diff --git a/moldesign/_tests/data/1pyn.pdb b/moldesign/_tests/data/1pyn.pdb deleted file mode 100644 index 88e767b..0000000 --- a/moldesign/_tests/data/1pyn.pdb +++ /dev/null @@ -1,3122 +0,0 @@ -HEADER HYDROLASE 09-JUL-03 1PYN -TITLE DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B -TITLE 2 INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE -TITLE 3 HEAD ON THE FIRST SITE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE -COMPND 3 1; -COMPND 4 CHAIN: A; -COMPND 5 FRAGMENT: PTP1B CATALYTIC DOMAIN; -COMPND 6 SYNONYM: PROTEIN-TYROSINE PHOSPHATASE 1B, PTP-1B; -COMPND 7 EC: 3.1.3.48; -COMPND 8 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_COMMON: HUMAN; -SOURCE 4 ORGANISM_TAXID: 9606; -SOURCE 5 GENE: PTPN1 OR PTP1B; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; -SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); -SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; -SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PT7-7 -KEYWDS PROTEIN TYROSINE PHOSPHATASE INHIBITED WITH DUAL SITE, -KEYWDS 2 MALONATE-CONTAINING INHIBITOR, HYDROLASE -EXPDTA X-RAY DIFFRACTION -AUTHOR B.G.SZCZEPANKIEWICZ,G.LIU,P.J.HAJDUK,C.ABAD-ZAPATERO, -AUTHOR 2 P.ZHONGHUA,T.LUBBEN,J.M.TREVILLYAN,M.STASHKO,S.J.BALLARON, -AUTHOR 3 H.LIANG -REVDAT 2 24-FEB-09 1PYN 1 VERSN -REVDAT 1 16-SEP-03 1PYN 0 -JRNL AUTH Z.PEI,X.LI,G.LIU,C.ABAD-ZAPATERO,T.LUBBEN,T.ZHANG, -JRNL AUTH 2 S.J.BALLARON,C.W.HUTCHINS,J.M.TREVILLYAN, -JRNL AUTH 3 M.R.JIROUSEK -JRNL TITL DISCOVERY AND SAR OF NOVEL, POTENT AND SELECTIVE -JRNL TITL 2 PROTEIN TYROSINE PHOSPHATASE 1B INHIBITORS. -JRNL REF BIOORG.MED.CHEM.LETT. V. 13 3129 2003 -JRNL REFN ISSN 0960-894X -JRNL PMID 12951078 -JRNL DOI 10.1016/S0960-894X(03)00725-X -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH B.G.SZCZEPANKIEWICZ,G.LIU,P.J.HAJDUK, -REMARK 1 AUTH 2 C.ABAD-ZAPATERO,Z.PEI,Z.XIN,T.H.LUBBEN, -REMARK 1 AUTH 3 J.M.TREVILLYAN,M.A.STASHKO,S.J.BALLARON,H.LIANG, -REMARK 1 AUTH 4 F.HUANG,C.W.HUTCHINS,S.W.FESIK,M.R.JIROUSEK -REMARK 1 TITL DISCOVERY OF A POTENT, SELECTIVE PROTEIN TYROSINE -REMARK 1 TITL 2 PHOSPHATASE 1B INHIBITOR USING A LINKED-FRAGMENT -REMARK 1 TITL 3 STRATEGY. -REMARK 1 REF J.AM.CHEM.SOC. V. 125 4087 2003 -REMARK 1 REFN ISSN 0002-7863 -REMARK 1 DOI 10.1021/JA0296733 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH Z.XIN,T.K.OOST,C.ABAD-ZAPATERO,P.J.HAJDUK,Z.PEI, -REMARK 1 AUTH 2 B.G.SZCZEPANKIEWICZ,C.W.HUTCHINS,S.J.BALLARON, -REMARK 1 AUTH 3 M.A.STASHKO,T.LUBBEN,J.M.TREVILLYAN,M.R.JIROUSEK, -REMARK 1 AUTH 4 G.LIU -REMARK 1 TITL POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE -REMARK 1 TITL 2 PHOSPHATASE 1B -REMARK 1 REF BIOORG.MED.CHEM.LETT. V. 13 1887 2003 -REMARK 1 REFN ISSN 0960-894X -REMARK 1 DOI 10.1016/S0960-894X(03)00302-0 -REMARK 1 REFERENCE 3 -REMARK 1 AUTH G.LIU,B.G.SZCZEPANKIEWICZ,Z.PEI,D.A.JANOWICH,Z.XIN, -REMARK 1 AUTH 2 P.J.HADJUK,C.ABAD-ZAPATERO,H.LIANG,C.W.HUTCHINS, -REMARK 1 AUTH 3 S.W.FESIK,S.J.BALLARON,M.A.STASHKO,T.LUBBEN, -REMARK 1 AUTH 4 A.K.MIKA,B.A.ZINKER,J.M.TREVILLYAN,M.R.JIROUSEK -REMARK 1 TITL DISCOVERY AND STRUCTURE-ACTIVITY RELATIONSHIP OF -REMARK 1 TITL 2 OXALYLARYLAMINOBENZOIC ACIDS AS INHIBITORS OF -REMARK 1 TITL 3 PROTEIN TYROSINE PHOSPHATASE 1B -REMARK 1 REF J.MED.CHEM. V. 46 2093 2003 -REMARK 1 REFN ISSN 0022-2623 -REMARK 1 DOI 10.1021/JM0205696 -REMARK 1 REFERENCE 4 -REMARK 1 AUTH G.LIU,Z.XIN,H.LIANG,C.ABAD-ZAPATERO,P.J.HAJDUK, -REMARK 1 AUTH 2 D.A.JANOWICK,B.G.SZCZEPANKIEWICZ,Z.PEI, -REMARK 1 AUTH 3 C.W.HUTCHINS,S.J.BALLARON,M.A.STASHKO,T.H.LUBBEN, -REMARK 1 AUTH 4 C.E.BERG,C.M.RONDINONE,J.M.TREVILLYAN,M.R.JIROUSEK -REMARK 1 TITL SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B -REMARK 1 TITL 2 INHIBITORS: TARGETING THE SECOND PHOSPHOTYROSINE -REMARK 1 TITL 3 BINDING SITE WITH NON-CARBOXYLIC ACID-CONTAINING -REMARK 1 TITL 4 LIGANDS -REMARK 1 REF TO BE PUBLISHED -REMARK 1 REFN -REMARK 2 -REMARK 2 RESOLUTION. 2.20 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : CNX 2000 -REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- -REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, -REMARK 3 : READ,RICE,SIMONSON,WARREN -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.74 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 78.3 -REMARK 3 NUMBER OF REFLECTIONS : 22184 -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) : 0.211 -REMARK 3 R VALUE (WORKING SET) : 0.198 -REMARK 3 FREE R VALUE : 0.224 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 -REMARK 3 FREE R VALUE TEST SET COUNT : 2219 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 -REMARK 3 -REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. -REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL -REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE (NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL -REMARK 3 ESTIMATED ERROR OF FREE R VALUE (NO CUTOFF) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 25245 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 10 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.28 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 63.10 -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1383 -REMARK 3 BIN R VALUE (WORKING SET) : 0.2250 -REMARK 3 BIN FREE R VALUE : 0.3050 -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00 -REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154 -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.025 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 2301 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 43 -REMARK 3 SOLVENT ATOMS : 251 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 29.40 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.10 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 2.45000 -REMARK 3 B22 (A**2) : 2.45000 -REMARK 3 B33 (A**2) : -4.89000 -REMARK 3 B12 (A**2) : 2.98000 -REMARK 3 B13 (A**2) : 0.00000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.24 -REMARK 3 ESD FROM SIGMAA (A) : 0.19 -REMARK 3 LOW RESOLUTION CUTOFF (A) : 6.00 -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.28 -REMARK 3 ESD FROM C-V SIGMAA (A) : 0.25 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.007 -REMARK 3 BOND ANGLES (DEGREES) : 1.30 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.40 -REMARK 3 IMPROPER ANGLES (DEGREES) : 0.72 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : 2.270 ; 1.500 -REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.340 ; 2.000 -REMARK 3 SIDE-CHAIN BOND (A**2) : 3.710 ; 2.000 -REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.060 ; 2.500 -REMARK 3 -REMARK 3 BULK SOLVENT MODELING. -REMARK 3 METHOD USED : FLAT MODEL -REMARK 3 KSOL : 0.35 -REMARK 3 BSOL : 42.77 -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM -REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM -REMARK 3 PARAMETER FILE 3 : ION.PARAM -REMARK 3 PARAMETER FILE 4 : 941.PAR -REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP -REMARK 3 TOPOLOGY FILE 2 : 941.TOP -REMARK 3 TOPOLOGY FILE 3 : NULL -REMARK 3 TOPOLOGY FILE 4 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1PYN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-03. -REMARK 100 THE RCSB ID CODE IS RCSB019702. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 09-MAY-01 -REMARK 200 TEMPERATURE (KELVIN) : 100.0 -REMARK 200 PH : 7.10 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : N -REMARK 200 RADIATION SOURCE : ROTATING ANODE -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : MIRRORS -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR -REMARK 200 DATA SCALING SOFTWARE : HKL-2000 -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25276 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 -REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 94.0 -REMARK 200 DATA REDUNDANCY : 4.500 -REMARK 200 R MERGE (I) : 0.05700 -REMARK 200 R SYM (I) : 0.05700 -REMARK 200 FOR THE DATA SET : 20.2000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 -REMARK 200 COMPLETENESS FOR SHELL (%) : 73.0 -REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 -REMARK 200 R MERGE FOR SHELL (I) : 0.33800 -REMARK 200 R SYM FOR SHELL (I) : 0.33800 -REMARK 200 FOR SHELL : 2.230 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: CNX 2000 -REMARK 200 STARTING MODEL: PDB ENTRY 1TYR AND INITIAL INTERNAL REFINEMENT -REMARK 200 OF OTHER COMPLEXES. RESIDUE CYS215, LISTED IN REMARK 500, -REMARK 200 CORRESPONDS TO THE ACTIVE SITE CYS WHICH IS KNOWN TO BE IN A -REMARK 200 STRAINED CONFORMATION IN THIS CLASS OF ENZYMES. -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 61.38 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.18 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: PRECIPITATION BUFFER: 100 MM HEPES, -REMARK 280 0.2 M MAGNESISUM ACETATE, 14% PEG8000, PH 7.10, VAPOR -REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -Y,X-Y,Z+1/3 -REMARK 290 3555 -X+Y,-X,Z+2/3 -REMARK 290 4555 Y,X,-Z -REMARK 290 5555 X-Y,-Y,-Z+2/3 -REMARK 290 6555 -X,-X+Y,-Z+1/3 -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 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.94333 -REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 69.88667 -REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 4 0.866025 0.500000 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 0.00000 -REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 69.88667 -REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 34.94333 -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 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET A 1 -REMARK 465 SER A 285 -REMARK 465 SER A 286 -REMARK 465 VAL A 287 -REMARK 465 GLN A 288 -REMARK 465 ASP A 289 -REMARK 465 GLN A 290 -REMARK 465 TRP A 291 -REMARK 465 LYS A 292 -REMARK 465 GLU A 293 -REMARK 465 LEU A 294 -REMARK 465 SER A 295 -REMARK 465 HIS A 296 -REMARK 465 GLU A 297 -REMARK 465 ASP A 298 -REMARK 465 LEU A 299 -REMARK 465 GLU A 300 -REMARK 465 PRO A 301 -REMARK 465 PRO A 302 -REMARK 465 PRO A 303 -REMARK 465 GLU A 304 -REMARK 465 HIS A 305 -REMARK 465 ILE A 306 -REMARK 465 PRO A 307 -REMARK 465 PRO A 308 -REMARK 465 PRO A 309 -REMARK 465 PRO A 310 -REMARK 465 ARG A 311 -REMARK 465 PRO A 312 -REMARK 465 PRO A 313 -REMARK 465 LYS A 314 -REMARK 465 ARG A 315 -REMARK 465 ILE A 316 -REMARK 465 LEU A 317 -REMARK 465 GLU A 318 -REMARK 465 PRO A 319 -REMARK 465 HIS A 320 -REMARK 465 ASN A 321 -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 ASP A 284 CA C O CB CG OD1 OD2 -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 63 -89.06 -63.58 -REMARK 500 LYS A 131 72.96 -115.77 -REMARK 500 CYS A 215 -124.28 -129.45 -REMARK 500 ILE A 219 -30.29 -142.58 -REMARK 500 ILE A 261 97.56 79.18 -REMARK 500 MET A 282 -84.03 -69.02 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 941 A 322 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 1NL9 RELATED DB: PDB -REMARK 900 POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS -REMARK 900 USING A LINKED-FRAGMENT STRATEGY -REMARK 900 RELATED ID: 1NNY RELATED DB: PDB -REMARK 900 POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS -REMARK 900 USING A LINKED-FRAGMENT STRATEGY -REMARK 900 RELATED ID: 1NO6 RELATED DB: PDB -REMARK 900 POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS -REMARK 900 USING A LINKED-FRAGMENT STRATEGY -REMARK 900 RELATED ID: 1NZ7 RELATED DB: PDB -REMARK 900 POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS -REMARK 900 USING A LINKED-FRAGMENT STRATEGY -REMARK 900 RELATED ID: 1ONY RELATED DB: PDB -REMARK 900 DISCOVERY AND SAR OF OXALYL-ARYL-AMINO BENZOIC ACIDS AS -REMARK 900 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B -REMARK 900 RELATED ID: 1PHO RELATED DB: PDB -REMARK 900 SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITORS: -REMARK 900 TARGETING THE SECOND SITE WITH NON-CARBOXYLIC ACID- -REMARK 900 CONTAINING LIGANDS. -DBREF 1PYN A 1 321 UNP P18031 PTN1_HUMAN 1 321 -SEQRES 1 A 321 MET GLU MET GLU LYS GLU PHE GLU GLN ILE ASP LYS SER -SEQRES 2 A 321 GLY SER TRP ALA ALA ILE TYR GLN ASP ILE ARG HIS GLU -SEQRES 3 A 321 ALA SER ASP PHE PRO CYS ARG VAL ALA LYS LEU PRO LYS -SEQRES 4 A 321 ASN LYS ASN ARG ASN ARG TYR ARG ASP VAL SER PRO PHE -SEQRES 5 A 321 ASP HIS SER ARG ILE LYS LEU HIS GLN GLU ASP ASN ASP -SEQRES 6 A 321 TYR ILE ASN ALA SER LEU ILE LYS MET GLU GLU ALA GLN -SEQRES 7 A 321 ARG SER TYR ILE LEU THR GLN GLY PRO LEU PRO ASN THR -SEQRES 8 A 321 CYS GLY HIS PHE TRP GLU MET VAL TRP GLU GLN LYS SER -SEQRES 9 A 321 ARG GLY VAL VAL MET LEU ASN ARG VAL MET GLU LYS GLY -SEQRES 10 A 321 SER LEU LYS CYS ALA GLN TYR TRP PRO GLN LYS GLU GLU -SEQRES 11 A 321 LYS GLU MET ILE PHE GLU ASP THR ASN LEU LYS LEU THR -SEQRES 12 A 321 LEU ILE SER GLU ASP ILE LYS SER TYR TYR THR VAL ARG -SEQRES 13 A 321 GLN LEU GLU LEU GLU ASN LEU THR THR GLN GLU THR ARG -SEQRES 14 A 321 GLU ILE LEU HIS PHE HIS TYR THR THR TRP PRO ASP PHE -SEQRES 15 A 321 GLY VAL PRO GLU SER PRO ALA SER PHE LEU ASN PHE LEU -SEQRES 16 A 321 PHE LYS VAL ARG GLU SER GLY SER LEU SER PRO GLU HIS -SEQRES 17 A 321 GLY PRO VAL VAL VAL HIS CYS SER ALA GLY ILE GLY ARG -SEQRES 18 A 321 SER GLY THR PHE CYS LEU ALA ASP THR CYS LEU LEU LEU -SEQRES 19 A 321 MET ASP LYS ARG LYS ASP PRO SER SER VAL ASP ILE LYS -SEQRES 20 A 321 LYS VAL LEU LEU GLU MET ARG LYS PHE ARG MET GLY LEU -SEQRES 21 A 321 ILE GLN THR ALA ASP GLN LEU ARG PHE SER TYR LEU ALA -SEQRES 22 A 321 VAL ILE GLU GLY ALA LYS PHE ILE MET GLY ASP SER SER -SEQRES 23 A 321 VAL GLN ASP GLN TRP LYS GLU LEU SER HIS GLU ASP LEU -SEQRES 24 A 321 GLU PRO PRO PRO GLU HIS ILE PRO PRO PRO PRO ARG PRO -SEQRES 25 A 321 PRO LYS ARG ILE LEU GLU PRO HIS ASN -HET 941 A 322 43 -HETNAM 941 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2- -HETNAM 2 941 METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- -HETNAM 3 941 PHENOXY)-MALONIC ACID -HETSYN 941 COMPOUND 15 -FORMUL 2 941 C29 H36 N2 O12 -FORMUL 3 HOH *251(H2 O) -HELIX 1 1 GLU A 2 SER A 13 1 12 -HELIX 2 2 SER A 15 ALA A 27 1 13 -HELIX 3 3 CYS A 32 LEU A 37 1 6 -HELIX 4 4 PRO A 38 ASN A 44 5 7 -HELIX 5 5 PHE A 52 ARG A 56 5 5 -HELIX 6 6 THR A 91 GLN A 102 1 12 -HELIX 7 7 PRO A 188 GLY A 202 1 15 -HELIX 8 8 GLY A 220 ARG A 238 1 19 -HELIX 9 9 ASP A 240 VAL A 244 5 5 -HELIX 10 10 ASP A 245 ARG A 254 1 10 -HELIX 11 11 THR A 263 GLY A 283 1 21 -SHEET 1 A 8 ALA A 69 MET A 74 0 -SHEET 2 A 8 ARG A 79 THR A 84 -1 O TYR A 81 N ILE A 72 -SHEET 3 A 8 VAL A 211 HIS A 214 1 O VAL A 213 N ILE A 82 -SHEET 4 A 8 GLY A 106 MET A 109 1 N VAL A 108 O VAL A 212 -SHEET 5 A 8 GLU A 167 TYR A 176 1 O PHE A 174 N MET A 109 -SHEET 6 A 8 TYR A 153 ASN A 162 -1 N LEU A 158 O ILE A 171 -SHEET 7 A 8 LEU A 140 ILE A 149 -1 N SER A 146 O GLN A 157 -SHEET 8 A 8 MET A 133 PHE A 135 -1 N PHE A 135 O LEU A 140 -SHEET 1 B 2 MET A 114 GLU A 115 0 -SHEET 2 B 2 SER A 118 LEU A 119 -1 O SER A 118 N GLU A 115 -SITE 1 AC1 22 TYR A 20 ARG A 24 TYR A 46 ARG A 47 -SITE 2 AC1 22 ASP A 48 CYS A 215 SER A 216 ALA A 217 -SITE 3 AC1 22 GLY A 220 ARG A 221 ARG A 254 GLY A 259 -SITE 4 AC1 22 GLN A 262 GLN A 266 HOH A 504 HOH A 560 -SITE 5 AC1 22 HOH A 562 HOH A 571 HOH A 590 HOH A 612 -SITE 6 AC1 22 HOH A 648 HOH A 693 -CRYST1 88.710 88.710 104.830 90.00 90.00 120.00 P 31 2 1 6 -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 0.011273 0.006508 0.000000 0.00000 -SCALE2 0.000000 0.013017 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.009539 0.00000 -ATOM 1 N GLU A 2 23.845 7.846 40.503 1.00 84.48 N -ATOM 2 CA GLU A 2 25.153 7.505 39.875 1.00 83.44 C -ATOM 3 C GLU A 2 25.221 8.076 38.466 1.00 80.99 C -ATOM 4 O GLU A 2 24.550 7.584 37.561 1.00 81.38 O -ATOM 5 CB GLU A 2 25.327 5.986 39.820 1.00 86.25 C -ATOM 6 CG GLU A 2 26.632 5.528 39.189 1.00 88.55 C -ATOM 7 CD GLU A 2 27.848 6.007 39.955 1.00 90.22 C -ATOM 8 OE1 GLU A 2 28.057 7.235 40.030 1.00 91.62 O -ATOM 9 OE2 GLU A 2 28.593 5.156 40.483 1.00 90.71 O -ATOM 10 N MET A 3 26.029 9.114 38.279 1.00 76.71 N -ATOM 11 CA MET A 3 26.148 9.721 36.964 1.00 72.31 C -ATOM 12 C MET A 3 27.058 8.887 36.076 1.00 71.03 C -ATOM 13 O MET A 3 27.047 9.041 34.859 1.00 70.37 O -ATOM 14 CB MET A 3 26.675 11.156 37.066 1.00 69.99 C -ATOM 15 CG MET A 3 28.154 11.283 37.371 1.00 68.18 C -ATOM 16 SD MET A 3 28.669 13.012 37.448 1.00 65.26 S -ATOM 17 CE MET A 3 28.964 13.358 35.745 1.00 68.05 C -ATOM 18 N GLU A 4 27.851 8.006 36.680 1.00 69.34 N -ATOM 19 CA GLU A 4 28.732 7.150 35.895 1.00 66.70 C -ATOM 20 C GLU A 4 27.865 6.101 35.229 1.00 65.63 C -ATOM 21 O GLU A 4 28.194 5.584 34.162 1.00 63.24 O -ATOM 22 CB GLU A 4 29.772 6.458 36.773 1.00 66.90 C -ATOM 23 CG GLU A 4 30.680 5.529 35.985 1.00 67.44 C -ATOM 24 CD GLU A 4 31.733 4.869 36.840 1.00 68.73 C -ATOM 25 OE1 GLU A 4 31.364 4.172 37.806 1.00 71.40 O -ATOM 26 OE2 GLU A 4 32.932 5.045 36.541 1.00 67.46 O -ATOM 27 N LYS A 5 26.750 5.787 35.876 1.00 65.27 N -ATOM 28 CA LYS A 5 25.820 4.811 35.342 1.00 65.26 C -ATOM 29 C LYS A 5 25.056 5.495 34.213 1.00 63.36 C -ATOM 30 O LYS A 5 24.836 4.908 33.155 1.00 62.29 O -ATOM 31 CB LYS A 5 24.863 4.344 36.441 1.00 68.53 C -ATOM 32 CG LYS A 5 23.992 3.164 36.047 1.00 72.71 C -ATOM 33 CD LYS A 5 23.258 2.590 37.248 1.00 74.01 C -ATOM 34 CE LYS A 5 22.431 1.377 36.858 1.00 74.38 C -ATOM 35 NZ LYS A 5 21.816 0.722 38.043 1.00 74.65 N -ATOM 36 N GLU A 6 24.669 6.747 34.440 1.00 61.16 N -ATOM 37 CA GLU A 6 23.945 7.515 33.432 1.00 58.96 C -ATOM 38 C GLU A 6 24.865 7.713 32.231 1.00 58.51 C -ATOM 39 O GLU A 6 24.442 7.621 31.079 1.00 56.35 O -ATOM 40 CB GLU A 6 23.538 8.885 33.982 1.00 57.22 C -ATOM 41 CG GLU A 6 22.651 9.678 33.029 1.00 61.25 C -ATOM 42 CD GLU A 6 22.588 11.161 33.352 1.00 61.22 C -ATOM 43 OE1 GLU A 6 22.320 11.514 34.518 1.00 61.09 O -ATOM 44 OE2 GLU A 6 22.798 11.978 32.430 1.00 63.34 O -ATOM 45 N PHE A 7 26.132 7.986 32.523 1.00 56.70 N -ATOM 46 CA PHE A 7 27.141 8.205 31.495 1.00 55.98 C -ATOM 47 C PHE A 7 27.173 7.039 30.515 1.00 55.66 C -ATOM 48 O PHE A 7 27.082 7.227 29.300 1.00 54.03 O -ATOM 49 CB PHE A 7 28.525 8.367 32.137 1.00 52.97 C -ATOM 50 CG PHE A 7 29.628 8.580 31.146 1.00 50.72 C -ATOM 51 CD1 PHE A 7 29.848 9.831 30.591 1.00 49.99 C -ATOM 52 CD2 PHE A 7 30.419 7.515 30.729 1.00 50.87 C -ATOM 53 CE1 PHE A 7 30.838 10.023 29.631 1.00 52.66 C -ATOM 54 CE2 PHE A 7 31.413 7.696 29.767 1.00 51.19 C -ATOM 55 CZ PHE A 7 31.622 8.951 29.217 1.00 51.35 C -ATOM 56 N GLU A 8 27.298 5.832 31.058 1.00 57.33 N -ATOM 57 CA GLU A 8 27.359 4.626 30.247 1.00 58.99 C -ATOM 58 C GLU A 8 26.089 4.353 29.445 1.00 57.47 C -ATOM 59 O GLU A 8 26.146 3.728 28.388 1.00 55.55 O -ATOM 60 CB GLU A 8 27.695 3.432 31.136 1.00 61.09 C -ATOM 61 CG GLU A 8 29.070 3.535 31.765 1.00 65.74 C -ATOM 62 CD GLU A 8 29.373 2.386 32.698 1.00 69.79 C -ATOM 63 OE1 GLU A 8 28.668 2.248 33.718 1.00 72.74 O -ATOM 64 OE2 GLU A 8 30.318 1.622 32.411 1.00 74.03 O -ATOM 65 N GLN A 9 24.947 4.820 29.940 1.00 58.64 N -ATOM 66 CA GLN A 9 23.686 4.623 29.229 1.00 60.33 C -ATOM 67 C GLN A 9 23.686 5.486 27.975 1.00 58.84 C -ATOM 68 O GLN A 9 23.391 5.012 26.880 1.00 58.87 O -ATOM 69 CB GLN A 9 22.502 5.022 30.106 1.00 63.68 C -ATOM 70 CG GLN A 9 22.372 4.233 31.387 1.00 70.96 C -ATOM 71 CD GLN A 9 21.229 4.735 32.243 1.00 75.91 C -ATOM 72 OE1 GLN A 9 20.080 4.768 31.801 1.00 78.39 O -ATOM 73 NE2 GLN A 9 21.538 5.134 33.474 1.00 77.28 N -ATOM 74 N ILE A 10 24.013 6.762 28.151 1.00 57.19 N -ATOM 75 CA ILE A 10 24.065 7.704 27.041 1.00 55.44 C -ATOM 76 C ILE A 10 25.039 7.182 25.986 1.00 55.61 C -ATOM 77 O ILE A 10 24.762 7.239 24.784 1.00 53.26 O -ATOM 78 CB ILE A 10 24.540 9.091 27.518 1.00 54.03 C -ATOM 79 CG1 ILE A 10 23.673 9.558 28.687 1.00 54.79 C -ATOM 80 CG2 ILE A 10 24.454 10.095 26.380 1.00 51.07 C -ATOM 81 CD1 ILE A 10 24.137 10.860 29.316 1.00 54.23 C -ATOM 82 N ASP A 11 26.182 6.676 26.450 1.00 54.79 N -ATOM 83 CA ASP A 11 27.203 6.128 25.566 1.00 54.85 C -ATOM 84 C ASP A 11 26.655 4.905 24.834 1.00 56.85 C -ATOM 85 O ASP A 11 26.710 4.833 23.607 1.00 56.20 O -ATOM 86 CB ASP A 11 28.445 5.742 26.374 1.00 50.05 C -ATOM 87 CG ASP A 11 29.653 6.588 26.025 1.00 47.76 C -ATOM 88 OD1 ASP A 11 29.503 7.549 25.243 1.00 47.54 O -ATOM 89 OD2 ASP A 11 30.755 6.295 26.533 1.00 48.12 O -ATOM 90 N LYS A 12 26.121 3.955 25.598 1.00 59.88 N -ATOM 91 CA LYS A 12 25.546 2.731 25.044 1.00 62.23 C -ATOM 92 C LYS A 12 24.615 3.052 23.881 1.00 61.93 C -ATOM 93 O LYS A 12 24.798 2.559 22.767 1.00 61.66 O -ATOM 94 CB LYS A 12 24.745 1.988 26.118 1.00 67.97 C -ATOM 95 CG LYS A 12 24.140 0.670 25.641 1.00 73.43 C -ATOM 96 CD LYS A 12 22.762 0.383 26.253 1.00 77.94 C -ATOM 97 CE LYS A 12 22.784 0.272 27.778 1.00 81.03 C -ATOM 98 NZ LYS A 12 22.905 1.592 28.464 1.00 83.36 N -ATOM 99 N SER A 13 23.613 3.881 24.154 1.00 60.10 N -ATOM 100 CA SER A 13 22.638 4.271 23.143 1.00 58.70 C -ATOM 101 C SER A 13 23.060 5.517 22.374 1.00 56.43 C -ATOM 102 O SER A 13 22.221 6.186 21.774 1.00 55.67 O -ATOM 103 CB SER A 13 21.277 4.509 23.799 1.00 58.61 C -ATOM 104 OG SER A 13 21.375 5.490 24.815 1.00 58.21 O -ATOM 105 N GLY A 14 24.360 5.811 22.399 1.00 55.26 N -ATOM 106 CA GLY A 14 24.904 6.969 21.706 1.00 54.03 C -ATOM 107 C GLY A 14 23.917 8.103 21.509 1.00 52.82 C -ATOM 108 O GLY A 14 23.555 8.429 20.378 1.00 53.61 O -ATOM 109 N SER A 15 23.491 8.716 22.607 1.00 51.52 N -ATOM 110 CA SER A 15 22.522 9.801 22.541 1.00 47.86 C -ATOM 111 C SER A 15 23.010 11.129 23.123 1.00 45.62 C -ATOM 112 O SER A 15 22.211 11.928 23.619 1.00 44.63 O -ATOM 113 CB SER A 15 21.240 9.367 23.250 1.00 48.69 C -ATOM 114 OG SER A 15 21.530 8.893 24.552 1.00 48.31 O -ATOM 115 N TRP A 16 24.314 11.376 23.056 1.00 42.22 N -ATOM 116 CA TRP A 16 24.859 12.621 23.586 1.00 42.06 C -ATOM 117 C TRP A 16 24.274 13.855 22.913 1.00 41.31 C -ATOM 118 O TRP A 16 23.944 14.836 23.582 1.00 42.32 O -ATOM 119 CB TRP A 16 26.384 12.626 23.469 1.00 38.86 C -ATOM 120 CG TRP A 16 27.009 11.770 24.514 1.00 37.30 C -ATOM 121 CD1 TRP A 16 27.536 10.525 24.351 1.00 37.40 C -ATOM 122 CD2 TRP A 16 27.096 12.066 25.912 1.00 38.14 C -ATOM 123 NE1 TRP A 16 27.945 10.020 25.564 1.00 38.20 N -ATOM 124 CE2 TRP A 16 27.686 10.945 26.541 1.00 36.86 C -ATOM 125 CE3 TRP A 16 26.727 13.169 26.697 1.00 37.19 C -ATOM 126 CZ2 TRP A 16 27.919 10.892 27.923 1.00 38.47 C -ATOM 127 CZ3 TRP A 16 26.958 13.120 28.072 1.00 38.42 C -ATOM 128 CH2 TRP A 16 27.551 11.982 28.671 1.00 36.77 C -ATOM 129 N ALA A 17 24.136 13.801 21.593 1.00 40.60 N -ATOM 130 CA ALA A 17 23.576 14.916 20.843 1.00 38.82 C -ATOM 131 C ALA A 17 22.186 15.251 21.368 1.00 39.51 C -ATOM 132 O ALA A 17 21.862 16.417 21.612 1.00 37.76 O -ATOM 133 CB ALA A 17 23.499 14.563 19.370 1.00 39.89 C -ATOM 134 N ALA A 18 21.369 14.218 21.547 1.00 40.47 N -ATOM 135 