HEADER TRANSPORT PROTEIN 20-APR-99 1QG5 TITLE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA- TITLE 2 LACTOGLOBULIN (ISOFORM A) COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 VARIANT: VARIANT A; SOURCE 6 ORGAN: BREAST; SOURCE 7 TISSUE: MAMMARY GLAND; SOURCE 8 SECRETION: BREAST; SOURCE 9 OTHER_DETAILS: ISOFORM A DIFFERS IN A PRIMARY AMINO ACID SOURCE 10 SEQUENCE FROM ISOFORM B AT POSITIONS 64(ASP-->GLY) AND 118 SOURCE 11 (VAL-->ALA) KEYWDS LIPOCALIN, ISOFORM A, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR K.M.G.OLIVEIRA,L.SAWYER,I.POLIKARPOV REVDAT 3 24-FEB-09 1QG5 1 VERSN REVDAT 2 01-APR-03 1QG5 1 JRNL REVDAT 1 21-APR-01 1QG5 0 JRNL AUTH K.M.OLIVEIRA,V.L.VALENTE-MESQUITA,M.M.BOTELHO, JRNL AUTH 2 L.SAWYER,S.T.FERREIRA,I.POLIKARPOV JRNL TITL CRYSTAL STRUCTURES OF BOVINE BETA-LACTOGLOBULIN IN JRNL TITL 2 THE ORTHORHOMBIC SPACE GROUP C222(1). STRUCTURAL JRNL TITL 3 DIFFERENCES BETWEEN GENETIC VARIANTS A AND B AND JRNL TITL 4 FEATURES OF THE TANFORD TRANSITION. JRNL REF EUR.J.BIOCHEM. V. 268 477 2001 JRNL REFN ISSN 0014-2956 JRNL PMID 11168385 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 3 NUMBER OF REFLECTIONS : 9573 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 + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.192 REMARK 3 FREE R VALUE : 0.287 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 461 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1201 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 113 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 28.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.90 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 OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.210 REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.070 ; NULL REMARK 3 ANGLE DISTANCE (A) : 4.560 ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL 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 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QG5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-APR-99. REMARK 100 THE RCSB ID CODE IS RCSB000890. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-SEP-97 REMARK 200 TEMPERATURE (KELVIN) : 291 REMARK 200 PH : 7.9 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : LNLS REMARK 200 BEAMLINE : D03B-MX1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.3800 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9631 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 12.920 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.9 REMARK 200 DATA REDUNDANCY : 2.800 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06600 REMARK 200 FOR THE DATA SET : 12.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.05 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.46300 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: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: DATA WERE COLLECTED USING OSCILLATION METHOD REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: THE CRYSTAL WAS GROWN AT PH 7.9, REMARK 280 HANGING DROP METHOD. DROP CONTAINED 2.5M (NH4) 2SO4, 180MM REMARK 280 TRIZMA BUFFER, AND 20MG/ML PROTEIN REMARK 290, VAPOR REMARK 280 DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.38000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.38000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 27.73500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.05500 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 27.73500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.05500 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 33.38000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 27.73500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.05500 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 33.38000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 27.73500 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.05500 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC 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 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 33.38000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 275 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO A 113 REMARK 465 GLU A 114 REMARK 465 GLN A 155 REMARK 465 LEU A 156 REMARK 465 GLU A 157 REMARK 465 GLU A 158 REMARK 465 GLN A 159 REMARK 465 CYS A 160 REMARK 465 HIS A 161 REMARK 465 ILE A 162 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 175 O HOH A 264 2.16 REMARK 500 OD1 ASP A 137 NH2 ARG A 148 2.19 REMARK 500 REMARK 500 REMARK: NULL 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 ASP A 53 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP A 137 CB - CG - OD1 ANGL. DEV. = -7.5 DEGREES REMARK 500 ARG A 148 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 ASN A 152 N - CA - C ANGL. DEV. = -24.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 33 -75.86 -53.06 REMARK 500 ALA A 37 141.43 -38.56 REMARK 500 ALA A 80 -5.52 77.68 REMARK 500 ASP A 85 54.49 -92.59 REMARK 500 TYR A 99 -31.48 62.28 REMARK 500 LYS A 101 -53.92 -130.92 REMARK 500 ALA A 111 -35.02 -167.93 REMARK 500 PRO A 153 158.65 -41.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ASN A 152 13.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 213 DISTANCE = 5.56 ANGSTROMS DBREF 1QG5 A 1 162 UNP P02754 LACB_BOVIN 17 178 SEQRES 1 A 162 LEU ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN SEQRES 2 A 162 LYS VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SEQRES 3 A 162 SER ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU SEQRES 4 A 162 ARG VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY SEQRES 5 A 162 ASP LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN ASP GLU SEQRES 6 A 162 CYS ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE SEQRES 7 A 162 PRO ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS SEQRES 8 A 162 VAL LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU SEQRES 9 A 162 PHE CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU SEQRES 10 A 162 VAL CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP SEQRES 11 A 162 GLU ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU SEQRES 12 A 162 PRO MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU SEQRES 13 A 162 GLU GLU GLN CYS HIS ILE FORMUL 2 HOH *113(H2 O) HELIX 1 1 ILE A 2 THR A 6 5 5 HELIX 2 2 ASP A 11 ALA A 16 5 6 HELIX 3 3 ASP A 28 ASP A 33 5 6 HELIX 4 4 ASP A 130 LYS A 141 1 12 SHEET 1 A10 GLY A 17 THR A 18 0 SHEET 2 A10 TYR A 42 PRO A 48 -1 O LEU A 46 N GLY A 17 SHEET 3 A10 LEU A 54 GLU A 62 -1 O GLU A 55 N LYS A 47 SHEET 4 A10 GLU A 65 LYS A 75 -1 O GLU A 65 N GLU A 62 SHEET 5 A10 VAL A 81 ILE A 84 -1 O LYS A 83 N GLU A 74 SHEET 6 A10 ASN A 90 THR A 97 -1 O ASN A 90 N ILE A 84 SHEET 7 A10 TYR A 102 ASN A 109 -1 N LEU A 104 O ASP A 96 SHEET 8 A10 LEU A 117 VAL A 123 -1 O VAL A 118 N MET A 107 SHEET 9 A10 TYR A 20 ALA A 26 -1 N TYR A 20 O VAL A 123 SHEET 10 A10 ILE A 147 SER A 150 -1 O ILE A 147 N ALA A 26 SSBOND 1 CYS A 106 CYS A 119 1555 1555 2.02 CRYST1 55.470 82.110 66.760 90.00 90.00 90.00 C 2 2 21 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 0.018028 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012179 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014979 0.00000 ATOM 1 N LEU A 1 21.201 22.530 -2.599 1.00 48.98 N ATOM 2 CA LEU A 1 20.877 21.136 -2.227 1.00 50.05 C ATOM 3 C LEU A 1 20.180 20.468 -3.431 1.00 50.27 C ATOM 4 O LEU A 1 19.876 21.152 -4.414 1.00 49.65 O ATOM 5 CB LEU A 1 19.960 20.905 -1.035 1.00 50.27 C ATOM 6 CG LEU A 1 19.669 21.916 0.051 1.00 50.13 C ATOM 7 CD1 LEU A 1 19.093 21.237 1.286 1.00 50.00 C ATOM 8 CD2 LEU A 1 20.882 22.750 0.424 1.00 49.99 C ATOM 9 N ILE A 2 19.951 19.173 -3.257 1.00 49.72 N ATOM 10 CA ILE A 2 19.274 18.417 -4.302 1.00 50.93 C ATOM 11 C ILE A 2 17.839 18.108 -3.910 1.00 50.92 C ATOM 12 O ILE A 2 17.464 17.993 -2.739 1.00 49.42 O ATOM 13 CB ILE A 2 20.038 17.123 -4.651 1.00 51.75 C ATOM 14 CG1 ILE A 2 20.344 16.310 -3.392 1.00 52.07 C ATOM 15 CG2 ILE A 2 21.318 17.472 -5.397 1.00 52.43 C ATOM 16 CD1 ILE A 2 20.317 14.811 -3.612 1.00 53.57 C ATOM 17 N VAL A 3 17.009 17.848 -4.924 1.00 50.97 N ATOM 18 CA VAL A 3 15.593 17.577 -4.749 1.00 51.98 C ATOM 19 C VAL A 3 15.314 16.432 -3.796 1.00 51.34 C ATOM 20 O VAL A 3 14.301 16.417 -3.097 1.00 52.05 O ATOM 21 CB VAL A 3 14.880 17.286 -6.089 1.00 52.00 C ATOM 22 CG1 VAL A 3 15.131 18.439 -7.040 1.00 53.11 C ATOM 23 CG2 VAL A 3 15.351 15.969 -6.664 1.00 52.78 C ATOM 24 N THR A 4 16.220 15.468 -3.773 1.00 50.79 N ATOM 25 CA THR A 4 16.098 14.325 -2.889 1.00 50.40 C ATOM 26 C THR A 4 16.410 14.681 -1.443 1.00 48.44 C ATOM 27 O THR A 4 16.263 13.756 -0.631 1.00 49.65 O ATOM 28 CB THR A 4 16.949 13.135 -3.379 1.00 51.76 C ATOM 29 OG1 THR A 4 18.202 13.061 -2.683 1.00 53.11 O ATOM 30 CG2 THR A 4 17.291 13.241 -4.861 1.00 52.09 C ATOM 31 N GLN A 5 16.769 15.892 -1.029 1.00 46.24 N ATOM 32 CA GLN A 5 17.023 16.148 0.395 1.00 44.41 C ATOM 33 C GLN A 5 15.868 16.918 1.009 1.00 43.78 C ATOM 34 O GLN A 5 15.855 17.255 2.197 1.00 45.83 O ATOM 35 CB GLN A 5 18.352 16.867 0.623 1.00 45.34 C ATOM 36 CG GLN A 5 19.572 16.066 0.168 1.00 46.18 C ATOM 37 CD GLN A 5 20.815 16.900 -0.078 1.00 46.06 C ATOM 38 OE1 GLN A 5 20.754 17.948 -0.733 1.00 46.69 O ATOM 39 NE2 GLN A 5 21.961 16.448 0.423 1.00 44.39 N ATOM 40 N THR A 6 14.867 17.219 0.178 1.00 40.39 N ATOM 41 CA THR A 6 13.704 17.944 0.666 1.00 38.47 C ATOM 42 C THR A 6 12.569 16.979 0.951 1.00 37.73 C ATOM 43 O THR A 6 12.617 15.799 0.581 1.00 35.21 O ATOM 44 CB THR A 6 13.225 19.022 -0.325 1.00 39.11 C ATOM 45 OG1 THR A 6 12.794 18.394 -1.530 1.00 39.47 O ATOM 46 CG2 THR A 6 14.384 19.971 -0.634 1.00 39.25 C ATOM 47 N MET A 7 11.533 17.500 1.608 1.00 36.08 N ATOM 48 CA MET A 7 10.450 16.580 1.919 1.00 38.51 C ATOM 49 C MET A 7 9.609 16.200 0.709 1.00 40.38 C ATOM 50 O MET A 7 9.169 16.994 -0.116 1.00 40.21 O ATOM 51 CB MET A 7 9.569 17.218 2.990 1.00 38.48 C ATOM 52 CG MET A 7 