HEADER LIGAND BINDING PROTEIN 26-JUN-07 2QEV TITLE CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE D7R4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: D7R4 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: D7-RELATED 4 PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; SOURCE 3 ORGANISM_COMMON: AFRICAN MALARIA MOSQUITO; SOURCE 4 ORGANISM_TAXID: 7165; SOURCE 5 STRAIN: G3; SOURCE 6 GENE: D7R4; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET17B KEYWDS ALL-HELICAL, ODORANT-BINDING PROTEIN, LIGAND BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.F.ANDERSEN,B.J.MANS,E.CALVO,J.M.RIBEIRO REVDAT 3 24-FEB-09 2QEV 1 VERSN REVDAT 2 15-JAN-08 2QEV 1 JRNL REVDAT 1 09-OCT-07 2QEV 0 JRNL AUTH B.J.MANS,E.CALVO,J.M.RIBEIRO,J.F.ANDERSEN JRNL TITL THE CRYSTAL STRUCTURE OF D7R4, A SALIVARY BIOGENIC JRNL TITL 2 AMINE-BINDING PROTEIN FROM THE MALARIA MOSQUITO JRNL TITL 3 ANOPHELES GAMBIAE JRNL REF J.BIOL.CHEM. V. 282 36626 2007 JRNL REFN ISSN 0021-9258 JRNL PMID 17928288 JRNL DOI 10.1074/JBC.M706410200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 62.62 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 3 NUMBER OF REFLECTIONS : 11190 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) : 0.220 REMARK 3 R VALUE (WORKING SET) : 0.219 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 533 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.05 REMARK 3 REFLECTION IN BIN (WORKING SET) : 695 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 85.82 REMARK 3 BIN R VALUE (WORKING SET) : 0.3170 REMARK 3 BIN FREE R VALUE SET COUNT : 31 REMARK 3 BIN FREE R VALUE : 0.2700 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1189 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 72 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 44.09 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.53000 REMARK 3 B22 (A**2) : 0.53000 REMARK 3 B33 (A**2) : -1.07000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.213 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.167 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.141 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 11.100 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.947 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.948 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1215 ; 0.009 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1634 ; 1.060 ; 1.977 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 144 ; 5.822 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 60 ;34.372 ;24.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 237 ;14.942 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;23.589 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 175 ; 0.095 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 908 ; 0.004 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 591 ; 0.259 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 849 ; 0.321 ; 0.500 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 104 ; 0.192 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 23 ; 0.225 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 7 ; 0.177 ; 0.500 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 740 ; 3.919 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1175 ; 5.006 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 518 ; 7.095 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 459 ; 9.833 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 0 A 144 REMARK 3 ORIGIN FOR THE GROUP (A): 8.3779 -22.4167 0.7442 REMARK 3 T TENSOR REMARK 3 T11: -0.0441 T22: 0.0604 REMARK 3 T33: -0.0330 T12: 0.0299 REMARK 3 T13: -0.0256 T23: -0.0720 REMARK 3 L TENSOR REMARK 3 L11: 1.8530 L22: 0.5588 REMARK 3 L33: 1.7140 L12: 0.0847 REMARK 3 L13: 1.1752 L23: 0.3301 REMARK 3 S TENSOR REMARK 3 S11: -0.2977 S12: -0.0943 S13: 0.2868 REMARK 3 S21: -0.0688 S22: 0.1145 S23: -0.0708 REMARK 3 S31: -0.2412 S32: -0.2394 S33: 0.1832 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS REMARK 4 REMARK 4 2QEV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUL-07. REMARK 100 THE RCSB ID CODE IS RCSB043510. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-NOV-05 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 8.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 19-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9791533 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-3000 REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11190 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.998 REMARK 200 RESOLUTION RANGE LOW (A) : 62.620 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 4.400 REMARK 200 R MERGE (I) : 0.03900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 84.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.30300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: MLPHARE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.45 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 % PEG 6000, 0.1 M TRIS HCL, PH REMARK 280 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298.0K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 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 -Y,X,Z+3/4 REMARK 290 4555 Y,-X,Z+1/4 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 21.38650 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.07975 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 10.69325 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: 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 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 MET A 0 CB CG SD CE 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 ARG A 89 0.29 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2QEB RELATED DB: PDB REMARK 900 RELATED ID: 2QEH RELATED DB: PDB REMARK 900 RELATED ID: 2QEO RELATED DB: PDB DBREF 2QEV A 1 144 UNP Q9BIH3 Q9BIH3_ANOGA 22 165 SEQADV 2QEV MET A 0 UNP Q9BIH3 INITIATING METHIONINE SEQRES 1 A 145 MET GLU THR VAL GLN ASP CYS GLU ASN LYS LEU PRO PRO SEQRES 2 A 145 SER LEU LYS SER ARG LEU CYS GLU ILE ARG ARG TYR GLU SEQRES 3 A 145 ILE ILE GLU GLY PRO GLU MET ASP LYS HIS ILE HIS CYS SEQRES 4 A 145 VAL MET ARG ALA LEU ASP PHE VAL TYR GLU ASP GLY ARG SEQRES 5 A 145 GLY ASP TYR HIS LYS LEU TYR ASP PRO LEU ASN ILE ILE SEQRES 6 A 145 GLU LEU ASP LYS ARG HIS ASP VAL ASN LEU GLU LYS CYS SEQRES 7 A 145 ILE GLY GLU CYS VAL GLN VAL PRO THR SER GLU ARG ALA SEQRES 8 A 145 HIS VAL PHE TYR LYS CYS LEU LEU LYS SER THR THR GLY SEQRES 9 A 145 ARG THR PHE LYS LYS VAL PHE ASP LEU MET GLU LEU LYS SEQRES 10 A 145 LYS ALA GLY LYS VAL PRO GLN HIS GLN ARG TYR THR ALA SEQRES 11 A 145 GLU PHE VAL GLN ILE MET LYS ASP TYR ASP LYS ALA LEU SEQRES 12 A 145 ASN CYS FORMUL 2 HOH *72(H2 O) HELIX 1 1 THR A 2 GLU A 7 1 6 HELIX 2 2 PRO A 11 SER A 16 1 6 HELIX 3 3 ARG A 17 ARG A 23 1 7 HELIX 4 4 PRO A 30 LEU A 43 1 14 HELIX 5 5 ASP A 53 GLU A 65 1 13 HELIX 6 6 LYS A 68 GLN A 83 1 16 HELIX 7 7 GLU A 88 SER A 100 1 13 HELIX 8 8 THR A 102 GLY A 119 1 18 HELIX 9 9 THR A 128 ALA A 141 1 14 SSBOND 1 CYS A 6 CYS A 38 1555 1555 2.04 SSBOND 2 CYS A 19 CYS A 144 1555 1555 2.05 SSBOND 3 CYS A 77 CYS A 96 1555 1555 2.04 CISPEP 1 GLY A 29 PRO A 30 0 -4.43 CRYST1 62.651 62.651 42.773 90.00 90.00 90.00 P 43 4 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 0.015961 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015961 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023379 0.00000 ATOM 1 N MET A 0 19.846 -18.482 -8.966 1.00 64.63 N ATOM 2 CA MET A 0 20.425 -17.157 -9.156 1.00 69.44 C ATOM 3 C MET A 0 20.595 -16.434 -7.824 1.00 70.04 C ATOM 4 O MET A 0 21.713 -16.257 -7.342 1.00 74.14 O ATOM 5 N GLU A 1 19.478 -16.019 -7.235 1.00 62.76 N ATOM 6 CA GLU A 1 19.506 -15.254 -5.994 1.00 60.69 C ATOM 7 C GLU A 1 18.895 -16.047 -4.844 1.00 60.96 C ATOM 8 O GLU A 1 17.723 -16.422 -4.889 1.00 62.56 O ATOM 9 CB GLU A 1 18.767 -13.925 -6.168 1.00 58.40 C ATOM 10 CG GLU A 1 18.492 -13.193 -4.864 1.00 55.56 C ATOM 11 CD GLU A 1 17.447 -12.106 -5.015 1.00 60.67 C ATOM 12 OE1 GLU A 1 16.442 -12.339 -5.720 1.00 56.40 O ATOM 13 OE2 GLU A 1 17.628 -11.018 -4.429 1.00 58.26 O ATOM 14 N THR A 2 19.697 -16.300 -3.815 1.00 56.28 N ATOM 15 CA THR A 2 19.363 -17.305 -2.812 1.00 52.58 C ATOM 16 C THR A 2 18.387 -16.751 -1.780 1.00 50.87 C ATOM 17 O THR A 2 18.297 -15.539 -1.585 1.00 54.22 O ATOM 18 CB THR A 2 20.621 -17.821 -2.090 1.00 49.06 C ATOM 19 OG1 THR A 2 21.261 -16.737 -1.406 1.00 54.24 O ATOM 20 CG2 THR A 2 21.595 -18.432 -3.086 1.00 57.50 C ATOM 21 N VAL A 3 17.657 -17.646 -1.123 1.00 48.63 N ATOM 22 CA VAL A 3 16.824 -17.270 0.017 1.00 39.95 C ATOM 23 C VAL A 3 17.609 -16.380 0.995 1.00 43.86 C ATOM 24 O VAL A 3 17.065 -15.428 1.547 1.00 38.75 O ATOM 25 CB VAL A 3 16.284 -18.508 0.762 1.00 36.93 C ATOM 26 CG1 VAL A 3 15.718 -18.115 2.133 1.00 39.69 C ATOM 27 CG2 VAL A 3 15.234 -19.221 -0.079 1.00 30.69 C ATOM 28 N GLN A 4 18.881 -16.712 1.200 1.00 48.48 N ATOM 29 CA GLN A 4 19.812 -15.886 1.987 1.00 53.89 C ATOM 30 C GLN A 4 19.897 -14.446 1.478 1.00 53.54 C ATOM 31 O GLN A 4 19.978 -13.506 2.266 1.00 53.06 O ATOM 32 CB GLN A 4 21.207 -16.506 1.959 1.00 51.15 C ATOM 33 CG GLN A 4 22.122 -16.074 3.109 1.00 60.28 C ATOM 34 CD GLN A 4 23.254 -17.069 3.358 1.00 72.78 C ATOM 35 OE1 GLN A 4 23.027 -18.280 3.430 1.00 76.03 O ATOM 36 NE2 GLN A 4 24.477 -16.560 3.492 1.00 75.10 N ATOM 37 N ASP A 5 19.889 -14.288 0.155 1.00 53.90 N ATOM 38 CA ASP A 5 19.918 -12.971 -0.476 1.00 52.15 C ATOM 39 C ASP A 5 18.646 -12.178 -0.189 1.00 53.56 C ATOM 40 O ASP A 5 18.686 -10.950 -0.084 1.00 56.00 O ATOM 41 CB ASP A 5 20.117 -13.096 -1.990 1.00 50.08 C ATOM 42 CG ASP A 5 21.521 -13.522 -2.365 1.00 59.25 C ATOM 43 OD1 ASP A 5 22.466 -13.218 -1.600 1.00 57.82 O ATOM 44 OD2 ASP A 5 