936 1.00 22.24 C ATOM 380 OE1 GLU A 49 18.577 1.659 26.733 1.00 24.83 O ATOM 381 OE2 GLU A 49 19.714 3.404 27.363 1.00 20.83 O ATOM 382 N SER A 50 19.280 -2.600 27.517 1.00 15.56 N ATOM 383 CA SER A 50 19.123 -4.022 27.486 1.00 16.08 C ATOM 384 C SER A 50 20.077 -4.516 26.464 1.00 20.52 C ATOM 385 O SER A 50 20.505 -3.794 25.570 1.00 26.57 O ATOM 386 CB SER A 50 17.692 -4.452 27.117 1.00 19.58 C ATOM 387 OG SER A 50 17.294 -4.102 25.816 1.00 18.75 O ATOM 388 N LEU A 51 20.375 -5.791 26.560 1.00 23.31 N ATOM 389 CA LEU A 51 21.273 -6.395 25.628 1.00 22.62 C ATOM 390 C LEU A 51 20.634 -6.460 24.228 1.00 22.16 C ATOM 391 O LEU A 51 21.322 -6.290 23.246 1.00 21.20 O ATOM 392 CB LEU A 51 21.640 -7.752 26.166 1.00 22.49 C ATOM 393 CG LEU A 51 22.507 -8.626 25.315 1.00 21.40 C ATOM 394 CD1 LEU A 51 23.822 -7.951 25.066 1.00 18.34 C ATOM 395 CD2 LEU A 51 22.628 -9.934 26.103 1.00 24.06 C ATOM 396 N ALA A 52 19.320 -6.700 24.144 1.00 22.09 N ATOM 397 CA ALA A 52 18.614 -6.741 22.856 1.00 18.22 C ATOM 398 C ALA A 52 18.738 -5.389 22.188 1.00 15.01 C ATOM 399 O ALA A 52 18.808 -5.306 20.979 1.00 16.37 O ATOM 400 CB ALA A 52 17.099 -7.090 23.042 1.00 15.82 C ATOM 401 N ASP A 53 18.679 -4.323 22.968 1.00 15.50 N ATOM 402 CA ASP A 53 18.824 -2.999 22.400 1.00 20.56 C ATOM 403 C ASP A 53 20.225 -2.706 21.853 1.00 18.91 C ATOM 404 O ASP A 53 20.389 -2.071 20.811 1.00 17.29 O ATOM 405 CB ASP A 53 18.426 -1.954 23.402 1.00 18.39 C ATOM 406 CG ASP A 53 16.951 -1.784 23.452 1.00 25.33 C ATOM 407 OD1 ASP A 53 16.252 -2.533 22.734 1.00 27.91 O ATOM 408 OD2 ASP A 53 16.488 -0.913 24.211 1.00 26.82 O ATOM 409 N VAL A 54 21.234 -3.119 22.589 1.00 20.69 N ATOM 410 CA VAL A 54 22.577 -2.910 22.111 1.00 18.79 C ATOM 411 C VAL A 54 22.850 -3.764 20.858 1.00 15.10 C ATOM 412 O VAL A 54 23.430 -3.276 19.914 1.00 18.30 O ATOM 413 CB VAL A 54 23.552 -3.149 23.239 1.00 19.11 C ATOM 414 CG1 VAL A 54 25.002 -3.006 22.743 1.00 19.52 C ATOM 415 CG2 VAL A 54 23.229 -2.169 24.352 1.00 19.45 C ATOM 416 N GLN A 55 22.384 -5.009 20.828 1.00 13.47 N ATOM 417 CA GLN A 55 22.573 -5.874 19.654 1.00 15.24 C ATOM 418 C GLN A 55 21.876 -5.395 18.408 1.00 17.04 C ATOM 419 O GLN A 55 22.366 -5.620 17.309 1.00 19.29 O ATOM 420 CB GLN A 55 22.086 -7.266 19.909 1.00 15.88 C ATOM 421 CG GLN A 55 22.953 -8.049 20.861 1.00 20.56 C ATOM 422 CD GLN A 55 22.271 -9.319 21.279 1.00 25.33 C ATOM 423 OE1 GLN A 55 22.919 -10.298 21.630 1.00 28.73 O ATOM 424 NE2 GLN A 55 20.939 -9.321 21.221 1.00 27.70 N ATOM 425 N ALA A 56 20.720 -4.754 18.569 1.00 18.19 N ATOM 426 CA ALA A 56 19.975 -4.225 17.435 1.00 17.16 C ATOM 427 C ALA A 56 20.783 -3.115 16.794 1.00 20.34 C ATOM 428 O ALA A 56 20.481 -2.709 15.667 1.00 15.56 O ATOM 429 CB ALA A 56 18.645 -3.671 17.874 1.00 18.11 C ATOM 430 N VAL A 57 21.788 -2.597 17.521 1.00 19.32 N ATOM 431 CA VAL A 57 22.630 -1.538 16.972 1.00 17.12 C ATOM 432 C VAL A 57 23.359 -2.053 15.676 1.00 16.45 C ATOM 433 O VAL A 57 23.600 -1.284 14.756 1.00 11.30 O ATOM 434 CB VAL A 57 23.629 -0.963 18.013 1.00 16.08 C ATOM 435 CG1 VAL A 57 24.587 -0.007 17.324 1.00 15.90 C ATOM 436 CG2 VAL A 57 22.908 -0.218 19.102 1.00 13.72 C ATOM 437 N CYS A 58 23.535 -3.369 15.547 1.00 14.87 N ATOM 438 CA CYS A 58 24.204 -3.931 14.392 1.00 13.43 C ATOM 439 C CYS A 58 23.374 -3.826 13.129 1.00 15.64 C ATOM 440 O CYS A 58 23.875 -4.091 12.044 1.00 15.26 O ATOM 441 CB CYS A 58 24.608 -5.381 14.651 1.00 12.63 C ATOM 442 SG CYS A 58 25.786 -5.575 16.012 1.00 15.24 S ATOM 443 N SER A 59 22.111 -3.434 13.245 1.00 12.93 N ATOM 444 CA SER A 59 21.316 -3.297 12.049 1.00 14.32 C ATOM 445 C SER A 59 21.047 -1.845 11.876 1.00 13.54 C ATOM 446 O SER A 59 20.211 -1.469 11.053 1.00 14.49 O ATOM 447 CB SER A 59 19.993 -4.051 12.162 1.00 17.23 C ATOM 448 OG SER A 59 19.185 -3.536 13.224 1.00 28.03 O ATOM 449 N GLN A 60 21.708 -1.009 12.668 1.00 9.61 N ATOM 450 CA GLN A 60 21.446 0.420 12.548 1.00 7.79 C ATOM 451 C GLN A 60 22.293 1.183 11.563 1.00 14.87 C ATOM 452 O GLN A 60 22.516 0.684 10.459 1.00 16.87 O ATOM 453 CB GLN A 60 21.346 1.061 13.904 1.00 8.51 C ATOM 454 CG GLN A 60 20.004 0.629 14.501 1.00 14.58 C ATOM 455 CD GLN A 60 19.809 0.932 15.962 1.00 15.00 C ATOM 456 OE1 GLN A 60 20.225 1.957 16.468 1.00 17.12 O ATOM 457 NE2 GLN A 60 19.100 0.047 16.641 1.00 17.63 N ATOM 458 N LYS A 61 22.764 2.381 11.913 1.00 16.00 N ATOM 459 CA LYS A 61 23.555 3.150 10.979 1.00 13.41 C ATOM 460 C LYS A 61 25.031 2.740 10.807 1.00 15.80 C ATOM 461 O LYS A 61 25.872 2.975 11.679 1.00 17.70 O ATOM 462 CB LYS A 61 23.482 4.596 11.368 1.00 15.30 C ATOM 463 CG LYS A 61 24.058 5.531 10.339 1.00 17.67 C ATOM 464 CD LYS A 61 24.432 6.761 11.076 1.00 23.47 C ATOM 465 CE LYS A 61 24.629 7.918 10.166 1.00 29.39 C ATOM 466 NZ LYS A 61 24.535 9.138 11.030 1.00 35.87 N ATOM 467 N ASN A 62 25.363 2.208 9.640 1.00 17.14 N ATOM 468 CA ASN A 62 26.727 1.770 9.337 1.00 17.74 C ATOM 469 C ASN A 62 27.661 2.954 9.103 1.00 18.08 C ATOM 470 O ASN A 62 27.385 3.830 8.290 1.00 16.25 O ATOM 471 CB ASN A 62 26.717 0.868 8.122 1.00 19.28 C ATOM 472 CG ASN A 62 28.078 0.369 7.770 1.00 22.75 C ATOM 473 OD1 ASN A 62 28.374 0.251 6.617 1.00 29.01 O ATOM 474 ND2 ASN A 62 28.906 0.052 8.758 1.00 24.05 N ATOM 475 N VAL A 63 28.760 2.974 9.832 1.00 14.15 N ATOM 476 CA VAL A 63 29.692 4.065 9.749 1.00 12.65 C ATOM 477 C VAL A 63 31.113 3.457 9.770 1.00 14.41 C ATOM 478 O VAL A 63 31.286 2.310 10.121 1.00 15.73 O ATOM 479 CB VAL A 63 29.487 5.081 10.970 1.00 11.85 C ATOM 480 CG1 VAL A 63 28.117 5.756 10.911 1.00 10.03 C ATOM 481 CG2 VAL A 63 29.628 4.352 12.344 1.00 9.08 C ATOM 482 N ALA A 64 32.120 4.237 9.403 1.00 14.53 N ATOM 483 CA ALA A 64 33.501 3.769 9.413 1.00 15.58 C ATOM 484 C ALA A 64 34.030 3.629 10.844 1.00 13.35 C ATOM 485 O ALA A 64 33.738 4.466 11.689 1.00 14.14 O ATOM 486 CB ALA A 64 34.423 4.764 8.598 1.00 13.43 C ATOM 487 N CYS A 65 34.794 2.571 11.119 1.00 13.32 N ATOM 488 CA CYS A 65 35.368 2.397 12.435 1.00 8.82 C ATOM 489 C CYS A 65 36.559 3.240 12.475 1.00 11.94 C ATOM 490 O CYS A 65 37.133 3.582 11.428 1.00 11.38 O ATOM 491 CB CYS A 65 35.832 0.984 12.672 1.00 10.22 C ATOM 492 SG CYS A 65 34.538 -0.259 12.578 1.00 16.95 S ATOM 493 N LYS A 66 36.984 3.538 13.687 1.00 13.27 N ATOM 494 CA LYS A 66 38.165 4.353 13.860 1.00 17.84 C ATOM 495 C LYS A 66 39.408 3.763 13.141 1.00 19.29 C ATOM 496 O LYS A 66 40.263 4.499 12.667 1.00 21.39 O ATOM 497 CB LYS A 66 38.446 4.573 15.350 1.00 20.76 C ATOM 498 CG LYS A 66 37.486 5.498 16.033 1.00 23.37 C ATOM 499 CD LYS A 66 37.787 5.599 17.502 1.00 25.29 C ATOM 500 CE LYS A 66 37.250 6.895 18.067 1.00 27.47 C ATOM 501 NZ LYS A 66 37.273 6.864 19.584 1.00 34.58 N ATOM 502 N ASN A 67 39.486 2.444 13.043 1.00 21.67 N ATOM 503 CA ASN A 67 40.589 1.760 12.373 1.00 20.48 C ATOM 504 C ASN A 67 40.437 1.617 10.845 1.00 18.91 C ATOM 505 O ASN A 67 41.228 0.936 10.213 1.00 25.09 O ATOM 506 CB ASN A 67 40.788 0.375 12.987 1.00 22.10 C ATOM 507 CG ASN A 67 39.676 -0.616 12.592 1.00 25.92 C ATOM 508 OD1 ASN A 67 38.690 -0.266 11.923 1.00 19.82 O ATOM 509 ND2 ASN A 67 39.874 -1.873 12.956 1.00 27.77 N ATOM 510 N GLY A 68 39.440 2.244 10.250 1.00 16.67 N ATOM 511 CA GLY A 68 39.277 2.128 8.823 1.00 16.01 C ATOM 512 C GLY A 68 38.437 0.973 8.345 1.00 18.46 C ATOM 513 O GLY A 68 38.121 0.910 7.167 1.00 22.62 O ATOM 514 N GLN A 69 38.102 0.032 9.218 1.00 19.58 N ATOM 515 CA GLN A 69 37.260 -1.103 8.823 1.00 16.45 C ATOM 516 C GLN A 69 35.863 -0.562 8.680 1.00 12.93 C ATOM 517 O GLN A 69 35.595 0.547 9.107 1.00 15.36 O ATOM 518 CB GLN A 69 37.323 -2.249 9.839 1.00 20.44 C ATOM 519 CG GLN A 69 38.450 -3.256 9.539 1.00 27.54 C ATOM 520 CD GLN A 69 38.251 -4.644 10.208 1.00 35.10 C ATOM 521 OE1 GLN A 69 39.209 -5.252 10.657 1.00 37.65 O ATOM 522 NE2 GLN A 69 37.011 -5.135 10.264 1.00 39.34 N ATOM 523 N THR A 70 35.019 -1.270 7.959 1.00 11.78 N ATOM 524 CA THR A 70 33.660 -0.798 7.729 1.00 18.94 C ATOM 525 C THR A 70 32.537 -1.460 8.509 1.00 16.24 C ATOM 526 O THR A 70 31.369 -1.210 8.207 1.00 21.08 O ATOM 527 CB THR A 70 33.261 -0.913 6.223 1.00 21.18 C ATOM 528 OG1 THR A 70 33.533 -2.232 5.743 1.00 24.53 O ATOM 529 CG2 THR A 70 33.997 0.102 5.387 1.00 24.31 C ATOM 530 N ASN A 71 32.875 -2.282 9.498 1.00 13.57 N ATOM 531 CA ASN A 71 31.871 -2.991 10.283 1.00 16.40 C ATOM 532 C ASN A 71 31.379 -2.309 11.599 1.00 12.00 C ATOM 533 O ASN A 71 31.059 -2.981 12.576 1.00 16.00 O ATOM 534 CB ASN A 71 32.335 -4.445 10.506 1.00 13.56 C ATOM 535 CG ASN A 71 33.556 -4.546 11.375 1.00 14.11 C ATOM 536 OD1 ASN A 71 34.490 -3.749 11.262 1.00 19.09 O ATOM 537 ND2 ASN A 71 33.576 -5.537 12.230 1.00 13.99 N ATOM 538 N CYS A 72 31.310 -0.973 11.604 1.00 16.16 N ATOM 539 CA CYS A 72 30.849 -0.197 12.771 1.00 14.32 C ATOM 540 C CYS A 72 29.491 0.386 12.496 1.00 10.74 C ATOM 541 O CYS A 72 29.142 0.650 11.324 1.00 10.65 O ATOM 542 CB CYS A 72 31.831 0.888 13.164 1.00 14.20 C ATOM 543 SG CYS A 72 33.215 0.192 14.063 1.00 14.46 S ATOM 544 N TYR A 73 28.705 0.494 13.562 1.00 10.20 N ATOM 545 CA TYR A 73 27.316 0.923 13.477 1.00 10.07 C ATOM 546 C TYR A 73 27.010 1.878 14.563 1.00 9.44 C ATOM 547 O TYR A 73 27.420 1.690 15.700 1.00 14.81 O ATOM 548 CB TYR A 73 26.386 -0.292 13.639 1.00 12.31 C ATOM 549 CG TYR A 73 26.565 -1.324 12.559 1.00 11.50 C ATOM 550 CD1 TYR A 73 27.512 -2.321 12.690 1.00 13.03 C ATOM 551 CD2 TYR A 73 25.919 -1.194 11.339 1.00 10.10 C ATOM 552 CE1 TYR A 73 27.840 -3.135 11.642 1.00 12.59 C ATOM 553 CE2 TYR A 73 26.243 -2.006 10.279 1.00 12.10 C ATOM 554 CZ TYR A 73 27.213 -2.971 10.431 1.00 13.91 C ATOM 555 OH TYR A 73 27.605 -3.760 9.353 1.00 19.00 O ATOM 556 N GLN A 74 26.252 2.897 14.217 1.00 14.53 N ATOM 557 CA GLN A 74 25.870 3.953 15.135 1.00 16.02 C ATOM 558 C GLN A 74 24.387 3.808 15.503 1.00 15.80 C ATOM 559 O GLN A 74 23.557 3.487 14.653 1.00 16.94 O ATOM 560 CB GLN A 74 26.134 5.293 14.468 1.00 14.17 C ATOM 561 CG GLN A 74 25.967 6.480 15.349 1.00 15.60 C ATOM 562 CD GLN A 74 26.357 7.733 14.635 1.00 16.59 C ATOM 563 OE1 GLN A 74 27.404 7.795 14.012 1.00 20.22 O ATOM 564 NE2 GLN A 74 25.516 8.746 14.713 1.00 17.70 N ATOM 565 N SER A 75 24.091 3.937 16.792 1.00 16.26 N ATOM 566 CA SER A 75 22.732 3.822 17.284 1.00 17.53 C ATOM 567 C SER A 75 21.930 5.039 16.841 1.00 16.13 C ATOM 568 O SER A 75 22.437 6.135 16.910 1.00 13.58 O ATOM 569 CB SER A 75 22.719 3.732 18.819 1.00 16.93 C ATOM 570 OG SER A 75 23.161 4.932 19.438 1.00 18.12 O ATOM 571 N TYR A 76 20.710 4.836 16.329 1.00 17.23 N ATOM 572 CA TYR A 76 19.843 5.955 15.916 1.00 14.55 C ATOM 573 C TYR A 76 19.468 6.800 17.117 1.00 15.94 C ATOM 574 O TYR A 76 19.318 8.001 17.013 1.00 19.64 O ATOM 575 CB TYR A 76 18.561 5.480 15.208 1.00 13.66 C ATOM 576 CG TYR A 76 18.842 4.924 13.858 1.00 11.59 C ATOM 577 CD1 TYR A 76 19.495 5.687 12.892 1.00 12.62 C ATOM 578 CD2 TYR A 76 18.564 3.603 13.571 1.00 13.58 C ATOM 579 CE1 TYR A 76 19.876 5.134 11.668 1.00 13.76 C ATOM 580 CE2 TYR A 76 18.938 3.038 12.346 1.00 