9.043 16.133 3.938 1.00 37.71 C ATOM 53 SD MET A 7 7.785 16.864 4.978 1.00 38.75 S ATOM 54 CE MET A 7 6.989 15.380 5.601 1.00 38.26 C ATOM 55 N LYS A 8 9.284 14.921 0.664 1.00 42.35 N ATOM 56 CA LYS A 8 8.343 14.360 -0.304 1.00 44.22 C ATOM 57 C LYS A 8 6.958 14.345 0.349 1.00 42.08 C ATOM 58 O LYS A 8 6.815 14.043 1.538 1.00 42.73 O ATOM 59 CB LYS A 8 8.756 12.941 -0.699 1.00 47.55 C ATOM 60 CG LYS A 8 7.859 12.238 -1.695 1.00 51.39 C ATOM 61 CD LYS A 8 7.006 11.142 -1.105 1.00 54.48 C ATOM 62 CE LYS A 8 5.542 11.498 -0.952 1.00 56.32 C ATOM 63 NZ LYS A 8 5.148 11.747 0.464 1.00 57.86 N ATOM 64 N GLY A 9 5.921 14.671 -0.408 1.00 40.92 N ATOM 65 CA GLY A 9 4.554 14.639 0.068 1.00 39.83 C ATOM 66 C GLY A 9 4.176 15.650 1.127 1.00 39.54 C ATOM 67 O GLY A 9 3.273 15.426 1.949 1.00 40.65 O ATOM 68 N LEU A 10 4.845 16.810 1.137 1.00 37.65 N ATOM 69 CA LEU A 10 4.489 17.821 2.125 1.00 34.95 C ATOM 70 C LEU A 10 3.077 18.346 1.911 1.00 32.79 C ATOM 71 O LEU A 10 2.691 18.679 0.808 1.00 34.09 O ATOM 72 CB LEU A 10 5.497 18.970 2.008 1.00 32.82 C ATOM 73 CG LEU A 10 5.176 20.239 2.780 1.00 31.51 C ATOM 74 CD1 LEU A 10 5.245 20.012 4.272 1.00 30.03 C ATOM 75 CD2 LEU A 10 6.145 21.347 2.333 1.00 31.78 C ATOM 76 N ASP A 11 2.304 18.514 2.976 1.00 32.64 N ATOM 77 CA ASP A 11 1.000 19.154 2.924 1.00 31.52 C ATOM 78 C ASP A 11 1.194 20.511 3.639 1.00 30.08 C ATOM 79 O ASP A 11 1.081 20.628 4.867 1.00 27.25 O ATOM 80 CB ASP A 11 -0.130 18.409 3.610 1.00 33.48 C ATOM 81 CG ASP A 11 -1.450 19.139 3.378 1.00 36.86 C ATOM 82 OD1 ASP A 11 -1.464 20.263 2.808 1.00 35.66 O ATOM 83 OD2 ASP A 11 -2.474 18.533 3.771 1.00 36.79 O ATOM 84 N ILE A 12 1.368 21.560 2.853 1.00 28.46 N ATOM 85 CA ILE A 12 1.687 22.867 3.451 1.00 31.42 C ATOM 86 C ILE A 12 0.621 23.402 4.369 1.00 31.32 C ATOM 87 O ILE A 12 0.926 24.092 5.359 1.00 30.14 O ATOM 88 CB ILE A 12 2.110 23.811 2.309 1.00 33.68 C ATOM 89 CG1 ILE A 12 3.059 24.892 2.796 1.00 36.02 C ATOM 90 CG2 ILE A 12 0.870 24.305 1.564 1.00 34.31 C ATOM 91 CD1 ILE A 12 2.524 25.899 3.789 1.00 39.03 C ATOM 92 N GLN A 13 -0.654 23.052 4.175 1.00 30.80 N ATOM 93 CA GLN A 13 -1.730 23.500 5.044 1.00 29.27 C ATOM 94 C GLN A 13 -1.597 23.004 6.474 1.00 28.93 C ATOM 95 O GLN A 13 -2.041 23.696 7.398 1.00 28.18 O ATOM 96 CB GLN A 13 -3.097 23.065 4.473 1.00 30.90 C ATOM 97 CG GLN A 13 -3.368 23.584 3.066 1.00 30.56 C ATOM 98 CD GLN A 13 -3.328 25.081 2.874 1.00 32.12 C ATOM 99 OE1 GLN A 13 -2.953 25.645 1.821 1.00 32.50 O ATOM 100 NE2 GLN A 13 -3.720 25.800 3.917 1.00 31.87 N ATOM 101 N LYS A 14 -0.952 21.858 6.708 1.00 27.88 N ATOM 102 CA LYS A 14 -0.807 21.323 8.045 1.00 27.04 C ATOM 103 C LYS A 14 0.333 21.948 8.838 1.00 26.34 C ATOM 104 O LYS A 14 0.364 21.658 10.029 1.00 22.77 O ATOM 105 CB LYS A 14 -0.594 19.801 7.936 1.00 31.94 C ATOM 106 CG LYS A 14 -1.859 19.015 7.543 1.00 34.21 C ATOM 107 CD LYS A 14 -1.490 17.545 7.341 1.00 37.82 C ATOM 108 CE LYS A 14 -2.704 16.630 7.436 1.00 41.23 C ATOM 109 NZ LYS A 14 -3.783 17.065 6.493 1.00 43.54 N ATOM 110 N VAL A 15 1.213 22.769 8.250 1.00 23.96 N ATOM 111 CA VAL A 15 2.256 23.425 9.037 1.00 24.30 C ATOM 112 C VAL A 15 1.762 24.750 9.626 1.00 23.80 C ATOM 113 O VAL A 15 2.462 25.476 10.349 1.00 22.62 O ATOM 114 CB VAL A 15 3.571 23.694 8.271 1.00 26.20 C ATOM 115 CG1 VAL A 15 4.107 22.424 7.627 1.00 25.96 C ATOM 116 CG2 VAL A 15 3.404 24.750 7.189 1.00 26.76 C ATOM 117 N ALA A 16 0.519 25.118 9.332 1.00 24.40 N ATOM 118 CA ALA A 16 -0.018 26.363 9.827 1.00 24.69 C ATOM 119 C ALA A 16 0.111 26.493 11.350 1.00 24.36 C ATOM 120 O ALA A 16 -0.049 25.533 12.108 1.00 24.21 O ATOM 121 CB ALA A 16 -1.495 26.571 9.519 1.00 24.96 C ATOM 122 N GLY A 17 0.324 27.750 11.747 1.00 23.19 N ATOM 123 CA GLY A 17 0.301 27.961 13.195 1.00 24.09 C ATOM 124 C GLY A 17 1.621 28.419 13.787 1.00 24.73 C ATOM 125 O GLY A 17 2.540 28.826 13.077 1.00 22.53 O ATOM 126 N THR A 18 1.641 28.232 15.116 1.00 22.60 N ATOM 127 CA THR A 18 2.721 28.753 15.919 1.00 24.92 C ATOM 128 C THR A 18 3.902 27.809 15.930 1.00 23.53 C ATOM 129 O THR A 18 3.652 26.599 15.973 1.00 21.24 O ATOM 130 CB THR A 18 2.272 28.954 17.395 1.00 27.49 C ATOM 131 OG1 THR A 18 1.166 29.838 17.465 1.00 27.63 O ATOM 132 CG2 THR A 18 3.424 29.519 18.226 1.00 29.15 C ATOM 133 N TRP A 19 5.106 28.387 15.866 1.00 22.52 N ATOM 134 CA TRP A 19 6.335 27.591 15.949 1.00 22.52 C ATOM 135 C TRP A 19 7.381 28.371 16.734 1.00 23.35 C ATOM 136 O TRP A 19 7.289 29.601 16.821 1.00 24.42 O ATOM 137 CB TRP A 19 6.917 27.272 14.576 1.00 21.68 C ATOM 138 CG TRP A 19 6.108 26.390 13.683 1.00 21.94 C ATOM 139 CD1 TRP A 19 5.186 26.777 12.755 1.00 21.21 C ATOM 140 CD2 TRP A 19 6.163 24.955 13.610 1.00 21.50 C ATOM 141 NE1 TRP A 19 4.641 25.690 12.145 1.00 19.71 N ATOM 142 CE2 TRP A 19 5.235 24.551 12.645 1.00 21.72 C ATOM 143 CE3 TRP A 19 6.904 23.994 14.306 1.00 21.17 C ATOM 144 CZ2 TRP A 19 5.003 23.208 12.308 1.00 20.08 C ATOM 145 CZ3 TRP A 19 6.682 22.672 13.979 1.00 20.95 C ATOM 146 CH2 TRP A 19 5.742 22.295 13.010 1.00 22.25 C ATOM 147 N TYR A 20 8.359 27.697 17.323 1.00 25.37 N ATOM 148 CA TYR A 20 9.480 28.318 18.016 1.00 27.26 C ATOM 149 C TYR A 20 10.802 27.839 17.397 1.00 27.50 C ATOM 150 O TYR A 20 10.959 26.642 17.158 1.00 26.16 O ATOM 151 CB TYR A 20 9.507 27.939 19.500 1.00 31.75 C ATOM 152 CG TYR A 20 8.290 28.407 20.252 1.00 36.20 C ATOM 153 CD1 TYR A 20 7.131 27.644 20.277 1.00 38.34 C ATOM 154 CD2 TYR A 20 8.293 29.639 20.907 1.00 39.04 C ATOM 155 CE1 TYR A 20 5.997 28.091 20.938 1.00 40.78 C ATOM 156 CE2 TYR A 20 7.163 30.088 21.581 1.00 41.06 C ATOM 157 CZ TYR A 20 6.029 29.312 21.586 1.00 41.42 C ATOM 158 OH TYR A 20 4.900 29.721 22.265 1.00 44.82 O ATOM 159 N SER A 21 11.761 28.723 17.180 1.00 26.03 N ATOM 160 CA SER A 21 13.034 28.370 16.582 1.00 25.80 C ATOM 161 C SER A 21 13.899 27.829 17.722 1.00 25.94 C ATOM 162 O SER A 21 14.290 28.628 18.589 1.00 25.84 O ATOM 163 CB SER A 21 13.718 29.575 15.948 1.00 27.24 C ATOM 164 OG SER A 21 13.019 30.052 14.798 1.00 28.84 O ATOM 165 N LEU A 22 14.182 26.547 17.727 1.00 21.90 N ATOM 166 CA LEU A 22 14.975 25.981 18.815 1.00 23.44 C ATOM 167 C LEU A 22 16.479 25.886 18.582 1.00 22.57 C ATOM 168 O LEU A 22 17.299 25.876 19.512 1.00 23.70 O ATOM 169 CB LEU A 22 14.434 24.553 19.006 1.00 25.98 C ATOM 170 CG LEU A 22 14.968 23.743 20.170 1.00 29.95 C ATOM 171 CD1 LEU A 22 14.662 24.439 21.492 1.00 31.01 C ATOM 172 CD2 LEU A 22 14.322 22.358 20.101 1.00 30.67 C ATOM 173 N ALA A 23 16.854 25.715 17.332 1.00 22.57 N ATOM 174 CA ALA A 23 18.278 25.552 17.015 1.00 21.07 C ATOM 175 C ALA A 23 18.471 26.104 15.620 1.00 21.33 C ATOM 176 O ALA A 23 17.528 26.082 14.839 1.00 21.19 O ATOM 177 CB ALA A 23 18.737 24.108 17.060 1.00 21.52 C ATOM 178 N MET A 24 19.691 26.537 15.322 1.00 20.60 N ATOM 179 CA MET A 24 20.011 27.109 14.042 1.00 23.19 C ATOM 180 C MET A 24 21.441 26.675 13.647 1.00 24.49 C ATOM 181 O MET A 24 22.287 26.569 14.546 1.00 23.83 O ATOM 182 CB MET A 24 20.052 28.624 14.173 1.00 25.44 C ATOM 183 CG MET A 24 18.863 29.453 13.871 1.00 31.87 C ATOM 184 SD MET A 24 19.114 31.209 14.339 1.00 34.06 S ATOM 185 CE MET A 24 17.368 31.647 14.437 1.00 35.46 C ATOM 186 N ALA A 25 21.660 26.633 12.348 1.00 24.43 N ATOM 187 CA ALA A 25 23.023 26.321 11.856 1.00 22.48 C ATOM 188 C ALA A 25 23.189 27.028 10.512 1.00 22.60 C ATOM 189 O ALA A 25 22.230 27.291 9.774 1.00 21.67 O ATOM 190 CB ALA A 25 23.263 24.842 11.686 1.00 20.29 C ATOM 191 N ALA A 26 24.435 27.242 10.121 1.00 22.62 N ATOM 192 CA ALA A 26 24.716 27.935 8.860 1.00 23.67 C ATOM 193 C ALA A 26 26.040 27.475 8.280 1.00 25.89 C ATOM 194 O ALA A 26 26.936 27.030 9.006 1.00 23.48 O ATOM 195 CB ALA A 26 24.662 29.430 9.138 1.00 22.90 C ATOM 196 N SER A 27 26.166 27.612 6.957 1.00 28.25 N ATOM 197 CA SER A 27 27.357 27.131 6.261 1.00 31.54 C ATOM 198 C SER A 27 28.546 28.078 6.403 1.00 34.24 C ATOM 199 O SER A 27 29.671 27.709 6.070 1.00 33.80 O ATOM 200 CB SER A 27 26.996 26.943 4.780 1.00 30.47 C ATOM 201 OG SER A 27 26.648 28.192 4.233 1.00 31.79 O ATOM 202 N ASP A 28 28.280 29.280 6.868 1.00 34.69 N ATOM 203 CA ASP A 28 29.238 30.339 7.050 1.00 38.90 C ATOM 204 C ASP A 28 28.977 31.064 8.365 1.00 37.03 C ATOM 205 O ASP A 28 27.838 31.480 8.595 1.00 36.37 O ATOM 206 CB ASP A 28 29.093 31.332 5.874 1.00 42.57 C ATOM 207 CG ASP A 28 30.380 32.096 5.633 1.00 47.48 C ATOM 208 OD1 ASP A 28 31.337 31.544 5.031 1.00 50.32 O ATOM 209 OD2 ASP A 28 30.444 33.270 6.049 1.00 49.22 O ATOM 210 N ILE A 29 29.985 31.242 9.204 1.00 36.69 N ATOM 211 CA ILE A 29 29.840 31.884 10.499 1.00 37.75 C ATOM 212 C ILE A 29 29.191 33.246 10.502 1.00 37.85 C ATOM 213 O ILE A 29 28.357 33.627 11.322 1.00 37.24 O ATOM 214 CB ILE A 29 31.242 32.032 11.161 1.00 38.52 C ATOM 215 CG1 ILE A 29 31.803 30.646 11.463 1.00 38.77 C ATOM 216 CG2 ILE A 29 31.183 32.894 12.424 1.00 39.25 C ATOM 217 CD1 ILE A 29 33.244 30.633 11.901 1.00 39.26 C ATOM 218 N SER A 30 29.598 34.091 9.569 1.00 39.79 N ATOM 219 CA SER A 30 29.163 35.459 9.386 1.00 43.02 C ATOM 220 C SER A 30 27.661 35.561 9.140 1.00 43.12 C ATOM 221 O SER A 30 27.019 36.542 9.535 1.00 42.77 O ATOM 222 CB SER A 30 29.942 36.101 8.219 1.00 44.63 C ATOM 223 OG SER A 30 29.665 35.393 7.012 1.00 47.49 O ATOM 224 N LEU A 31 27.057 34.498 8.610 1.00 43.15 N ATOM 225 CA LEU A 31 25.610 34.504 8.419 1.00 44.60 C ATOM 226 C LEU A 31 24.844 34.605 9.725 1.00 45.36 C ATOM 227 O LEU A 31 23.746 35.177 9.716 1.00 45.55 O ATOM 228 CB LEU A 31 25.212 33.256 7.634 1.00 44.07 C ATOM 229 CG LEU A 31 25.664 33.263 6.174 1.00 44.13 C ATOM 230 CD1 LEU A 31 25.425 31.885 5.575 1.00 44.70 C ATOM 231 CD2 LEU A 31 24.935 34.349 5.393 1.00 43.57 C ATOM 232 N LEU A 32 25.332 34.055 10.834 1.00 44.72 N ATOM 233 CA LEU A 32 24.608 34.126 12.102 1.00 46.02 C ATOM 234 C LEU A 32 25.412 34.838 13.193 1.00 50.03 C ATOM 235 O LEU A 32 25.093 34.752 14.381 1.00 48.35 O ATOM 236 CB LEU A 32 24.268 32.707 12.592 1.00 42.46 C ATOM 237 CG LEU A 32 23.239 31.910 