21.681 -14.157 -3.433 1.00 64.15 O ATOM 45 N CYS A 6 17.519 -12.875 -0.061 1.00 50.38 N ATOM 46 CA CYS A 6 16.252 -12.213 0.245 1.00 49.76 C ATOM 47 C CYS A 6 16.187 -11.755 1.700 1.00 49.72 C ATOM 48 O CYS A 6 15.662 -10.683 2.006 1.00 49.15 O ATOM 49 CB CYS A 6 15.061 -13.132 -0.058 1.00 54.60 C ATOM 50 SG CYS A 6 15.052 -13.844 -1.716 1.00 49.11 S ATOM 51 N GLU A 7 16.692 -12.588 2.596 1.00 46.23 N ATOM 52 CA GLU A 7 16.784 -12.222 4.007 1.00 56.25 C ATOM 53 C GLU A 7 17.755 -11.051 4.221 1.00 57.39 C ATOM 54 O GLU A 7 17.822 -10.466 5.306 1.00 57.02 O ATOM 55 CB GLU A 7 17.193 -13.442 4.838 1.00 53.43 C ATOM 56 CG GLU A 7 16.493 -14.733 4.389 1.00 53.51 C ATOM 57 CD GLU A 7 16.568 -15.842 5.419 1.00 54.08 C ATOM 58 OE1 GLU A 7 17.691 -16.168 5.867 1.00 47.16 O ATOM 59 OE2 GLU A 7 15.503 -16.396 5.775 1.00 43.45 O ATOM 60 N ASN A 8 18.500 -10.715 3.173 1.00 61.70 N ATOM 61 CA ASN A 8 19.478 -9.633 3.231 1.00 65.22 C ATOM 62 C ASN A 8 18.902 -8.316 2.705 1.00 67.76 C ATOM 63 O ASN A 8 19.595 -7.296 2.678 1.00 71.57 O ATOM 64 CB ASN A 8 20.730 -9.997 2.426 1.00 64.37 C ATOM 65 CG ASN A 8 21.616 -11.009 3.132 1.00 50.98 C ATOM 66 OD1 ASN A 8 21.444 -11.297 4.319 1.00 47.29 O ATOM 67 ND2 ASN A 8 22.575 -11.553 2.397 1.00 39.42 N ATOM 68 N LYS A 9 17.639 -8.347 2.291 1.00 66.56 N ATOM 69 CA LYS A 9 16.925 -7.132 1.919 1.00 65.21 C ATOM 70 C LYS A 9 15.864 -6.777 2.955 1.00 66.74 C ATOM 71 O LYS A 9 15.365 -5.652 2.987 1.00 71.96 O ATOM 72 CB LYS A 9 16.282 -7.290 0.540 1.00 66.51 C ATOM 73 CG LYS A 9 17.166 -7.984 -0.482 1.00 66.57 C ATOM 74 CD LYS A 9 16.371 -8.403 -1.708 1.00 64.16 C ATOM 75 CE LYS A 9 17.273 -8.576 -2.919 1.00 70.59 C ATOM 76 NZ LYS A 9 16.524 -8.416 -4.196 1.00 74.95 N ATOM 77 N LEU A 10 15.523 -7.744 3.801 1.00 67.80 N ATOM 78 CA LEU A 10 14.502 -7.544 4.822 1.00 68.46 C ATOM 79 C LEU A 10 14.639 -6.175 5.478 1.00 71.64 C ATOM 80 O LEU A 10 15.596 -5.919 6.210 1.00 68.09 O ATOM 81 CB LEU A 10 14.581 -8.645 5.882 1.00 64.90 C ATOM 82 CG LEU A 10 13.323 -9.494 6.073 1.00 62.10 C ATOM 83 CD1 LEU A 10 12.540 -9.596 4.773 1.00 51.25 C ATOM 84 CD2 LEU A 10 13.681 -10.876 6.598 1.00 60.88 C ATOM 85 N PRO A 11 13.677 -5.297 5.212 1.00 75.32 N ATOM 86 CA PRO A 11 13.528 -4.059 5.983 1.00 78.10 C ATOM 87 C PRO A 11 13.696 -4.300 7.480 1.00 78.08 C ATOM 88 O PRO A 11 13.168 -5.278 8.010 1.00 78.58 O ATOM 89 CB PRO A 11 12.091 -3.634 5.677 1.00 78.43 C ATOM 90 CG PRO A 11 11.817 -4.199 4.329 1.00 78.77 C ATOM 91 CD PRO A 11 12.563 -5.502 4.270 1.00 77.63 C ATOM 92 N PRO A 12 14.425 -3.413 8.148 1.00 77.11 N ATOM 93 CA PRO A 12 14.688 -3.556 9.583 1.00 73.96 C ATOM 94 C PRO A 12 13.483 -4.037 10.394 1.00 70.29 C ATOM 95 O PRO A 12 13.650 -4.775 11.379 1.00 66.24 O ATOM 96 CB PRO A 12 15.065 -2.135 10.005 1.00 75.43 C ATOM 97 CG PRO A 12 15.680 -1.540 8.783 1.00 77.52 C ATOM 98 CD PRO A 12 14.982 -2.160 7.602 1.00 78.01 C ATOM 99 N SER A 13 12.286 -3.610 9.984 1.00 68.88 N ATOM 100 CA SER A 13 11.051 -3.997 10.666 1.00 68.39 C ATOM 101 C SER A 13 10.837 -5.513 10.693 1.00 68.69 C ATOM 102 O SER A 13 10.249 -6.051 11.638 1.00 68.27 O ATOM 103 CB SER A 13 9.844 -3.310 10.014 1.00 68.71 C ATOM 104 OG SER A 13 9.815 -3.526 8.610 1.00 66.79 O ATOM 105 N LEU A 14 11.314 -6.190 9.647 1.00 64.37 N ATOM 106 CA LEU A 14 11.093 -7.626 9.468 1.00 60.11 C ATOM 107 C LEU A 14 12.292 -8.443 9.941 1.00 57.67 C ATOM 108 O LEU A 14 12.146 -9.595 10.348 1.00 57.12 O ATOM 109 CB LEU A 14 10.825 -7.938 7.993 1.00 60.70 C ATOM 110 CG LEU A 14 9.560 -7.357 7.361 1.00 60.94 C ATOM 111 CD1 LEU A 14 9.505 -7.702 5.874 1.00 67.29 C ATOM 112 CD2 LEU A 14 8.324 -7.868 8.086 1.00 60.63 C ATOM 113 N LYS A 15 13.479 -7.844 9.885 1.00 57.65 N ATOM 114 CA LYS A 15 14.709 -8.582 10.144 1.00 54.76 C ATOM 115 C LYS A 15 14.742 -9.122 11.569 1.00 55.71 C ATOM 116 O LYS A 15 15.399 -10.125 11.853 1.00 50.57 O ATOM 117 CB LYS A 15 15.930 -7.714 9.859 1.00 58.14 C ATOM 118 CG LYS A 15 17.153 -8.502 9.394 1.00 69.91 C ATOM 119 CD LYS A 15 18.152 -7.607 8.668 1.00 84.87 C ATOM 120 CE LYS A 15 17.551 -7.025 7.392 1.00 80.36 C ATOM 121 NZ LYS A 15 18.338 -5.868 6.870 1.00 78.29 N ATOM 122 N SER A 16 14.014 -8.456 12.460 1.00 54.23 N ATOM 123 CA SER A 16 13.945 -8.856 13.865 1.00 55.94 C ATOM 124 C SER A 16 12.926 -9.971 14.102 1.00 52.83 C ATOM 125 O SER A 16 12.859 -10.542 15.194 1.00 51.88 O ATOM 126 CB SER A 16 13.621 -7.647 14.752 1.00 58.83 C ATOM 127 OG SER A 16 12.527 -6.907 14.224 1.00 65.23 O ATOM 128 N ARG A 17 12.137 -10.278 13.075 1.00 51.08 N ATOM 129 CA ARG A 17 11.185 -11.383 13.143 1.00 47.91 C ATOM 130 C ARG A 17 11.541 -12.531 12.178 1.00 48.43 C ATOM 131 O ARG A 17 10.671 -13.301 11.770 1.00 44.02 O ATOM 132 CB ARG A 17 9.760 -10.878 12.892 1.00 50.47 C ATOM 133 CG ARG A 17 9.393 -9.596 13.677 1.00 49.22 C ATOM 134 CD ARG A 17 8.063 -9.032 13.199 1.00 52.94 C ATOM 135 NE ARG A 17 6.962 -9.924 13.552 1.00 55.29 N ATOM 136 CZ ARG A 17 5.689 -9.718 13.233 1.00 57.71 C ATOM 137 NH1 ARG A 17 5.336 -8.639 12.542 1.00 50.71 N ATOM 138 NH2 ARG A 17 4.769 -10.599 13.608 1.00 43.71 N ATOM 139 N LEU A 18 12.822 -12.652 11.836 1.00 51.09 N ATOM 140 CA LEU A 18 13.288 -13.693 10.904 1.00 43.61 C ATOM 141 C LEU A 18 12.879 -15.095 11.339 1.00 46.26 C ATOM 142 O LEU A 18 12.478 -15.922 10.517 1.00 42.21 O ATOM 143 CB LEU A 18 14.809 -13.638 10.755 1.00 50.94 C ATOM 144 CG LEU A 18 15.446 -14.628 9.771 1.00 43.44 C ATOM 145 CD1 LEU A 18 15.096 -14.264 8.331 1.00 56.45 C ATOM 146 CD2 LEU A 18 16.950 -14.683 9.966 1.00 57.40 C ATOM 147 N CYS A 19 12.998 -15.382 12.629 1.00 36.56 N ATOM 148 CA CYS A 19 12.668 -16.716 13.098 1.00 43.50 C ATOM 149 C CYS A 19 11.188 -17.080 12.936 1.00 42.15 C ATOM 150 O CYS A 19 10.858 -18.221 12.623 1.00 44.51 O ATOM 151 CB CYS A 19 13.177 -16.946 14.515 1.00 41.71 C ATOM 152 SG CYS A 19 14.956 -16.593 14.688 1.00 45.32 S ATOM 153 N GLU A 20 10.301 -16.110 13.141 1.00 46.14 N ATOM 154 CA GLU A 20 8.891 -16.282 12.810 1.00 38.49 C ATOM 155 C GLU A 20 8.657 -16.645 11.342 1.00 40.07 C ATOM 156 O GLU A 20 7.887 -17.559 11.027 1.00 39.86 O ATOM 157 CB GLU A 20 8.107 -15.023 13.186 1.00 49.25 C ATOM 158 CG GLU A 20 8.377 -14.568 14.612 1.00 46.77 C ATOM 159 CD GLU A 20 7.852 -13.169 14.895 1.00 63.50 C ATOM 160 OE1 GLU A 20 6.926 -12.710 14.178 1.00 53.24 O ATOM 161 OE2 GLU A 20 8.373 -12.535 15.838 1.00 56.85 O ATOM 162 N ILE A 21 9.309 -15.920 10.442 1.00 39.55 N ATOM 163 CA ILE A 21 9.126 -16.150 9.011 1.00 44.30 C ATOM 164 C ILE A 21 9.629 -17.560 8.632 1.00 40.14 C ATOM 165 O ILE A 21 8.950 -18.329 7.945 1.00 40.91 O ATOM 166 CB ILE A 21 9.917 -15.096 8.200 1.00 43.31 C ATOM 167 CG1 ILE A 21 9.607 -13.686 8.690 1.00 45.15 C ATOM 168 CG2 ILE A 21 9.643 -15.225 6.720 1.00 50.24 C ATOM 169 CD1 ILE A 21 9.907 -12.608 7.644 1.00 42.17 C ATOM 170 N ARG A 22 10.825 -17.888 9.096 1.00 36.91 N ATOM 171 CA ARG A 22 11.469 -19.140 8.742 1.00 37.51 C ATOM 172 C ARG A 22 10.741 -20.312 9.390 1.00 42.44 C ATOM 173 O ARG A 22 10.966 -21.480 9.034 1.00 37.98 O ATOM 174 CB ARG A 22 12.938 -19.090 9.168 1.00 39.61 C ATOM 175 CG ARG A 22 13.806 -18.188 8.284 1.00 31.45 C ATOM 176 CD ARG A 22 15.305 -18.388 8.608 1.00 31.60 C ATOM 177 NE ARG A 22 15.714 -19.760 8.320 1.00 31.05 N ATOM 178 CZ ARG A 22 16.009 -20.239 7.113 1.00 38.21 C ATOM 179 NH1 ARG A 22 15.960 -19.473 6.031 1.00 29.25 N ATOM 180 NH2 ARG A 22 16.340 -21.509 6.983 1.00 30.27 N ATOM 181 N ARG A 23 9.866 -19.987 10.342 1.00 31.72 N ATOM 182 CA ARG A 23 9.004 -20.964 11.015 1.00 38.98 C ATOM 183 C ARG A 23 7.669 -21.078 10.268 1.00 33.14 C ATOM 184 O ARG A 23 6.795 -21.843 10.674 1.00 35.23 O ATOM 185 CB ARG A 23 8.710 -20.504 12.461 1.00 37.23 C ATOM 186 CG ARG A 23 9.716 -20.965 13.506 1.00 50.43 C ATOM 187 CD ARG A 23 9.154 -20.723 14.920 1.00 51.05 C ATOM 188 NE ARG A 23 8.675 -19.347 15.103 1.00 67.96 N ATOM 189 CZ ARG A 23 9.225 -18.499 15.994 1.00 77.44 C ATOM 190 NH1 ARG A 23 10.273 -18.888 16.788 1.00 74.23 N ATOM 191 NH2 ARG A 23 8.728 -17.264 16.094 1.00 70.15 N ATOM 192 N TYR A 24 7.539 -20.319 9.179 1.00 30.18 N ATOM 193 CA TYR A 24 6.352 -20.304 8.335 1.00 33.26 C ATOM 194 C TYR A 24 5.155 -19.561 8.943 1.00 40.57 C ATOM 195 O TYR A 24 4.014 -19.704 8.491 1.00 45.57 O ATOM 196 CB TYR A 24 5.980 -21.708 7.848 1.00 33.55 C ATOM 197 CG TYR A 24 7.056 -22.316 6.967 1.00 31.97 C ATOM 198 CD1 TYR A 24 7.139 -21.999 5.611 1.00 39.93 C ATOM 199 CD2 TYR A 24 7.995 -23.193 7.492 1.00 32.32 C ATOM 200 CE1 TYR A 24 8.122 -22.548 4.801 1.00 36.58 C ATOM 201 CE2 TYR A 24 8.994 -23.746 6.681 1.00 28.46 C ATOM 202 CZ TYR A 24 9.052 -23.418 5.353 1.00 33.52 C ATOM 203 OH TYR A 24 10.044 -23.982 4.573 1.00 41.13 O ATOM 204 N GLU A 25 5.426 -18.733 9.943 1.00 41.62 N ATOM 205 CA GLU A 25 4.392 -17.868 10.493 1.00 41.69 C ATOM 206 C GLU A 25 4.031 -16.741 9.545 1.00 37.54 C ATOM 207 O GLU A 25 4.899 -16.158 8.891 1.00 39.98 O ATOM 208 CB GLU A 25 4.797 -17.341 11.865 1.00 41.13 C ATOM 209 CG GLU A 25 4.830 -18.428 12.914 1.00 46.84 C ATOM 210 CD GLU A 25 5.695 -18.045 14.095 1.00 58.06 C ATOM 211 OE1 GLU A 25 6.153 -16.875 14.112 1.00 62.53 O ATOM 212 OE2 GLU A 25 5.923 -18.910 14.995 1.00 63.80 O ATOM 213 N ILE A 26 2.736 -16.451 9.463 1.00 45.42 N ATOM 214 CA ILE A 26 2.212 -15.491 8.490 1.00 44.78 C ATOM 215 C ILE A 26 2.245 -14.036 8.994 1.00 46.29 C ATOM 216 O ILE A 26 1.837 -13.740 10.115 1.00 38.89 O ATOM 217 CB ILE A 26 0.769 -15.842 8.062 1.00 50.10 C ATOM 218 CG1 ILE A 26 0.631 -17.344 7.792 1.00 52.54 C ATOM 219 CG2 ILE A 26 0.364 -15.021 6.848 1.00 44.29 C ATOM 220 CD1 ILE A 26 1.372 -17.828 6.542 1.00 51.07 C ATOM 221 N ILE A 27 2.733 -13.145 8.135 1.00 46.24 N ATOM 222 CA ILE A 27 2.916 -11.735 8.449 1.00 49.67 C ATOM 223 C ILE A 27 2.565 -10.982 7.167 1.00 