11.66 C ATOM 581 CZ TYR A 76 19.590 3.807 11.415 1.00 13.25 C ATOM 582 OH TYR A 76 19.943 3.222 10.235 1.00 16.11 O ATOM 583 N SER A 77 19.318 6.203 18.282 1.00 22.11 N ATOM 584 CA SER A 77 19.014 7.037 19.435 1.00 21.95 C ATOM 585 C SER A 77 20.141 7.019 20.429 1.00 17.55 C ATOM 586 O SER A 77 21.088 6.267 20.289 1.00 14.82 O ATOM 587 CB SER A 77 17.655 6.670 20.079 1.00 25.56 C ATOM 588 OG SER A 77 17.417 5.268 20.142 1.00 29.57 O ATOM 589 N THR A 78 20.098 7.985 21.329 1.00 18.19 N ATOM 590 CA THR A 78 21.064 8.109 22.393 1.00 19.27 C ATOM 591 C THR A 78 20.784 7.004 23.421 1.00 18.58 C ATOM 592 O THR A 78 19.643 6.612 23.640 1.00 18.63 O ATOM 593 CB THR A 78 20.954 9.508 23.106 1.00 17.25 C ATOM 594 OG1 THR A 78 19.629 9.687 23.594 1.00 23.57 O ATOM 595 CG2 THR A 78 21.229 10.649 22.172 1.00 16.91 C ATOM 596 N MET A 79 21.831 6.499 24.054 1.00 19.02 N ATOM 597 CA MET A 79 21.693 5.487 25.076 1.00 15.37 C ATOM 598 C MET A 79 22.319 6.060 26.321 1.00 13.89 C ATOM 599 O MET A 79 23.019 7.057 26.254 1.00 14.87 O ATOM 600 CB MET A 79 22.400 4.194 24.656 1.00 16.82 C ATOM 601 CG MET A 79 21.689 3.534 23.509 1.00 15.00 C ATOM 602 SD MET A 79 22.293 1.946 23.080 1.00 19.98 S ATOM 603 CE MET A 79 21.240 1.494 21.621 1.00 20.48 C ATOM 604 N SER A 80 21.984 5.487 27.461 1.00 11.82 N ATOM 605 CA SER A 80 22.538 5.926 28.723 1.00 16.02 C ATOM 606 C SER A 80 23.894 5.207 28.891 1.00 15.14 C ATOM 607 O SER A 80 23.943 3.979 28.908 1.00 17.93 O ATOM 608 CB SER A 80 21.613 5.518 29.868 1.00 12.66 C ATOM 609 OG SER A 80 22.126 5.960 31.097 1.00 20.21 O ATOM 610 N ILE A 81 24.971 5.951 29.094 1.00 17.56 N ATOM 611 CA ILE A 81 26.292 5.338 29.225 1.00 18.64 C ATOM 612 C ILE A 81 27.090 5.936 30.375 1.00 17.10 C ATOM 613 O ILE A 81 26.787 7.009 30.871 1.00 18.76 O ATOM 614 CB ILE A 81 27.135 5.538 27.904 1.00 18.99 C ATOM 615 CG1 ILE A 81 27.374 7.037 27.644 1.00 19.85 C ATOM 616 CG2 ILE A 81 26.441 4.884 26.681 1.00 15.46 C ATOM 617 CD1 ILE A 81 28.221 7.342 26.426 1.00 21.67 C ATOM 618 N THR A 82 28.098 5.221 30.816 1.00 16.09 N ATOM 619 CA THR A 82 28.963 5.769 31.833 1.00 15.66 C ATOM 620 C THR A 82 30.400 5.627 31.360 1.00 16.70 C ATOM 621 O THR A 82 30.842 4.532 31.032 1.00 17.41 O ATOM 622 CB THR A 82 28.868 5.020 33.149 1.00 15.43 C ATOM 623 OG1 THR A 82 27.517 4.996 33.608 1.00 13.90 O ATOM 624 CG2 THR A 82 29.766 5.676 34.194 1.00 14.15 C ATOM 625 N ASP A 83 31.115 6.737 31.275 1.00 24.05 N ATOM 626 CA ASP A 83 32.528 6.728 30.910 1.00 27.39 C ATOM 627 C ASP A 83 33.414 6.661 32.141 1.00 27.65 C ATOM 628 O ASP A 83 33.227 7.442 33.078 1.00 21.82 O ATOM 629 CB ASP A 83 32.876 7.953 30.088 1.00 29.06 C ATOM 630 CG ASP A 83 32.362 7.830 28.689 1.00 37.20 C ATOM 631 OD1 ASP A 83 32.587 6.749 28.100 1.00 37.55 O ATOM 632 OD2 ASP A 83 31.695 8.767 28.186 1.00 41.59 O ATOM 633 N CYS A 84 34.335 5.683 32.137 1.00 30.00 N ATOM 634 CA CYS A 84 35.309 5.457 33.205 1.00 28.15 C ATOM 635 C CYS A 84 36.647 5.797 32.604 1.00 29.92 C ATOM 636 O CYS A 84 37.104 5.138 31.674 1.00 28.63 O ATOM 637 CB CYS A 84 35.291 4.017 33.659 1.00 27.50 C ATOM 638 SG CYS A 84 33.694 3.540 34.376 1.00 25.76 S ATOM 639 N ARG A 85 37.231 6.863 33.137 1.00 34.85 N ATOM 640 CA ARG A 85 38.501 7.435 32.689 1.00 40.53 C ATOM 641 C ARG A 85 39.470 7.447 33.899 1.00 37.71 C ATOM 642 O ARG A 85 39.117 7.885 35.007 1.00 35.74 O ATOM 643 CB ARG A 85 38.185 8.837 32.157 1.00 47.98 C ATOM 644 CG ARG A 85 39.224 9.535 31.306 1.00 59.12 C ATOM 645 CD ARG A 85 38.657 10.900 30.830 1.00 67.86 C ATOM 646 NE ARG A 85 39.689 11.880 30.445 1.00 75.18 N ATOM 647 CZ ARG A 85 39.561 13.208 30.567 1.00 78.06 C ATOM 648 NH1 ARG A 85 38.443 13.743 31.069 1.00 78.78 N ATOM 649 NH2 ARG A 85 40.553 14.008 30.182 1.00 79.16 N ATOM 650 N GLU A 86 40.661 6.895 33.699 1.00 37.08 N ATOM 651 CA GLU A 86 41.656 6.768 34.765 1.00 39.78 C ATOM 652 C GLU A 86 42.132 8.094 35.345 1.00 42.80 C ATOM 653 O GLU A 86 42.178 9.099 34.624 1.00 41.45 O ATOM 654 CB GLU A 86 42.845 5.957 34.255 1.00 40.21 C ATOM 655 CG GLU A 86 43.877 5.600 35.314 1.00 43.01 C ATOM 656 CD GLU A 86 44.963 4.647 34.815 1.00 42.21 C ATOM 657 OE1 GLU A 86 45.541 3.916 35.638 1.00 42.48 O ATOM 658 OE2 GLU A 86 45.259 4.641 33.604 1.00 45.69 O ATOM 659 N THR A 87 42.437 8.117 36.646 1.00 44.37 N ATOM 660 CA THR A 87 42.918 9.350 37.263 1.00 46.02 C ATOM 661 C THR A 87 44.437 9.436 37.428 1.00 49.02 C ATOM 662 O THR A 87 45.191 8.624 36.863 1.00 49.31 O ATOM 663 CB THR A 87 42.210 9.679 38.597 1.00 42.69 C ATOM 664 OG1 THR A 87 42.620 8.780 39.627 1.00 42.31 O ATOM 665 CG2 THR A 87 40.727 9.607 38.425 1.00 42.97 C ATOM 666 N GLY A 88 44.869 10.469 38.163 1.00 53.45 N ATOM 667 CA GLY A 88 46.286 10.720 38.418 1.00 52.74 C ATOM 668 C GLY A 88 46.933 9.859 39.486 1.00 50.94 C ATOM 669 O GLY A 88 47.967 9.248 39.237 1.00 53.16 O ATOM 670 N SER A 89 46.350 9.823 40.678 1.00 49.07 N ATOM 671 CA SER A 89 46.896 8.994 41.748 1.00 50.46 C ATOM 672 C SER A 89 46.611 7.516 41.444 1.00 49.04 C ATOM 673 O SER A 89 46.894 6.626 42.264 1.00 50.91 O ATOM 674 CB SER A 89 46.265 9.375 43.089 1.00 54.40 C ATOM 675 OG SER A 89 44.878 9.065 43.114 1.00 59.27 O ATOM 676 N SER A 90 45.937 7.279 40.317 1.00 43.27 N ATOM 677 CA SER A 90 45.626 5.944 39.869 1.00 35.51 C ATOM 678 C SER A 90 46.977 5.335 39.558 1.00 33.18 C ATOM 679 O SER A 90 47.624 5.756 38.610 1.00 30.81 O ATOM 680 CB SER A 90 44.803 6.013 38.596 1.00 31.46 C ATOM 681 OG SER A 90 44.686 4.722 38.057 1.00 29.02 O ATOM 682 N LYS A 91 47.437 4.411 40.394 1.00 33.02 N ATOM 683 CA LYS A 91 48.727 3.762 40.174 1.00 35.41 C ATOM 684 C LYS A 91 48.495 2.301 40.301 1.00 32.34 C ATOM 685 O LYS A 91 47.982 1.862 41.327 1.00 33.42 O ATOM 686 CB LYS A 91 49.771 4.167 41.243 1.00 42.63 C ATOM 687 CG LYS A 91 50.627 5.429 40.936 1.00 48.24 C ATOM 688 CD LYS A 91 51.481 5.271 39.667 1.00 54.90 C ATOM 689 CE LYS A 91 52.180 6.589 39.266 1.00 59.35 C ATOM 690 NZ LYS A 91 52.857 6.532 37.916 1.00 61.75 N ATOM 691 N TYR A 92 48.869 1.538 39.278 1.00 33.20 N ATOM 692 CA TYR A 92 48.692 0.082 39.328 1.00 34.23 C ATOM 693 C TYR A 92 49.454 -0.532 40.534 1.00 35.70 C ATOM 694 O TYR A 92 50.596 -0.148 40.821 1.00 33.83 O ATOM 695 CB TYR A 92 49.145 -0.573 38.015 1.00 30.31 C ATOM 696 CG TYR A 92 48.907 -2.076 37.978 1.00 30.77 C ATOM 697 CD1 TYR A 92 47.783 -2.609 37.330 1.00 30.61 C ATOM 698 CD2 TYR A 92 49.816 -2.977 38.567 1.00 30.49 C ATOM 699 CE1 TYR A 92 47.568 -3.998 37.259 1.00 28.33 C ATOM 700 CE2 TYR A 92 49.610 -4.369 38.497 1.00 30.31 C ATOM 701 CZ TYR A 92 48.481 -4.864 37.834 1.00 31.42 C ATOM 702 OH TYR A 92 48.285 -6.217 37.698 1.00 31.33 O ATOM 703 N PRO A 93 48.831 -1.499 41.250 1.00 35.91 N ATOM 704 CA PRO A 93 47.507 -2.117 41.102 1.00 34.51 C ATOM 705 C PRO A 93 46.342 -1.325 41.692 1.00 33.53 C ATOM 706 O PRO A 93 45.245 -1.861 41.826 1.00 29.84 O ATOM 707 CB PRO A 93 47.678 -3.419 41.860 1.00 36.64 C ATOM 708 CG PRO A 93 48.499 -2.960 43.051 1.00 37.20 C ATOM 709 CD PRO A 93 49.566 -2.136 42.366 1.00 37.64 C ATOM 710 N ASN A 94 46.598 -0.087 42.102 1.00 34.34 N ATOM 711 CA ASN A 94 45.556 0.750 42.679 1.00 33.74 C ATOM 712 C ASN A 94 45.043 1.704 41.656 1.00 31.65 C ATOM 713 O ASN A 94 45.301 2.901 41.721 1.00 31.47 O ATOM 714 CB ASN A 94 46.059 1.513 43.891 1.00 39.31 C ATOM 715 CG ASN A 94 46.530 0.591 44.975 1.00 45.39 C ATOM 716 OD1 ASN A 94 47.720 0.595 45.344 1.00 50.43 O ATOM 717 ND2 ASN A 94 45.626 -0.274 45.451 1.00 45.01 N ATOM 718 N CYS A 95 44.295 1.152 40.709 1.00 31.92 N ATOM 719 CA CYS A 95 43.713 1.914 39.616 1.00 31.43 C ATOM 720 C CYS A 95 42.596 2.805 40.156 1.00 29.72 C ATOM 721 O CYS A 95 41.832 2.403 41.008 1.00 26.02 O ATOM 722 CB CYS A 95 43.165 0.949 38.553 1.00 29.08 C ATOM 723 SG CYS A 95 44.350 -0.334 38.029 1.00 28.81 S ATOM 724 N ALA A 96 42.513 4.023 39.658 1.00 31.85 N ATOM 725 CA ALA A 96 41.478 4.921 40.119 1.00 28.59 C ATOM 726 C ALA A 96 40.824 5.539 38.896 1.00 25.61 C ATOM 727 O ALA A 96 41.488 5.834 37.890 1.00 21.44 O ATOM 728 CB ALA A 96 42.068 5.984 41.025 1.00 31.97 C ATOM 729 N TYR A 97 39.505 5.656 38.974 1.00 25.80 N ATOM 730 CA TYR A 97 38.712 6.193 37.892 1.00 27.04 C ATOM 731 C TYR A 97 37.774 7.298 38.307 1.00 29.39 C ATOM 732 O TYR A 97 37.522 7.560 39.501 1.00 32.33 O ATOM 733 CB TYR A 97 37.899 5.080 37.227 1.00 23.15 C ATOM 734 CG TYR A 97 38.752 3.977 36.643 1.00 21.64 C ATOM 735 CD1 TYR A 97 39.220 2.948 37.446 1.00 22.86 C ATOM 736 CD2 TYR A 97 39.168 4.008 35.309 1.00 20.56 C ATOM 737 CE1 TYR A 97 40.100 1.986 36.933 1.00 21.88 C ATOM 738 CE2 TYR A 97 40.040 3.046 34.795 1.00 18.85 C ATOM 739 CZ TYR A 97 40.495 2.046 35.622 1.00 21.12 C ATOM 740 OH TYR A 97 41.328 1.066 35.155 1.00 24.04 O ATOM 741 N LYS A 98 37.371 8.022 37.280 1.00 32.40 N ATOM 742 CA LYS A 98 36.421 9.109 37.385 1.00 37.37 C ATOM 743 C LYS A 98 35.159 8.616 36.633 1.00 35.10 C ATOM 744 O LYS A 98 35.259 8.205 35.468 1.00 35.32 O ATOM 745 CB LYS A 98 37.004 10.365 36.726 1.00 39.87 C ATOM 746 CG LYS A 98 36.014 11.494 36.576 1.00 46.46 C ATOM 747 CD LYS A 98 36.692 12.747 36.069 1.00 51.00 C ATOM 748 CE LYS A 98 37.353 12.516 34.711 1.00 54.72 C ATOM 749 NZ LYS A 98 36.390 12.161 33.612 1.00 56.00 N ATOM 750 N THR A 99 34.032 8.524 37.342 1.00 31.69 N ATOM 751 CA THR A 99 32.758 8.099 36.755 1.00 31.53 C ATOM 752 C THR A 99 32.067 9.243 36.024 1.00 32.72 C ATOM 753 O THR A 99 31.825 10.301 36.585 1.00 33.86 O ATOM 754 CB THR A 99 31.787 7.543 37.816 1.00 30.28 C ATOM 755 OG1 THR A 99 32.303 6.311 38.332 1.00 34.78 O ATOM 756 CG2 THR A 99 30.412 7.289 37.225 1.00 22.96 C ATOM 757 N THR A 100 31.706 9.024 34.777 1.00 33.64 N ATOM 758 CA THR A 100 31.060 10.079 34.054 1.00 31.70 C ATOM 759 C THR A 100 29.847 9.619 33.256 1.00 30.65 C ATOM 760 O THR A 100 29.960 8.855 32.307 1.00 32.39 O ATOM 761 CB THR A 100 32.105 10.823 33.268 1.00 34.24 C ATOM 762 OG1 THR A 100 33.030 11.379 34.209 1.00 36.01 O ATOM 763 CG2 THR A 100 31.490 11.950 32.482 1.00 39.07 C ATOM 764 N GLN A 101 28.671 10.063 33.684 1.00 28.26 N ATOM 765 CA GLN A 101 27.428 9.669 33.050 1.00 25.39 C ATOM 766 C GLN A 101 27.027 10.569 31.903 1.00 24.65 C ATOM 767 O GLN A 101 27.374 11.739 31.881 1.00 26.70 O ATOM 768 CB GLN A 101 26.347 9.653 34.101 1.00 27.89 C ATOM 769 CG GLN A 101 24.947 9.306 33.609 1.00 30.11 C ATOM 770 CD GLN A 101 24.847 7.900 33.099 1.00 31.09 C ATOM 771 OE1 GLN A 101 24.024 7.591 32.228 1.00 29.18 O ATOM 772 NE2 GLN A 101 25.698 7.027 33.631 1.00 31.20 N ATOM 773 N ALA A 102 26.336 10.023 30.914 1.00 24.14 N ATOM 774 CA ALA A 102 25.876 10.853 29.796 1.00 22.05 C ATOM 775 C ALA A 102 24.946 10.058 28.878 1.00 18.05 C ATOM 776 O ALA A 102 24.759 8.868 29.070 1.00 19.61 O ATOM 777 CB ALA A 102 27.075 11.375 29.021 1.00 22.64 C ATOM 778 N ASN A 103 24.336 10.723 27.908 1.00 15.87 N ATOM 779 CA ASN A 103 23.467 10.040 26.955 1.00 20.61 C ATOM 780 C ASN A 103 24.007 10.346 25.610 1.00 19.26 C ATOM 781 O ASN A 103 23.981 11.494 25.209 1.00 