11.798 1.00 40.40 C ATOM 238 CD1 LEU A 32 23.122 30.476 12.305 1.00 37.93 C ATOM 239 CD2 LEU A 32 21.881 32.611 11.840 1.00 38.35 C ATOM 240 N ASP A 33 26.478 35.520 12.784 1.00 55.16 N ATOM 241 CA ASP A 33 27.406 36.170 13.689 1.00 60.92 C ATOM 242 C ASP A 33 26.733 37.110 14.685 1.00 64.67 C ATOM 243 O ASP A 33 26.604 36.803 15.874 1.00 64.89 O ATOM 244 CB ASP A 33 28.495 36.915 12.904 1.00 60.97 C ATOM 245 CG ASP A 33 29.880 36.556 13.415 1.00 61.66 C ATOM 246 OD1 ASP A 33 29.975 35.661 14.279 1.00 61.17 O ATOM 247 OD2 ASP A 33 30.881 37.150 12.954 1.00 62.45 O ATOM 248 N ALA A 34 26.342 38.274 14.174 1.00 68.52 N ATOM 249 CA ALA A 34 25.643 39.264 14.978 1.00 71.56 C ATOM 250 C ALA A 34 24.173 39.243 14.569 1.00 73.59 C ATOM 251 O ALA A 34 23.807 39.019 13.414 1.00 73.67 O ATOM 252 CB ALA A 34 26.194 40.666 14.793 1.00 72.33 C ATOM 253 N GLN A 35 23.327 39.582 15.535 1.00 75.34 N ATOM 254 CA GLN A 35 21.875 39.646 15.335 1.00 76.33 C ATOM 255 C GLN A 35 21.550 40.303 14.017 1.00 75.20 C ATOM 256 O GLN A 35 20.825 39.794 13.162 1.00 76.22 O ATOM 257 CB GLN A 35 21.293 40.358 16.561 1.00 77.75 C ATOM 258 CG GLN A 35 21.455 39.430 17.760 1.00 79.53 C ATOM 259 CD GLN A 35 21.712 40.145 19.059 1.00 80.43 C ATOM 260 OE1 GLN A 35 21.466 41.342 19.173 1.00 80.90 O ATOM 261 NE2 GLN A 35 22.210 39.389 20.036 1.00 81.04 N ATOM 262 N SER A 36 22.184 41.430 13.764 1.00 73.34 N ATOM 263 CA SER A 36 22.204 42.212 12.559 1.00 71.10 C ATOM 264 C SER A 36 22.048 41.392 11.286 1.00 68.71 C ATOM 265 O SER A 36 21.285 41.756 10.388 1.00 68.90 O ATOM 266 CB SER A 36 23.599 42.882 12.519 1.00 71.66 C ATOM 267 OG SER A 36 24.099 43.064 13.840 1.00 71.85 O ATOM 268 N ALA A 37 22.832 40.328 11.149 1.00 65.63 N ATOM 269 CA ALA A 37 22.804 39.444 9.992 1.00 61.33 C ATOM 270 C ALA A 37 21.363 39.260 9.540 1.00 58.25 C ATOM 271 O ALA A 37 20.454 39.159 10.362 1.00 57.71 O ATOM 272 CB ALA A 37 23.456 38.125 10.345 1.00 61.38 C ATOM 273 N PRO A 38 21.162 39.217 8.233 1.00 55.33 N ATOM 274 CA PRO A 38 19.842 39.113 7.650 1.00 53.62 C ATOM 275 C PRO A 38 19.144 37.784 7.854 1.00 51.34 C ATOM 276 O PRO A 38 17.910 37.759 7.871 1.00 50.29 O ATOM 277 CB PRO A 38 20.045 39.356 6.155 1.00 54.35 C ATOM 278 CG PRO A 38 21.500 39.188 5.903 1.00 55.41 C ATOM 279 CD PRO A 38 22.224 39.348 7.207 1.00 55.24 C ATOM 280 N LEU A 39 19.941 36.713 7.952 1.00 48.54 N ATOM 281 CA LEU A 39 19.363 35.388 8.117 1.00 45.74 C ATOM 282 C LEU A 39 19.259 34.965 9.567 1.00 43.37 C ATOM 283 O LEU A 39 18.669 33.901 9.785 1.00 41.61 O ATOM 284 CB LEU A 39 20.095 34.381 7.234 1.00 46.77 C ATOM 285 CG LEU A 39 20.177 34.754 5.750 1.00 47.47 C ATOM 286 CD1 LEU A 39 20.791 33.613 4.950 1.00 47.40 C ATOM 287 CD2 LEU A 39 18.811 35.118 5.191 1.00 48.03 C ATOM 288 N ARG A 40 19.719 35.754 10.535 1.00 40.95 N ATOM 289 CA ARG A 40 19.518 35.429 11.946 1.00 39.55 C ATOM 290 C ARG A 40 18.131 35.906 12.403 1.00 38.12 C ATOM 291 O ARG A 40 17.934 36.919 13.097 1.00 37.08 O ATOM 292 CB ARG A 40 20.578 36.054 12.840 1.00 40.89 C ATOM 293 CG ARG A 40 20.407 35.792 14.327 1.00 43.74 C ATOM 294 CD ARG A 40 21.544 34.987 14.948 1.00 45.70 C ATOM 295 NE ARG A 40 21.402 34.904 16.397 1.00 46.33 N ATOM 296 CZ ARG A 40 22.351 35.030 17.316 1.00 46.91 C ATOM 297 NH1 ARG A 40 23.614 35.272 17.004 1.00 45.65 N ATOM 298 NH2 ARG A 40 22.010 34.920 18.600 1.00 47.60 N ATOM 299 N VAL A 41 17.105 35.146 12.015 1.00 34.45 N ATOM 300 CA VAL A 41 15.712 35.452 12.294 1.00 32.34 C ATOM 301 C VAL A 41 14.985 34.300 12.977 1.00 31.29 C ATOM 302 O VAL A 41 15.262 33.125 12.702 1.00 32.23 O ATOM 303 CB VAL A 41 14.997 35.816 10.976 1.00 33.25 C ATOM 304 CG1 VAL A 41 15.503 37.139 10.404 1.00 33.80 C ATOM 305 CG2 VAL A 41 15.205 34.716 9.946 1.00 34.57 C ATOM 306 N TYR A 42 14.053 34.594 13.858 1.00 28.97 N ATOM 307 CA TYR A 42 13.280 33.616 14.621 1.00 30.61 C ATOM 308 C TYR A 42 11.850 33.469 14.092 1.00 29.50 C ATOM 309 O TYR A 42 11.102 34.438 14.038 1.00 26.64 O ATOM 310 CB TYR A 42 13.210 34.070 16.091 1.00 34.84 C ATOM 311 CG TYR A 42 14.588 34.460 16.616 1.00 40.21 C ATOM 312 CD1 TYR A 42 15.525 33.486 16.928 1.00 42.26 C ATOM 313 CD2 TYR A 42 14.960 35.782 16.731 1.00 42.30 C ATOM 314 CE1 TYR A 42 16.787 33.831 17.382 1.00 44.42 C ATOM 315 CE2 TYR A 42 16.218 36.150 17.175 1.00 44.44 C ATOM 316 CZ TYR A 42 17.125 35.160 17.501 1.00 45.16 C ATOM 317 OH TYR A 42 18.387 35.507 17.939 1.00 46.74 O ATOM 318 N VAL A 43 11.454 32.279 13.688 1.00 29.56 N ATOM 319 CA VAL A 43 10.096 32.070 13.195 1.00 30.19 C ATOM 320 C VAL A 43 9.108 32.088 14.352 1.00 31.69 C ATOM 321 O VAL A 43 9.307 31.452 15.386 1.00 32.97 O ATOM 322 CB VAL A 43 10.035 30.754 12.411 1.00 31.07 C ATOM 323 CG1 VAL A 43 8.612 30.410 11.983 1.00 28.87 C ATOM 324 CG2 VAL A 43 11.005 30.908 11.242 1.00 29.16 C ATOM 325 N GLU A 44 8.050 32.854 14.157 1.00 29.48 N ATOM 326 CA GLU A 44 6.991 32.955 15.171 1.00 30.92 C ATOM 327 C GLU A 44 5.759 32.203 14.691 1.00 28.34 C ATOM 328 O GLU A 44 5.065 31.601 15.491 1.00 25.84 O ATOM 329 CB GLU A 44 6.690 34.437 15.329 1.00 35.41 C ATOM 330 CG GLU A 44 5.372 34.945 15.825 1.00 41.99 C ATOM 331 CD GLU A 44 5.458 36.220 16.650 1.00 45.67 C ATOM 332 OE1 GLU A 44 6.502 36.912 16.650 1.00 47.67 O ATOM 333 OE2 GLU A 44 4.438 36.536 17.317 1.00 48.72 O ATOM 334 N GLU A 45 5.495 32.244 13.382 1.00 25.98 N ATOM 335 CA GLU A 45 4.265 31.636 12.861 1.00 26.40 C ATOM 336 C GLU A 45 4.318 31.350 11.373 1.00 23.92 C ATOM 337 O GLU A 45 4.890 32.154 10.653 1.00 25.01 O ATOM 338 CB GLU A 45 3.172 32.690 13.140 1.00 28.77 C ATOM 339 CG GLU A 45 1.852 32.279 13.692 1.00 33.44 C ATOM 340 CD GLU A 45 0.798 33.379 13.716 1.00 35.71 C ATOM 341 OE1 GLU A 45 0.855 34.352 14.487 1.00 38.74 O ATOM 342 OE2 GLU A 45 -0.135 33.245 12.916 1.00 37.16 O ATOM 343 N LEU A 46 3.681 30.314 10.888 1.00 23.11 N ATOM 344 CA LEU A 46 3.610 29.946 9.492 1.00 24.60 C ATOM 345 C LEU A 46 2.142 30.046 9.054 1.00 24.71 C ATOM 346 O LEU A 46 1.267 29.532 9.768 1.00 22.75 O ATOM 347 CB LEU A 46 4.165 28.561 9.159 1.00 23.15 C ATOM 348 CG LEU A 46 5.652 28.304 9.397 1.00 24.16 C ATOM 349 CD1 LEU A 46 6.070 26.950 8.813 1.00 22.36 C ATOM 350 CD2 LEU A 46 6.459 29.411 8.711 1.00 21.66 C ATOM 351 N LYS A 47 1.916 30.796 7.967 1.00 25.70 N ATOM 352 CA LYS A 47 0.543 30.891 7.480 1.00 30.75 C ATOM 353 C LYS A 47 0.442 30.625 5.979 1.00 29.40 C ATOM 354 O LYS A 47 0.644 31.481 5.120 1.00 29.97 O ATOM 355 CB LYS A 47 -0.219 32.169 7.804 1.00 35.02 C ATOM 356 CG LYS A 47 0.609 33.320 8.324 1.00 41.29 C ATOM 357 CD LYS A 47 0.287 33.634 9.781 1.00 43.60 C ATOM 358 CE LYS A 47 -0.516 34.927 9.887 1.00 45.39 C ATOM 359 NZ LYS A 47 -1.978 34.703 9.731 1.00 45.37 N ATOM 360 N PRO A 48 0.077 29.405 5.656 1.00 29.15 N ATOM 361 CA PRO A 48 -0.138 29.003 4.288 1.00 30.58 C ATOM 362 C PRO A 48 -1.321 29.787 3.726 1.00 31.34 C ATOM 363 O PRO A 48 -2.210 30.120 4.507 1.00 31.90 O ATOM 364 CB PRO A 48 -0.568 27.544 4.344 1.00 29.98 C ATOM 365 CG PRO A 48 -0.172 27.080 5.704 1.00 30.83 C ATOM 366 CD PRO A 48 -0.194 28.288 6.596 1.00 30.86 C ATOM 367 N THR A 49 -1.307 30.010 2.426 1.00 32.33 N ATOM 368 CA THR A 49 -2.479 30.681 1.843 1.00 34.43 C ATOM 369 C THR A 49 -3.324 29.634 1.124 1.00 36.74 C ATOM 370 O THR A 49 -2.840 28.592 0.677 1.00 35.13 O ATOM 371 CB THR A 49 -2.011 31.767 0.871 1.00 34.19 C ATOM 372 OG1 THR A 49 -1.330 31.187 -0.264 1.00 33.48 O ATOM 373 CG2 THR A 49 -1.077 32.753 1.575 1.00 34.62 C ATOM 374 N PRO A 50 -4.603 29.945 0.891 1.00 40.09 N ATOM 375 CA PRO A 50 -5.494 29.129 0.078 1.00 40.84 C ATOM 376 C PRO A 50 -4.864 28.783 -1.269 1.00 41.06 C ATOM 377 O PRO A 50 -5.038 27.663 -1.757 1.00 41.19 O ATOM 378 CB PRO A 50 -6.713 30.043 -0.102 1.00 42.14 C ATOM 379 CG PRO A 50 -6.765 30.806 1.191 1.00 42.19 C ATOM 380 CD PRO A 50 -5.326 31.104 1.517 1.00 41.09 C ATOM 381 N GLU A 51 -4.071 29.677 -1.878 1.00 40.58 N ATOM 382 CA GLU A 51 -3.345 29.455 -3.085 1.00 41.30 C ATOM 383 C GLU A 51 -2.080 28.604 -2.926 1.00 38.40 C ATOM 384 O GLU A 51 -1.468 28.424 -3.978 1.00 37.12 O ATOM 385 CB GLU A 51 -2.846 30.679 -3.858 1.00 45.30 C ATOM 386 CG GLU A 51 -2.883 32.016 -3.183 1.00 51.67 C ATOM 387 CD GLU A 51 -4.301 32.562 -3.102 1.00 55.57 C ATOM 388 OE1 GLU A 51 -5.242 31.950 -3.647 1.00 56.73 O ATOM 389 OE2 GLU A 51 -4.468 33.579 -2.371 1.00 57.85 O ATOM 390 N GLY A 52 -1.670 28.145 -1.762 1.00 34.40 N ATOM 391 CA GLY A 52 -0.475 27.313 -1.724 1.00 32.51 C ATOM 392 C GLY A 52 0.841 28.038 -1.516 1.00 29.24 C ATOM 393 O GLY A 52 1.879 27.357 -1.409 1.00 29.38 O ATOM 394 N ASP A 53 0.796 29.323 -1.245 1.00 25.93 N ATOM 395 CA ASP A 53 1.988 30.090 -0.880 1.00 26.90 C ATOM 396 C ASP A 53 2.194 30.066 0.636 1.00 24.64 C ATOM 397 O ASP A 53 1.340 29.596 1.386 1.00 25.80 O ATOM 398 CB ASP A 53 1.850 31.549 -1.320 1.00 25.83 C ATOM 399 CG ASP A 53 1.804 31.578 -2.841 1.00 27.90 C ATOM 400 OD1 ASP A 53 2.445 30.756 -3.538 1.00 29.36 O ATOM 401 OD2 ASP A 53 1.089 32.479 -3.281 1.00 28.99 O ATOM 402 N LEU A 54 3.326 30.548 1.112 1.00 25.02 N ATOM 403 CA LEU A 54 3.568 30.518 2.560 1.00 25.68 C ATOM 404 C LEU A 54 3.921 31.885 3.116 1.00 26.27 C ATOM 405 O LEU A 54 4.936 32.482 2.761 1.00 26.48 O ATOM 406 CB LEU A 54 4.695 29.537 2.836 1.00 25.86 C ATOM 407 CG LEU A 54 5.091 29.304 4.290 1.00 27.09 C ATOM 408 CD1 LEU A 54 3.938 28.735 5.119 1.00 27.80 C ATOM 409 CD2 LEU A 54 6.296 28.355 4.258 1.00 28.76 C ATOM 410 N GLU A 55 3.126 32.323 4.083 1.00 27.43 N ATOM 411 CA GLU A 55 3.409 33.598 4.748 1.00 28.20 C ATOM 412 C GLU A 55 4.129 33.248 6.047 1.00 26.72 C ATOM 413 O GLU A 55 3.728 32.355 6.797 1.00 26.02 O ATOM 414 CB GLU A 55 2.102 34.330 4.935 1.00 32.79 C ATOM 415 CG GLU A 55 2.139 35.731 5.508 1.00 38.95 C ATOM 416 CD GLU A 55 0.737 36.337 5.391 1.00 42.09 C ATOM 417 OE1 GLU A 55 0.106 36.193 4.322 1.00 44.62 O ATOM 418 OE2 GLU A 55 0.284 36.932 6.377 1.00 45.26 O ATOM 419 N ILE A 56 5.278 33.871 6.223 1.00 24.06 N ATOM 420 CA ILE A 56 6.153 33.608 7.358 1.00 24.63 C ATOM 