CA ALA A 18 20.006 14.401 22.031 1.00 41.64 C -ATOM 136 C ALA A 18 19.952 15.076 23.399 1.00 40.65 C -ATOM 137 O ALA A 18 19.251 16.072 23.578 1.00 41.77 O -ATOM 138 CB ALA A 18 19.279 13.056 22.075 1.00 40.64 C -ATOM 139 N ILE A 19 20.686 14.537 24.365 1.00 42.06 N -ATOM 140 CA ILE A 19 20.698 15.118 25.704 1.00 42.41 C -ATOM 141 C ILE A 19 21.237 16.547 25.686 1.00 41.73 C -ATOM 142 O ILE A 19 20.651 17.451 26.291 1.00 40.31 O -ATOM 143 CB ILE A 19 21.542 14.272 26.667 1.00 43.82 C -ATOM 144 CG1 ILE A 19 20.850 12.931 26.895 1.00 46.20 C -ATOM 145 CG2 ILE A 19 21.734 15.010 27.991 1.00 43.90 C -ATOM 146 CD1 ILE A 19 21.620 11.993 27.779 1.00 48.56 C -ATOM 147 N TYR A 20 22.353 16.747 24.995 1.00 38.57 N -ATOM 148 CA TYR A 20 22.944 18.072 24.900 1.00 38.50 C -ATOM 149 C TYR A 20 21.926 19.035 24.305 1.00 39.11 C -ATOM 150 O TYR A 20 21.816 20.188 24.731 1.00 36.21 O -ATOM 151 CB TYR A 20 24.198 18.050 24.015 1.00 34.64 C -ATOM 152 CG TYR A 20 24.775 19.427 23.763 1.00 31.76 C -ATOM 153 CD1 TYR A 20 25.281 20.190 24.811 1.00 29.98 C -ATOM 154 CD2 TYR A 20 24.775 19.985 22.483 1.00 34.60 C -ATOM 155 CE1 TYR A 20 25.768 21.475 24.601 1.00 28.63 C -ATOM 156 CE2 TYR A 20 25.257 21.270 22.258 1.00 32.46 C -ATOM 157 CZ TYR A 20 25.750 22.013 23.326 1.00 29.48 C -ATOM 158 OH TYR A 20 26.194 23.296 23.128 1.00 29.26 O -ATOM 159 N GLN A 21 21.170 18.556 23.322 1.00 41.06 N -ATOM 160 CA GLN A 21 20.188 19.410 22.678 1.00 43.00 C -ATOM 161 C GLN A 21 19.026 19.787 23.586 1.00 40.82 C -ATOM 162 O GLN A 21 18.489 20.892 23.480 1.00 37.56 O -ATOM 163 CB GLN A 21 19.666 18.765 21.398 1.00 44.34 C -ATOM 164 CG GLN A 21 19.282 19.809 20.378 1.00 49.62 C -ATOM 165 CD GLN A 21 20.446 20.740 20.063 1.00 53.31 C -ATOM 166 OE1 GLN A 21 20.247 21.903 19.715 1.00 52.71 O -ATOM 167 NE2 GLN A 21 21.672 20.224 20.174 1.00 51.66 N -ATOM 168 N ASP A 22 18.634 18.878 24.477 1.00 40.40 N -ATOM 169 CA ASP A 22 17.544 19.176 25.405 1.00 42.54 C -ATOM 170 C ASP A 22 17.991 20.291 26.350 1.00 40.08 C -ATOM 171 O ASP A 22 17.214 21.190 26.688 1.00 36.47 O -ATOM 172 CB ASP A 22 17.156 17.935 26.218 1.00 48.86 C -ATOM 173 CG ASP A 22 16.373 16.916 25.401 1.00 56.75 C -ATOM 174 OD1 ASP A 22 15.316 17.287 24.842 1.00 60.66 O -ATOM 175 OD2 ASP A 22 16.807 15.744 25.324 1.00 58.33 O -ATOM 176 N ILE A 23 19.248 20.230 26.777 1.00 37.72 N -ATOM 177 CA ILE A 23 19.782 21.248 27.669 1.00 35.85 C -ATOM 178 C ILE A 23 19.690 22.600 26.975 1.00 36.04 C -ATOM 179 O ILE A 23 19.214 23.579 27.558 1.00 34.30 O -ATOM 180 CB ILE A 23 21.256 20.964 28.042 1.00 36.25 C -ATOM 181 CG1 ILE A 23 21.335 19.695 28.897 1.00 33.59 C -ATOM 182 CG2 ILE A 23 21.843 22.153 28.802 1.00 32.31 C -ATOM 183 CD1 ILE A 23 22.723 19.390 29.410 1.00 35.07 C -ATOM 184 N ARG A 24 20.138 22.647 25.725 1.00 34.80 N -ATOM 185 CA ARG A 24 20.089 23.884 24.961 1.00 34.99 C -ATOM 186 C ARG A 24 18.662 24.411 24.897 1.00 34.74 C -ATOM 187 O ARG A 24 18.423 25.603 25.085 1.00 33.18 O -ATOM 188 CB ARG A 24 20.612 23.666 23.537 1.00 33.92 C -ATOM 189 CG ARG A 24 22.117 23.461 23.429 1.00 34.85 C -ATOM 190 CD ARG A 24 22.574 23.667 21.997 1.00 30.06 C -ATOM 191 NE ARG A 24 22.238 25.009 21.533 1.00 35.19 N -ATOM 192 CZ ARG A 24 22.262 25.395 20.262 1.00 36.71 C -ATOM 193 NH1 ARG A 24 22.610 24.539 19.311 1.00 40.50 N -ATOM 194 NH2 ARG A 24 21.930 26.639 19.941 1.00 39.67 N -ATOM 195 N HIS A 25 17.711 23.522 24.634 1.00 37.34 N -ATOM 196 CA HIS A 25 16.318 23.936 24.543 1.00 42.43 C -ATOM 197 C HIS A 25 15.797 24.547 25.838 1.00 40.00 C -ATOM 198 O HIS A 25 15.097 25.555 25.813 1.00 43.92 O -ATOM 199 CB HIS A 25 15.425 22.759 24.152 1.00 46.81 C -ATOM 200 CG HIS A 25 13.983 23.131 23.994 1.00 56.74 C -ATOM 201 ND1 HIS A 25 13.549 24.043 23.055 1.00 58.76 N -ATOM 202 CD2 HIS A 25 12.880 22.740 24.676 1.00 57.07 C -ATOM 203 CE1 HIS A 25 12.242 24.198 23.167 1.00 58.93 C -ATOM 204 NE2 HIS A 25 11.812 23.419 24.143 1.00 58.17 N -ATOM 205 N GLU A 26 16.143 23.940 26.968 1.00 40.28 N -ATOM 206 CA GLU A 26 15.686 24.420 28.270 1.00 40.04 C -ATOM 207 C GLU A 26 16.509 25.581 28.831 1.00 38.54 C -ATOM 208 O GLU A 26 16.116 26.193 29.825 1.00 36.27 O -ATOM 209 CB GLU A 26 15.699 23.262 29.272 1.00 44.91 C -ATOM 210 CG GLU A 26 14.794 22.095 28.891 1.00 55.75 C -ATOM 211 CD GLU A 26 15.228 20.778 29.531 1.00 64.61 C -ATOM 212 OE1 GLU A 26 15.310 20.714 30.781 1.00 67.67 O -ATOM 213 OE2 GLU A 26 15.490 19.805 28.782 1.00 65.80 O -ATOM 214 N ALA A 27 17.643 25.885 28.203 1.00 34.95 N -ATOM 215 CA ALA A 27 18.513 26.959 28.679 1.00 33.30 C -ATOM 216 C ALA A 27 17.809 28.311 28.786 1.00 32.67 C -ATOM 217 O ALA A 27 16.928 28.633 27.990 1.00 31.25 O -ATOM 218 CB ALA A 27 19.748 27.077 27.778 1.00 34.07 C -ATOM 219 N SER A 28 18.215 29.095 29.780 1.00 30.87 N -ATOM 220 CA SER A 28 17.648 30.416 30.028 1.00 29.95 C -ATOM 221 C SER A 28 17.962 31.366 28.883 1.00 32.25 C -ATOM 222 O SER A 28 18.887 31.135 28.103 1.00 32.15 O -ATOM 223 CB SER A 28 18.240 31.012 31.309 1.00 28.44 C -ATOM 224 OG SER A 28 18.316 30.051 32.340 1.00 30.16 O -ATOM 225 N ASP A 29 17.193 32.443 28.786 1.00 32.43 N -ATOM 226 CA ASP A 29 17.442 33.441 27.755 1.00 36.00 C -ATOM 227 C ASP A 29 17.087 34.788 28.353 1.00 30.59 C -ATOM 228 O ASP A 29 15.955 35.014 28.761 1.00 32.60 O -ATOM 229 CB ASP A 29 16.607 33.173 26.495 1.00 37.96 C -ATOM 230 CG ASP A 29 17.070 34.006 25.302 1.00 44.00 C -ATOM 231 OD1 ASP A 29 16.465 33.891 24.214 1.00 46.73 O -ATOM 232 OD2 ASP A 29 18.043 34.777 25.450 1.00 43.72 O -ATOM 233 N PHE A 30 18.065 35.675 28.422 1.00 26.33 N -ATOM 234 CA PHE A 30 17.843 36.987 28.997 1.00 25.16 C -ATOM 235 C PHE A 30 18.345 38.081 28.070 1.00 24.96 C -ATOM 236 O PHE A 30 19.034 37.813 27.097 1.00 28.06 O -ATOM 237 CB PHE A 30 18.549 37.081 30.358 1.00 23.15 C -ATOM 238 CG PHE A 30 17.977 36.163 31.402 1.00 24.66 C -ATOM 239 CD1 PHE A 30 16.722 36.414 31.957 1.00 22.26 C -ATOM 240 CD2 PHE A 30 18.681 35.041 31.824 1.00 21.20 C -ATOM 241 CE1 PHE A 30 16.176 35.556 32.922 1.00 22.18 C -ATOM 242 CE2 PHE A 30 18.145 34.173 32.790 1.00 21.08 C -ATOM 243 CZ PHE A 30 16.889 34.430 33.341 1.00 20.68 C -ATOM 244 N PRO A 31 17.984 39.334 28.360 1.00 24.59 N -ATOM 245 CA PRO A 31 18.384 40.501 27.573 1.00 26.30 C -ATOM 246 C PRO A 31 19.900 40.737 27.596 1.00 28.11 C -ATOM 247 O PRO A 31 20.555 40.503 28.613 1.00 24.49 O -ATOM 248 CB PRO A 31 17.638 41.647 28.256 1.00 28.87 C -ATOM 249 CG PRO A 31 16.423 40.984 28.816 1.00 26.05 C -ATOM 250 CD PRO A 31 16.978 39.704 29.370 1.00 25.63 C -ATOM 251 N CYS A 32 20.430 41.212 26.468 1.00 27.93 N -ATOM 252 CA CYS A 32 21.850 41.532 26.304 1.00 29.67 C -ATOM 253 C CYS A 32 21.888 42.897 25.633 1.00 29.54 C -ATOM 254 O CYS A 32 22.625 43.122 24.670 1.00 27.03 O -ATOM 255 CB CYS A 32 22.539 40.499 25.404 1.00 28.19 C -ATOM 256 SG CYS A 32 22.693 38.840 26.122 1.00 33.34 S -ATOM 257 N ARG A 33 21.083 43.809 26.156 1.00 31.84 N -ATOM 258 CA ARG A 33 20.970 45.143 25.590 1.00 34.88 C -ATOM 259 C ARG A 33 22.266 45.946 25.538 1.00 33.41 C -ATOM 260 O ARG A 33 22.591 46.531 24.509 1.00 32.17 O -ATOM 261 CB ARG A 33 19.914 45.943 26.349 1.00 41.05 C -ATOM 262 CG ARG A 33 19.305 47.056 25.529 1.00 46.91 C -ATOM 263 CD ARG A 33 18.392 47.928 26.356 1.00 56.16 C -ATOM 264 NE ARG A 33 19.143 48.859 27.188 1.00 64.41 N -ATOM 265 CZ ARG A 33 18.583 49.772 27.975 1.00 71.54 C -ATOM 266 NH1 ARG A 33 17.259 49.875 28.043 1.00 74.55 N -ATOM 267 NH2 ARG A 33 19.346 50.592 28.689 1.00 73.22 N -ATOM 268 N VAL A 34 22.997 45.989 26.644 1.00 29.42 N -ATOM 269 CA VAL A 34 24.240 46.750 26.693 1.00 27.59 C -ATOM 270 C VAL A 34 25.256 46.199 25.699 1.00 28.41 C -ATOM 271 O VAL A 34 25.884 46.955 24.947 1.00 27.09 O -ATOM 272 CB VAL A 34 24.828 46.729 28.127 1.00 27.98 C -ATOM 273 CG1 VAL A 34 26.081 47.595 28.214 1.00 23.54 C -ATOM 274 CG2 VAL A 34 23.782 47.232 29.103 1.00 26.65 C -ATOM 275 N ALA A 35 25.397 44.876 25.680 1.00 26.88 N -ATOM 276 CA ALA A 35 26.340 44.219 24.786 1.00 30.39 C -ATOM 277 C ALA A 35 26.129 44.623 23.337 1.00 32.06 C -ATOM 278 O ALA A 35 27.096 44.773 22.591 1.00 30.83 O -ATOM 279 CB ALA A 35 26.217 42.703 24.911 1.00 19.42 C -ATOM 280 N LYS A 36 24.866 44.799 22.948 1.00 31.48 N -ATOM 281 CA LYS A 36 24.522 45.144 21.572 1.00 33.66 C -ATOM 282 C LYS A 36 24.517 46.624 21.206 1.00 33.77 C -ATOM 283 O LYS A 36 24.326 46.960 20.038 1.00 36.52 O -ATOM 284 CB LYS A 36 23.164 44.530 21.203 1.00 34.84 C -ATOM 285 CG LYS A 36 23.184 43.017 21.026 1.00 36.88 C -ATOM 286 CD LYS A 36 24.055 42.620 19.842 1.00 40.90 C -ATOM 287 CE LYS A 36 24.029 41.122 19.593 1.00 42.46 C -ATOM 288 NZ LYS A 36 24.854 40.754 18.404 1.00 40.99 N -ATOM 289 N LEU A 37 24.709 47.515 22.175 1.00 31.87 N -ATOM 290 CA LEU A 37 24.731 48.936 21.838 1.00 34.01 C -ATOM 291 C LEU A 37 25.837 49.146 20.813 1.00 39.29 C -ATOM 292 O LEU A 37 26.945 48.606 20.956 1.00 39.10 O -ATOM 293 CB LEU A 37 25.018 49.798 23.060 1.00 31.92 C -ATOM 294 CG LEU A 37 23.948 49.774 24.145 1.00 37.47 C -ATOM 295 CD1 LEU A 37 24.444 50.537 25.351 1.00 33.34 C -ATOM 296 CD2 LEU A 37 22.653 50.370 23.608 1.00 33.86 C -ATOM 297 N PRO A 38 25.548 49.919 19.755 1.00 41.52 N -ATOM 298 CA PRO A 38 26.504 50.215 18.688 1.00 40.95 C -ATOM 299 C PRO A 38 27.889 50.612 19.184 1.00 37.65 C -ATOM 300 O PRO A 38 28.893 50.177 18.628 1.00 37.97 O -ATOM 301 CB PRO A 38 25.811 51.333 17.918 1.00 42.18 C -ATOM 302 CG PRO A 38 24.384 50.897 17.980 1.00 45.73 C -ATOM 303 CD PRO A 38 24.230 50.502 19.443 1.00 43.52 C -ATOM 304 N LYS A 39 27.950 51.425 20.233 1.00 38.82 N -ATOM 305 CA LYS A 39 29.241 51.852 20.755 1.00 39.43 C -ATOM 306 C LYS A 39 30.105 50.714 21.294 1.00 39.09 C -ATOM 307 O LYS A 39 31.319 50.861 21.382 1.00 42.36 O -ATOM 308 CB LYS A 39 29.060 52.900 21.851 1.00 39.03 C -ATOM 309 CG LYS A 39 28.531 52.347 23.156 1.00 40.70 C -ATOM 310 CD LYS A 39 28.506 53.434 24.204 1.00 41.72 C -ATOM 311 CE LYS A 39 27.857 52.940 25.477 1.00 43.35 C -ATOM 312 NZ LYS A 39 27.781 54.022 26.493 1.00 50.02 N -ATOM 313 N ASN A 40 29.496 49.584 21.645 1.00 39.58 N -ATOM 314 CA ASN A 40 30.257 48.452 22.188 1.00 39.34 C -ATOM 315 C ASN A 40 30.590 47.362 21.166 1.00 39.35 C -ATOM 316 O ASN A 40 31.109 46.302 21.525 1.00 37.73 O -ATOM 317 CB ASN A 40 29.499 47.815 23.361 1.00 34.64 C -ATOM 318 CG ASN A 40 29.368 48.748 24.554 1.00 36.72 C -ATOM 319 OD1 ASN A 40 30.303 49.488 24.887 1.00 32.48 O -ATOM 320 ND2 ASN A 40 28.213 48.699 25.225 1.00 28.05 N -ATOM 321 N LYS A 41 30.304 47.633 19.897 1.00 40.28 N -ATOM 322 CA LYS A 41 30.541 46.675 18.819 1.00 41.02 C -ATOM 323 C LYS A 41 31.960 46.110 18.833 1.00 41.45 C -ATOM 324 O LYS A 41 32.171 44.907 18.671 1.00 41.25 O -ATOM 325 CB LYS A 41 30.275 47.347 17.466 1.00 46.50 C -ATOM 326 CG LYS A 41 29.710 46.423 16.388 1.00 51.94 C -ATOM 327 CD LYS A 41 30.627 45.246 16.097 1.00 58.75 C -ATOM 328 CE LYS A 41 29.986 44.271 15.118 1.00 60.76 C -ATOM 329 NZ LYS A 41 30.821 43.051 14.914 1.00 63.14 N -ATOM 330 N ASN A 42 32.931 46.990 19.031 1.00 39.71 N -ATOM 331 CA ASN A 42 34.330 46.589 19.037 1.00 37.43 C -ATOM 332 C ASN A 42 34.782 45.959 20.350 1.00 37.00 C -ATOM 333 O ASN A 42 35.939 45.557 20.478 1.00 36.79 O -ATOM 334 CB ASN A 42 35.203 47.798 18.740 1.00 42.90 C -ATOM 335 CG ASN A 42 35.184 48.803 19.863 1.00 46.23 C -ATOM 336 OD1 ASN A 42 34.118 49.228 20.315 1.00 52.93 O -ATOM 337 ND2 ASN A 42 36.363 49.190 20.326 1.00 47.77 N -ATOM 338 N ARG A 43 33.891 45.883 21.336 1.00 33.26 N -ATOM 339 CA ARG A 43 34.276 45.279 22.603 1.00 29.84 C -ATOM 340 C ARG A 43 33.866 43.817 22.642 1.00 28.59 C -ATOM 341 O ARG A 43 34.080 43.124 23.634 1.00 28.84 O -ATOM 342 CB ARG A 43 33.668 46.056 23.775 1.00 26.73 C -ATOM 343 CG ARG A 43 34.183 47.480 23.842 1.00 22.74 C -ATOM 344 CD ARG A 43 33.865 48.176 25.154 1.00 28.23 C -ATOM 345 NE ARG A 43 34.469 49.506 25.156 1.00 26.78 N -ATOM 346 CZ ARG A 43 34.731 50.224 26.241 1.00 26.84 C -ATOM 347 NH1 ARG A 43 34.446 49.757 27.449 1.00 24.03 N -ATOM 348 NH2 ARG A 43 35.291 51.419 26.108 1.00 26.05 N -ATOM 349 N ASN A 44 33.292 43.342 21.542 1.00 27.94 N -ATOM 350 CA ASN A 44 32.863 41.952 21.465 1.00 27.41 C -ATOM 351 C ASN A 44 33.634 41.209 20.388 1.00 28.03 C -ATOM 352 O ASN A 44 33.777 41.690 19.265 1.00 26.89 O -ATOM 353 CB ASN A 44 31.359 41.869 21.179 1.00 24.41 C -ATOM 354 CG ASN A 44 30.525 42.519 22.270 1.00 28.43 C -ATOM 355 OD1 ASN A 44 30.638 42.164 23.445 1.00 30.99 O -ATOM 356 ND2 ASN A 44 29.685 43.476 21.887 1.00 25.81 N -ATOM 357 N ARG A 45 34.137 40.032 20.741 1.00 29.45 N -ATOM 358 CA ARG A 45 34.889 39.220 19.801 1.00 29.59 C -ATOM 359 C ARG A 45 33.917 38.505 18.871 1.00 28.76 C -ATOM 360 O ARG A 45 34.164 38.368 17.675 1.00 28.37 O -ATOM 361 CB ARG A 45 35.750 38.206 20.564 1.00 26.64 C -ATOM 362 CG ARG A 45 36.458 37.167 19.686 1.00 27.39 C -ATOM 363 CD ARG A 45 37.394 36.295 20.528 1.00 24.09 C -ATOM 364 NE ARG A 45 38.461 37.098 21.117 1.00 25.42 N -ATOM 365 CZ ARG A 45 39.600 37.396 20.500 1.00 26.76 C -ATOM 366 NH1 ARG A 45 39.832 36.946 19.276 1.00 24.89 N -ATOM 367 NH2 ARG A 45 40.495 38.168 21.098 1.00 20.95 N -ATOM 368 N TYR A 46 32.799 38.061 19.423 1.00 30.36 N -ATOM 369 CA TYR A 46 31.806 37.346 18.636 1.00 29.23 C -ATOM 370 C TYR A 46 30.422 37.967 18.732 1.00 31.48 C -ATOM 371 O TYR A 46 29.966 38.345 19.816 1.00 25.23 O -ATOM 372 CB TYR A 46 31.745 35.898 19.088 1.00 26.91 C -ATOM 373 CG TYR A 46 33.062 35.201 18.961 1.00 28.71 C -ATOM 374 CD1 TYR A 46 33.632 34.982 17.707 1.00 25.91 C -ATOM 375 CD2 TYR A 46 33.743 34.748 20.091 1.00 29.78 C -ATOM 376 CE1 TYR A 46 34.844 34.326 17.579 1.00 26.36 C -ATOM 377 CE2 TYR A 46 34.962 34.088 19.975 1.00 29.08 C -ATOM 378 CZ TYR A 46 35.505 33.879 18.713 1.00 28.53 C -ATOM 379 OH TYR A 46 36.696 33.212 18.584 1.00 29.81 O -ATOM 380 N ARG A 47 29.761 38.050 17.582 1.00 29.56 N -ATOM 381 CA ARG A 47 28.437 38.635 17.488 1.00 32.30 C -ATOM 382 C ARG A 47 27.404 37.792 18.222 1.00 30.29 C -ATOM 383 O ARG A 47 26.464 38.327 18.802 1.00 27.01 O -ATOM 384 CB ARG A 47 28.045 38.780 16.014 1.00 40.88 C -ATOM 385 CG ARG A 47 26.750 39.531 15.782 1.00 54.09 C -ATOM 386 CD ARG A 47 26.369 39.550 14.305 1.00 66.60 C -ATOM 387 NE ARG A 47 26.076 38.212 13.790 1.00 75.70 N -ATOM 388 CZ ARG A 47 25.622 37.961 12.565 1.00 78.62 C -ATOM 389 NH1 ARG A 47 25.404 38.956 11.716 1.00 78.85 N -ATOM 390 NH2 ARG A 47 25.381 36.711 12.189 1.00 80.96 N -ATOM 391 N ASP A 48 27.589 36.476 18.211 1.00 26.68 N -ATOM 392 CA ASP A 48 26.647 35.582 18.869 1.00 26.92 C -ATOM 393 C ASP A 48 27.033 35.181 20.295 1.00 24.70 C -ATOM 394 O ASP A 48 26.496 34.218 20.839 1.00 25.75 O -ATOM 395 CB ASP A 48 26.425 34.334 18.006 1.00 24.43 C -ATOM 396 CG ASP A 48 27.712 33.586 17.714 1.00 27.64 C -ATOM 397 OD1 ASP A 48 28.789 34.207 17.785 1.00 29.75 O -ATOM 398 OD2 ASP A 48 27.647 32.383 17.392 1.00 27.76 O -ATOM 399 N VAL A 49 27.963 35.909 20.905 1.00 25.88 N -ATOM 400 CA VAL A 49 28.349 35.602 22.284 1.00 22.89 C -ATOM 401 C VAL A 49 28.364 36.889 23.074 1.00 25.04 C -ATOM 402 O VAL A 49 29.285 37.704 22.964 1.00 22.36 O -ATOM 403 CB VAL A 49 29.722 34.929 22.377 1.00 20.95 C -ATOM 404 CG1 VAL A 49 30.056 34.619 23.840 1.00 16.96 C -ATOM 405 CG2 VAL A 49 29.720 33.653 21.557 1.00 13.73 C -ATOM 406 N SER A 50 27.328 37.061 23.883 1.00 22.27 N -ATOM 407 CA SER A 50 27.177 38.267 24.671 1.00 21.13 C -ATOM 408 C SER A 50 26.752 37.958 26.091 1.00 19.94 C -ATOM 409 O SER A 50 26.093 36.956 26.350 1.00 19.18 O -ATOM 410 CB SER A 50 26.121 39.165 24.019 1.00 19.50 C -ATOM 411 OG SER A 50 26.404 39.365 22.644 1.00 24.10 O -ATOM 412 N PRO A 51 27.125 38.823 27.033 1.00 19.81 N -ATOM 413 CA PRO A 51 26.764 38.632 28.434 1.00 21.60 C -ATOM 414 C PRO A 51 25.361 39.185 28.675 1.00 20.80 C -ATOM 415 O PRO A 51 25.008 40.213 28.105 1.00 20.10 O -ATOM 416 CB PRO A 51 27.810 39.450 29.157 1.00 19.58 C -ATOM 417 CG PRO A 51 27.961 40.636 28.241 1.00 21.87 C -ATOM 418 CD PRO A 51 28.015 39.988 26.873 1.00 20.45 C -ATOM 419 N PHE A 52 24.569 38.510 29.507 1.00 21.30 N -ATOM 420 CA PHE A 52 23.226 38.999 29.819 1.00 23.17 C -ATOM 421 C PHE A 52 23.399 40.284 30.618 1.00 26.18 C -ATOM 422 O PHE A 52 24.359 40.426 31.393 1.00 24.21 O -ATOM 423 CB PHE A 52 22.451 37.992 30.671 1.00 18.19 C -ATOM 424 CG PHE A 52 22.257 36.657 30.014 1.00 13.84 C -ATOM 425 CD1 PHE A 52 21.823 36.575 28.702 1.00 16.29 C -ATOM 426 CD2 PHE A 52 22.497 35.478 30.722 1.00 16.75 C -ATOM 427 CE1 PHE A 52 21.625 35.338 28.095 1.00 17.98 C -ATOM 428 CE2 PHE A 52 22.302 34.233 30.127 1.00 15.98 C -ATOM 429 CZ PHE A 52 21.865 34.164 28.810 1.00 19.36 C -ATOM 430 N ASP A 53 22.485 41.230 30.439 1.00 22.96 N -ATOM 431 CA ASP A 53 22.588 42.476 31.180 1.00 22.34 C -ATOM 432 C ASP A 53 22.570 42.247 32.686 1.00 22.61 C -ATOM 433 O ASP A 53 23.327 42.877 33.425 1.00 22.17 O -ATOM 434 CB ASP A 53 21.438 43.427 30.827 1.00 25.75 C -ATOM 435 CG ASP A 53 21.431 43.816 29.376 1.00 25.93 C -ATOM 436 OD1 ASP A 53 22.503 44.201 28.869 1.00 27.94 O -ATOM 437 OD2 ASP A 53 20.353 43.744 28.747 1.00 29.52 O -ATOM 438 N HIS A 54 21.715 41.342 33.147 1.00 19.84 N -ATOM 439 CA HIS A 54 21.587 41.112 34.581 1.00 22.62 C -ATOM 440 C HIS A 54 22.816 40.566 35.307 1.00 26.46 C -ATOM 441 O HIS A 54 22.972 40.780 36.516 1.00 26.48 O -ATOM 442 CB HIS A 54 20.373 40.218 34.848 1.00 21.83 C -ATOM 443 CG HIS A 54 20.662 38.753 34.775 1.00 25.79 C -ATOM 444 ND1 HIS A 54 21.204 38.052 35.830 1.00 21.74 N -ATOM 445 CD2 HIS A 54 20.472 37.853 33.781 1.00 23.89 C -ATOM 446 CE1 HIS A 54 21.335 36.783 35.491 1.00 21.26 C -ATOM 447 NE2 HIS A 54 20.898 36.635 34.252 1.00 25.57 N -ATOM 448 N SER A 55 23.695 39.880 34.585 1.00 25.57 N -ATOM 449 CA SER A 55 24.879 39.308 35.214 1.00 25.60 C -ATOM 450 C SER A 55 26.196 39.790 34.623 1.00 24.16 C -ATOM 451 O SER A 55 27.230 39.167 34.855 1.00 23.00 O -ATOM 452 CB SER A 55 24.821 37.775 35.134 1.00 21.42 C -ATOM 453 OG SER A 55 24.589 37.354 33.798 1.00 22.58 O -ATOM 454 N ARG A 56 26.176 40.881 33.862 1.00 20.66 N -ATOM 455 CA ARG A 56 27.420 41.369 33.275 1.00 23.14 C -ATOM 456 C ARG A 56 28.304 42.076 34.310 1.00 27.40 C -ATOM 457 O ARG A 56 27.810 42.658 35.280 1.00 26.88 O -ATOM 458 CB ARG A 56 27.142 42.333 32.111 1.00 22.81 C -ATOM 459 CG ARG A 56 26.738 43.762 32.522 1.00 23.79 C -ATOM 460 CD ARG A 56 26.355 44.597 31.300 1.00 23.51 C -ATOM 461 NE ARG A 56 25.932 45.950 31.662 1.00 22.67 N -ATOM 462 CZ ARG A 56 26.728 47.011 31.699 1.00 27.96 C -ATOM 463 NH1 ARG A 56 28.017 46.899 31.389 1.00 29.37 N -ATOM 464 NH2 ARG A 56 26.231 48.190 32.054 1.00 31.44 N -ATOM 465 N ILE A 57 29.616 42.005 34.103 1.00 28.45 N -ATOM 466 CA ILE A 57 30.567 42.672 34.984 1.00 23.93 C -ATOM 467 C ILE A 57 30.640 44.111 34.491 1.00 24.03 C -ATOM 468 O ILE A 57 30.830 44.348 33.300 1.00 24.39 O -ATOM 469 CB ILE A 57 31.982 42.083 34.857 1.00 26.97 C -ATOM 470 CG1 ILE A 57 31.980 40.599 35.229 1.00 24.91 C -ATOM 471 CG2 ILE A 57 32.943 42.887 35.721 1.00 25.98 C -ATOM 472 CD1 ILE A 57 31.583 40.329 36.648 1.00 30.86 C -ATOM 473 N LYS A 58 30.480 45.067 35.393 1.00 23.39 N -ATOM 474 CA LYS A 58 30.553 46.461 35.006 1.00 25.66 C -ATOM 475 C LYS A 58 31.898 47.066 35.398 1.00 26.65 C -ATOM 476 O LYS A 58 32.349 46.921 36.537 1.00 23.06 O -ATOM 477 CB LYS A 58 29.432 47.272 35.673 1.00 29.00 C -ATOM 478 CG LYS A 58 28.019 46.816 35.364 1.00 28.37 C -ATOM 479 CD LYS A 58 27.017 47.817 35.924 1.00 37.30 C -ATOM 480 CE LYS A 58 25.575 47.318 35.838 1.00 37.35 C -ATOM 481 NZ LYS A 58 25.305 46.176 36.764 1.00 47.55 N -ATOM 482 N LEU A 59 32.544 47.734 34.448 1.00 24.46 N -ATOM 483 CA LEU A 59 33.810 48.388 34.743 1.00 26.79 C -ATOM 484 C LEU A 59 33.446 49.615 35.566 1.00 30.95 C -ATOM 485 O LEU A 59 32.409 50.229 35.327 1.00 28.63 O -ATOM 486 CB LEU A 59 34.515 48.823 33.455 1.00 24.34 C -ATOM 487 CG LEU A 59 34.878 47.714 32.468 1.00 22.35 C -ATOM 488 CD1 LEU A 59 35.423 48.338 31.203 1.00 23.74 C -ATOM 489 CD2 LEU A 59 35.899 46.765 33.102 1.00 20.66 C -ATOM 490 N HIS A 60 34.281 49.962 36.542 1.00 36.03 N -ATOM 491 CA HIS A 60 34.019 51.128 37.372 1.00 41.14 C -ATOM 492 C HIS A 60 34.530 52.406 36.711 1.00 47.05 C -ATOM 493 O HIS A 60 35.539 52.973 37.119 1.00 47.17 O -ATOM 494 CB HIS A 60 34.670 50.968 38.749 1.00 39.91 C -ATOM 495 CG HIS A 60 34.201 49.761 39.505 1.00 38.95 C -ATOM 496 ND1 HIS A 60 34.664 49.448 40.764 1.00 35.67 N -ATOM 497 CD2 HIS A 60 33.326 48.781 39.171 1.00 38.70 C -ATOM 498 CE1 HIS A 60 34.095 48.328 41.176 1.00 38.02 C -ATOM 499 NE2 HIS A 60 33.280 47.902 40.227 1.00 39.16 N -ATOM 500 N GLN A 61 33.830 52.849 35.675 1.00 54.24 N -ATOM 501 CA GLN A 61 34.198 54.070 34.972 1.00 60.84 C -ATOM 502 C GLN A 61 32.937 54.650 34.345 1.00 63.31 C -ATOM 503 O GLN A 61 32.187 53.945 33.673 1.00 63.04 O -ATOM 504 CB GLN A 61 35.250 53.783 33.899 1.00 64.55 C -ATOM 505 CG GLN A 61 34.788 52.846 32.802 1.00 69.95 C -ATOM 506 CD GLN A 61 35.838 52.650 31.725 1.00 74.82 C -ATOM 507 OE1 GLN A 61 36.910 52.097 31.978 1.00 75.28 O -ATOM 508 NE2 GLN A 61 35.534 53.107 30.514 1.00 74.92 N -ATOM 509 N GLU A 62 32.708 55.936 34.585 1.00 67.23 N -ATOM 510 CA GLU A 62 31.532 56.636 34.077 1.00 69.49 C -ATOM 511 C GLU A 62 31.481 56.706 32.553 1.00 67.96 C -ATOM 512 O GLU A 62 30.419 56.927 31.973 1.00 66.70 O -ATOM 513 CB GLU A 62 31.495 58.048 34.660 1.00 75.15 C -ATOM 514 CG GLU A 62 31.516 58.076 36.180 1.00 82.45 C -ATOM 515 CD GLU A 62 31.950 59.421 36.733 1.00 88.32 C -ATOM 516 OE1 GLU A 62 33.111 59.823 36.487 1.00 91.31 O -ATOM 517 OE2 GLU A 62 31.132 60.077 37.413 1.00 90.73 O -ATOM 518 N ASP A 63 32.631 56.523 31.911 1.00 65.89 N -ATOM 519 CA ASP A 63 32.710 56.559 30.454 1.00 62.62 C -ATOM 520 C ASP A 63 31.879 55.413 29.877 1.00 58.74 C -ATOM 521 O ASP A 63 30.693 55.573 29.584 1.00 61.32 O -ATOM 522 CB ASP A 63 34.165 56.408 30.007 1.00 68.46 C -ATOM 523 CG ASP A 63 34.336 56.573 28.508 1.00 71.46 C -ATOM 524 OD1 ASP A 63 35.408 56.192 27.987 1.00 70.71 O -ATOM 525 OD2 ASP A 63 33.404 57.090 27.854 1.00 72.66 O -ATOM 526 N ASN A 64 32.518 54.261 29.711 1.00 48.53 N -ATOM 527 CA ASN A 64 31.854 53.073 29.195 1.00 40.63 C -ATOM 528 C ASN A 64 32.198 51.952 30.171 1.00 37.69 C -ATOM 529 O ASN A 64 33.366 51.598 30.320 1.00 39.39 O -ATOM 530 CB ASN A 64 32.376 52.724 27.803 1.00 36.30 C -ATOM 531 CG ASN A 64 31.548 51.651 27.128 1.00 33.66 C -ATOM 532 OD1 ASN A 64 30.964 50.800 27.794 1.00 35.07 O -ATOM 533 ND2 ASN A 64 31.507 51.674 25.800 1.00 29.23 N -ATOM 534 N ASP A 65 31.185 51.403 30.834 1.00 31.37 N -ATOM 535 CA ASP A 65 31.388 50.346 31.822 1.00 32.24 C -ATOM 536 C ASP A 65 31.275 48.958 31.221 1.00 28.65 C -ATOM 537 O ASP A 65 31.200 47.968 31.948 1.00 31.81 O -ATOM 