25.18 O ATOM 782 CB ASN A 103 22.033 10.532 27.032 1.00 23.20 C ATOM 783 CG ASN A 103 21.320 9.932 28.186 1.00 29.98 C ATOM 784 OD1 ASN A 103 20.703 8.873 28.067 1.00 36.56 O ATOM 785 ND2 ASN A 103 21.514 10.515 29.356 1.00 32.73 N ATOM 786 N LYS A 104 24.509 9.336 24.910 1.00 19.95 N ATOM 787 CA LYS A 104 25.073 9.556 23.591 1.00 19.47 C ATOM 788 C LYS A 104 24.796 8.381 22.667 1.00 18.57 C ATOM 789 O LYS A 104 24.292 7.346 23.086 1.00 18.43 O ATOM 790 CB LYS A 104 26.594 9.800 23.701 1.00 24.10 C ATOM 791 CG LYS A 104 27.015 11.006 24.576 1.00 28.61 C ATOM 792 CD LYS A 104 28.516 11.134 24.772 1.00 32.11 C ATOM 793 CE LYS A 104 29.139 12.043 23.713 1.00 40.42 C ATOM 794 NZ LYS A 104 30.655 11.947 23.526 1.00 41.87 N ATOM 795 N HIS A 105 24.975 8.601 21.377 1.00 15.79 N ATOM 796 CA HIS A 105 24.831 7.522 20.420 1.00 17.77 C ATOM 797 C HIS A 105 26.062 6.691 20.630 1.00 19.05 C ATOM 798 O HIS A 105 27.121 7.235 20.948 1.00 16.84 O ATOM 799 CB HIS A 105 24.855 8.095 19.015 1.00 16.79 C ATOM 800 CG HIS A 105 23.744 9.052 18.786 1.00 19.97 C ATOM 801 ND1 HIS A 105 22.457 8.629 18.511 1.00 24.24 N ATOM 802 CD2 HIS A 105 23.671 10.390 18.963 1.00 22.59 C ATOM 803 CE1 HIS A 105 21.638 9.667 18.540 1.00 20.77 C ATOM 804 NE2 HIS A 105 22.349 10.745 18.813 1.00 23.23 N ATOM 805 N ILE A 106 25.957 5.383 20.477 1.00 17.01 N ATOM 806 CA ILE A 106 27.160 4.566 20.635 1.00 15.13 C ATOM 807 C ILE A 106 27.532 4.059 19.247 1.00 16.15 C ATOM 808 O ILE A 106 26.642 3.969 18.373 1.00 14.33 O ATOM 809 CB ILE A 106 26.919 3.335 21.553 1.00 14.28 C ATOM 810 CG1 ILE A 106 25.829 2.432 20.954 1.00 15.53 C ATOM 811 CG2 ILE A 106 26.544 3.771 22.957 1.00 12.56 C ATOM 812 CD1 ILE A 106 25.647 1.069 21.683 1.00 14.15 C ATOM 813 N ILE A 107 28.818 3.749 19.036 1.00 13.36 N ATOM 814 CA ILE A 107 29.295 3.165 17.780 1.00 11.38 C ATOM 815 C ILE A 107 29.990 1.894 18.194 1.00 13.58 C ATOM 816 O ILE A 107 30.837 1.900 19.100 1.00 11.24 O ATOM 817 CB ILE A 107 30.305 4.050 17.030 1.00 11.02 C ATOM 818 CG1 ILE A 107 29.682 5.407 16.708 1.00 10.72 C ATOM 819 CG2 ILE A 107 30.691 3.373 15.725 1.00 9.29 C ATOM 820 CD1 ILE A 107 30.642 6.449 16.251 1.00 13.54 C ATOM 821 N VAL A 108 29.526 0.783 17.639 1.00 15.02 N ATOM 822 CA VAL A 108 30.104 -0.522 17.935 1.00 16.43 C ATOM 823 C VAL A 108 30.461 -1.247 16.624 1.00 15.20 C ATOM 824 O VAL A 108 29.946 -0.887 15.564 1.00 18.11 O ATOM 825 CB VAL A 108 29.146 -1.411 18.813 1.00 16.45 C ATOM 826 CG1 VAL A 108 28.943 -0.794 20.205 1.00 14.03 C ATOM 827 CG2 VAL A 108 27.801 -1.633 18.100 1.00 17.31 C ATOM 828 N ALA A 109 31.406 -2.197 16.687 1.00 15.29 N ATOM 829 CA ALA A 109 31.831 -2.992 15.532 1.00 11.47 C ATOM 830 C ALA A 109 31.103 -4.310 15.760 1.00 16.06 C ATOM 831 O ALA A 109 31.084 -4.804 16.887 1.00 18.72 O ATOM 832 CB ALA A 109 33.327 -3.218 15.578 1.00 12.84 C ATOM 833 N CYS A 110 30.488 -4.863 14.720 1.00 10.89 N ATOM 834 CA CYS A 110 29.760 -6.107 14.850 1.00 12.15 C ATOM 835 C CYS A 110 30.363 -7.123 13.959 1.00 12.80 C ATOM 836 O CYS A 110 31.136 -6.793 13.095 1.00 14.77 O ATOM 837 CB CYS A 110 28.307 -5.915 14.429 1.00 12.20 C ATOM 838 SG CYS A 110 27.488 -4.661 15.412 1.00 14.64 S ATOM 839 N GLU A 111 30.055 -8.378 14.209 1.00 17.02 N ATOM 840 CA GLU A 111 30.553 -9.437 13.376 1.00 18.34 C ATOM 841 C GLU A 111 30.065 -10.789 13.841 1.00 14.73 C ATOM 842 O GLU A 111 29.501 -10.928 14.911 1.00 12.72 O ATOM 843 CB GLU A 111 32.114 -9.371 13.229 1.00 24.86 C ATOM 844 CG GLU A 111 33.005 -10.003 14.306 1.00 29.76 C ATOM 845 CD GLU A 111 34.558 -9.633 14.214 1.00 33.24 C ATOM 846 OE1 GLU A 111 34.999 -8.762 13.435 1.00 34.35 O ATOM 847 OE2 GLU A 111 35.342 -10.220 14.983 1.00 36.21 O ATOM 848 N GLY A 112 30.135 -11.745 12.946 1.00 12.92 N ATOM 849 CA GLY A 112 29.810 -13.096 13.301 1.00 15.28 C ATOM 850 C GLY A 112 28.447 -13.418 12.828 1.00 24.45 C ATOM 851 O GLY A 112 27.795 -12.629 12.152 1.00 22.10 O ATOM 852 N ASN A 113 28.035 -14.624 13.168 1.00 29.37 N ATOM 853 CA ASN A 113 26.708 -15.089 12.828 1.00 33.06 C ATOM 854 C ASN A 113 26.157 -15.836 14.067 1.00 30.63 C ATOM 855 O ASN A 113 26.595 -16.947 14.397 1.00 33.94 O ATOM 856 CB ASN A 113 26.756 -15.965 11.579 1.00 36.86 C ATOM 857 CG ASN A 113 25.426 -16.589 11.274 1.00 43.14 C ATOM 858 OD1 ASN A 113 24.360 -15.936 11.334 1.00 45.64 O ATOM 859 ND2 ASN A 113 25.459 -17.876 10.956 1.00 47.65 N ATOM 860 N PRO A 114 25.171 -15.245 14.748 1.00 25.86 N ATOM 861 CA PRO A 114 24.591 -13.960 14.395 1.00 25.73 C ATOM 862 C PRO A 114 25.540 -12.793 14.577 1.00 21.21 C ATOM 863 O PRO A 114 26.566 -12.897 15.231 1.00 24.46 O ATOM 864 CB PRO A 114 23.366 -13.885 15.299 1.00 28.45 C ATOM 865 CG PRO A 114 23.865 -14.503 16.526 1.00 29.19 C ATOM 866 CD PRO A 114 24.598 -15.734 16.005 1.00 27.60 C ATOM 867 N TYR A 115 25.222 -11.727 13.867 1.00 20.55 N ATOM 868 CA TYR A 115 25.981 -10.497 13.829 1.00 18.05 C ATOM 869 C TYR A 115 25.717 -9.731 15.119 1.00 18.77 C ATOM 870 O TYR A 115 24.662 -9.095 15.288 1.00 19.42 O ATOM 871 CB TYR A 115 25.519 -9.741 12.586 1.00 16.77 C ATOM 872 CG TYR A 115 26.511 -8.769 12.032 1.00 15.73 C ATOM 873 CD1 TYR A 115 27.765 -9.188 11.585 1.00 12.37 C ATOM 874 CD2 TYR A 115 26.162 -7.436 11.887 1.00 18.21 C ATOM 875 CE1 TYR A 115 28.624 -8.304 11.002 1.00 15.04 C ATOM 876 CE2 TYR A 115 27.006 -6.544 11.299 1.00 17.10 C ATOM 877 CZ TYR A 115 28.225 -6.974 10.849 1.00 16.11 C ATOM 878 OH TYR A 115 28.971 -6.060 10.151 1.00 17.61 O ATOM 879 N VAL A 116 26.688 -9.803 16.027 1.00 21.28 N ATOM 880 CA VAL A 116 26.602 -9.232 17.376 1.00 17.29 C ATOM 881 C VAL A 116 27.698 -8.250 17.695 1.00 14.95 C ATOM 882 O VAL A 116 28.758 -8.322 17.131 1.00 15.46 O ATOM 883 CB VAL A 116 26.742 -10.391 18.412 1.00 19.13 C ATOM 884 CG1 VAL A 116 25.477 -11.302 18.361 1.00 14.88 C ATOM 885 CG2 VAL A 116 28.038 -11.209 18.096 1.00 12.16 C ATOM 886 N PRO A 117 27.482 -7.364 18.673 1.00 19.31 N ATOM 887 CA PRO A 117 28.572 -6.424 18.969 1.00 18.19 C ATOM 888 C PRO A 117 29.800 -7.183 19.534 1.00 18.71 C ATOM 889 O PRO A 117 29.667 -8.185 20.259 1.00 18.51 O ATOM 890 CB PRO A 117 27.946 -5.476 20.020 1.00 17.16 C ATOM 891 CG PRO A 117 26.483 -5.678 19.873 1.00 16.44 C ATOM 892 CD PRO A 117 26.324 -7.139 19.563 1.00 18.28 C ATOM 893 N VAL A 118 30.986 -6.796 19.075 1.00 20.53 N ATOM 894 CA VAL A 118 32.227 -7.403 19.559 1.00 19.83 C ATOM 895 C VAL A 118 33.230 -6.360 20.043 1.00 18.92 C ATOM 896 O VAL A 118 34.123 -6.685 20.800 1.00 23.32 O ATOM 897 CB VAL A 118 32.900 -8.355 18.531 1.00 16.07 C ATOM 898 CG1 VAL A 118 31.907 -9.417 18.095 1.00 18.05 C ATOM 899 CG2 VAL A 118 33.425 -7.593 17.352 1.00 14.74 C ATOM 900 N HIS A 119 33.021 -5.096 19.697 1.00 15.77 N ATOM 901 CA HIS A 119 33.944 -4.058 20.105 1.00 16.80 C ATOM 902 C HIS A 119 33.220 -2.719 20.181 1.00 16.60 C ATOM 903 O HIS A 119 32.361 -2.446 19.347 1.00 21.07 O ATOM 904 CB HIS A 119 35.139 -4.052 19.113 1.00 19.40 C ATOM 905 CG HIS A 119 35.690 -2.685 18.787 1.00 27.27 C ATOM 906 ND1 HIS A 119 36.812 -2.159 19.396 1.00 28.88 N ATOM 907 CD2 HIS A 119 35.297 -1.760 17.875 1.00 29.06 C ATOM 908 CE1 HIS A 119 37.083 -0.973 18.872 1.00 29.94 C ATOM 909 NE2 HIS A 119 36.180 -0.711 17.944 1.00 28.22 N ATOM 910 N PHE A 120 33.492 -1.936 21.225 1.00 11.81 N ATOM 911 CA PHE A 120 32.910 -0.604 21.403 1.00 13.80 C ATOM 912 C PHE A 120 33.860 0.416 20.720 1.00 13.22 C ATOM 913 O PHE A 120 34.993 0.559 21.125 1.00 18.46 O ATOM 914 CB PHE A 120 32.746 -0.298 22.910 1.00 11.99 C ATOM 915 CG PHE A 120 31.883 0.908 23.211 1.00 14.31 C ATOM 916 CD1 PHE A 120 30.552 0.756 23.546 1.00 16.10 C ATOM 917 CD2 PHE A 120 32.420 2.210 23.189 1.00 15.77 C ATOM 918 CE1 PHE A 120 29.773 1.870 23.858 1.00 15.80 C ATOM 919 CE2 PHE A 120 31.628 3.342 23.499 1.00 15.16 C ATOM 920 CZ PHE A 120 30.322 3.168 23.831 1.00 13.22 C ATOM 921 N ASP A 121 33.411 1.142 19.703 1.00 13.55 N ATOM 922 CA ASP A 121 34.313 2.059 19.007 1.00 13.84 C ATOM 923 C ASP A 121 34.317 3.508 19.531 1.00 16.77 C ATOM 924 O ASP A 121 35.372 4.118 19.686 1.00 17.35 O ATOM 925 CB ASP A 121 34.002 2.041 17.490 1.00 10.70 C ATOM 926 CG ASP A 121 35.215 2.366 16.635 1.00 16.36 C ATOM 927 OD1 ASP A 121 36.278 1.710 16.799 1.00 15.71 O ATOM 928 OD2 ASP A 121 35.106 3.281 15.796 1.00 16.22 O ATOM 929 N ALA A 122 33.141 4.068 19.786 1.00 17.35 N ATOM 930 CA ALA A 122 33.048 5.447 20.211 1.00 14.94 C ATOM 931 C ALA A 122 31.638 5.780 20.634 1.00 16.71 C ATOM 932 O ALA A 122 30.719 4.990 20.483 1.00 15.95 O ATOM 933 CB ALA A 122 33.423 6.337 19.048 1.00 16.77 C ATOM 934 N SER A 123 31.476 6.991 21.125 1.00 18.44 N ATOM 935 CA SER A 123 30.193 7.473 21.539 1.00 16.52 C ATOM 936 C SER A 123 30.189 8.899 21.055 1.00 19.89 C ATOM 937 O SER A 123 31.215 9.558 21.068 1.00 24.95 O ATOM 938 CB SER A 123 30.027 7.353 23.063 1.00 13.67 C ATOM 939 OG SER A 123 30.813 8.277 23.768 1.00 22.67 O ATOM 940 N VAL A 124 29.078 9.324 20.479 1.00 22.40 N ATOM 941 CA VAL A 124 28.940 10.674 19.976 1.00 27.19 C ATOM 942 C VAL A 124 27.539 11.207 20.249 1.00 24.88 C ATOM 943 O VAL A 124 26.616 10.411 20.455 1.00 29.24 O ATOM 944 CB VAL A 124 29.213 10.738 18.464 1.00 29.32 C ATOM 945 CG1 VAL A 124 30.671 10.399 18.200 1.00 34.50 C ATOM 946 CG2 VAL A 124 28.329 9.764 17.736 1.00 29.20 C ATOM 947 OXT VAL A 124 27.376 12.423 20.241 1.00 29.08 O TER 948 VAL A 124 ATOM 949 N LYS A 1 21.569 17.364 7.893 1.00 57.77 N ATOM 950 CA LYS A 1 20.735 16.636 6.891 1.00 53.88 C ATOM 951 C LYS A 1 21.125 15.152 6.867 1.00 51.07 C ATOM 952 O LYS A 1 22.288 14.783 7.139 1.00 56.05 O ATOM 953 CB LYS A 1 20.908 17.255 5.501 1.00 56.22 C ATOM 954 N GLU A 2 20.112 14.323 6.635 1.00 41.37 N ATOM 955 CA GLU A 2 20.211 12.877 6.558 1.00 29.67 C ATOM 956 C GLU A 2 19.818 12.670 5.128 1.00 24.19 C ATOM 957 O GLU A 2 18.806 13.228 4.681 1.00 22.85 O ATOM 958 CB GLU A 2 19.149 12.291 7.460 1.00 28.57 C ATOM 959 CG GLU A 2 18.650 10.924 7.069 1.00 26.88 C ATOM 960 CD GLU A 2 17.551 10.448 7.999 1.00 24.14 C ATOM 961 OE1 GLU A 2 16.544 11.182 8.112 1.00 27.70 O ATOM 962 OE2 GLU A 2 17.705 9.371 8.621 1.00 21.03 O ATOM 963 N THR A 3 20.624 11.927 4.392 1.00 21.42 N ATOM 964 CA THR A 3 20.318 11.722 2.987 1.00 21.74 C ATOM 965 C THR A 3 19.075 10.873 2.859 1.00 24.25 C ATOM 966 O THR A 3 18.732 10.126 3.799 1.00 24.49 O ATOM 967 CB THR A 3 21.444 11.028 2.262 1.00 20.80 C ATOM 968 OG1 THR A 3 21.601 9.708 2.780 1.00 18.58 O ATOM 969 CG2 THR A 3 22.742 11.783 2.451 1.00 22.92 C ATOM 970 N ALA A 4 18.428 10.940 1.689 1.00 21.67 N ATOM 971 CA ALA A 4 17.217 10.158 1.451 1.00 18.72 C ATOM 972 C ALA A 4 17.531 8.679 1.529 1.00 16.70 C ATOM 973 O ALA A 4 16.692 7.866 1.889 1.00 16.93 O ATOM 974 CB ALA A 4 16.626 10.498 0.068 1.00 21.29 C ATOM 975 N ALA A 5 18.755 8.323 1.172 1.00 13.18 N ATOM 976 CA ALA A 5 19.145 6.940 1.201 1.00 9.60 C ATOM 977 C ALA A 5 19.364 6.434 2.625 1.00 11.59 C ATOM 978 O ALA A 5 18.993 5.312 2.939 1.00 15.81 O ATOM 979 CB ALA A 5 20.356 6.740 0.341 1.00 11.82 C