421 C ILE A 56 6.271 34.840 8.262 1.00 25.50 C ATOM 422 O ILE A 56 6.701 35.886 7.752 1.00 24.34 O ATOM 423 CB ILE A 56 7.558 33.227 6.871 1.00 24.33 C ATOM 424 CG1 ILE A 56 7.516 32.035 5.894 1.00 26.20 C ATOM 425 CG2 ILE A 56 8.445 32.878 8.044 1.00 24.83 C ATOM 426 CD1 ILE A 56 8.787 31.881 5.083 1.00 26.97 C ATOM 427 N LEU A 57 5.912 34.669 9.529 1.00 24.67 N ATOM 428 CA LEU A 57 6.054 35.774 10.479 1.00 25.27 C ATOM 429 C LEU A 57 7.322 35.464 11.306 1.00 24.08 C ATOM 430 O LEU A 57 7.441 34.362 11.836 1.00 20.61 O ATOM 431 CB LEU A 57 4.945 36.029 11.460 1.00 29.34 C ATOM 432 CG LEU A 57 3.470 35.766 11.283 1.00 34.48 C ATOM 433 CD1 LEU A 57 2.647 36.829 12.038 1.00 35.48 C ATOM 434 CD2 LEU A 57 3.008 35.725 9.837 1.00 36.20 C ATOM 435 N LEU A 58 8.245 36.388 11.283 1.00 25.08 N ATOM 436 CA LEU A 58 9.553 36.249 11.875 1.00 29.16 C ATOM 437 C LEU A 58 9.873 37.412 12.839 1.00 30.55 C ATOM 438 O LEU A 58 9.467 38.545 12.580 1.00 29.27 O ATOM 439 CB LEU A 58 10.587 36.380 10.747 1.00 30.24 C ATOM 440 CG LEU A 58 10.696 35.465 9.544 1.00 32.87 C ATOM 441 CD1 LEU A 58 11.627 36.046 8.496 1.00 31.25 C ATOM 442 CD2 LEU A 58 11.226 34.079 9.921 1.00 31.36 C ATOM 443 N GLN A 59 10.739 37.179 13.802 1.00 32.51 N ATOM 444 CA GLN A 59 11.245 38.208 14.699 1.00 37.45 C ATOM 445 C GLN A 59 12.735 38.370 14.372 1.00 39.69 C ATOM 446 O GLN A 59 13.408 37.410 13.977 1.00 36.09 O ATOM 447 CB GLN A 59 10.989 38.058 16.177 1.00 40.41 C ATOM 448 CG GLN A 59 10.675 36.720 16.773 1.00 45.03 C ATOM 449 CD GLN A 59 10.199 36.754 18.211 1.00 47.86 C ATOM 450 OE1 GLN A 59 9.018 37.002 18.503 1.00 49.50 O ATOM 451 NE2 GLN A 59 11.110 36.463 19.129 1.00 49.14 N ATOM 452 N LYS A 60 13.177 39.615 14.454 1.00 42.63 N ATOM 453 CA LYS A 60 14.533 40.007 14.111 1.00 48.92 C ATOM 454 C LYS A 60 15.067 41.084 15.038 1.00 53.80 C ATOM 455 O LYS A 60 14.256 41.989 15.338 1.00 52.72 O ATOM 456 CB LYS A 60 14.463 40.655 12.729 1.00 48.75 C ATOM 457 CG LYS A 60 15.699 40.840 11.921 1.00 50.18 C ATOM 458 CD LYS A 60 17.052 40.653 12.555 1.00 50.27 C ATOM 459 CE LYS A 60 18.186 41.015 11.603 1.00 50.11 C ATOM 460 NZ LYS A 60 17.777 40.881 10.174 1.00 50.17 N ATOM 461 N TRP A 61 16.258 40.995 15.600 1.00 61.16 N ATOM 462 CA TRP A 61 16.713 42.069 16.509 1.00 68.73 C ATOM 463 C TRP A 61 17.012 43.310 15.670 1.00 71.66 C ATOM 464 O TRP A 61 17.821 43.245 14.742 1.00 72.31 O ATOM 465 CB TRP A 61 17.899 41.635 17.343 1.00 71.74 C ATOM 466 CG TRP A 61 18.454 42.596 18.345 1.00 74.79 C ATOM 467 CD1 TRP A 61 19.542 43.411 18.179 1.00 75.58 C ATOM 468 CD2 TRP A 61 17.978 42.847 19.674 1.00 76.14 C ATOM 469 NE1 TRP A 61 19.764 44.145 19.316 1.00 76.48 N ATOM 470 CE2 TRP A 61 18.819 43.822 20.249 1.00 76.58 C ATOM 471 CE3 TRP A 61 16.915 42.343 20.431 1.00 76.66 C ATOM 472 CZ2 TRP A 61 18.639 44.294 21.547 1.00 77.40 C ATOM 473 CZ3 TRP A 61 16.730 42.818 21.715 1.00 77.32 C ATOM 474 CH2 TRP A 61 17.586 43.785 22.263 1.00 77.66 C ATOM 475 N GLU A 62 16.326 44.411 15.961 1.00 74.99 N ATOM 476 CA GLU A 62 16.500 45.639 15.178 1.00 78.07 C ATOM 477 C GLU A 62 16.354 46.891 16.024 1.00 78.19 C ATOM 478 O GLU A 62 15.304 47.141 16.621 1.00 78.69 O ATOM 479 CB GLU A 62 15.488 45.606 14.030 1.00 80.41 C ATOM 480 CG GLU A 62 15.144 46.887 13.319 1.00 82.99 C ATOM 481 CD GLU A 62 13.856 47.574 13.712 1.00 84.26 C ATOM 482 OE1 GLU A 62 13.377 47.447 14.859 1.00 84.91 O ATOM 483 OE2 GLU A 62 13.272 48.284 12.854 1.00 85.07 O ATOM 484 N ASN A 63 17.406 47.707 16.108 1.00 77.77 N ATOM 485 CA ASN A 63 17.337 48.950 16.881 1.00 77.63 C ATOM 486 C ASN A 63 17.011 48.691 18.343 1.00 76.42 C ATOM 487 O ASN A 63 16.101 49.236 18.968 1.00 75.69 O ATOM 488 CB ASN A 63 16.282 49.860 16.241 1.00 78.80 C ATOM 489 CG ASN A 63 16.597 50.292 14.826 1.00 79.84 C ATOM 490 OD1 ASN A 63 17.737 50.609 14.483 1.00 80.52 O ATOM 491 ND2 ASN A 63 15.579 50.304 13.969 1.00 80.42 N ATOM 492 N ASP A 64 17.743 47.767 18.956 1.00 74.90 N ATOM 493 CA ASP A 64 17.649 47.268 20.307 1.00 73.61 C ATOM 494 C ASP A 64 16.230 46.882 20.710 1.00 72.66 C ATOM 495 O ASP A 64 15.803 46.894 21.861 1.00 73.16 O ATOM 496 CB ASP A 64 18.319 48.157 21.372 1.00 72.98 C ATOM 497 CG ASP A 64 19.656 48.641 20.813 1.00 72.94 C ATOM 498 OD1 ASP A 64 20.335 47.813 20.159 1.00 73.13 O ATOM 499 OD2 ASP A 64 19.983 49.826 20.989 1.00 72.11 O ATOM 500 N GLU A 65 15.495 46.386 19.729 1.00 71.62 N ATOM 501 CA GLU A 65 14.130 45.963 19.787 1.00 70.06 C ATOM 502 C GLU A 65 13.954 44.593 19.114 1.00 67.19 C ATOM 503 O GLU A 65 14.765 44.117 18.340 1.00 67.03 O ATOM 504 CB GLU A 65 13.218 46.879 18.957 1.00 72.35 C ATOM 505 CG GLU A 65 13.221 48.353 19.278 1.00 74.62 C ATOM 506 CD GLU A 65 12.198 48.680 20.350 1.00 75.81 C ATOM 507 OE1 GLU A 65 11.019 48.799 19.953 1.00 76.60 O ATOM 508 OE2 GLU A 65 12.592 48.804 21.525 1.00 76.55 O ATOM 509 N CYS A 66 12.775 44.065 19.396 1.00 63.97 N ATOM 510 CA CYS A 66 12.321 42.831 18.795 1.00 60.41 C ATOM 511 C CYS A 66 11.367 43.251 17.674 1.00 56.97 C ATOM 512 O CYS A 66 10.229 43.590 17.957 1.00 57.23 O ATOM 513 CB CYS A 66 11.690 41.882 19.794 1.00 61.66 C ATOM 514 SG CYS A 66 11.564 40.159 19.269 1.00 62.65 S ATOM 515 N ALA A 67 11.893 43.296 16.461 1.00 52.97 N ATOM 516 CA ALA A 67 11.095 43.708 15.306 1.00 49.65 C ATOM 517 C ALA A 67 10.450 42.515 14.598 1.00 47.86 C ATOM 518 O ALA A 67 10.999 41.424 14.510 1.00 45.11 O ATOM 519 CB ALA A 67 11.984 44.464 14.332 1.00 48.83 C ATOM 520 N GLN A 68 9.255 42.720 14.078 1.00 46.66 N ATOM 521 CA GLN A 68 8.505 41.718 13.348 1.00 47.22 C ATOM 522 C GLN A 68 8.614 41.934 11.844 1.00 44.93 C ATOM 523 O GLN A 68 8.672 43.067 11.371 1.00 45.68 O ATOM 524 CB GLN A 68 7.041 41.741 13.783 1.00 50.20 C ATOM 525 CG GLN A 68 6.902 41.400 15.263 1.00 54.59 C ATOM 526 CD GLN A 68 7.167 39.935 15.539 1.00 57.15 C ATOM 527 OE1 GLN A 68 6.669 39.048 14.833 1.00 59.32 O ATOM 528 NE2 GLN A 68 7.949 39.657 16.578 1.00 58.40 N ATOM 529 N LYS A 69 8.749 40.858 11.092 1.00 41.38 N ATOM 530 CA LYS A 69 8.861 40.864 9.649 1.00 39.37 C ATOM 531 C LYS A 69 7.864 39.869 9.056 1.00 36.74 C ATOM 532 O LYS A 69 7.737 38.782 9.614 1.00 35.28 O ATOM 533 CB LYS A 69 10.237 40.430 9.136 1.00 40.98 C ATOM 534 CG LYS A 69 11.371 41.341 9.557 1.00 43.91 C ATOM 535 CD LYS A 69 12.373 41.542 8.417 1.00 46.36 C ATOM 536 CE LYS A 69 12.754 43.025 8.422 1.00 48.48 C ATOM 537 NZ LYS A 69 14.039 43.291 7.727 1.00 50.17 N ATOM 538 N LYS A 70 7.200 40.238 7.977 1.00 35.55 N ATOM 539 CA LYS A 70 6.258 39.325 7.343 1.00 36.59 C ATOM 540 C LYS A 70 6.727 39.117 5.910 1.00 35.79 C ATOM 541 O LYS A 70 6.871 40.069 5.141 1.00 34.93 O ATOM 542 CB LYS A 70 4.805 39.779 7.427 1.00 39.35 C ATOM 543 CG LYS A 70 3.853 38.746 6.831 1.00 43.18 C ATOM 544 CD LYS A 70 2.388 38.983 7.146 1.00 45.59 C ATOM 545 CE LYS A 70 1.744 39.949 6.161 1.00 47.39 C ATOM 546 NZ LYS A 70 0.363 39.478 5.800 1.00 47.85 N ATOM 547 N ILE A 71 7.098 37.874 5.590 1.00 34.18 N ATOM 548 CA ILE A 71 7.594 37.585 4.244 1.00 33.76 C ATOM 549 C ILE A 71 6.725 36.517 3.584 1.00 32.66 C ATOM 550 O ILE A 71 6.216 35.610 4.245 1.00 30.78 O ATOM 551 CB ILE A 71 9.069 37.178 4.249 1.00 36.45 C ATOM 552 CG1 ILE A 71 9.282 35.826 4.946 1.00 37.74 C ATOM 553 CG2 ILE A 71 9.998 38.214 4.901 1.00 37.40 C ATOM 554 CD1 ILE A 71 10.605 35.193 4.526 1.00 41.39 C ATOM 555 N ILE A 72 6.539 36.595 2.275 1.00 31.68 N ATOM 556 CA ILE A 72 5.744 35.609 1.557 1.00 31.62 C ATOM 557 C ILE A 72 6.716 34.764 0.728 1.00 29.48 C ATOM 558 O ILE A 72 7.539 35.270 -0.017 1.00 27.34 O ATOM 559 CB ILE A 72 4.717 36.172 0.558 1.00 33.59 C ATOM 560 CG1 ILE A 72 4.028 37.412 1.105 1.00 35.44 C ATOM 561 CG2 ILE A 72 3.651 35.142 0.167 1.00 33.03 C ATOM 562 CD1 ILE A 72 3.204 37.209 2.350 1.00 36.83 C ATOM 563 N ALA A 73 6.635 33.467 0.953 1.00 27.41 N ATOM 564 CA ALA A 73 7.420 32.526 0.161 1.00 27.68 C ATOM 565 C ALA A 73 6.421 31.891 -0.823 1.00 28.07 C ATOM 566 O ALA A 73 5.422 31.271 -0.427 1.00 28.87 O ATOM 567 CB ALA A 73 8.154 31.556 1.056 1.00 27.01 C ATOM 568 N GLU A 74 6.608 32.076 -2.114 1.00 28.15 N ATOM 569 CA GLU A 74 5.693 31.587 -3.133 1.00 27.42 C ATOM 570 C GLU A 74 5.934 30.152 -3.567 1.00 27.12 C ATOM 571 O GLU A 74 7.110 29.830 -3.677 1.00 24.28 O ATOM 572 CB GLU A 74 5.771 32.515 -4.368 1.00 30.48 C ATOM 573 CG GLU A 74 5.430 33.941 -4.014 1.00 36.40 C ATOM 574 CD GLU A 74 5.569 34.916 -5.175 1.00 40.02 C ATOM 575 OE1 GLU A 74 5.513 34.469 -6.338 1.00 43.17 O ATOM 576 OE2 GLU A 74 5.750 36.116 -4.884 1.00 41.22 O ATOM 577 N LYS A 75 4.885 29.361 -3.820 1.00 27.61 N ATOM 578 CA LYS A 75 5.180 27.988 -4.257 1.00 31.69 C ATOM 579 C LYS A 75 5.901 27.991 -5.600 1.00 30.30 C ATOM 580 O LYS A 75 5.959 28.966 -6.348 1.00 29.35 O ATOM 581 CB LYS A 75 3.922 27.136 -4.315 1.00 36.33 C ATOM 582 CG LYS A 75 3.001 27.576 -5.426 1.00 40.60 C ATOM 583 CD LYS A 75 1.778 26.666 -5.474 1.00 43.45 C ATOM 584 CE LYS A 75 0.578 27.553 -5.720 1.00 45.47 C ATOM 585 NZ LYS A 75 0.833 28.936 -6.190 1.00 47.18 N ATOM 586 N THR A 76 6.636 26.946 -5.876 1.00 29.84 N ATOM 587 CA THR A 76 7.434 26.777 -7.084 1.00 30.22 C ATOM 588 C THR A 76 6.945 25.479 -7.717 1.00 31.92 C ATOM 589 O THR A 76 6.010 24.881 -7.178 1.00 31.74 O ATOM 590 CB THR A 76 8.941 26.641 -6.812 1.00 30.35 C ATOM 591 OG1 THR A 76 9.197 25.370 -6.170 1.00 28.56 O ATOM 592 CG2 THR A 76 9.451 27.794 -5.952 1.00 29.53 C ATOM 593 N LYS A 77 7.618 25.000 -8.751 1.00 35.63 N ATOM 594 CA LYS A 77 7.186 23.737 -9.365 1.00 38.84 C ATOM 595 C LYS A 77 7.695 22.543 -8.568 1.00 39.41 C ATOM 596 O LYS A 77 7.293 21.414 -8.882 1.00 40.51 O ATOM 597 CB LYS A 77 7.601 23.651 -10.827 1.00 40.15 C ATOM 598 CG LYS A 77 6.638 24.390 -11.755 1.00 43.30 C ATOM 599 CD LYS A 77 6.715 23.790 -13.161 1.00 46.59 C ATOM 600 CE LYS A 77 5.649 24.412 -14.062 1.00 47.84 C ATOM 601 NZ LYS A 77 5.591 25.891 -13.845 1.00 49.34 N ATOM 602 N ILE A 78 8.562 22.779 -7.596 1.00 38.01 N ATOM 603 CA ILE A 78 9.073 21.729 -6.723 1.00 37.84 C ATOM 604 C ILE A 78 