538 CB ASP A 65 30.350 50.476 32.944 1.00 32.12 C -ATOM 539 CG ASP A 65 28.954 50.035 32.505 1.00 34.18 C -ATOM 540 OD1 ASP A 65 28.768 49.745 31.306 1.00 31.28 O -ATOM 541 OD2 ASP A 65 28.040 49.976 33.356 1.00 38.70 O -ATOM 542 N TYR A 66 31.277 48.877 29.897 1.00 28.14 N -ATOM 543 CA TYR A 66 31.108 47.593 29.245 1.00 25.72 C -ATOM 544 C TYR A 66 32.318 46.721 28.946 1.00 24.57 C -ATOM 545 O TYR A 66 33.356 47.182 28.470 1.00 25.54 O -ATOM 546 CB TYR A 66 30.335 47.753 27.939 1.00 24.27 C -ATOM 547 CG TYR A 66 30.069 46.408 27.303 1.00 25.42 C -ATOM 548 CD1 TYR A 66 29.069 45.573 27.805 1.00 19.29 C -ATOM 549 CD2 TYR A 66 30.875 45.927 26.261 1.00 22.47 C -ATOM 550 CE1 TYR A 66 28.873 44.290 27.296 1.00 21.95 C -ATOM 551 CE2 TYR A 66 30.688 44.633 25.740 1.00 23.04 C -ATOM 552 CZ TYR A 66 29.684 43.826 26.267 1.00 19.48 C -ATOM 553 OH TYR A 66 29.477 42.561 25.775 1.00 18.21 O -ATOM 554 N ILE A 67 32.134 45.433 29.219 1.00 23.44 N -ATOM 555 CA ILE A 67 33.121 44.409 28.950 1.00 21.58 C -ATOM 556 C ILE A 67 32.330 43.115 28.850 1.00 22.03 C -ATOM 557 O ILE A 67 31.429 42.859 29.654 1.00 24.03 O -ATOM 558 CB ILE A 67 34.192 44.290 30.061 1.00 19.49 C -ATOM 559 CG1 ILE A 67 35.223 43.227 29.664 1.00 15.04 C -ATOM 560 CG2 ILE A 67 33.555 43.901 31.385 1.00 20.04 C -ATOM 561 CD1 ILE A 67 36.472 43.212 30.552 1.00 14.05 C -ATOM 562 N ASN A 68 32.655 42.318 27.848 1.00 19.02 N -ATOM 563 CA ASN A 68 31.975 41.059 27.620 1.00 22.14 C -ATOM 564 C ASN A 68 32.395 40.010 28.650 1.00 23.90 C -ATOM 565 O ASN A 68 33.213 39.132 28.364 1.00 25.33 O -ATOM 566 CB ASN A 68 32.291 40.559 26.218 1.00 17.70 C -ATOM 567 CG ASN A 68 31.507 39.328 25.856 1.00 20.56 C -ATOM 568 OD1 ASN A 68 31.292 38.444 26.691 1.00 23.93 O -ATOM 569 ND2 ASN A 68 31.086 39.247 24.605 1.00 20.51 N -ATOM 570 N ALA A 69 31.831 40.108 29.845 1.00 19.69 N -ATOM 571 CA ALA A 69 32.144 39.177 30.919 1.00 21.52 C -ATOM 572 C ALA A 69 30.921 39.000 31.811 1.00 21.30 C -ATOM 573 O ALA A 69 30.120 39.921 31.976 1.00 20.88 O -ATOM 574 CB ALA A 69 33.326 39.691 31.736 1.00 16.32 C -ATOM 575 N SER A 70 30.791 37.817 32.393 1.00 19.51 N -ATOM 576 CA SER A 70 29.648 37.527 33.245 1.00 21.38 C -ATOM 577 C SER A 70 30.052 36.939 34.583 1.00 21.24 C -ATOM 578 O SER A 70 31.015 36.175 34.674 1.00 21.93 O -ATOM 579 CB SER A 70 28.720 36.534 32.538 1.00 18.33 C -ATOM 580 OG SER A 70 28.568 36.877 31.182 1.00 24.16 O -ATOM 581 N LEU A 71 29.305 37.295 35.622 1.00 18.04 N -ATOM 582 CA LEU A 71 29.560 36.752 36.946 1.00 16.01 C -ATOM 583 C LEU A 71 28.669 35.524 37.123 1.00 17.87 C -ATOM 584 O LEU A 71 27.443 35.635 37.126 1.00 23.13 O -ATOM 585 CB LEU A 71 29.229 37.778 38.030 1.00 16.64 C -ATOM 586 CG LEU A 71 29.121 37.211 39.454 1.00 20.88 C -ATOM 587 CD1 LEU A 71 30.445 36.560 39.843 1.00 21.76 C -ATOM 588 CD2 LEU A 71 28.756 38.320 40.451 1.00 20.28 C -ATOM 589 N ILE A 72 29.277 34.351 37.223 1.00 18.40 N -ATOM 590 CA ILE A 72 28.512 33.127 37.435 1.00 20.28 C -ATOM 591 C ILE A 72 28.562 32.908 38.939 1.00 25.00 C -ATOM 592 O ILE A 72 29.629 32.663 39.504 1.00 21.91 O -ATOM 593 CB ILE A 72 29.124 31.908 36.716 1.00 20.37 C -ATOM 594 CG1 ILE A 72 28.764 31.919 35.228 1.00 25.76 C -ATOM 595 CG2 ILE A 72 28.547 30.635 37.308 1.00 21.62 C -ATOM 596 CD1 ILE A 72 29.094 33.187 34.493 1.00 27.03 C -ATOM 597 N LYS A 73 27.407 33.013 39.587 1.00 24.79 N -ATOM 598 CA LYS A 73 27.339 32.883 41.037 1.00 26.89 C -ATOM 599 C LYS A 73 26.616 31.607 41.461 1.00 24.74 C -ATOM 600 O LYS A 73 25.401 31.512 41.328 1.00 28.47 O -ATOM 601 CB LYS A 73 26.644 34.129 41.601 1.00 23.92 C -ATOM 602 CG LYS A 73 26.899 34.393 43.076 1.00 34.93 C -ATOM 603 CD LYS A 73 27.032 35.890 43.359 1.00 42.31 C -ATOM 604 CE LYS A 73 25.750 36.662 43.084 1.00 43.67 C -ATOM 605 NZ LYS A 73 24.692 36.369 44.089 1.00 50.56 N -ATOM 606 N MET A 74 27.366 30.632 41.970 1.00 22.14 N -ATOM 607 CA MET A 74 26.776 29.359 42.394 1.00 27.02 C -ATOM 608 C MET A 74 26.563 29.326 43.896 1.00 29.26 C -ATOM 609 O MET A 74 27.432 28.900 44.657 1.00 30.44 O -ATOM 610 CB MET A 74 27.664 28.192 41.969 1.00 27.49 C -ATOM 611 CG MET A 74 27.966 28.176 40.485 1.00 26.79 C -ATOM 612 SD MET A 74 26.457 28.169 39.514 1.00 31.44 S -ATOM 613 CE MET A 74 25.982 26.453 39.697 1.00 25.10 C -ATOM 614 N GLU A 75 25.379 29.774 44.295 1.00 32.69 N -ATOM 615 CA GLU A 75 24.960 29.875 45.692 1.00 38.83 C -ATOM 616 C GLU A 75 25.276 28.675 46.596 1.00 33.87 C -ATOM 617 O GLU A 75 26.011 28.814 47.573 1.00 30.83 O -ATOM 618 CB GLU A 75 23.456 30.195 45.717 1.00 45.16 C -ATOM 619 CG GLU A 75 22.893 30.650 47.049 1.00 53.28 C -ATOM 620 CD GLU A 75 21.479 31.207 46.912 1.00 59.88 C -ATOM 621 OE1 GLU A 75 20.617 30.531 46.299 1.00 62.08 O -ATOM 622 OE2 GLU A 75 21.230 32.321 47.423 1.00 63.03 O -ATOM 623 N GLU A 76 24.740 27.501 46.275 1.00 34.18 N -ATOM 624 CA GLU A 76 24.991 26.318 47.100 1.00 34.48 C -ATOM 625 C GLU A 76 26.447 25.863 47.116 1.00 33.68 C -ATOM 626 O GLU A 76 26.978 25.478 48.159 1.00 34.09 O -ATOM 627 CB GLU A 76 24.126 25.143 46.645 1.00 33.85 C -ATOM 628 CG GLU A 76 24.416 23.869 47.433 1.00 33.87 C -ATOM 629 CD GLU A 76 23.699 22.668 46.880 1.00 37.80 C -ATOM 630 OE1 GLU A 76 23.040 22.809 45.828 1.00 39.91 O -ATOM 631 OE2 GLU A 76 23.800 21.584 47.490 1.00 35.66 O -ATOM 632 N ALA A 77 27.085 25.887 45.954 1.00 35.55 N -ATOM 633 CA ALA A 77 28.473 25.469 45.853 1.00 32.11 C -ATOM 634 C ALA A 77 29.373 26.446 46.584 1.00 33.75 C -ATOM 635 O ALA A 77 30.508 26.116 46.915 1.00 32.01 O -ATOM 636 CB ALA A 77 28.888 25.368 44.398 1.00 34.74 C -ATOM 637 N GLN A 78 28.877 27.653 46.832 1.00 34.52 N -ATOM 638 CA GLN A 78 29.680 28.648 47.536 1.00 35.35 C -ATOM 639 C GLN A 78 30.872 29.058 46.670 1.00 33.09 C -ATOM 640 O GLN A 78 31.956 29.307 47.181 1.00 34.30 O -ATOM 641 CB GLN A 78 30.194 28.050 48.846 1.00 40.22 C -ATOM 642 CG GLN A 78 30.063 28.948 50.056 1.00 50.62 C -ATOM 643 CD GLN A 78 28.624 29.261 50.387 1.00 55.04 C -ATOM 644 OE1 GLN A 78 27.972 30.041 49.691 1.00 58.75 O -ATOM 645 NE2 GLN A 78 28.112 28.644 51.451 1.00 54.55 N -ATOM 646 N ARG A 79 30.664 29.133 45.362 1.00 29.36 N -ATOM 647 CA ARG A 79 31.736 29.487 44.442 1.00 30.25 C -ATOM 648 C ARG A 79 31.245 30.464 43.370 1.00 28.69 C -ATOM 649 O ARG A 79 30.089 30.398 42.952 1.00 29.35 O -ATOM 650 CB ARG A 79 32.257 28.213 43.763 1.00 30.97 C -ATOM 651 CG ARG A 79 33.625 28.341 43.139 1.00 32.42 C -ATOM 652 CD ARG A 79 34.716 28.008 44.131 1.00 27.74 C -ATOM 653 NE ARG A 79 35.414 26.781 43.764 1.00 25.10 N -ATOM 654 CZ ARG A 79 36.169 26.084 44.602 1.00 23.72 C -ATOM 655 NH1 ARG A 79 36.314 26.510 45.846 1.00 26.28 N -ATOM 656 NH2 ARG A 79 36.758 24.959 44.213 1.00 25.36 N -ATOM 657 N SER A 80 32.120 31.368 42.935 1.00 22.71 N -ATOM 658 CA SER A 80 31.787 32.333 41.889 1.00 24.71 C -ATOM 659 C SER A 80 32.887 32.381 40.843 1.00 24.64 C -ATOM 660 O SER A 80 34.053 32.152 41.156 1.00 26.54 O -ATOM 661 CB SER A 80 31.613 33.735 42.465 1.00 21.50 C -ATOM 662 OG SER A 80 30.393 33.843 43.162 1.00 33.93 O -ATOM 663 N TYR A 81 32.522 32.666 39.598 1.00 22.36 N -ATOM 664 CA TYR A 81 33.513 32.769 38.538 1.00 20.88 C -ATOM 665 C TYR A 81 33.104 33.889 37.590 1.00 22.71 C -ATOM 666 O TYR A 81 31.921 34.183 37.423 1.00 21.82 O -ATOM 667 CB TYR A 81 33.630 31.467 37.723 1.00 19.58 C -ATOM 668 CG TYR A 81 33.502 30.163 38.495 1.00 19.88 C -ATOM 669 CD1 TYR A 81 32.253 29.692 38.887 1.00 20.86 C -ATOM 670 CD2 TYR A 81 34.617 29.366 38.769 1.00 20.69 C -ATOM 671 CE1 TYR A 81 32.102 28.460 39.523 1.00 20.02 C -ATOM 672 CE2 TYR A 81 34.476 28.113 39.414 1.00 20.56 C -ATOM 673 CZ TYR A 81 33.209 27.669 39.784 1.00 22.25 C -ATOM 674 OH TYR A 81 33.016 26.431 40.384 1.00 15.82 O -ATOM 675 N ILE A 82 34.086 34.547 36.998 1.00 20.52 N -ATOM 676 CA ILE A 82 33.785 35.574 36.013 1.00 18.01 C -ATOM 677 C ILE A 82 34.225 34.929 34.706 1.00 22.20 C -ATOM 678 O ILE A 82 35.410 34.632 34.531 1.00 22.32 O -ATOM 679 CB ILE A 82 34.588 36.879 36.240 1.00 19.41 C -ATOM 680 CG1 ILE A 82 34.152 37.549 37.547 1.00 16.09 C -ATOM 681 CG2 ILE A 82 34.377 37.830 35.060 1.00 18.07 C -ATOM 682 CD1 ILE A 82 34.950 38.801 37.904 1.00 24.48 C -ATOM 683 N LEU A 83 33.273 34.643 33.818 1.00 18.25 N -ATOM 684 CA LEU A 83 33.630 34.055 32.530 1.00 20.62 C -ATOM 685 C LEU A 83 33.676 35.183 31.513 1.00 24.10 C -ATOM 686 O LEU A 83 32.740 35.992 31.411 1.00 24.55 O -ATOM 687 CB LEU A 83 32.639 32.964 32.109 1.00 19.11 C -ATOM 688 CG LEU A 83 33.016 31.553 32.583 1.00 21.85 C -ATOM 689 CD1 LEU A 83 33.007 31.517 34.101 1.00 26.27 C -ATOM 690 CD2 LEU A 83 32.046 30.514 32.033 1.00 20.30 C -ATOM 691 N THR A 84 34.775 35.253 30.771 1.00 21.13 N -ATOM 692 CA THR A 84 34.938 36.328 29.814 1.00 19.22 C -ATOM 693 C THR A 84 35.554 35.835 28.503 1.00 18.52 C -ATOM 694 O THR A 84 36.057 34.725 28.424 1.00 18.26 O -ATOM 695 CB THR A 84 35.808 37.456 30.454 1.00 18.16 C -ATOM 696 OG1 THR A 84 35.741 38.632 29.650 1.00 14.68 O -ATOM 697 CG2 THR A 84 37.276 37.016 30.564 1.00 19.43 C -ATOM 698 N GLN A 85 35.480 36.648 27.458 1.00 21.99 N -ATOM 699 CA GLN A 85 36.062 36.269 26.168 1.00 21.02 C -ATOM 700 C GLN A 85 37.569 36.544 26.244 1.00 20.84 C -ATOM 701 O GLN A 85 38.027 37.251 27.134 1.00 20.70 O -ATOM 702 CB GLN A 85 35.455 37.117 25.048 1.00 17.95 C -ATOM 703 CG GLN A 85 35.617 38.621 25.287 1.00 19.60 C -ATOM 704 CD GLN A 85 35.046 39.485 24.166 1.00 22.13 C -ATOM 705 OE1 GLN A 85 34.116 39.084 23.467 1.00 20.15 O -ATOM 706 NE2 GLN A 85 35.591 40.694 24.012 1.00 18.96 N -ATOM 707 N GLY A 86 38.342 35.970 25.334 1.00 21.24 N -ATOM 708 CA GLY A 86 39.761 36.268 25.337 1.00 22.84 C -ATOM 709 C GLY A 86 39.750 37.740 24.963 1.00 22.87 C -ATOM 710 O GLY A 86 39.048 38.109 24.024 1.00 23.22 O -ATOM 711 N PRO A 87 40.484 38.611 25.673 1.00 22.71 N -ATOM 712 CA PRO A 87 40.481 40.034 25.329 1.00 21.94 C -ATOM 713 C PRO A 87 40.914 40.373 23.911 1.00 21.85 C -ATOM 714 O PRO A 87 41.644 39.620 23.259 1.00 25.91 O -ATOM 715 CB PRO A 87 41.399 40.652 26.385 1.00 24.41 C -ATOM 716 CG PRO A 87 42.305 39.524 26.756 1.00 25.39 C -ATOM 717 CD PRO A 87 41.353 38.359 26.832 1.00 20.32 C -ATOM 718 N LEU A 88 40.446 41.519 23.442 1.00 22.91 N -ATOM 719 CA LEU A 88 40.761 42.001 22.108 1.00 25.58 C -ATOM 720 C LEU A 88 41.886 43.030 22.167 1.00 26.59 C -ATOM 721 O LEU A 88 42.235 43.524 23.244 1.00 24.31 O -ATOM 722 CB LEU A 88 39.518 42.633 21.485 1.00 22.89 C -ATOM 723 CG LEU A 88 38.395 41.613 21.277 1.00 25.82 C -ATOM 724 CD1 LEU A 88 37.063 42.322 21.033 1.00 26.02 C -ATOM 725 CD2 LEU A 88 38.771 40.704 20.119 1.00 27.08 C -ATOM 726 N PRO A 89 42.474 43.358 21.000 1.00 29.21 N -ATOM 727 CA PRO A 89 43.560 44.340 20.955 1.00 27.74 C -ATOM 728 C PRO A 89 43.187 45.578 21.755 1.00 26.29 C -ATOM 729 O PRO A 89 44.013 46.143 22.471 1.00 28.71 O -ATOM 730 CB PRO A 89 43.695 44.624 19.463 1.00 29.32 C -ATOM 731 CG PRO A 89 43.424 43.262 18.866 1.00 33.05 C -ATOM 732 CD PRO A 89 42.216 42.792 19.662 1.00 24.29 C -ATOM 733 N ASN A 90 41.924 45.968 21.651 1.00 24.50 N -ATOM 734 CA ASN A 90 41.412 47.143 22.341 1.00 26.55 C -ATOM 735 C ASN A 90 40.756 46.922 23.715 1.00 27.51 C -ATOM 736 O ASN A 90 40.302 47.885 24.331 1.00 25.59 O -ATOM 737 CB ASN A 90 40.412 47.865 21.433 1.00 31.65 C -ATOM 738 CG ASN A 90 41.042 48.350 20.135 1.00 38.34 C -ATOM 739 OD1 ASN A 90 42.098 48.984 20.145 1.00 42.41 O -ATOM 740 ND2 ASN A 90 40.390 48.059 19.012 1.00 39.61 N -ATOM 741 N THR A 91 40.685 45.686 24.204 1.00 21.57 N -ATOM 742 CA THR A 91 40.053 45.480 25.506 1.00 22.03 C -ATOM 743 C THR A 91 40.976 44.907 26.581 1.00 24.77 C -ATOM 744 O THR A 91 40.510 44.516 27.649 1.00 25.34 O -ATOM 745 CB THR A 91 38.805 44.566 25.399 1.00 20.01 C -ATOM 746 OG1 THR A 91 39.200 43.253 25.003 1.00 18.31 O -ATOM 747 CG2 THR A 91 37.820 45.116 24.377 1.00 19.42 C -ATOM 748 N CYS A 92 42.278 44.851 26.306 1.00 21.86 N -ATOM 749 CA CYS A 92 43.232 44.334 27.287 1.00 21.79 C -ATOM 750 C CYS A 92 43.289 45.221 28.536 1.00 19.30 C -ATOM 751 O CYS A 92 43.397 44.729 29.657 1.00 15.14 O -ATOM 752 CB CYS A 92 44.626 44.225 26.668 1.00 23.27 C -ATOM 753 SG CYS A 92 44.773 42.941 25.407 1.00 27.89 S -ATOM 754 N GLY A 93 43.211 46.531 28.339 1.00 18.01 N -ATOM 755 CA GLY A 93 43.244 47.439 29.471 1.00 18.01 C -ATOM 756 C GLY A 93 41.995 47.255 30.307 1.00 23.91 C -ATOM 757 O GLY A 93 42.038 47.355 31.534 1.00 25.61 O -ATOM 758 N HIS A 94 40.877 46.985 29.631 1.00 21.34 N -ATOM 759 CA HIS A 94 39.590 46.769 30.289 1.00 22.93 C -ATOM 760 C HIS A 94 39.647 45.440 31.035 1.00 22.08 C -ATOM 761 O HIS A 94 39.123 45.302 32.149 1.00 25.81 O -ATOM 762 CB HIS A 94 38.463 46.713 29.242 1.00 24.02 C -ATOM 763 CG HIS A 94 38.337 47.956 28.410 1.00 22.57 C -ATOM 764 ND1 HIS A 94 37.758 47.957 27.158 1.00 23.51 N -ATOM 765 CD2 HIS A 94 38.706 49.237 28.653 1.00 19.83 C -ATOM 766 CE1 HIS A 94 37.779 49.183 26.665 1.00 26.52 C -ATOM 767 NE2 HIS A 94 38.348 49.979 27.554 1.00 25.30 N -ATOM 768 N PHE A 95 40.281 44.455 30.405 1.00 22.25 N -ATOM 769 CA PHE A 95 40.405 43.139 31.008 1.00 23.38 C -ATOM 770 C PHE A 95 41.115 43.225 32.353 1.00 23.92 C -ATOM 771 O PHE A 95 40.636 42.696 33.357 1.00 23.13 O -ATOM 772 CB PHE A 95 41.158 42.195 30.067 1.00 18.03 C -ATOM 773 CG PHE A 95 41.416 40.834 30.647 1.00 21.37 C -ATOM 774 CD1 PHE A 95 42.578 40.581 31.374 1.00 20.28 C -ATOM 775 CD2 PHE A 95 40.497 39.800 30.463 1.00 18.62 C -ATOM 776 CE1 PHE A 95 42.826 39.310 31.912 1.00 24.33 C -ATOM 777 CE2 PHE A 95 40.727 38.527 30.991 1.00 21.21 C -ATOM 778 CZ PHE A 95 41.895 38.276 31.718 1.00 23.07 C -ATOM 779 N TRP A 96 42.257 43.899 32.385 1.00 23.07 N -ATOM 780 CA TRP A 96 42.976 43.997 33.641 1.00 21.11 C -ATOM 781 C TRP A 96 42.280 44.941 34.617 1.00 22.57 C -ATOM 782 O TRP A 96 42.458 44.816 35.827 1.00 19.24 O -ATOM 783 CB TRP A 96 44.433 44.400 33.391 1.00 20.63 C -ATOM 784 CG TRP A 96 45.217 43.258 32.817 1.00 18.40 C -ATOM 785 CD1 TRP A 96 45.699 43.143 31.543 1.00 16.79 C -ATOM 786 CD2 TRP A 96 45.532 42.022 33.476 1.00 19.61 C -ATOM 787 NE1 TRP A 96 46.290 41.907 31.367 1.00 17.05 N -ATOM 788 CE2 TRP A 96 46.201 41.202 32.538 1.00 18.42 C -ATOM 789 CE3 TRP A 96 45.309 41.528 34.771 1.00 18.18 C -ATOM 790 CZ2 TRP A 96 46.652 39.912 32.853 1.00 17.54 C -ATOM 791 CZ3 TRP A 96 45.756 40.246 35.084 1.00 22.00 C -ATOM 792 CH2 TRP A 96 46.422 39.452 34.125 1.00 17.32 C -ATOM 793 N GLU A 97 41.477 45.871 34.101 1.00 23.50 N -ATOM 794 CA GLU A 97 40.747 46.778 34.984 1.00 24.61 C -ATOM 795 C GLU A 97 39.762 45.920 35.762 1.00 21.50 C -ATOM 796 O GLU A 97 39.592 46.069 36.969 1.00 21.88 O -ATOM 797 CB GLU A 97 39.954 47.833 34.201 1.00 26.88 C -ATOM 798 CG GLU A 97 39.244 48.841 35.116 1.00 24.26 C -ATOM 799 CD GLU A 97 38.375 49.838 34.355 1.00 27.94 C -ATOM 800 OE1 GLU A 97 38.568 49.983 33.138 1.00 29.46 O -ATOM 801 OE2 GLU A 97 37.506 50.490 34.974 1.00 27.98 O -ATOM 802 N MET A 98 39.113 45.010 35.050 1.00 22.98 N -ATOM 803 CA MET A 98 38.145 44.131 35.675 1.00 22.34 C -ATOM 804 C MET A 98 38.844 43.328 36.769 1.00 25.28 C -ATOM 805 O MET A 98 38.386 43.314 37.915 1.00 24.49 O -ATOM 806 CB MET A 98 37.529 43.198 34.624 1.00 20.83 C -ATOM 807 CG MET A 98 36.560 42.175 35.181 1.00 22.76 C -ATOM 808 SD MET A 98 35.683 41.221 33.908 1.00 28.07 S -ATOM 809 CE MET A 98 36.970 40.079 33.314 1.00 22.43 C -ATOM 810 N VAL A 99 39.956 42.675 36.420 1.00 23.42 N -ATOM 811 CA VAL A 99 40.685 41.866 37.390 1.00 24.07 C -ATOM 812 C VAL A 99 41.019 42.664 38.649 1.00 25.56 C -ATOM 813 O VAL A 99 40.968 42.133 39.759 1.00 27.34 O -ATOM 814 CB VAL A 99 41.993 41.290 36.797 1.00 25.10 C -ATOM 815 CG1 VAL A 99 42.824 40.642 37.910 1.00 21.47 C -ATOM 816 CG2 VAL A 99 41.671 40.250 35.724 1.00 18.06 C -ATOM 817 N TRP A 100 41.343 43.941 38.475 1.00 26.24 N -ATOM 818 CA TRP A 100 41.676 44.788 39.609 1.00 24.67 C -ATOM 819 C TRP A 100 40.439 45.160 40.411 1.00 26.51 C -ATOM 820 O TRP A 100 40.424 45.000 41.628 1.00 27.90 O -ATOM 821 CB TRP A 100 42.393 46.065 39.149 1.00 25.08 C -ATOM 822 CG TRP A 100 42.728 46.989 40.290 1.00 29.47 C -ATOM 823 CD1 TRP A 100 41.898 47.904 40.879 1.00 30.33 C -ATOM 824 CD2 TRP A 100 43.948 47.014 41.045 1.00 30.95 C -ATOM 825 NE1 TRP A 100 42.520 48.490 41.956 1.00 28.79 N -ATOM 826 CE2 TRP A 100 43.778 47.964 42.083 1.00 31.53 C -ATOM 827 CE3 TRP A 100 45.166 46.326 40.948 1.00 33.07 C -ATOM 828 CZ2 TRP A 100 44.781 48.241 43.020 1.00 30.87 C -ATOM 829 CZ3 TRP A 100 46.170 46.604 41.883 1.00 35.60 C -ATOM 830 CH2 TRP A 100 45.967 47.554 42.906 1.00 35.58 C -ATOM 831 N GLU A 101 39.403 45.646 39.732 1.00 23.63 N -ATOM 832 CA GLU A 101 38.178 46.059 40.413 1.00 24.24 C -ATOM 833 C GLU A 101 37.461 44.905 41.106 1.00 26.68 C -ATOM 834 O GLU A 101 36.933 45.071 42.203 1.00 26.31 O -ATOM 835 CB GLU A 101 37.238 46.772 39.425 1.00 26.04 C -ATOM 836 CG GLU A 101 37.887 48.014 38.795 1.00 24.04 C -ATOM 837 CD GLU A 101 37.037 48.720 37.748 1.00 23.58 C -ATOM 838 OE1 GLU A 101 36.112 48.103 37.180 1.00 24.21 O -ATOM 839 OE2 GLU A 101 37.322 49.906 37.479 1.00 24.00 O -ATOM 840 N GLN A 102 37.462 43.727 40.489 1.00 23.66 N -ATOM 841 CA GLN A 102 36.798 42.581 41.093 1.00 21.03 C -ATOM 842 C GLN A 102 37.671 41.874 42.124 1.00 21.63 C -ATOM 843 O GLN A 102 37.256 40.886 42.728 1.00 21.69 O -ATOM 844 CB GLN A 102 36.360 41.597 40.011 1.00 23.21 C -ATOM 845 CG GLN A 102 35.392 42.199 39.004 1.00 24.20 C -ATOM 846 CD GLN A 102 34.161 42.782 39.671 1.00 25.04 C -ATOM 847 OE1 GLN A 102 33.528 42.128 40.498 1.00 25.63 O -ATOM 848 NE2 GLN A 102 33.813 44.012 39.312 1.00 23.92 N -ATOM 849 N LYS A 103 38.887 42.375 42.317 1.00 21.92 N -ATOM 850 CA LYS A 103 39.801 41.805 43.300 1.00 21.71 C -ATOM 851 C LYS A 103 40.097 40.323 43.094 1.00 19.44 C -ATOM 852 O LYS A 103 40.173 39.556 44.058 1.00 20.39 O -ATOM 853 CB LYS A 103 39.247 42.020 44.708 1.00 21.04 C -ATOM 854 CG LYS A 103 39.022 43.477 45.066 1.00 25.79 C -ATOM 855 CD LYS A 103 38.495 43.617 46.492 1.00 33.98 C -ATOM 856 CE LYS A 103 38.179 45.066 46.817 1.00 36.44 C -ATOM 857 NZ LYS A 103 39.323 45.954 46.465 1.00 44.58 N -ATOM 858 N SER A 104 40.278 39.935 41.838 1.00 20.65 N -ATOM 859 CA SER A 104 40.581 38.555 41.478 1.00 21.36 C -ATOM 860 C SER A 104 42.032 38.201 41.804 1.00 21.79 C -ATOM 861 O SER A 104 42.933 39.017 41.647 1.00 21.67 O -ATOM 862 CB SER A 104 40.339 38.334 39.983 1.00 21.87 C -ATOM 863 OG SER A 104 38.990 38.583 39.634 1.00 23.72 O -ATOM 864 N ARG A 105 42.240 36.967 42.239 1.00 22.77 N -ATOM 865 CA ARG A 105 43.558 36.469 42.595 1.00 24.89 C -ATOM 866 C ARG A 105 44.125 35.662 41.436 1.00 26.04 C -ATOM 867 O ARG A 105 45.338 35.617 41.216 1.00 24.59 O -ATOM 868 CB ARG A 105 43.439 35.590 43.839 1.00 24.75 C -ATOM 869 CG ARG A 105 44.647 34.725 44.152 1.00 29.35 C -ATOM 870 CD ARG A 105 45.897 35.544 44.396 1.00 33.44 C -ATOM 871 NE ARG A 105 46.947 34.718 44.983 1.00 36.81 N -ATOM 872 CZ ARG A 105 48.240 35.024 44.968 1.00 39.35 C -ATOM 873 NH1 ARG A 105 48.651 36.147 44.393 1.00 38.13 N -ATOM 874 NH2 ARG A 105 49.121 34.199 45.519 1.00 38.04 N -ATOM 875 N GLY A 106 43.235 35.027 40.687 1.00 24.38 N -ATOM 876 CA GLY A 106 43.694 34.223 39.579 1.00 22.55 C -ATOM 877 C GLY A 106 43.002 34.463 38.259 1.00 23.19 C -ATOM 878 O GLY A 106 41.854 34.914 38.198 1.00 22.12 O -ATOM 879 N VAL A 107 43.738 34.190 37.190 1.00 22.29 N -ATOM 880 CA VAL A 107 43.223 34.300 35.844 1.00 18.39 C -ATOM 881 C VAL A 107 43.487 32.920 35.260 1.00 20.71 C -ATOM 882 O VAL A 107 44.618 32.429 35.296 1.00 22.84 O -ATOM 883 CB VAL A 107 43.980 35.344 35.004 1.00 18.54 C -ATOM 884 CG1 VAL A 107 43.556 35.231 33.540 1.00 21.08 C -ATOM 885 CG2 VAL A 107 43.686 36.738 35.510 1.00 14.76 C -ATOM 886 N VAL A 108 42.438 32.282 34.756 1.00 18.54 N -ATOM 887 CA VAL A 108 42.571 30.968 34.155 1.00 17.26 C -ATOM 888 C VAL A 108 42.381 31.083 32.645 1.00 19.09 C -ATOM 889 O VAL A 108 41.358 31.569 32.173 1.00 16.72 O -ATOM 890 CB VAL A 108 41.538 29.981 34.742 1.00 24.39 C -ATOM 891 CG1 VAL A 108 41.470 28.716 33.893 1.00 24.25 C -ATOM 892 CG2 VAL A 108 41.941 29.613 36.168 1.00 21.45 C -ATOM 893 N MET A 109 43.390 30.648 31.894 1.00 19.14 N -ATOM 894 CA MET A 109 43.343 30.696 30.441 1.00 20.12 C -ATOM 895 C MET A 109 43.312 29.270 29.909 1.00 20.57 C -ATOM 896 O MET A 109 44.156 28.446 30.269 1.00 24.07 O -ATOM 897 CB MET A 109 44.559 31.455 29.915 1.00 21.27 C -ATOM 898 CG MET A 109 44.762 31.398 28.403 1.00 17.24 C -ATOM 899 SD MET A 109 45.901 32.710 27.946 1.00 21.79 S -ATOM 900 CE MET A 109 45.804 32.648 26.135 1.00 19.04 C -ATOM 901 N LEU A 110 42.344 28.982 29.048 1.00 18.22 N -ATOM 902 CA LEU A 110 42.180 27.640 28.517 1.00 20.71 C -ATOM 903 C LEU A 110 42.472 27.511 27.029 1.00 22.21 C -ATOM 904 O LEU A 110 42.167 26.494 26.418 1.00 19.81 O -ATOM 905 CB LEU A 110 40.753 27.163 28.815 1.00 19.91 C -ATOM 906 CG LEU A 110 40.388 27.203 30.308 1.00 22.37 C -ATOM 907 CD1 LEU A 110 38.891 26.977 30.517 1.00 21.24 C -ATOM 908 CD2 LEU A 110 41.196 26.155 31.040 1.00 17.75 C -ATOM 909 N ASN A 111 43.063 28.543 26.442 1.00 22.17 N -ATOM 910 CA ASN A 111 43.374 28.501 25.024 1.00 25.43 C -ATOM 911 C ASN A 111 44.744 29.086 24.763 1.00 21.92 C -ATOM 912 O ASN A 111 45.421 29.528 25.684 1.00 20.37 O -ATOM 913 CB ASN A 111 42.311 29.271 24.224 1.00 19.58 C -ATOM 914 CG ASN A 111 42.329 30.771 24.492 1.00 25.80 C -ATOM 915 OD1 ASN A 111 42.821 31.234 25.516 1.00 25.21 O -ATOM 916 ND2 ASN A 111 41.766 31.536 23.564 1.00 32.26 N -ATOM 917 N ARG A 112 45.145 29.063 23.498 1.00 23.28 N -ATOM 918 CA ARG A 112 46.416 29.624 23.069 1.00 21.07 C -ATOM 919 C ARG A 112 46.101 30.878 22.264 1.00 24.05 C -ATOM 920 O ARG A 112 45.027 30.979 21.657 1.00 24.86 O -ATOM 921 CB ARG A 112 47.168 28.615 22.206 1.00 20.02 C -ATOM 922 CG ARG A 112 47.950 27.592 23.022 1.00 24.89 C -ATOM 923 CD ARG A 112 48.371 26.425 22.157 1.00 32.23 C -ATOM 924 NE ARG A 112 47.231 25.574 21.847 1.00 38.41 N -ATOM 925 CZ ARG A 112 46.824 25.287 20.618 1.00 44.03 C -ATOM 926 NH1 ARG A 112 47.470 25.792 19.569 1.00 44.92 N -ATOM 927 NH2 ARG A 112 45.773 24.488 20.440 1.00 45.29 N -ATOM 928 N VAL A 113 47.026 31.831 22.264 1.00 19.99 N -ATOM 929 CA VAL A 113 46.831 33.073 21.538 1.00 19.56 C -ATOM 930 C VAL A 113 46.502 32.795 20.077 1.00 22.07 C -ATOM 931 O VAL A 113 45.680 33.489 19.464 1.00 21.89 O -ATOM 932 CB VAL A 113 48.073 33.949 21.648 1.00 20.74 C -ATOM 933 CG1 VAL A 113 47.974 35.109 20.695 1.00 23.72 C -ATOM 934 CG2 VAL A 113 48.215 34.443 23.096 1.00 19.01 C -ATOM 935 N MET A 114 47.142 31.779 19.513 1.00 20.63 N -ATOM 936 CA MET A 114 46.860 31.417 18.141 1.00 22.47 C -ATOM 937 C MET A 114 46.471 29.962 18.052 1.00 22.59 C -ATOM 938 O MET A 114 47.176 29.097 18.568 