ATOM 980 N ALA A 6 19.861 7.285 3.509 1.00 9.81 N ATOM 981 CA ALA A 6 20.118 6.891 4.895 1.00 15.34 C ATOM 982 C ALA A 6 18.798 6.774 5.647 1.00 15.25 C ATOM 983 O ALA A 6 18.652 5.966 6.557 1.00 18.39 O ATOM 984 CB ALA A 6 21.049 7.922 5.591 1.00 12.48 C ATOM 985 N LYS A 7 17.858 7.629 5.278 1.00 17.42 N ATOM 986 CA LYS A 7 16.525 7.650 5.855 1.00 17.53 C ATOM 987 C LYS A 7 15.808 6.367 5.482 1.00 12.59 C ATOM 988 O LYS A 7 15.187 5.741 6.326 1.00 13.38 O ATOM 989 CB LYS A 7 15.775 8.854 5.297 1.00 20.83 C ATOM 990 CG LYS A 7 14.407 9.031 5.865 1.00 27.33 C ATOM 991 CD LYS A 7 14.012 10.450 5.663 1.00 32.50 C ATOM 992 CE LYS A 7 12.603 10.677 6.132 1.00 38.36 C ATOM 993 NZ LYS A 7 12.439 12.103 6.606 1.00 43.73 N ATOM 994 N PHE A 8 15.960 5.933 4.235 1.00 11.58 N ATOM 995 CA PHE A 8 15.322 4.709 3.799 1.00 10.13 C ATOM 996 C PHE A 8 15.799 3.574 4.652 1.00 13.46 C ATOM 997 O PHE A 8 15.041 2.675 4.998 1.00 13.23 O ATOM 998 CB PHE A 8 15.636 4.383 2.346 1.00 4.41 C ATOM 999 CG PHE A 8 15.042 3.077 1.897 1.00 9.55 C ATOM 1000 CD1 PHE A 8 13.728 3.012 1.448 1.00 10.48 C ATOM 1001 CD2 PHE A 8 15.770 1.902 1.973 1.00 8.88 C ATOM 1002 CE1 PHE A 8 13.142 1.797 1.079 1.00 12.56 C ATOM 1003 CE2 PHE A 8 15.200 0.696 1.611 1.00 11.39 C ATOM 1004 CZ PHE A 8 13.882 0.637 1.164 1.00 14.23 C ATOM 1005 N GLU A 9 17.104 3.537 4.890 1.00 17.15 N ATOM 1006 CA GLU A 9 17.669 2.484 5.714 1.00 14.99 C ATOM 1007 C GLU A 9 17.201 2.560 7.161 1.00 11.66 C ATOM 1008 O GLU A 9 16.938 1.532 7.766 1.00 14.64 O ATOM 1009 CB GLU A 9 19.195 2.506 5.652 1.00 17.25 C ATOM 1010 CG GLU A 9 19.764 1.850 4.412 1.00 20.79 C ATOM 1011 CD GLU A 9 21.270 1.748 4.468 1.00 25.61 C ATOM 1012 OE1 GLU A 9 21.791 0.895 5.228 1.00 31.07 O ATOM 1013 OE2 GLU A 9 21.929 2.502 3.736 1.00 25.99 O ATOM 1014 N ARG A 10 17.066 3.766 7.696 1.00 8.24 N ATOM 1015 CA ARG A 10 16.639 3.925 9.070 1.00 11.96 C ATOM 1016 C ARG A 10 15.216 3.398 9.277 1.00 17.65 C ATOM 1017 O ARG A 10 14.923 2.580 10.177 1.00 15.28 O ATOM 1018 CB ARG A 10 16.710 5.410 9.479 1.00 10.00 C ATOM 1019 CG ARG A 10 16.143 5.574 10.896 1.00 11.03 C ATOM 1020 CD ARG A 10 16.400 6.898 11.510 1.00 10.86 C ATOM 1021 NE ARG A 10 16.033 8.005 10.638 1.00 13.01 N ATOM 1022 CZ ARG A 10 14.820 8.549 10.585 1.00 16.69 C ATOM 1023 NH1 ARG A 10 13.848 8.074 11.348 1.00 16.73 N ATOM 1024 NH2 ARG A 10 14.580 9.583 9.781 1.00 17.20 N ATOM 1025 N GLN A 11 14.346 3.814 8.362 1.00 19.47 N ATOM 1026 CA GLN A 11 12.949 3.469 8.430 1.00 16.25 C ATOM 1027 C GLN A 11 12.547 2.122 7.940 1.00 17.69 C ATOM 1028 O GLN A 11 11.539 1.594 8.385 1.00 19.37 O ATOM 1029 CB GLN A 11 12.147 4.436 7.602 1.00 17.49 C ATOM 1030 CG GLN A 11 12.294 5.866 7.958 1.00 22.55 C ATOM 1031 CD GLN A 11 11.232 6.712 7.252 1.00 24.77 C ATOM 1032 OE1 GLN A 11 10.540 7.498 7.897 1.00 25.20 O ATOM 1033 NE2 GLN A 11 11.124 6.574 5.922 1.00 24.23 N ATOM 1034 N HIS A 12 13.258 1.595 6.952 1.00 17.31 N ATOM 1035 CA HIS A 12 12.827 0.342 6.360 1.00 14.50 C ATOM 1036 C HIS A 12 13.689 -0.875 6.424 1.00 14.68 C ATOM 1037 O HIS A 12 13.193 -1.946 6.147 1.00 19.41 O ATOM 1038 CB HIS A 12 12.419 0.572 4.885 1.00 10.16 C ATOM 1039 CG HIS A 12 11.413 1.677 4.697 1.00 12.81 C ATOM 1040 ND1 HIS A 12 10.140 1.629 5.229 1.00 15.16 N ATOM 1041 CD2 HIS A 12 11.514 2.882 4.084 1.00 12.14 C ATOM 1042 CE1 HIS A 12 9.505 2.756 4.956 1.00 11.62 C ATOM 1043 NE2 HIS A 12 10.318 3.529 4.261 1.00 13.92 N ATOM 1044 N MET A 13 14.949 -0.770 6.808 1.00 13.82 N ATOM 1045 CA MET A 13 15.775 -1.976 6.788 1.00 14.01 C ATOM 1046 C MET A 13 16.005 -2.623 8.098 1.00 12.14 C ATOM 1047 O MET A 13 16.371 -1.983 9.079 1.00 16.04 O ATOM 1048 CB MET A 13 17.161 -1.713 6.178 1.00 17.24 C ATOM 1049 CG MET A 13 17.172 -1.285 4.739 1.00 14.92 C ATOM 1050 SD MET A 13 16.601 -2.580 3.686 1.00 17.78 S ATOM 1051 CE MET A 13 17.636 -3.895 4.086 1.00 18.72 C ATOM 1052 N ASP A 14 15.754 -3.908 8.133 1.00 17.08 N ATOM 1053 CA ASP A 14 16.054 -4.632 9.333 1.00 24.99 C ATOM 1054 C ASP A 14 16.543 -5.999 8.941 1.00 28.60 C ATOM 1055 O ASP A 14 15.802 -6.964 9.008 1.00 32.24 O ATOM 1056 CB ASP A 14 14.884 -4.767 10.273 1.00 26.60 C ATOM 1057 CG ASP A 14 15.302 -5.414 11.586 1.00 32.18 C ATOM 1058 OD1 ASP A 14 16.356 -5.020 12.121 1.00 33.38 O ATOM 1059 OD2 ASP A 14 14.626 -6.339 12.061 1.00 35.42 O ATOM 1060 N SER A 15 17.813 -6.073 8.569 1.00 31.81 N ATOM 1061 CA SER A 15 18.437 -7.317 8.150 1.00 35.55 C ATOM 1062 C SER A 15 18.869 -8.196 9.331 1.00 37.89 C ATOM 1063 O SER A 15 19.358 -9.307 9.140 1.00 41.48 O ATOM 1064 CB SER A 15 19.650 -7.003 7.281 1.00 35.87 C ATOM 1065 OG SER A 15 19.410 -5.862 6.481 1.00 36.08 O ATOM 1066 N SER A 16 18.693 -7.698 10.544 1.00 39.58 N ATOM 1067 CA SER A 16 19.066 -8.453 11.723 1.00 45.19 C ATOM 1068 C SER A 16 18.301 -9.755 11.819 1.00 45.16 C ATOM 1069 O SER A 16 18.898 -10.826 11.792 1.00 48.92 O ATOM 1070 CB SER A 16 18.800 -7.631 12.976 1.00 52.56 C ATOM 1071 OG SER A 16 17.490 -7.082 12.950 1.00 61.51 O ATOM 1072 N THR A 17 16.989 -9.661 12.006 1.00 43.70 N ATOM 1073 CA THR A 17 16.153 -10.847 12.099 1.00 41.63 C ATOM 1074 C THR A 17 15.645 -11.184 10.713 1.00 41.81 C ATOM 1075 O THR A 17 15.666 -10.349 9.807 1.00 39.22 O ATOM 1076 CB THR A 17 14.961 -10.646 13.074 1.00 40.75 C ATOM 1077 OG1 THR A 17 14.705 -9.241 13.259 1.00 37.77 O ATOM 1078 CG2 THR A 17 15.262 -11.310 14.414 1.00 39.56 C ATOM 1079 N SER A 18 15.208 -12.423 10.547 1.00 44.78 N ATOM 1080 CA SER A 18 14.679 -12.890 9.265 1.00 49.86 C ATOM 1081 C SER A 18 13.157 -12.773 9.111 1.00 47.27 C ATOM 1082 O SER A 18 12.651 -12.841 7.996 1.00 44.21 O ATOM 1083 CB SER A 18 15.113 -14.338 9.018 1.00 53.27 C ATOM 1084 OG SER A 18 14.868 -15.130 10.178 1.00 60.37 O ATOM 1085 N ALA A 19 12.450 -12.585 10.227 1.00 47.85 N ATOM 1086 CA ALA A 19 10.989 -12.461 10.246 1.00 50.16 C ATOM 1087 C ALA A 19 10.589 -11.520 11.370 1.00 53.06 C ATOM 1088 O ALA A 19 11.418 -11.212 12.237 1.00 56.03 O ATOM 1089 CB ALA A 19 10.361 -13.815 10.483 1.00 50.29 C ATOM 1090 N ALA A 20 9.341 -11.041 11.342 1.00 56.43 N ATOM 1091 CA ALA A 20 8.815 -10.151 12.390 1.00 58.52 C ATOM 1092 C ALA A 20 9.001 -10.968 13.642 1.00 61.63 C ATOM 1093 O ALA A 20 8.514 -12.103 13.739 1.00 63.69 O ATOM 1094 CB ALA A 20 7.341 -9.849 12.176 1.00 56.75 C ATOM 1095 N SER A 21 9.758 -10.415 14.575 1.00 64.22 N ATOM 1096 CA SER A 21 10.079 -11.132 15.789 1.00 66.09 C ATOM 1097 C SER A 21 8.912 -11.635 16.678 1.00 65.35 C ATOM 1098 O SER A 21 8.735 -12.855 16.859 1.00 68.45 O ATOM 1099 CB SER A 21 11.147 -10.334 16.551 1.00 69.00 C ATOM 1100 OG SER A 21 12.296 -10.133 15.718 1.00 69.44 O ATOM 1101 N SER A 22 8.083 -10.722 17.166 1.00 58.81 N ATOM 1102 CA SER A 22 6.975 -11.092 18.024 1.00 51.66 C ATOM 1103 C SER A 22 5.882 -10.093 17.732 1.00 50.62 C ATOM 1104 O SER A 22 6.048 -9.244 16.859 1.00 51.67 O ATOM 1105 CB SER A 22 7.424 -10.968 19.480 1.00 49.58 C ATOM 1106 OG SER A 22 8.069 -9.723 19.731 1.00 47.90 O ATOM 1107 N SER A 23 4.776 -10.164 18.464 1.00 47.84 N ATOM 1108 CA SER A 23 3.693 -9.205 18.273 1.00 44.81 C ATOM 1109 C SER A 23 4.154 -7.884 18.849 1.00 37.83 C ATOM 1110 O SER A 23 3.504 -6.860 18.692 1.00 34.82 O ATOM 1111 CB SER A 23 2.424 -9.679 18.972 1.00 48.17 C ATOM 1112 OG SER A 23 2.749 -10.250 20.229 1.00 53.43 O ATOM 1113 N ASN A 24 5.297 -7.924 19.522 1.00 35.59 N ATOM 1114 CA ASN A 24 5.895 -6.731 20.111 1.00 36.07 C ATOM 1115 C ASN A 24 6.948 -6.087 19.200 1.00 31.32 C ATOM 1116 O ASN A 24 7.414 -4.974 19.450 1.00 30.00 O ATOM 1117 CB ASN A 24 6.549 -7.064 21.450 1.00 41.61 C ATOM 1118 CG ASN A 24 6.523 -5.890 22.401 1.00 45.28 C ATOM 1119 OD1 ASN A 24 7.560 -5.261 22.687 1.00 47.10 O ATOM 1120 ND2 ASN A 24 5.315 -5.560 22.880 1.00 46.92 N ATOM 1121 N TYR A 25 7.292 -6.784 18.134 1.00 27.27 N ATOM 1122 CA TYR A 25 8.293 -6.314 17.198 1.00 27.48 C ATOM 1123 C TYR A 25 8.079 -4.866 16.753 1.00 26.39 C ATOM 1124 O TYR A 25 8.982 -4.035 16.839 1.00 21.47 O ATOM 1125 CB TYR A 25 8.293 -7.245 15.990 1.00 28.64 C ATOM 1126 CG TYR A 25 9.223 -6.813 14.906 1.00 30.15 C ATOM 1127 CD1 TYR A 25 10.570 -7.186 14.934 1.00 33.33 C ATOM 1128 CD2 TYR A 25 8.769 -6.018 13.853 1.00 28.65 C ATOM 1129 CE1 TYR A 25 11.446 -6.778 13.922 1.00 31.90 C ATOM 1130 CE2 TYR A 25 9.627 -5.596 12.862 1.00 28.84 C ATOM 1131 CZ TYR A 25 10.958 -5.988 12.905 1.00 29.20 C ATOM 1132 OH TYR A 25 11.784 -5.628 11.900 1.00 32.32 O ATOM 1133 N CYS A 26 6.869 -4.542 16.307 1.00 27.17 N ATOM 1134 CA CYS A 26 6.609 -3.188 15.832 1.00 24.69 C ATOM 1135 C CYS A 26 6.759 -2.074 16.855 1.00 27.55 C ATOM 1136 O CYS A 26 7.329 -1.023 16.548 1.00 26.59 O ATOM 1137 CB CYS A 26 5.263 -3.115 15.159 1.00 21.36 C ATOM 1138 SG CYS A 26 5.271 -3.943 13.557 1.00 19.23 S ATOM 1139 N ASN A 27 6.283 -2.290 18.077 1.00 29.73 N ATOM 1140 CA ASN A 27 6.407 -1.247 19.099 1.00 30.24 C ATOM 1141 C ASN A 27 7.897 -1.022 19.400 1.00 29.80 C ATOM 1142 O ASN A 27 8.364 0.104 19.565 1.00 30.84 O ATOM 1143 CB ASN A 27 5.658 -1.651 20.376 1.00 29.77 C ATOM 1144 CG ASN A 27 4.198 -1.971 20.119 1.00 28.25 C ATOM 1145 OD1 ASN A 27 3.519 -1.240 19.426 1.00 26.44 O ATOM 1146 ND2 ASN A 27 3.730 -3.092 20.643 1.00 28.07 N ATOM 1147 N GLN A 28 8.642 -2.107 19.419 1.00 29.39 N ATOM 1148 CA GLN A 28 10.062 -2.059 19.682 1.00 35.13 C ATOM 1149 C GLN A 28 10.770 -1.293 18.550 1.00 31.66 C ATOM 1150 O GLN A 28 11.375 -0.247 18.784 1.00 31.80 O ATOM 1151 CB GLN A 28 10.560 -3.507 19.802 1.00 44.89 C ATOM 1152 CG GLN A 28 12.072 -3.697 19.868 1.00 60.96 C ATOM 1153 CD GLN A 28 12.497 -5.179 19.760 1.00 70.50 C ATOM 1154 OE1 GLN A 28 11.639 -6.081 19.651 1.00 75.25 O ATOM 1155 NE2 GLN A 28 13.829 -5.435 19.794 1.00 72.98 N ATOM 1156 N MET A 29 10.614 -1.777 17.317 1.00 29.06 N ATOM 1157 CA MET A 29 11.234 -1.180 16.124 1.00 25.09 C ATOM 1158 C MET A 29 10.885 0.243 15.796 1.00 25.47 C ATOM 1159 O MET A 29 11.752 0.984 15.325 1.00 25.90 O ATOM 1160 CB MET A 29 10.927 -2.006 14.891 1.00 22.45 C ATOM 1161 CG MET A 29 11.706 -3.285 14.878 1.00 31.74 C ATOM 1162 SD MET A 29 13.484 -3.038 15.284 1.00 33.89 S ATOM 1163 CE MET A 29 14.026 -2.313 13.651 1.00 32.96 C ATOM 1164 N MET A 30 9.607 0.606 15.968 1.00 22.60 N ATOM 1165 CA MET A 30 9.129 1.954 15.639 1.00 20.14 C ATOM 1166 C MET A 30 9.747 2.952 16.556 1.00 20.57 C ATOM 1167 O MET A 30 10.092 4.052 16.158 1.00 18.31 O ATOM 1168 CB MET A 30 7.597 2.044 15.694 1.00 17.91 C ATOM 1169 CG MET A 30 6.896 1.220 14.604 1.00 18.09 C ATOM 1170 SD MET A 30 7.184 1.662 12.870 1.00 18.77 S ATOM 1171 CE MET A 30 6.288 3.214 12.712 1.00 12.62 C ATOM 1172 N LYS A 31 9.913 2.550 17.803 1.00 24.50 N ATOM 1173 CA LYS A 31 10.534 3.410 18.767 1.00 22.23 C ATOM 1174 C LYS A 31 12.057 3.540 18.524 1.00 21.57 C ATOM 1175 O LYS A 31 12.619 4.634 18.540 1.00 23.61 O ATOM 1176 CB LYS A 31 10.314 2.851 20.155 1.00 24.58 C ATOM 1177 CG LYS A 31 10.748 3.860 21.110 1.00 27.70 C ATOM 1178 CD LYS A 31 11.112 3.307 22.414 1.00 34.08 C ATOM 1179 CE LYS A 31 11.819 