8.337 21.833 -5.401 1.00 37.57 C ATOM 605 O ILE A 78 8.291 22.880 -4.751 1.00 35.93 O ATOM 606 CB ILE A 78 10.582 21.826 -6.524 1.00 39.65 C ATOM 607 CG1 ILE A 78 11.266 21.614 -7.891 1.00 41.02 C ATOM 608 CG2 ILE A 78 11.166 20.791 -5.577 1.00 39.73 C ATOM 609 CD1 ILE A 78 12.392 22.607 -8.069 1.00 43.04 C ATOM 610 N PRO A 79 7.650 20.754 -5.037 1.00 37.84 N ATOM 611 CA PRO A 79 6.923 20.727 -3.774 1.00 36.94 C ATOM 612 C PRO A 79 8.033 20.796 -2.734 1.00 34.87 C ATOM 613 O PRO A 79 9.201 20.459 -3.003 1.00 35.69 O ATOM 614 CB PRO A 79 6.157 19.418 -3.811 1.00 39.15 C ATOM 615 CG PRO A 79 7.069 18.526 -4.604 1.00 39.54 C ATOM 616 CD PRO A 79 7.623 19.431 -5.692 1.00 38.45 C ATOM 617 N ALA A 80 7.726 21.395 -1.606 1.00 31.28 N ATOM 618 CA ALA A 80 8.653 21.621 -0.500 1.00 29.00 C ATOM 619 C ALA A 80 9.622 22.776 -0.706 1.00 26.12 C ATOM 620 O ALA A 80 10.414 23.096 0.195 1.00 25.98 O ATOM 621 CB ALA A 80 9.397 20.318 -0.172 1.00 28.19 C ATOM 622 N VAL A 81 9.668 23.427 -1.859 1.00 25.28 N ATOM 623 CA VAL A 81 10.588 24.511 -2.193 1.00 24.56 C ATOM 624 C VAL A 81 9.835 25.807 -2.512 1.00 24.48 C ATOM 625 O VAL A 81 8.928 25.784 -3.346 1.00 23.87 O ATOM 626 CB VAL A 81 11.491 24.147 -3.389 1.00 25.94 C ATOM 627 CG1 VAL A 81 12.394 25.324 -3.736 1.00 25.95 C ATOM 628 CG2 VAL A 81 12.336 22.904 -3.073 1.00 25.74 C ATOM 629 N PHE A 82 10.056 26.855 -1.709 1.00 23.60 N ATOM 630 CA PHE A 82 9.355 28.106 -1.834 1.00 24.56 C ATOM 631 C PHE A 82 10.340 29.225 -2.159 1.00 26.03 C ATOM 632 O PHE A 82 11.517 29.173 -1.765 1.00 27.71 O ATOM 633 CB PHE A 82 8.502 28.443 -0.603 1.00 24.21 C ATOM 634 CG PHE A 82 7.422 27.432 -0.345 1.00 25.75 C ATOM 635 CD1 PHE A 82 7.734 26.247 0.314 1.00 24.45 C ATOM 636 CD2 PHE A 82 6.115 27.643 -0.757 1.00 24.95 C ATOM 637 CE1 PHE A 82 6.770 25.284 0.530 1.00 26.33 C ATOM 638 CE2 PHE A 82 5.142 26.679 -0.522 1.00 26.91 C ATOM 639 CZ PHE A 82 5.464 25.483 0.117 1.00 25.03 C ATOM 640 N LYS A 83 9.866 30.210 -2.916 1.00 25.72 N ATOM 641 CA LYS A 83 10.759 31.287 -3.341 1.00 26.61 C ATOM 642 C LYS A 83 10.367 32.625 -2.728 1.00 25.73 C ATOM 643 O LYS A 83 9.224 33.060 -2.800 1.00 24.61 O ATOM 644 CB LYS A 83 10.734 31.358 -4.872 1.00 30.73 C ATOM 645 CG LYS A 83 11.425 32.576 -5.466 1.00 37.08 C ATOM 646 CD LYS A 83 11.604 32.474 -6.976 1.00 39.31 C ATOM 647 CE LYS A 83 12.791 31.595 -7.320 1.00 42.18 C ATOM 648 NZ LYS A 83 12.478 30.134 -7.291 1.00 43.67 N ATOM 649 N ILE A 84 11.334 33.284 -2.112 1.00 25.37 N ATOM 650 CA ILE A 84 11.105 34.646 -1.605 1.00 27.84 C ATOM 651 C ILE A 84 11.588 35.531 -2.766 1.00 31.03 C ATOM 652 O ILE A 84 12.788 35.645 -3.050 1.00 31.02 O ATOM 653 CB ILE A 84 11.811 34.938 -0.299 1.00 27.13 C ATOM 654 CG1 ILE A 84 11.332 33.962 0.787 1.00 27.07 C ATOM 655 CG2 ILE A 84 11.468 36.356 0.189 1.00 28.78 C ATOM 656 CD1 ILE A 84 12.379 33.822 1.870 1.00 29.58 C ATOM 657 N ASP A 85 10.626 36.073 -3.498 1.00 34.20 N ATOM 658 CA ASP A 85 10.872 36.792 -4.740 1.00 37.80 C ATOM 659 C ASP A 85 11.046 38.293 -4.599 1.00 37.55 C ATOM 660 O ASP A 85 10.437 39.138 -5.246 1.00 37.76 O ATOM 661 CB ASP A 85 9.731 36.403 -5.689 1.00 42.12 C ATOM 662 CG ASP A 85 10.108 36.574 -7.151 1.00 46.44 C ATOM 663 OD1 ASP A 85 11.004 35.872 -7.661 1.00 47.95 O ATOM 664 OD2 ASP A 85 9.462 37.448 -7.775 1.00 47.95 O ATOM 665 N ALA A 86 11.976 38.662 -3.742 1.00 36.31 N ATOM 666 CA ALA A 86 12.397 39.990 -3.373 1.00 34.59 C ATOM 667 C ALA A 86 13.518 40.472 -4.283 1.00 34.98 C ATOM 668 O ALA A 86 13.926 39.733 -5.185 1.00 35.01 O ATOM 669 CB ALA A 86 12.916 39.875 -1.935 1.00 34.14 C ATOM 670 N LEU A 87 14.097 41.647 -4.042 1.00 33.89 N ATOM 671 CA LEU A 87 15.229 42.085 -4.869 1.00 35.52 C ATOM 672 C LEU A 87 16.365 41.069 -4.731 1.00 37.43 C ATOM 673 O LEU A 87 16.962 40.691 -5.732 1.00 38.47 O ATOM 674 CB LEU A 87 15.713 43.471 -4.456 1.00 34.60 C ATOM 675 CG LEU A 87 14.616 44.552 -4.557 1.00 34.18 C ATOM 676 CD1 LEU A 87 15.044 45.826 -3.850 1.00 35.49 C ATOM 677 CD2 LEU A 87 14.260 44.777 -6.010 1.00 32.85 C ATOM 678 N ASN A 88 16.661 40.631 -3.520 1.00 38.59 N ATOM 679 CA ASN A 88 17.663 39.585 -3.274 1.00 40.64 C ATOM 680 C ASN A 88 16.928 38.250 -3.124 1.00 40.42 C ATOM 681 O ASN A 88 16.219 38.041 -2.131 1.00 39.48 O ATOM 682 CB ASN A 88 18.432 39.928 -2.001 1.00 43.08 C ATOM 683 CG ASN A 88 19.139 41.270 -2.122 1.00 45.31 C ATOM 684 OD1 ASN A 88 20.215 41.355 -2.721 1.00 46.41 O ATOM 685 ND2 ASN A 88 18.547 42.314 -1.560 1.00 46.24 N ATOM 686 N GLU A 89 17.039 37.365 -4.101 1.00 39.15 N ATOM 687 CA GLU A 89 16.264 36.140 -4.094 1.00 40.72 C ATOM 688 C GLU A 89 16.698 35.094 -3.078 1.00 37.29 C ATOM 689 O GLU A 89 17.889 34.844 -2.894 1.00 35.27 O ATOM 690 CB GLU A 89 16.222 35.531 -5.503 1.00 45.69 C ATOM 691 CG GLU A 89 14.835 35.035 -5.871 1.00 52.14 C ATOM 692 CD GLU A 89 14.165 35.803 -6.991 1.00 55.66 C ATOM 693 OE1 GLU A 89 14.466 35.526 -8.178 1.00 58.02 O ATOM 694 OE2 GLU A 89 13.318 36.679 -6.706 1.00 58.38 O ATOM 695 N ASN A 90 15.705 34.507 -2.404 1.00 33.77 N ATOM 696 CA ASN A 90 16.012 33.476 -1.417 1.00 33.63 C ATOM 697 C ASN A 90 15.029 32.310 -1.581 1.00 31.16 C ATOM 698 O ASN A 90 13.886 32.510 -1.964 1.00 31.56 O ATOM 699 CB ASN A 90 15.949 33.945 0.023 1.00 35.67 C ATOM 700 CG ASN A 90 17.100 34.759 0.552 1.00 38.28 C ATOM 701 OD1 ASN A 90 17.038 35.991 0.651 1.00 40.59 O ATOM 702 ND2 ASN A 90 18.209 34.152 0.932 1.00 39.11 N ATOM 703 N LYS A 91 15.490 31.110 -1.307 1.00 26.90 N ATOM 704 CA LYS A 91 14.616 29.945 -1.371 1.00 27.90 C ATOM 705 C LYS A 91 14.434 29.398 0.041 1.00 27.25 C ATOM 706 O LYS A 91 15.343 29.519 0.883 1.00 28.07 O ATOM 707 CB LYS A 91 15.160 28.862 -2.302 1.00 30.23 C ATOM 708 CG LYS A 91 15.169 29.299 -3.756 1.00 33.70 C ATOM 709 CD LYS A 91 15.557 28.180 -4.700 1.00 37.58 C ATOM 710 CE LYS A 91 15.423 28.644 -6.158 1.00 40.64 C ATOM 711 NZ LYS A 91 16.510 28.010 -6.974 1.00 42.87 N ATOM 712 N VAL A 92 13.250 28.894 0.316 1.00 25.30 N ATOM 713 CA VAL A 92 12.906 28.247 1.583 1.00 25.65 C ATOM 714 C VAL A 92 12.675 26.769 1.243 1.00 25.47 C ATOM 715 O VAL A 92 11.953 26.482 0.281 1.00 23.16 O ATOM 716 CB VAL A 92 11.635 28.846 2.193 1.00 26.54 C ATOM 717 CG1 VAL A 92 11.324 28.218 3.539 1.00 27.53 C ATOM 718 CG2 VAL A 92 11.797 30.352 2.311 1.00 26.65 C ATOM 719 N LEU A 93 13.378 25.875 1.925 1.00 24.85 N ATOM 720 CA LEU A 93 13.316 24.461 1.601 1.00 27.15 C ATOM 721 C LEU A 93 12.808 23.663 2.792 1.00 27.09 C ATOM 722 O LEU A 93 13.460 23.802 3.826 1.00 27.11 O ATOM 723 CB LEU A 93 14.678 23.874 1.302 1.00 29.88 C ATOM 724 CG LEU A 93 15.645 24.387 0.265 1.00 33.06 C ATOM 725 CD1 LEU A 93 15.043 24.330 -1.126 1.00 35.21 C ATOM 726 CD2 LEU A 93 16.159 25.780 0.574 1.00 35.16 C ATOM 727 N VAL A 94 11.747 22.886 2.630 1.00 26.21 N ATOM 728 CA VAL A 94 11.307 22.154 3.844 1.00 25.73 C ATOM 729 C VAL A 94 11.972 20.785 3.802 1.00 25.49 C ATOM 730 O VAL A 94 11.694 20.071 2.836 1.00 26.88 O ATOM 731 CB VAL A 94 9.790 22.037 3.908 1.00 26.19 C ATOM 732 CG1 VAL A 94 9.326 21.251 5.126 1.00 26.65 C ATOM 733 CG2 VAL A 94 9.137 23.415 3.909 1.00 26.95 C ATOM 734 N LEU A 95 12.863 20.497 4.703 1.00 24.19 N ATOM 735 CA LEU A 95 13.540 19.212 4.748 1.00 26.88 C ATOM 736 C LEU A 95 12.643 18.101 5.314 1.00 27.57 C ATOM 737 O LEU A 95 12.668 16.985 4.790 1.00 26.64 O ATOM 738 CB LEU A 95 14.785 19.235 5.634 1.00 27.41 C ATOM 739 CG LEU A 95 15.841 20.297 5.360 1.00 30.87 C ATOM 740 CD1 LEU A 95 17.128 19.930 6.108 1.00 32.19 C ATOM 741 CD2 LEU A 95 16.132 20.503 3.887 1.00 31.49 C ATOM 742 N ASP A 96 11.985 18.391 6.435 1.00 26.63 N ATOM 743 CA ASP A 96 11.137 17.363 7.055 1.00 27.97 C ATOM 744 C ASP A 96 10.217 17.957 8.108 1.00 27.94 C ATOM 745 O ASP A 96 10.574 18.997 8.678 1.00 27.05 O ATOM 746 CB ASP A 96 12.056 16.382 7.790 1.00 29.95 C ATOM 747 CG ASP A 96 11.424 15.098 8.274 1.00 33.13 C ATOM 748 OD1 ASP A 96 10.348 14.663 7.833 1.00 34.43 O ATOM 749 OD2 ASP A 96 12.046 14.496 9.171 1.00 36.24 O ATOM 750 N THR A 97 9.079 17.308 8.356 1.00 26.11 N ATOM 751 CA THR A 97 8.190 17.749 9.417 1.00 26.29 C ATOM 752 C THR A 97 7.238 16.608 9.797 1.00 28.11 C ATOM 753 O THR A 97 6.871 15.847 8.900 1.00 29.03 O ATOM 754 CB THR A 97 7.365 18.979 9.032 1.00 23.38 C ATOM 755 OG1 THR A 97 6.564 19.471 10.126 1.00 23.35 O ATOM 756 CG2 THR A 97 6.500 18.678 7.813 1.00 25.52 C ATOM 757 N ASP A 98 6.766 16.598 11.029 1.00 28.94 N ATOM 758 CA ASP A 98 5.717 15.607 11.337 1.00 31.13 C ATOM 759 C ASP A 98 4.454 16.392 11.593 1.00 31.37 C ATOM 760 O ASP A 98 3.445 15.939 12.133 1.00 32.45 O ATOM 761 CB ASP A 98 6.141 14.723 12.487 1.00 32.07 C ATOM 762 CG ASP A 98 6.256 15.467 13.791 1.00 32.99 C ATOM 763 OD1 ASP A 98 6.215 16.721 13.840 1.00 33.80 O ATOM 764 OD2 ASP A 98 6.416 14.751 14.793 1.00 34.23 O ATOM 765 N TYR A 99 4.444 17.688 11.261 1.00 28.81 N ATOM 766 CA TYR A 99 3.387 18.635 11.453 1.00 29.22 C ATOM 767 C TYR A 99 2.969 18.921 12.895 1.00 28.69 C ATOM 768 O TYR A 99 2.619 20.071 13.189 1.00 28.28 O ATOM 769 CB TYR A 99 2.102 18.304 10.644 1.00 30.51 C ATOM 770 CG TYR A 99 2.373 17.982 9.182 1.00 31.52 C ATOM 771 CD1 TYR A 99 2.690 18.964 8.253 1.00 31.01 C ATOM 772 CD2 TYR A 99 2.341 16.660 8.755 1.00 31.31 C ATOM 773 CE1 TYR A 99 2.944 18.628 6.938 1.00 30.71 C ATOM 774 CE2 TYR A 99 2.585 16.312 7.442 1.00 31.17 C ATOM 775 CZ TYR A 99 2.896 17.304 6.536 1.00 32.06 C ATOM 776 OH TYR A 99 3.140 16.969 5.223 1.00 31.21 O ATOM 777 N LYS A 100 3.040 18.007 13.846 1.00 29.21 N ATOM 778 CA LYS A 100 2.541 18.248 15.181 1.00 30.82 C ATOM 779 C LYS A 100 3.640 18.486 16.197 1.00 30.88 C ATOM 780 O LYS A 100 3.331 18.923 17.300 1.00 27.59 O ATOM 781 CB LYS A 100 1.632 17.081 15.590 1.00 35.19 C ATOM 782 CG LYS A 100 2.366 15.928 16.234 1.00 40.47 C ATOM 783 CD LYS A 100 2.981 14.949 15.254 1.00 44.67 C ATOM 784 CE LYS A 100 3.611 13.780 16.016 1.00 47.25 C ATOM 785 NZ LYS A 100 2.783 13.406 17.201 1.00 49.79 N ATOM 786 N LYS A 101 4.894 18.263 15.801 1.00 29.20 N ATOM 787 CA LYS A 