1.00 21.03 O -ATOM 939 CB MET A 114 48.056 31.659 17.229 1.00 26.09 C -ATOM 940 CG MET A 114 47.757 31.177 15.800 1.00 32.77 C -ATOM 941 SD MET A 114 49.059 31.444 14.607 1.00 39.01 S -ATOM 942 CE MET A 114 48.802 33.190 14.242 1.00 38.51 C -ATOM 943 N GLU A 115 45.345 29.699 17.391 1.00 26.77 N -ATOM 944 CA GLU A 115 44.833 28.335 17.207 1.00 26.41 C -ATOM 945 C GLU A 115 44.260 28.208 15.800 1.00 23.83 C -ATOM 946 O GLU A 115 43.783 29.190 15.230 1.00 27.89 O -ATOM 947 CB GLU A 115 43.742 28.020 18.241 1.00 28.26 C -ATOM 948 CG GLU A 115 44.274 27.672 19.641 1.00 31.02 C -ATOM 949 CD GLU A 115 43.157 27.394 20.662 1.00 31.59 C -ATOM 950 OE1 GLU A 115 42.016 27.100 20.244 1.00 31.77 O -ATOM 951 OE2 GLU A 115 43.426 27.454 21.881 1.00 28.83 O -ATOM 952 N LYS A 116 44.309 27.003 15.242 1.00 24.37 N -ATOM 953 CA LYS A 116 43.804 26.771 13.891 1.00 27.84 C -ATOM 954 C LYS A 116 44.268 27.870 12.924 1.00 29.32 C -ATOM 955 O LYS A 116 43.561 28.216 11.975 1.00 31.76 O -ATOM 956 CB LYS A 116 42.267 26.671 13.904 1.00 25.51 C -ATOM 957 CG LYS A 116 41.749 25.497 14.740 1.00 27.43 C -ATOM 958 CD LYS A 116 40.236 25.308 14.638 1.00 33.08 C -ATOM 959 CE LYS A 116 39.451 26.491 15.204 1.00 34.36 C -ATOM 960 NZ LYS A 116 37.971 26.273 15.139 1.00 34.60 N -ATOM 961 N GLY A 117 45.455 28.419 13.188 1.00 26.44 N -ATOM 962 CA GLY A 117 46.019 29.449 12.332 1.00 25.90 C -ATOM 963 C GLY A 117 45.530 30.887 12.456 1.00 27.96 C -ATOM 964 O GLY A 117 45.879 31.727 11.623 1.00 25.76 O -ATOM 965 N SER A 118 44.726 31.198 13.468 1.00 27.25 N -ATOM 966 CA SER A 118 44.245 32.572 13.612 1.00 29.68 C -ATOM 967 C SER A 118 44.268 33.008 15.068 1.00 27.85 C -ATOM 968 O SER A 118 44.425 32.178 15.963 1.00 28.77 O -ATOM 969 CB SER A 118 42.831 32.705 13.026 1.00 30.81 C -ATOM 970 OG SER A 118 41.945 31.772 13.614 1.00 38.80 O -ATOM 971 N LEU A 119 44.135 34.306 15.308 1.00 28.05 N -ATOM 972 CA LEU A 119 44.160 34.809 16.671 1.00 29.24 C -ATOM 973 C LEU A 119 42.860 34.510 17.410 1.00 29.40 C -ATOM 974 O LEU A 119 41.776 34.840 16.943 1.00 28.85 O -ATOM 975 CB LEU A 119 44.441 36.314 16.687 1.00 30.92 C -ATOM 976 CG LEU A 119 45.822 36.773 16.213 1.00 36.41 C -ATOM 977 CD1 LEU A 119 46.891 35.861 16.795 1.00 37.97 C -ATOM 978 CD2 LEU A 119 45.888 36.742 14.703 1.00 43.29 C -ATOM 979 N LYS A 120 42.988 33.865 18.563 1.00 28.65 N -ATOM 980 CA LYS A 120 41.850 33.505 19.392 1.00 24.85 C -ATOM 981 C LYS A 120 41.849 34.380 20.630 1.00 27.41 C -ATOM 982 O LYS A 120 40.871 34.409 21.382 1.00 29.92 O -ATOM 983 CB LYS A 120 41.963 32.050 19.842 1.00 24.09 C -ATOM 984 CG LYS A 120 41.779 31.012 18.756 1.00 30.50 C -ATOM 985 CD LYS A 120 40.312 30.851 18.390 1.00 33.56 C -ATOM 986 CE LYS A 120 40.043 31.294 16.962 1.00 37.83 C -ATOM 987 NZ LYS A 120 40.862 30.541 15.974 1.00 37.84 N -ATOM 988 N CYS A 121 42.943 35.106 20.832 1.00 23.39 N -ATOM 989 CA CYS A 121 43.083 35.929 22.020 1.00 24.79 C -ATOM 990 C CYS A 121 44.285 36.852 21.870 1.00 25.76 C -ATOM 991 O CYS A 121 45.267 36.496 21.239 1.00 27.82 O -ATOM 992 CB CYS A 121 43.287 34.997 23.215 1.00 26.76 C -ATOM 993 SG CYS A 121 43.440 35.767 24.817 1.00 22.44 S -ATOM 994 N ALA A 122 44.212 38.038 22.454 1.00 26.07 N -ATOM 995 CA ALA A 122 45.318 38.973 22.358 1.00 24.36 C -ATOM 996 C ALA A 122 46.400 38.611 23.372 1.00 24.02 C -ATOM 997 O ALA A 122 46.120 37.963 24.384 1.00 22.15 O -ATOM 998 CB ALA A 122 44.816 40.396 22.606 1.00 20.63 C -ATOM 999 N GLN A 123 47.639 39.008 23.081 1.00 23.24 N -ATOM 1000 CA GLN A 123 48.760 38.763 23.997 1.00 24.96 C -ATOM 1001 C GLN A 123 48.548 39.828 25.066 1.00 25.15 C -ATOM 1002 O GLN A 123 49.043 40.948 24.949 1.00 22.05 O -ATOM 1003 CB GLN A 123 50.099 38.999 23.279 1.00 24.94 C -ATOM 1004 CG GLN A 123 51.325 38.594 24.092 1.00 23.11 C -ATOM 1005 CD GLN A 123 51.227 37.157 24.583 1.00 22.23 C -ATOM 1006 OE1 GLN A 123 51.121 36.230 23.784 1.00 26.20 O -ATOM 1007 NE2 GLN A 123 51.252 36.970 25.900 1.00 17.27 N -ATOM 1008 N TYR A 124 47.803 39.490 26.109 1.00 22.51 N -ATOM 1009 CA TYR A 124 47.497 40.483 27.121 1.00 20.63 C -ATOM 1010 C TYR A 124 48.389 40.505 28.352 1.00 21.28 C -ATOM 1011 O TYR A 124 48.144 41.263 29.284 1.00 18.55 O -ATOM 1012 CB TYR A 124 46.020 40.349 27.517 1.00 17.63 C -ATOM 1013 CG TYR A 124 45.671 39.046 28.187 1.00 17.64 C -ATOM 1014 CD1 TYR A 124 45.801 38.900 29.560 1.00 15.59 C -ATOM 1015 CD2 TYR A 124 45.226 37.947 27.445 1.00 16.30 C -ATOM 1016 CE1 TYR A 124 45.496 37.694 30.194 1.00 23.66 C -ATOM 1017 CE2 TYR A 124 44.922 36.729 28.069 1.00 17.24 C -ATOM 1018 CZ TYR A 124 45.059 36.616 29.442 1.00 20.53 C -ATOM 1019 OH TYR A 124 44.766 35.437 30.078 1.00 17.96 O -ATOM 1020 N TRP A 125 49.430 39.678 28.363 1.00 24.62 N -ATOM 1021 CA TRP A 125 50.338 39.660 29.502 1.00 24.33 C -ATOM 1022 C TRP A 125 51.763 39.697 28.968 1.00 25.42 C -ATOM 1023 O TRP A 125 52.025 39.240 27.862 1.00 23.19 O -ATOM 1024 CB TRP A 125 50.104 38.403 30.363 1.00 23.87 C -ATOM 1025 CG TRP A 125 50.623 37.139 29.747 1.00 21.79 C -ATOM 1026 CD1 TRP A 125 51.859 36.588 29.924 1.00 22.66 C -ATOM 1027 CD2 TRP A 125 49.943 36.306 28.798 1.00 20.71 C -ATOM 1028 NE1 TRP A 125 51.995 35.461 29.144 1.00 21.28 N -ATOM 1029 CE2 TRP A 125 50.834 35.265 28.441 1.00 23.01 C -ATOM 1030 CE3 TRP A 125 48.669 36.339 28.214 1.00 21.17 C -ATOM 1031 CZ2 TRP A 125 50.491 34.260 27.518 1.00 21.75 C -ATOM 1032 CZ3 TRP A 125 48.324 35.340 27.295 1.00 20.88 C -ATOM 1033 CH2 TRP A 125 49.236 34.313 26.959 1.00 25.00 C -ATOM 1034 N PRO A 126 52.701 40.261 29.742 1.00 26.54 N -ATOM 1035 CA PRO A 126 54.098 40.337 29.304 1.00 25.53 C -ATOM 1036 C PRO A 126 54.770 38.967 29.280 1.00 22.84 C -ATOM 1037 O PRO A 126 54.546 38.141 30.164 1.00 23.17 O -ATOM 1038 CB PRO A 126 54.726 41.288 30.325 1.00 23.05 C -ATOM 1039 CG PRO A 126 53.955 40.998 31.560 1.00 25.37 C -ATOM 1040 CD PRO A 126 52.527 40.909 31.051 1.00 25.21 C -ATOM 1041 N GLN A 127 55.596 38.737 28.264 1.00 23.70 N -ATOM 1042 CA GLN A 127 56.295 37.461 28.112 1.00 24.93 C -ATOM 1043 C GLN A 127 57.731 37.486 28.628 1.00 22.78 C -ATOM 1044 O GLN A 127 58.358 36.443 28.781 1.00 23.27 O -ATOM 1045 CB GLN A 127 56.268 37.034 26.642 1.00 24.46 C -ATOM 1046 CG GLN A 127 54.867 36.643 26.159 1.00 30.49 C -ATOM 1047 CD GLN A 127 54.760 36.576 24.638 1.00 30.16 C -ATOM 1048 OE1 GLN A 127 54.805 37.599 23.958 1.00 28.96 O -ATOM 1049 NE2 GLN A 127 54.617 35.369 24.106 1.00 29.28 N -ATOM 1050 N LYS A 128 58.253 38.675 28.893 1.00 21.47 N -ATOM 1051 CA LYS A 128 59.607 38.808 29.418 1.00 26.12 C -ATOM 1052 C LYS A 128 59.617 39.746 30.624 1.00 25.28 C -ATOM 1053 O LYS A 128 59.061 40.837 30.564 1.00 23.88 O -ATOM 1054 CB LYS A 128 60.554 39.357 28.339 1.00 26.99 C -ATOM 1055 CG LYS A 128 60.950 38.357 27.241 1.00 31.14 C -ATOM 1056 CD LYS A 128 62.018 38.981 26.335 1.00 37.88 C -ATOM 1057 CE LYS A 128 62.698 37.973 25.408 1.00 40.69 C -ATOM 1058 NZ LYS A 128 61.814 37.486 24.313 1.00 45.69 N -ATOM 1059 N GLU A 129 60.260 39.318 31.709 1.00 27.16 N -ATOM 1060 CA GLU A 129 60.367 40.119 32.937 1.00 25.27 C -ATOM 1061 C GLU A 129 60.739 41.590 32.701 1.00 24.87 C -ATOM 1062 O GLU A 129 60.136 42.491 33.290 1.00 20.61 O -ATOM 1063 CB GLU A 129 61.419 39.505 33.876 1.00 27.69 C -ATOM 1064 CG GLU A 129 60.984 38.228 34.600 1.00 24.31 C -ATOM 1065 CD GLU A 129 61.416 36.964 33.886 1.00 25.52 C -ATOM 1066 OE1 GLU A 129 61.601 37.013 32.651 1.00 25.85 O -ATOM 1067 OE2 GLU A 129 61.555 35.920 34.561 1.00 23.17 O -ATOM 1068 N GLU A 130 61.738 41.832 31.847 1.00 24.38 N -ATOM 1069 CA GLU A 130 62.205 43.199 31.578 1.00 27.05 C -ATOM 1070 C GLU A 130 61.329 44.016 30.634 1.00 28.20 C -ATOM 1071 O GLU A 130 61.609 45.194 30.388 1.00 26.45 O -ATOM 1072 CB GLU A 130 63.646 43.186 31.036 1.00 24.03 C -ATOM 1073 CG GLU A 130 63.800 42.516 29.671 1.00 26.06 C -ATOM 1074 CD GLU A 130 63.957 41.009 29.765 1.00 26.10 C -ATOM 1075 OE1 GLU A 130 63.709 40.434 30.843 1.00 27.71 O -ATOM 1076 OE2 GLU A 130 64.326 40.390 28.748 1.00 26.63 O -ATOM 1077 N LYS A 131 60.279 43.399 30.099 1.00 30.27 N -ATOM 1078 CA LYS A 131 59.368 44.099 29.188 1.00 30.42 C -ATOM 1079 C LYS A 131 57.982 44.187 29.819 1.00 29.29 C -ATOM 1080 O LYS A 131 57.070 43.481 29.403 1.00 26.19 O -ATOM 1081 CB LYS A 131 59.247 43.352 27.852 1.00 34.60 C -ATOM 1082 CG LYS A 131 60.518 43.284 27.009 1.00 41.69 C -ATOM 1083 CD LYS A 131 60.898 44.633 26.414 1.00 39.70 C -ATOM 1084 CE LYS A 131 62.082 44.482 25.470 1.00 45.31 C -ATOM 1085 NZ LYS A 131 62.552 45.777 24.892 1.00 44.28 N -ATOM 1086 N GLU A 132 57.820 45.037 30.827 1.00 28.56 N -ATOM 1087 CA GLU A 132 56.512 45.161 31.467 1.00 30.12 C -ATOM 1088 C GLU A 132 55.548 45.796 30.457 1.00 32.71 C -ATOM 1089 O GLU A 132 55.983 46.366 29.458 1.00 33.65 O -ATOM 1090 CB GLU A 132 56.593 46.035 32.728 1.00 18.93 C -ATOM 1091 CG GLU A 132 56.713 47.527 32.454 1.00 27.72 C -ATOM 1092 CD GLU A 132 58.145 47.975 32.180 1.00 32.32 C -ATOM 1093 OE1 GLU A 132 59.012 47.118 31.885 1.00 28.45 O -ATOM 1094 OE2 GLU A 132 58.396 49.193 32.259 1.00 30.48 O -ATOM 1095 N MET A 133 54.248 45.685 30.717 1.00 29.77 N -ATOM 1096 CA MET A 133 53.237 46.263 29.838 1.00 28.72 C -ATOM 1097 C MET A 133 52.509 47.344 30.607 1.00 26.55 C -ATOM 1098 O MET A 133 52.293 47.209 31.814 1.00 25.64 O -ATOM 1099 CB MET A 133 52.193 45.217 29.422 1.00 28.36 C -ATOM 1100 CG MET A 133 52.687 44.100 28.541 1.00 32.04 C -ATOM 1101 SD MET A 133 51.370 42.919 28.171 1.00 34.44 S -ATOM 1102 CE MET A 133 50.438 43.803 27.002 1.00 27.07 C -ATOM 1103 N ILE A 134 52.135 48.412 29.920 1.00 25.64 N -ATOM 1104 CA ILE A 134 51.372 49.473 30.553 1.00 30.34 C -ATOM 1105 C ILE A 134 50.129 49.754 29.713 1.00 31.02 C -ATOM 1106 O ILE A 134 50.206 49.962 28.507 1.00 31.33 O -ATOM 1107 CB ILE A 134 52.186 50.767 30.722 1.00 34.23 C -ATOM 1108 CG1 ILE A 134 53.192 50.589 31.864 1.00 35.95 C -ATOM 1109 CG2 ILE A 134 51.249 51.935 31.035 1.00 32.48 C -ATOM 1110 CD1 ILE A 134 54.019 51.815 32.148 1.00 39.07 C -ATOM 1111 N PHE A 135 48.980 49.744 30.368 1.00 30.85 N -ATOM 1112 CA PHE A 135 47.716 49.981 29.690 1.00 30.27 C -ATOM 1113 C PHE A 135 47.293 51.409 29.980 1.00 31.50 C -ATOM 1114 O PHE A 135 46.697 51.697 31.016 1.00 30.19 O -ATOM 1115 CB PHE A 135 46.693 48.979 30.206 1.00 26.79 C -ATOM 1116 CG PHE A 135 47.104 47.551 30.002 1.00 25.84 C -ATOM 1117 CD1 PHE A 135 46.913 46.929 28.776 1.00 24.73 C -ATOM 1118 CD2 PHE A 135 47.699 46.835 31.027 1.00 23.63 C -ATOM 1119 CE1 PHE A 135 47.309 45.614 28.577 1.00 24.58 C -ATOM 1120 CE2 PHE A 135 48.098 45.522 30.840 1.00 24.52 C -ATOM 1121 CZ PHE A 135 47.905 44.908 29.617 1.00 26.53 C -ATOM 1122 N GLU A 136 47.608 52.298 29.048 1.00 32.64 N -ATOM 1123 CA GLU A 136 47.320 53.710 29.215 1.00 35.44 C -ATOM 1124 C GLU A 136 45.857 54.056 29.441 1.00 34.98 C -ATOM 1125 O GLU A 136 45.545 54.870 30.305 1.00 34.25 O -ATOM 1126 CB GLU A 136 47.885 54.492 28.025 1.00 39.98 C -ATOM 1127 CG GLU A 136 49.350 54.153 27.754 1.00 50.79 C -ATOM 1128 CD GLU A 136 50.082 55.216 26.953 1.00 56.37 C -ATOM 1129 OE1 GLU A 136 50.261 56.336 27.479 1.00 58.16 O -ATOM 1130 OE2 GLU A 136 50.483 54.930 25.802 1.00 59.51 O -ATOM 1131 N ASP A 137 44.953 53.431 28.694 1.00 32.50 N -ATOM 1132 CA ASP A 137 43.540 53.737 28.864 1.00 32.28 C -ATOM 1133 C ASP A 137 43.008 53.519 30.288 1.00 31.74 C -ATOM 1134 O ASP A 137 42.278 54.361 30.803 1.00 31.83 O -ATOM 1135 CB ASP A 137 42.693 52.970 27.833 1.00 31.74 C -ATOM 1136 CG ASP A 137 42.867 51.461 27.910 1.00 34.85 C -ATOM 1137 OD1 ASP A 137 43.949 50.987 28.310 1.00 34.05 O -ATOM 1138 OD2 ASP A 137 41.914 50.744 27.539 1.00 36.53 O -ATOM 1139 N THR A 138 43.382 52.418 30.934 1.00 29.92 N -ATOM 1140 CA THR A 138 42.905 52.144 32.293 1.00 29.39 C -ATOM 1141 C THR A 138 43.947 52.416 33.384 1.00 31.14 C -ATOM 1142 O THR A 138 43.712 52.144 34.563 1.00 24.56 O -ATOM 1143 CB THR A 138 42.426 50.691 32.433 1.00 29.81 C -ATOM 1144 OG1 THR A 138 43.400 49.817 31.857 1.00 29.39 O -ATOM 1145 CG2 THR A 138 41.083 50.496 31.734 1.00 26.20 C -ATOM 1146 N ASN A 139 45.096 52.945 32.972 1.00 34.11 N -ATOM 1147 CA ASN A 139 46.188 53.287 33.875 1.00 34.26 C -ATOM 1148 C ASN A 139 46.681 52.133 34.747 1.00 35.17 C -ATOM 1149 O ASN A 139 46.749 52.250 35.978 1.00 36.43 O -ATOM 1150 CB ASN A 139 45.771 54.469 34.751 1.00 39.38 C -ATOM 1151 CG ASN A 139 46.955 55.206 35.329 1.00 44.14 C -ATOM 1152 OD1 ASN A 139 47.872 55.591 34.604 1.00 45.52 O -ATOM 1153 ND2 ASN A 139 46.941 55.414 36.640 1.00 44.83 N -ATOM 1154 N LEU A 140 47.038 51.024 34.101 1.00 32.23 N -ATOM 1155 CA LEU A 140 47.538 49.842 34.799 1.00 31.80 C -ATOM 1156 C LEU A 140 48.894 49.362 34.259 1.00 32.81 C -ATOM 1157 O LEU A 140 49.177 49.459 33.067 1.00 32.49 O -ATOM 1158 CB LEU A 140 46.514 48.707 34.699 1.00 29.56 C -ATOM 1159 CG LEU A 140 45.187 48.947 35.428 1.00 32.16 C -ATOM 1160 CD1 LEU A 140 44.167 47.907 35.025 1.00 29.98 C -ATOM 1161 CD2 LEU A 140 45.422 48.899 36.931 1.00 34.46 C -ATOM 1162 N LYS A 141 49.731 48.845 35.155 1.00 34.17 N -ATOM 1163 CA LYS A 141 51.048 48.338 34.789 1.00 31.21 C -ATOM 1164 C LYS A 141 51.082 46.852 35.123 1.00 26.74 C -ATOM 1165 O LYS A 141 50.739 46.453 36.230 1.00 26.01 O -ATOM 1166 CB LYS A 141 52.128 49.081 35.577 1.00 35.26 C -ATOM 1167 CG LYS A 141 53.551 48.655 35.271 1.00 42.13 C -ATOM 1168 CD LYS A 141 54.539 49.509 36.058 1.00 46.34 C -ATOM 1169 CE LYS A 141 55.971 49.021 35.892 1.00 50.98 C -ATOM 1170 NZ LYS A 141 56.941 49.813 36.707 1.00 49.09 N -ATOM 1171 N LEU A 142 51.497 46.035 34.165 1.00 25.44 N -ATOM 1172 CA LEU A 142 51.546 44.594 34.370 1.00 24.21 C -ATOM 1173 C LEU A 142 52.960 44.034 34.138 1.00 26.65 C -ATOM 1174 O LEU A 142 53.537 44.197 33.057 1.00 23.72 O -ATOM 1175 CB LEU A 142 50.556 43.924 33.425 1.00 22.48 C -ATOM 1176 CG LEU A 142 50.355 42.428 33.604 1.00 22.96 C -ATOM 1177 CD1 LEU A 142 49.844 42.149 35.017 1.00 22.12 C -ATOM 1178 CD2 LEU A 142 49.361 41.935 32.556 1.00 22.37 C -ATOM 1179 N THR A 143 53.502 43.352 35.142 1.00 25.64 N -ATOM 1180 CA THR A 143 54.857 42.816 35.032 1.00 25.64 C -ATOM 1181 C THR A 143 54.977 41.318 35.256 1.00 24.85 C -ATOM 1182 O THR A 143 54.441 40.773 36.226 1.00 24.06 O -ATOM 1183 CB THR A 143 55.787 43.507 36.031 1.00 24.56 C -ATOM 1184 OG1 THR A 143 55.669 44.925 35.877 1.00 25.01 O -ATOM 1185 CG2 THR A 143 57.228 43.084 35.795 1.00 28.44 C -ATOM 1186 N LEU A 144 55.685 40.652 34.353 1.00 22.53 N -ATOM 1187 CA LEU A 144 55.887 39.221 34.491 1.00 22.82 C -ATOM 1188 C LEU A 144 56.903 39.078 35.608 1.00 27.08 C -ATOM 1189 O LEU A 144 57.988 39.664 35.536 1.00 28.58 O -ATOM 1190 CB LEU A 144 56.446 38.622 33.208 1.00 22.90 C -ATOM 1191 CG LEU A 144 56.804 37.151 33.393 1.00 20.78 C -ATOM 1192 CD1 LEU A 144 55.530 36.349 33.682 1.00 21.30 C -ATOM 1193 CD2 LEU A 144 57.474 36.638 32.141 1.00 22.72 C -ATOM 1194 N ILE A 145 56.552 38.313 36.639 1.00 24.18 N -ATOM 1195 CA ILE A 145 57.427 38.125 37.785 1.00 25.51 C -ATOM 1196 C ILE A 145 58.188 36.811 37.732 1.00 27.38 C -ATOM 1197 O ILE A 145 59.361 36.757 38.093 1.00 27.27 O -ATOM 1198 CB ILE A 145 56.622 38.189 39.101 1.00 27.18 C -ATOM 1199 CG1 ILE A 145 56.069 39.600 39.292 1.00 26.95 C -ATOM 1200 CG2 ILE A 145 57.500 37.805 40.283 1.00 20.78 C -ATOM 1201 CD1 ILE A 145 57.153 40.696 39.297 1.00 29.26 C -ATOM 1202 N SER A 146 57.504 35.757 37.296 1.00 26.32 N -ATOM 1203 CA SER A 146 58.095 34.437 37.180 1.00 27.81 C -ATOM 1204 C SER A 146 57.158 33.577 36.340 1.00 32.64 C -ATOM 1205 O SER A 146 55.953 33.839 36.239 1.00 32.13 O -ATOM 1206 CB SER A 146 58.290 33.791 38.557 1.00 30.38 C -ATOM 1207 OG SER A 146 57.065 33.296 39.075 1.00 30.04 O -ATOM 1208 N GLU A 147 57.714 32.530 35.754 1.00 33.03 N -ATOM 1209 CA GLU A 147 56.945 31.658 34.899 1.00 34.29 C -ATOM 1210 C GLU A 147 57.389 30.234 35.130 1.00 34.77 C -ATOM 1211 O GLU A 147 58.577 29.965 35.284 1.00 33.94 O -ATOM 1212 CB GLU A 147 57.179 32.060 33.441 1.00 35.78 C -ATOM 1213 CG GLU A 147 56.498 31.171 32.423 1.00 40.86 C -ATOM 1214 CD GLU A 147 56.618 31.713 31.018 1.00 39.16 C -ATOM 1215 OE1 GLU A 147 57.756 31.959 30.576 1.00 44.69 O -ATOM 1216 OE2 GLU A 147 55.575 31.893 30.356 1.00 43.23 O -ATOM 1217 N ASP A 148 56.428 29.321 35.158 1.00 34.91 N -ATOM 1218 CA ASP A 148 56.734 27.922 35.374 1.00 31.90 C -ATOM 1219 C ASP A 148 56.042 27.095 34.311 1.00 33.01 C -ATOM 1220 O ASP A 148 54.834 26.851 34.382 1.00 33.63 O -ATOM 1221 CB ASP A 148 56.260 27.496 36.755 1.00 35.36 C -ATOM 1222 CG ASP A 148 56.856 26.187 37.186 1.00 37.28 C -ATOM 1223 OD1 ASP A 148 56.787 25.213 36.410 1.00 46.25 O -ATOM 1224 OD2 ASP A 148 57.395 26.132 38.307 1.00 47.11 O -ATOM 1225 N ILE A 149 56.815 26.664 33.322 1.00 32.65 N -ATOM 1226 CA ILE A 149 56.287 25.869 32.222 1.00 29.83 C -ATOM 1227 C ILE A 149 56.329 24.373 32.504 1.00 30.93 C -ATOM 1228 O ILE A 149 57.398 23.812 32.745 1.00 35.68 O -ATOM 1229 CB ILE A 149 57.084 26.125 30.929 1.00 31.16 C -ATOM 1230 CG1 ILE A 149 57.042 27.615 30.576 1.00 29.19 C -ATOM 1231 CG2 ILE A 149 56.523 25.277 29.792 1.00 27.68 C -ATOM 1232 CD1 ILE A 149 57.931 27.981 29.411 1.00 29.22 C -ATOM 1233 N LYS A 150 55.163 23.734 32.467 1.00 26.02 N -ATOM 1234 CA LYS A 150 55.059 22.299 32.680 1.00 27.64 C -ATOM 1235 C LYS A 150 54.561 21.707 31.383 1.00 26.92 C -ATOM 1236 O LYS A 150 54.286 22.434 30.431 1.00 27.01 O -ATOM 1237 CB LYS A 150 54.070 21.970 33.807 1.00 29.09 C -ATOM 1238 CG LYS A 150 54.481 22.477 35.165 1.00 34.60 C -ATOM 1239 CD LYS A 150 55.490 21.552 35.793 1.00 43.93 C -ATOM 1240 CE LYS A 150 55.336 21.542 37.307 1.00 45.79 C -ATOM 1241 NZ LYS A 150 56.115 20.431 37.918 1.00 51.12 N -ATOM 1242 N SER A 151 54.431 20.390 31.347 1.00 32.91 N -ATOM 1243 CA SER A 151 53.989 19.696 30.148 1.00 38.61 C -ATOM 1244 C SER A 151 52.636 20.121 29.582 1.00 37.95 C -ATOM 1245 O SER A 151 52.530 20.441 28.401 1.00 38.61 O -ATOM 1246 CB SER A 151 53.984 18.189 30.410 1.00 38.08 C -ATOM 1247 OG SER A 151 53.494 17.914 31.711 1.00 46.24 O -ATOM 1248 N TYR A 152 51.606 20.123 30.419 1.00 41.05 N -ATOM 1249 CA TYR A 152 50.261 20.468 29.969 1.00 40.23 C -ATOM 1250 C TYR A 152 49.764 21.872 30.339 1.00 38.73 C -ATOM 1251 O TYR A 152 48.673 22.274 29.926 1.00 36.79 O -ATOM 1252 CB TYR A 152 49.268 19.412 30.476 1.00 46.57 C -ATOM 1253 CG TYR A 152 49.290 19.204 31.979 1.00 57.28 C -ATOM 1254 CD1 TYR A 152 50.435 18.734 32.624 1.00 58.58 C -ATOM 1255 CD2 TYR A 152 48.168 19.486 32.759 1.00 58.78 C -ATOM 1256 CE1 TYR A 152 50.463 18.553 34.007 1.00 62.72 C -ATOM 1257 CE2 TYR A 152 48.186 19.308 34.143 1.00 62.32 C -ATOM 1258 CZ TYR A 152 49.336 18.842 34.759 1.00 64.18 C -ATOM 1259 OH TYR A 152 49.365 18.681 36.126 1.00 63.04 O -ATOM 1260 N TYR A 153 50.548 22.618 31.112 1.00 33.41 N -ATOM 1261 CA TYR A 153 50.139 23.970 31.498 1.00 32.30 C -ATOM 1262 C TYR A 153 51.327 24.787 31.986 1.00 29.43 C -ATOM 1263 O TYR A 153 52.389 24.246 32.266 1.00 28.23 O -ATOM 1264 CB TYR A 153 49.074 23.906 32.603 1.00 31.65 C -ATOM 1265 CG TYR A 153 49.623 23.555 33.970 1.00 36.21 C -ATOM 1266 CD1 TYR A 153 50.102 24.543 34.825 1.00 36.88 C -ATOM 1267 CD2 TYR A 153 49.694 22.230 34.395 1.00 36.91 C -ATOM 1268 CE1 TYR A 153 50.639 24.221 36.071 1.00 38.48 C -ATOM 1269 CE2 TYR A 153 50.231 21.898 35.638 1.00 39.42 C -ATOM 1270 CZ TYR A 153 50.701 22.900 36.470 1.00 39.06 C -ATOM 1271 OH TYR A 153 51.217 22.585 37.703 1.00 36.72 O -ATOM 1272 N THR A 154 51.140 26.099 32.067 1.00 27.51 N -ATOM 1273 CA THR A 154 52.173 27.001 32.555 1.00 23.91 C -ATOM 1274 C THR A 154 51.503 27.876 33.610 1.00 25.79 C -ATOM 1275 O THR A 154 50.344 28.258 33.453 1.00 26.77 O -ATOM 1276 CB THR A 154 52.731 27.911 31.417 1.00 21.84 C -ATOM 1277 OG1 THR A 154 53.446 27.116 30.466 1.00 23.03 O -ATOM 1278 CG2 THR A 154 53.670 28.960 31.981 1.00 21.21 C -ATOM 1279 N VAL A 155 52.202 28.149 34.704 1.00 23.15 N -ATOM 1280 CA VAL A 155 51.660 29.010 35.738 1.00 22.93 C -ATOM 1281 C VAL A 155 52.565 30.231 35.790 1.00 24.67 C -ATOM 1282 O VAL A 155 53.789 30.098 35.896 1.00 28.46 O -ATOM 1283 CB VAL A 155 51.677 28.351 37.136 1.00 25.23 C -ATOM 1284 CG1 VAL A 155 51.172 29.339 38.175 1.00 19.66 C -ATOM 1285 CG2 VAL A 155 50.809 27.118 37.146 1.00 30.91 C -ATOM 1286 N ARG A 156 51.979 31.417 35.709 1.00 22.14 N -ATOM 1287 CA ARG A 156 52.779 32.625 35.759 1.00 21.04 C -ATOM 1288 C ARG A 156 52.421 33.479 36.948 1.00 22.43 C -ATOM 1289 O ARG A 156 51.273 33.515 37.387 1.00 24.56 O -ATOM 1290 CB ARG A 156 52.613 33.451 34.479 1.00 15.47 C -ATOM 1291 CG ARG A 156 52.952 32.680 33.223 1.00 21.67 C -ATOM 1292 CD ARG A 156 52.980 33.577 31.982 1.00 22.06 C -ATOM 1293 NE ARG A 156 53.080 32.764 30.778 1.00 25.37 N -ATOM 1294 CZ ARG A 156 52.082 32.040 30.288 1.00 25.98 C -ATOM 1295 NH1 ARG A 156 50.904 32.033 30.891 1.00 30.91 N -ATOM 1296 NH2 ARG A 156 52.267 31.303 29.206 1.00 27.27 N -ATOM 1297 N GLN A 157 53.430 34.158 37.475 1.00 23.71 N -ATOM 1298 CA GLN A 157 53.235 35.048 38.601 1.00 24.69 C -ATOM 1299 C GLN A 157 53.336 36.427 37.967 1.00 24.31 C -ATOM 1300 O GLN A 157 54.297 36.721 37.256 1.00 22.68 O -ATOM 1301 CB GLN A 157 54.339 34.808 39.631 1.00 32.04 C -ATOM 1302 CG GLN A 157 53.960 35.125 41.057 1.00 39.05 C -ATOM 1303 CD GLN A 157 54.842 34.399 42.055 1.00 47.81 C -ATOM 1304 OE1 GLN A 157 56.069 34.491 42.001 1.00 50.83 O -ATOM 1305 NE2 GLN A 157 54.219 33.668 42.972 1.00 48.62 N -ATOM 1306 N LEU A 158 52.324 37.258 38.188 1.00 22.33 N -ATOM 1307 CA LEU A 158 52.300 38.590 37.606 1.00 21.26 C -ATOM 1308 C LEU A 158 52.022 39.643 38.664 1.00 23.73 C -ATOM 1309 O LEU A 158 51.265 39.404 39.611 1.00 25.92 O -ATOM 1310 CB LEU A 158 51.199 38.685 36.547 1.00 23.65 C -ATOM 1311 CG LEU A 158 51.069 37.620 35.460 1.00 25.21 C -ATOM 1312 CD1 LEU A 158 49.753 37.822 34.700 1.00 22.44 C -ATOM 1313 CD2 LEU A 158 52.253 37.708 34.515 1.00 22.68 C -ATOM 1314 N GLU A 159 52.632 40.812 38.508 1.00 24.79 N -ATOM 1315 CA GLU A 159 52.381 41.892 39.439 1.00 26.54 C -ATOM 1316 C GLU A 159 51.546 42.896 38.687 1.00 25.95 C -ATOM 1317 O GLU A 159 51.951 43.367 37.627 1.00 25.25 O -ATOM 1318 CB GLU A 159 53.667 42.569 39.913 1.00 29.58 C -ATOM 1319 CG GLU A 159 53.366 43.799 40.771 1.00 37.19 C -ATOM 1320 CD GLU A 159 54.578 44.337 41.513 1.00 43.33 C -ATOM 1321 OE1 GLU A 159 55.322 43.526 42.103 1.00 49.83 O -ATOM 1322 OE2 GLU A 159 54.775 45.571 41.526 1.00 45.72 O -ATOM 1323 N LEU A 160 50.371 43.204 39.226 1.00 24.45 N -ATOM 1324 CA LEU A 160 49.476 44.168 38.607 1.00 22.77 C -ATOM 1325 C LEU A 160 49.495 45.408 39.486 1.00 26.79 C -ATOM 1326 O LEU A 160 49.276 45.319 40.701 1.00 25.26 O -ATOM 1327 CB LEU A 160 48.058 43.585 38.520 1.00 22.63 C -ATOM 1328 CG LEU A 160 46.956 44.418 37.858 