52.44 C ATOM 224 O ILE A 27 3.007 -11.360 6.080 1.00 46.64 O ATOM 225 CB ILE A 27 4.392 -11.435 8.843 1.00 49.03 C ATOM 226 CG1 ILE A 27 4.866 -12.400 9.933 1.00 50.60 C ATOM 227 CG2 ILE A 27 4.553 -9.993 9.309 1.00 47.51 C ATOM 228 CD1 ILE A 27 6.301 -12.187 10.370 1.00 48.89 C ATOM 229 N GLU A 28 1.755 -9.931 7.291 1.00 59.29 N ATOM 230 CA GLU A 28 1.179 -9.266 6.124 1.00 57.57 C ATOM 231 C GLU A 28 2.032 -8.109 5.595 1.00 59.25 C ATOM 232 O GLU A 28 2.827 -7.520 6.335 1.00 57.44 O ATOM 233 CB GLU A 28 -0.254 -8.822 6.413 1.00 58.86 C ATOM 234 CG GLU A 28 -1.192 -9.981 6.739 1.00 60.32 C ATOM 235 CD GLU A 28 -1.477 -10.861 5.532 1.00 62.05 C ATOM 236 OE1 GLU A 28 -1.136 -10.446 4.402 1.00 50.89 O ATOM 237 OE2 GLU A 28 -2.039 -11.964 5.715 1.00 52.47 O ATOM 238 N GLY A 29 1.862 -7.796 4.312 1.00 58.65 N ATOM 239 CA GLY A 29 2.884 -7.087 3.542 1.00 62.00 C ATOM 240 C GLY A 29 2.682 -5.588 3.486 1.00 65.46 C ATOM 241 O GLY A 29 2.252 -4.983 4.468 1.00 69.94 O ATOM 242 N PRO A 30 3.005 -4.968 2.335 1.00 65.21 N ATOM 243 CA PRO A 30 3.617 -5.602 1.171 1.00 64.89 C ATOM 244 C PRO A 30 5.139 -5.644 1.284 1.00 63.29 C ATOM 245 O PRO A 30 5.836 -5.873 0.289 1.00 61.41 O ATOM 246 CB PRO A 30 3.215 -4.669 0.031 1.00 68.04 C ATOM 247 CG PRO A 30 3.168 -3.319 0.669 1.00 64.38 C ATOM 248 CD PRO A 30 2.768 -3.529 2.113 1.00 65.71 C ATOM 249 N GLU A 31 5.643 -5.402 2.490 1.00 60.28 N ATOM 250 CA GLU A 31 7.015 -5.743 2.831 1.00 60.05 C ATOM 251 C GLU A 31 7.181 -7.261 2.759 1.00 58.73 C ATOM 252 O GLU A 31 8.038 -7.772 2.033 1.00 57.33 O ATOM 253 CB GLU A 31 7.333 -5.253 4.246 1.00 58.90 C ATOM 254 CG GLU A 31 7.129 -3.762 4.452 1.00 61.76 C ATOM 255 CD GLU A 31 7.864 -3.245 5.683 1.00 81.64 C ATOM 256 OE1 GLU A 31 7.665 -3.813 6.784 1.00 88.30 O ATOM 257 OE2 GLU A 31 8.644 -2.272 5.551 1.00 80.28 O ATOM 258 N MET A 32 6.348 -7.969 3.520 1.00 55.11 N ATOM 259 CA MET A 32 6.267 -9.422 3.449 1.00 57.31 C ATOM 260 C MET A 32 5.885 -9.926 2.063 1.00 57.52 C ATOM 261 O MET A 32 6.343 -10.990 1.637 1.00 59.65 O ATOM 262 CB MET A 32 5.285 -9.961 4.493 1.00 56.37 C ATOM 263 CG MET A 32 5.890 -10.146 5.882 1.00 55.30 C ATOM 264 SD MET A 32 7.351 -11.210 5.865 1.00 58.14 S ATOM 265 CE MET A 32 6.606 -12.843 5.831 1.00 48.97 C ATOM 266 N ASP A 33 5.049 -9.164 1.366 1.00 56.91 N ATOM 267 CA ASP A 33 4.525 -9.585 0.072 1.00 56.81 C ATOM 268 C ASP A 33 5.652 -9.808 -0.932 1.00 57.39 C ATOM 269 O ASP A 33 5.500 -10.563 -1.892 1.00 61.84 O ATOM 270 CB ASP A 33 3.536 -8.551 -0.469 1.00 60.60 C ATOM 271 CG ASP A 33 2.170 -8.657 0.180 1.00 53.38 C ATOM 272 OD1 ASP A 33 1.666 -9.790 0.325 1.00 56.81 O ATOM 273 OD2 ASP A 33 1.600 -7.607 0.544 1.00 68.65 O ATOM 274 N LYS A 34 6.781 -9.145 -0.703 1.00 60.43 N ATOM 275 CA LYS A 34 7.813 -9.016 -1.724 1.00 63.22 C ATOM 276 C LYS A 34 9.107 -9.696 -1.288 1.00 59.88 C ATOM 277 O LYS A 34 9.994 -9.946 -2.105 1.00 59.10 O ATOM 278 CB LYS A 34 8.075 -7.541 -2.038 1.00 64.26 C ATOM 279 CG LYS A 34 8.324 -7.255 -3.510 1.00 70.44 C ATOM 280 CD LYS A 34 7.261 -7.898 -4.385 1.00 67.33 C ATOM 281 CE LYS A 34 7.734 -8.027 -5.824 1.00 70.31 C ATOM 282 NZ LYS A 34 6.596 -8.171 -6.773 1.00 70.27 N ATOM 283 N HIS A 35 9.208 -9.993 0.003 1.00 55.54 N ATOM 284 CA HIS A 35 10.224 -10.913 0.500 1.00 54.43 C ATOM 285 C HIS A 35 9.842 -12.342 0.131 1.00 53.26 C ATOM 286 O HIS A 35 10.688 -13.127 -0.302 1.00 55.55 O ATOM 287 CB HIS A 35 10.416 -10.779 2.011 1.00 52.21 C ATOM 288 CG HIS A 35 11.185 -11.908 2.624 1.00 42.29 C ATOM 289 ND1 HIS A 35 12.512 -12.150 2.335 1.00 42.35 N ATOM 290 CD2 HIS A 35 10.811 -12.865 3.507 1.00 43.35 C ATOM 291 CE1 HIS A 35 12.923 -13.208 3.013 1.00 45.27 C ATOM 292 NE2 HIS A 35 11.910 -13.661 3.731 1.00 46.66 N ATOM 293 N ILE A 36 8.567 -12.673 0.304 1.00 46.46 N ATOM 294 CA ILE A 36 8.082 -14.023 0.037 1.00 47.55 C ATOM 295 C ILE A 36 8.091 -14.326 -1.458 1.00 47.59 C ATOM 296 O ILE A 36 8.288 -15.470 -1.867 1.00 50.35 O ATOM 297 CB ILE A 36 6.658 -14.230 0.585 1.00 41.06 C ATOM 298 CG1 ILE A 36 6.691 -14.394 2.106 1.00 40.14 C ATOM 299 CG2 ILE A 36 6.005 -15.436 -0.072 1.00 42.52 C ATOM 300 CD1 ILE A 36 7.703 -15.410 2.588 1.00 39.67 C ATOM 301 N HIS A 37 7.877 -13.295 -2.268 1.00 40.55 N ATOM 302 CA HIS A 37 8.072 -13.399 -3.709 1.00 49.69 C ATOM 303 C HIS A 37 9.543 -13.610 -4.051 1.00 52.15 C ATOM 304 O HIS A 37 9.873 -14.291 -5.022 1.00 51.86 O ATOM 305 CB HIS A 37 7.543 -12.148 -4.413 1.00 45.09 C ATOM 306 CG HIS A 37 7.565 -12.241 -5.907 1.00 42.67 C ATOM 307 ND1 HIS A 37 8.728 -12.152 -6.641 1.00 46.57 N ATOM 308 CD2 HIS A 37 6.567 -12.415 -6.805 1.00 39.04 C ATOM 309 CE1 HIS A 37 8.446 -12.267 -7.926 1.00 42.96 C ATOM 310 NE2 HIS A 37 7.141 -12.428 -8.053 1.00 43.40 N ATOM 311 N CYS A 38 10.423 -13.021 -3.248 1.00 52.84 N ATOM 312 CA CYS A 38 11.858 -13.236 -3.394 1.00 50.77 C ATOM 313 C CYS A 38 12.227 -14.691 -3.124 1.00 44.69 C ATOM 314 O CYS A 38 12.966 -15.307 -3.892 1.00 49.18 O ATOM 315 CB CYS A 38 12.637 -12.313 -2.456 1.00 50.45 C ATOM 316 SG CYS A 38 14.411 -12.231 -2.791 1.00 60.84 S ATOM 317 N VAL A 39 11.709 -15.234 -2.027 1.00 46.69 N ATOM 318 CA VAL A 39 12.049 -16.596 -1.608 1.00 47.22 C ATOM 319 C VAL A 39 11.346 -17.642 -2.487 1.00 42.62 C ATOM 320 O VAL A 39 11.972 -18.578 -2.968 1.00 41.43 O ATOM 321 CB VAL A 39 11.755 -16.863 -0.099 1.00 40.03 C ATOM 322 CG1 VAL A 39 12.502 -15.881 0.797 1.00 45.70 C ATOM 323 CG2 VAL A 39 10.276 -16.829 0.175 1.00 42.25 C ATOM 324 N MET A 40 10.049 -17.470 -2.712 1.00 47.93 N ATOM 325 CA MET A 40 9.334 -18.316 -3.679 1.00 45.98 C ATOM 326 C MET A 40 9.945 -18.320 -5.083 1.00 44.20 C ATOM 327 O MET A 40 9.860 -19.312 -5.806 1.00 46.21 O ATOM 328 CB MET A 40 7.859 -17.930 -3.741 1.00 49.76 C ATOM 329 CG MET A 40 7.088 -18.248 -2.477 1.00 41.37 C ATOM 330 SD MET A 40 7.056 -19.998 -2.056 1.00 39.45 S ATOM 331 CE MET A 40 5.752 -20.625 -3.127 1.00 42.31 C ATOM 332 N ARG A 41 10.560 -17.207 -5.476 1.00 49.47 N ATOM 333 CA ARG A 41 11.266 -17.136 -6.756 1.00 45.43 C ATOM 334 C ARG A 41 12.644 -17.798 -6.691 1.00 40.14 C ATOM 335 O ARG A 41 13.095 -18.445 -7.644 1.00 36.30 O ATOM 336 CB ARG A 41 11.400 -15.679 -7.208 1.00 52.22 C ATOM 337 CG ARG A 41 10.146 -15.109 -7.864 1.00 55.19 C ATOM 338 CD ARG A 41 9.861 -15.779 -9.202 1.00 54.37 C ATOM 339 NE ARG A 41 10.802 -15.367 -10.241 1.00 55.17 N ATOM 340 CZ ARG A 41 11.182 -16.138 -11.256 1.00 53.06 C ATOM 341 NH1 ARG A 41 10.710 -17.373 -11.371 1.00 52.34 N ATOM 342 NH2 ARG A 41 12.041 -15.677 -12.153 1.00 61.43 N ATOM 343 N ALA A 42 13.304 -17.630 -5.552 1.00 43.72 N ATOM 344 CA ALA A 42 14.619 -18.214 -5.308 1.00 39.63 C ATOM 345 C ALA A 42 14.605 -19.742 -5.298 1.00 47.26 C ATOM 346 O ALA A 42 15.594 -20.370 -5.690 1.00 42.85 O ATOM 347 CB ALA A 42 15.172 -17.706 -4.009 1.00 38.15 C ATOM 348 N LEU A 43 13.505 -20.332 -4.812 1.00 46.50 N ATOM 349 CA LEU A 43 13.377 -21.793 -4.711 1.00 42.78 C ATOM 350 C LEU A 43 12.663 -22.351 -5.922 1.00 43.06 C ATOM 351 O LEU A 43 12.381 -23.552 -6.001 1.00 41.27 O ATOM 352 CB LEU A 43 12.640 -22.201 -3.437 1.00 41.93 C ATOM 353 CG LEU A 43 13.419 -21.830 -2.174 1.00 46.44 C ATOM 354 CD1 LEU A 43 12.776 -22.338 -0.907 1.00 47.02 C ATOM 355 CD2 LEU A 43 14.841 -22.331 -2.291 1.00 49.18 C ATOM 356 N ASP A 44 12.366 -21.461 -6.863 1.00 40.26 N ATOM 357 CA ASP A 44 11.792 -21.847 -8.146 1.00 44.30 C ATOM 358 C ASP A 44 10.349 -22.379 -8.091 1.00 44.03 C ATOM 359 O ASP A 44 9.947 -23.218 -8.904 1.00 38.77 O ATOM 360 CB ASP A 44 12.712 -22.833 -8.853 1.00 51.29 C ATOM 361 CG ASP A 44 12.984 -22.437 -10.283 1.00 64.33 C ATOM 362 OD1 ASP A 44 12.016 -22.340 -11.070 1.00 70.78 O ATOM 363 OD2 ASP A 44 14.169 -22.219 -10.614 1.00 82.22 O ATOM 364 N PHE A 45 9.563 -21.855 -7.156 1.00 38.81 N ATOM 365 CA PHE A 45 8.200 -22.319 -6.958 1.00 42.40 C ATOM 366 C PHE A 45 7.156 -21.495 -7.698 1.00 43.52 C ATOM 367 O PHE A 45 6.021 -21.944 -7.854 1.00 41.40 O ATOM 368 CB PHE A 45 7.848 -22.345 -5.471 1.00 38.83 C ATOM 369 CG PHE A 45 8.569 -23.410 -4.685 1.00 36.84 C ATOM 370 CD1 PHE A 45 8.825 -24.647 -5.247 1.00 32.67 C ATOM 371 CD2 PHE A 45 8.978 -23.168 -3.368 1.00 26.50 C ATOM 372 CE1 PHE A 45 9.500 -25.627 -4.537 1.00 37.99 C ATOM 373 CE2 PHE A 45 9.630 -24.164 -2.636 1.00 30.20 C ATOM 374 CZ PHE A 45 9.884 -25.392 -3.221 1.00 29.99 C ATOM 375 N VAL A 46 7.526 -20.286 -8.129 1.00 44.40 N ATOM 376 CA VAL A 46 6.581 -19.387 -8.810 1.00 40.27 C ATOM 377 C VAL A 46 7.117 -18.804 -10.115 1.00 45.95 C ATOM 378 O VAL A 46 8.323 -18.797 -10.354 1.00 44.11 O ATOM 379 CB VAL A 46 6.092 -18.232 -7.907 1.00 40.69 C ATOM 380 CG1 VAL A 46 5.444 -18.766 -6.649 1.00 40.05 C ATOM 381 CG2 VAL A 46 7.236 -17.282 -7.577 1.00 38.22 C ATOM 382 N TYR A 47 6.207 -18.326 -10.961 1.00 50.38 N ATOM 383 CA TYR A 47 6.590 -17.587 -12.163 1.00 50.05 C ATOM 384 C TYR A 47 6.947 -16.140 -11.819 1.00 56.15 C ATOM 385 O TYR A 47 6.866 -15.724 -10.655 1.00 54.14 O ATOM 386 CB TYR A 47 5.469 -17.638 -13.201 1.00 55.74 C ATOM 387 CG TYR A 47 5.296 -19.001 -13.844 1.00 50.81 C ATOM 388 CD1 TYR A 47 4.444 -19.952 -13.294 1.00 53.55 C ATOM 389 CD2 TYR A 47 5.995 -19.337 -14.990 1.00 52.71 C ATOM 390 CE1 TYR A 47 4.290 -21.196 -13.876 1.00 50.82 C ATOM 391 CE2 TYR A 47 5.850 -20.576 -15.577 1.00 68.53 C ATOM 392 CZ TYR A 47 4.998 -21.505 -15.018 1.00 60.35 C ATOM 393 OH TYR A 47 4.862 -22.742 -15.612 1.00 59.94 O ATOM 394 N GLU A 48 7.351 -15.378 -12.831 1.00 63.81 N ATOM 395 CA GLU A 48 7.771 -13.990 -12.627 1.00 64.52 C ATOM 396 C GLU A 48 6.675 -13.177 -11.946 1.00 63.81 C ATOM 397 O GLU A 48 6.940 -12.409 -11.021 1.00 62.98 O ATOM 398 CB GLU A 48 8.142 -13.343 -13.960 1.00 65.97 C ATOM 399 CG GLU A 48 9.421 -13.878 -14.582 1.00 70.53 C ATOM 400 CD GLU A 48 9.830 -13.092 -15.812 1.00 83.11 C