101 5.966 18.497 16.737 1.00 29.44 C ATOM 788 C LYS A 101 7.118 19.336 16.201 1.00 26.43 C ATOM 789 O LYS A 101 7.534 20.258 16.889 1.00 24.64 O ATOM 790 CB LYS A 101 6.587 17.125 17.127 1.00 32.56 C ATOM 791 CG LYS A 101 7.539 17.285 18.304 1.00 36.24 C ATOM 792 CD LYS A 101 7.387 16.126 19.281 1.00 40.48 C ATOM 793 CE LYS A 101 7.728 14.788 18.661 1.00 42.45 C ATOM 794 NZ LYS A 101 8.246 13.864 19.728 1.00 45.96 N ATOM 795 N TYR A 102 7.661 18.886 15.059 1.00 24.69 N ATOM 796 CA TYR A 102 8.843 19.646 14.599 1.00 24.73 C ATOM 797 C TYR A 102 8.760 19.978 13.125 1.00 21.70 C ATOM 798 O TYR A 102 8.027 19.368 12.346 1.00 23.02 O ATOM 799 CB TYR A 102 10.107 18.819 14.902 1.00 25.23 C ATOM 800 CG TYR A 102 10.211 17.584 14.038 1.00 26.92 C ATOM 801 CD1 TYR A 102 9.578 16.398 14.412 1.00 28.90 C ATOM 802 CD2 TYR A 102 10.944 17.601 12.856 1.00 27.20 C ATOM 803 CE1 TYR A 102 9.649 15.275 13.603 1.00 29.37 C ATOM 804 CE2 TYR A 102 11.037 16.476 12.069 1.00 29.22 C ATOM 805 CZ TYR A 102 10.372 15.320 12.444 1.00 29.76 C ATOM 806 OH TYR A 102 10.472 14.224 11.627 1.00 31.41 O ATOM 807 N LEU A 103 9.633 20.876 12.684 1.00 21.39 N ATOM 808 CA LEU A 103 9.756 21.258 11.286 1.00 21.36 C ATOM 809 C LEU A 103 11.204 21.732 11.069 1.00 20.97 C ATOM 810 O LEU A 103 11.732 22.523 11.837 1.00 20.06 O ATOM 811 CB LEU A 103 8.736 22.307 10.887 1.00 23.04 C ATOM 812 CG LEU A 103 8.684 22.735 9.413 1.00 25.29 C ATOM 813 CD1 LEU A 103 7.321 23.388 9.170 1.00 26.56 C ATOM 814 CD2 LEU A 103 9.757 23.743 9.075 1.00 27.62 C ATOM 815 N LEU A 104 11.865 21.129 10.107 1.00 20.85 N ATOM 816 CA LEU A 104 13.231 21.448 9.722 1.00 22.21 C ATOM 817 C LEU A 104 13.181 22.177 8.387 1.00 22.43 C ATOM 818 O LEU A 104 12.608 21.674 7.422 1.00 21.17 O ATOM 819 CB LEU A 104 14.053 20.161 9.558 1.00 23.21 C ATOM 820 CG LEU A 104 14.000 19.183 10.741 1.00 23.83 C ATOM 821 CD1 LEU A 104 14.955 18.025 10.447 1.00 25.17 C ATOM 822 CD2 LEU A 104 14.350 19.830 12.079 1.00 22.33 C ATOM 823 N PHE A 105 13.815 23.337 8.323 1.00 23.57 N ATOM 824 CA PHE A 105 13.846 24.037 7.035 1.00 26.67 C ATOM 825 C PHE A 105 15.156 24.818 6.900 1.00 26.90 C ATOM 826 O PHE A 105 15.731 25.174 7.931 1.00 25.17 O ATOM 827 CB PHE A 105 12.636 24.953 6.890 1.00 28.64 C ATOM 828 CG PHE A 105 12.793 26.310 7.513 1.00 30.05 C ATOM 829 CD1 PHE A 105 13.425 27.326 6.785 1.00 30.83 C ATOM 830 CD2 PHE A 105 12.353 26.598 8.776 1.00 29.25 C ATOM 831 CE1 PHE A 105 13.617 28.580 7.328 1.00 30.88 C ATOM 832 CE2 PHE A 105 12.511 27.865 9.301 1.00 30.18 C ATOM 833 CZ PHE A 105 13.138 28.861 8.593 1.00 30.64 C ATOM 834 N CYS A 106 15.532 25.090 5.654 1.00 27.04 N ATOM 835 CA CYS A 106 16.711 25.880 5.347 1.00 27.77 C ATOM 836 C CYS A 106 16.308 27.055 4.435 1.00 29.19 C ATOM 837 O CYS A 106 15.320 26.996 3.705 1.00 27.91 O ATOM 838 CB CYS A 106 17.778 25.062 4.611 1.00 27.02 C ATOM 839 SG CYS A 106 18.356 23.604 5.543 1.00 28.10 S ATOM 840 N MET A 107 17.056 28.129 4.512 1.00 31.20 N ATOM 841 CA MET A 107 16.959 29.287 3.649 1.00 33.81 C ATOM 842 C MET A 107 18.308 29.319 2.909 1.00 34.58 C ATOM 843 O MET A 107 19.391 29.176 3.487 1.00 32.08 O ATOM 844 CB MET A 107 16.742 30.604 4.364 1.00 35.80 C ATOM 845 CG MET A 107 15.341 30.710 4.957 1.00 39.35 C ATOM 846 SD MET A 107 15.089 32.372 5.615 1.00 43.23 S ATOM 847 CE MET A 107 14.459 31.946 7.234 1.00 43.09 C ATOM 848 N GLU A 108 18.212 29.428 1.606 1.00 36.61 N ATOM 849 CA GLU A 108 19.425 29.417 0.783 1.00 41.38 C ATOM 850 C GLU A 108 19.546 30.777 0.113 1.00 44.12 C ATOM 851 O GLU A 108 18.528 31.298 -0.323 1.00 39.50 O ATOM 852 CB GLU A 108 19.267 28.297 -0.224 1.00 41.81 C ATOM 853 CG GLU A 108 20.453 27.822 -1.000 1.00 44.98 C ATOM 854 CD GLU A 108 20.053 27.160 -2.309 1.00 47.05 C ATOM 855 OE1 GLU A 108 19.572 27.889 -3.200 1.00 48.55 O ATOM 856 OE2 GLU A 108 20.204 25.932 -2.446 1.00 48.28 O ATOM 857 N ASN A 109 20.746 31.348 0.068 1.00 50.90 N ATOM 858 CA ASN A 109 20.868 32.612 -0.676 1.00 57.78 C ATOM 859 C ASN A 109 21.086 32.150 -2.123 1.00 61.18 C ATOM 860 O ASN A 109 22.158 31.700 -2.505 1.00 61.36 O ATOM 861 CB ASN A 109 21.925 33.584 -0.195 1.00 59.41 C ATOM 862 CG ASN A 109 21.685 33.979 1.254 1.00 61.28 C ATOM 863 OD1 ASN A 109 22.070 33.193 2.126 1.00 63.11 O ATOM 864 ND2 ASN A 109 21.076 35.124 1.517 1.00 61.17 N ATOM 865 N SER A 110 19.976 32.155 -2.847 1.00 66.04 N ATOM 866 CA SER A 110 19.953 31.724 -4.232 1.00 71.06 C ATOM 867 C SER A 110 20.901 32.590 -5.055 1.00 74.44 C ATOM 868 O SER A 110 20.865 33.807 -5.127 1.00 75.32 O ATOM 869 CB SER A 110 18.525 31.775 -4.785 1.00 71.13 C ATOM 870 OG SER A 110 17.602 31.258 -3.839 1.00 70.67 O ATOM 871 N ALA A 111 21.820 31.912 -5.682 1.00 78.49 N ATOM 872 CA ALA A 111 22.882 32.342 -6.568 1.00 82.39 C ATOM 873 C ALA A 111 23.341 30.992 -7.150 1.00 84.97 C ATOM 874 O ALA A 111 23.571 30.734 -8.313 1.00 85.81 O ATOM 875 CB ALA A 111 23.995 33.072 -5.858 1.00 82.56 C ATOM 876 N GLU A 112 23.256 30.028 -6.252 1.00 87.80 N ATOM 877 CA GLU A 112 23.490 28.616 -6.322 1.00 89.94 C ATOM 878 C GLU A 112 24.356 28.208 -5.115 1.00 90.23 C ATOM 879 O GLU A 112 24.220 28.840 -4.062 1.00 90.64 O ATOM 880 CB GLU A 112 24.068 28.034 -7.597 1.00 91.18 C ATOM 881 CG GLU A 112 23.137 27.717 -8.743 1.00 92.56 C ATOM 882 CD GLU A 112 21.700 27.385 -8.412 1.00 93.24 C ATOM 883 OE1 GLU A 112 21.421 26.667 -7.427 1.00 93.35 O ATOM 884 OE2 GLU A 112 20.800 27.850 -9.152 1.00 93.40 O ATOM 885 N GLN A 115 25.515 26.427 -1.480 1.00 63.22 N ATOM 886 CA GLN A 115 26.560 27.390 -1.181 1.00 61.80 C ATOM 887 C GLN A 115 26.373 28.044 0.190 1.00 59.25 C ATOM 888 O GLN A 115 27.150 27.861 1.122 1.00 60.29 O ATOM 889 CB GLN A 115 26.579 28.544 -2.189 1.00 63.49 C ATOM 890 CG GLN A 115 27.617 28.555 -3.268 1.00 65.83 C ATOM 891 CD GLN A 115 28.819 29.441 -3.009 1.00 66.93 C ATOM 892 OE1 GLN A 115 29.375 29.482 -1.907 1.00 67.60 O ATOM 893 NE2 GLN A 115 29.233 30.155 -4.057 1.00 67.19 N ATOM 894 N SER A 116 25.349 28.889 0.227 1.00 54.44 N ATOM 895 CA SER A 116 25.057 29.708 1.396 1.00 49.25 C ATOM 896 C SER A 116 23.668 29.344 1.920 1.00 45.23 C ATOM 897 O SER A 116 22.626 29.659 1.362 1.00 43.92 O ATOM 898 CB SER A 116 25.159 31.175 1.003 1.00 49.40 C ATOM 899 OG SER A 116 25.108 31.997 2.147 1.00 49.89 O ATOM 900 N LEU A 117 23.715 28.684 3.063 1.00 39.31 N ATOM 901 CA LEU A 117 22.556 28.069 3.675 1.00 34.01 C ATOM 902 C LEU A 117 22.437 28.302 5.156 1.00 30.51 C ATOM 903 O LEU A 117 23.433 28.299 5.900 1.00 27.56 O ATOM 904 CB LEU A 117 22.873 26.591 3.411 1.00 35.86 C ATOM 905 CG LEU A 117 21.825 25.510 3.376 1.00 38.20 C ATOM 906 CD1 LEU A 117 20.682 25.886 2.456 1.00 38.22 C ATOM 907 CD2 LEU A 117 22.536 24.237 2.880 1.00 39.74 C ATOM 908 N VAL A 118 21.237 28.591 5.618 1.00 26.36 N ATOM 909 CA VAL A 118 20.952 28.752 7.033 1.00 25.12 C ATOM 910 C VAL A 118 19.754 27.827 7.313 1.00 25.93 C ATOM 911 O VAL A 118 18.716 28.004 6.645 1.00 24.49 O ATOM 912 CB VAL A 118 20.624 30.199 7.411 1.00 25.44 C ATOM 913 CG1 VAL A 118 20.044 30.338 8.812 1.00 26.04 C ATOM 914 CG2 VAL A 118 21.855 31.079 7.215 1.00 26.62 C ATOM 915 N CYS A 119 19.934 26.918 8.271 1.00 23.51 N ATOM 916 CA CYS A 119 18.790 26.012 8.513 1.00 24.55 C ATOM 917 C CYS A 119 18.319 26.160 9.929 1.00 22.11 C ATOM 918 O CYS A 119 19.082 26.536 10.838 1.00 22.21 O ATOM 919 CB CYS A 119 19.184 24.532 8.253 1.00 23.63 C ATOM 920 SG CYS A 119 19.920 24.291 6.628 1.00 25.16 S ATOM 921 N GLN A 120 17.043 25.881 10.196 1.00 22.21 N ATOM 922 CA GLN A 120 16.545 25.919 11.548 1.00 21.73 C ATOM 923 C GLN A 120 15.713 24.654 11.879 1.00 21.03 C ATOM 924 O GLN A 120 15.134 24.034 10.998 1.00 21.10 O ATOM 925 CB GLN A 120 15.574 27.043 11.895 1.00 22.26 C ATOM 926 CG GLN A 120 15.964 28.365 11.298 1.00 26.16 C ATOM 927 CD GLN A 120 15.262 29.521 11.973 1.00 25.37 C ATOM 928 OE1 GLN A 120 14.426 29.306 12.838 1.00 24.64 O ATOM 929 NE2 GLN A 120 15.654 30.690 11.500 1.00 26.69 N ATOM 930 N CYS A 121 15.659 24.439 13.174 1.00 20.60 N ATOM 931 CA CYS A 121 14.840 23.360 13.739 1.00 20.66 C ATOM 932 C CYS A 121 13.712 24.071 14.519 1.00 21.31 C ATOM 933 O CYS A 121 13.949 24.826 15.463 1.00 20.61 O ATOM 934 CB CYS A 121 15.630 22.457 14.667 1.00 21.73 C ATOM 935 SG CYS A 121 14.616 21.372 15.688 1.00 22.62 S ATOM 936 N LEU A 122 12.480 23.885 14.048 1.00 20.15 N ATOM 937 CA LEU A 122 11.320 24.503 14.670 1.00 19.64 C ATOM 938 C LEU A 122 10.551 23.476 15.489 1.00 20.07 C ATOM 939 O LEU A 122 10.428 22.324 15.099 1.00 21.09 O ATOM 940 CB LEU A 122 10.329 25.116 13.668 1.00 20.04 C ATOM 941 CG LEU A 122 10.876 26.101 12.645 1.00 20.88 C ATOM 942 CD1 LEU A 122 9.777 26.705 11.759 1.00 21.98 C ATOM 943 CD2 LEU A 122 11.696 27.213 13.284 1.00 21.77 C ATOM 944 N VAL A 123 9.948 23.898 16.598 1.00 20.91 N ATOM 945 CA VAL A 123 9.105 22.990 17.366 1.00 22.49 C ATOM 946 C VAL A 123 7.809 23.729 17.709 1.00 22.90 C ATOM 947 O VAL A 123 7.746 24.955 17.747 1.00 22.24 O ATOM 948 CB VAL A 123 9.690 22.416 18.661 1.00 23.66 C ATOM 949 CG1 VAL A 123 10.827 21.448 18.364 1.00 22.80 C ATOM 950 CG2 VAL A 123 10.087 23.553 19.598 1.00 22.85 C ATOM 951 N ARG A 124 6.763 22.945 17.854 1.00 24.21 N ATOM 952 CA ARG A 124 5.422 23.462 18.130 1.00 28.59 C ATOM 953 C ARG A 124 5.276 24.099 19.496 1.00 29.87 C ATOM 954 O ARG A 124 4.602 25.116 19.712 1.00 29.35 O ATOM 955 CB ARG A 124 4.398 22.315 17.986 1.00 26.66 C ATOM 956 CG ARG A 124 4.053 22.028 16.536 1.00 26.84 C ATOM 957 CD ARG A 124 3.406 23.253 15.862 1.00 24.49 C ATOM 958 NE ARG A 124 2.696 22.791 14.667 1.00 25.45 N ATOM 959 CZ ARG A 124 1.886 23.495 13.889 1.00 26.13 C ATOM 960 NH1 ARG A 124 1.635 24.775 14.163 1.00 24.69 N ATOM 961 NH2 ARG A 124 1.308 22.942 12.811 1.00 27.15 N ATOM 962 N THR A 125 5.864 23.449 20.495 1.00 30.80 N ATOM 963 CA THR A 125 5.837 23.976 21.853 1.00 34.74 C ATOM 964 C THR A 125 7.214 23.681 22.444 1.00 37.30 C ATOM 965 O THR A 125 7.870 22.727 22.013 1.00 37.53 O ATOM 966 CB THR A 125 4.791 23.308 22.771 1.00 35.24 