4.428 23.191 1.00 40.65 C ATOM 1180 NZ LYS A 31 11.186 5.810 23.028 1.00 40.83 N ATOM 1181 N SER A 32 12.719 2.425 18.267 1.00 21.32 N ATOM 1182 CA SER A 32 14.152 2.440 18.073 1.00 25.50 C ATOM 1183 C SER A 32 14.664 3.156 16.837 1.00 24.70 C ATOM 1184 O SER A 32 15.827 3.575 16.815 1.00 29.17 O ATOM 1185 CB SER A 32 14.691 1.020 18.093 1.00 30.93 C ATOM 1186 OG SER A 32 14.354 0.347 16.890 1.00 40.95 O ATOM 1187 N ARG A 33 13.853 3.236 15.786 1.00 17.58 N ATOM 1188 CA ARG A 33 14.277 3.920 14.577 1.00 14.46 C ATOM 1189 C ARG A 33 13.819 5.322 14.524 1.00 15.19 C ATOM 1190 O ARG A 33 13.792 5.908 13.453 1.00 17.08 O ATOM 1191 CB ARG A 33 13.746 3.239 13.331 1.00 16.05 C ATOM 1192 CG ARG A 33 14.202 1.810 13.145 1.00 18.13 C ATOM 1193 CD ARG A 33 15.728 1.670 13.239 1.00 15.99 C ATOM 1194 NE ARG A 33 16.118 0.271 13.081 1.00 13.42 N ATOM 1195 CZ ARG A 33 16.330 -0.300 11.903 1.00 15.40 C ATOM 1196 NH1 ARG A 33 16.195 0.430 10.796 1.00 13.84 N ATOM 1197 NH2 ARG A 33 16.606 -1.599 11.819 1.00 12.96 N ATOM 1198 N ASN A 34 13.357 5.830 15.651 1.00 17.48 N ATOM 1199 CA ASN A 34 12.872 7.214 15.785 1.00 21.23 C ATOM 1200 C ASN A 34 11.604 7.577 14.997 1.00 17.68 C ATOM 1201 O ASN A 34 11.459 8.696 14.513 1.00 20.41 O ATOM 1202 CB ASN A 34 13.975 8.241 15.476 1.00 20.80 C ATOM 1203 CG ASN A 34 15.111 8.218 16.475 1.00 24.15 C ATOM 1204 OD1 ASN A 34 14.961 7.854 17.643 1.00 24.34 O ATOM 1205 ND2 ASN A 34 16.265 8.629 16.010 1.00 28.60 N ATOM 1206 N LEU A 35 10.673 6.647 14.904 1.00 21.14 N ATOM 1207 CA LEU A 35 9.422 6.885 14.195 1.00 24.09 C ATOM 1208 C LEU A 35 8.193 7.230 15.115 1.00 27.80 C ATOM 1209 O LEU A 35 7.050 7.311 14.646 1.00 28.30 O ATOM 1210 CB LEU A 35 9.122 5.687 13.270 1.00 22.75 C ATOM 1211 CG LEU A 35 10.204 5.328 12.244 1.00 21.87 C ATOM 1212 CD1 LEU A 35 9.804 4.141 11.396 1.00 14.24 C ATOM 1213 CD2 LEU A 35 10.435 6.561 11.372 1.00 24.44 C ATOM 1214 N THR A 36 8.402 7.387 16.415 1.00 27.18 N ATOM 1215 CA THR A 36 7.290 7.739 17.287 1.00 28.23 C ATOM 1216 C THR A 36 7.743 8.939 18.102 1.00 33.04 C ATOM 1217 O THR A 36 7.142 9.296 19.109 1.00 33.49 O ATOM 1218 CB THR A 36 6.935 6.621 18.252 1.00 24.30 C ATOM 1219 OG1 THR A 36 7.998 6.462 19.175 1.00 25.84 O ATOM 1220 CG2 THR A 36 6.727 5.324 17.548 1.00 22.72 C ATOM 1221 N LYS A 37 8.804 9.566 17.625 1.00 37.47 N ATOM 1222 CA LYS A 37 9.417 10.709 18.271 1.00 41.81 C ATOM 1223 C LYS A 37 8.432 11.868 18.272 1.00 43.27 C ATOM 1224 O LYS A 37 7.853 12.235 19.273 1.00 45.17 O ATOM 1225 CB LYS A 37 10.696 11.056 17.484 1.00 43.30 C ATOM 1226 CG LYS A 37 11.710 11.965 18.140 1.00 45.62 C ATOM 1227 CD LYS A 37 11.226 13.412 18.242 1.00 50.87 C ATOM 1228 CE LYS A 37 10.908 14.073 16.882 1.00 52.87 C ATOM 1229 NZ LYS A 37 10.059 15.323 17.039 1.00 52.48 N ATOM 1230 N ASP A 38 8.271 12.479 17.130 1.00 47.29 N ATOM 1231 CA ASP A 38 7.365 13.607 17.013 1.00 53.27 C ATOM 1232 C ASP A 38 5.890 13.217 17.182 1.00 49.10 C ATOM 1233 O ASP A 38 5.139 13.836 17.940 1.00 47.93 O ATOM 1234 CB ASP A 38 7.615 14.354 15.672 1.00 61.67 C ATOM 1235 CG ASP A 38 7.980 13.407 14.462 1.00 68.25 C ATOM 1236 OD1 ASP A 38 8.545 12.271 14.610 1.00 68.83 O ATOM 1237 OD2 ASP A 38 7.710 13.857 13.320 1.00 70.35 O ATOM 1238 N ARG A 39 5.504 12.164 16.480 1.00 43.51 N ATOM 1239 CA ARG A 39 4.151 11.669 16.508 1.00 36.95 C ATOM 1240 C ARG A 39 4.318 10.185 16.343 1.00 31.83 C ATOM 1241 O ARG A 39 5.440 9.708 16.266 1.00 30.59 O ATOM 1242 CB ARG A 39 3.399 12.236 15.303 1.00 39.23 C ATOM 1243 CG ARG A 39 4.113 12.020 13.981 1.00 42.40 C ATOM 1244 CD ARG A 39 3.437 12.778 12.817 1.00 49.54 C ATOM 1245 NE ARG A 39 2.282 12.096 12.194 1.00 53.80 N ATOM 1246 CZ ARG A 39 2.316 11.425 11.034 1.00 54.57 C ATOM 1247 NH1 ARG A 39 3.450 11.312 10.334 1.00 56.41 N ATOM 1248 NH2 ARG A 39 1.201 10.900 10.546 1.00 55.93 N ATOM 1249 N CYS A 40 3.216 9.451 16.361 1.00 28.67 N ATOM 1250 CA CYS A 40 3.272 8.023 16.112 1.00 27.74 C ATOM 1251 C CYS A 40 3.134 7.952 14.586 1.00 29.26 C ATOM 1252 O CYS A 40 2.177 8.496 14.031 1.00 28.17 O ATOM 1253 CB CYS A 40 2.062 7.304 16.696 1.00 27.48 C ATOM 1254 SG CYS A 40 1.866 7.403 18.491 1.00 29.57 S ATOM 1255 N LYS A 41 4.119 7.397 13.888 1.00 27.14 N ATOM 1256 CA LYS A 41 3.982 7.255 12.441 1.00 23.88 C ATOM 1257 C LYS A 41 2.894 6.152 12.302 1.00 22.44 C ATOM 1258 O LYS A 41 3.042 5.056 12.870 1.00 22.73 O ATOM 1259 CB LYS A 41 5.319 6.827 11.833 1.00 20.50 C ATOM 1260 CG LYS A 41 5.322 6.835 10.343 1.00 17.79 C ATOM 1261 CD LYS A 41 6.594 6.258 9.869 1.00 20.91 C ATOM 1262 CE LYS A 41 6.885 6.757 8.503 1.00 25.95 C ATOM 1263 NZ LYS A 41 6.966 5.610 7.549 1.00 31.48 N ATOM 1264 N PRO A 42 1.804 6.415 11.541 1.00 20.04 N ATOM 1265 CA PRO A 42 0.733 5.414 11.394 1.00 16.83 C ATOM 1266 C PRO A 42 1.085 4.034 10.847 1.00 16.91 C ATOM 1267 O PRO A 42 0.717 3.024 11.417 1.00 16.88 O ATOM 1268 CB PRO A 42 -0.271 6.117 10.475 1.00 13.58 C ATOM 1269 CG PRO A 42 0.036 7.592 10.689 1.00 17.95 C ATOM 1270 CD PRO A 42 1.525 7.605 10.710 1.00 17.46 C ATOM 1271 N VAL A 43 1.762 3.999 9.711 1.00 17.37 N ATOM 1272 CA VAL A 43 2.083 2.745 9.054 1.00 17.32 C ATOM 1273 C VAL A 43 3.574 2.744 8.693 1.00 20.04 C ATOM 1274 O VAL A 43 4.129 3.794 8.379 1.00 21.80 O ATOM 1275 CB VAL A 43 1.265 2.635 7.697 1.00 19.01 C ATOM 1276 CG1 VAL A 43 1.410 1.264 7.064 1.00 19.31 C ATOM 1277 CG2 VAL A 43 -0.186 2.938 7.913 1.00 18.93 C ATOM 1278 N ASN A 44 4.230 1.593 8.813 1.00 17.43 N ATOM 1279 CA ASN A 44 5.639 1.456 8.407 1.00 18.08 C ATOM 1280 C ASN A 44 6.007 0.010 8.053 1.00 14.47 C ATOM 1281 O ASN A 44 5.554 -0.917 8.696 1.00 17.54 O ATOM 1282 CB ASN A 44 6.620 2.017 9.450 1.00 15.89 C ATOM 1283 CG ASN A 44 8.017 2.199 8.867 1.00 15.05 C ATOM 1284 OD1 ASN A 44 8.227 3.066 8.010 1.00 19.48 O ATOM 1285 ND2 ASN A 44 8.942 1.323 9.238 1.00 8.53 N ATOM 1286 N THR A 45 6.748 -0.180 6.977 1.00 11.93 N ATOM 1287 CA THR A 45 7.171 -1.501 6.576 1.00 12.29 C ATOM 1288 C THR A 45 8.667 -1.691 6.810 1.00 13.97 C ATOM 1289 O THR A 45 9.474 -0.868 6.379 1.00 15.86 O ATOM 1290 CB THR A 45 6.925 -1.706 5.090 1.00 14.43 C ATOM 1291 OG1 THR A 45 5.543 -1.488 4.815 1.00 17.91 O ATOM 1292 CG2 THR A 45 7.247 -3.126 4.688 1.00 14.68 C ATOM 1293 N PHE A 46 9.037 -2.817 7.413 1.00 12.59 N ATOM 1294 CA PHE A 46 10.428 -3.105 7.657 1.00 14.95 C ATOM 1295 C PHE A 46 10.753 -4.265 6.770 1.00 15.20 C ATOM 1296 O PHE A 46 9.982 -5.207 6.724 1.00 14.31 O ATOM 1297 CB PHE A 46 10.669 -3.498 9.127 1.00 18.70 C ATOM 1298 CG PHE A 46 10.672 -2.326 10.073 1.00 17.79 C ATOM 1299 CD1 PHE A 46 11.770 -1.480 10.142 1.00 16.39 C ATOM 1300 CD2 PHE A 46 9.572 -2.043 10.847 1.00 16.55 C ATOM 1301 CE1 PHE A 46 11.767 -0.366 10.953 1.00 15.18 C ATOM 1302 CE2 PHE A 46 9.563 -0.934 11.663 1.00 15.08 C ATOM 1303 CZ PHE A 46 10.661 -0.090 11.717 1.00 17.82 C ATOM 1304 N VAL A 47 11.921 -4.237 6.123 1.00 16.01 N ATOM 1305 CA VAL A 47 12.336 -5.298 5.218 1.00 14.54 C ATOM 1306 C VAL A 47 13.461 -6.130 5.863 1.00 15.92 C ATOM 1307 O VAL A 47 14.450 -5.574 6.371 1.00 18.31 O ATOM 1308 CB VAL A 47 12.774 -4.707 3.787 1.00 17.53 C ATOM 1309 CG1 VAL A 47 13.160 -5.862 2.793 1.00 10.88 C ATOM 1310 CG2 VAL A 47 11.669 -3.757 3.192 1.00 14.15 C ATOM 1311 N HIS A 48 13.298 -7.454 5.829 1.00 15.52 N ATOM 1312 CA HIS A 48 14.271 -8.380 6.418 1.00 22.24 C ATOM 1313 C HIS A 48 15.133 -9.044 5.380 1.00 21.31 C ATOM 1314 O HIS A 48 15.067 -10.252 5.215 1.00 26.27 O ATOM 1315 CB HIS A 48 13.582 -9.499 7.206 1.00 22.04 C ATOM 1316 CG HIS A 48 12.702 -9.007 8.297 1.00 21.88 C ATOM 1317 ND1 HIS A 48 13.194 -8.374 9.415 1.00 23.34 N ATOM 1318 CD2 HIS A 48 11.356 -8.994 8.409 1.00 22.08 C ATOM 1319 CE1 HIS A 48 12.184 -7.994 10.172 1.00 27.32 C ATOM 1320 NE2 HIS A 48 11.057 -8.355 9.582 1.00 25.15 N ATOM 1321 N GLU A 49 15.906 -8.270 4.640 1.00 19.40 N ATOM 1322 CA GLU A 49 16.753 -8.864 3.635 1.00 20.14 C ATOM 1323 C GLU A 49 18.059 -8.148 3.708 1.00 18.68 C ATOM 1324 O GLU A 49 18.161 -7.065 4.297 1.00 18.87 O ATOM 1325 CB GLU A 49 16.148 -8.692 2.231 1.00 20.17 C ATOM 1326 CG GLU A 49 14.838 -9.426 2.035 1.00 25.10 C ATOM 1327 CD GLU A 49 14.981 -10.957 2.053 1.00 26.44 C ATOM 1328 OE1 GLU A 49 16.109 -11.442 1.899 1.00 30.01 O ATOM 1329 OE2 GLU A 49 13.970 -11.687 2.153 1.00 24.75 O ATOM 1330 N SER A 50 19.077 -8.743 3.116 1.00 18.90 N ATOM 1331 CA SER A 50 20.356 -8.064 3.110 1.00 21.56 C ATOM 1332 C SER A 50 20.224 -6.766 2.292 1.00 16.38 C ATOM 1333 O SER A 50 19.456 -6.680 1.338 1.00 16.50 O ATOM 1334 CB SER A 50 21.449 -8.985 2.557 1.00 19.09 C ATOM 1335 OG SER A 50 21.155 -9.405 1.257 1.00 23.47 O ATOM 1336 N LEU A 51 20.973 -5.756 2.690 1.00 14.11 N ATOM 1337 CA LEU A 51 20.981 -4.484 2.002 1.00 15.52 C ATOM 1338 C LEU A 51 21.301 -4.668 0.558 1.00 14.83 C ATOM 1339 O LEU A 51 20.752 -3.968 -0.272 1.00 17.74 O ATOM 1340 CB LEU A 51 21.971 -3.516 2.637 1.00 17.83 C ATOM 1341 CG LEU A 51 22.110 -2.086 2.115 1.00 21.45 C ATOM 1342 CD1 LEU A 51 20.815 -1.311 2.206 1.00 18.34 C ATOM 1343 CD2 LEU A 51 23.227 -1.424 2.957 1.00 25.12 C ATOM 1344 N ALA A 52 22.164 -5.624 0.252 1.00 14.56 N ATOM 1345 CA ALA A 52 22.521 -5.889 -1.122 1.00 13.39 C ATOM 1346 C ALA A 52 21.352 -6.460 -1.901 1.00 11.70 C ATOM 1347 O ALA A 52 21.201 -6.130 -3.067 1.00 14.55 O ATOM 1348 CB ALA A 52 23.723 -6.823 -1.214 1.00 15.42 C ATOM 1349 N ASP A 53 20.516 -7.309 -1.297 1.00 15.51 N ATOM 1350 CA ASP A 53 19.378 -7.850 -2.055 1.00 14.03 C ATOM 1351 C ASP A 53 18.376 -6.764 -2.337 1.00 14.52 C ATOM 1352 O ASP A 53 17.762 -6.750 -3.369 1.00 14.78 O ATOM 1353 CB ASP A 53 18.708 -9.017 -1.345 1.00 22.30 C ATOM 1354 CG ASP A 53 19.557 -10.299 -1.385 1.00 27.79 C ATOM 1355 OD1 ASP A 53 20.542 -10.344 -2.155 1.00 28.26 O ATOM 1356 OD2 ASP A 53 19.241 -11.262 -0.638 1.00 32.16 O ATOM 1357 N VAL A 54 18.249 -5.821 -1.423 1.00 16.43 N ATOM 1358 CA VAL A 54 17.326 -4.730 -1.604 1.00 16.51 C ATOM 1359 C VAL A 54 17.838 -3.697 -2.601 1.00 15.18 C ATOM 1360 O VAL A 54 17.099 -3.274 -3.471 1.00 12.67 O ATOM 1361 CB VAL A 54 16.955 -4.099 -0.254 1.00 17.82 C ATOM 1362 CG1 VAL A 54 15.909 -2.965 -0.449 1.00 17.43 C ATOM 1363 CG2 VAL A 54 16.409 -5.182 0.649 1.00 15.76 C ATOM 1364 N GLN A 55 19.099 -3.286 -2.509 1.00 14.40 N ATOM 1365 CA GLN A 55 19.606 -2.317 -3.483 1.00 13.53 C ATOM 1366 C GLN A 55 19.513 -2.881 -4.896 1.00 9.55 C ATOM 1367 O GLN A 55 19.387 -2.135 -5.849 1.00 9.80 O ATOM 1368 CB GLN A 55 21.035 -1.939 -3.152 1.00 18.70 C ATOM 1369 CG GLN A 55 21.170 -1.474 -1.724 1.00 21.27 C ATOM 1370 CD GLN A 55 22.569 -1.050 -1.419 1.00 25.53 C ATOM 1371 OE1 GLN A 55 22.790 0.028 -0.847 1.00 25.45 O ATOM 1372 NE2 GLN A 55 23.538 -1.876 -1.817 1.00 20.94 N ATOM 1373 N ALA A 56 19.528 -4.206 -4.991 1.00 9.34 N ATOM 1374 CA ALA A 56 19.442 -4.960 -6.240 1.00 8.36 C ATOM 1375 C ALA A 56 18.115 -4.763 -6.967 1.00 10.97 C ATOM 1376 O ALA A 56 18.062 -4.918 -8.182 1.00 10.04 O ATOM 1377 CB ALA A 56 19.664 -6.438 -5.969 1.00 9.24 C ATOM 1378 N VAL A 57 17.060 -4.388 -6.227 1.00 13.09 N ATOM 1379 CA VAL A 57 15.733 -4.127 -6.796 1.00 8.27 C ATOM 1380 C VAL A 57 15.715 -2.957 -7.794 1.00 7.85 C ATOM 1381 O VAL A 57 14.947 -2.968 -8.775 1.00 8.92 O ATOM 1382 CB VAL A 57 14.698 -3.980 -5.677 1.00 7.13 C ATOM 1383 CG1 VAL A 57 13.341 -3.685 -6.220 1.00 2.86 C ATOM 1384 CG2 VAL A 57 14.628 -5.302 -4.937 1.00 7.12 C ATOM 1385 N CYS A 58 16.663 -2.033 -7.640 1.00 9.41 N ATOM 1386 CA CYS A 58 16.806 -0.872 -8.532 1.00 13.03 C ATOM 1387 C CYS A 58 17.238 -1.244 -9.963 1.00 15.14 C ATOM 1388 O CYS A 58 17.311 -0.389 -10.829 1.00 15.80 O ATOM 1389 CB CYS A 58 17.797 0.125 -7.963 1.00 12.01 C ATOM 1390 SG CYS A 58 17.277 0.832 -6.381 1.00 15.10 S ATOM 1391 N SER A 59 17.523 -2.532 -10.164 1.00 16.94 N ATOM 1392 CA SER A 59 17.935 -3.126 -11.427 1.00 23.28 C ATOM 1393 C SER A 59 16.948 -4.224 -11.828 1.00 21.17 C ATOM 1394 O SER A 59 17.289 -5.073 -12.635 1.00 21.50 O ATOM 1395 CB SER A 59 19.327 -3.754 -11.253 1.00 25.08 C ATOM 1396 OG SER A 59 20.319 -2.730 -11.052 1.00 34.75 O ATOM 1397 N GLN A 60 15.759 -4.238 -11.214 1.00 21.02 N ATOM 1398 CA GLN A 60 14.766 -5.246 -11.492 1.00 13.99 C ATOM 1399 C GLN A 60 13.603 -4.709 -12.304 1.00 17.87 C ATOM 1400 O GLN A 60 13.866 -3.966 -13.240 1.00 18.22 O ATOM 1401 CB GLN A 60 14.387 -5.991 -10.222 1.00 14.66 C ATOM 1402 CG GLN A 60 15.505 -6.957 -9.864 1.00 15.63 C ATOM 1403 CD GLN A 60 15.384 -7.575 -8.515 1.00 14.30 C ATOM 1404 OE1 GLN A 60 14.309 -7.697 -7.990 1.00 17.40 O ATOM 1405 NE2 GLN A 60 16.508 -8.017 -7.954 1.00 12.06 N ATOM 1406 N LYS A 61 12.348 -5.024 -11.960 1.00 19.31 N ATOM 1407 CA LYS A 61 11.171 -4.603 -12.772 1.00 19.65 C ATOM 1408 C LYS A 61 10.701 -3.170 -12.639 1.00 16.20 C ATOM 1409 O LYS A 61 10.119 -2.780 -11.644 1.00 17.79 O ATOM 1410 CB LYS A 61 10.008 -5.542 -12.521 1.00 22.60 C ATOM 1411 CG LYS A 61 8.892 -5.406 -13.504 1.00 28.65 C ATOM 1412 CD LYS A 61 7.556 -5.633 -12.797 1.00 36.14 C ATOM 1413 CE LYS A 61 6.756 -6.818 -13.339 1.00 39.16 C ATOM 1414 NZ LYS A 61 6.770 -8.027 -12.417 1.00 42.60 N ATOM 1415 N ASN A 62 10.850 -2.408 -13.697 1.00 13.66 N ATOM 1416 CA ASN A 62 10.473 -0.998 -13.667 1.00 16.48 C ATOM 1417 C ASN A 62 8.973 -0.794 -13.768 1.00 16.61 C ATOM 1418 O ASN A 62 8.319 -1.308 -14.691 1.00 20.60 O ATOM 1419 CB ASN A 62 11.217 -0.246 -14.786 1.00 16.99 C ATOM 1420 CG ASN A 62 10.832 1.218 -14.883 1.00 18.30 C ATOM 1421 OD1 ASN A 62 10.328 1.668 -15.916 1.00 24.42 O ATOM 1422 ND2 ASN A 62 11.060 1.959 -13.820 1.00 14.40 N ATOM 1423 N VAL A 63 8.449 -0.006 -12.834 1.00 20.08 N ATOM 1424 CA VAL A 63 7.008 0.299 -12.736 1.00 14.27 C ATOM 1425 C VAL A 63 6.821 1.781 -12.354 1.00 12.54 C ATOM 1426 O VAL A 63 7.751 2.427 -11.889 1.00 15.12 O ATOM 1427 CB VAL A 63 6.376 -0.622 -11.635 1.00 11.19 C ATOM 1428 CG1 VAL A 63 6.618 -2.104 -11.958 1.00 8.50 C ATOM 1429 CG2 VAL A 63 6.993 -0.329 -10.220 1.00 11.42 C ATOM 1430 N ALA A 64 5.642 2.341 -12.572 1.00 13.96 N ATOM 1431 CA ALA A 64 5.363 3.728 -12.156 1.00 15.79 C ATOM 1432 C ALA A 64 5.150 3.782 -10.620 1.00 17.88 C ATOM 1433 O ALA A 64 4.685 2.793 -10.013 1.00 18.47 O ATOM 1434 CB ALA A 64 4.102 4.240 -12.837 1.00 13.94 C ATOM 1435 N CYS A 65 5.488 4.915 -9.997 1.00 18.09 N ATOM 1436 CA CYS A 65 5.325 5.081 -8.554 1.00 16.31 C ATOM 1437 C CYS A 65 3.916 5.571 -8.311 1.00 15.27 C ATOM 1438 O CYS A 65 3.260 6.019 -9.231 1.00 14.08 O ATOM 1439 CB CYS A 65 6.312 6.115 -7.959 1.00 17.48 C ATOM 1440 SG CYS A 65 8.086 5.841 -8.280 1.00 21.10 S ATOM 1441 N LYS A 66 3.491 5.519 -7.064 1.00 15.26 N ATOM 1442 CA LYS A 66 2.176 5.992 -6.670 1.00 20.66 C ATOM 1443 C LYS A 66 2.083 7.437 -7.016 1.00 21.79 C ATOM 1444 O LYS A 66 1.025 7.905 -7.368 1.00 25.00 O ATOM 1445 CB LYS A 66 1.978 5.908 -5.176 1.00 21.09 C ATOM 1446 CG LYS A 66 1.932 4.533 -4.721 1.00 33.86 C ATOM 1447 CD LYS A 66 1.638 4.504 -3.251 1.00 43.48 C ATOM 1448 CE LYS A 66 1.272 3.077 -2.822 1.00 50.52 C ATOM 1449 NZ LYS A 66 0.037 2.524 -3.467 1.00 54.08 N ATOM 1450 N ASN A 67 3.179 8.163 -6.881 1.00 22.55 N ATOM 1451 CA ASN A 67 3.144 9.585 -7.191 1.00 24.91 C ATOM 1452 C ASN A 67 3.225 9.870 -8.683 1.00 23.99 C ATOM 1453 O ASN A 67 3.303 11.026 -9.064 1.00 27.69 O ATOM 1454 CB ASN A 67 4.239 10.386 -6.439 1.00 25.31 C ATOM 1455 CG ASN A 67 5.655 10.133 -6.976 1.00 25.36 C ATOM 1456 OD1 ASN A 67 5.893 9.277 -7.835 1.00 26.05 O ATOM 1457 ND2 ASN A 67 6.589 10.918 -6.495 1.00 26.77 N ATOM 1458 N GLY A 68 3.315 8.835 -9.511 1.00 22.15 N ATOM 1459 CA GLY A 68 3.358 9.044 -10.953 1.00 20.20 C ATOM 1460 C GLY A 68 4.722 9.104 -11.576 1.00 21.27 C ATOM 1461 O GLY A 68 4.852 9.138 -12.780 1.00 21.79 O ATOM 1462 N GLN A 69 5.746 9.116 -10.744 1.00 25.41 N ATOM 1463 CA GLN A 69 7.111 9.131 -11.230 1.00 24.71 C ATOM 1464 C GLN A 69 7.385 7.757 -11.776 1.00 21.99 C ATOM 1465 O GLN A 69 6.699 6.794 -11.449 1.00 23.66 O ATOM 1466 CB GLN A 69 8.048 9.430 -10.085 1.00 29.53 C ATOM 1467 CG GLN A 69 7.779 10.772 -9.470 1.00 39.24 C ATOM 1468 CD GLN A 69 8.897 11.209 -8.561 1.00 46.83 C ATOM 1469 OE1 GLN A 69 9.476 10.391 -7.824 1.00 50.81 O ATOM 1470 NE2 GLN A 69 9.233 12.504 -8.613 1.00 47.90 N ATOM 1471 N THR A 70 8.419 7.639 -12.577 1.00 16.59 N ATOM 1472 CA THR A 70 8.695 6.365 -13.156 1.00 17.18 C ATOM 1473 C THR A 70 9.996 5.755 -12.755 1.00 12.27 C ATOM 1474 O THR A 70 10.444 4.859 -13.448 1.00 15.25 O ATOM 1475 CB THR A 70 8.607 6.416 -14.685 1.00 21.93 C ATOM 1476 OG1 THR A 70 9.162 7.649 -15.139 1.00 26.94 O ATOM 1477 CG2 THR A 70 7.152 6.341 -15.140 1.00 27.84 C ATOM 1478 N ASN A 71 10.569 6.180 -11.625 1.00 12.83 N ATOM 1479 CA ASN A 71 11.824 5.629 -11.107 1.00 13.80 C ATOM 1480 C ASN A 71 11.568 4.634 -9.976 1.00 16.21 C ATOM 1481 O ASN A 71 12.316 4.588 -8.973 1.00 16.68 O ATOM 1482 CB ASN A 71 12.725 6.737 -10.574 1.00 14.41 C ATOM 1483 CG ASN A 71 12.094 7.488 -9.446 1.00 15.55 C ATOM 1484 OD1 ASN A 71 10.974 7.925 -9.589 1.00 18.26 O ATOM 1485 ND2 ASN A 71 12.788 7.640 -8.326 1.00 9.39 N ATOM 1486 N CYS A 72 10.534 3.821 -10.143 1.00 11.46 N ATOM 1487 CA CYS A 72 10.148 2.816 -9.156 1.00 12.97 C ATOM 1488 C CYS A 72 10.457 1.429 -9.679 1.00 11.03 C ATOM 1489 O CYS A 72 10.432 1.196 -10.888 1.00 13.13 O ATOM 1490 CB CYS A 72 8.651 2.939 -8.756 1.00 11.45 C ATOM 1491 SG CYS A 72 8.450 4.074 -7.344 1.00 16.83 S ATOM 1492 N TYR A 73 10.852 0.536 -8.776 1.00 9.14 N ATOM 1493 CA TYR A 73 11.194 -0.814 -9.159 1.00 8.74 C ATOM 1494 C TYR A 73 10.542 -1.845 -8.246 1.00 12.44 C ATOM 1495 O TYR A 73 10.501 -1.673 -7.026 1.00 14.10 O ATOM 1496 CB TYR A 73 12.720 -0.991 -9.176 1.00 9.55 C ATOM 1497 CG TYR A 73 13.387 -0.070 -10.169 1.00 10.41 C ATOM 1498 CD1 TYR A 73 13.693 1.241 -9.822 1.00 11.49 C ATOM 1499 CD2 TYR A 73 13.619 -0.488 -11.483 1.00 10.72 C ATOM 1500 CE1 TYR A 73 14.187 2.115 -10.743 1.00 11.78 C ATOM 1501 CE2 TYR A 73 14.131 0.378 -12.412 1.00 16.16 C ATOM 1502 CZ TYR A 73 14.402 1.683 -12.030 1.00 16.01 C ATOM 1503 OH TYR A 73 14.860 2.581 -12.970 1.00 22.35 O ATOM 1504 N GLN A 74 10.053 -2.922 -8.855 1.00 10.94 N ATOM 1505 CA GLN A 74 9.418 -3.991 -8.143 1.00 10.97 C ATOM 1506 C GLN A 74 10.343 -5.213 -8.096 1.00 12.86 C ATOM 1507 O GLN A 74 10.865 -5.640 -9.123 1.00 15.79 O ATOM 1508 CB GLN A 74 8.123 -4.357 -8.850 1.00 10.66 C ATOM 1509 CG GLN A 74 7.386 -5.426 -8.102 1.00 17.53 C ATOM 1510 CD GLN A 74 6.154 -5.856 -8.815 1.00 22.34 C ATOM 1511 OE1 GLN A 74 5.186 -5.111 -8.890 1.00 31.34 O ATOM 1512 NE2 GLN A 74 6.176 -7.052 -9.368 1.00 25.91 N ATOM 1513 N SER A 75 10.494 -5.813 -6.922 1.00 15.02 N ATOM 1514 CA SER A 75 11.323 -6.980 -6.809 1.00 11.25 C ATOM 1515 C SER A 75 10.725 -8.133 -7.598 1.00 16.88 C ATOM 1516 O SER A 75 9.503 -8.296 -7.674 1.00 18.12 O ATOM 1517 CB SER A 75 11.523 -7.381 -5.360 1.00 11.09 C ATOM 1518 OG SER A 75 10.307 -7.639 -4.666 1.00 11.86 O ATOM 1519 N TYR A 76 11.606 -8.886 -8.246 1.00 15.79 N ATOM 1520 CA TYR A 76 11.224 -10.040 -9.000 1.00 14.99 C ATOM 1521 C TYR A 76 10.768 -11.095 -7.965 1.00 16.30 C ATOM 1522 O TYR A 76 9.784 -11.783 -8.161 1.00 15.76 O ATOM 1523 CB TYR A 76 12.447 -10.558 -9.778 1.00 18.40 C ATOM 1524 CG TYR A 76 12.823 -9.788 -11.058 1.00 17.44 C ATOM 1525 CD1 TYR A 76 11.863 -9.081 -11.807 1.00 15.84 C ATOM 1526 CD2 TYR A 76 14.156 -9.785 -11.512 1.00 18.30 C ATOM 1527 CE1 TYR A 76 12.220 -8.400 -12.976 1.00 15.45 C ATOM 1528 CE2 TYR A 76 14.540 -9.095 -12.672 1.00 15.31 C ATOM 1529 CZ TYR A 76 13.573 -8.408 -13.396 1.00 18.20 C ATOM 1530 OH TYR A 76 13.975 -7.716 -14.508 1.00 18.61 O ATOM 1531 N SER A 77 11.498 -11.211 -6.862 1.00 12.88 N ATOM 1532 CA SER A 77 11.198 -12.166 -5.818 1.00 13.47 C ATOM 1533 C SER A 77 10.353 -11.573 -4.649 1.00 14.73 C ATOM 1534 O SER A 77 10.195 -10.350 -4.504 1.00 13.54 O ATOM 1535 CB SER A 77 12.516 -12.705 -5.249 1.00 12.11 C ATOM 1536 OG SER A 77 13.292 -13.332 -6.247 1.00 22.31 O ATOM 1537 N THR A 78 9.780 -12.450 -3.833 1.00 13.81 N ATOM 1538 CA THR A 78 9.023 -11.984 -2.700 1.00 16.66 C ATOM 1539 C THR A 78 10.090 -11.889 -1.654 1.00 14.34 C ATOM 1540 O THR A 78 11.035 -12.636 -1.691 1.00 13.68 O ATOM 1541 CB THR A 78 7.943 -13.002 -2.225 1.00 18.42 C ATOM 1542 OG1 THR A 78 8.561 -14.268 -1.930 1.00 20.13 O ATOM 1543 CG2 THR A 78 6.837 -13.157 -3.271 1.00 14.67 C ATOM 1544 N MET A 79 9.953 -10.952 -0.741 1.00 15.99 N ATOM 1545 CA MET A 79 10.923 -10.767 0.312 1.00 14.07 C ATOM 1546 C MET A 79 10.222 -10.809 1.675 1.00 16.22 C ATOM 1547 O MET A 79 9.011 -10.595 1.763 1.00 18.71 O ATOM 1548 CB MET A 79 11.627 -9.411 0.108 1.00 16.78 C ATOM 1549 CG MET A 79 12.402 -9.259 -1.221 1.00 17.20 C ATOM 1550 SD MET A 79 13.352 -7.721 -1.222 1.00 22.25 S ATOM 1551 CE MET A 79 14.676 -8.033 -2.325 1.00 16.36 C ATOM 1552 N SER A 80 10.995 -11.025 2.734 1.00 15.60 N ATOM 1553 CA SER A 80 10.482 -11.089 4.074 1.00 15.14 C ATOM 1554 C SER A 80 10.242 -9.696 4.610 1.00 16.81 C ATOM 1555 O SER A 80 11.184 -8.915 4.742 1.00 17.41 O ATOM 1556 CB SER A 80 11.462 -11.823 4.964 1.00 14.75 C ATOM 1557 OG SER A 80 11.106 -11.630 6.315 1.00 21.72 O ATOM 1558 N ILE A 81 8.979 -9.374 4.906 1.00 13.79 N ATOM 1559 CA ILE A 81 8.638 -8.058 5.435 1.00 15.50 C ATOM 1560 C ILE A 81 7.743 -8.112 6.658 1.00 14.51 C ATOM 1561 O ILE A 81 7.075 -9.105 6.924 1.00 13.77 O ATOM 1562 CB ILE A 81 7.949 -7.116 4.394 1.00 17.24 C ATOM 1563 CG1 ILE A 81 6.618 -7.704 3.920 1.00 18.64 C ATOM 1564 CG2 ILE A 81 8.907 -6.787 3.242 1.00 19.11 C ATOM 1565 CD1 ILE A 81 5.530 -6.665 3.700 1.00 18.00 C ATOM 1566 N THR A 82 7.722 -7.007 7.381 1.00 16.71 N ATOM 1567 CA THR A 82 6.901 -6.849 8.577 1.00 18.28 C ATOM 1568 C THR A 82 6.224 -5.521 8.420 1.00 19.38 C ATOM 1569 O THR A 82 6.867 -4.477 8.293 1.00 21.88 O ATOM 1570 CB THR A 82 7.708 -6.796 9.870 1.00 15.90 C ATOM 1571 OG1 THR A 82 8.393 -8.032 10.052 1.00 17.55 O ATOM 1572 CG2 THR A 82 6.806 -6.562 11.036 1.00 13.94 C ATOM 1573 N ASP A 83 4.913 -5.582 8.408 1.00 20.65 N ATOM 1574 CA ASP A 83 4.093 -4.419 8.261 1.00 21.82 C ATOM 1575 C ASP A 83 3.700 -3.946 