1.00 21.96 C -ATOM 1329 CD1 LEU A 160 47.323 44.706 36.427 1.00 19.46 C -ATOM 1330 CD2 LEU A 160 45.620 43.651 37.916 1.00 20.05 C -ATOM 1331 N GLU A 161 49.783 46.559 38.883 1.00 27.41 N -ATOM 1332 CA GLU A 161 49.837 47.808 39.631 1.00 30.66 C -ATOM 1333 C GLU A 161 48.834 48.847 39.172 1.00 32.18 C -ATOM 1334 O GLU A 161 48.674 49.092 37.973 1.00 30.45 O -ATOM 1335 CB GLU A 161 51.234 48.439 39.565 1.00 33.71 C -ATOM 1336 CG GLU A 161 51.290 49.847 40.190 1.00 37.13 C -ATOM 1337 CD GLU A 161 52.701 50.429 40.285 1.00 41.52 C -ATOM 1338 OE1 GLU A 161 52.839 51.574 40.770 1.00 42.25 O -ATOM 1339 OE2 GLU A 161 53.670 49.750 39.880 1.00 39.73 O -ATOM 1340 N ASN A 162 48.162 49.455 40.145 1.00 34.21 N -ATOM 1341 CA ASN A 162 47.200 50.509 39.867 1.00 37.11 C -ATOM 1342 C ASN A 162 48.032 51.783 39.894 1.00 35.72 C -ATOM 1343 O ASN A 162 48.299 52.334 40.961 1.00 38.42 O -ATOM 1344 CB ASN A 162 46.134 50.566 40.961 1.00 38.50 C -ATOM 1345 CG ASN A 162 45.018 51.546 40.640 1.00 40.83 C -ATOM 1346 OD1 ASN A 162 45.263 52.675 40.213 1.00 39.97 O -ATOM 1347 ND2 ASN A 162 43.781 51.118 40.860 1.00 42.91 N -ATOM 1348 N LEU A 163 48.453 52.238 38.719 1.00 35.30 N -ATOM 1349 CA LEU A 163 49.279 53.434 38.619 1.00 34.90 C -ATOM 1350 C LEU A 163 48.672 54.674 39.254 1.00 37.98 C -ATOM 1351 O LEU A 163 49.392 55.588 39.650 1.00 34.96 O -ATOM 1352 CB LEU A 163 49.620 53.710 37.156 1.00 28.48 C -ATOM 1353 CG LEU A 163 50.547 52.647 36.573 1.00 33.44 C -ATOM 1354 CD1 LEU A 163 50.889 52.966 35.124 1.00 25.81 C -ATOM 1355 CD2 LEU A 163 51.809 52.571 37.438 1.00 31.06 C -ATOM 1356 N THR A 164 47.350 54.710 39.360 1.00 40.59 N -ATOM 1357 CA THR A 164 46.699 55.863 39.957 1.00 43.90 C -ATOM 1358 C THR A 164 47.031 55.945 41.441 1.00 46.63 C -ATOM 1359 O THR A 164 47.363 57.016 41.950 1.00 47.88 O -ATOM 1360 CB THR A 164 45.165 55.799 39.782 1.00 44.28 C -ATOM 1361 OG1 THR A 164 44.835 55.922 38.392 1.00 39.22 O -ATOM 1362 CG2 THR A 164 44.492 56.925 40.554 1.00 43.20 C -ATOM 1363 N THR A 165 46.962 54.806 42.125 1.00 46.04 N -ATOM 1364 CA THR A 165 47.235 54.753 43.558 1.00 44.12 C -ATOM 1365 C THR A 165 48.599 54.157 43.903 1.00 45.60 C -ATOM 1366 O THR A 165 49.044 54.252 45.047 1.00 44.70 O -ATOM 1367 CB THR A 165 46.171 53.913 44.279 1.00 46.33 C -ATOM 1368 OG1 THR A 165 46.273 52.549 43.850 1.00 48.45 O -ATOM 1369 CG2 THR A 165 44.777 54.431 43.960 1.00 45.51 C -ATOM 1370 N GLN A 166 49.256 53.549 42.917 1.00 44.89 N -ATOM 1371 CA GLN A 166 50.560 52.906 43.105 1.00 42.67 C -ATOM 1372 C GLN A 166 50.435 51.649 43.950 1.00 40.69 C -ATOM 1373 O GLN A 166 51.420 51.123 44.468 1.00 40.38 O -ATOM 1374 CB GLN A 166 51.573 53.856 43.743 1.00 42.13 C -ATOM 1375 CG GLN A 166 52.146 54.868 42.779 1.00 47.59 C -ATOM 1376 CD GLN A 166 53.429 55.485 43.288 1.00 50.13 C -ATOM 1377 OE1 GLN A 166 53.456 56.091 44.358 1.00 52.09 O -ATOM 1378 NE2 GLN A 166 54.505 55.330 42.523 1.00 52.17 N -ATOM 1379 N GLU A 167 49.206 51.175 44.082 1.00 38.86 N -ATOM 1380 CA GLU A 167 48.913 49.958 44.829 1.00 37.85 C -ATOM 1381 C GLU A 167 49.274 48.781 43.908 1.00 34.29 C -ATOM 1382 O GLU A 167 49.180 48.905 42.682 1.00 32.65 O -ATOM 1383 CB GLU A 167 47.423 49.939 45.157 1.00 39.90 C -ATOM 1384 CG GLU A 167 46.997 49.006 46.263 1.00 43.65 C -ATOM 1385 CD GLU A 167 45.494 49.064 46.476 1.00 52.05 C -ATOM 1386 OE1 GLU A 167 44.931 50.189 46.421 1.00 51.00 O -ATOM 1387 OE2 GLU A 167 44.880 47.993 46.699 1.00 50.24 O -ATOM 1388 N THR A 168 49.685 47.653 44.483 1.00 32.02 N -ATOM 1389 CA THR A 168 50.053 46.478 43.678 1.00 32.67 C -ATOM 1390 C THR A 168 49.451 45.175 44.202 1.00 28.40 C -ATOM 1391 O THR A 168 49.153 45.039 45.386 1.00 31.05 O -ATOM 1392 CB THR A 168 51.585 46.250 43.635 1.00 32.21 C -ATOM 1393 OG1 THR A 168 52.036 45.859 44.933 1.00 36.39 O -ATOM 1394 CG2 THR A 168 52.315 47.502 43.221 1.00 32.76 C -ATOM 1395 N ARG A 169 49.298 44.211 43.309 1.00 26.92 N -ATOM 1396 CA ARG A 169 48.767 42.904 43.673 1.00 29.04 C -ATOM 1397 C ARG A 169 49.424 41.810 42.850 1.00 26.76 C -ATOM 1398 O ARG A 169 49.773 42.011 41.686 1.00 26.02 O -ATOM 1399 CB ARG A 169 47.258 42.840 43.430 1.00 30.80 C -ATOM 1400 CG ARG A 169 46.454 43.811 44.247 1.00 37.88 C -ATOM 1401 CD ARG A 169 44.988 43.710 43.903 1.00 36.63 C -ATOM 1402 NE ARG A 169 44.229 44.791 44.521 1.00 36.73 N -ATOM 1403 CZ ARG A 169 42.941 45.012 44.294 1.00 37.56 C -ATOM 1404 NH1 ARG A 169 42.277 44.217 43.459 1.00 26.64 N -ATOM 1405 NH2 ARG A 169 42.322 46.027 44.892 1.00 29.34 N -ATOM 1406 N GLU A 170 49.588 40.647 43.463 1.00 26.55 N -ATOM 1407 CA GLU A 170 50.151 39.513 42.764 1.00 30.33 C -ATOM 1408 C GLU A 170 48.982 38.774 42.140 1.00 28.25 C -ATOM 1409 O GLU A 170 47.995 38.486 42.814 1.00 29.41 O -ATOM 1410 CB GLU A 170 50.875 38.576 43.724 1.00 31.25 C -ATOM 1411 CG GLU A 170 51.288 37.268 43.058 1.00 41.44 C -ATOM 1412 CD GLU A 170 51.988 36.317 44.011 1.00 46.42 C -ATOM 1413 OE1 GLU A 170 51.338 35.831 44.962 1.00 49.58 O -ATOM 1414 OE2 GLU A 170 53.194 36.063 43.807 1.00 47.86 O -ATOM 1415 N ILE A 171 49.084 38.478 40.852 1.00 30.30 N -ATOM 1416 CA ILE A 171 48.026 37.751 40.153 1.00 25.70 C -ATOM 1417 C ILE A 171 48.589 36.442 39.603 1.00 22.58 C -ATOM 1418 O ILE A 171 49.643 36.434 38.998 1.00 24.19 O -ATOM 1419 CB ILE A 171 47.478 38.570 38.970 1.00 25.68 C -ATOM 1420 CG1 ILE A 171 47.005 39.952 39.441 1.00 24.97 C -ATOM 1421 CG2 ILE A 171 46.345 37.815 38.317 1.00 26.29 C -ATOM 1422 CD1 ILE A 171 45.846 39.919 40.438 1.00 21.38 C -ATOM 1423 N LEU A 172 47.905 35.331 39.819 1.00 22.23 N -ATOM 1424 CA LEU A 172 48.393 34.069 39.284 1.00 22.14 C -ATOM 1425 C LEU A 172 47.719 33.776 37.949 1.00 26.37 C -ATOM 1426 O LEU A 172 46.491 33.804 37.842 1.00 25.32 O -ATOM 1427 CB LEU A 172 48.121 32.926 40.258 1.00 20.14 C -ATOM 1428 CG LEU A 172 48.819 33.104 41.608 1.00 25.76 C -ATOM 1429 CD1 LEU A 172 48.417 31.978 42.546 1.00 22.82 C -ATOM 1430 CD2 LEU A 172 50.348 33.144 41.395 1.00 21.01 C -ATOM 1431 N HIS A 173 48.532 33.505 36.935 1.00 22.76 N -ATOM 1432 CA HIS A 173 48.026 33.193 35.607 1.00 21.68 C -ATOM 1433 C HIS A 173 48.175 31.689 35.392 1.00 21.60 C -ATOM 1434 O HIS A 173 49.291 31.174 35.316 1.00 20.10 O -ATOM 1435 CB HIS A 173 48.822 33.959 34.542 1.00 21.15 C -ATOM 1436 CG HIS A 173 48.186 33.954 33.183 1.00 26.20 C -ATOM 1437 ND1 HIS A 173 48.870 33.594 32.040 1.00 25.43 N -ATOM 1438 CD2 HIS A 173 46.936 34.286 32.779 1.00 27.38 C -ATOM 1439 CE1 HIS A 173 48.069 33.703 30.995 1.00 24.58 C -ATOM 1440 NE2 HIS A 173 46.890 34.122 31.415 1.00 22.95 N -ATOM 1441 N PHE A 174 47.043 30.991 35.341 1.00 22.20 N -ATOM 1442 CA PHE A 174 47.025 29.552 35.109 1.00 21.98 C -ATOM 1443 C PHE A 174 46.616 29.374 33.658 1.00 22.27 C -ATOM 1444 O PHE A 174 45.499 29.690 33.271 1.00 25.49 O -ATOM 1445 CB PHE A 174 46.045 28.883 36.065 1.00 23.61 C -ATOM 1446 CG PHE A 174 46.554 28.813 37.459 1.00 26.87 C -ATOM 1447 CD1 PHE A 174 47.452 27.812 37.828 1.00 32.81 C -ATOM 1448 CD2 PHE A 174 46.221 29.790 38.382 1.00 29.54 C -ATOM 1449 CE1 PHE A 174 48.012 27.791 39.095 1.00 32.94 C -ATOM 1450 CE2 PHE A 174 46.775 29.781 39.652 1.00 27.59 C -ATOM 1451 CZ PHE A 174 47.673 28.780 40.010 1.00 34.00 C -ATOM 1452 N HIS A 175 47.540 28.847 32.869 1.00 21.49 N -ATOM 1453 CA HIS A 175 47.352 28.696 31.442 1.00 21.43 C -ATOM 1454 C HIS A 175 47.378 27.245 30.989 1.00 22.44 C -ATOM 1455 O HIS A 175 48.432 26.606 30.977 1.00 28.12 O -ATOM 1456 CB HIS A 175 48.464 29.492 30.757 1.00 23.29 C -ATOM 1457 CG HIS A 175 48.320 29.608 29.274 1.00 27.93 C -ATOM 1458 ND1 HIS A 175 49.219 30.308 28.500 1.00 28.06 N -ATOM 1459 CD2 HIS A 175 47.397 29.109 28.421 1.00 25.12 C -ATOM 1460 CE1 HIS A 175 48.859 30.232 27.233 1.00 26.79 C -ATOM 1461 NE2 HIS A 175 47.757 29.510 27.157 1.00 27.48 N -ATOM 1462 N TYR A 176 46.217 26.710 30.639 1.00 22.09 N -ATOM 1463 CA TYR A 176 46.172 25.339 30.152 1.00 22.82 C -ATOM 1464 C TYR A 176 46.582 25.476 28.688 1.00 22.19 C -ATOM 1465 O TYR A 176 45.909 26.140 27.905 1.00 20.08 O -ATOM 1466 CB TYR A 176 44.769 24.764 30.286 1.00 19.91 C -ATOM 1467 CG TYR A 176 44.709 23.290 29.991 1.00 26.30 C -ATOM 1468 CD1 TYR A 176 44.282 22.823 28.748 1.00 22.47 C -ATOM 1469 CD2 TYR A 176 45.069 22.359 30.959 1.00 20.99 C -ATOM 1470 CE1 TYR A 176 44.208 21.457 28.483 1.00 25.33 C -ATOM 1471 CE2 TYR A 176 45.004 20.994 30.703 1.00 24.10 C -ATOM 1472 CZ TYR A 176 44.573 20.547 29.467 1.00 23.91 C -ATOM 1473 OH TYR A 176 44.511 19.196 29.217 1.00 22.43 O -ATOM 1474 N THR A 177 47.690 24.852 28.320 1.00 23.07 N -ATOM 1475 CA THR A 177 48.219 24.985 26.963 1.00 27.23 C -ATOM 1476 C THR A 177 48.015 23.835 25.986 1.00 27.62 C -ATOM 1477 O THR A 177 48.325 23.969 24.798 1.00 26.09 O -ATOM 1478 CB THR A 177 49.723 25.250 27.034 1.00 26.52 C -ATOM 1479 OG1 THR A 177 50.344 24.171 27.738 1.00 22.87 O -ATOM 1480 CG2 THR A 177 50.006 26.553 27.788 1.00 28.76 C -ATOM 1481 N THR A 178 47.481 22.719 26.464 1.00 29.00 N -ATOM 1482 CA THR A 178 47.308 21.550 25.606 1.00 30.57 C -ATOM 1483 C THR A 178 45.904 21.166 25.146 1.00 33.57 C -ATOM 1484 O THR A 178 45.657 20.002 24.832 1.00 31.46 O -ATOM 1485 CB THR A 178 47.936 20.329 26.281 1.00 33.93 C -ATOM 1486 OG1 THR A 178 47.393 20.190 27.603 1.00 33.17 O -ATOM 1487 CG2 THR A 178 49.459 20.501 26.368 1.00 25.91 C -ATOM 1488 N TRP A 179 44.979 22.122 25.108 1.00 31.93 N -ATOM 1489 CA TRP A 179 43.635 21.809 24.653 1.00 29.60 C -ATOM 1490 C TRP A 179 43.727 21.732 23.129 1.00 30.34 C -ATOM 1491 O TRP A 179 44.211 22.658 22.482 1.00 26.48 O -ATOM 1492 CB TRP A 179 42.656 22.901 25.093 1.00 28.85 C -ATOM 1493 CG TRP A 179 41.232 22.547 24.867 1.00 29.02 C -ATOM 1494 CD1 TRP A 179 40.576 22.513 23.671 1.00 28.23 C -ATOM 1495 CD2 TRP A 179 40.294 22.103 25.854 1.00 24.23 C -ATOM 1496 NE1 TRP A 179 39.287 22.068 23.853 1.00 28.57 N -ATOM 1497 CE2 TRP A 179 39.089 21.810 25.184 1.00 28.08 C -ATOM 1498 CE3 TRP A 179 40.358 21.921 27.241 1.00 28.30 C -ATOM 1499 CZ2 TRP A 179 37.952 21.339 25.854 1.00 29.04 C -ATOM 1500 CZ3 TRP A 179 39.230 21.454 27.909 1.00 29.52 C -ATOM 1501 CH2 TRP A 179 38.043 21.168 27.213 1.00 28.49 C -ATOM 1502 N PRO A 180 43.252 20.626 22.537 1.00 32.20 N -ATOM 1503 CA PRO A 180 43.285 20.417 21.086 1.00 32.42 C -ATOM 1504 C PRO A 180 42.573 21.484 20.261 1.00 34.96 C -ATOM 1505 O PRO A 180 41.608 22.102 20.719 1.00 34.98 O -ATOM 1506 CB PRO A 180 42.648 19.043 20.929 1.00 34.18 C -ATOM 1507 CG PRO A 180 41.627 19.040 22.023 1.00 35.20 C -ATOM 1508 CD PRO A 180 42.412 19.608 23.191 1.00 30.99 C -ATOM 1509 N ASP A 181 43.056 21.696 19.040 1.00 33.67 N -ATOM 1510 CA ASP A 181 42.461 22.682 18.147 1.00 34.39 C -ATOM 1511 C ASP A 181 41.038 22.274 17.816 1.00 34.15 C -ATOM 1512 O ASP A 181 40.165 23.120 17.641 1.00 36.09 O -ATOM 1513 CB ASP A 181 43.267 22.805 16.851 1.00 39.47 C -ATOM 1514 CG ASP A 181 44.357 23.854 16.936 1.00 43.53 C -ATOM 1515 OD1 ASP A 181 44.988 24.142 15.900 1.00 48.95 O -ATOM 1516 OD2 ASP A 181 44.581 24.393 18.038 1.00 47.45 O -ATOM 1517 N PHE A 182 40.818 20.970 17.726 1.00 31.95 N -ATOM 1518 CA PHE A 182 39.499 20.440 17.426 1.00 34.26 C -ATOM 1519 C PHE A 182 39.115 19.397 18.461 1.00 33.49 C -ATOM 1520 O PHE A 182 39.963 18.642 18.946 1.00 29.52 O -ATOM 1521 CB PHE A 182 39.463 19.801 16.031 1.00 37.79 C -ATOM 1522 CG PHE A 182 39.717 20.766 14.908 1.00 41.06 C -ATOM 1523 CD1 PHE A 182 40.999 20.950 14.408 1.00 41.61 C -ATOM 1524 CD2 PHE A 182 38.671 21.495 14.352 1.00 42.18 C -ATOM 1525 CE1 PHE A 182 41.235 21.845 13.370 1.00 44.30 C -ATOM 1526 CE2 PHE A 182 38.897 22.393 13.315 1.00 41.44 C -ATOM 1527 CZ PHE A 182 40.181 22.567 12.823 1.00 45.25 C -ATOM 1528 N GLY A 183 37.831 19.360 18.797 1.00 32.42 N -ATOM 1529 CA GLY A 183 37.360 18.393 19.765 1.00 30.68 C -ATOM 1530 C GLY A 183 37.774 18.686 21.194 1.00 30.54 C -ATOM 1531 O GLY A 183 38.156 19.810 21.532 1.00 26.50 O -ATOM 1532 N VAL A 184 37.698 17.657 22.032 1.00 30.32 N -ATOM 1533 CA VAL A 184 38.043 17.781 23.439 1.00 33.64 C -ATOM 1534 C VAL A 184 39.208 16.863 23.774 1.00 37.80 C -ATOM 1535 O VAL A 184 39.565 15.993 22.979 1.00 35.44 O -ATOM 1536 CB VAL A 184 36.845 17.402 24.323 1.00 35.22 C -ATOM 1537 CG1 VAL A 184 35.649 18.289 23.981 1.00 32.98 C -ATOM 1538 CG2 VAL A 184 36.504 15.927 24.128 1.00 32.11 C -ATOM 1539 N PRO A 185 39.819 17.047 24.957 1.00 38.35 N -ATOM 1540 CA PRO A 185 40.949 16.214 25.370 1.00 41.16 C -ATOM 1541 C PRO A 185 40.600 14.731 25.372 1.00 45.04 C -ATOM 1542 O PRO A 185 39.460 14.352 25.628 1.00 45.36 O -ATOM 1543 CB PRO A 185 41.263 16.732 26.769 1.00 38.07 C -ATOM 1544 CG PRO A 185 40.899 18.173 26.672 1.00 38.64 C -ATOM 1545 CD PRO A 185 39.578 18.114 25.944 1.00 37.60 C -ATOM 1546 N GLU A 186 41.591 13.896 25.083 1.00 49.36 N -ATOM 1547 CA GLU A 186 41.399 12.454 25.060 1.00 51.62 C -ATOM 1548 C GLU A 186 41.025 11.969 26.455 1.00 48.99 C -ATOM 1549 O GLU A 186 40.080 11.204 26.626 1.00 48.97 O -ATOM 1550 CB GLU A 186 42.685 11.762 24.592 1.00 58.73 C -ATOM 1551 CG GLU A 186 43.877 11.898 25.548 1.00 70.29 C -ATOM 1552 CD GLU A 186 44.199 13.342 25.910 1.00 75.25 C -ATOM 1553 OE1 GLU A 186 44.431 14.153 24.988 1.00 79.11 O -ATOM 1554 OE2 GLU A 186 44.224 13.667 27.118 1.00 75.26 O -ATOM 1555 N SER A 187 41.776 12.432 27.449 1.00 46.48 N -ATOM 1556 CA SER A 187 41.555 12.064 28.840 1.00 41.34 C -ATOM 1557 C SER A 187 41.469 13.319 29.701 1.00 38.64 C -ATOM 1558 O SER A 187 42.266 14.244 29.546 1.00 38.28 O -ATOM 1559 CB SER A 187 42.700 11.181 29.337 1.00 40.92 C -ATOM 1560 OG SER A 187 42.597 10.947 30.729 1.00 43.11 O -ATOM 1561 N PRO A 188 40.501 13.362 30.630 1.00 33.38 N -ATOM 1562 CA PRO A 188 40.324 14.518 31.511 1.00 29.73 C -ATOM 1563 C PRO A 188 41.454 14.639 32.522 1.00 27.95 C -ATOM 1564 O PRO A 188 41.540 15.621 33.257 1.00 28.11 O -ATOM 1565 CB PRO A 188 38.984 14.230 32.178 1.00 29.60 C -ATOM 1566 CG PRO A 188 39.003 12.741 32.308 1.00 27.67 C -ATOM 1567 CD PRO A 188 39.529 12.301 30.955 1.00 31.83 C -ATOM 1568 N ALA A 189 42.324 13.636 32.539 1.00 27.92 N -ATOM 1569 CA ALA A 189 43.446 13.582 33.474 1.00 29.53 C -ATOM 1570 C ALA A 189 44.201 14.895 33.695 1.00 29.96 C -ATOM 1571 O ALA A 189 44.198 15.442 34.804 1.00 25.52 O -ATOM 1572 CB ALA A 189 44.421 12.496 33.044 1.00 32.13 C -ATOM 1573 N SER A 190 44.847 15.394 32.645 1.00 27.73 N -ATOM 1574 CA SER A 190 45.615 16.628 32.744 1.00 29.28 C -ATOM 1575 C SER A 190 44.726 17.847 33.018 1.00 27.43 C -ATOM 1576 O SER A 190 45.124 18.755 33.747 1.00 28.11 O -ATOM 1577 CB SER A 190 46.432 16.835 31.464 1.00 32.67 C -ATOM 1578 OG SER A 190 45.595 16.936 30.329 1.00 40.08 O -ATOM 1579 N PHE A 191 43.528 17.869 32.437 1.00 26.62 N -ATOM 1580 CA PHE A 191 42.601 18.984 32.655 1.00 22.83 C -ATOM 1581 C PHE A 191 42.249 19.051 34.144 1.00 26.25 C -ATOM 1582 O PHE A 191 42.196 20.139 34.738 1.00 24.00 O -ATOM 1583 CB PHE A 191 41.314 18.789 31.847 1.00 25.47 C -ATOM 1584 CG PHE A 191 40.359 19.962 31.916 1.00 24.08 C -ATOM 1585 CD1 PHE A 191 40.671 21.168 31.298 1.00 25.32 C -ATOM 1586 CD2 PHE A 191 39.149 19.853 32.591 1.00 24.35 C -ATOM 1587 CE1 PHE A 191 39.784 22.255 31.349 1.00 33.92 C -ATOM 1588 CE2 PHE A 191 38.256 20.931 32.650 1.00 24.87 C -ATOM 1589 CZ PHE A 191 38.574 22.132 32.027 1.00 28.26 C -ATOM 1590 N LEU A 192 42.015 17.885 34.742 1.00 22.85 N -ATOM 1591 CA LEU A 192 41.670 17.819 36.155 1.00 25.96 C -ATOM 1592 C LEU A 192 42.825 18.280 37.033 1.00 26.11 C -ATOM 1593 O LEU A 192 42.626 19.080 37.940 1.00 28.63 O -ATOM 1594 CB LEU A 192 41.239 16.399 36.541 1.00 25.17 C -ATOM 1595 CG LEU A 192 39.829 15.985 36.100 1.00 30.93 C -ATOM 1596 CD1 LEU A 192 39.621 14.507 36.399 1.00 27.51 C -ATOM 1597 CD2 LEU A 192 38.779 16.830 36.820 1.00 20.73 C -ATOM 1598 N ASN A 193 44.031 17.786 36.769 1.00 27.33 N -ATOM 1599 CA ASN A 193 45.188 18.202 37.557 1.00 31.15 C -ATOM 1600 C ASN A 193 45.368 19.714 37.484 1.00 29.89 C -ATOM 1601 O ASN A 193 45.739 20.355 38.468 1.00 32.45 O -ATOM 1602 CB ASN A 193 46.458 17.508 37.069 1.00 36.26 C -ATOM 1603 CG ASN A 193 46.698 16.192 37.770 1.00 43.95 C -ATOM 1604 OD1 ASN A 193 46.082 15.176 37.449 1.00 48.29 O -ATOM 1605 ND2 ASN A 193 47.587 16.208 38.754 1.00 48.15 N -ATOM 1606 N PHE A 194 45.099 20.274 36.308 1.00 25.01 N -ATOM 1607 CA PHE A 194 45.201 21.711 36.108 1.00 21.17 C -ATOM 1608 C PHE A 194 44.202 22.399 37.047 1.00 21.37 C -ATOM 1609 O PHE A 194 44.543 23.354 37.743 1.00 21.43 O -ATOM 1610 CB PHE A 194 44.877 22.049 34.651 1.00 16.17 C -ATOM 1611 CG PHE A 194 44.777 23.516 34.379 1.00 19.29 C -ATOM 1612 CD1 PHE A 194 45.907 24.318 34.402 1.00 18.68 C -ATOM 1613 CD2 PHE A 194 43.543 24.101 34.104 1.00 14.13 C -ATOM 1614 CE1 PHE A 194 45.818 25.695 34.152 1.00 19.50 C -ATOM 1615 CE2 PHE A 194 43.441 25.462 33.855 1.00 15.74 C -ATOM 1616 CZ PHE A 194 44.577 26.264 33.877 1.00 19.42 C -ATOM 1617 N LEU A 195 42.967 21.902 37.068 1.00 21.26 N -ATOM 1618 CA LEU A 195 41.937 22.470 37.932 1.00 21.59 C -ATOM 1619 C LEU A 195 42.406 22.432 39.388 1.00 24.71 C -ATOM 1620 O LEU A 195 42.331 23.427 40.114 1.00 25.10 O -ATOM 1621 CB LEU A 195 40.631 21.672 37.797 1.00 20.50 C -ATOM 1622 CG LEU A 195 39.537 21.987 38.825 1.00 22.68 C -ATOM 1623 CD1 LEU A 195 39.121 23.442 38.700 1.00 20.26 C -ATOM 1624 CD2 LEU A 195 38.339 21.074 38.600 1.00 20.96 C -ATOM 1625 N PHE A 196 42.895 21.271 39.806 1.00 25.66 N -ATOM 1626 CA PHE A 196 43.365 21.106 41.171 1.00 29.84 C -ATOM 1627 C PHE A 196 44.488 22.068 41.507 1.00 29.43 C -ATOM 1628 O PHE A 196 44.580 22.541 42.635 1.00 30.47 O -ATOM 1629 CB PHE A 196 43.803 19.662 41.393 1.00 35.81 C -ATOM 1630 CG PHE A 196 42.661 18.732 41.665 1.00 41.66 C -ATOM 1631 CD1 PHE A 196 41.621 18.603 40.758 1.00 42.25 C -ATOM 1632 CD2 PHE A 196 42.614 17.999 42.847 1.00 50.80 C -ATOM 1633 CE1 PHE A 196 40.546 17.761 41.017 1.00 45.76 C -ATOM 1634 CE2 PHE A 196 41.541 17.150 43.119 1.00 53.49 C -ATOM 1635 CZ PHE A 196 40.504 17.034 42.198 1.00 52.86 C -ATOM 1636 N LYS A 197 45.329 22.372 40.522 1.00 30.68 N -ATOM 1637 CA LYS A 197 46.427 23.305 40.737 1.00 29.20 C -ATOM 1638 C LYS A 197 45.863 24.697 40.959 1.00 27.92 C -ATOM 1639 O LYS A 197 46.412 25.489 41.728 1.00 30.58 O -ATOM 1640 CB LYS A 197 47.384 23.296 39.538 1.00 32.67 C -ATOM 1641 CG LYS A 197 48.694 22.588 39.829 1.00 40.77 C -ATOM 1642 CD LYS A 197 48.458 21.183 40.363 1.00 45.79 C -ATOM 1643 CE LYS A 197 49.743 20.554 40.892 1.00 48.98 C -ATOM 1644 NZ LYS A 197 50.796 20.484 39.850 1.00 45.58 N -ATOM 1645 N VAL A 198 44.762 24.999 40.280 1.00 24.56 N -ATOM 1646 CA VAL A 198 44.125 26.294 40.453 1.00 23.04 C -ATOM 1647 C VAL A 198 43.505 26.328 41.853 1.00 21.21 C -ATOM 1648 O VAL A 198 43.618 27.323 42.575 1.00 18.94 O -ATOM 1649 CB VAL A 198 43.027 26.529 39.388 1.00 23.36 C -ATOM 1650 CG1 VAL A 198 42.279 27.821 39.689 1.00 18.78 C -ATOM 1651 CG2 VAL A 198 43.664 26.619 38.001 1.00 17.13 C -ATOM 1652 N ARG A 199 42.861 25.233 42.240 1.00 23.20 N -ATOM 1653 CA ARG A 199 42.240 25.168 43.562 1.00 26.64 C -ATOM 1654 C ARG A 199 43.305 25.411 44.618 1.00 27.43 C -ATOM 1655 O ARG A 199 43.123 26.216 45.528 1.00 31.67 O -ATOM 1656 CB ARG A 199 41.608 23.795 43.805 1.00 25.58 C -ATOM 1657 CG ARG A 199 40.312 23.539 43.047 1.00 26.33 C -ATOM 1658 CD ARG A 199 39.690 22.218 43.479 1.00 23.42 C -ATOM 1659 NE ARG A 199 38.272 22.168 43.148 1.00 28.14 N -ATOM 1660 CZ ARG A 199 37.444 21.196 43.519 1.00 27.43 C -ATOM 1661 NH1 ARG A 199 37.893 20.177 44.242 1.00 27.29 N -ATOM 1662 NH2 ARG A 199 36.161 21.251 43.177 1.00 21.88 N -ATOM 1663 N GLU A 200 44.425 24.713 44.468 1.00 27.10 N -ATOM 1664 CA GLU A 200 45.529 24.805 45.405 1.00 27.50 C -ATOM 1665 C GLU A 200 46.105 26.200 45.594 1.00 28.29 C -ATOM 1666 O GLU A 200 46.536 26.535 46.692 1.00 31.98 O -ATOM 1667 CB GLU A 200 46.627 23.829 44.987 1.00 30.01 C -ATOM 1668 CG GLU A 200 46.362 22.397 45.425 1.00 36.79 C -ATOM 1669 CD GLU A 200 47.279 21.394 44.750 1.00 42.29 C -ATOM 1670 OE1 GLU A 200 48.420 21.766 44.397 1.00 45.58 O -ATOM 1671 OE2 GLU A 200 46.861 20.229 44.583 1.00 40.88 O -ATOM 1672 N SER A 201 46.110 27.009 44.539 1.00 27.49 N -ATOM 1673 CA SER A 201 46.646 28.367 44.616 1.00 27.81 C -ATOM 1674 C SER A 201 45.827 29.276 45.517 1.00 28.26 C -ATOM 1675 O SER A 201 46.323 30.300 45.988 1.00 30.37 O -ATOM 1676 CB SER A 201 46.707 29.005 43.222 1.00 24.51 C -ATOM 1677 OG SER A 201 45.408 29.231 42.692 1.00 24.05 O -ATOM 1678 N GLY A 202 44.570 28.914 45.738 1.00 29.82 N -ATOM 1679 CA GLY A 202 43.702 29.732 46.568 1.00 29.66 C -ATOM 1680 C GLY A 202 42.870 30.698 45.742 1.00 30.13 C -ATOM 1681 O GLY A 202 41.988 31.370 46.264 1.00 32.41 O -ATOM 1682 N SER A 203 43.134 30.751 44.441 1.00 28.11 N -ATOM 1683 CA SER A 203 42.419 31.661 43.546 1.00 29.12 C -ATOM 1684 C SER A 203 40.904 31.467 43.477 1.00 30.88 C -ATOM 1685 O SER A 203 40.181 32.388 43.085 1.00 31.14 O -ATOM 1686 CB SER A 203 43.007 31.571 42.138 1.00 25.07 C -ATOM 1687 OG SER A 203 44.388 31.889 42.156 1.00 30.84 O -ATOM 1688 N LEU A 204 40.425 30.283 43.853 1.00 28.70 N -ATOM 1689 CA LEU A 204 38.994 30.003 43.810 1.00 30.54 C -ATOM 1690 C LEU A 204 38.325 30.205 45.159 1.00 31.28 C -ATOM 1691 O LEU A 204 37.099 30.147 45.263 1.00 32.52 O -ATOM 1692 CB LEU A 204 38.738 28.563 43.352 1.00 32.24 C -ATOM 1693 CG LEU A 204 39.445 28.103 42.080 1.00 36.82 C -ATOM 1694 CD1 LEU A 204 38.942 26.703 41.698 1.00 34.86 C -ATOM 1695 CD2 LEU A 204 39.178 29.104 40.956 1.00 38.84 C -ATOM 1696 N SER A 205 39.130 30.446 46.185 1.00 30.98 N -ATOM 1697 CA SER A 205 38.616 30.622 47.536 1.00 33.63 C -ATOM 1698 C SER A 205 37.947 31.972 47.788 1.00 32.49 C -ATOM 1699 O SER A 205 38.350 32.998 47.235 1.00 31.76 O -ATOM 1700 CB SER A 205 39.740 30.378 48.534 1.00 34.12 C -ATOM 1701 OG SER A 205 40.284 29.085 48.329 1.00 39.42 O -ATOM 1702 N PRO A 206 36.911 31.979 48.644 1.00 32.63 N -ATOM 1703 CA PRO A 206 36.132 33.167 49.010 1.00 32.12 C -ATOM 1704 C PRO A 206 36.865 34.378 49.575 1.00 32.85 C -ATOM 1705 O PRO A 206 36.316 35.476 49.557 1.00 32.34 O -ATOM 1706 CB PRO A 206 35.080 32.612 49.974 1.00 32.96 C -ATOM 1707 CG PRO A 206 35.739 31.411 50.557 1.00 35.29 C -ATOM 1708 CD PRO A 206 36.419 30.794 49.366 1.00 31.48 C -ATOM 1709 N GLU A 207 38.086 34.210 50.076 1.00 33.31 N -ATOM 1710 CA GLU A 207 38.798 35.372 50.599 1.00 34.98 C -ATOM 1711 C GLU A 207 39.279 36.273 49.458 1.00 35.29 C -ATOM 1712 O GLU A 207 39.761 37.382 49.692 1.00 36.69 O -ATOM 1713 CB GLU A 207 39.983 34.963 51.486 1.00 40.54 C -ATOM 1714 CG GLU A 207 41.069 34.133 50.817 1.00 50.94 C -ATOM 1715 CD GLU A 207 40.740 32.648 50.764 1.00 55.78 C -ATOM 1716 OE1 GLU A 207 41.637 31.856 50.407 1.00 55.27 O -ATOM 1717 OE2 GLU A 207 39.589 32.273 