ATOM 401 OE1 GLU A 48 8.979 -12.911 -16.711 1.00 77.79 O ATOM 402 OE2 GLU A 48 10.999 -12.651 -15.878 1.00 85.54 O ATOM 403 N ASP A 49 5.444 -13.350 -12.418 1.00 62.95 N ATOM 404 CA ASP A 49 4.301 -12.635 -11.865 1.00 64.38 C ATOM 405 C ASP A 49 3.936 -13.157 -10.479 1.00 60.71 C ATOM 406 O ASP A 49 3.084 -12.591 -9.797 1.00 62.64 O ATOM 407 CB ASP A 49 3.095 -12.709 -12.815 1.00 66.28 C ATOM 408 CG ASP A 49 2.504 -14.108 -12.914 1.00 73.02 C ATOM 409 OD1 ASP A 49 3.282 -15.080 -13.038 1.00 75.38 O ATOM 410 OD2 ASP A 49 1.258 -14.233 -12.875 1.00 76.33 O ATOM 411 N GLY A 50 4.591 -14.238 -10.065 1.00 58.35 N ATOM 412 CA GLY A 50 4.411 -14.771 -8.724 1.00 49.96 C ATOM 413 C GLY A 50 3.320 -15.817 -8.624 1.00 49.24 C ATOM 414 O GLY A 50 2.917 -16.203 -7.525 1.00 50.43 O ATOM 415 N ARG A 51 2.832 -16.288 -9.767 1.00 45.52 N ATOM 416 CA ARG A 51 1.869 -17.375 -9.744 1.00 46.28 C ATOM 417 C ARG A 51 2.544 -18.707 -9.442 1.00 42.07 C ATOM 418 O ARG A 51 3.628 -18.995 -9.948 1.00 39.57 O ATOM 419 CB ARG A 51 1.097 -17.467 -11.061 1.00 47.23 C ATOM 420 CG ARG A 51 0.006 -18.527 -11.058 1.00 48.75 C ATOM 421 CD ARG A 51 -0.768 -18.538 -12.358 1.00 59.32 C ATOM 422 NE ARG A 51 0.122 -18.548 -13.515 1.00 68.23 N ATOM 423 CZ ARG A 51 0.459 -19.644 -14.185 1.00 75.42 C ATOM 424 NH1 ARG A 51 -0.022 -20.827 -13.814 1.00 82.08 N ATOM 425 NH2 ARG A 51 1.276 -19.558 -15.227 1.00 62.25 N ATOM 426 N GLY A 52 1.874 -19.530 -8.644 1.00 44.58 N ATOM 427 CA GLY A 52 2.385 -20.855 -8.307 1.00 39.59 C ATOM 428 C GLY A 52 2.586 -21.720 -9.534 1.00 40.30 C ATOM 429 O GLY A 52 1.780 -21.681 -10.455 1.00 36.93 O ATOM 430 N ASP A 53 3.671 -22.494 -9.540 1.00 35.32 N ATOM 431 CA ASP A 53 3.948 -23.472 -10.585 1.00 38.70 C ATOM 432 C ASP A 53 3.533 -24.850 -10.109 1.00 34.88 C ATOM 433 O ASP A 53 4.238 -25.492 -9.336 1.00 38.45 O ATOM 434 CB ASP A 53 5.440 -23.476 -10.941 1.00 40.41 C ATOM 435 CG ASP A 53 5.760 -24.343 -12.169 1.00 48.95 C ATOM 436 OD1 ASP A 53 5.105 -25.385 -12.382 1.00 47.33 O ATOM 437 OD2 ASP A 53 6.687 -23.986 -12.922 1.00 45.41 O ATOM 438 N TYR A 54 2.385 -25.303 -10.595 1.00 35.39 N ATOM 439 CA TYR A 54 1.834 -26.600 -10.224 1.00 31.68 C ATOM 440 C TYR A 54 2.894 -27.683 -10.330 1.00 31.53 C ATOM 441 O TYR A 54 2.980 -28.586 -9.495 1.00 27.32 O ATOM 442 CB TYR A 54 0.674 -26.917 -11.171 1.00 33.80 C ATOM 443 CG TYR A 54 -0.040 -28.206 -10.886 1.00 29.76 C ATOM 444 CD1 TYR A 54 0.489 -29.421 -11.299 1.00 25.23 C ATOM 445 CD2 TYR A 54 -1.256 -28.212 -10.200 1.00 39.93 C ATOM 446 CE1 TYR A 54 -0.198 -30.630 -11.037 1.00 24.42 C ATOM 447 CE2 TYR A 54 -1.927 -29.386 -9.934 1.00 29.39 C ATOM 448 CZ TYR A 54 -1.400 -30.589 -10.359 1.00 35.31 C ATOM 449 OH TYR A 54 -2.090 -31.762 -10.088 1.00 36.00 O ATOM 450 N HIS A 55 3.708 -27.589 -11.375 1.00 31.88 N ATOM 451 CA HIS A 55 4.560 -28.692 -11.781 1.00 34.08 C ATOM 452 C HIS A 55 5.877 -28.748 -10.982 1.00 31.57 C ATOM 453 O HIS A 55 6.523 -29.798 -10.884 1.00 35.12 O ATOM 454 CB HIS A 55 4.801 -28.624 -13.296 1.00 34.13 C ATOM 455 CG HIS A 55 3.543 -28.792 -14.098 1.00 29.73 C ATOM 456 ND1 HIS A 55 2.886 -29.997 -14.201 1.00 31.19 N ATOM 457 CD2 HIS A 55 2.816 -27.904 -14.824 1.00 35.05 C ATOM 458 CE1 HIS A 55 1.807 -29.850 -14.952 1.00 39.06 C ATOM 459 NE2 HIS A 55 1.741 -28.588 -15.343 1.00 46.97 N ATOM 460 N LYS A 56 6.244 -27.620 -10.386 1.00 35.68 N ATOM 461 CA LYS A 56 7.352 -27.569 -9.427 1.00 32.02 C ATOM 462 C LYS A 56 7.022 -28.230 -8.079 1.00 32.99 C ATOM 463 O LYS A 56 7.925 -28.567 -7.306 1.00 32.41 O ATOM 464 CB LYS A 56 7.774 -26.111 -9.206 1.00 38.07 C ATOM 465 CG LYS A 56 8.460 -25.466 -10.415 1.00 48.83 C ATOM 466 CD LYS A 56 9.823 -26.116 -10.693 1.00 51.26 C ATOM 467 CE LYS A 56 10.297 -25.895 -12.142 1.00 63.64 C ATOM 468 NZ LYS A 56 11.007 -24.589 -12.345 1.00 51.27 N ATOM 469 N LEU A 57 5.737 -28.413 -7.785 1.00 27.55 N ATOM 470 CA LEU A 57 5.337 -28.914 -6.461 1.00 29.40 C ATOM 471 C LEU A 57 4.658 -30.288 -6.433 1.00 33.38 C ATOM 472 O LEU A 57 4.831 -31.068 -5.487 1.00 29.16 O ATOM 473 CB LEU A 57 4.487 -27.867 -5.754 1.00 31.63 C ATOM 474 CG LEU A 57 5.275 -26.692 -5.172 1.00 34.13 C ATOM 475 CD1 LEU A 57 4.311 -25.546 -4.820 1.00 30.43 C ATOM 476 CD2 LEU A 57 6.093 -27.148 -3.929 1.00 33.89 C ATOM 477 N TYR A 58 3.885 -30.601 -7.468 1.00 29.61 N ATOM 478 CA TYR A 58 3.128 -31.835 -7.482 1.00 30.12 C ATOM 479 C TYR A 58 3.976 -33.071 -7.178 1.00 31.59 C ATOM 480 O TYR A 58 3.698 -33.803 -6.247 1.00 28.86 O ATOM 481 CB TYR A 58 2.377 -31.998 -8.804 1.00 30.64 C ATOM 482 CG TYR A 58 1.560 -33.255 -8.870 1.00 33.43 C ATOM 483 CD1 TYR A 58 0.244 -33.273 -8.432 1.00 36.69 C ATOM 484 CD2 TYR A 58 2.102 -34.435 -9.368 1.00 29.55 C ATOM 485 CE1 TYR A 58 -0.520 -34.438 -8.497 1.00 32.80 C ATOM 486 CE2 TYR A 58 1.352 -35.593 -9.439 1.00 39.10 C ATOM 487 CZ TYR A 58 0.042 -35.597 -9.001 1.00 39.11 C ATOM 488 OH TYR A 58 -0.714 -36.758 -9.075 1.00 33.35 O ATOM 489 N ASP A 59 5.020 -33.306 -7.962 1.00 30.60 N ATOM 490 CA ASP A 59 5.814 -34.504 -7.758 1.00 26.83 C ATOM 491 C ASP A 59 6.558 -34.506 -6.418 1.00 26.91 C ATOM 492 O ASP A 59 6.484 -35.485 -5.691 1.00 26.70 O ATOM 493 CB ASP A 59 6.808 -34.715 -8.904 1.00 27.52 C ATOM 494 CG ASP A 59 6.174 -35.410 -10.100 1.00 45.42 C ATOM 495 OD1 ASP A 59 5.070 -35.982 -9.957 1.00 41.59 O ATOM 496 OD2 ASP A 59 6.795 -35.396 -11.176 1.00 44.73 O ATOM 497 N PRO A 60 7.266 -33.411 -6.090 1.00 25.94 N ATOM 498 CA PRO A 60 7.930 -33.268 -4.767 1.00 30.38 C ATOM 499 C PRO A 60 7.039 -33.496 -3.541 1.00 31.79 C ATOM 500 O PRO A 60 7.429 -34.250 -2.646 1.00 30.77 O ATOM 501 CB PRO A 60 8.474 -31.835 -4.792 1.00 28.35 C ATOM 502 CG PRO A 60 8.708 -31.562 -6.248 1.00 34.91 C ATOM 503 CD PRO A 60 7.542 -32.257 -6.958 1.00 30.07 C ATOM 504 N LEU A 61 5.857 -32.869 -3.504 1.00 28.97 N ATOM 505 CA LEU A 61 4.865 -33.118 -2.470 1.00 23.96 C ATOM 506 C LEU A 61 4.492 -34.586 -2.377 1.00 27.62 C ATOM 507 O LEU A 61 4.517 -35.180 -1.308 1.00 29.62 O ATOM 508 CB LEU A 61 3.599 -32.257 -2.722 1.00 21.89 C ATOM 509 CG LEU A 61 3.746 -30.743 -2.627 1.00 26.30 C ATOM 510 CD1 LEU A 61 2.477 -30.079 -3.085 1.00 20.71 C ATOM 511 CD2 LEU A 61 4.020 -30.363 -1.158 1.00 28.90 C ATOM 512 N ASN A 62 4.160 -35.181 -3.512 1.00 24.14 N ATOM 513 CA ASN A 62 3.719 -36.573 -3.540 1.00 23.73 C ATOM 514 C ASN A 62 4.768 -37.628 -3.207 1.00 29.71 C ATOM 515 O ASN A 62 4.420 -38.677 -2.662 1.00 33.71 O ATOM 516 CB ASN A 62 3.037 -36.890 -4.906 1.00 27.78 C ATOM 517 CG ASN A 62 1.570 -36.494 -4.899 1.00 27.35 C ATOM 518 OD1 ASN A 62 0.789 -37.081 -4.178 1.00 36.42 O ATOM 519 ND2 ASN A 62 1.217 -35.470 -5.650 1.00 27.81 N ATOM 520 N ILE A 63 6.031 -37.360 -3.546 1.00 29.60 N ATOM 521 CA ILE A 63 7.146 -38.214 -3.130 1.00 32.30 C ATOM 522 C ILE A 63 7.334 -38.260 -1.609 1.00 37.78 C ATOM 523 O ILE A 63 7.609 -39.318 -1.033 1.00 44.73 O ATOM 524 CB ILE A 63 8.461 -37.802 -3.829 1.00 36.20 C ATOM 525 CG1 ILE A 63 8.370 -38.087 -5.329 1.00 33.05 C ATOM 526 CG2 ILE A 63 9.679 -38.546 -3.246 1.00 39.80 C ATOM 527 CD1 ILE A 63 9.404 -37.277 -6.145 1.00 41.25 C ATOM 528 N ILE A 64 7.175 -37.120 -0.955 1.00 32.25 N ATOM 529 CA ILE A 64 7.257 -37.084 0.498 1.00 40.13 C ATOM 530 C ILE A 64 5.994 -37.598 1.192 1.00 42.45 C ATOM 531 O ILE A 64 6.078 -38.306 2.194 1.00 46.87 O ATOM 532 CB ILE A 64 7.611 -35.687 1.010 1.00 40.24 C ATOM 533 CG1 ILE A 64 8.938 -35.220 0.409 1.00 41.27 C ATOM 534 CG2 ILE A 64 7.673 -35.669 2.525 1.00 47.35 C ATOM 535 CD1 ILE A 64 9.339 -33.849 0.861 1.00 35.23 C ATOM 536 N GLU A 65 4.820 -37.243 0.673 1.00 38.18 N ATOM 537 CA GLU A 65 3.575 -37.763 1.231 1.00 38.80 C ATOM 538 C GLU A 65 2.563 -38.013 0.127 1.00 33.21 C ATOM 539 O GLU A 65 1.978 -37.077 -0.414 1.00 33.65 O ATOM 540 CB GLU A 65 2.987 -36.767 2.233 1.00 41.25 C ATOM 541 CG GLU A 65 2.117 -37.418 3.293 1.00 51.82 C ATOM 542 CD GLU A 65 2.942 -38.179 4.332 1.00 71.12 C ATOM 543 OE1 GLU A 65 3.934 -37.598 4.843 1.00 57.80 O ATOM 544 OE2 GLU A 65 2.598 -39.352 4.634 1.00 60.88 O ATOM 545 N LEU A 66 2.346 -39.265 -0.225 1.00 37.66 N ATOM 546 CA LEU A 66 1.480 -39.520 -1.365 1.00 34.36 C ATOM 547 C LEU A 66 0.033 -39.221 -0.990 1.00 35.95 C ATOM 548 O LEU A 66 -0.535 -39.896 -0.148 1.00 39.01 O ATOM 549 CB LEU A 66 1.601 -40.973 -1.826 1.00 38.86 C ATOM 550 CG LEU A 66 0.666 -41.434 -2.946 1.00 38.54 C ATOM 551 CD1 LEU A 66 0.978 -40.707 -4.248 1.00 38.78 C ATOM 552 CD2 LEU A 66 0.788 -42.936 -3.114 1.00 45.61 C ATOM 553 N ASP A 67 -0.559 -38.205 -1.617 1.00 35.30 N ATOM 554 CA ASP A 67 -1.883 -37.753 -1.225 1.00 35.02 C ATOM 555 C ASP A 67 -2.605 -37.030 -2.339 1.00 35.64 C ATOM 556 O ASP A 67 -2.108 -36.046 -2.884 1.00 30.84 O ATOM 557 CB ASP A 67 -1.736 -36.809 -0.037 1.00 38.22 C ATOM 558 CG ASP A 67 -3.027 -36.662 0.757 1.00 46.42 C ATOM 559 OD1 ASP A 67 -4.105 -36.406 0.147 1.00 32.89 O ATOM 560 OD2 ASP A 67 -2.948 -36.800 1.997 1.00 49.08 O ATOM 561 N LYS A 68 -3.786 -37.537 -2.674 1.00 35.77 N ATOM 562 CA LYS A 68 -4.612 -36.953 -3.710 1.00 31.03 C ATOM 563 C LYS A 68 -4.915 -35.497 -3.401 1.00 32.38 C ATOM 564 O LYS A 68 -5.159 -34.717 -4.309 1.00 31.08 O ATOM 565 CB LYS A 68 -5.910 -37.740 -3.884 1.00 36.47 C ATOM 566 CG LYS A 68 -6.992 -37.376 -2.871 1.00 38.25 C ATOM 567 CD LYS A 68 -8.119 -38.405 -2.860 1.00 47.37 C ATOM 568 CE LYS A 68 -9.034 -38.205 -1.659 1.00 63.89 C ATOM 569 NZ LYS A 68 -10.405 -38.739 -1.920 1.00 76.37 N ATOM 570 N ARG A 69 -4.846 -35.118 -2.124 1.00 30.96 N ATOM 571 CA ARG A 69 -5.072 -33.729 -1.740 1.00 29.55 C ATOM 572 C ARG A 69 -4.100 -32.676 -2.314 1.00 25.54 C ATOM 573 O ARG A 69 -4.460 -31.502 -2.473 1.00 26.12 O ATOM 574 CB ARG A 69 -5.243 -33.610 -0.223 1.00 36.40 C ATOM 575 CG ARG A 69 -6.601 -34.145 0.236 1.00 47.98 C ATOM 576 CD ARG A 