9.628 1.00 18.82 C ATOM 1576 O ASP A 83 3.231 -4.735 10.402 1.00 19.04 O ATOM 1577 CB ASP A 83 2.852 -4.859 7.533 1.00 31.88 C ATOM 1578 CG ASP A 83 2.096 -3.721 6.963 1.00 42.61 C ATOM 1579 OD1 ASP A 83 1.255 -3.120 7.701 1.00 47.27 O ATOM 1580 OD2 ASP A 83 2.366 -3.440 5.764 1.00 49.31 O ATOM 1581 N CYS A 84 3.878 -2.673 9.919 1.00 15.61 N ATOM 1582 CA CYS A 84 3.479 -2.115 11.211 1.00 20.87 C ATOM 1583 C CYS A 84 2.352 -1.103 11.049 1.00 19.75 C ATOM 1584 O CYS A 84 2.495 -0.106 10.359 1.00 25.04 O ATOM 1585 CB CYS A 84 4.635 -1.402 11.913 1.00 18.05 C ATOM 1586 SG CYS A 84 6.006 -2.512 12.301 1.00 21.96 S ATOM 1587 N ARG A 85 1.277 -1.294 11.779 1.00 17.34 N ATOM 1588 CA ARG A 85 0.183 -0.387 11.654 1.00 17.41 C ATOM 1589 C ARG A 85 -0.369 -0.038 13.025 1.00 18.03 C ATOM 1590 O ARG A 85 -0.529 -0.880 13.914 1.00 17.38 O ATOM 1591 CB ARG A 85 -0.835 -1.053 10.778 1.00 20.97 C ATOM 1592 CG ARG A 85 -2.012 -0.223 10.447 1.00 23.14 C ATOM 1593 CD ARG A 85 -2.480 -0.671 9.086 1.00 21.23 C ATOM 1594 NE ARG A 85 -3.218 0.430 8.566 1.00 22.84 N ATOM 1595 CZ ARG A 85 -3.182 0.865 7.331 1.00 18.11 C ATOM 1596 NH1 ARG A 85 -2.432 0.291 6.398 1.00 18.50 N ATOM 1597 NH2 ARG A 85 -3.893 1.929 7.071 1.00 20.35 N ATOM 1598 N GLU A 86 -0.543 1.256 13.207 1.00 18.82 N ATOM 1599 CA GLU A 86 -1.028 1.827 14.442 1.00 19.88 C ATOM 1600 C GLU A 86 -2.450 1.314 14.758 1.00 22.51 C ATOM 1601 O GLU A 86 -3.303 1.249 13.848 1.00 24.06 O ATOM 1602 CB GLU A 86 -1.003 3.347 14.262 1.00 16.96 C ATOM 1603 CG GLU A 86 -1.069 4.105 15.526 1.00 23.80 C ATOM 1604 CD GLU A 86 -1.070 5.600 15.329 1.00 25.11 C ATOM 1605 OE1 GLU A 86 -1.251 6.086 14.192 1.00 24.62 O ATOM 1606 OE2 GLU A 86 -0.872 6.299 16.344 1.00 29.98 O ATOM 1607 N THR A 87 -2.682 0.892 16.008 1.00 22.66 N ATOM 1608 CA THR A 87 -4.003 0.409 16.458 1.00 22.99 C ATOM 1609 C THR A 87 -5.000 1.590 16.513 1.00 25.56 C ATOM 1610 O THR A 87 -4.597 2.763 16.500 1.00 25.47 O ATOM 1611 CB THR A 87 -3.941 -0.258 17.863 1.00 21.17 C ATOM 1612 OG1 THR A 87 -3.586 0.722 18.839 1.00 23.73 O ATOM 1613 CG2 THR A 87 -2.918 -1.367 17.917 1.00 19.09 C ATOM 1614 N GLY A 88 -6.297 1.289 16.583 1.00 31.22 N ATOM 1615 CA GLY A 88 -7.299 2.345 16.629 1.00 36.58 C ATOM 1616 C GLY A 88 -7.258 3.151 17.925 1.00 42.02 C ATOM 1617 O GLY A 88 -7.685 4.320 17.962 1.00 41.97 O ATOM 1618 N SER A 89 -6.714 2.519 18.973 1.00 43.87 N ATOM 1619 CA SER A 89 -6.598 3.096 20.315 1.00 45.33 C ATOM 1620 C SER A 89 -5.295 3.814 20.642 1.00 44.08 C ATOM 1621 O SER A 89 -5.203 4.516 21.652 1.00 44.97 O ATOM 1622 CB SER A 89 -6.841 2.000 21.357 1.00 46.92 C ATOM 1623 OG SER A 89 -6.188 0.781 21.013 1.00 52.24 O ATOM 1624 N SER A 90 -4.275 3.584 19.825 1.00 41.87 N ATOM 1625 CA SER A 90 -2.963 4.187 20.026 1.00 37.42 C ATOM 1626 C SER A 90 -2.983 5.715 20.049 1.00 39.61 C ATOM 1627 O SER A 90 -3.501 6.350 19.128 1.00 39.33 O ATOM 1628 CB SER A 90 -2.025 3.718 18.929 1.00 31.13 C ATOM 1629 OG SER A 90 -0.830 4.472 18.934 1.00 29.15 O ATOM 1630 N LYS A 91 -2.348 6.293 21.074 1.00 42.00 N ATOM 1631 CA LYS A 91 -2.253 7.742 21.217 1.00 43.60 C ATOM 1632 C LYS A 91 -0.847 8.168 21.646 1.00 42.96 C ATOM 1633 O LYS A 91 -0.286 7.651 22.613 1.00 43.55 O ATOM 1634 CB LYS A 91 -3.275 8.267 22.225 1.00 48.37 C ATOM 1635 CG LYS A 91 -3.910 9.590 21.803 1.00 55.37 C ATOM 1636 CD LYS A 91 -4.714 10.215 22.941 1.00 64.42 C ATOM 1637 CE LYS A 91 -3.792 11.001 23.905 1.00 70.13 C ATOM 1638 NZ LYS A 91 -4.435 11.553 25.151 1.00 71.77 N ATOM 1639 N TYR A 92 -0.284 9.108 20.910 1.00 38.54 N ATOM 1640 CA TYR A 92 1.024 9.617 21.213 1.00 41.18 C ATOM 1641 C TYR A 92 0.922 10.270 22.569 1.00 44.43 C ATOM 1642 O TYR A 92 0.013 11.061 22.788 1.00 47.63 O ATOM 1643 CB TYR A 92 1.391 10.671 20.184 1.00 42.73 C ATOM 1644 CG TYR A 92 2.702 11.359 20.468 1.00 45.82 C ATOM 1645 CD1 TYR A 92 3.917 10.762 20.140 1.00 46.55 C ATOM 1646 CD2 TYR A 92 2.723 12.609 21.071 1.00 48.60 C ATOM 1647 CE1 TYR A 92 5.131 11.404 20.408 1.00 50.74 C ATOM 1648 CE2 TYR A 92 3.921 13.263 21.350 1.00 51.31 C ATOM 1649 CZ TYR A 92 5.126 12.665 21.017 1.00 52.06 C ATOM 1650 OH TYR A 92 6.302 13.340 21.301 1.00 51.71 O ATOM 1651 N PRO A 93 1.923 10.090 23.444 1.00 45.78 N ATOM 1652 CA PRO A 93 3.202 9.373 23.434 1.00 46.19 C ATOM 1653 C PRO A 93 3.174 7.855 23.509 1.00 46.10 C ATOM 1654 O PRO A 93 4.218 7.194 23.480 1.00 45.80 O ATOM 1655 CB PRO A 93 3.878 9.919 24.679 1.00 47.67 C ATOM 1656 CG PRO A 93 2.720 10.116 25.607 1.00 46.75 C ATOM 1657 CD PRO A 93 1.796 10.853 24.699 1.00 46.51 C ATOM 1658 N ASN A 94 1.996 7.285 23.625 1.00 47.20 N ATOM 1659 CA ASN A 94 1.920 5.845 23.726 1.00 47.96 C ATOM 1660 C ASN A 94 1.439 5.195 22.442 1.00 44.85 C ATOM 1661 O ASN A 94 0.255 4.858 22.278 1.00 42.34 O ATOM 1662 CB ASN A 94 1.113 5.469 24.969 1.00 52.38 C ATOM 1663 CG ASN A 94 1.827 5.899 26.270 1.00 54.97 C ATOM 1664 OD1 ASN A 94 1.990 7.107 26.561 1.00 53.26 O ATOM 1665 ND2 ASN A 94 2.303 4.911 27.025 1.00 55.94 N ATOM 1666 N CYS A 95 2.394 5.087 21.515 1.00 41.25 N ATOM 1667 CA CYS A 95 2.184 4.503 20.188 1.00 36.06 C ATOM 1668 C CYS A 95 2.118 2.977 20.305 1.00 34.84 C ATOM 1669 O CYS A 95 3.017 2.350 20.900 1.00 37.39 O ATOM 1670 CB CYS A 95 3.328 4.903 19.262 1.00 30.34 C ATOM 1671 SG CYS A 95 3.614 6.689 19.208 1.00 29.45 S ATOM 1672 N ALA A 96 1.056 2.392 19.753 1.00 28.17 N ATOM 1673 CA ALA A 96 0.845 0.958 19.807 1.00 25.87 C ATOM 1674 C ALA A 96 0.611 0.416 18.373 1.00 23.77 C ATOM 1675 O ALA A 96 -0.106 1.024 17.583 1.00 18.20 O ATOM 1676 CB ALA A 96 -0.324 0.657 20.775 1.00 24.70 C ATOM 1677 N TYR A 97 1.213 -0.722 18.030 1.00 23.12 N ATOM 1678 CA TYR A 97 1.095 -1.228 16.661 1.00 22.12 C ATOM 1679 C TYR A 97 0.855 -2.697 16.593 1.00 20.79 C ATOM 1680 O TYR A 97 1.327 -3.463 17.420 1.00 26.59 O ATOM 1681 CB TYR A 97 2.415 -0.994 15.880 1.00 19.19 C ATOM 1682 CG TYR A 97 2.873 0.443 15.751 1.00 17.92 C ATOM 1683 CD1 TYR A 97 2.449 1.238 14.676 1.00 13.82 C ATOM 1684 CD2 TYR A 97 3.682 1.027 16.730 1.00 13.94 C ATOM 1685 CE1 TYR A 97 2.806 2.551 14.594 1.00 16.49 C ATOM 1686 CE2 TYR A 97 4.039 2.341 16.656 1.00 11.21 C ATOM 1687 CZ TYR A 97 3.606 3.099 15.599 1.00 13.92 C ATOM 1688 OH TYR A 97 3.949 4.418 15.537 1.00 13.85 O ATOM 1689 N LYS A 98 0.206 -3.102 15.530 1.00 22.89 N ATOM 1690 CA LYS A 98 -0.007 -4.511 15.297 1.00 26.22 C ATOM 1691 C LYS A 98 1.125 -4.853 14.340 1.00 23.25 C ATOM 1692 O LYS A 98 1.425 -4.099 13.400 1.00 21.70 O ATOM 1693 CB LYS A 98 -1.384 -4.757 14.645 1.00 31.99 C ATOM 1694 CG LYS A 98 -1.703 -3.765 13.520 1.00 43.11 C ATOM 1695 CD LYS A 98 -3.204 -3.638 13.207 1.00 51.15 C ATOM 1696 CE LYS A 98 -3.856 -2.382 13.869 1.00 55.04 C ATOM 1697 NZ LYS A 98 -4.913 -2.617 14.969 1.00 60.88 N ATOM 1698 N THR A 99 1.775 -5.968 14.606 1.00 23.45 N ATOM 1699 CA THR A 99 2.879 -6.464 13.801 1.00 21.81 C ATOM 1700 C THR A 99 2.370 -7.555 12.844 1.00 25.44 C ATOM 1701 O THR A 99 1.808 -8.550 13.294 1.00 26.74 O ATOM 1702 CB THR A 99 3.973 -7.069 14.731 1.00 19.67 C ATOM 1703 OG1 THR A 99 4.476 -6.057 15.614 1.00 24.43 O ATOM 1704 CG2 THR A 99 5.096 -7.700 13.956 1.00 17.83 C ATOM 1705 N THR A 100 2.513 -7.360 11.529 1.00 27.78 N ATOM 1706 CA THR A 100 2.121 -8.391 10.559 1.00 27.56 C ATOM 1707 C THR A 100 3.330 -8.778 9.671 1.00 28.94 C ATOM 1708 O THR A 100 3.831 -7.950 8.894 1.00 27.51 O ATOM 1709 CB THR A 100 1.018 -7.919 9.613 1.00 31.00 C ATOM 1710 OG1 THR A 100 -0.043 -7.304 10.359 1.00 33.80 O ATOM 1711 CG2 THR A 100 0.503 -9.112 8.786 1.00 29.30 C ATOM 1712 N GLN A 101 3.768 -10.029 9.796 1.00 26.58 N ATOM 1713 CA GLN A 101 4.863 -10.594 9.035 1.00 25.81 C ATOM 1714 C GLN A 101 4.284 -11.126 7.727 1.00 24.95 C ATOM 1715 O GLN A 101 3.192 -11.712 7.697 1.00 22.69 O ATOM 1716 CB GLN A 101 5.534 -11.707 9.844 1.00 25.89 C ATOM 1717 CG GLN A 101 6.568 -12.581 9.081 1.00 34.22 C ATOM 1718 CD GLN A 101 7.754 -11.825 8.402 1.00 35.10 C ATOM 1719 OE1 GLN A 101 8.279 -12.264 7.360 1.00 35.21 O ATOM 1720 NE2 GLN A 101 8.181 -10.725 9.003 1.00 36.03 N ATOM 1721 N ALA A 102 4.982 -10.879 6.629 1.00 25.21 N ATOM 1722 CA ALA A 102 4.500 -11.351 5.336 1.00 25.23 C ATOM 1723 C ALA A 102 5.653 -11.532 4.337 1.00 25.06 C ATOM 1724 O ALA A 102 6.790 -11.201 4.636 1.00 23.67 O ATOM 1725 CB ALA A 102 3.458 -10.380 4.798 1.00 24.89 C ATOM 1726 N ASN A 103 5.355 -12.159 3.202 1.00 27.02 N ATOM 1727 CA ASN A 103 6.331 -12.376 2.124 1.00 30.03 C ATOM 1728 C ASN A 103 5.705 -11.809 0.858 1.00 23.51 C ATOM 1729 O ASN A 103 4.768 -12.350 0.305 1.00 20.31 O ATOM 1730 CB ASN A 103 6.670 -13.866 1.956 1.00 36.79 C ATOM 1731 CG ASN A 103 7.907 -14.278 2.742 1.00 41.55 C ATOM 1732 OD1 ASN A 103 9.001 -14.411 2.167 1.00 47.11 O ATOM 1733 ND2 ASN A 103 7.754 -14.459 4.068 1.00 44.09 N ATOM 1734 N LYS A 104 6.229 -10.696 0.403 1.00 20.58 N ATOM 1735 CA LYS A 104 5.635 -10.051 -0.738 1.00 18.58 C ATOM 1736 C LYS A 104 6.725 -9.394 -1.529 1.00 15.23 C ATOM 1737 O LYS A 104 7.864 -9.267 -1.056 1.00 17.28 O ATOM 1738 CB LYS A 104 4.743 -8.923 -0.203 1.00 19.27 C ATOM 1739 CG LYS A 104 3.521 -9.369 0.586 1.00 24.21 C ATOM 1740 CD LYS A 104 3.057 -8.249 1.473 1.00 28.32 C ATOM 1741 CE LYS A 104 1.560 -8.267 1.669 1.00 33.56 C ATOM 1742 NZ LYS A 104 1.127 -7.059 2.462 1.00 37.19 N ATOM 1743 N HIS A 105 6.345 -8.899 -2.691 1.00 12.75 N ATOM 1744 CA HIS A 105 7.220 -8.144 -3.565 1.00 13.61 C ATOM 1745 C HIS A 105 7.199 -6.731 -3.016 1.00 15.10 C ATOM 1746 O HIS A 105 6.183 -6.291 -2.485 1.00 14.61 O ATOM 1747 CB HIS A 105 6.652 -8.143 -4.979 1.00 15.65 C ATOM 1748 CG HIS A 105 6.552 -9.512 -5.562 1.00 19.33 C ATOM 1749 ND1 HIS A 105 7.544 -10.064 -6.350 1.00 20.27 N ATOM 1750 CD2 HIS A 105 5.623 -10.475 -5.396 1.00 18.97 C ATOM 1751 CE1 HIS A 105 7.227 -11.309 -6.639 1.00 17.76 C ATOM 1752 NE2 HIS A 105 6.066 -11.582 -6.071 1.00 22.45 N ATOM 1753 N ILE A 106 8.321 -6.025 -3.101 1.00 14.21 N ATOM 1754 CA ILE A 106 8.388 -4.655 -2.601 1.00 12.17 C ATOM 1755 C ILE A 106 8.603 -3.779 -3.785 1.00 11.57 C ATOM 1756 O ILE A 106 9.098 -4.274 -4.801 1.00 13.24 O ATOM 1757 CB ILE A 106 9.535 -4.459 -1.591 1.00 10.51 C ATOM 1758 CG1 ILE A 106 10.883 -4.792 -2.243 1.00 13.26 C ATOM 1759 CG2 ILE A 106 9.352 -5.390 -0.398 1.00 12.76 C ATOM 1760 CD1 ILE A 106 12.086 -4.188 -1.540 1.00 13.44 C ATOM 1761 N ILE A 107 8.110 -2.536 -3.709 1.00 11.29 N ATOM 1762 CA ILE A 107 8.278 -1.517 -4.757 1.00 12.40 C ATOM 1763 C ILE A 107 8.997 -0.331 -4.092 1.00 11.17 C ATOM 1764 O ILE A 107 8.560 0.181 -3.069 1.00 10.76 O ATOM 1765 CB ILE A 107 6.911 -1.028 -5.414 1.00 14.19 C ATOM 1766 CG1 ILE A 107 6.345 -2.069 -6.361 1.00 14.27 C ATOM 1767 CG2 ILE A 107 7.164 0.078 -6.447 1.00 11.72 C ATOM 1768 CD1 ILE A 107 5.503 -3.059 -5.734 1.00 20.29 C ATOM 1769 N VAL A 108 10.102 0.122 -4.662 1.00 12.25 N ATOM 1770 CA VAL A 108 10.857 1.232 -4.060 1.00 11.25 C ATOM 1771 C VAL A 108 11.233 2.227 -5.129 1.00 11.52 C ATOM 1772 O VAL A 108 11.328 1.880 -6.308 1.00 13.74 O ATOM 1773 CB VAL A 108 