51.076 1.00 60.01 O -ATOM 1718 N HIS A 208 39.129 35.800 48.222 1.00 28.66 N -ATOM 1719 CA HIS A 208 39.528 36.574 47.049 1.00 24.60 C -ATOM 1720 C HIS A 208 38.315 36.859 46.174 1.00 25.94 C -ATOM 1721 O HIS A 208 37.253 36.256 46.348 1.00 25.51 O -ATOM 1722 CB HIS A 208 40.564 35.807 46.212 1.00 20.14 C -ATOM 1723 CG HIS A 208 41.834 35.497 46.948 1.00 26.98 C -ATOM 1724 ND1 HIS A 208 42.668 36.479 47.443 1.00 25.78 N -ATOM 1725 CD2 HIS A 208 42.410 34.314 47.277 1.00 21.25 C -ATOM 1726 CE1 HIS A 208 43.702 35.914 48.044 1.00 25.66 C -ATOM 1727 NE2 HIS A 208 43.569 34.601 47.957 1.00 30.38 N -ATOM 1728 N GLY A 209 38.477 37.784 45.236 1.00 26.18 N -ATOM 1729 CA GLY A 209 37.404 38.089 44.317 1.00 21.65 C -ATOM 1730 C GLY A 209 37.250 36.861 43.444 1.00 21.58 C -ATOM 1731 O GLY A 209 38.078 35.953 43.518 1.00 21.63 O -ATOM 1732 N PRO A 210 36.221 36.796 42.595 1.00 20.67 N -ATOM 1733 CA PRO A 210 36.046 35.617 41.747 1.00 22.33 C -ATOM 1734 C PRO A 210 37.138 35.463 40.693 1.00 23.13 C -ATOM 1735 O PRO A 210 37.589 36.451 40.090 1.00 22.59 O -ATOM 1736 CB PRO A 210 34.678 35.849 41.124 1.00 21.20 C -ATOM 1737 CG PRO A 210 34.649 37.313 40.969 1.00 24.40 C -ATOM 1738 CD PRO A 210 35.225 37.825 42.264 1.00 26.37 C -ATOM 1739 N VAL A 211 37.552 34.225 40.474 1.00 15.20 N -ATOM 1740 CA VAL A 211 38.564 33.935 39.478 1.00 21.43 C -ATOM 1741 C VAL A 211 38.048 34.301 38.090 1.00 22.86 C -ATOM 1742 O VAL A 211 36.858 34.142 37.795 1.00 24.53 O -ATOM 1743 CB VAL A 211 38.918 32.444 39.459 1.00 19.68 C -ATOM 1744 CG1 VAL A 211 37.685 31.623 39.077 1.00 18.39 C -ATOM 1745 CG2 VAL A 211 40.033 32.196 38.463 1.00 26.04 C -ATOM 1746 N VAL A 212 38.943 34.790 37.240 1.00 23.32 N -ATOM 1747 CA VAL A 212 38.579 35.148 35.876 1.00 22.99 C -ATOM 1748 C VAL A 212 38.946 33.993 34.953 1.00 25.90 C -ATOM 1749 O VAL A 212 40.091 33.530 34.942 1.00 27.71 O -ATOM 1750 CB VAL A 212 39.297 36.422 35.445 1.00 24.75 C -ATOM 1751 CG1 VAL A 212 38.928 36.777 34.000 1.00 26.06 C -ATOM 1752 CG2 VAL A 212 38.903 37.542 36.375 1.00 18.89 C -ATOM 1753 N VAL A 213 37.969 33.519 34.187 1.00 22.66 N -ATOM 1754 CA VAL A 213 38.181 32.390 33.286 1.00 20.89 C -ATOM 1755 C VAL A 213 37.870 32.748 31.834 1.00 24.73 C -ATOM 1756 O VAL A 213 36.899 33.460 31.560 1.00 26.24 O -ATOM 1757 CB VAL A 213 37.281 31.212 33.702 1.00 16.47 C -ATOM 1758 CG1 VAL A 213 37.492 30.032 32.793 1.00 13.83 C -ATOM 1759 CG2 VAL A 213 37.544 30.857 35.141 1.00 13.89 C -ATOM 1760 N HIS A 214 38.683 32.255 30.902 1.00 20.73 N -ATOM 1761 CA HIS A 214 38.431 32.541 29.499 1.00 21.38 C -ATOM 1762 C HIS A 214 39.133 31.596 28.543 1.00 21.86 C -ATOM 1763 O HIS A 214 40.167 31.007 28.865 1.00 24.71 O -ATOM 1764 CB HIS A 214 38.852 33.976 29.153 1.00 18.35 C -ATOM 1765 CG HIS A 214 40.316 34.127 28.875 1.00 22.19 C -ATOM 1766 ND1 HIS A 214 40.900 33.709 27.694 1.00 20.92 N -ATOM 1767 CD2 HIS A 214 41.321 34.622 29.636 1.00 19.41 C -ATOM 1768 CE1 HIS A 214 42.201 33.942 27.742 1.00 17.44 C -ATOM 1769 NE2 HIS A 214 42.482 34.495 28.910 1.00 22.98 N -ATOM 1770 N CYS A 215 38.529 31.457 27.370 1.00 20.56 N -ATOM 1771 CA CYS A 215 39.058 30.671 26.266 1.00 18.08 C -ATOM 1772 C CYS A 215 38.941 31.711 25.156 1.00 16.50 C -ATOM 1773 O CYS A 215 39.467 32.807 25.305 1.00 19.99 O -ATOM 1774 CB CYS A 215 38.195 29.427 25.986 1.00 20.43 C -ATOM 1775 SG CYS A 215 36.422 29.564 26.349 1.00 18.93 S -ATOM 1776 N SER A 216 38.259 31.416 24.059 1.00 15.83 N -ATOM 1777 CA SER A 216 38.123 32.444 23.036 1.00 16.65 C -ATOM 1778 C SER A 216 36.810 33.192 23.242 1.00 21.06 C -ATOM 1779 O SER A 216 36.804 34.424 23.325 1.00 18.94 O -ATOM 1780 CB SER A 216 38.173 31.852 21.629 1.00 19.65 C -ATOM 1781 OG SER A 216 38.348 32.881 20.673 1.00 18.03 O -ATOM 1782 N ALA A 217 35.704 32.453 23.336 1.00 20.25 N -ATOM 1783 CA ALA A 217 34.396 33.074 23.550 1.00 24.53 C -ATOM 1784 C ALA A 217 34.028 33.091 25.034 1.00 24.59 C -ATOM 1785 O ALA A 217 33.152 33.838 25.462 1.00 25.91 O -ATOM 1786 CB ALA A 217 33.317 32.335 22.753 1.00 21.52 C -ATOM 1787 N GLY A 218 34.702 32.258 25.817 1.00 23.84 N -ATOM 1788 CA GLY A 218 34.426 32.202 27.240 1.00 23.90 C -ATOM 1789 C GLY A 218 33.115 31.527 27.594 1.00 25.08 C -ATOM 1790 O GLY A 218 32.414 31.974 28.509 1.00 25.36 O -ATOM 1791 N ILE A 219 32.778 30.455 26.883 1.00 20.29 N -ATOM 1792 CA ILE A 219 31.543 29.730 27.156 1.00 22.09 C -ATOM 1793 C ILE A 219 31.690 28.220 27.001 1.00 24.68 C -ATOM 1794 O ILE A 219 31.005 27.466 27.685 1.00 27.22 O -ATOM 1795 CB ILE A 219 30.369 30.200 26.235 1.00 20.85 C -ATOM 1796 CG1 ILE A 219 30.692 29.884 24.770 1.00 20.80 C -ATOM 1797 CG2 ILE A 219 30.106 31.702 26.432 1.00 12.18 C -ATOM 1798 CD1 ILE A 219 29.673 30.424 23.791 1.00 24.46 C -ATOM 1799 N GLY A 220 32.581 27.786 26.109 1.00 24.42 N -ATOM 1800 CA GLY A 220 32.778 26.364 25.872 1.00 22.90 C -ATOM 1801 C GLY A 220 33.749 25.710 26.832 1.00 26.92 C -ATOM 1802 O GLY A 220 33.329 25.037 27.780 1.00 26.78 O -ATOM 1803 N ARG A 221 35.045 25.895 26.583 1.00 25.32 N -ATOM 1804 CA ARG A 221 36.083 25.344 27.450 1.00 25.42 C -ATOM 1805 C ARG A 221 35.951 25.932 28.854 1.00 24.07 C -ATOM 1806 O ARG A 221 36.092 25.217 29.840 1.00 26.34 O -ATOM 1807 CB ARG A 221 37.479 25.664 26.904 1.00 23.59 C -ATOM 1808 CG ARG A 221 37.701 25.181 25.483 1.00 28.68 C -ATOM 1809 CD ARG A 221 39.107 25.488 25.006 1.00 25.32 C -ATOM 1810 NE ARG A 221 39.166 25.462 23.553 1.00 25.42 N -ATOM 1811 CZ ARG A 221 40.224 25.823 22.833 1.00 28.19 C -ATOM 1812 NH1 ARG A 221 41.340 26.245 23.429 1.00 20.90 N -ATOM 1813 NH2 ARG A 221 40.156 25.774 21.511 1.00 20.87 N -ATOM 1814 N SER A 222 35.701 27.237 28.936 1.00 22.55 N -ATOM 1815 CA SER A 222 35.539 27.905 30.226 1.00 21.78 C -ATOM 1816 C SER A 222 34.333 27.295 30.937 1.00 24.20 C -ATOM 1817 O SER A 222 34.320 27.165 32.163 1.00 24.66 O -ATOM 1818 CB SER A 222 35.308 29.414 30.045 1.00 18.42 C -ATOM 1819 OG SER A 222 36.418 30.055 29.430 1.00 27.38 O -ATOM 1820 N GLY A 223 33.317 26.933 30.156 1.00 22.23 N -ATOM 1821 CA GLY A 223 32.135 26.325 30.732 1.00 24.19 C -ATOM 1822 C GLY A 223 32.509 25.010 31.385 1.00 22.62 C -ATOM 1823 O GLY A 223 32.129 24.733 32.526 1.00 22.99 O -ATOM 1824 N THR A 224 33.266 24.201 30.647 1.00 23.51 N -ATOM 1825 CA THR A 224 33.731 22.897 31.121 1.00 24.70 C -ATOM 1826 C THR A 224 34.499 23.017 32.442 1.00 21.31 C -ATOM 1827 O THR A 224 34.349 22.199 33.347 1.00 21.06 O -ATOM 1828 CB THR A 224 34.647 22.245 30.058 1.00 26.03 C -ATOM 1829 OG1 THR A 224 33.855 21.818 28.942 1.00 32.57 O -ATOM 1830 CG2 THR A 224 35.382 21.066 30.630 1.00 31.16 C -ATOM 1831 N PHE A 225 35.324 24.046 32.545 1.00 20.01 N -ATOM 1832 CA PHE A 225 36.119 24.284 33.745 1.00 23.99 C -ATOM 1833 C PHE A 225 35.253 24.547 34.986 1.00 21.93 C -ATOM 1834 O PHE A 225 35.415 23.908 36.029 1.00 20.18 O -ATOM 1835 CB PHE A 225 37.045 25.480 33.505 1.00 20.82 C -ATOM 1836 CG PHE A 225 38.003 25.736 34.622 1.00 25.15 C -ATOM 1837 CD1 PHE A 225 39.157 24.969 34.755 1.00 25.36 C -ATOM 1838 CD2 PHE A 225 37.750 26.745 35.551 1.00 25.30 C -ATOM 1839 CE1 PHE A 225 40.060 25.199 35.800 1.00 22.25 C -ATOM 1840 CE2 PHE A 225 38.635 26.984 36.594 1.00 29.71 C -ATOM 1841 CZ PHE A 225 39.800 26.204 36.718 1.00 27.22 C -ATOM 1842 N CYS A 226 34.326 25.488 34.874 1.00 22.33 N -ATOM 1843 CA CYS A 226 33.475 25.825 36.004 1.00 24.82 C -ATOM 1844 C CYS A 226 32.447 24.749 36.338 1.00 25.81 C -ATOM 1845 O CYS A 226 32.175 24.490 37.508 1.00 26.77 O -ATOM 1846 CB CYS A 226 32.784 27.161 35.739 1.00 27.35 C -ATOM 1847 SG CYS A 226 33.987 28.507 35.547 1.00 40.39 S -ATOM 1848 N LEU A 227 31.884 24.117 35.315 1.00 23.96 N -ATOM 1849 CA LEU A 227 30.891 23.073 35.535 1.00 25.57 C -ATOM 1850 C LEU A 227 31.500 21.908 36.319 1.00 24.53 C -ATOM 1851 O LEU A 227 30.913 21.411 37.279 1.00 24.86 O -ATOM 1852 CB LEU A 227 30.346 22.579 34.192 1.00 22.49 C -ATOM 1853 CG LEU A 227 29.334 21.432 34.220 1.00 22.97 C -ATOM 1854 CD1 LEU A 227 28.134 21.811 35.064 1.00 17.66 C -ATOM 1855 CD2 LEU A 227 28.908 21.110 32.803 1.00 21.44 C -ATOM 1856 N ALA A 228 32.691 21.487 35.915 1.00 21.66 N -ATOM 1857 CA ALA A 228 33.374 20.385 36.587 1.00 20.20 C -ATOM 1858 C ALA A 228 33.769 20.764 38.016 1.00 21.52 C -ATOM 1859 O ALA A 228 33.561 19.982 38.942 1.00 23.30 O -ATOM 1860 CB ALA A 228 34.605 19.955 35.781 1.00 17.91 C -ATOM 1861 N ASP A 229 34.321 21.961 38.202 1.00 20.42 N -ATOM 1862 CA ASP A 229 34.715 22.417 39.540 1.00 20.02 C -ATOM 1863 C ASP A 229 33.525 22.484 40.518 1.00 23.36 C -ATOM 1864 O ASP A 229 33.614 22.012 41.651 1.00 18.48 O -ATOM 1865 CB ASP A 229 35.371 23.798 39.457 1.00 17.93 C -ATOM 1866 CG ASP A 229 35.761 24.345 40.825 1.00 25.78 C -ATOM 1867 OD1 ASP A 229 36.388 23.597 41.606 1.00 26.24 O -ATOM 1868 OD2 ASP A 229 35.451 25.524 41.122 1.00 24.53 O -ATOM 1869 N THR A 230 32.418 23.087 40.088 1.00 21.94 N -ATOM 1870 CA THR A 230 31.241 23.187 40.947 1.00 22.67 C -ATOM 1871 C THR A 230 30.662 21.808 41.289 1.00 23.05 C -ATOM 1872 O THR A 230 30.372 21.531 42.457 1.00 25.49 O -ATOM 1873 CB THR A 230 30.124 24.066 40.297 1.00 22.50 C -ATOM 1874 OG1 THR A 230 30.562 25.431 40.246 1.00 22.18 O -ATOM 1875 CG2 THR A 230 28.834 24.010 41.134 1.00 21.33 C -ATOM 1876 N CYS A 231 30.496 20.952 40.280 1.00 23.19 N -ATOM 1877 CA CYS A 231 29.948 19.606 40.494 1.00 23.93 C -ATOM 1878 C CYS A 231 30.776 18.817 41.501 1.00 24.51 C -ATOM 1879 O CYS A 231 30.233 18.139 42.381 1.00 21.94 O -ATOM 1880 CB CYS A 231 29.882 18.825 39.174 1.00 26.54 C -ATOM 1881 SG CYS A 231 28.514 19.266 38.062 1.00 24.19 S -ATOM 1882 N LEU A 232 32.096 18.887 41.360 1.00 25.68 N -ATOM 1883 CA LEU A 232 32.975 18.180 42.280 1.00 25.43 C -ATOM 1884 C LEU A 232 32.760 18.734 43.672 1.00 25.91 C -ATOM 1885 O LEU A 232 32.579 17.988 44.634 1.00 30.09 O -ATOM 1886 CB LEU A 232 34.439 18.360 41.870 1.00 23.45 C -ATOM 1887 CG LEU A 232 34.893 17.490 40.691 1.00 25.48 C -ATOM 1888 CD1 LEU A 232 36.346 17.785 40.329 1.00 21.59 C -ATOM 1889 CD2 LEU A 232 34.723 16.028 41.065 1.00 19.56 C -ATOM 1890 N LEU A 233 32.757 20.056 43.769 1.00 26.22 N -ATOM 1891 CA LEU A 233 32.580 20.725 45.043 1.00 25.92 C -ATOM 1892 C LEU A 233 31.257 20.338 45.704 1.00 29.36 C -ATOM 1893 O LEU A 233 31.204 20.155 46.924 1.00 31.36 O -ATOM 1894 CB LEU A 233 32.653 22.239 44.840 1.00 28.53 C -ATOM 1895 CG LEU A 233 33.250 23.078 45.970 1.00 28.16 C -ATOM 1896 CD1 LEU A 233 34.648 22.607 46.289 1.00 30.35 C -ATOM 1897 CD2 LEU A 233 33.278 24.528 45.547 1.00 29.83 C -ATOM 1898 N LEU A 234 30.193 20.213 44.909 1.00 28.48 N -ATOM 1899 CA LEU A 234 28.891 19.845 45.452 1.00 25.39 C -ATOM 1900 C LEU A 234 28.917 18.412 45.968 1.00 29.04 C -ATOM 1901 O LEU A 234 28.422 18.137 47.057 1.00 27.93 O -ATOM 1902 CB LEU A 234 27.791 19.979 44.401 1.00 25.14 C -ATOM 1903 CG LEU A 234 27.482 21.382 43.877 1.00 29.18 C -ATOM 1904 CD1 LEU A 234 26.457 21.285 42.752 1.00 22.09 C -ATOM 1905 CD2 LEU A 234 26.973 22.261 45.005 1.00 25.06 C -ATOM 1906 N MET A 235 29.498 17.500 45.193 1.00 31.63 N -ATOM 1907 CA MET A 235 29.576 16.105 45.614 1.00 32.35 C -ATOM 1908 C MET A 235 30.355 16.010 46.925 1.00 35.09 C -ATOM 1909 O MET A 235 30.216 15.049 47.680 1.00 38.11 O -ATOM 1910 CB MET A 235 30.254 15.262 44.533 1.00 29.38 C -ATOM 1911 CG MET A 235 29.466 15.147 43.245 1.00 33.43 C -ATOM 1912 SD MET A 235 30.383 14.304 41.931 1.00 39.36 S -ATOM 1913 CE MET A 235 30.045 12.575 42.335 1.00 37.90 C -ATOM 1914 N ASP A 236 31.164 17.026 47.194 1.00 36.58 N -ATOM 1915 CA ASP A 236 31.970 17.088 48.406 1.00 36.05 C -ATOM 1916 C ASP A 236 31.156 17.625 49.575 1.00 36.48 C -ATOM 1917 O ASP A 236 31.382 17.255 50.725 1.00 37.23 O -ATOM 1918 CB ASP A 236 33.165 18.011 48.174 1.00 43.09 C -ATOM 1919 CG ASP A 236 34.495 17.283 48.225 1.00 44.61 C -ATOM 1920 OD1 ASP A 236 34.531 16.066 47.946 1.00 45.89 O -ATOM 1921 OD2 ASP A 236 35.510 17.943 48.528 1.00 46.42 O -ATOM 1922 N LYS A 237 30.203 18.497 49.271 1.00 33.03 N -ATOM 1923 CA LYS A 237 29.380 19.122 50.296 1.00 31.31 C -ATOM 1924 C LYS A 237 28.152 18.323 50.723 1.00 30.22 C -ATOM 1925 O LYS A 237 27.938 18.088 51.909 1.00 30.77 O -ATOM 1926 CB LYS A 237 28.944 20.508 49.809 1.00 31.40 C -ATOM 1927 CG LYS A 237 28.934 21.576 50.881 1.00 38.92 C -ATOM 1928 CD LYS A 237 28.691 22.955 50.285 1.00 43.74 C -ATOM 1929 CE LYS A 237 28.906 24.038 51.332 1.00 48.16 C -ATOM 1930 NZ LYS A 237 28.716 25.403 50.772 1.00 55.82 N -ATOM 1931 N ARG A 238 27.351 17.907 49.751 1.00 31.09 N -ATOM 1932 CA ARG A 238 26.118 17.167 50.008 1.00 31.68 C -ATOM 1933 C ARG A 238 26.241 15.860 50.779 1.00 34.08 C -ATOM 1934 O ARG A 238 27.247 15.157 50.682 1.00 34.09 O -ATOM 1935 CB ARG A 238 25.408 16.898 48.686 1.00 28.34 C -ATOM 1936 CG ARG A 238 25.039 18.161 47.947 1.00 27.22 C -ATOM 1937 CD ARG A 238 24.205 17.852 46.737 1.00 28.99 C -ATOM 1938 NE ARG A 238 23.661 19.063 46.142 1.00 32.11 N -ATOM 1939 CZ ARG A 238 22.921 19.076 45.041 1.00 34.90 C -ATOM 1940 NH1 ARG A 238 22.642 17.935 44.422 1.00 35.34 N -ATOM 1941 NH2 ARG A 238 22.467 20.224 44.559 1.00 35.65 N -ATOM 1942 N LYS A 239 25.199 15.541 51.542 1.00 34.80 N -ATOM 1943 CA LYS A 239 25.173 14.309 52.318 1.00 39.98 C -ATOM 1944 C LYS A 239 25.088 13.123 51.375 1.00 41.51 C -ATOM 1945 O LYS A 239 25.480 12.010 51.720 1.00 41.70 O -ATOM 1946 CB LYS A 239 23.978 14.292 53.272 1.00 38.75 C -ATOM 1947 CG LYS A 239 24.170 15.141 54.515 1.00 46.18 C -ATOM 1948 CD LYS A 239 23.098 14.850 55.553 1.00 48.80 C -ATOM 1949 CE LYS A 239 23.390 15.552 56.871 1.00 52.04 C -ATOM 1950 NZ LYS A 239 22.371 15.213 57.903 1.00 55.19 N -ATOM 1951 N ASP A 240 24.571 13.372 50.178 1.00 43.70 N -ATOM 1952 CA ASP A 240 24.441 12.333 49.168 1.00 45.90 C -ATOM 1953 C ASP A 240 25.041 12.828 47.858 1.00 43.31 C -ATOM 1954 O ASP A 240 24.338 13.356 46.997 1.00 39.98 O -ATOM 1955 CB ASP A 240 22.969 11.966 48.980 1.00 48.75 C -ATOM 1956 CG ASP A 240 22.760 10.949 47.879 1.00 52.31 C -ATOM 1957 OD1 ASP A 240 23.632 10.070 47.702 1.00 53.56 O -ATOM 1958 OD2 ASP A 240 21.717 11.023 47.199 1.00 54.40 O -ATOM 1959 N PRO A 241 26.359 12.649 47.691 1.00 44.24 N -ATOM 1960 CA PRO A 241 27.092 13.072 46.496 1.00 42.40 C -ATOM 1961 C PRO A 241 26.516 12.587 45.173 1.00 42.19 C -ATOM 1962 O PRO A 241 26.723 13.216 44.137 1.00 39.78 O -ATOM 1963 CB PRO A 241 28.499 12.537 46.751 1.00 43.33 C -ATOM 1964 CG PRO A 241 28.249 11.323 47.576 1.00 44.83 C -ATOM 1965 CD PRO A 241 27.216 11.817 48.552 1.00 42.59 C -ATOM 1966 N SER A 242 25.788 11.478 45.201 1.00 38.88 N -ATOM 1967 CA SER A 242 25.212 10.941 43.975 1.00 38.01 C -ATOM 1968 C SER A 242 24.017 11.761 43.499 1.00 36.82 C -ATOM 1969 O SER A 242 23.499 11.530 42.410 1.00 34.94 O -ATOM 1970 CB SER A 242 24.791 9.485 44.182 1.00 39.83 C -ATOM 1971 OG SER A 242 23.752 9.386 45.137 1.00 41.24 O -ATOM 1972 N SER A 243 23.592 12.724 44.312 1.00 34.48 N -ATOM 1973 CA SER A 243 22.451 13.570 43.969 1.00 34.93 C -ATOM 1974 C SER A 243 22.826 14.753 43.078 1.00 35.09 C -ATOM 1975 O SER A 243 21.955 15.469 42.591 1.00 33.88 O -ATOM 1976 CB SER A 243 21.777 14.097 45.239 1.00 37.88 C -ATOM 1977 OG SER A 243 22.617 15.011 45.929 1.00 44.44 O -ATOM 1978 N VAL A 244 24.120 14.961 42.870 1.00 32.09 N -ATOM 1979 CA VAL A 244 24.585 16.060 42.032 1.00 30.87 C -ATOM 1980 C VAL A 244 24.268 15.777 40.568 1.00 27.41 C -ATOM 1981 O VAL A 244 24.847 14.879 39.976 1.00 28.50 O -ATOM 1982 CB VAL A 244 26.110 16.268 42.199 1.00 29.46 C -ATOM 1983 CG1 VAL A 244 26.611 17.315 41.209 1.00 33.14 C -ATOM 1984 CG2 VAL A 244 26.421 16.700 43.628 1.00 23.92 C -ATOM 1985 N ASP A 245 23.336 16.531 39.993 1.00 31.67 N -ATOM 1986 CA ASP A 245 22.957 16.345 38.592 1.00 30.06 C -ATOM 1987 C ASP A 245 23.646 17.386 37.723 1.00 29.63 C -ATOM 1988 O ASP A 245 23.277 18.562 37.724 1.00 23.66 O -ATOM 1989 CB ASP A 245 21.442 16.456 38.413 1.00 39.02 C -ATOM 1990 CG ASP A 245 21.036 16.491 36.951 1.00 45.44 C -ATOM 1991 OD1 ASP A 245 21.506 15.629 36.177 1.00 46.34 O -ATOM 1992 OD2 ASP A 245 20.250 17.381 36.573 1.00 54.09 O -ATOM 1993 N ILE A 246 24.635 16.928 36.964 1.00 28.09 N -ATOM 1994 CA ILE A 246 25.427 17.801 36.113 1.00 28.41 C -ATOM 1995 C ILE A 246 24.593 18.600 35.118 1.00 28.27 C -ATOM 1996 O ILE A 246 24.902 19.761 34.822 1.00 24.79 O -ATOM 1997 CB ILE A 246 26.527 16.987 35.385 1.00 24.33 C -ATOM 1998 CG1 ILE A 246 27.393 17.914 34.539 1.00 27.52 C -ATOM 1999 CG2 ILE A 246 25.902 15.902 34.549 1.00 24.45 C -ATOM 2000 CD1 ILE A 246 28.587 17.230 33.928 1.00 33.29 C -ATOM 2001 N LYS A 247 23.531 17.989 34.612 1.00 30.55 N -ATOM 2002 CA LYS A 247 22.663 18.665 33.661 1.00 29.51 C -ATOM 2003 C LYS A 247 21.946 19.832 34.331 1.00 28.12 C -ATOM 2004 O LYS A 247 21.738 20.878 33.715 1.00 27.49 O -ATOM 2005 CB LYS A 247 21.642 17.680 33.096 1.00 34.50 C -ATOM 2006 CG LYS A 247 22.257 16.589 32.239 1.00 37.11 C -ATOM 2007 CD LYS A 247 21.260 15.478 31.960 1.00 42.09 C -ATOM 2008 CE LYS A 247 20.871 14.770 33.246 1.00 42.27 C -ATOM 2009 NZ LYS A 247 19.996 13.605 32.977 1.00 48.11 N -ATOM 2010 N LYS A 248 21.574 19.662 35.596 1.00 29.40 N -ATOM 2011 CA LYS A 248 20.876 20.733 36.298 1.00 30.02 C -ATOM 2012 C LYS A 248 21.853 21.818 36.726 1.00 24.43 C -ATOM 2013 O LYS A 248 21.514 23.000 36.730 1.00 24.74 O -ATOM 2014 CB LYS A 248 20.105 20.195 37.517 1.00 32.97 C -ATOM 2015 CG LYS A 248 20.915 20.056 38.800 1.00 44.40 C -ATOM 2016 CD LYS A 248 19.992 19.912 40.017 1.00 48.15 C -ATOM 2017 CE LYS A 248 20.760 19.972 41.339 1.00 50.61 C -ATOM 2018 NZ LYS A 248 21.707 18.830 41.499 1.00 47.09 N -ATOM 2019 N VAL A 249 23.070 21.423 37.075 1.00 24.68 N -ATOM 2020 CA VAL A 249 24.075 22.398 37.479 1.00 22.67 C -ATOM 2021 C VAL A 249 24.409 23.271 36.285 1.00 22.68 C -ATOM 2022 O VAL A 249 24.508 24.498 36.401 1.00 23.60 O -ATOM 2023 CB VAL A 249 25.352 21.709 38.004 1.00 20.50 C -ATOM 2024 CG1 VAL A 249 26.366 22.760 38.475 1.00 17.48 C -ATOM 2025 CG2 VAL A 249 24.988 20.802 39.172 1.00 19.33 C -ATOM 2026 N LEU A 250 24.554 22.637 35.126 1.00 23.25 N -ATOM 2027 CA LEU A 250 24.858 23.359 33.899 1.00 24.68 C -ATOM 2028 C LEU A 250 23.756 24.380 33.602 1.00 24.86 C -ATOM 2029 O LEU A 250 24.032 25.517 33.220 1.00 26.23 O -ATOM 2030 CB LEU A 250 24.992 22.380 32.722 1.00 22.76 C -ATOM 2031 CG LEU A 250 25.130 23.029 31.340 1.00 23.33 C -ATOM 2032 CD1 LEU A 250 26.308 23.998 31.356 1.00 22.62 C -ATOM 2033 CD2 LEU A 250 25.330 21.966 30.274 1.00 23.71 C -ATOM 2034 N LEU A 251 22.504 23.977 33.785 1.00 24.50 N -ATOM 2035 CA LEU A 251 21.391 24.881 33.523 1.00 26.04 C -ATOM 2036 C LEU A 251 21.373 26.047 34.502 1.00 25.64 C -ATOM 2037 O LEU A 251 20.983 27.162 34.143 1.00 26.79 O -ATOM 2038 CB LEU A 251 20.063 24.120 33.574 1.00 23.87 C -ATOM 2039 CG LEU A 251 19.729 23.306 32.321 1.00 28.70 C -ATOM 2040 CD1 LEU A 251 18.613 22.314 32.626 1.00 29.28 C -ATOM 2041 CD2 LEU A 251 19.314 24.241 31.205 1.00 24.99 C -ATOM 2042 N GLU A 252 21.784 25.801 35.742 1.00 23.69 N -ATOM 2043 CA GLU A 252 21.808 26.876 36.722 1.00 22.99 C -ATOM 2044 C GLU A 252 22.851 27.892 36.283 1.00 22.22 C -ATOM 2045 O GLU A 252 22.648 29.099 36.405 1.00 23.01 O -ATOM 2046 CB GLU A 252 22.164 26.335 38.113 1.00 23.95 C -ATOM 2047 CG GLU A 252 22.290 27.406 39.202 1.00 24.70 C -ATOM 2048 CD GLU A 252 20.992 28.167 39.436 1.00 26.18 C -ATOM 2049 OE1 GLU A 252 19.914 27.540 39.358 1.00 25.18 O -ATOM 2050 OE2 GLU A 252 21.051 29.388 39.709 1.00 22.64 O -ATOM 2051 N MET A 253 23.976 27.392 35.782 1.00 21.35 N -ATOM 2052 CA MET A 253 25.051 28.259 35.333 1.00 21.56 C -ATOM 2053 C MET A 253 24.646 29.076 34.109 1.00 22.01 C -ATOM 2054 O MET A 253 24.995 30.256 34.012 1.00 17.96 O -ATOM 2055 CB MET A 253 26.304 27.447 35.014 1.00 20.07 C -ATOM 2056 CG MET A 253 26.880 26.718 36.206 1.00 24.58 C -ATOM 2057 SD MET A 253 28.572 26.082 35.952 1.00 28.27 S -ATOM 2058 CE MET A 253 29.199 26.246 37.630 1.00 16.25 C -ATOM 2059 N ARG A 254 23.908 28.456 33.186 1.00 18.80 N -ATOM 2060 CA ARG A 254 23.469 29.155 31.981 1.00 21.81 C -ATOM 2061 C ARG A 254 22.502 30.304 32.272 1.00 22.18 C -ATOM 2062 O ARG A 254 22.126 31.045 31.372 1.00 26.08 O -ATOM 2063 CB ARG A 254 22.835 28.185 30.980 1.00 21.37 C -ATOM 2064 CG ARG A 254 23.843 27.351 30.203 1.00 27.32 C -ATOM 2065 CD ARG A 254 23.322 27.048 28.805 1.00 25.66 C -ATOM 2066 NE ARG A 254 24.242 26.235 28.017 1.00 28.12 N -ATOM 2067 CZ ARG A 254 24.164 26.087 26.698 1.00 23.89 C -ATOM 2068 NH1 ARG A 254 23.208 26.699 26.015 1.00 25.40 N -ATOM 2069 NH2 ARG A 254 25.041 25.332 26.058 1.00 23.25 N -ATOM 2070 N LYS A 255 22.099 30.443 33.535 1.00 24.01 N -ATOM 2071 CA LYS A 255 21.219 31.534 33.930 1.00 20.75 C -ATOM 2072 C LYS A 255 22.059 32.809 33.980 1.00 24.40 C -ATOM 2073 O LYS A 255 21.525 33.927 33.920 1.00 23.19 O -ATOM 2074 CB LYS A 255 20.649 31.297 35.330 1.00 19.84 C -ATOM 2075 CG LYS A 255 19.639 30.150 35.477 1.00 21.77 C -ATOM 2076 CD LYS A 255 19.143 30.074 36.931 1.00 20.14 C -ATOM 2077 CE LYS A 255 18.057 29.019 37.136 1.00 27.46 C -ATOM 2078 NZ LYS A 255 17.540 29.020 38.558 1.00 25.53 N -ATOM 2079 N PHE A 256 23.379 32.630 34.074 1.00 22.62 N -ATOM 2080 CA PHE A 256 24.311 33.748 34.192 1.00 19.51 C -ATOM 2081 C PHE A 256 25.104 34.091 32.945 1.00 20.78 C -ATOM 2082 O PHE A 256 25.602 35.215 32.822 1.00 18.39 O -ATOM 2083 CB PHE A 256 25.248 33.478 35.359 1.00 18.58 C -ATOM 2084 CG PHE A 256 24.528 33.257 36.649 1.00 18.65 C -ATOM 2085 CD1 PHE A 256 24.124 34.333 37.427 1.00 20.72 C -ATOM 2086 CD2 PHE A 256 24.204 31.971 37.063 1.00 19.93 C -ATOM 2087 CE1 PHE A 256 23.396 34.133 38.611 1.00 24.70 C -ATOM 2088 CE2 PHE A 256 23.480 31.758 38.243 1.00 22.29 C -ATOM 2089 CZ PHE A 256 23.074 32.843 39.019 1.00 19.27 C -ATOM 2090 N ARG A 257 25.233 33.130 32.033 1.00 19.33 N -ATOM 2091 CA ARG A 257 25.934 33.350 30.769 1.00 17.88 C -ATOM 2092 C ARG A 257 25.459 32.310 29.753 1.00 19.30 C -ATOM 2093 O ARG A 257 25.336 31.124 30.061 1.00 17.78 O -ATOM 2094 CB ARG A 257 27.463 33.280 30.949 1.00 19.30 C -ATOM 2095 CG ARG A 257 28.259 33.856 29.757 1.00 22.05 C -ATOM 2096 CD ARG A 257 29.779 33.845 30.010 1.00 20.38 C -ATOM 2097 NE ARG A 257 30.590 34.227 28.839 1.00 20.85 N -ATOM 2098 CZ ARG A 257 30.736 35.467 28.367 1.00 19.49 C -ATOM 2099 NH1 ARG A 257 30.122 36.494 28.949 1.00 13.78 N -ATOM 2100 NH2 ARG A 257 31.526 35.687 27.321 1.00 18.17 N -ATOM 2101 N MET A 258 25.178 32.776 28.542 1.00 20.27 N -ATOM 2102 CA MET A 258 24.690 31.924 27.472 1.00 23.49 C -ATOM 2103 C MET A 258 25.699 30.938 26.893 1.00 24.46 C -ATOM 2104 O MET A 258 26.910 31.151 26.945 1.00 22.69 O -ATOM 2105 CB MET A 258 24.169 32.789 26.324 1.00 23.58 C -ATOM 2106 CG MET A 258 25.227 33.741 25.780 1.00 21.03 C -ATOM 2107 