69 -6.726 -34.192 1.752 1.00 50.81 C ATOM 577 NE ARG A 69 -5.687 -35.015 2.360 1.00 66.43 N ATOM 578 CZ ARG A 69 -5.709 -35.422 3.624 1.00 59.26 C ATOM 579 NH1 ARG A 69 -6.729 -35.083 4.405 1.00 40.14 N ATOM 580 NH2 ARG A 69 -4.723 -36.174 4.097 1.00 38.18 N ATOM 581 N HIS A 70 -2.872 -33.074 -2.643 1.00 27.57 N ATOM 582 CA HIS A 70 -1.930 -32.095 -3.182 1.00 27.62 C ATOM 583 C HIS A 70 -2.471 -31.472 -4.479 1.00 24.03 C ATOM 584 O HIS A 70 -2.485 -30.247 -4.647 1.00 26.99 O ATOM 585 CB HIS A 70 -0.524 -32.710 -3.352 1.00 29.74 C ATOM 586 CG HIS A 70 0.060 -33.198 -2.056 1.00 26.92 C ATOM 587 ND1 HIS A 70 0.035 -32.436 -0.905 1.00 30.00 N ATOM 588 CD2 HIS A 70 0.627 -34.382 -1.714 1.00 28.80 C ATOM 589 CE1 HIS A 70 0.590 -33.118 0.083 1.00 28.05 C ATOM 590 NE2 HIS A 70 0.946 -34.307 -0.378 1.00 27.97 N ATOM 591 N ASP A 71 -2.939 -32.315 -5.376 1.00 25.38 N ATOM 592 CA ASP A 71 -3.565 -31.816 -6.615 1.00 28.85 C ATOM 593 C ASP A 71 -4.648 -30.760 -6.332 1.00 28.53 C ATOM 594 O ASP A 71 -4.582 -29.630 -6.835 1.00 28.05 O ATOM 595 CB ASP A 71 -4.142 -32.984 -7.389 1.00 29.60 C ATOM 596 CG ASP A 71 -5.106 -32.533 -8.481 1.00 41.68 C ATOM 597 OD1 ASP A 71 -4.671 -31.837 -9.417 1.00 33.95 O ATOM 598 OD2 ASP A 71 -6.300 -32.861 -8.387 1.00 36.49 O ATOM 599 N VAL A 72 -5.611 -31.125 -5.491 1.00 33.49 N ATOM 600 CA VAL A 72 -6.712 -30.236 -5.105 1.00 29.76 C ATOM 601 C VAL A 72 -6.211 -28.905 -4.549 1.00 29.69 C ATOM 602 O VAL A 72 -6.651 -27.838 -4.987 1.00 27.80 O ATOM 603 CB VAL A 72 -7.650 -30.922 -4.075 1.00 34.26 C ATOM 604 CG1 VAL A 72 -8.893 -30.084 -3.806 1.00 39.81 C ATOM 605 CG2 VAL A 72 -8.036 -32.313 -4.531 1.00 32.37 C ATOM 606 N ASN A 73 -5.290 -28.969 -3.587 1.00 26.45 N ATOM 607 CA ASN A 73 -4.765 -27.784 -2.929 1.00 28.75 C ATOM 608 C ASN A 73 -3.999 -26.861 -3.851 1.00 28.43 C ATOM 609 O ASN A 73 -4.113 -25.637 -3.766 1.00 35.51 O ATOM 610 CB ASN A 73 -3.900 -28.185 -1.730 1.00 29.18 C ATOM 611 CG ASN A 73 -4.727 -28.797 -0.608 1.00 35.71 C ATOM 612 OD1 ASN A 73 -5.906 -28.494 -0.483 1.00 35.50 O ATOM 613 ND2 ASN A 73 -4.124 -29.669 0.188 1.00 28.88 N ATOM 614 N LEU A 74 -3.199 -27.460 -4.719 1.00 24.13 N ATOM 615 CA LEU A 74 -2.459 -26.723 -5.731 1.00 33.62 C ATOM 616 C LEU A 74 -3.422 -25.987 -6.670 1.00 29.99 C ATOM 617 O LEU A 74 -3.241 -24.801 -6.951 1.00 35.59 O ATOM 618 CB LEU A 74 -1.557 -27.685 -6.532 1.00 31.39 C ATOM 619 CG LEU A 74 -0.249 -28.115 -5.835 1.00 27.06 C ATOM 620 CD1 LEU A 74 0.432 -29.274 -6.581 1.00 26.40 C ATOM 621 CD2 LEU A 74 0.706 -26.931 -5.696 1.00 23.94 C ATOM 622 N GLU A 75 -4.444 -26.682 -7.143 1.00 32.11 N ATOM 623 CA GLU A 75 -5.428 -26.039 -8.031 1.00 31.55 C ATOM 624 C GLU A 75 -6.132 -24.886 -7.303 1.00 35.18 C ATOM 625 O GLU A 75 -6.191 -23.757 -7.810 1.00 38.59 O ATOM 626 CB GLU A 75 -6.449 -27.052 -8.521 1.00 27.47 C ATOM 627 CG GLU A 75 -5.890 -28.193 -9.375 1.00 27.73 C ATOM 628 CD GLU A 75 -5.478 -27.771 -10.793 1.00 45.39 C ATOM 629 OE1 GLU A 75 -5.418 -26.549 -11.092 1.00 36.66 O ATOM 630 OE2 GLU A 75 -5.224 -28.680 -11.616 1.00 33.00 O ATOM 631 N LYS A 76 -6.637 -25.170 -6.102 1.00 35.72 N ATOM 632 CA LYS A 76 -7.246 -24.155 -5.258 1.00 35.47 C ATOM 633 C LYS A 76 -6.374 -22.929 -5.049 1.00 39.63 C ATOM 634 O LYS A 76 -6.830 -21.799 -5.218 1.00 33.97 O ATOM 635 CB LYS A 76 -7.658 -24.745 -3.911 1.00 37.08 C ATOM 636 CG LYS A 76 -8.081 -23.718 -2.879 1.00 48.30 C ATOM 637 CD LYS A 76 -8.531 -24.393 -1.577 1.00 59.85 C ATOM 638 CE LYS A 76 -8.309 -23.498 -0.364 1.00 65.10 C ATOM 639 NZ LYS A 76 -9.431 -22.539 -0.152 1.00 67.82 N ATOM 640 N CYS A 77 -5.115 -23.140 -4.668 1.00 40.06 N ATOM 641 CA CYS A 77 -4.269 -22.023 -4.279 1.00 35.70 C ATOM 642 C CYS A 77 -3.743 -21.214 -5.452 1.00 33.20 C ATOM 643 O CYS A 77 -3.573 -19.997 -5.346 1.00 38.03 O ATOM 644 CB CYS A 77 -3.129 -22.481 -3.351 1.00 38.31 C ATOM 645 SG CYS A 77 -3.735 -23.092 -1.761 1.00 41.06 S ATOM 646 N ILE A 78 -3.470 -21.888 -6.561 1.00 33.30 N ATOM 647 CA ILE A 78 -3.146 -21.192 -7.801 1.00 42.27 C ATOM 648 C ILE A 78 -4.334 -20.333 -8.251 1.00 43.16 C ATOM 649 O ILE A 78 -4.158 -19.199 -8.721 1.00 41.88 O ATOM 650 CB ILE A 78 -2.750 -22.170 -8.926 1.00 41.24 C ATOM 651 CG1 ILE A 78 -1.415 -22.858 -8.599 1.00 43.80 C ATOM 652 CG2 ILE A 78 -2.674 -21.434 -10.266 1.00 42.17 C ATOM 653 CD1 ILE A 78 -1.127 -24.083 -9.459 1.00 34.50 C ATOM 654 N GLY A 79 -5.536 -20.877 -8.092 1.00 39.99 N ATOM 655 CA GLY A 79 -6.763 -20.138 -8.393 1.00 42.80 C ATOM 656 C GLY A 79 -6.767 -18.808 -7.663 1.00 49.18 C ATOM 657 O GLY A 79 -6.938 -17.757 -8.282 1.00 51.95 O ATOM 658 N GLU A 80 -6.551 -18.845 -6.349 1.00 46.34 N ATOM 659 CA GLU A 80 -6.589 -17.631 -5.540 1.00 47.65 C ATOM 660 C GLU A 80 -5.469 -16.643 -5.875 1.00 49.89 C ATOM 661 O GLU A 80 -5.686 -15.436 -5.906 1.00 57.82 O ATOM 662 CB GLU A 80 -6.575 -17.961 -4.048 1.00 48.36 C ATOM 663 CG GLU A 80 -7.427 -19.151 -3.659 1.00 47.97 C ATOM 664 CD GLU A 80 -7.502 -19.345 -2.154 1.00 53.62 C ATOM 665 OE1 GLU A 80 -6.746 -18.667 -1.413 1.00 53.19 O ATOM 666 OE2 GLU A 80 -8.317 -20.184 -1.709 1.00 60.14 O ATOM 667 N CYS A 81 -4.270 -17.148 -6.117 1.00 52.08 N ATOM 668 CA CYS A 81 -3.141 -16.277 -6.397 1.00 52.42 C ATOM 669 C CYS A 81 -3.315 -15.573 -7.744 1.00 53.56 C ATOM 670 O CYS A 81 -2.638 -14.586 -8.041 1.00 54.45 O ATOM 671 CB CYS A 81 -1.827 -17.059 -6.346 1.00 45.11 C ATOM 672 SG CYS A 81 -1.321 -17.825 -7.900 1.00 50.49 S ATOM 673 N VAL A 82 -4.238 -16.080 -8.550 1.00 58.49 N ATOM 674 CA VAL A 82 -4.512 -15.499 -9.862 1.00 62.10 C ATOM 675 C VAL A 82 -5.474 -14.314 -9.803 1.00 63.88 C ATOM 676 O VAL A 82 -5.445 -13.430 -10.659 1.00 67.05 O ATOM 677 CB VAL A 82 -5.066 -16.550 -10.826 1.00 58.48 C ATOM 678 CG1 VAL A 82 -5.765 -15.872 -11.988 1.00 64.57 C ATOM 679 CG2 VAL A 82 -3.941 -17.448 -11.313 1.00 52.39 C ATOM 680 N GLN A 83 -6.325 -14.305 -8.785 1.00 65.05 N ATOM 681 CA GLN A 83 -7.326 -13.267 -8.634 1.00 64.71 C ATOM 682 C GLN A 83 -6.822 -12.127 -7.755 1.00 67.13 C ATOM 683 O GLN A 83 -7.600 -11.254 -7.358 1.00 68.59 O ATOM 684 CB GLN A 83 -8.604 -13.858 -8.041 1.00 64.33 C ATOM 685 CG GLN A 83 -9.013 -15.169 -8.681 1.00 66.73 C ATOM 686 CD GLN A 83 -10.387 -15.629 -8.240 1.00 76.36 C ATOM 687 OE1 GLN A 83 -10.577 -16.061 -7.102 1.00 71.98 O ATOM 688 NE2 GLN A 83 -11.356 -15.541 -9.145 1.00 74.77 N ATOM 689 N VAL A 84 -5.524 -12.140 -7.444 1.00 63.51 N ATOM 690 CA VAL A 84 -4.904 -11.014 -6.749 1.00 61.28 C ATOM 691 C VAL A 84 -3.798 -10.379 -7.587 1.00 62.23 C ATOM 692 O VAL A 84 -3.338 -10.969 -8.566 1.00 61.09 O ATOM 693 CB VAL A 84 -4.374 -11.399 -5.346 1.00 64.21 C ATOM 694 CG1 VAL A 84 -5.460 -12.106 -4.539 1.00 64.25 C ATOM 695 CG2 VAL A 84 -3.119 -12.261 -5.455 1.00 59.17 C ATOM 696 N PRO A 85 -3.384 -9.159 -7.214 1.00 63.48 N ATOM 697 CA PRO A 85 -2.385 -8.388 -7.956 1.00 65.98 C ATOM 698 C PRO A 85 -0.983 -9.000 -7.877 1.00 68.27 C ATOM 699 O PRO A 85 -0.673 -9.722 -6.926 1.00 67.72 O ATOM 700 CB PRO A 85 -2.410 -7.015 -7.264 1.00 66.55 C ATOM 701 CG PRO A 85 -3.663 -7.009 -6.426 1.00 64.18 C ATOM 702 CD PRO A 85 -3.878 -8.429 -6.036 1.00 62.34 C ATOM 703 N THR A 86 -0.146 -8.691 -8.867 1.00 69.01 N ATOM 704 CA THR A 86 1.120 -9.393 -9.083 1.00 67.30 C ATOM 705 C THR A 86 2.187 -9.108 -8.030 1.00 68.99 C ATOM 706 O THR A 86 3.254 -9.724 -8.041 1.00 69.54 O ATOM 707 CB THR A 86 1.700 -9.094 -10.480 1.00 68.71 C ATOM 708 OG1 THR A 86 3.037 -9.604 -10.570 1.00 65.17 O ATOM 709 CG2 THR A 86 1.717 -7.593 -10.742 1.00 73.39 C ATOM 710 N SER A 87 1.894 -8.178 -7.127 1.00 70.37 N ATOM 711 CA SER A 87 2.793 -7.875 -6.020 1.00 70.01 C ATOM 712 C SER A 87 2.428 -8.680 -4.777 1.00 66.25 C ATOM 713 O SER A 87 3.245 -8.848 -3.872 1.00 60.24 O ATOM 714 CB SER A 87 2.767 -6.378 -5.702 1.00 73.25 C ATOM 715 OG SER A 87 1.620 -6.038 -4.943 1.00 79.62 O ATOM 716 N GLU A 88 1.214 -9.188 -4.780 1.00 63.12 N ATOM 717 CA GLU A 88 0.699 -9.953 -3.681 1.00 59.66 C ATOM 718 C GLU A 88 0.633 -11.468 -3.944 1.00 55.52 C ATOM 719 O GLU A 88 0.334 -12.246 -3.060 1.00 52.80 O ATOM 720 CB GLU A 88 -0.670 -9.425 -3.344 1.00 59.06 C ATOM 721 CG GLU A 88 -1.114 -9.774 -1.978 1.00 66.93 C ATOM 722 CD GLU A 88 -2.404 -9.156 -1.668 1.00 64.70 C ATOM 723 OE1 GLU A 88 -2.550 -7.980 -1.969 1.00 73.06 O ATOM 724 OE2 GLU A 88 -3.270 -9.839 -1.135 1.00 71.05 O ATOM 725 N ARG A 89 0.909 -11.863 -5.170 1.00 44.76 N ATOM 726 CA ARG A 89 0.463 -13.130 -5.714 1.00 45.08 C ATOM 727 C ARG A 89 1.275 -14.292 -5.196 1.00 47.78 C ATOM 728 O ARG A 89 0.737 -15.263 -4.713 1.00 48.10 O ATOM 729 CB ARG A 89 0.619 -13.103 -7.215 1.00 31.74 C ATOM 730 CG ARG A 89 0.176 -14.341 -7.902 1.00 40.04 C ATOM 731 CD ARG A 89 0.372 -14.182 -9.373 1.00 41.31 C ATOM 732 NE ARG A 89 0.052 -12.814 -9.710 1.00 59.51 N ATOM 733 CZ ARG A 89 -0.827 -12.455 -10.620 1.00 68.98 C ATOM 734 NH1 ARG A 89 -0.455 -12.352 -11.882 1.00 62.72 N ATOM 735 NH2 ARG A 89 -2.084 -12.207 -10.250 1.00 82.12 N ATOM 736 N ALA A 90 2.584 -14.183 -5.332 1.00 49.67 N ATOM 737 CA ALA A 90 3.485 -15.181 -4.769 1.00 48.24 C ATOM 738 C ALA A 90 3.207 -15.400 -3.285 1.00 46.59 C ATOM 739 O ALA A 90 3.270 -16.525 -2.791 1.00 47.14 O ATOM 740 CB ALA A 90 4.933 -14.771 -4.985 1.00 47.65 C ATOM 741 N HIS A 91 2.900 -14.316 -2.580 1.00 47.84 N ATOM 742 CA HIS A 91 2.670 -14.378 -1.142 1.00 46.13 C ATOM 743 C HIS A 91 1.336 -15.045 -0.825 1.00 44.32 C ATOM 744 O HIS A 91 1.205 -15.748 0.177 1.00 45.43 O ATOM 745 CB HIS A 91 2.715 -12.975 -0.531 1.00 46.04 C ATOM 746 CG HIS A 91 2.766 -12.969 0.965 1.00 47.76 C ATOM 747 ND1 HIS A 91 2.616 -11.820 1.710 1.00 44.40 N ATOM 748 CD2 HIS A 91 2.951 -13.973 1.855 1.00 41.72 C ATOM 749 CE1 HIS A 91 2.707 -12.115 2.995 1.00 45.01 C ATOM 750 NE2 HIS A 91 2.909 -13.415 3.110 1.00 49.64 N ATOM 