12.218 0.727 -3.396 1.00 12.52 C ATOM 1774 CG1 VAL A 108 11.959 -0.014 -2.122 1.00 12.51 C ATOM 1775 CG2 VAL A 108 13.000 -0.168 -4.360 1.00 9.09 C ATOM 1776 N ALA A 109 11.445 3.474 -4.734 1.00 13.22 N ATOM 1777 CA ALA A 109 11.886 4.506 -5.677 1.00 13.39 C ATOM 1778 C ALA A 109 13.401 4.542 -5.522 1.00 13.35 C ATOM 1779 O ALA A 109 13.903 4.600 -4.403 1.00 16.62 O ATOM 1780 CB ALA A 109 11.300 5.853 -5.315 1.00 12.07 C ATOM 1781 N CYS A 110 14.124 4.503 -6.627 1.00 11.88 N ATOM 1782 CA CYS A 110 15.583 4.514 -6.599 1.00 14.18 C ATOM 1783 C CYS A 110 16.139 5.804 -7.104 1.00 15.77 C ATOM 1784 O CYS A 110 15.579 6.418 -8.011 1.00 17.12 O ATOM 1785 CB CYS A 110 16.119 3.418 -7.478 1.00 10.30 C ATOM 1786 SG CYS A 110 15.600 1.801 -6.913 1.00 15.00 S ATOM 1787 N GLU A 111 17.241 6.231 -6.513 1.00 20.45 N ATOM 1788 CA GLU A 111 17.879 7.452 -6.964 1.00 20.31 C ATOM 1789 C GLU A 111 19.330 7.604 -6.589 1.00 20.08 C ATOM 1790 O GLU A 111 19.822 7.006 -5.647 1.00 18.21 O ATOM 1791 CB GLU A 111 17.146 8.671 -6.441 1.00 23.45 C ATOM 1792 CG GLU A 111 16.831 9.671 -7.496 1.00 30.83 C ATOM 1793 CD GLU A 111 16.660 11.016 -6.893 1.00 39.06 C ATOM 1794 OE1 GLU A 111 17.697 11.611 -6.521 1.00 44.60 O ATOM 1795 OE2 GLU A 111 15.497 11.458 -6.740 1.00 42.68 O ATOM 1796 N GLY A 112 19.996 8.431 -7.370 1.00 20.69 N ATOM 1797 CA GLY A 112 21.370 8.781 -7.127 1.00 20.60 C ATOM 1798 C GLY A 112 22.451 7.895 -7.625 1.00 18.86 C ATOM 1799 O GLY A 112 22.207 6.986 -8.380 1.00 17.67 O ATOM 1800 N ASN A 113 23.661 8.199 -7.175 1.00 21.39 N ATOM 1801 CA ASN A 113 24.865 7.443 -7.537 1.00 25.11 C ATOM 1802 C ASN A 113 25.710 7.272 -6.287 1.00 22.18 C ATOM 1803 O ASN A 113 26.208 8.265 -5.743 1.00 18.13 O ATOM 1804 CB ASN A 113 25.656 8.217 -8.568 1.00 27.23 C ATOM 1805 CG ASN A 113 26.844 7.460 -9.086 1.00 30.73 C ATOM 1806 OD1 ASN A 113 27.792 8.094 -9.544 1.00 34.30 O ATOM 1807 ND2 ASN A 113 26.780 6.118 -9.112 1.00 29.41 N ATOM 1808 N PRO A 114 25.784 6.029 -5.751 1.00 20.36 N ATOM 1809 CA PRO A 114 25.127 4.816 -6.259 1.00 18.87 C ATOM 1810 C PRO A 114 23.573 4.848 -6.329 1.00 12.00 C ATOM 1811 O PRO A 114 22.937 5.479 -5.505 1.00 10.73 O ATOM 1812 CB PRO A 114 25.666 3.726 -5.314 1.00 16.42 C ATOM 1813 CG PRO A 114 25.934 4.422 -4.096 1.00 17.14 C ATOM 1814 CD PRO A 114 26.513 5.733 -4.506 1.00 17.19 C ATOM 1815 N TYR A 115 23.010 4.205 -7.345 1.00 11.46 N ATOM 1816 CA TYR A 115 21.552 4.132 -7.587 1.00 15.96 C ATOM 1817 C TYR A 115 20.886 3.182 -6.573 1.00 16.83 C ATOM 1818 O TYR A 115 20.795 1.976 -6.817 1.00 19.35 O ATOM 1819 CB TYR A 115 21.294 3.600 -8.994 1.00 13.45 C ATOM 1820 CG TYR A 115 19.931 3.935 -9.587 1.00 12.63 C ATOM 1821 CD1 TYR A 115 19.495 5.251 -9.717 1.00 10.93 C ATOM 1822 CD2 TYR A 115 19.098 2.916 -10.067 1.00 13.71 C ATOM 1823 CE1 TYR A 115 18.253 5.536 -10.324 1.00 9.21 C ATOM 1824 CE2 TYR A 115 17.876 3.188 -10.671 1.00 10.95 C ATOM 1825 CZ TYR A 115 17.463 4.497 -10.808 1.00 11.08 C ATOM 1826 OH TYR A 115 16.314 4.739 -11.547 1.00 10.88 O ATOM 1827 N VAL A 116 20.356 3.729 -5.484 1.00 15.37 N ATOM 1828 CA VAL A 116 19.813 2.897 -4.434 1.00 13.93 C ATOM 1829 C VAL A 116 18.415 3.316 -4.034 1.00 15.53 C ATOM 1830 O VAL A 116 17.929 4.375 -4.445 1.00 15.11 O ATOM 1831 CB VAL A 116 20.666 3.023 -3.188 1.00 13.25 C ATOM 1832 CG1 VAL A 116 22.062 2.595 -3.448 1.00 15.32 C ATOM 1833 CG2 VAL A 116 20.638 4.463 -2.693 1.00 19.69 C ATOM 1834 N PRO A 117 17.760 2.494 -3.194 1.00 14.65 N ATOM 1835 CA PRO A 117 16.410 2.801 -2.731 1.00 13.56 C ATOM 1836 C PRO A 117 16.364 4.096 -1.911 1.00 13.71 C ATOM 1837 O PRO A 117 17.210 4.338 -1.051 1.00 16.69 O ATOM 1838 CB PRO A 117 16.063 1.575 -1.884 1.00 15.13 C ATOM 1839 CG PRO A 117 16.904 0.446 -2.518 1.00 9.56 C ATOM 1840 CD PRO A 117 18.182 1.132 -2.774 1.00 10.81 C ATOM 1841 N VAL A 118 15.426 4.974 -2.218 1.00 13.40 N ATOM 1842 CA VAL A 118 15.328 6.189 -1.446 1.00 13.56 C ATOM 1843 C VAL A 118 13.915 6.334 -0.962 1.00 18.19 C ATOM 1844 O VAL A 118 13.651 7.241 -0.211 1.00 20.61 O ATOM 1845 CB VAL A 118 15.690 7.471 -2.227 1.00 10.84 C ATOM 1846 CG1 VAL A 118 17.209 7.509 -2.537 1.00 8.91 C ATOM 1847 CG2 VAL A 118 14.888 7.538 -3.468 1.00 13.06 C ATOM 1848 N HIS A 119 12.997 5.474 -1.412 1.00 18.35 N ATOM 1849 CA HIS A 119 11.614 5.586 -0.969 1.00 18.36 C ATOM 1850 C HIS A 119 10.922 4.248 -1.054 1.00 13.13 C ATOM 1851 O HIS A 119 11.109 3.481 -1.994 1.00 15.09 O ATOM 1852 CB HIS A 119 10.855 6.688 -1.780 1.00 26.62 C ATOM 1853 CG HIS A 119 9.359 6.694 -1.576 1.00 36.36 C ATOM 1854 ND1 HIS A 119 8.467 6.234 -2.531 1.00 39.82 N ATOM 1855 CD2 HIS A 119 8.592 7.077 -0.512 1.00 38.81 C ATOM 1856 CE1 HIS A 119 7.230 6.319 -2.065 1.00 40.57 C ATOM 1857 NE2 HIS A 119 7.279 6.827 -0.840 1.00 39.04 N ATOM 1858 N PHE A 120 10.217 3.903 0.001 1.00 12.71 N ATOM 1859 CA PHE A 120 9.468 2.650 -0.015 1.00 15.05 C ATOM 1860 C PHE A 120 8.047 2.985 -0.578 1.00 10.79 C ATOM 1861 O PHE A 120 7.337 3.789 -0.035 1.00 13.18 O ATOM 1862 CB PHE A 120 9.419 2.031 1.392 1.00 10.67 C ATOM 1863 CG PHE A 120 8.885 0.620 1.403 1.00 15.26 C ATOM 1864 CD1 PHE A 120 7.509 0.377 1.309 1.00 15.01 C ATOM 1865 CD2 PHE A 120 9.749 -0.459 1.452 1.00 16.82 C ATOM 1866 CE1 PHE A 120 7.002 -0.911 1.256 1.00 17.32 C ATOM 1867 CE2 PHE A 120 9.253 -1.762 1.399 1.00 18.52 C ATOM 1868 CZ PHE A 120 7.869 -1.986 1.300 1.00 16.49 C ATOM 1869 N ASP A 121 7.697 2.437 -1.721 1.00 11.03 N ATOM 1870 CA ASP A 121 6.430 2.734 -2.338 1.00 9.32 C ATOM 1871 C ASP A 121 5.264 1.809 -1.924 1.00 15.95 C ATOM 1872 O ASP A 121 4.192 2.299 -1.588 1.00 13.16 O ATOM 1873 CB ASP A 121 6.608 2.733 -3.850 1.00 8.41 C ATOM 1874 CG ASP A 121 5.595 3.595 -4.550 1.00 15.60 C ATOM 1875 OD1 ASP A 121 5.698 4.838 -4.551 1.00 20.14 O ATOM 1876 OD2 ASP A 121 4.668 3.039 -5.097 1.00 14.89 O ATOM 1877 N ALA A 122 5.468 0.492 -1.902 1.00 14.97 N ATOM 1878 CA ALA A 122 4.392 -0.430 -1.571 1.00 12.40 C ATOM 1879 C ALA A 122 4.839 -1.862 -1.680 1.00 17.09 C ATOM 1880 O ALA A 122 5.823 -2.145 -2.331 1.00 21.50 O ATOM 1881 CB ALA A 122 3.257 -0.227 -2.552 1.00 12.18 C ATOM 1882 N SER A 123 4.183 -2.774 -0.983 1.00 18.74 N ATOM 1883 CA SER A 123 4.530 -4.176 -1.156 1.00 22.97 C ATOM 1884 C SER A 123 3.320 -4.761 -1.898 1.00 23.64 C ATOM 1885 O SER A 123 2.256 -4.185 -1.858 1.00 26.87 O ATOM 1886 CB SER A 123 4.814 -4.874 0.165 1.00 22.01 C ATOM 1887 OG SER A 123 3.738 -4.703 1.044 1.00 29.17 O ATOM 1888 N VAL A 124 3.499 -5.840 -2.639 1.00 24.33 N ATOM 1889 CA VAL A 124 2.422 -6.423 -3.411 1.00 26.73 C ATOM 1890 C VAL A 124 2.551 -7.906 -3.217 1.00 27.70 C ATOM 1891 O VAL A 124 3.675 -8.408 -3.376 1.00 26.31 O ATOM 1892 CB VAL A 124 2.591 -6.134 -4.933 1.00 27.37 C ATOM 1893 CG1 VAL A 124 1.281 -6.375 -5.668 1.00 28.02 C ATOM 1894 CG2 VAL A 124 3.029 -4.717 -5.145 1.00 28.59 C ATOM 1895 OXT VAL A 124 1.532 -8.536 -2.914 1.00 29.77 O TER 1896 VAL B 124 HETATM 1897 O HOH A 212 19.325 0.635 9.414 1.00 17.01 O HETATM 1898 O HOH A 216 18.212 -0.624 19.500 1.00 32.43 O HETATM 1899 O HOH A 231 28.062 -8.655 22.756 1.00 23.76 O HETATM 1900 O HOH A 235 24.220 -6.266 32.502 1.00 26.44 O HETATM 1901 O HOH A 237 39.929 -6.496 38.125 1.00 35.93 O HETATM 1902 O HOH A 240 17.237 -0.430 26.792 1.00 25.05 O HETATM 1903 O HOH A 241 18.806 -7.430 18.562 1.00 54.45 O HETATM 1904 O HOH A 242 22.977 -1.049 8.451 1.00 36.47 O HETATM 1905 O HOH A 243 32.632 7.351 11.224 1.00 21.48 O HETATM 1906 O HOH A 244 34.155 7.864 15.286 1.00 28.20 O HETATM 1907 O HOH A 245 33.936 5.295 14.561 1.00 31.00 O HETATM 1908 O HOH A 249 18.491 3.216 18.269 1.00 30.22 O HETATM 1909 O HOH A 250 40.554 11.503 34.787 1.00 47.51 O HETATM 1910 O HOH A 276 41.461 1.471 27.275 1.00 45.53 O HETATM 1911 O HOH A 279 34.920 10.055 33.114 1.00 38.27 O HETATM 1912 O HOH A 280 34.632 -7.891 10.378 1.00 15.63 O HETATM 1913 O HOH A 283 38.171 0.742 15.243 1.00 15.75 O HETATM 1914 O HOH A 287 52.440 0.778 39.127 1.00 24.58 O HETATM 1915 O HOH A 288 25.904 -12.550 10.121 1.00 27.53 O HETATM 1916 O HOH A 291 36.790 -1.932 15.225 1.00 32.59 O HETATM 1917 O HOH A 292 25.710 -10.855 22.286 1.00 22.58 O HETATM 1918 O HOH A 294 34.340 -5.318 24.194 1.00 39.70 O HETATM 1919 O HOH A 295 28.686 -14.614 17.049 1.00 49.76 O HETATM 1920 O HOH A 298 29.949 -12.174 29.679 1.00 37.68 O HETATM 1921 O HOH A 299 36.647 -2.476 23.572 1.00 41.86 O HETATM 1922 O HOH A 300 35.664 -8.887 22.329 1.00 45.62 O HETATM 1923 O HOH A 301 34.880 5.595 39.839 1.00 41.75 O HETATM 1924 O HOH A 303 13.729 -0.146 21.752 1.00 43.59 O HETATM 1925 O HOH A 306 35.437 1.920 25.662 1.00 21.70 O HETATM 1926 O HOH A 307 31.569 -7.708 9.931 1.00 32.73 O HETATM 1927 O HOH A 310 39.487 0.030 40.058 1.00 38.85 O HETATM 1928 O HOH A 311 35.205 4.873 24.649 1.00 43.34 O HETATM 1929 O HOH B 201 18.953 3.016 0.468 1.00 11.78 O HETATM 1930 O HOH B 202 20.417 7.729 9.388 1.00 23.30 O HETATM 1931 O HOH B 203 20.606 5.374 8.335 1.00 28.85 O HETATM 1932 O HOH B 206 18.926 -11.049 1.831 1.00 26.77 O HETATM 1933 O HOH B 207 22.001 -9.560 -4.534 1.00 36.09 O HETATM 1934 O HOH B 208 17.154 -8.741 -5.320 1.00 22.21 O HETATM 1935 O HOH B 209 11.854 -3.279 -16.554 1.00 37.02 O HETATM 1936 O HOH B 210 20.313 9.607 -1.144 1.00 36.09 O HETATM 1937 O HOH B 211 21.440 2.071 0.810 1.00 25.49 O HETATM 1938 O HOH B 215 3.975 -4.395 17.998 1.00 22.67 O HETATM 1939 O HOH B 217 16.825 -1.569 14.783 1.00 22.90 O HETATM 1940 O HOH B 219 13.808 -9.825 -6.109 1.00 19.60 O HETATM 1941 O HOH B 221 0.184 -4.748 10.843 1.00 14.20 O HETATM 1942 O HOH B 226 19.326 -8.449 -9.040 1.00 30.44 O HETATM 1943 O HOH B 252 20.459 7.826 -3.371 1.00 26.19 O HETATM 1944 O HOH B 253 23.119 7.161 -3.304 1.00 27.00 O HETATM 1945 O HOH B 256 23.952 4.232 -0.116 1.00 36.13 O HETATM 1946 O HOH B 258 19.337 -3.624 9.224 1.00 26.09 O HETATM 1947 O HOH B 260 25.221 -5.858 1.466 1.00 36.65 O HETATM 1948 O HOH B 261 18.057 0.413 -13.318 1.00 30.49 O HETATM 1949 O HOH B 262 12.056 -6.374 -15.982 1.00 37.97 O HETATM 1950 O HOH B 264 8.275 -12.078 -10.203 1.00 24.43 O HETATM 1951 O HOH B 265 9.590 -15.383 -5.336 1.00 37.66 O HETATM 1952 O HOH B 266 -0.713 -1.921 5.990 1.00 33.39 O HETATM 1953 O HOH B 284 12.223 6.139 3.421 1.00 17.19 O HETATM 1954 O HOH B 285 6.184 1.794 4.886 1.00 17.81 O HETATM 1955 O HOH B 286 3.294 -11.726 -3.178 1.00 28.76 O HETATM 1956 O HOH B 289 8.359 8.273 -4.563 1.00 35.34 O HETATM 1957 O HOH B 290 12.537 9.542 -5.900 1.00 22.08 O HETATM 1958 O HOH B 293 5.450 7.359 -5.057 1.00 29.44 O HETATM 1959 O HOH B 296 9.625 6.193 2.327 1.00 38.84 O HETATM 1960 O HOH B 297 10.787 7.183 18.510 1.00 33.67 O HETATM 1961 O HOH B 302 22.865 -11.622 0.680 1.00 48.93 O HETATM 1962 O HOH B 304 -6.389 7.542 19.084 1.00 38.64 O HETATM 1963 O HOH B 305 1.216 -7.278 17.159 1.00 37.79 O HETATM 1964 O HOH B 308 15.242 -11.496 -4.622 1.00 42.01 O HETATM 1965 O HOH B 309 14.035 8.190 2.371 1.00 31.21 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 300 0 0 8 16 0 0 6 1963 2 16 20 END