SD MET A 258 24.882 34.363 24.133 1.00 26.71 S -ATOM 2108 CE MET A 258 23.820 35.769 24.486 1.00 23.08 C -ATOM 2109 N GLY A 259 25.165 29.861 26.334 1.00 24.90 N -ATOM 2110 CA GLY A 259 25.972 28.855 25.669 1.00 26.42 C -ATOM 2111 C GLY A 259 27.088 28.115 26.378 1.00 27.89 C -ATOM 2112 O GLY A 259 27.988 27.606 25.710 1.00 25.90 O -ATOM 2113 N LEU A 260 27.051 28.034 27.703 1.00 27.34 N -ATOM 2114 CA LEU A 260 28.093 27.304 28.416 1.00 26.03 C -ATOM 2115 C LEU A 260 28.006 25.848 27.955 1.00 27.22 C -ATOM 2116 O LEU A 260 26.934 25.228 28.025 1.00 26.30 O -ATOM 2117 CB LEU A 260 27.879 27.404 29.928 1.00 26.70 C -ATOM 2118 CG LEU A 260 27.771 28.827 30.479 1.00 22.08 C -ATOM 2119 CD1 LEU A 260 27.684 28.777 32.006 1.00 22.74 C -ATOM 2120 CD2 LEU A 260 28.968 29.640 30.028 1.00 21.45 C -ATOM 2121 N ILE A 261 29.142 25.317 27.506 1.00 24.20 N -ATOM 2122 CA ILE A 261 29.257 23.960 26.968 1.00 23.18 C -ATOM 2123 C ILE A 261 28.721 24.076 25.534 1.00 26.92 C -ATOM 2124 O ILE A 261 27.515 24.065 25.301 1.00 23.96 O -ATOM 2125 CB ILE A 261 28.437 22.927 27.786 1.00 21.02 C -ATOM 2126 CG1 ILE A 261 28.854 22.978 29.261 1.00 23.43 C -ATOM 2127 CG2 ILE A 261 28.676 21.522 27.240 1.00 19.45 C -ATOM 2128 CD1 ILE A 261 30.351 22.750 29.516 1.00 19.40 C -ATOM 2129 N GLN A 262 29.645 24.213 24.585 1.00 29.85 N -ATOM 2130 CA GLN A 262 29.329 24.407 23.172 1.00 28.14 C -ATOM 2131 C GLN A 262 29.044 23.186 22.309 1.00 29.23 C -ATOM 2132 O GLN A 262 28.569 23.334 21.188 1.00 28.24 O -ATOM 2133 CB GLN A 262 30.446 25.221 22.512 1.00 29.95 C -ATOM 2134 CG GLN A 262 30.438 26.698 22.864 1.00 33.47 C -ATOM 2135 CD GLN A 262 29.334 27.466 22.150 1.00 36.59 C -ATOM 2136 OE1 GLN A 262 29.361 27.618 20.928 1.00 33.46 O -ATOM 2137 NE2 GLN A 262 28.355 27.950 22.912 1.00 33.81 N -ATOM 2138 N THR A 263 29.326 21.988 22.804 1.00 26.76 N -ATOM 2139 CA THR A 263 29.082 20.794 22.002 1.00 29.41 C -ATOM 2140 C THR A 263 28.750 19.581 22.847 1.00 28.43 C -ATOM 2141 O THR A 263 29.000 19.567 24.048 1.00 27.92 O -ATOM 2142 CB THR A 263 30.316 20.416 21.143 1.00 30.75 C -ATOM 2143 OG1 THR A 263 31.413 20.081 22.004 1.00 26.41 O -ATOM 2144 CG2 THR A 263 30.716 21.567 20.228 1.00 32.42 C -ATOM 2145 N ALA A 264 28.191 18.559 22.211 1.00 25.39 N -ATOM 2146 CA ALA A 264 27.864 17.339 22.926 1.00 30.53 C -ATOM 2147 C ALA A 264 29.179 16.699 23.388 1.00 28.49 C -ATOM 2148 O ALA A 264 29.221 16.019 24.415 1.00 30.92 O -ATOM 2149 CB ALA A 264 27.081 16.383 22.019 1.00 29.55 C -ATOM 2150 N ASP A 265 30.252 16.926 22.631 1.00 31.54 N -ATOM 2151 CA ASP A 265 31.563 16.389 22.993 1.00 33.09 C -ATOM 2152 C ASP A 265 32.007 17.004 24.315 1.00 31.52 C -ATOM 2153 O ASP A 265 32.482 16.302 25.205 1.00 33.30 O -ATOM 2154 CB ASP A 265 32.607 16.712 21.922 1.00 40.08 C -ATOM 2155 CG ASP A 265 32.598 15.725 20.771 1.00 45.01 C -ATOM 2156 OD1 ASP A 265 33.412 15.901 19.838 1.00 44.95 O -ATOM 2157 OD2 ASP A 265 31.786 14.777 20.799 1.00 49.99 O -ATOM 2158 N GLN A 266 31.858 18.321 24.436 1.00 31.53 N -ATOM 2159 CA GLN A 266 32.239 19.009 25.663 1.00 29.44 C -ATOM 2160 C GLN A 266 31.371 18.543 26.820 1.00 28.97 C -ATOM 2161 O GLN A 266 31.843 18.444 27.954 1.00 26.73 O -ATOM 2162 CB GLN A 266 32.116 20.529 25.508 1.00 29.01 C -ATOM 2163 CG GLN A 266 33.165 21.148 24.598 1.00 29.80 C -ATOM 2164 CD GLN A 266 33.158 22.667 24.651 1.00 35.84 C -ATOM 2165 OE1 GLN A 266 32.174 23.277 25.074 1.00 29.54 O -ATOM 2166 NE2 GLN A 266 34.253 23.286 24.207 1.00 27.99 N -ATOM 2167 N LEU A 267 30.105 18.245 26.537 1.00 28.25 N -ATOM 2168 CA LEU A 267 29.203 17.783 27.586 1.00 28.17 C -ATOM 2169 C LEU A 267 29.671 16.431 28.109 1.00 27.55 C -ATOM 2170 O LEU A 267 29.761 16.215 29.319 1.00 31.80 O -ATOM 2171 CB LEU A 267 27.774 17.662 27.063 1.00 21.09 C -ATOM 2172 CG LEU A 267 26.777 17.182 28.115 1.00 21.14 C -ATOM 2173 CD1 LEU A 267 26.749 18.160 29.272 1.00 19.70 C -ATOM 2174 CD2 LEU A 267 25.394 17.058 27.493 1.00 26.13 C -ATOM 2175 N ARG A 268 29.970 15.523 27.189 1.00 27.94 N -ATOM 2176 CA ARG A 268 30.441 14.190 27.560 1.00 31.91 C -ATOM 2177 C ARG A 268 31.760 14.325 28.304 1.00 29.43 C -ATOM 2178 O ARG A 268 31.997 13.648 29.305 1.00 31.78 O -ATOM 2179 CB ARG A 268 30.638 13.332 26.306 1.00 32.38 C -ATOM 2180 CG ARG A 268 31.255 11.961 26.554 1.00 32.51 C -ATOM 2181 CD ARG A 268 31.341 11.168 25.252 1.00 31.30 C -ATOM 2182 NE ARG A 268 31.825 9.808 25.472 1.00 41.02 N -ATOM 2183 CZ ARG A 268 33.090 9.493 25.729 1.00 42.22 C -ATOM 2184 NH1 ARG A 268 34.016 10.442 25.793 1.00 37.83 N -ATOM 2185 NH2 ARG A 268 33.426 8.227 25.937 1.00 45.71 N -ATOM 2186 N PHE A 269 32.614 15.215 27.811 1.00 30.06 N -ATOM 2187 CA PHE A 269 33.909 15.438 28.433 1.00 29.64 C -ATOM 2188 C PHE A 269 33.745 15.913 29.874 1.00 26.09 C -ATOM 2189 O PHE A 269 34.491 15.496 30.760 1.00 26.55 O -ATOM 2190 CB PHE A 269 34.711 16.471 27.651 1.00 28.77 C -ATOM 2191 CG PHE A 269 36.049 16.761 28.254 1.00 28.81 C -ATOM 2192 CD1 PHE A 269 37.078 15.832 28.169 1.00 29.16 C -ATOM 2193 CD2 PHE A 269 36.267 17.934 28.954 1.00 24.46 C -ATOM 2194 CE1 PHE A 269 38.307 16.070 28.777 1.00 28.79 C -ATOM 2195 CE2 PHE A 269 37.491 18.179 29.564 1.00 30.62 C -ATOM 2196 CZ PHE A 269 38.512 17.242 29.474 1.00 28.85 C -ATOM 2197 N SER A 270 32.769 16.791 30.100 1.00 23.51 N -ATOM 2198 CA SER A 270 32.502 17.316 31.440 1.00 22.46 C -ATOM 2199 C SER A 270 32.116 16.174 32.386 1.00 22.59 C -ATOM 2200 O SER A 270 32.601 16.104 33.517 1.00 23.05 O -ATOM 2201 CB SER A 270 31.381 18.354 31.380 1.00 21.62 C -ATOM 2202 OG SER A 270 31.747 19.439 30.555 1.00 19.40 O -ATOM 2203 N TYR A 271 31.228 15.296 31.922 1.00 26.15 N -ATOM 2204 CA TYR A 271 30.813 14.129 32.702 1.00 30.52 C -ATOM 2205 C TYR A 271 32.076 13.365 33.053 1.00 31.63 C -ATOM 2206 O TYR A 271 32.354 13.064 34.215 1.00 35.01 O -ATOM 2207 CB TYR A 271 29.946 13.190 31.870 1.00 30.70 C -ATOM 2208 CG TYR A 271 28.465 13.431 31.958 1.00 36.46 C -ATOM 2209 CD1 TYR A 271 27.873 14.513 31.317 1.00 35.83 C -ATOM 2210 CD2 TYR A 271 27.648 12.558 32.670 1.00 36.66 C -ATOM 2211 CE1 TYR A 271 26.502 14.718 31.381 1.00 42.16 C -ATOM 2212 CE2 TYR A 271 26.278 12.752 32.742 1.00 41.82 C -ATOM 2213 CZ TYR A 271 25.710 13.833 32.096 1.00 43.49 C -ATOM 2214 OH TYR A 271 24.352 14.030 32.178 1.00 48.78 O -ATOM 2215 N LEU A 272 32.826 13.050 32.005 1.00 32.94 N -ATOM 2216 CA LEU A 272 34.071 12.311 32.111 1.00 32.34 C -ATOM 2217 C LEU A 272 35.002 12.907 33.160 1.00 32.76 C -ATOM 2218 O LEU A 272 35.575 12.171 33.962 1.00 35.00 O -ATOM 2219 CB LEU A 272 34.766 12.288 30.747 1.00 31.82 C -ATOM 2220 CG LEU A 272 35.617 11.069 30.402 1.00 34.38 C -ATOM 2221 CD1 LEU A 272 34.751 9.819 30.459 1.00 28.40 C -ATOM 2222 CD2 LEU A 272 36.211 11.237 29.013 1.00 35.33 C -ATOM 2223 N ALA A 273 35.152 14.231 33.163 1.00 31.54 N -ATOM 2224 CA ALA A 273 36.031 14.894 34.130 1.00 30.13 C -ATOM 2225 C ALA A 273 35.488 14.813 35.550 1.00 29.40 C -ATOM 2226 O ALA A 273 36.243 14.587 36.494 1.00 34.23 O -ATOM 2227 CB ALA A 273 36.251 16.364 33.737 1.00 32.72 C -ATOM 2228 N VAL A 274 34.185 15.013 35.704 1.00 26.91 N -ATOM 2229 CA VAL A 274 33.562 14.950 37.020 1.00 27.75 C -ATOM 2230 C VAL A 274 33.697 13.534 37.589 1.00 29.78 C -ATOM 2231 O VAL A 274 34.135 13.346 38.726 1.00 24.91 O -ATOM 2232 CB VAL A 274 32.056 15.330 36.954 1.00 27.81 C -ATOM 2233 CG1 VAL A 274 31.442 15.265 38.339 1.00 29.00 C -ATOM 2234 CG2 VAL A 274 31.894 16.724 36.399 1.00 27.14 C -ATOM 2235 N ILE A 275 33.336 12.541 36.779 1.00 29.55 N -ATOM 2236 CA ILE A 275 33.410 11.148 37.199 1.00 31.12 C -ATOM 2237 C ILE A 275 34.830 10.747 37.598 1.00 34.21 C -ATOM 2238 O ILE A 275 35.037 10.109 38.633 1.00 33.33 O -ATOM 2239 CB ILE A 275 32.901 10.221 36.078 1.00 31.84 C -ATOM 2240 CG1 ILE A 275 31.382 10.376 35.940 1.00 29.50 C -ATOM 2241 CG2 ILE A 275 33.297 8.782 36.362 1.00 30.70 C -ATOM 2242 CD1 ILE A 275 30.804 9.745 34.691 1.00 31.27 C -ATOM 2243 N GLU A 276 35.807 11.132 36.787 1.00 34.58 N -ATOM 2244 CA GLU A 276 37.192 10.799 37.073 1.00 37.39 C -ATOM 2245 C GLU A 276 37.671 11.555 38.307 1.00 40.31 C -ATOM 2246 O GLU A 276 38.283 10.977 39.206 1.00 39.76 O -ATOM 2247 CB GLU A 276 38.076 11.151 35.880 1.00 40.54 C -ATOM 2248 CG GLU A 276 39.394 10.416 35.870 1.00 49.79 C -ATOM 2249 CD GLU A 276 39.204 8.917 35.776 1.00 58.04 C -ATOM 2250 OE1 GLU A 276 38.612 8.459 34.776 1.00 60.39 O -ATOM 2251 OE2 GLU A 276 39.640 8.196 36.699 1.00 60.87 O -ATOM 2252 N GLY A 277 37.387 12.852 38.346 1.00 40.24 N -ATOM 2253 CA GLY A 277 37.801 13.665 39.475 1.00 40.10 C -ATOM 2254 C GLY A 277 37.159 13.232 40.779 1.00 44.69 C -ATOM 2255 O GLY A 277 37.729 13.432 41.851 1.00 44.11 O -ATOM 2256 N ALA A 278 35.970 12.644 40.696 1.00 44.96 N -ATOM 2257 CA ALA A 278 35.273 12.181 41.887 1.00 48.57 C -ATOM 2258 C ALA A 278 35.956 10.930 42.421 1.00 53.79 C -ATOM 2259 O ALA A 278 36.059 10.741 43.633 1.00 54.31 O -ATOM 2260 CB ALA A 278 33.820 11.882 41.565 1.00 47.31 C -ATOM 2261 N LYS A 279 36.418 10.074 41.513 1.00 56.45 N -ATOM 2262 CA LYS A 279 37.099 8.847 41.905 1.00 61.36 C -ATOM 2263 C LYS A 279 38.399 9.161 42.635 1.00 65.23 C -ATOM 2264 O LYS A 279 38.739 8.508 43.620 1.00 65.61 O -ATOM 2265 CB LYS A 279 37.387 7.979 40.680 1.00 60.56 C -ATOM 2266 CG LYS A 279 36.149 7.366 40.061 1.00 60.28 C -ATOM 2267 CD LYS A 279 36.500 6.537 38.845 1.00 61.70 C -ATOM 2268 CE LYS A 279 35.261 5.901 38.244 1.00 63.57 C -ATOM 2269 NZ LYS A 279 35.578 5.132 37.010 1.00 65.76 N -ATOM 2270 N PHE A 280 39.127 10.163 42.159 1.00 69.21 N -ATOM 2271 CA PHE A 280 40.377 10.537 42.802 1.00 73.10 C -ATOM 2272 C PHE A 280 40.103 11.267 44.111 1.00 74.76 C -ATOM 2273 O PHE A 280 40.515 10.815 45.176 1.00 73.84 O -ATOM 2274 CB PHE A 280 41.211 11.426 41.877 1.00 74.86 C -ATOM 2275 CG PHE A 280 42.550 11.805 42.447 1.00 78.86 C -ATOM 2276 CD1 PHE A 280 42.648 12.724 43.488 1.00 80.27 C -ATOM 2277 CD2 PHE A 280 43.715 11.229 41.955 1.00 79.09 C -ATOM 2278 CE1 PHE A 280 43.884 13.061 44.029 1.00 81.44 C -ATOM 2279 CE2 PHE A 280 44.956 11.560 42.490 1.00 80.60 C -ATOM 2280 CZ PHE A 280 45.040 12.477 43.529 1.00 81.35 C -ATOM 2281 N ILE A 281 39.403 12.394 44.026 1.00 77.93 N -ATOM 2282 CA ILE A 281 39.082 13.194 45.203 1.00 82.56 C -ATOM 2283 C ILE A 281 38.448 12.364 46.319 1.00 85.66 C -ATOM 2284 O ILE A 281 38.768 12.547 47.494 1.00 86.01 O -ATOM 2285 CB ILE A 281 38.129 14.361 44.842 1.00 83.63 C -ATOM 2286 CG1 ILE A 281 37.966 15.296 46.041 1.00 84.64 C -ATOM 2287 CG2 ILE A 281 36.767 13.823 44.439 1.00 86.66 C -ATOM 2288 CD1 ILE A 281 37.076 16.493 45.763 1.00 85.55 C -ATOM 2289 N MET A 282 37.555 11.450 45.951 1.00 88.77 N -ATOM 2290 CA MET A 282 36.877 10.606 46.932 1.00 91.63 C -ATOM 2291 C MET A 282 37.871 9.625 47.553 1.00 91.04 C -ATOM 2292 O MET A 282 38.425 9.878 48.627 1.00 92.68 O -ATOM 2293 CB MET A 282 35.731 9.830 46.266 1.00 93.88 C -ATOM 2294 CG MET A 282 34.425 9.779 47.065 1.00 98.49 C -ATOM 2295 SD MET A 282 33.418 11.306 47.002 1.00104.61 S -ATOM 2296 CE MET A 282 33.825 12.071 48.583 1.00102.07 C -ATOM 2297 N GLY A 283 38.092 8.507 46.866 1.00 88.82 N -ATOM 2298 CA GLY A 283 39.015 7.498 47.354 1.00 86.34 C -ATOM 2299 C GLY A 283 40.276 7.406 46.515 1.00 85.14 C -ATOM 2300 O GLY A 283 40.444 6.401 45.789 1.00 83.30 O -ATOM 2301 N ASP A 284 41.096 8.345 46.572 1.00 84.59 N -TER 2302 ASP A 284 -HETATM 2303 C1 941 A 322 34.463 29.788 19.757 1.00 25.12 C -HETATM 2304 C2 941 A 322 33.786 29.107 20.876 1.00 27.26 C -HETATM 2305 C3 941 A 322 32.421 29.412 21.126 1.00 27.03 C -HETATM 2306 C4 941 A 322 31.708 30.350 20.319 1.00 20.36 C -HETATM 2307 C5 941 A 322 32.357 31.012 19.229 1.00 26.71 C -HETATM 2308 C6 941 A 322 33.746 30.721 18.957 1.00 24.28 C -HETATM 2309 C9 941 A 322 31.142 31.354 16.983 1.00 27.66 C -HETATM 2310 N1 941 A 322 30.384 32.359 16.250 1.00 35.87 N -HETATM 2311 C10 941 A 322 30.374 32.609 14.936 1.00 39.98 C -HETATM 2312 C11 941 A 322 30.456 29.966 17.205 1.00 28.29 C -HETATM 2313 N2 941 A 322 29.149 30.025 17.495 1.00 30.28 N -HETATM 2314 C12 941 A 322 28.295 28.848 17.778 1.00 28.05 C -HETATM 2315 C13 941 A 322 27.169 29.310 18.745 1.00 31.78 C -HETATM 2316 C14 941 A 322 26.618 30.792 20.765 1.00 29.47 C -HETATM 2317 C15 941 A 322 27.688 30.315 19.811 1.00 28.31 C -HETATM 2318 O1 941 A 322 26.216 29.698 21.598 1.00 25.84 O -HETATM 2319 O4 941 A 322 31.065 31.961 14.193 1.00 47.21 O -HETATM 2320 O9 941 A 322 29.556 33.592 14.516 1.00 45.19 O -HETATM 2321 C8 941 A 322 35.643 27.665 21.750 1.00 29.99 C -HETATM 2322 O8 941 A 322 31.130 28.918 17.136 1.00 30.42 O -HETATM 2323 C7 941 A 322 31.570 31.991 18.361 1.00 28.60 C -HETATM 2324 C16 941 A 322 36.683 28.728 22.195 1.00 29.76 C -HETATM 2325 C24 941 A 322 35.644 26.429 22.674 1.00 30.03 C -HETATM 2326 O6 941 A 322 34.940 26.274 23.617 1.00 25.57 O -HETATM 2327 O7 941 A 322 36.559 25.491 22.307 1.00 29.88 O -HETATM 2328 C32 941 A 322 24.913 29.680 22.184 1.00 25.75 C -HETATM 2329 C33 941 A 322 24.157 30.905 22.499 1.00 23.95 C -HETATM 2330 C34 941 A 322 22.856 30.833 23.090 1.00 27.10 C -HETATM 2331 C35 941 A 322 22.277 29.556 23.380 1.00 22.85 C -HETATM 2332 C36 941 A 322 22.985 28.349 23.085 1.00 24.21 C -HETATM 2333 C37 941 A 322 24.306 28.389 22.487 1.00 24.42 C -HETATM 2334 C38 941 A 322 25.003 27.099 22.203 1.00 27.61 C -HETATM 2335 O11 941 A 322 25.285 26.334 23.106 1.00 30.51 O -HETATM 2336 O12 941 A 322 25.280 26.854 20.901 1.00 30.70 O -HETATM 2337 C39 941 A 322 25.950 25.626 20.481 1.00 23.10 C -HETATM 2338 O13 941 A 322 22.348 27.175 23.401 1.00 28.65 O -HETATM 2339 O3 941 A 322 36.436 29.697 22.833 1.00 29.68 O -HETATM 2340 O5 941 A 322 37.935 28.439 21.761 1.00 32.63 O -HETATM 2341 O2 941 A 322 34.290 28.163 21.774 1.00 26.54 O -HETATM 2342 C41 941 A 322 28.352 33.433 13.620 1.00 45.76 C -HETATM 2343 C42 941 A 322 27.608 32.083 13.908 1.00 44.98 C -HETATM 2344 C43 941 A 322 28.800 33.454 12.141 1.00 45.37 C -HETATM 2345 C44 941 A 322 27.319 34.576 13.860 1.00 41.88 C -HETATM 2346 O HOH A 501 34.819 45.759 37.101 1.00 20.85 O -HETATM 2347 O HOH A 502 37.881 39.738 28.063 1.00 19.99 O -HETATM 2348 O HOH A 503 19.886 39.901 31.565 1.00 22.66 O -HETATM 2349 O HOH A 504 34.019 29.442 24.370 1.00 18.70 O -HETATM 2350 O HOH A 505 28.341 40.063 21.016 1.00 26.60 O -HETATM 2351 O HOH A 506 61.732 35.757 37.186 1.00 19.82 O -HETATM 2352 O HOH A 507 45.029 25.004 25.595 1.00 18.70 O -HETATM 2353 O HOH A 508 21.467 30.617 28.816 1.00 23.27 O -HETATM 2354 O HOH A 509 41.027 27.969 45.701 1.00 22.86 O -HETATM 2355 O HOH A 510 26.322 38.469 31.897 1.00 19.16 O -HETATM 2356 O HOH A 511 40.301 34.946 42.267 1.00 24.02 O -HETATM 2357 O HOH A 512 37.223 41.587 26.261 1.00 19.50 O -HETATM 2358 O HOH A 513 24.969 35.679 28.485 1.00 24.44 O -HETATM 2359 O HOH A 514 24.973 37.946 21.003 1.00 26.93 O -HETATM 2360 O HOH A 515 35.592 45.953 27.146 1.00 19.14 O -HETATM 2361 O HOH A 516 55.779 18.858 33.154 1.00 30.51 O -HETATM 2362 O HOH A 517 52.793 24.774 29.214 1.00 23.07 O -HETATM 2363 O HOH A 518 35.018 43.446 26.308 1.00 22.00 O -HETATM 2364 O HOH A 519 41.572 48.169 26.855 1.00 25.27 O -HETATM 2365 O HOH A 520 32.199 37.695 22.121 1.00 19.82 O -HETATM 2366 O HOH A 521 49.987 23.993 44.017 1.00 36.29 O -HETATM 2367 O HOH A 522 49.407 31.381 23.975 1.00 24.47 O -HETATM 2368 O HOH A 523 42.728 16.802 29.922 1.00 24.58 O -HETATM 2369 O HOH A 524 36.850 31.868 42.305 1.00 21.22 O -HETATM 2370 O HOH A 525 29.756 44.579 30.867 1.00 28.46 O -HETATM 2371 O HOH A 526 43.920 46.833 25.061 1.00 22.57 O -HETATM 2372 O HOH A 527 20.045 30.838 25.824 1.00 30.45 O -HETATM 2373 O HOH A 528 19.306 30.812 41.243 1.00 23.07 O -HETATM 2374 O HOH A 529 38.688 22.324 20.426 1.00 25.68 O -HETATM 2375 O HOH A 530 37.302 33.551 44.505 1.00 22.67 O -HETATM 2376 O HOH A 531 22.403 29.270 26.705 1.00 20.75 O -HETATM 2377 O HOH A 532 60.223 45.187 33.723 1.00 27.20 O -HETATM 2378 O HOH A 533 40.319 26.204 18.277 1.00 28.24 O -HETATM 2379 O HOH A 534 51.413 33.606 24.026 1.00 24.44 O -HETATM 2380 O HOH A 535 42.834 41.774 41.786 1.00 24.12 O -HETATM 2381 O HOH A 536 28.000 50.492 27.344 1.00 31.81 O -HETATM 2382 O HOH A 537 64.687 37.777 28.479 1.00 35.63 O -HETATM 2383 O HOH A 538 19.191 27.567 32.128 1.00 27.53 O -HETATM 2384 O HOH A 539 49.112 25.845 42.217 1.00 27.84 O -HETATM 2385 O HOH A 540 25.642 37.555 38.344 1.00 29.77 O -HETATM 2386 O HOH A 541 57.394 42.261 32.665 1.00 24.30 O -HETATM 2387 O HOH A 542 23.124 29.906 41.569 1.00 26.99 O -HETATM 2388 O HOH A 543 45.868 21.309 17.885 1.00 38.35 O -HETATM 2389 O HOH A 544 60.679 31.991 35.721 1.00 26.87 O -HETATM 2390 O HOH A 545 35.152 29.090 47.066 1.00 33.12 O -HETATM 2391 O HOH A 546 34.349 31.490 44.719 1.00 25.45 O -HETATM 2392 O HOH A 547 44.926 49.105 26.445 1.00 33.25 O -HETATM 2393 O HOH A 548 20.863 41.520 38.279 1.00 26.49 O -HETATM 2394 O HOH A 549 54.241 28.473 28.288 1.00 29.42 O -HETATM 2395 O HOH A 550 60.741 50.413 31.688 1.00 30.71 O -HETATM 2396 O HOH A 551 29.814 44.302 38.088 1.00 23.56 O -HETATM 2397 O HOH A 552 48.806 40.603 46.264 1.00 33.42 O -HETATM 2398 O HOH A 553 47.421 27.813 15.109 1.00 29.35 O -HETATM 2399 O HOH A 554 18.979 41.669 23.892 1.00 32.14 O -HETATM 2400 O HOH A 555 14.220 19.062 26.526 1.00 37.36 O -HETATM 2401 O HOH A 556 33.160 15.646 52.103 1.00 25.09 O -HETATM 2402 O HOH A 557 23.753 33.792 20.522 1.00 22.35 O -HETATM 2403 O HOH A 558 33.815 18.243 18.658 1.00 40.29 O -HETATM 2404 O HOH A 559 35.511 19.044 45.339 1.00 26.83 O -HETATM 2405 O HOH A 560 33.537 33.612 13.595 1.00 43.44 O -HETATM 2406 O HOH A 561 53.457 46.016 37.423 1.00 25.12 O -HETATM 2407 O HOH A 562 19.545 27.357 23.303 1.00 32.25 O -HETATM 2408 O HOH A 563 30.297 36.557 43.731 1.00 33.97 O -HETATM 2409 O HOH A 564 39.778 46.480 43.820 1.00 32.61 O -HETATM 2410 O HOH A 565 49.794 30.492 20.259 1.00 30.68 O -HETATM 2411 O HOH A 566 28.681 53.228 30.694 1.00 37.86 O -HETATM 2412 O HOH A 567 60.761 34.927 29.518 1.00 35.08 O -HETATM 2413 O HOH A 568 36.861 15.374 20.617 1.00 36.47 O -HETATM 2414 O HOH A 569 24.806 42.909 28.162 1.00 26.00 O -HETATM 2415 O HOH A 570 21.105 33.865 23.935 1.00 69.00 O -HETATM 2416 O HOH A 571 40.443 29.710 21.472 1.00 36.55 O -HETATM 2417 O HOH A 572 37.817 24.235 16.936 1.00 31.22 O -HETATM 2418 O HOH A 573 45.164 22.177 14.034 1.00 36.04 O -HETATM 2419 O HOH A 574 35.978 43.090 17.419 1.00 41.58 O -HETATM 2420 O HOH A 575 23.330 32.940 42.583 1.00 35.15 O -HETATM 2421 O HOH A 576 25.867 25.769 43.240 1.00 25.54 O -HETATM 2422 O HOH A 577 25.607 52.826 21.001 1.00 39.80 O -HETATM 2423 O HOH A 578 27.635 18.971 19.105 1.00 34.39 O -HETATM 2424 O HOH A 579 31.246 46.353 39.039 1.00 29.21 O -HETATM 2425 O HOH A 580 47.826 40.622 20.241 1.00 47.32 O -HETATM 2426 O HOH A 581 27.116 22.258 18.965 1.00 30.99 O -HETATM 2427 O HOH A 582 36.443 38.721 48.236 1.00 43.58 O -HETATM 2428 O HOH A 583 27.664 42.000 19.213 1.00 39.49 O -HETATM 2429 O HOH A 584 13.839 27.841 27.710 1.00 47.20 O -HETATM 2430 O HOH A 585 55.434 31.119 38.452 1.00 34.46 O -HETATM 2431 O HOH A 586 36.201 6.885 45.584 1.00 77.98 O -HETATM 2432 O HOH A 587 42.981 19.435 17.086 1.00 38.32 O -HETATM 2433 O HOH A 588 40.688 9.512 24.785 1.00 68.74 O -HETATM 2434 O HOH A 589 30.534 36.443 15.446 1.00 42.54 O -HETATM 2435 O HOH A 590 33.735 28.284 16.337 1.00 39.95 O -HETATM 2436 O HOH A 591 19.689 17.994 43.376 1.00 50.79 O -HETATM 2437 O HOH A 592 29.895 16.869 19.212 1.00 45.60 O -HETATM 2438 O HOH A 593 18.251 45.264 29.962 1.00 37.10 O -HETATM 2439 O HOH A 594 36.596 21.740 18.007 1.00 44.23 O -HETATM 2440 O HOH A 595 48.884 31.481 46.084 1.00 39.27 O -HETATM 2441 O HOH A 596 25.269 31.493 16.436 1.00 45.89 O -HETATM 2442 O HOH A 597 43.033 14.608 22.484 1.00 54.02 O -HETATM 2443 O HOH A 598 25.429 43.154 36.647 1.00 35.00 O -HETATM 2444 O HOH A 599 34.334 13.130 25.563 1.00 41.08 O -HETATM 2445 O HOH A 600 49.045 47.651 26.215 1.00 44.86 O -HETATM 2446 O HOH A 601 24.365 22.556 18.718 1.00 36.47 O -HETATM 2447 O HOH A 602 44.448 18.339 26.595 1.00 32.04 O -HETATM 2448 O HOH A 603 48.195 51.672 26.476 1.00 60.58 O -HETATM 2449 O HOH A 604 47.601 18.664 42.228 1.00 54.22 O -HETATM 2450 O HOH A 605 26.931 51.182 29.866 1.00 30.90 O -HETATM 2451 O HOH A 606 19.152 25.001 39.869 1.00 39.46 O -HETATM 2452 O HOH A 607 22.615 15.287 49.805 1.00 32.44 O -HETATM 2453 O HOH A 608 17.395 18.526 30.568 1.00 42.64 O -HETATM 2454 O HOH A 609 18.891 23.488 37.232 1.00 38.96 O -HETATM 2455 O HOH A 610 65.147 44.676 26.449 1.00 36.81 O -HETATM 2456 O HOH A 611 59.571 27.146 33.729 1.00 34.96 O -HETATM 2457 O HOH A 612 31.462 26.851 19.072 1.00 43.78 O -HETATM 2458 O HOH A 613 39.572 51.704 38.953 1.00 43.74 O -HETATM 2459 O HOH A 614 22.597 46.844 36.749 1.00 46.76 O -HETATM 2460 O HOH A 615 32.946 53.967 24.701 1.00 47.98 O -HETATM 2461 O HOH A 616 56.098 17.349 36.619 1.00 51.44 O -HETATM 2462 O HOH A 617 56.837 34.055 27.636 1.00 63.79 O -HETATM 2463 O HOH A 618 26.951 44.835 38.601 1.00 42.22 O -HETATM 2464 O HOH A 619 31.031 33.079 46.561 1.00 45.51 O -HETATM 2465 O HOH A 620 22.369 35.769 45.813 1.00 53.18 O -HETATM 2466 O HOH A 621 44.919 13.934 30.060 1.00 31.97 O -HETATM 2467 O HOH A 622 34.605 35.404 45.375 1.00 36.54 O -HETATM 2468 O HOH A 623 38.901 45.027 19.498 1.00 54.86 O -HETATM 2469 O HOH A 624 52.054 43.154 45.168 1.00 43.60 O -HETATM 2470 O HOH A 625 52.106 29.711 27.009 1.00 39.90 O -HETATM 2471 O HOH A 626 38.510 35.383 17.459 1.00 41.13 O -HETATM 2472 O HOH A 627 58.725 33.727 42.156 1.00 41.47 O -HETATM 2473 O HOH A 628 42.686 38.922 19.469 1.00 28.57 O -HETATM 2474 O HOH A 629 41.569 6.344 38.526 1.00 54.04 O -HETATM 2475 O HOH A 630 20.834 46.924 22.059 1.00 48.73 O -HETATM 2476 O HOH A 631 38.845 52.545 26.918 1.00 37.15 O -HETATM 2477 O HOH A 632 36.248 22.163 22.498 1.00 44.14 O -HETATM 2478 O HOH A 633 39.253 29.952 13.679 1.00 34.38 O -HETATM 2479 O HOH A 634 22.231 51.106 28.452 1.00 40.04 O -HETATM 2480 O HOH A 635 23.810 13.044 58.790 1.00 52.66 O -HETATM 2481 O HOH A 636 22.983 35.592 42.013 1.00 35.68 O -HETATM 2482 O HOH A 637 31.784 46.054 41.736 1.00 63.53 O -HETATM 2483 O HOH A 638 33.897 20.021 21.075 1.00 35.82 O -HETATM 2484 O HOH A 639 64.446 42.057 26.039 1.00 40.92 O -HETATM 2485 O HOH A 640 26.619 0.222 33.486 1.00 53.20 O -HETATM 2486 O HOH A 641 51.871 36.136 21.260 1.00 47.21 O -HETATM 2487 O HOH A 642 52.051 33.200 45.437 1.00 44.31 O -HETATM 2488 O HOH A 643 42.792 54.328 41.099 1.00 53.10 O -HETATM 2489 O HOH A 644 39.447 53.490 29.886 1.00 39.68 O -HETATM 2490 O HOH A 645 34.221 15.617 45.057 1.00 62.79 O -HETATM 2491 O HOH A 646 54.059 33.818 27.984 1.00 39.27 O -HETATM 2492 O HOH A 647 43.212 