C ATOM 967 OG1 THR A 125 5.289 21.995 23.092 1.00 35.61 O ATOM 968 CG2 THR A 125 3.394 23.189 22.205 1.00 34.67 C ATOM 969 N PRO A 126 7.627 24.419 23.451 1.00 41.07 N ATOM 970 CA PRO A 126 8.911 24.177 24.090 1.00 44.71 C ATOM 971 C PRO A 126 9.050 22.997 25.033 1.00 47.69 C ATOM 972 O PRO A 126 9.657 23.111 26.103 1.00 47.87 O ATOM 973 CB PRO A 126 9.195 25.506 24.765 1.00 43.78 C ATOM 974 CG PRO A 126 7.884 26.168 24.986 1.00 43.65 C ATOM 975 CD PRO A 126 6.913 25.592 23.997 1.00 42.70 C ATOM 976 N GLU A 127 8.691 21.781 24.696 1.00 51.99 N ATOM 977 CA GLU A 127 8.795 20.520 25.384 1.00 55.43 C ATOM 978 C GLU A 127 10.172 19.964 25.739 1.00 56.01 C ATOM 979 O GLU A 127 11.152 20.243 25.040 1.00 56.19 O ATOM 980 CB GLU A 127 8.259 19.463 24.394 1.00 58.21 C ATOM 981 CG GLU A 127 6.963 18.768 24.729 1.00 61.89 C ATOM 982 CD GLU A 127 6.922 17.442 23.977 1.00 64.29 C ATOM 983 OE1 GLU A 127 6.611 17.482 22.766 1.00 65.89 O ATOM 984 OE2 GLU A 127 7.222 16.390 24.586 1.00 65.88 O ATOM 985 N VAL A 128 10.276 18.997 26.666 1.00 55.50 N ATOM 986 CA VAL A 128 11.574 18.436 27.010 1.00 56.46 C ATOM 987 C VAL A 128 12.061 17.252 26.184 1.00 56.64 C ATOM 988 O VAL A 128 13.035 16.598 26.598 1.00 57.67 O ATOM 989 CB VAL A 128 11.710 18.030 28.500 1.00 56.27 C ATOM 990 CG1 VAL A 128 11.358 19.208 29.398 1.00 56.48 C ATOM 991 CG2 VAL A 128 10.905 16.787 28.826 1.00 56.34 C ATOM 992 N ASP A 129 11.440 16.944 25.061 1.00 55.30 N ATOM 993 CA ASP A 129 11.857 15.804 24.229 1.00 53.40 C ATOM 994 C ASP A 129 12.939 16.285 23.274 1.00 50.94 C ATOM 995 O ASP A 129 12.918 17.466 22.908 1.00 50.39 O ATOM 996 CB ASP A 129 10.604 15.230 23.584 1.00 55.66 C ATOM 997 CG ASP A 129 10.709 14.387 22.340 1.00 57.50 C ATOM 998 OD1 ASP A 129 11.316 13.290 22.355 1.00 58.88 O ATOM 999 OD2 ASP A 129 10.167 14.793 21.283 1.00 57.63 O ATOM 1000 N ASP A 130 13.915 15.448 22.903 1.00 47.37 N ATOM 1001 CA ASP A 130 14.944 15.956 21.990 1.00 44.02 C ATOM 1002 C ASP A 130 14.895 15.255 20.642 1.00 41.28 C ATOM 1003 O ASP A 130 15.902 15.234 19.946 1.00 41.68 O ATOM 1004 CB ASP A 130 16.327 15.939 22.630 1.00 45.10 C ATOM 1005 CG ASP A 130 16.880 14.554 22.920 1.00 45.73 C ATOM 1006 OD1 ASP A 130 16.120 13.583 22.710 1.00 44.25 O ATOM 1007 OD2 ASP A 130 18.064 14.459 23.324 1.00 45.07 O ATOM 1008 N GLU A 131 13.745 14.765 20.215 1.00 38.33 N ATOM 1009 CA GLU A 131 13.572 14.151 18.906 1.00 38.36 C ATOM 1010 C GLU A 131 13.823 15.185 17.804 1.00 34.72 C ATOM 1011 O GLU A 131 14.461 14.850 16.795 1.00 34.11 O ATOM 1012 CB GLU A 131 12.164 13.547 18.691 1.00 40.57 C ATOM 1013 CG GLU A 131 11.838 13.325 17.217 1.00 43.90 C ATOM 1014 CD GLU A 131 10.581 12.564 16.908 1.00 47.05 C ATOM 1015 OE1 GLU A 131 9.608 12.647 17.685 1.00 49.31 O ATOM 1016 OE2 GLU A 131 10.521 11.852 15.879 1.00 47.66 O ATOM 1017 N ALA A 132 13.295 16.407 17.974 1.00 31.83 N ATOM 1018 CA ALA A 132 13.545 17.420 16.927 1.00 30.24 C ATOM 1019 C ALA A 132 15.024 17.775 16.835 1.00 28.03 C ATOM 1020 O ALA A 132 15.561 17.877 15.719 1.00 31.12 O ATOM 1021 CB ALA A 132 12.720 18.679 17.146 1.00 28.82 C ATOM 1022 N LEU A 133 15.726 17.886 17.955 1.00 27.17 N ATOM 1023 CA LEU A 133 17.145 18.185 17.917 1.00 28.04 C ATOM 1024 C LEU A 133 17.949 17.072 17.256 1.00 29.24 C ATOM 1025 O LEU A 133 18.892 17.393 16.546 1.00 27.32 O ATOM 1026 CB LEU A 133 17.743 18.507 19.278 1.00 28.44 C ATOM 1027 CG LEU A 133 17.265 19.851 19.832 1.00 29.80 C ATOM 1028 CD1 LEU A 133 17.777 20.095 21.233 1.00 30.49 C ATOM 1029 CD2 LEU A 133 17.656 20.996 18.900 1.00 29.24 C ATOM 1030 N GLU A 134 17.559 15.837 17.501 1.00 30.76 N ATOM 1031 CA GLU A 134 18.262 14.685 16.941 1.00 34.25 C ATOM 1032 C GLU A 134 18.005 14.592 15.453 1.00 32.89 C ATOM 1033 O GLU A 134 18.916 14.412 14.660 1.00 31.63 O ATOM 1034 CB GLU A 134 17.751 13.405 17.641 1.00 38.49 C ATOM 1035 CG GLU A 134 18.254 13.367 19.089 1.00 43.89 C ATOM 1036 CD GLU A 134 19.678 12.828 19.146 1.00 47.94 C ATOM 1037 OE1 GLU A 134 19.955 11.925 18.319 1.00 50.57 O ATOM 1038 OE2 GLU A 134 20.493 13.259 19.996 1.00 49.69 O ATOM 1039 N LYS A 135 16.736 14.822 15.079 1.00 32.20 N ATOM 1040 CA LYS A 135 16.478 14.807 13.631 1.00 32.60 C ATOM 1041 C LYS A 135 17.218 15.934 12.936 1.00 29.79 C ATOM 1042 O LYS A 135 17.720 15.749 11.827 1.00 28.89 O ATOM 1043 CB LYS A 135 14.974 14.836 13.367 1.00 34.61 C ATOM 1044 CG LYS A 135 14.357 13.523 13.846 1.00 37.91 C ATOM 1045 CD LYS A 135 13.003 13.283 13.232 1.00 39.88 C ATOM 1046 CE LYS A 135 12.506 11.854 13.520 1.00 41.91 C ATOM 1047 NZ LYS A 135 11.013 11.840 13.428 1.00 43.40 N ATOM 1048 N PHE A 136 17.329 17.110 13.545 1.00 29.96 N ATOM 1049 CA PHE A 136 18.035 18.242 12.905 1.00 29.73 C ATOM 1050 C PHE A 136 19.501 17.880 12.694 1.00 31.34 C ATOM 1051 O PHE A 136 20.204 18.110 11.720 1.00 28.65 O ATOM 1052 CB PHE A 136 17.878 19.450 13.815 1.00 27.92 C ATOM 1053 CG PHE A 136 18.439 20.768 13.383 1.00 27.72 C ATOM 1054 CD1 PHE A 136 18.032 21.361 12.203 1.00 28.99 C ATOM 1055 CD2 PHE A 136 19.310 21.448 14.207 1.00 26.22 C ATOM 1056 CE1 PHE A 136 18.539 22.623 11.840 1.00 28.88 C ATOM 1057 CE2 PHE A 136 19.821 22.687 13.840 1.00 28.38 C ATOM 1058 CZ PHE A 136 19.425 23.280 12.663 1.00 26.48 C ATOM 1059 N ASP A 137 20.061 17.316 13.782 1.00 33.53 N ATOM 1060 CA ASP A 137 21.420 16.838 13.821 1.00 37.40 C ATOM 1061 C ASP A 137 21.706 15.835 12.701 1.00 36.72 C ATOM 1062 O ASP A 137 22.716 15.931 12.019 1.00 33.97 O ATOM 1063 CB ASP A 137 21.655 16.022 15.102 1.00 42.10 C ATOM 1064 CG ASP A 137 22.851 16.665 15.792 1.00 45.17 C ATOM 1065 OD1 ASP A 137 22.521 17.715 16.357 1.00 45.99 O ATOM 1066 OD2 ASP A 137 23.972 16.135 15.752 1.00 48.19 O ATOM 1067 N LYS A 138 20.787 14.887 12.586 1.00 38.27 N ATOM 1068 CA LYS A 138 20.915 13.848 11.560 1.00 41.03 C ATOM 1069 C LYS A 138 20.781 14.474 10.184 1.00 40.02 C ATOM 1070 O LYS A 138 21.630 14.254 9.315 1.00 39.24 O ATOM 1071 CB LYS A 138 19.886 12.749 11.804 1.00 43.78 C ATOM 1072 CG LYS A 138 19.787 11.681 10.730 1.00 47.70 C ATOM 1073 CD LYS A 138 18.919 10.515 11.225 1.00 49.94 C ATOM 1074 CE LYS A 138 18.439 9.639 10.076 1.00 51.69 C ATOM 1075 NZ LYS A 138 17.396 8.654 10.513 1.00 52.47 N ATOM 1076 N ALA A 139 19.765 15.307 9.961 1.00 37.32 N ATOM 1077 CA ALA A 139 19.619 15.976 8.682 1.00 36.47 C ATOM 1078 C ALA A 139 20.787 16.907 8.385 1.00 37.05 C ATOM 1079 O ALA A 139 20.936 17.170 7.191 1.00 39.15 O ATOM 1080 CB ALA A 139 18.329 16.780 8.591 1.00 35.99 C ATOM 1081 N LEU A 140 21.552 17.487 9.285 1.00 35.65 N ATOM 1082 CA LEU A 140 22.648 18.371 8.952 1.00 36.82 C ATOM 1083 C LEU A 140 23.998 17.646 8.796 1.00 37.51 C ATOM 1084 O LEU A 140 24.966 18.306 8.414 1.00 35.57 O ATOM 1085 CB LEU A 140 22.833 19.483 9.980 1.00 36.44 C ATOM 1086 CG LEU A 140 21.699 20.498 10.175 1.00 37.37 C ATOM 1087 CD1 LEU A 140 22.162 21.633 11.053 1.00 36.29 C ATOM 1088 CD2 LEU A 140 21.212 21.152 8.889 1.00 37.01 C ATOM 1089 N LYS A 141 24.028 16.329 8.983 1.00 38.41 N ATOM 1090 CA LYS A 141 25.233 15.528 8.804 1.00 41.18 C ATOM 1091 C LYS A 141 25.776 15.629 7.383 1.00 39.89 C ATOM 1092 O LYS A 141 26.988 15.715 7.161 1.00 41.32 O ATOM 1093 CB LYS A 141 24.964 14.062 9.169 1.00 43.45 C ATOM 1094 CG LYS A 141 24.273 13.203 8.141 1.00 47.60 C ATOM 1095 CD LYS A 141 23.501 12.001 8.629 1.00 50.03 C ATOM 1096 CE LYS A 141 24.180 11.197 9.724 1.00 52.07 C ATOM 1097 NZ LYS A 141 23.883 11.760 11.077 1.00 54.26 N ATOM 1098 N ALA A 142 24.900 15.729 6.391 1.00 39.28 N ATOM 1099 CA ALA A 142 25.250 15.852 4.999 1.00 38.90 C ATOM 1100 C ALA A 142 25.674 17.232 4.521 1.00 39.84 C ATOM 1101 O ALA A 142 26.100 17.357 3.362 1.00 39.93 O ATOM 1102 CB ALA A 142 24.047 15.427 4.156 1.00 38.74 C ATOM 1103 N LEU A 143 25.505 18.278 5.321 1.00 38.64 N ATOM 1104 CA LEU A 143 25.791 19.635 4.884 1.00 37.03 C ATOM 1105 C LEU A 143 27.024 20.185 5.566 1.00 38.19 C ATOM 1106 O LEU A 143 27.342 19.760 6.664 1.00 37.47 O ATOM 1107 CB LEU A 143 24.584 20.540 5.210 1.00 37.03 C ATOM 1108 CG LEU A 143 23.239 20.009 4.716 1.00 36.71 C ATOM 1109 CD1 LEU A 143 22.091 20.912 5.119 1.00 36.56 C ATOM 1110 CD2 LEU A 143 23.279 19.856 3.200 1.00 37.98 C ATOM 1111 N PRO A 144 27.716 21.096 4.906 1.00 39.99 N ATOM 1112 CA PRO A 144 28.913 21.723 5.441 1.00 40.52 C ATOM 1113 C PRO A 144 28.589 22.953 6.280 1.00 40.02 C ATOM 1114 O PRO A 144 28.731 24.095 5.858 1.00 40.09 O ATOM 1115 CB PRO A 144 29.663 22.071 4.148 1.00 40.82 C ATOM 1116 CG PRO A 144 28.598 22.405 3.169 1.00 40.44 C ATOM 1117 CD PRO A 144 27.372 21.623 3.559 1.00 40.29 C ATOM 1118 N MET A 145 28.160 22.752 7.520 1.00 39.36 N ATOM 1119 CA MET A 145 27.824 23.830 8.441 1.00 38.43 C ATOM 1120 C MET A 145 29.035 24.291 9.251 1.00 37.99 C ATOM 1121 O MET A 145 29.765 23.414 9.738 1.00 40.04 O ATOM 1122 CB MET A 145 26.741 23.301 9.387 1.00 37.50 C ATOM 1123 CG MET A 145 25.450 22.895 8.699 1.00 38.33 C ATOM 1124 SD MET A 145 24.587 24.322 8.000 1.00 38.41 S ATOM 1125 CE MET A 145 24.884 24.071 6.270 1.00 38.57 C ATOM 1126 N HIS A 146 29.241 25.572 9.471 1.00 35.26 N ATOM 1127 CA HIS A 146 30.386 26.055 10.222 1.00 36.42 C ATOM 1128 C HIS A 146 30.037 26.728 11.552 1.00 35.27 C ATOM 1129 O HIS A 146 30.928 27.127 12.313 1.00 32.24 O ATOM 1130 CB HIS A 146 31.224 27.074 9.411 1.00 38.79 C ATOM 1131 CG HIS A 146 32.015 26.373 8.341 1.00 42.06 C ATOM 1132 ND1 HIS A 146 32.804 25.280 8.642 1.00 44.07 N ATOM 1133 CD2 HIS A 146 32.157 26.568 7.017 1.00 42.55 C ATOM 1134 CE1 HIS A 146 33.381 24.825 7.543 1.00 44.39 C ATOM 1135 NE2 HIS A 146 33.000 25.602 6.541 1.00 43.99 N ATOM 1136 N ILE A 147 28.734 26.843 11.810 1.00 32.16 N ATOM 1137 CA ILE A 147 28.269 27.440 13.056 1.00 29.27 C ATOM 1138 C ILE A 147 26.945 26.756 13.410 1.00 28.92 C ATOM 1139 O ILE A 147 26.089 26.563 12.552 1.00 26.90 O ATOM 1140 CB ILE A 147 28.107 28.964 13.020 1.00 28.85 C ATOM 1141 CG1 ILE A 147 27.596 29.508 14.355 1.00 26.97 C ATOM 1142 CG2 ILE A 147 27.172 29.399 11.897 1.00 28.82 C ATOM 1143 CD1 ILE A 