751 N VAL A 92 0.348 -14.820 -1.685 1.00 51.38 N ATOM 752 CA VAL A 92 -0.976 -15.422 -1.511 1.00 45.50 C ATOM 753 C VAL A 92 -1.001 -16.936 -1.790 1.00 43.35 C ATOM 754 O VAL A 92 -1.624 -17.704 -1.057 1.00 47.10 O ATOM 755 CB VAL A 92 -2.057 -14.673 -2.328 1.00 48.77 C ATOM 756 CG1 VAL A 92 -3.379 -15.459 -2.336 1.00 40.92 C ATOM 757 CG2 VAL A 92 -2.257 -13.260 -1.758 1.00 46.62 C ATOM 758 N PHE A 93 -0.322 -17.360 -2.850 1.00 46.61 N ATOM 759 CA PHE A 93 -0.100 -18.781 -3.107 1.00 41.26 C ATOM 760 C PHE A 93 0.630 -19.491 -1.944 1.00 43.88 C ATOM 761 O PHE A 93 0.241 -20.576 -1.497 1.00 39.57 O ATOM 762 CB PHE A 93 0.770 -18.915 -4.353 1.00 43.83 C ATOM 763 CG PHE A 93 1.102 -20.332 -4.725 1.00 43.95 C ATOM 764 CD1 PHE A 93 0.101 -21.235 -5.036 1.00 43.60 C ATOM 765 CD2 PHE A 93 2.427 -20.754 -4.780 1.00 45.20 C ATOM 766 CE1 PHE A 93 0.407 -22.542 -5.388 1.00 42.61 C ATOM 767 CE2 PHE A 93 2.745 -22.057 -5.132 1.00 43.62 C ATOM 768 CZ PHE A 93 1.737 -22.956 -5.439 1.00 43.90 C ATOM 769 N TYR A 94 1.683 -18.851 -1.453 1.00 41.25 N ATOM 770 CA TYR A 94 2.409 -19.308 -0.272 1.00 36.20 C ATOM 771 C TYR A 94 1.441 -19.502 0.896 1.00 39.04 C ATOM 772 O TYR A 94 1.275 -20.617 1.405 1.00 35.73 O ATOM 773 CB TYR A 94 3.455 -18.236 0.050 1.00 40.58 C ATOM 774 CG TYR A 94 4.284 -18.417 1.303 1.00 36.78 C ATOM 775 CD1 TYR A 94 5.344 -19.312 1.343 1.00 45.52 C ATOM 776 CD2 TYR A 94 4.039 -17.643 2.425 1.00 38.17 C ATOM 777 CE1 TYR A 94 6.119 -19.451 2.483 1.00 45.30 C ATOM 778 CE2 TYR A 94 4.796 -17.770 3.555 1.00 50.63 C ATOM 779 CZ TYR A 94 5.835 -18.672 3.583 1.00 46.46 C ATOM 780 OH TYR A 94 6.586 -18.768 4.728 1.00 40.38 O ATOM 781 N LYS A 95 0.808 -18.406 1.321 1.00 47.96 N ATOM 782 CA LYS A 95 -0.151 -18.407 2.432 1.00 46.28 C ATOM 783 C LYS A 95 -1.232 -19.491 2.295 1.00 40.19 C ATOM 784 O LYS A 95 -1.561 -20.204 3.256 1.00 33.33 O ATOM 785 CB LYS A 95 -0.830 -17.029 2.541 1.00 50.68 C ATOM 786 CG LYS A 95 0.034 -15.909 3.136 1.00 57.98 C ATOM 787 CD LYS A 95 -0.762 -14.585 3.282 1.00 49.77 C ATOM 788 CE LYS A 95 -0.577 -13.665 2.070 1.00 51.42 C ATOM 789 NZ LYS A 95 -1.514 -12.480 2.042 1.00 51.54 N ATOM 790 N CYS A 96 -1.798 -19.602 1.102 1.00 39.03 N ATOM 791 CA CYS A 96 -2.906 -20.518 0.886 1.00 40.79 C ATOM 792 C CYS A 96 -2.435 -21.961 1.090 1.00 35.42 C ATOM 793 O CYS A 96 -3.139 -22.788 1.670 1.00 34.27 O ATOM 794 CB CYS A 96 -3.500 -20.319 -0.524 1.00 35.88 C ATOM 795 SG CYS A 96 -4.792 -21.522 -0.999 1.00 45.72 S ATOM 796 N LEU A 97 -1.235 -22.254 0.599 1.00 37.37 N ATOM 797 CA LEU A 97 -0.700 -23.606 0.650 1.00 35.05 C ATOM 798 C LEU A 97 -0.508 -23.983 2.106 1.00 32.62 C ATOM 799 O LEU A 97 -0.833 -25.096 2.515 1.00 29.72 O ATOM 800 CB LEU A 97 0.652 -23.676 -0.079 1.00 37.13 C ATOM 801 CG LEU A 97 0.588 -23.950 -1.588 1.00 49.63 C ATOM 802 CD1 LEU A 97 1.990 -24.097 -2.161 1.00 40.03 C ATOM 803 CD2 LEU A 97 -0.284 -25.179 -1.924 1.00 39.16 C ATOM 804 N LEU A 98 0.020 -23.043 2.884 1.00 31.55 N ATOM 805 CA LEU A 98 0.377 -23.333 4.262 1.00 32.93 C ATOM 806 C LEU A 98 -0.857 -23.603 5.102 1.00 36.87 C ATOM 807 O LEU A 98 -0.821 -24.449 5.987 1.00 38.69 O ATOM 808 CB LEU A 98 1.289 -22.253 4.868 1.00 38.29 C ATOM 809 CG LEU A 98 2.748 -22.234 4.363 1.00 38.75 C ATOM 810 CD1 LEU A 98 3.351 -20.836 4.416 1.00 35.69 C ATOM 811 CD2 LEU A 98 3.614 -23.212 5.140 1.00 28.70 C ATOM 812 N LYS A 99 -1.954 -22.915 4.784 1.00 42.82 N ATOM 813 CA LYS A 99 -3.257 -23.160 5.416 1.00 48.35 C ATOM 814 C LYS A 99 -3.895 -24.494 5.035 1.00 42.61 C ATOM 815 O LYS A 99 -4.633 -25.079 5.823 1.00 46.87 O ATOM 816 CB LYS A 99 -4.238 -22.025 5.107 1.00 49.03 C ATOM 817 CG LYS A 99 -3.822 -20.660 5.654 1.00 59.39 C ATOM 818 CD LYS A 99 -4.749 -19.545 5.130 1.00 62.39 C ATOM 819 CE LYS A 99 -4.203 -18.157 5.480 1.00 78.72 C ATOM 820 NZ LYS A 99 -5.258 -17.099 5.472 1.00 84.59 N ATOM 821 N SER A 100 -3.615 -24.974 3.828 1.00 38.82 N ATOM 822 CA SER A 100 -4.219 -26.200 3.360 1.00 28.19 C ATOM 823 C SER A 100 -3.582 -27.387 4.038 1.00 32.73 C ATOM 824 O SER A 100 -2.594 -27.260 4.744 1.00 35.66 O ATOM 825 CB SER A 100 -4.067 -26.344 1.844 1.00 32.04 C ATOM 826 OG SER A 100 -2.729 -26.645 1.471 1.00 30.57 O ATOM 827 N THR A 101 -4.145 -28.557 3.796 1.00 29.06 N ATOM 828 CA THR A 101 -3.557 -29.789 4.280 1.00 31.18 C ATOM 829 C THR A 101 -2.207 -30.105 3.601 1.00 31.22 C ATOM 830 O THR A 101 -1.444 -30.953 4.091 1.00 32.18 O ATOM 831 CB THR A 101 -4.535 -30.959 4.095 1.00 31.13 C ATOM 832 OG1 THR A 101 -4.823 -31.136 2.701 1.00 33.85 O ATOM 833 CG2 THR A 101 -5.848 -30.691 4.832 1.00 31.32 C ATOM 834 N THR A 102 -1.916 -29.441 2.474 1.00 28.67 N ATOM 835 CA THR A 102 -0.580 -29.533 1.849 1.00 23.87 C ATOM 836 C THR A 102 0.503 -28.758 2.613 1.00 29.83 C ATOM 837 O THR A 102 1.689 -28.948 2.383 1.00 31.04 O ATOM 838 CB THR A 102 -0.626 -29.118 0.366 1.00 23.74 C ATOM 839 OG1 THR A 102 -1.488 -30.028 -0.323 1.00 28.64 O ATOM 840 CG2 THR A 102 0.759 -29.154 -0.262 1.00 27.64 C ATOM 841 N GLY A 103 0.089 -27.928 3.567 1.00 27.51 N ATOM 842 CA GLY A 103 1.017 -27.140 4.355 1.00 31.40 C ATOM 843 C GLY A 103 2.087 -28.010 4.979 1.00 28.78 C ATOM 844 O GLY A 103 3.280 -27.696 4.899 1.00 30.29 O ATOM 845 N ARG A 104 1.667 -29.122 5.581 1.00 25.42 N ATOM 846 CA ARG A 104 2.605 -29.982 6.318 1.00 29.62 C ATOM 847 C ARG A 104 3.787 -30.321 5.406 1.00 30.10 C ATOM 848 O ARG A 104 4.976 -30.202 5.769 1.00 23.28 O ATOM 849 CB ARG A 104 1.895 -31.282 6.692 1.00 26.41 C ATOM 850 CG ARG A 104 2.770 -32.348 7.322 1.00 25.23 C ATOM 851 CD ARG A 104 2.006 -33.679 7.467 1.00 25.96 C ATOM 852 NE ARG A 104 2.801 -34.713 8.121 1.00 30.56 N ATOM 853 CZ ARG A 104 2.542 -36.010 8.013 1.00 37.45 C ATOM 854 NH1 ARG A 104 1.526 -36.422 7.257 1.00 33.97 N ATOM 855 NH2 ARG A 104 3.291 -36.895 8.656 1.00 33.66 N ATOM 856 N THR A 105 3.444 -30.788 4.219 1.00 26.47 N ATOM 857 CA THR A 105 4.436 -31.308 3.292 1.00 30.24 C ATOM 858 C THR A 105 5.123 -30.190 2.491 1.00 26.37 C ATOM 859 O THR A 105 6.311 -30.294 2.137 1.00 27.32 O ATOM 860 CB THR A 105 3.779 -32.353 2.383 1.00 33.18 C ATOM 861 OG1 THR A 105 3.267 -33.409 3.208 1.00 31.20 O ATOM 862 CG2 THR A 105 4.776 -32.944 1.396 1.00 27.28 C ATOM 863 N PHE A 106 4.383 -29.129 2.180 1.00 23.67 N ATOM 864 CA PHE A 106 4.982 -27.986 1.501 1.00 26.58 C ATOM 865 C PHE A 106 6.178 -27.451 2.284 1.00 31.07 C ATOM 866 O PHE A 106 7.213 -27.150 1.695 1.00 24.56 O ATOM 867 CB PHE A 106 3.962 -26.861 1.283 1.00 26.48 C ATOM 868 CG PHE A 106 4.564 -25.574 0.754 1.00 27.89 C ATOM 869 CD1 PHE A 106 5.242 -25.549 -0.455 1.00 25.84 C ATOM 870 CD2 PHE A 106 4.385 -24.386 1.431 1.00 24.72 C ATOM 871 CE1 PHE A 106 5.786 -24.365 -0.954 1.00 28.74 C ATOM 872 CE2 PHE A 106 4.915 -23.195 0.940 1.00 32.62 C ATOM 873 CZ PHE A 106 5.616 -23.187 -0.260 1.00 29.45 C ATOM 874 N LYS A 107 6.023 -27.289 3.601 1.00 27.29 N ATOM 875 CA LYS A 107 7.144 -26.892 4.462 1.00 28.91 C ATOM 876 C LYS A 107 8.385 -27.782 4.321 1.00 21.25 C ATOM 877 O LYS A 107 9.489 -27.294 4.324 1.00 26.42 O ATOM 878 CB LYS A 107 6.725 -26.838 5.944 1.00 32.41 C ATOM 879 CG LYS A 107 5.740 -25.715 6.265 1.00 38.11 C ATOM 880 CD LYS A 107 5.326 -25.715 7.753 1.00 35.70 C ATOM 881 CE LYS A 107 4.085 -26.574 7.963 1.00 42.35 C ATOM 882 NZ LYS A 107 3.464 -26.396 9.307 1.00 51.72 N ATOM 883 N LYS A 108 8.189 -29.092 4.192 1.00 23.44 N ATOM 884 CA LYS A 108 9.297 -30.004 4.029 1.00 26.42 C ATOM 885 C LYS A 108 9.961 -29.814 2.662 1.00 29.52 C ATOM 886 O LYS A 108 11.168 -29.756 2.573 1.00 23.88 O ATOM 887 CB LYS A 108 8.802 -31.447 4.181 1.00 29.57 C ATOM 888 CG LYS A 108 8.156 -31.691 5.548 1.00 23.18 C ATOM 889 CD LYS A 108 7.630 -33.127 5.668 1.00 26.69 C ATOM 890 CE LYS A 108 6.879 -33.307 7.014 1.00 29.53 C ATOM 891 NZ LYS A 108 6.396 -34.704 7.085 1.00 26.78 N ATOM 892 N VAL A 109 9.155 -29.724 1.609 1.00 28.00 N ATOM 893 CA VAL A 109 9.651 -29.527 0.246 1.00 32.56 C ATOM 894 C VAL A 109 10.403 -28.211 0.134 1.00 30.28 C ATOM 895 O VAL A 109 11.450 -28.127 -0.493 1.00 25.65 O ATOM 896 CB VAL A 109 8.484 -29.532 -0.772 1.00 29.77 C ATOM 897 CG1 VAL A 109 8.990 -29.066 -2.160 1.00 30.39 C ATOM 898 CG2 VAL A 109 7.941 -30.954 -0.889 1.00 26.45 C ATOM 899 N PHE A 110 9.840 -27.186 0.752 1.00 27.80 N ATOM 900 CA PHE A 110 10.473 -25.870 0.840 1.00 30.35 C ATOM 901 C PHE A 110 11.841 -25.944 1.553 1.00 29.29 C ATOM 902 O PHE A 110 12.832 -25.539 0.983 1.00 30.65 O ATOM 903 CB PHE A 110 9.544 -24.883 1.556 1.00 31.61 C ATOM 904 CG PHE A 110 9.944 -23.437 1.395 1.00 29.94 C ATOM 905 CD1 PHE A 110 11.123 -22.962 1.962 1.00 43.33 C ATOM 906 CD2 PHE A 110 9.145 -22.555 0.701 1.00 35.50 C ATOM 907 CE1 PHE A 110 11.491 -21.634 1.828 1.00 49.26 C ATOM 908 CE2 PHE A 110 9.511 -21.230 0.558 1.00 40.35 C ATOM 909 CZ PHE A 110 10.681 -20.769 1.122 1.00 46.41 C ATOM 910 N ASP A 111 11.882 -26.461 2.783 1.00 26.83 N ATOM 911 CA ASP A 111 13.161 -26.694 3.484 1.00 28.40 C ATOM 912 C ASP A 111 14.200 -27.442 2.638 1.00 28.59 C ATOM 913 O ASP A 111 15.390 -27.053 2.578 1.00 23.46 O ATOM 914 CB ASP A 111 12.945 -27.464 4.793 1.00 26.08 C ATOM 915 CG ASP A 111 12.321 -26.606 5.910 1.00 33.46 C ATOM 916 OD1 ASP A 111 12.099 -25.395 5.727 1.00 28.85 O ATOM 917 OD2 ASP A 111 12.056 -27.167 6.988 1.00 33.68 O ATOM 918 N LEU A 112 13.771 -28.544 2.022 1.00 22.37 N ATOM 919 CA LEU A 112 14.660 -29.369 1.216 1.00 22.05 C ATOM 920 C LEU A 112 15.211 -28.573 0.043 1.00 25.07 C ATOM 921 O LEU A 112 16.416 -28.605 -0.230 1.00 27.04 O ATOM 922 CB LEU A 112 13.928 -30.634 0.716 1.00 27.22 C ATOM 923 CG LEU A 112 13.804 -31.739 1.790 1.00 27.88 C ATOM 924 CD1 LEU A 112 12.703 -32.735 1.374 1.00 28.94 C ATOM 925 CD2 LEU A 112 15.164 -32.476 1.841 1.00 25.65 C ATOM 926 N MET A 113 14.345 -27.832 -0.626 1.00 25.56 