147 27.829 30.981 14.599 1.00 28.23 C ATOM 1144 N ARG A 148 26.850 26.369 14.662 1.00 29.40 N ATOM 1145 CA ARG A 148 25.626 25.753 15.177 1.00 32.60 C ATOM 1146 C ARG A 148 25.213 26.381 16.504 1.00 30.78 C ATOM 1147 O ARG A 148 26.061 26.492 17.394 1.00 29.03 O ATOM 1148 CB ARG A 148 25.978 24.286 15.323 1.00 37.22 C ATOM 1149 CG ARG A 148 24.855 23.511 15.968 1.00 44.19 C ATOM 1150 CD ARG A 148 24.899 22.163 15.232 1.00 49.49 C ATOM 1151 NE ARG A 148 23.576 21.566 15.425 1.00 53.14 N ATOM 1152 CZ ARG A 148 23.483 20.247 15.500 1.00 55.71 C ATOM 1153 NH1 ARG A 148 24.551 19.475 15.382 1.00 57.17 N ATOM 1154 NH2 ARG A 148 22.260 19.777 15.668 1.00 56.46 N ATOM 1155 N LEU A 149 23.969 26.785 16.649 1.00 28.88 N ATOM 1156 CA LEU A 149 23.394 27.446 17.805 1.00 29.53 C ATOM 1157 C LEU A 149 22.179 26.669 18.351 1.00 30.90 C ATOM 1158 O LEU A 149 21.333 26.271 17.534 1.00 25.24 O ATOM 1159 CB LEU A 149 22.778 28.806 17.402 1.00 32.30 C ATOM 1160 CG LEU A 149 23.536 30.106 17.357 1.00 35.41 C ATOM 1161 CD1 LEU A 149 24.855 29.990 16.609 1.00 36.71 C ATOM 1162 CD2 LEU A 149 22.752 31.292 16.798 1.00 37.39 C ATOM 1163 N SER A 150 22.054 26.560 19.650 1.00 30.87 N ATOM 1164 CA SER A 150 20.939 25.918 20.317 1.00 34.90 C ATOM 1165 C SER A 150 20.364 26.823 21.418 1.00 36.83 C ATOM 1166 O SER A 150 21.142 27.224 22.278 1.00 33.71 O ATOM 1167 CB SER A 150 21.302 24.629 21.085 1.00 34.79 C ATOM 1168 OG SER A 150 20.989 23.592 20.171 1.00 38.18 O ATOM 1169 N PHE A 151 19.071 27.082 21.364 1.00 40.02 N ATOM 1170 CA PHE A 151 18.508 27.931 22.385 1.00 46.60 C ATOM 1171 C PHE A 151 17.938 27.110 23.533 1.00 53.13 C ATOM 1172 O PHE A 151 17.374 26.038 23.510 1.00 51.99 O ATOM 1173 CB PHE A 151 17.381 28.879 21.887 1.00 44.85 C ATOM 1174 CG PHE A 151 17.977 29.704 20.769 1.00 45.46 C ATOM 1175 CD1 PHE A 151 18.703 30.850 21.042 1.00 44.19 C ATOM 1176 CD2 PHE A 151 17.861 29.266 19.457 1.00 45.95 C ATOM 1177 CE1 PHE A 151 19.285 31.558 20.012 1.00 44.60 C ATOM 1178 CE2 PHE A 151 18.453 29.978 18.426 1.00 45.95 C ATOM 1179 CZ PHE A 151 19.166 31.121 18.711 1.00 45.04 C ATOM 1180 N ASN A 152 18.151 27.743 24.651 1.00 60.95 N ATOM 1181 CA ASN A 152 17.501 27.657 25.962 1.00 68.93 C ATOM 1182 C ASN A 152 16.541 28.761 25.467 1.00 73.53 C ATOM 1183 O ASN A 152 17.065 29.835 25.132 1.00 74.12 O ATOM 1184 CB ASN A 152 18.530 28.024 26.993 1.00 70.24 C ATOM 1185 CG ASN A 152 18.152 28.969 28.098 1.00 71.47 C ATOM 1186 OD1 ASN A 152 16.976 29.149 28.418 1.00 71.80 O ATOM 1187 ND2 ASN A 152 19.177 29.578 28.698 1.00 71.97 N ATOM 1188 N PRO A 153 15.372 28.365 24.980 1.00 77.49 N ATOM 1189 CA PRO A 153 14.541 29.259 24.203 1.00 80.45 C ATOM 1190 C PRO A 153 14.430 30.690 24.687 1.00 82.96 C ATOM 1191 O PRO A 153 14.687 31.063 25.829 1.00 83.66 O ATOM 1192 CB PRO A 153 13.200 28.543 24.099 1.00 80.04 C ATOM 1193 CG PRO A 153 13.450 27.122 24.442 1.00 79.22 C ATOM 1194 CD PRO A 153 14.756 27.034 25.180 1.00 78.30 C ATOM 1195 N THR A 154 14.053 31.547 23.743 1.00 85.66 N ATOM 1196 CA THR A 154 13.850 32.965 24.003 1.00 88.03 C ATOM 1197 C THR A 154 12.359 33.271 23.860 1.00 88.77 C ATOM 1198 O THR A 154 11.638 32.358 23.381 1.00 89.54 O ATOM 1199 CB THR A 154 14.675 33.845 23.052 1.00 89.00 C ATOM 1200 OG1 THR A 154 15.772 33.084 22.520 1.00 89.65 O ATOM 1201 CG2 THR A 154 15.235 35.049 23.803 1.00 89.57 C TER 1202 THR A 154 HETATM 1203 O HOH A 163 1.732 25.381 18.589 1.00 32.24 O HETATM 1204 O HOH A 164 5.960 31.582 18.466 1.00 39.37 O HETATM 1205 O HOH A 165 7.915 38.783 1.123 1.00 32.57 O HETATM 1206 O HOH A 166 7.935 36.304 -2.653 1.00 37.20 O HETATM 1207 O HOH A 167 10.945 31.692 17.710 1.00 39.11 O HETATM 1208 O HOH A 168 11.301 17.156 20.156 1.00 41.78 O HETATM 1209 O HOH A 169 14.841 37.615 0.190 1.00 39.45 O HETATM 1210 O HOH A 170 17.043 31.687 8.579 1.00 49.82 O HETATM 1211 O HOH A 171 15.803 41.875 -1.055 1.00 45.33 O HETATM 1212 O HOH A 172 3.010 14.491 4.565 1.00 43.28 O HETATM 1213 O HOH A 173 -0.490 38.690 8.254 1.00 55.90 O HETATM 1214 O HOH A 174 1.532 20.867 0.034 1.00 43.82 O HETATM 1215 O HOH A 175 2.105 24.685 -2.061 1.00 35.95 O HETATM 1216 O HOH A 176 18.355 31.480 11.468 1.00 53.74 O HETATM 1217 O HOH A 177 8.116 39.390 -6.872 1.00 45.34 O HETATM 1218 O HOH A 178 19.632 52.328 21.097 1.00 58.41 O HETATM 1219 O HOH A 179 11.942 35.529 21.473 1.00 62.87 O HETATM 1220 O HOH A 180 33.997 25.519 3.506 1.00 60.19 O HETATM 1221 O HOH A 181 23.894 22.788 -0.526 1.00 51.08 O HETATM 1222 O HOH A 182 -1.524 34.282 4.994 1.00 57.04 O HETATM 1223 O HOH A 183 18.129 38.990 15.001 1.00 43.25 O HETATM 1224 O HOH A 184 -1.122 20.286 12.063 1.00 43.81 O HETATM 1225 O HOH A 185 -0.911 33.610 -1.879 1.00 56.32 O HETATM 1226 O HOH A 186 13.180 43.098 -2.054 1.00 37.20 O HETATM 1227 O HOH A 187 -4.044 25.609 6.953 1.00 56.71 O HETATM 1228 O HOH A 188 5.363 28.127 -9.754 1.00 55.20 O HETATM 1229 O HOH A 189 -5.270 28.393 4.234 1.00 59.16 O HETATM 1230 O HOH A 190 11.739 51.497 19.762 1.00 71.79 O HETATM 1231 O HOH A 191 9.022 40.882 18.643 1.00 63.11 O HETATM 1232 O HOH A 192 10.197 42.218 -0.758 1.00 33.05 O HETATM 1233 O HOH A 193 17.011 29.114 8.787 1.00 51.69 O HETATM 1234 O HOH A 194 7.856 33.061 19.246 1.00 56.47 O HETATM 1235 O HOH A 195 -0.195 12.023 17.894 1.00 67.65 O HETATM 1236 O HOH A 196 12.958 46.083 11.201 1.00 70.08 O HETATM 1237 O HOH A 197 6.208 40.656 2.382 1.00 64.91 O HETATM 1238 O HOH A 198 -1.993 20.792 0.118 1.00 61.48 O HETATM 1239 O HOH A 199 8.500 12.332 7.301 1.00 67.70 O HETATM 1240 O HOH A 200 10.108 17.976 -3.116 1.00 55.74 O HETATM 1241 O HOH A 201 3.985 30.374 -8.082 1.00 61.45 O HETATM 1242 O HOH A 202 0.926 14.083 11.576 1.00 72.91 O HETATM 1243 O HOH A 203 -2.649 24.067 -0.470 1.00 46.85 O HETATM 1244 O HOH A 204 8.391 38.773 -1.473 1.00 72.25 O HETATM 1245 O HOH A 205 9.578 19.292 21.034 1.00 58.21 O HETATM 1246 O HOH A 206 17.317 32.451 24.888 1.00 69.57 O HETATM 1247 O HOH A 207 30.332 25.833 3.329 1.00 66.78 O HETATM 1248 O HOH A 208 16.773 25.433 28.635 1.00 75.25 O HETATM 1249 O HOH A 209 5.718 13.231 7.846 1.00 57.84 O HETATM 1250 O HOH A 210 3.212 22.743 -1.015 1.00 62.16 O HETATM 1251 O HOH A 211 16.742 24.500 26.150 1.00 61.59 O HETATM 1252 O HOH A 212 26.742 16.547 17.597 1.00 90.27 O HETATM 1253 O HOH A 213 12.758 17.732 -8.504 1.00 57.87 O HETATM 1254 O HOH A 214 13.040 31.717 19.979 1.00 72.91 O HETATM 1255 O HOH A 215 13.108 37.659 20.406 1.00 80.66 O HETATM 1256 O HOH A 216 6.472 24.725 -3.853 1.00 38.87 O HETATM 1257 O HOH A 217 17.390 23.492 22.551 1.00 66.92 O HETATM 1258 O HOH A 218 -1.138 36.081 13.566 1.00 51.37 O HETATM 1259 O HOH A 219 22.788 25.279 -1.493 1.00 84.19 O HETATM 1260 O HOH A 220 24.105 43.125 9.555 1.00 82.67 O HETATM 1261 O HOH A 221 8.026 12.193 14.702 1.00 66.35 O HETATM 1262 O HOH A 222 0.784 19.938 18.519 1.00 63.32 O HETATM 1263 O HOH A 223 14.071 11.355 21.418 1.00 79.42 O HETATM 1264 O HOH A 224 10.888 31.755 26.645 1.00 75.66 O HETATM 1265 O HOH A 225 4.605 19.697 -7.843 1.00 69.91 O HETATM 1266 O HOH A 226 5.271 38.622 -2.649 1.00 75.59 O HETATM 1267 O HOH A 227 15.476 15.730 26.397 1.00 56.57 O HETATM 1268 O HOH A 228 21.046 28.706 24.759 1.00 54.39 O HETATM 1269 O HOH A 229 22.006 10.456 18.756 1.00 68.08 O HETATM 1270 O HOH A 230 18.665 44.537 -3.147 1.00 76.30 O HETATM 1271 O HOH A 231 22.801 36.270 7.406 1.00 47.21 O HETATM 1272 O HOH A 232 23.386 13.066 14.115 1.00 87.61 O HETATM 1273 O HOH A 233 22.046 25.207 -4.377 1.00 83.19 O HETATM 1274 O HOH A 234 28.648 18.536 2.894 1.00 64.49 O HETATM 1275 O HOH A 235 21.511 43.337 15.701 1.00 76.48 O HETATM 1276 O HOH A 236 20.242 29.564 -11.291 1.00 70.20 O HETATM 1277 O HOH A 237 11.263 33.891 19.814 1.00 65.22 O HETATM 1278 O HOH A 238 2.026 23.723 -6.445 1.00 66.73 O HETATM 1279 O HOH A 239 24.559 38.272 17.624 1.00 68.35 O HETATM 1280 O HOH A 240 5.588 22.557 -1.509 1.00 65.51 O HETATM 1281 O HOH A 241 1.340 26.976 1.408 1.00 71.56 O HETATM 1282 O HOH A 242 13.432 19.922 23.773 1.00 81.87 O HETATM 1283 O HOH A 243 -0.577 22.902 15.550 1.00 76.23 O HETATM 1284 O HOH A 244 6.735 17.380 -0.982 1.00 54.58 O HETATM 1285 O HOH A 245 24.355 20.894 12.693 1.00 81.90 O HETATM 1286 O HOH A 246 32.651 30.555 7.836 1.00 60.04 O HETATM 1287 O HOH A 247 20.213 30.179 -7.259 1.00 76.79 O HETATM 1288 O HOH A 248 -4.533 32.019 -0.643 1.00 76.27 O HETATM 1289 O HOH A 249 -1.278 31.084 13.373 1.00 75.26 O HETATM 1290 O HOH A 250 22.946 21.169 -4.081 1.00 71.82 O HETATM 1291 O HOH A 251 14.356 39.355 18.899 1.00 46.74 O HETATM 1292 O HOH A 252 25.086 17.107 12.561 1.00 61.30 O HETATM 1293 O HOH A 253 23.532 23.814 19.127 1.00 85.06 O HETATM 1294 O HOH A 254 19.434 30.912 24.881 1.00 65.66 O HETATM 1295 O HOH A 255 8.934 16.782 26.662 1.00 70.13 O HETATM 1296 O HOH A 256 12.608 27.757 -8.188 1.00 70.94 O HETATM 1297 O HOH A 257 1.944 32.269 16.921 1.00 82.38 O HETATM 1298 O HOH A 258 22.558 31.307 4.122 1.00 77.38 O HETATM 1299 O HOH A 259 18.713 23.533 -2.740 1.00 84.93 O HETATM 1300 O HOH A 260 18.943 27.977 -5.796 1.00 77.85 O HETATM 1301 O HOH A 261 20.620 19.641 17.468 1.00 58.94 O HETATM 1302 O HOH A 262 1.950 37.674 -2.693 1.00 65.59 O HETATM 1303 O HOH A 263 33.656 33.350 6.441 1.00 86.50 O HETATM 1304 O HOH A 264 0.117 24.531 -1.221 1.00 81.49 O HETATM 1305 O HOH A 265 23.606 8.775 8.065 1.00 78.15 O HETATM 1306 O HOH A 266 31.514 33.379 8.083 1.00 63.47 O HETATM 1307 O HOH A 267 13.496 40.832 17.406 1.00 64.29 O HETATM 1308 O HOH A 268 0.405 35.397 -3.070 1.00 81.33 O HETATM 1309 O HOH A 269 8.544 34.614 17.401 1.00 87.90 O HETATM 1310 O HOH A 270 21.011 11.573 14.425 1.00 83.38 O HETATM 1311 O HOH A 271 19.482 16.663 5.020 1.00 74.65 O HETATM 1312 O HOH A 272 21.736 20.022 13.215 1.00 85.44 O HETATM 1313 O HOH A 273 11.878 11.614 9.863 1.00 68.83 O HETATM 1314 O HOH A 274 3.861 20.410 21.682 1.00 79.49 O HETATM 1315 O HOH A 275 0.000 26.001 16.690 0.50 23.00 O CONECT 839 920 CONECT 920 839 MASTER 319 0 0 4 10 0 0 6 1314 1 2 13 END