N ATOM 927 CA MET A 113 14.793 -27.129 -1.808 1.00 29.39 C ATOM 928 C MET A 113 15.736 -25.987 -1.470 1.00 31.27 C ATOM 929 O MET A 113 16.630 -25.655 -2.252 1.00 30.10 O ATOM 930 CB MET A 113 13.637 -26.573 -2.612 1.00 28.23 C ATOM 931 CG MET A 113 14.151 -25.763 -3.801 1.00 37.84 C ATOM 932 SD MET A 113 15.067 -26.838 -4.933 1.00 46.02 S ATOM 933 CE MET A 113 13.740 -28.046 -5.186 1.00 41.04 C ATOM 934 N GLU A 114 15.505 -25.365 -0.324 1.00 27.33 N ATOM 935 CA GLU A 114 16.394 -24.334 0.191 1.00 29.76 C ATOM 936 C GLU A 114 17.813 -24.810 0.443 1.00 25.63 C ATOM 937 O GLU A 114 18.786 -24.183 -0.001 1.00 28.92 O ATOM 938 CB GLU A 114 15.818 -23.715 1.473 1.00 33.57 C ATOM 939 CG GLU A 114 16.718 -22.643 2.028 1.00 35.22 C ATOM 940 CD GLU A 114 16.156 -21.969 3.263 1.00 48.49 C ATOM 941 OE1 GLU A 114 15.115 -22.435 3.793 1.00 52.15 O ATOM 942 OE2 GLU A 114 16.772 -20.970 3.704 1.00 44.29 O ATOM 943 N LEU A 115 17.940 -25.924 1.152 1.00 26.80 N ATOM 944 CA LEU A 115 19.240 -26.512 1.424 1.00 25.32 C ATOM 945 C LEU A 115 19.871 -27.198 0.225 1.00 29.45 C ATOM 946 O LEU A 115 21.100 -27.169 0.040 1.00 27.89 O ATOM 947 CB LEU A 115 19.142 -27.473 2.599 1.00 29.55 C ATOM 948 CG LEU A 115 18.712 -26.765 3.896 1.00 38.15 C ATOM 949 CD1 LEU A 115 19.141 -27.554 5.109 1.00 34.73 C ATOM 950 CD2 LEU A 115 19.246 -25.337 3.961 1.00 43.02 C ATOM 951 N LYS A 116 19.054 -27.818 -0.615 1.00 25.76 N ATOM 952 CA LYS A 116 19.589 -28.289 -1.903 1.00 30.34 C ATOM 953 C LYS A 116 20.225 -27.162 -2.723 1.00 34.57 C ATOM 954 O LYS A 116 21.341 -27.306 -3.252 1.00 37.64 O ATOM 955 CB LYS A 116 18.502 -28.995 -2.724 1.00 25.93 C ATOM 956 CG LYS A 116 18.204 -30.364 -2.191 1.00 30.45 C ATOM 957 CD LYS A 116 17.080 -31.047 -2.961 1.00 39.08 C ATOM 958 CE LYS A 116 16.489 -32.141 -2.095 1.00 46.41 C ATOM 959 NZ LYS A 116 15.759 -33.146 -2.900 1.00 49.11 N ATOM 960 N LYS A 117 19.511 -26.047 -2.858 1.00 33.46 N ATOM 961 CA LYS A 117 20.000 -24.952 -3.691 1.00 36.49 C ATOM 962 C LYS A 117 21.235 -24.307 -3.066 1.00 40.24 C ATOM 963 O LYS A 117 22.091 -23.765 -3.767 1.00 40.65 O ATOM 964 CB LYS A 117 18.919 -23.905 -3.926 1.00 38.04 C ATOM 965 CG LYS A 117 17.768 -24.397 -4.762 1.00 46.45 C ATOM 966 CD LYS A 117 16.946 -23.236 -5.306 1.00 60.93 C ATOM 967 CE LYS A 117 16.160 -23.648 -6.555 1.00 64.52 C ATOM 968 NZ LYS A 117 17.031 -23.695 -7.765 1.00 53.86 N ATOM 969 N ALA A 118 21.326 -24.383 -1.745 1.00 35.26 N ATOM 970 CA ALA A 118 22.447 -23.796 -1.016 1.00 43.62 C ATOM 971 C ALA A 118 23.654 -24.739 -1.061 1.00 40.02 C ATOM 972 O ALA A 118 24.776 -24.347 -0.764 1.00 34.15 O ATOM 973 CB ALA A 118 22.044 -23.491 0.419 1.00 31.65 C ATOM 974 N GLY A 119 23.412 -25.984 -1.457 1.00 38.09 N ATOM 975 CA GLY A 119 24.492 -26.941 -1.666 1.00 34.07 C ATOM 976 C GLY A 119 24.891 -27.600 -0.371 1.00 36.66 C ATOM 977 O GLY A 119 26.004 -28.113 -0.248 1.00 41.82 O ATOM 978 N LYS A 120 23.968 -27.585 0.594 1.00 35.06 N ATOM 979 CA LYS A 120 24.193 -28.117 1.938 1.00 32.63 C ATOM 980 C LYS A 120 23.798 -29.570 2.063 1.00 35.88 C ATOM 981 O LYS A 120 24.138 -30.239 3.049 1.00 35.50 O ATOM 982 CB LYS A 120 23.343 -27.317 2.946 1.00 38.52 C ATOM 983 CG LYS A 120 23.631 -25.824 3.000 1.00 41.91 C ATOM 984 CD LYS A 120 25.125 -25.560 3.093 1.00 47.57 C ATOM 985 CE LYS A 120 25.413 -24.071 3.281 1.00 54.27 C ATOM 986 NZ LYS A 120 26.865 -23.808 3.538 1.00 69.28 N ATOM 987 N VAL A 121 23.023 -30.043 1.085 1.00 30.87 N ATOM 988 CA VAL A 121 22.496 -31.392 1.096 1.00 32.09 C ATOM 989 C VAL A 121 22.440 -31.825 -0.385 1.00 37.28 C ATOM 990 O VAL A 121 22.316 -30.956 -1.261 1.00 30.85 O ATOM 991 CB VAL A 121 21.120 -31.372 1.832 1.00 40.47 C ATOM 992 CG1 VAL A 121 19.966 -31.013 0.912 1.00 27.62 C ATOM 993 CG2 VAL A 121 20.889 -32.627 2.585 1.00 48.75 C ATOM 994 N PRO A 122 22.582 -33.144 -0.680 1.00 32.95 N ATOM 995 CA PRO A 122 22.595 -33.530 -2.097 1.00 38.13 C ATOM 996 C PRO A 122 21.211 -33.459 -2.721 1.00 37.18 C ATOM 997 O PRO A 122 20.203 -33.400 -2.005 1.00 37.19 O ATOM 998 CB PRO A 122 23.100 -34.981 -2.074 1.00 43.16 C ATOM 999 CG PRO A 122 22.733 -35.494 -0.719 1.00 42.31 C ATOM 1000 CD PRO A 122 22.719 -34.308 0.219 1.00 32.79 C ATOM 1001 N GLN A 123 21.168 -33.484 -4.052 1.00 38.67 N ATOM 1002 CA GLN A 123 19.937 -33.253 -4.786 1.00 35.63 C ATOM 1003 C GLN A 123 18.857 -34.285 -4.520 1.00 33.14 C ATOM 1004 O GLN A 123 17.677 -33.980 -4.647 1.00 30.06 O ATOM 1005 CB GLN A 123 20.207 -33.159 -6.292 1.00 32.35 C ATOM 1006 CG GLN A 123 21.090 -31.973 -6.674 1.00 48.71 C ATOM 1007 CD GLN A 123 20.485 -30.612 -6.317 1.00 53.49 C ATOM 1008 OE1 GLN A 123 19.306 -30.342 -6.575 1.00 53.77 O ATOM 1009 NE2 GLN A 123 21.308 -29.742 -5.745 1.00 62.19 N ATOM 1010 N HIS A 124 19.242 -35.513 -4.172 1.00 36.32 N ATOM 1011 CA HIS A 124 18.217 -36.562 -3.965 1.00 33.82 C ATOM 1012 C HIS A 124 17.905 -36.707 -2.485 1.00 34.12 C ATOM 1013 O HIS A 124 17.178 -37.618 -2.080 1.00 32.56 O ATOM 1014 CB HIS A 124 18.723 -37.908 -4.468 1.00 35.73 C ATOM 1015 CG HIS A 124 19.855 -38.442 -3.655 1.00 31.64 C ATOM 1016 ND1 HIS A 124 21.059 -37.783 -3.540 1.00 32.84 N ATOM 1017 CD2 HIS A 124 19.959 -39.556 -2.891 1.00 27.45 C ATOM 1018 CE1 HIS A 124 21.872 -38.486 -2.772 1.00 35.85 C ATOM 1019 NE2 HIS A 124 21.223 -39.561 -2.355 1.00 31.06 N ATOM 1020 N GLN A 125 18.448 -35.799 -1.680 1.00 38.37 N ATOM 1021 CA GLN A 125 18.116 -35.749 -0.254 1.00 36.13 C ATOM 1022 C GLN A 125 16.631 -35.887 0.081 1.00 32.91 C ATOM 1023 O GLN A 125 15.788 -35.144 -0.415 1.00 38.38 O ATOM 1024 CB GLN A 125 18.665 -34.473 0.402 1.00 28.20 C ATOM 1025 CG GLN A 125 18.322 -34.396 1.907 1.00 27.81 C ATOM 1026 CD GLN A 125 19.165 -35.339 2.735 1.00 26.34 C ATOM 1027 OE1 GLN A 125 20.370 -35.426 2.546 1.00 29.53 O ATOM 1028 NE2 GLN A 125 18.532 -36.065 3.657 1.00 29.39 N ATOM 1029 N ARG A 126 16.322 -36.801 0.998 1.00 37.76 N ATOM 1030 CA ARG A 126 14.963 -36.992 1.461 1.00 34.43 C ATOM 1031 C ARG A 126 14.708 -36.352 2.842 1.00 36.61 C ATOM 1032 O ARG A 126 15.643 -35.988 3.533 1.00 28.67 O ATOM 1033 CB ARG A 126 14.681 -38.482 1.540 1.00 32.77 C ATOM 1034 CG ARG A 126 14.730 -39.190 0.214 1.00 42.81 C ATOM 1035 CD ARG A 126 14.332 -40.634 0.384 1.00 45.85 C ATOM 1036 NE ARG A 126 12.966 -40.864 -0.080 1.00 89.08 N ATOM 1037 CZ ARG A 126 12.561 -40.683 -1.337 1.00 91.51 C ATOM 1038 NH1 ARG A 126 13.417 -40.263 -2.266 1.00 89.37 N ATOM 1039 NH2 ARG A 126 11.295 -40.918 -1.664 1.00 86.34 N ATOM 1040 N TYR A 127 13.441 -36.229 3.242 1.00 32.39 N ATOM 1041 CA TYR A 127 13.119 -35.607 4.512 1.00 32.17 C ATOM 1042 C TYR A 127 13.307 -36.559 5.667 1.00 35.53 C ATOM 1043 O TYR A 127 12.346 -37.140 6.171 1.00 36.73 O ATOM 1044 CB TYR A 127 11.711 -35.007 4.530 1.00 28.77 C ATOM 1045 CG TYR A 127 11.540 -33.939 5.592 1.00 30.58 C ATOM 1046 CD1 TYR A 127 11.978 -32.645 5.374 1.00 32.69 C ATOM 1047 CD2 TYR A 127 10.984 -34.240 6.832 1.00 34.60 C ATOM 1048 CE1 TYR A 127 11.834 -31.669 6.355 1.00 27.32 C ATOM 1049 CE2 TYR A 127 10.834 -33.267 7.819 1.00 32.07 C ATOM 1050 CZ TYR A 127 11.263 -31.978 7.563 1.00 38.63 C ATOM 1051 OH TYR A 127 11.143 -30.986 8.518 1.00 40.22 O ATOM 1052 N THR A 128 14.549 -36.694 6.112 1.00 29.34 N ATOM 1053 CA THR A 128 14.897 -37.704 7.098 1.00 28.62 C ATOM 1054 C THR A 128 15.103 -37.075 8.476 1.00 26.97 C ATOM 1055 O THR A 128 15.089 -35.855 8.603 1.00 30.44 O ATOM 1056 CB THR A 128 16.165 -38.450 6.660 1.00 24.05 C ATOM 1057 OG1 THR A 128 17.275 -37.542 6.646 1.00 29.27 O ATOM 1058 CG2 THR A 128 15.987 -38.989 5.219 1.00 29.52 C ATOM 1059 N ALA A 129 15.266 -37.918 9.495 1.00 26.71 N ATOM 1060 CA ALA A 129 15.647 -37.465 10.816 1.00 29.57 C ATOM 1061 C ALA A 129 16.961 -36.683 10.762 1.00 33.70 C ATOM 1062 O ALA A 129 17.082 -35.618 11.382 1.00 32.09 O ATOM 1063 CB ALA A 129 15.759 -38.646 11.764 1.00 35.28 C ATOM 1064 N GLU A 130 17.941 -37.182 10.001 1.00 27.99 N ATOM 1065 CA GLU A 130 19.181 -36.418 9.810 1.00 25.78 C ATOM 1066 C GLU A 130 18.901 -35.041 9.207 1.00 26.91 C ATOM 1067 O GLU A 130 19.490 -34.026 9.636 1.00 26.25 O ATOM 1068 CB GLU A 130 20.192 -37.179 8.925 1.00 31.70 C ATOM 1069 CG GLU A 130 21.460 -36.379 8.705 1.00 32.10 C ATOM 1070 CD GLU A 130 22.318 -36.906 7.561 1.00 39.02 C ATOM 1071 OE1 GLU A 130 21.753 -37.387 6.569 1.00 33.66 O ATOM 1072 OE2 GLU A 130 23.557 -36.817 7.664 1.00 40.72 O ATOM 1073 N PHE A 131 18.046 -35.001 8.190 1.00 25.95 N ATOM 1074 CA PHE A 131 17.773 -33.742 7.520 1.00 24.30 C ATOM 1075 C PHE A 131 17.167 -32.732 8.506 1.00 24.88 C ATOM 1076 O PHE A 131 17.490 -31.544 8.473 1.00 30.39 O ATOM 1077 CB PHE A 131 16.862 -33.864 6.290 1.00 24.93 C ATOM 1078 CG PHE A 131 16.580 -32.509 5.642 1.00 24.74 C ATOM 1079 CD1 PHE A 131 17.565 -31.871 4.881 1.00 24.39 C ATOM 1080 CD2 PHE A 131 15.376 -31.849 5.855 1.00 26.86 C ATOM 1081 CE1 PHE A 131 17.349 -30.599 4.316 1.00 26.35 C ATOM 1082 CE2 PHE A 131 15.147 -30.584 5.312 1.00 31.88 C ATOM 1083 CZ PHE A 131 16.131 -29.952 4.547 1.00 31.30 C ATOM 1084 N VAL A 132 16.282 -33.198 9.372 1.00 29.31 N ATOM 1085 CA VAL A 132 15.662 -32.299 10.368 1.00 30.92 C ATOM 1086 C VAL A 132 16.733 -31.601 11.233 1.00 31.08 C ATOM 1087 O VAL A 132 16.711 -30.382 11.429 1.00 33.57 O ATOM 1088 CB VAL A 132 14.611 -33.070 11.207 1.00 30.88 C ATOM 1089 CG1 VAL A 132 14.129 -32.248 12.425 1.00 32.64 C ATOM 1090 CG2 VAL A 132 13.422 -33.474 10.311 1.00 27.22 C ATOM 1091 N GLN A 133 17.691 -32.380 11.711 1.00 33.47 N ATOM 1092 CA GLN A 133 18.815 -31.855 12.492 1.00 31.63 C ATOM 1093 C GLN A 133 19.697 -30.918 11.664 1.00 37.59 C ATOM 1094 O GLN A 133 20.180 -29.896 12.154 1.00 32.10 O ATOM 1095 CB GLN A 133 19.667 -33.017 12.985 1.00 32.99 C ATOM 1096 CG GLN A 133 20.754 -32.613 13.995 1.00 40.40 C ATOM 1097 CD GLN A 133 20.158 -31.968 15.229 1.00 38.35 C ATOM 1098 OE1 GLN A 133 19.217 -32.494 15.811 1.00 42.85 O ATOM 1099 NE2 GLN A 133 20.701 -30.816 15.631 1.00 48.31 N ATOM 1100 N ILE A 134 19.902 -31.278 10.401 1.00 30.42 N ATOM 1101 CA ILE A 134 20.661 -30.441 9.479 1.00 25.84 C ATOM 1102 C ILE A 134 20.032 -29.058 9.345 1.00 27.15 C ATOM 1103 O ILE A 134 20.735 -28.048 9.295 1.00 30.40 O ATOM 1104 CB ILE A 134 20.762 -31.085 8.085 1.00 29.82 C ATOM 1105 CG1 ILE A 134 21.761 -32.244 8.104 1.00 27.40 C ATOM 1106 CG2 ILE A 134 21.161 -30.048 7.046 1.00 25.91 C ATOM 1107 CD1 ILE A 134 21.813 -33.028 6.811 1.00 28.10 C ATOM 1108 N MET A 135 18.705 -29.019 9.289 1.00 30.70 N ATOM 1109 CA MET A 135 17.979 -27.759 9.182 1.00 32.86 C ATOM 1110 C MET A 135 18.003 -26.995 10.501 1.00 27.67 C ATOM 1111 O MET A 135 18.126 -25.770 10.518 1.00 35.15 O ATOM 1112 CB MET A 135 16.534 -28.009 8.745 1.00 35.89 C ATOM 1113 CG MET A 135 15.694 -26.747 8.628 1.00 52.47 C ATOM 1114 SD MET A 135 16.379 -25.562 7.454 1.00 51.96 S ATOM 1115 CE MET A 135 15.899 -26.312 5.899 1.00 64.53 C ATOM 1116 N LYS A 136 17.885 -27.726 11.605 1.00 29.36 N ATOM 1117 CA LYS A 136 17.908 -27.120 12.931 1.00 34.84 C ATOM 1118 C LYS A 136 19.222 -26.386 13.179 1.00 29.71 C ATOM 1119 O LYS A 136 19.236 -25.292 13.743 1.00 34.81 O ATOM 1120 CB LYS A 136 17.688 -28.183 14.009 1.00 30.38 C ATOM 1121 CG LYS A 136 16.228 -28.529 14.250 1.00 42.41 C ATOM 1122 CD LYS A 136 16.084 -29.611 15.309 1.00 38.43 C ATOM 1123 CE LYS A 136 14.671 -30.172 15.336 1.00 39.61 C ATOM 1124 NZ LYS A 136 14.493 -31.176 16.421 1.00 54.16 N ATOM 1125 N ASP A 137 20.324 -26.996 12.755 1.00 32.15 N ATOM 1126 CA ASP A 137 21.646 -26.399 12.927 1.00 36.38 C ATOM 1127 C ASP A 137 21.804 -25.219 11.983 1.00 35.54 C ATOM 1128 O ASP A 137 22.393 -24.191 12.331 1.00 27.20 O ATOM 1129 CB ASP A 137 22.742 -27.448 12.696 1.00 36.96 C ATOM 1130 CG ASP A 137 22.734 -28.518 13.762 1.00 42.05 C ATOM 1131 OD1 ASP A 137 22.082 -28.288 14.797 1.00 43.68 O ATOM 1132 OD2 ASP A 137 23.362 -29.578 13.580 1.00 38.62 O ATOM 1133 N TYR A 138 21.254 -25.374 10.785 1.00 29.85 N ATOM 1134 CA TYR A 138 21.242 -24.319 9.791 1.00 29.82 C ATOM 1135 C TYR A 138 20.553 -23.076 10.330 1.00 32.91 C ATOM 1136 O TYR A 138 21.104 -21.965 10.249 1.00 29.64 O ATOM 1137 CB TYR A 138 20.521 -24.794 8.506 1.00 29.52 C ATOM 1138 CG TYR A 138 20.685 -23.843 7.359 1.00 32.56 C ATOM 1139 CD1 TYR A 138 19.747 -22.852 7.122 1.00 30.61 C ATOM 1140 CD2 TYR A 138 21.804 -23.916 6.525 1.00 26.68 C ATOM 1141 CE1 TYR A 138 19.907 -21.968 6.090 1.00 30.60 C ATOM 1142 CE2 TYR A 138 21.963 -23.039 5.485 1.00 31.89 C ATOM 1143 CZ TYR A 138 21.002 -22.080 5.259 1.00 30.91 C ATOM 1144 OH TYR A 138 21.150 -21.189 4.215 1.00 39.12 O ATOM 1145 N ASP A 139 19.357 -23.277 10.880 1.00 27.30 N ATOM 1146 CA ASP A 139 18.564 -22.208 11.489 1.00 28.03 C ATOM 1147 C ASP A 139 19.307 -21.597 12.694 1.00 24.82 C ATOM 1148 O ASP A 139 19.253 -20.385 12.917 1.00 30.27 O ATOM 1149 CB ASP A 139 17.205 -22.759 11.960 1.00 27.21 C ATOM 1150 CG ASP A 139 16.130 -22.782 10.841 1.00 40.01 C ATOM 1151 OD1 ASP A 139 16.322 -22.154 9.785 1.00 35.35 O ATOM 1152 OD2 ASP A 139 15.082 -23.434 11.033 1.00 45.47 O ATOM 1153 N LYS A 140 19.965 -22.436 13.477 1.00 31.16 N ATOM 1154 CA LYS A 140 20.645 -21.961 14.689 1.00 33.49 C ATOM 1155 C LYS A 140 21.832 -21.033 14.380 1.00 34.23 C ATOM 1156 O LYS A 140 22.153 -20.116 15.162 1.00 32.46 O ATOM 1157 CB LYS A 140 21.090 -23.146 15.544 1.00 31.27 C ATOM 1158 CG LYS A 140 21.847 -22.745 16.814 1.00 32.71 C ATOM 1159 CD LYS A 140 22.716 -23.888 17.312 1.00 46.55 C ATOM 1160 CE LYS A 140 23.864 -24.170 16.340 1.00 53.36 C ATOM 1161 NZ LYS A 140 24.597 -25.439 16.628 1.00 50.62 N ATOM 1162 N ALA A 141 22.493 -21.274 13.248 1.00 31.39 N ATOM 1163 CA ALA A 141 23.533 -20.366 12.772 1.00 31.45 C ATOM 1164 C ALA A 141 22.987 -18.986 12.364 1.00 35.19 C ATOM 1165 O ALA A 141 23.735 -18.024 12.266 1.00 32.80 O ATOM 1166 CB ALA A 141 24.332 -21.009 11.640 1.00 30.83 C ATOM 1167 N LEU A 142 21.677 -18.909 12.151 1.00 32.04 N ATOM 1168 CA LEU A 142 20.960 -17.663 11.821 1.00 31.23 C ATOM 1169 C LEU A 142 20.248 -17.087 13.050 1.00 30.66 C ATOM 1170 O LEU A 142 19.387 -16.208 12.938 1.00 37.48 O ATOM 1171 CB LEU A 142 19.884 -17.963 10.753 1.00 33.40 C ATOM 1172 CG LEU A 142 20.427 -18.412 9.403 1.00 33.94 C ATOM 1173 CD1 LEU A 142 19.310 -18.945 8.462 1.00 36.29 C ATOM 1174 CD2 LEU A 142 21.188 -17.257 8.763 1.00 47.98 C ATOM 1175 N ASN A 143 20.559 -17.618 14.216 1.00 36.84 N ATOM 1176 CA ASN A 143 19.939 -17.131 15.445 1.00 38.92 C ATOM 1177 C ASN A 143 18.501 -17.602 15.662 1.00 44.22 C ATOM 1178 O ASN A 143 17.726 -16.962 16.384 1.00 41.31 O ATOM 1179 CB ASN A 143 20.010 -15.612 15.520 1.00 36.66 C ATOM 1180 CG ASN A 143 20.144 -15.124 16.934 1.00 36.45 C ATOM 1181 OD1 ASN A 143 20.580 -15.872 17.798 1.00 33.01 O ATOM 1182 ND2 ASN A 143 19.746 -13.874 17.189 1.00 36.78 N ATOM 1183 N CYS A 144 18.157 -18.728 15.041 1.00 37.38 N ATOM 1184 CA CYS A 144 16.814 -19.273 15.115 1.00 42.04 C ATOM 1185 C CYS A 144 16.812 -20.695 15.653 1.00 46.62 C ATOM 1186 O CYS A 144 15.854 -21.441 15.446 1.00 50.68 O ATOM 1187 CB CYS A 144 16.150 -19.230 13.742 1.00 42.21 C ATOM 1188 SG CYS A 144 15.855 -17.574 13.125 1.00 42.86 S ATOM 1189 OXT CYS A 144 17.756 -21.130 16.316 1.00 50.88 O TER 1190 CYS A 144 HETATM 1191 O HOH A 145 3.777 -38.439 -8.118 1.00 46.69 O HETATM 1192 O HOH A 146 7.297 -8.953 -11.968 1.00 50.82 O HETATM 1193 O HOH A 147 24.599 -25.252 9.101 1.00 31.87 O HETATM 1194 O HOH A 148 14.804 -40.831 9.239 1.00 32.67 O HETATM 1195 O HOH A 149 8.351 -37.088 7.015 1.00 37.27 O HETATM 1196 O HOH A 150 18.956 -19.966 3.168 1.00 31.62 O HETATM 1197 O HOH A 151 5.933 -29.884 8.118 1.00 31.98 O HETATM 1198 O HOH A 152 -8.613 -31.614 -8.320 1.00 48.56 O HETATM 1199 O HOH A 153 -8.769 -30.101 -10.800 1.00 37.68 O HETATM 1200 O HOH A 154 5.457 -31.895 -10.602 1.00 30.81 O HETATM 1201 O HOH A 155 16.717 -32.828 15.156 1.00 32.85 O HETATM 1202 O HOH A 156 -6.164 -38.666 0.965 1.00 57.50 O HETATM 1203 O HOH A 157 19.503 -38.156 5.472 1.00 28.91 O HETATM 1204 O HOH A 158 -1.858 -35.040 -5.337 1.00 28.24 O HETATM 1205 O HOH A 159 12.911 -20.197 12.843 1.00 38.52 O HETATM 1206 O HOH A 160 19.058 -21.674 -0.819 1.00 34.27 O HETATM 1207 O HOH A 161 11.784 -25.928 -7.578 1.00 40.34 O HETATM 1208 O HOH A 162 0.504 -32.506 3.550 1.00 33.49 O HETATM 1209 O HOH A 163 7.718 -38.296 -12.223 1.00 59.63 O HETATM 1210 O HOH A 164 -1.595 -38.240 -5.353 1.00 38.79 O HETATM 1211 O HOH A 165 25.274 -29.715 5.417 1.00 44.74 O HETATM 1212 O HOH A 166 4.372 -34.913 5.194 1.00 35.89 O HETATM 1213 O HOH A 167 22.476 -36.285 3.955 1.00 31.42 O HETATM 1214 O HOH A 168 24.527 -30.017 10.250 1.00 41.06 O HETATM 1215 O HOH A 169 -2.776 -33.282 1.575 1.00 50.24 O HETATM 1216 O HOH A 170 22.448 -29.680 -3.622 1.00 44.79 O HETATM 1217 O HOH A 171 3.872 -41.185 1.088 1.00 52.57 O HETATM 1218 O HOH A 172 16.102 -35.275 13.861 1.00 37.02 O HETATM 1219 O HOH A 173 -2.643 -36.813 -7.336 1.00 36.38 O HETATM 1220 O HOH A 174 13.402 -22.879 7.555 1.00 54.46 O HETATM 1221 O HOH A 175 17.452 -24.483 15.571 1.00 41.11 O HETATM 1222 O HOH A 176 0.893 -9.366 9.747 1.00 39.01 O HETATM 1223 O HOH A 177 12.376 -14.198 15.540 1.00 44.80 O HETATM 1224 O HOH A 178 13.593 -35.959 14.068 1.00 42.30 O HETATM 1225 O HOH A 179 12.323 -40.689 8.836 1.00 52.65 O HETATM 1226 O HOH A 180 19.523 -19.713 18.157 1.00 57.09 O HETATM 1227 O HOH A 181 23.832 -33.450 -5.303 1.00 37.20 O HETATM 1228 O HOH A 182 1.145 -24.285 -12.966 1.00 44.39 O HETATM 1229 O HOH A 183 -6.939 -27.839 2.675 1.00 33.40 O HETATM 1230 O HOH A 184 -2.900 -40.653 -4.683 1.00 48.43 O HETATM 1231 O HOH A 185 2.212 -16.601 -15.217 1.00 50.51 O HETATM 1232 O HOH A 186 20.250 -14.906 5.983 1.00 60.48 O HETATM 1233 O HOH A 187 13.047 -29.325 8.761 1.00 47.69 O HETATM 1234 O HOH A 188 -1.225 -19.514 5.823 1.00 45.58 O HETATM 1235 O HOH A 189 10.862 -28.490 -6.937 1.00 42.91 O HETATM 1236 O HOH A 190 11.204 -20.804 5.675 1.00 55.03 O HETATM 1237 O HOH A 191 22.219 -12.585 15.554 1.00 54.80 O HETATM 1238 O HOH A 192 -5.715 -22.525 2.006 1.00 40.79 O HETATM 1239 O HOH A 193 14.258 -28.746 10.856 1.00 38.62 O HETATM 1240 O HOH A 194 18.251 -36.612 14.956 1.00 61.07 O HETATM 1241 O HOH A 195 7.069 -28.117 10.097 1.00 59.25 O HETATM 1242 O HOH A 196 23.294 -27.431 8.740 1.00 30.16 O HETATM 1243 O HOH A 197 24.256 -34.195 4.082 1.00 51.52 O HETATM 1244 O HOH A 198 11.875 -29.630 -8.821 1.00 54.03 O HETATM 1245 O HOH A 199 18.762 -29.678 18.173 1.00 52.90 O HETATM 1246 O HOH A 200 -0.819 -11.413 11.066 1.00 45.71 O HETATM 1247 O HOH A 201 18.462 -17.975 20.461 1.00 64.16 O HETATM 1248 O HOH A 202 11.699 -30.367 -4.949 1.00 42.05 O HETATM 1249 O HOH A 203 2.207 -39.634 7.581 1.00 40.20 O HETATM 1250 O HOH A 204 -9.187 -27.335 -5.861 1.00 36.91 O HETATM 1251 O HOH A 205 19.788 -19.485 0.633 1.00 36.31 O HETATM 1252 O HOH A 206 18.306 -39.831 9.156 1.00 35.38 O HETATM 1253 O HOH A 207 8.498 -22.254 -12.393 1.00 47.81 O HETATM 1254 O HOH A 208 -1.596 -15.834 -14.568 1.00 50.96 O HETATM 1255 O HOH A 209 -2.862 -9.319 -12.546 1.00 46.14 O HETATM 1256 O HOH A 210 -7.633 -25.085 5.468 1.00 59.67 O HETATM 1257 O HOH A 211 22.723 -19.664 0.514 1.00 39.51 O HETATM 1258 O HOH A 212 8.799 -22.745 -15.430 1.00 73.61 O HETATM 1259 O HOH A 213 11.603 -25.273 9.033 1.00 45.53 O HETATM 1260 O HOH A 214 10.255 -18.878 4.761 1.00 56.90 O HETATM 1261 O HOH A 215 -11.167 -20.372 1.657 1.00 66.58 O HETATM 1262 O HOH A 216 5.981 -8.845 -9.638 1.00 48.52 O CONECT 50 316 CONECT 152 1188 CONECT 316 50 CONECT 645 795 CONECT 795 645 CONECT 1188 152 MASTER 275 0 0 9 0 0 0 6 1261 1 6 12 END