52.165 37.442 1.00 50.92 O -HETATM 2493 O HOH A 648 38.040 27.700 19.088 1.00 37.95 O -HETATM 2494 O HOH A 649 21.269 20.198 48.402 1.00 46.51 O -HETATM 2495 O HOH A 650 28.613 50.896 15.840 1.00 48.27 O -HETATM 2496 O HOH A 651 54.607 51.806 42.713 1.00 34.56 O -HETATM 2497 O HOH A 652 16.959 12.732 32.195 1.00 50.92 O -HETATM 2498 O HOH A 653 46.179 32.870 46.951 1.00 50.98 O -HETATM 2499 O HOH A 654 36.927 31.562 16.507 1.00 51.02 O -HETATM 2500 O HOH A 655 38.809 47.204 16.368 1.00 40.96 O -HETATM 2501 O HOH A 656 39.905 17.554 47.196 1.00 42.09 O -HETATM 2502 O HOH A 657 50.517 36.071 47.754 1.00 53.50 O -HETATM 2503 O HOH A 658 39.971 50.631 23.783 1.00 52.29 O -HETATM 2504 O HOH A 659 21.751 12.392 39.708 1.00 50.95 O -HETATM 2505 O HOH A 660 67.155 39.405 29.963 1.00 58.98 O -HETATM 2506 O HOH A 661 38.908 39.876 48.310 1.00 39.80 O -HETATM 2507 O HOH A 662 24.429 11.835 39.203 1.00 48.25 O -HETATM 2508 O HOH A 663 57.389 18.647 39.640 1.00 65.49 O -HETATM 2509 O HOH A 664 54.884 40.174 24.801 1.00 46.71 O -HETATM 2510 O HOH A 665 15.062 32.301 30.553 1.00 42.22 O -HETATM 2511 O HOH A 666 57.101 51.451 33.376 1.00 48.60 O -HETATM 2512 O HOH A 667 42.699 37.813 51.157 1.00 54.19 O -HETATM 2513 O HOH A 668 37.878 16.823 48.787 1.00 47.32 O -HETATM 2514 O HOH A 669 15.806 31.077 33.470 1.00 43.73 O -HETATM 2515 O HOH A 670 47.837 54.809 24.076 1.00 63.82 O -HETATM 2516 O HOH A 671 40.249 16.145 20.064 1.00 55.67 O -HETATM 2517 O HOH A 672 27.816 9.272 43.695 1.00 53.95 O -HETATM 2518 O HOH A 673 60.237 32.837 31.101 1.00 35.84 O -HETATM 2519 O HOH A 674 15.836 28.559 41.277 1.00 40.01 O -HETATM 2520 O HOH A 675 51.019 20.370 44.443 1.00 52.33 O -HETATM 2521 O HOH A 676 35.550 57.220 35.577 1.00 62.17 O -HETATM 2522 O HOH A 677 45.342 16.083 27.795 1.00 56.44 O -HETATM 2523 O HOH A 678 21.035 6.648 35.793 1.00 53.05 O -HETATM 2524 O HOH A 679 26.861 9.778 21.295 1.00 42.26 O -HETATM 2525 O HOH A 680 42.584 54.921 37.341 1.00 48.02 O -HETATM 2526 O HOH A 681 37.498 49.852 22.989 1.00 43.37 O -HETATM 2527 O HOH A 682 21.263 11.414 20.145 1.00 48.58 O -HETATM 2528 O HOH A 683 53.251 18.554 25.576 1.00 45.55 O -HETATM 2529 O HOH A 684 31.501 41.560 17.290 1.00 39.64 O -HETATM 2530 O HOH A 685 55.400 51.468 38.751 1.00 56.74 O -HETATM 2531 O HOH A 686 50.342 47.761 47.370 1.00 39.90 O -HETATM 2532 O HOH A 687 34.506 50.946 22.816 1.00 47.16 O -HETATM 2533 O HOH A 688 54.749 47.390 39.517 1.00 45.36 O -HETATM 2534 O HOH A 689 49.998 57.233 34.904 1.00 50.56 O -HETATM 2535 O HOH A 690 60.727 29.758 37.265 1.00 42.04 O -HETATM 2536 O HOH A 691 20.129 6.838 29.666 1.00 70.66 O -HETATM 2537 O HOH A 692 41.671 37.658 17.313 1.00 44.62 O -HETATM 2538 O HOH A 693 37.706 24.826 19.872 1.00 39.51 O -HETATM 2539 O HOH A 694 25.211 27.279 50.576 1.00 49.01 O -HETATM 2540 O HOH A 695 24.066 5.657 42.668 1.00 49.69 O -HETATM 2541 O HOH A 696 23.251 45.680 31.826 1.00 50.97 O -HETATM 2542 O HOH A 697 42.253 8.939 32.815 1.00 61.90 O -HETATM 2543 O HOH A 698 24.918 11.459 20.201 1.00 40.68 O -HETATM 2544 O HOH A 699 16.834 16.372 22.383 1.00 43.14 O -HETATM 2545 O HOH A 700 58.591 23.051 36.230 1.00 56.88 O -HETATM 2546 O HOH A 701 34.720 41.351 43.477 1.00 42.33 O -HETATM 2547 O HOH A 702 28.703 12.730 51.715 1.00 39.89 O -HETATM 2548 O HOH A 703 28.284 56.583 29.472 1.00 53.45 O -HETATM 2549 O HOH A 704 33.688 14.162 23.248 1.00 66.93 O -HETATM 2550 O HOH A 705 29.431 0.215 30.314 1.00 54.29 O -HETATM 2551 O HOH A 706 15.848 31.203 23.562 1.00 56.17 O -HETATM 2552 O HOH A 707 36.408 53.101 23.659 1.00 50.34 O -HETATM 2553 O HOH A 708 58.481 24.990 40.589 1.00 54.01 O -HETATM 2554 O HOH A 709 46.519 45.522 47.034 1.00 62.68 O -HETATM 2555 O HOH A 710 23.005 8.918 50.200 1.00 63.21 O -HETATM 2556 O HOH A 711 23.763 49.451 32.320 1.00 50.56 O -HETATM 2557 O HOH A 712 30.990 4.319 28.408 1.00 42.22 O -HETATM 2558 O HOH A 713 30.166 61.150 34.269 1.00 48.62 O -HETATM 2559 O HOH A 714 46.303 56.623 32.630 1.00 73.17 O -HETATM 2560 O HOH A 715 30.199 26.929 14.918 1.00 52.09 O -HETATM 2561 O HOH A 716 55.785 30.754 27.944 1.00 44.71 O -HETATM 2562 O HOH A 717 50.858 24.989 40.123 1.00 37.64 O -HETATM 2563 O HOH A 718 58.151 46.568 27.898 1.00 44.42 O -HETATM 2564 O HOH A 719 14.887 48.629 27.526 1.00 63.83 O -HETATM 2565 O HOH A 720 45.043 32.156 49.214 1.00 60.20 O -HETATM 2566 O HOH A 721 38.856 29.285 51.477 1.00 67.68 O -HETATM 2567 O HOH A 722 40.983 29.283 11.485 1.00 44.83 O -HETATM 2568 O HOH A 723 24.173 2.061 33.027 1.00 55.17 O -HETATM 2569 O HOH A 724 20.650 11.298 30.866 1.00 64.79 O -HETATM 2570 O HOH A 725 37.046 55.952 37.835 1.00 69.54 O -HETATM 2571 O HOH A 726 47.015 37.919 19.636 1.00 44.99 O -HETATM 2572 O HOH A 727 26.677 20.106 36.395 1.00 74.80 O -HETATM 2573 O HOH A 728 55.387 58.301 43.918 1.00 41.12 O -HETATM 2574 O HOH A 729 25.219 21.886 50.307 1.00 39.75 O -HETATM 2575 O HOH A 730 52.996 47.799 27.187 1.00 49.54 O -HETATM 2576 O HOH A 731 32.718 2.920 32.690 1.00 51.69 O -HETATM 2577 O HOH A 732 21.620 28.216 17.275 1.00 55.40 O -HETATM 2578 O HOH A 733 63.387 33.909 33.023 1.00 40.60 O -HETATM 2579 O HOH A 734 52.705 22.437 41.283 1.00 56.57 O -HETATM 2580 O HOH A 735 18.556 12.641 35.133 1.00 62.37 O -HETATM 2581 O HOH A 736 52.164 38.254 47.169 1.00 63.50 O -HETATM 2582 O HOH A 737 59.015 36.926 23.372 1.00 45.33 O -HETATM 2583 O HOH A 738 31.292 56.190 26.435 1.00 56.91 O -HETATM 2584 O HOH A 739 37.148 49.368 42.360 1.00 50.88 O -HETATM 2585 O HOH A 740 37.275 12.406 25.341 1.00 51.42 O -HETATM 2586 O HOH A 741 19.431 12.429 47.777 1.00 60.84 O -HETATM 2587 O HOH A 742 26.048 8.977 47.320 1.00 63.20 O -HETATM 2588 O HOH A 743 19.565 15.346 56.382 1.00 47.26 O -HETATM 2589 O HOH A 744 24.829 48.101 16.841 1.00 68.82 O -HETATM 2590 O HOH A 745 36.027 53.523 27.784 1.00 57.89 O -HETATM 2591 O HOH A 746 44.426 57.632 30.300 1.00 58.25 O -HETATM 2592 O HOH A 747 26.465 12.402 41.440 1.00 47.77 O -HETATM 2593 O HOH A 748 22.983 41.621 16.096 1.00 56.67 O -HETATM 2594 O HOH A 749 29.068 51.255 36.521 1.00 70.21 O -HETATM 2595 O HOH A 750 19.652 37.171 24.613 1.00 40.60 O -HETATM 2596 O HOH A 751 47.531 57.725 27.518 1.00 63.65 O -CONECT 2303 2304 2308 -CONECT 2304 2303 2305 2341 -CONECT 2305 2304 2306 -CONECT 2306 2305 2307 -CONECT 2307 2306 2308 2323 -CONECT 2308 2303 2307 -CONECT 2309 2310 2312 2323 -CONECT 2310 2309 2311 -CONECT 2311 2310 2319 2320 -CONECT 2312 2309 2313 2322 -CONECT 2313 2312 2314 -CONECT 2314 2313 2315 -CONECT 2315 2314 2317 -CONECT 2316 2317 2318 -CONECT 2317 2315 2316 -CONECT 2318 2316 2328 -CONECT 2319 2311 -CONECT 2320 2311 2342 -CONECT 2321 2324 2325 2341 -CONECT 2322 2312 -CONECT 2323 2307 2309 -CONECT 2324 2321 2339 2340 -CONECT 2325 2321 2326 2327 -CONECT 2326 2325 -CONECT 2327 2325 -CONECT 2328 2318 2329 2333 -CONECT 2329 2328 2330 -CONECT 2330 2329 2331 -CONECT 2331 2330 2332 -CONECT 2332 2331 2333 2338 -CONECT 2333 2328 2332 2334 -CONECT 2334 2333 2335 2336 -CONECT 2335 2334 -CONECT 2336 2334 2337 -CONECT 2337 2336 -CONECT 2338 2332 -CONECT 2339 2324 -CONECT 2340 2324 -CONECT 2341 2304 2321 -CONECT 2342 2320 2343 2344 2345 -CONECT 2343 2342 -CONECT 2344 2342 -CONECT 2345 2342 -MASTER 375 0 1 11 10 0 6 6 2595 1 43 25 -END diff --git a/moldesign/_tests/data/1pyn.pdb.gz b/moldesign/_tests/data/1pyn.pdb.gz new file mode 100644 index 0000000..7a37929 Binary files /dev/null and b/moldesign/_tests/data/1pyn.pdb.gz differ diff --git a/moldesign/_tests/data/3ac2.pdb b/moldesign/_tests/data/3ac2.pdb deleted file mode 100644 index da5ab19..0000000 --- a/moldesign/_tests/data/3ac2.pdb +++ /dev/null @@ -1,3090 +0,0 @@ -HEADER TRANSFERASE 28-DEC-09 3AC2 -TITLE CRYSTAL STRUCTURE OF PYRAZOLO PYRIMIDINE DERIVATIVE BOUND TO THE -TITLE 2 KINASE DOMAIN OF HUMAN LCK, (AUTO-PHOSPHORYLATED ON TYR394) -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK; -COMPND 3 CHAIN: A; -COMPND 4 FRAGMENT: UNP RESIDUES 225-509; -COMPND 5 SYNONYM: LYMPHOCYTE KINASE, LCK, LYMPHOCYTE CELL-SPECIFIC PROTEIN- -COMPND 6 TYROSINE KINASE, P56-LCK, LSK, T CELL-SPECIFIC PROTEIN-TYROSINE -COMPND 7 KINASE; -COMPND 8 EC: 2.7.10.2; -COMPND 9 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_COMMON: HUMAN; -SOURCE 4 ORGANISM_TAXID: 9606; -SOURCE 5 GENE: LCK; -SOURCE 6 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 7108; -SOURCE 8 EXPRESSION_SYSTEM_STRAIN: SF9; -SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: BACULOVIRUS; -SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET-19B -KEYWDS TYROSINE-PROTEIN KINASE, ATP-BINDING, PHOSPHORYLATION, SIGNAL -KEYWDS 2 TRANSDUCTION, ALTERNATIVE SPLICING, KINASE, SH2 DOMAIN, SH3 DOMAIN, -KEYWDS 3 TRANSFERASE -EXPDTA X-RAY DIFFRACTION -AUTHOR E.TSUJI -REVDAT 1 30-JUN-10 3AC2 0 -JRNL AUTH M.OZAWA,T.OZAWA,E.TSUJI,K.OKAZAKI,K.TAKEDA -JRNL TITL AB INITIO FRAGMENT MOLECULAR ORBITAL STUDY OF LIGAND -JRNL TITL 2 BINDING TO LEUKOCYTE-SPECIFIC PROTEIN TYROSINE (LCK) KINASE -JRNL REF TO BE PUBLISHED -JRNL REFN -REMARK 2 -REMARK 2 RESOLUTION. 2.10 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.5.0072 -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) : 2.10 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL -REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5 -REMARK 3 NUMBER OF REFLECTIONS : 15195 -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) : 0.164 -REMARK 3 R VALUE (WORKING SET) : 0.157 -REMARK 3 FREE R VALUE : 0.225 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 -REMARK 3 FREE R VALUE TEST SET COUNT : 1714 -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) : 2.10 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.15 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 1072 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.92 -REMARK 3 BIN R VALUE (WORKING SET) : 0.1570 -REMARK 3 BIN FREE R VALUE SET COUNT : 115 -REMARK 3 BIN FREE R VALUE : 0.2810 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 2210 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 52 -REMARK 3 SOLVENT ATOMS : 270 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 18.20 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 8.85 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : -0.51000 -REMARK 3 B22 (A**2) : -0.23000 -REMARK 3 B33 (A**2) : 0.74000 -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): 0.243 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.201 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.113 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.165 -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.945 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.898 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2314 ; 0.017 ; 0.022 -REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3145 ; 1.623 ; 1.988 -REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 270 ; 6.142 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 109 ;35.519 ;23.761 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 395 ;14.740 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;18.817 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 335 ; 0.112 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1750 ; 0.010 ; 0.021 -REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL -REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL -REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL -REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL -REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL -REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL -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): NULL ; NULL ; NULL -REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL -REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL -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): 1354 ; 0.996 ; 1.500 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2194 ; 1.794 ; 2.000 -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 960 ; 2.928 ; 3.000 -REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 951 ; 4.668 ; 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 : NULL -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: NULL -REMARK 4 -REMARK 4 3AC2 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-JAN-10. -REMARK 100 THE RCSB ID CODE IS RCSB029068. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 03-OCT-02 -REMARK 200 TEMPERATURE (KELVIN) : 93 -REMARK 200 PH : 6.5 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : SPRING-8 -REMARK 200 BEAMLINE : BL32B2 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : SI 111 CHANNEL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : RIGAKU JUPITER 210 -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM -REMARK 200 DATA SCALING SOFTWARE : SCALA -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17105 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 -REMARK 200 RESOLUTION RANGE LOW (A) : 28.620 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 98.8 -REMARK 200 DATA REDUNDANCY : 3.300 -REMARK 200 R MERGE (I) : 0.07900 -REMARK 200 R SYM (I) : 0.09500 -REMARK 200 FOR THE DATA SET : 14.1000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.21 -REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 -REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 -REMARK 200 R MERGE FOR SHELL (I) : 0.13100 -REMARK 200 R SYM FOR SHELL (I) : 0.15400 -REMARK 200 FOR SHELL : 9.800 -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: PDB ENTRY 3LCK -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 43.11 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.16 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M (NH4)2SO4, 0.1M SODIUM -REMARK 280 CACODYLATE, 30% PEG 8000, MPD 5.2%, PH 6.5, VAPOR DIFFUSION, -REMARK 280 HANGING DROP, TEMPERATURE 277K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 21.08000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.82900 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 37.00250 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.82900 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.08000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 37.00250 -REMARK 290 SMTRY3 4 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: MONOMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 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 GLN A 225 -REMARK 465 THR A 226 -REMARK 465 GLN A 227 -REMARK 465 LYS A 228 -REMARK 465 PRO A 229 -REMARK 465 GLN A 230 -REMARK 465 GLY A 503 -REMARK 465 GLN A 504 -REMARK 465 TYR A 505 -REMARK 465 GLN A 506 -REMARK 465 PRO A 507 -REMARK 465 GLN A 508 -REMARK 465 PRO A 509 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 GLU A 502 CA C O CB CG CD OE1 -REMARK 470 GLU A 502 OE2 -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 107 O HOH A 223 2.09 -REMARK 500 O HOH A 521 O HOH A 522 2.09 -REMARK 500 O HOH A 203 O HOH A 215 2.12 -REMARK 500 O HOH A 533 O HOH A 535 2.12 -REMARK 500 NZ LYS A 293 O HOH A 529 2.17 -REMARK 500 O HOH A 538 O HOH A 543 2.18 -REMARK 500 NZ LYS A 478 O HOH A 537 2.19 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC -REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 -REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A -REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 -REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE -REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. -REMARK 500 -REMARK 500 DISTANCE CUTOFF: -REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS -REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE -REMARK 500 O HOH A 62 O HOH A 214 1655 2.09 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ARG A 363 -4.91 73.34 -REMARK 500 ASP A 382 84.09 64.15 -REMARK 500 ASP A 391 58.17 -114.47 -REMARK 500 ASN A 392 -36.45 68.28 -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 538 DISTANCE = 5.42 ANGSTROMS -REMARK 525 HOH A 548 DISTANCE = 6.12 ANGSTROMS -REMARK 525 HOH A 549 DISTANCE = 7.10 ANGSTROMS -REMARK 525 HOH A 558 DISTANCE = 6.46 ANGSTROMS -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 510 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 511 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 512 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD A 513 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE KSE A 514 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 3LCK RELATED DB: PDB -REMARK 900 STRUCTURAL BASIS FOR ACTIVATION OF HUMAN LYMPHOCYTE KINASE -REMARK 900 LCK UPON TYROSINE PHOSPHORYLATION NATURE VOL. 384, 484, 1996 -REMARK 900 RELATED ID: 3AC1 RELATED DB: PDB -REMARK 900 RELATED ID: 3AC3 RELATED DB: PDB -REMARK 900 RELATED ID: 3AC4 RELATED DB: PDB -REMARK 900 RELATED ID: 3AC5 RELATED DB: PDB -REMARK 900 RELATED ID: 3AC8 RELATED DB: PDB -REMARK 900 RELATED ID: 3ACJ RELATED DB: PDB -REMARK 900 RELATED ID: 3ACK RELATED DB: PDB -DBREF 3AC2 A 225 509 UNP P06239 LCK_HUMAN 225 509 -SEQRES 1 A 285 GLN THR GLN LYS PRO GLN LYS PRO TRP TRP GLU ASP GLU -SEQRES 2 A 285 TRP GLU VAL PRO ARG GLU THR LEU LYS LEU VAL GLU ARG -SEQRES 3 A 285 LEU GLY ALA GLY GLN PHE GLY GLU VAL TRP MET GLY TYR -SEQRES 4 A 285 TYR ASN GLY HIS THR LYS VAL ALA VAL LYS SER LEU LYS -SEQRES 5 A 285 GLN GLY SER MET SER PRO ASP ALA PHE LEU ALA GLU ALA -SEQRES 6 A 285 ASN LEU MET LYS GLN LEU GLN HIS GLN ARG LEU VAL ARG -SEQRES 7 A 285 LEU TYR ALA VAL VAL THR GLN GLU PRO ILE TYR ILE ILE -SEQRES 8 A 285 THR GLU TYR MET GLU ASN GLY SER LEU VAL ASP PHE LEU -SEQRES 9 A 285 LYS THR PRO SER GLY ILE LYS LEU THR ILE ASN LYS LEU -SEQRES 10 A 285 LEU ASP MET ALA ALA GLN ILE ALA GLU GLY MET ALA PHE -SEQRES 11 A 285 ILE GLU GLU ARG ASN TYR ILE HIS ARG ASP LEU ARG ALA -SEQRES 12 A 285 ALA ASN ILE LEU VAL SER ASP THR LEU SER CYS LYS ILE -SEQRES 13 A 285 ALA ASP PHE GLY LEU ALA ARG LEU ILE GLU ASP ASN GLU -SEQRES 14 A 285 PTR THR ALA ARG GLU GLY ALA LYS PHE PRO ILE LYS TRP -SEQRES 15 A 285 THR ALA PRO GLU ALA ILE ASN TYR GLY THR PHE THR ILE -SEQRES 16 A 285 LYS SER ASP VAL TRP SER PHE GLY ILE LEU LEU THR GLU -SEQRES 17 A 285 ILE VAL THR HIS GLY ARG ILE PRO TYR PRO GLY MET THR -SEQRES 18 A 285 ASN PRO GLU VAL ILE GLN ASN LEU GLU ARG GLY TYR ARG -SEQRES 19 A 285 MET VAL ARG PRO ASP ASN CYS PRO GLU GLU LEU TYR GLN -SEQRES 20 A 285 LEU MET ARG LEU CYS TRP LYS GLU ARG PRO GLU ASP ARG -SEQRES 21 A 285 PRO THR PHE ASP TYR LEU ARG SER VAL LEU GLU ASP PHE -SEQRES 22 A 285 PHE THR ALA THR GLU GLY GLN TYR GLN PRO GLN PRO -MODRES 3AC2 PTR A 394 TYR O-PHOSPHOTYROSINE -HET PTR A 394 16 -HET SO4 A 510 5 -HET SO4 A 511 5 -HET DMS A 512 4 -HET MPD A 513 8 -HET KSE A 514 30 -HETNAM PTR O-PHOSPHOTYROSINE -HETNAM SO4 SULFATE ION -HETNAM DMS DIMETHYL SULFOXIDE -HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL -HETNAM KSE 7-[(2-AMINO-2-METHYLPROPYL)AMINO]-2-[(3,5- -HETNAM 2 KSE DIMETHOXYPHENYL)AMINO]-5-METHYLPYRAZOLO[1,5- -HETNAM 3 KSE A]PYRIMIDINE-3-CARBOXAMIDE -HETSYN PTR PHOSPHONOTYROSINE -FORMUL 1 PTR C9 H12 N O6 P -FORMUL 2 SO4 2(O4 S 2-) -FORMUL 4 DMS C2 H6 O S -FORMUL 5 MPD C6 H14 O2 -FORMUL 6 KSE C20 H27 N7 O3 -FORMUL 7 HOH *270(H2 O) -HELIX 1 1 PRO A 241 GLU A 243 5 3 -HELIX 2 2 SER A 281 GLN A 294 1 14 -HELIX 3 3 SER A 323 LEU A 328 1 6 -HELIX 4 4 THR A 330 LEU A 336 1 7 -HELIX 5 5 THR A 337 ARG A 358 1 22 -HELIX 6 6 ARG A 366 ALA A 368 5 3 -HELIX 7 7 ALA A 408 GLY A 415 1 8 -HELIX 8 8 THR A 418 THR A 435 1 18 -HELIX 9 9 THR A 445 ARG A 455 1 11 -HELIX 10 10 PRO A 466 TRP A 477 1 12 -HELIX 11 11 ARG A 480 ARG A 484 5 5 -HELIX 12 12 THR A 486 THR A 501 1 16 -SHEET 1 A 5 LEU A 245 GLY A 254 0 -SHEET 2 A 5 GLY A 257 TYR A 264 -1 O MET A 261 N GLU A 249 -SHEET 3 A 5 THR A 268 LEU A 275 -1 O VAL A 272 N TRP A 260 -SHEET 4 A 5 TYR A 313 GLU A 317 -1 O ILE A 314 N LYS A 273 -SHEET 5 A 5 LEU A 303 VAL A 307 -1 N ALA A 305 O ILE A 315 -SHEET 1 B 2 TYR A 360 ILE A 361 0 -SHEET 2 B 2 ARG A 387 LEU A 388 -1 O ARG A 387 N ILE A 361 -SHEET 1 C 2 ILE A 370 VAL A 372 0 -SHEET 2 C 2 CYS A 378 ILE A 380 -1 O LYS A 379 N LEU A 371 -SHEET 1 D 2 PTR A 394 THR A 395 0 -SHEET 2 D 2 THR A 416 PHE A 417 -1 O PHE A 417 N PTR A 394 -LINK C GLU A 393 N PTR A 394 1555 1555 1.33 -LINK C PTR A 394 N THR A 395 1555 1555 1.34 -CISPEP 1 GLU A 310 PRO A 311 0 -2.21 -SITE 1 AC1 9 HOH A 10 HOH A 17 HOH A 146 GLN A 298 -SITE 2 AC1 9 ARG A 299 SER A 377 LYS A 379 TYR A 457 -SITE 3 AC1 9 ARG A 458 -SITE 1 AC2 4 TYR A 263 GLY A 266 HIS A 267 TYR A 489 -SITE 1 AC3 6 HOH A 194 TRP A 233 GLU A 239 THR A 308 -SITE 2 AC3 6 GLN A 309 HOH A 519 -SITE 1 AC4 9 HOH A 139 HOH A 170 HOH A 187 HOH A 216 -SITE 2 AC4 9 ARG A 397 PRO A 403 ILE A 404 LYS A 405 -SITE 3 AC4 9 ASN A 446 -SITE 1 AC5 10 HOH A 136 HOH A 172 HOH A 210 ALA A 271 -SITE 2 AC5 10 GLU A 317 TYR A 318 MET A 319 GLU A 320 -SITE 3 AC5 10 GLY A 322 LEU A 371 -CRYST1 42.160 74.005 91.658 90.00 90.00 90.00 P 21 21 21 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 0.023719 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.013513 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.010910 0.00000 -ATOM 1 N LYS A 231 1.346 44.893 1.638 1.00 11.05 N -ATOM 2 CA LYS A 231 1.312 46.308 1.172 1.00 10.32 C -ATOM 3 C LYS A 231 2.200 46.376 -0.042 1.00 9.76 C -ATOM 4 O LYS A 231 3.260 45.736 -0.042 1.00 8.20 O -ATOM 5 CB LYS A 231 1.899 47.221 2.239 1.00 11.22 C -ATOM 6 CG LYS A 231 1.069 47.314 3.506 1.00 14.58 C -ATOM 7 CD LYS A 231 1.885 48.050 4.553 1.00 18.30 C -ATOM 8 CE LYS A 231 1.012 48.632 5.640 1.00 22.97 C -ATOM 9 NZ LYS A 231 1.715 49.803 6.281 1.00 22.68 N -ATOM 10 N PRO A 232 1.823 47.198 -1.057 1.00 9.15 N -ATOM 11 CA PRO A 232 2.734 47.318 -2.207 1.00 8.22 C -ATOM 12 C PRO A 232 4.028 48.023 -1.768 1.00 9.37 C -ATOM 13 O PRO A 232 4.039 48.724 -0.722 1.00 6.86 O -ATOM 14 CB PRO A 232 1.946 48.211 -3.192 1.00 9.25 C -ATOM 15 CG PRO A 232 0.967 48.995 -2.328 1.00 8.29 C -ATOM 16 CD PRO A 232 0.583 47.997 -1.231 1.00 7.91 C -ATOM 17 N TRP A 233 5.091 47.867 -2.565 1.00 8.46 N -ATOM 18 CA TRP A 233 6.384 48.457 -2.236 1.00 9.22 C -ATOM 19 C TRP A 233 6.352 49.951 -1.851 1.00 9.40 C -ATOM 20 O TRP A 233 7.156 50.377 -1.020 1.00 9.13 O -ATOM 21 CB TRP A 233 7.425 48.228 -3.358 1.00 8.61 C -ATOM 22 CG TRP A 233 7.261 49.100 -4.599 1.00 8.59 C -ATOM 23 CD1 TRP A 233 6.756 48.700 -5.800 1.00 7.51 C -ATOM 24 CD2 TRP A 233 7.727 50.453 -4.792 1.00 8.92 C -ATOM 25 NE1 TRP A 233 6.847 49.714 -6.724 1.00 8.31 N -ATOM 26 CE2 TRP A 233 7.424 50.809 -6.132 1.00 9.43 C -ATOM 27 CE3 TRP A 233 8.354 51.396 -3.965 1.00 6.69 C -ATOM 28 CZ2 TRP A 233 7.683 52.074 -6.648 1.00 7.23 C -ATOM 29 CZ3 TRP A 233 8.591 52.671 -4.466 1.00 8.92 C -ATOM 30 CH2 TRP A 233 8.275 52.995 -5.813 1.00 11.19 C -ATOM 31 N TRP A 234 5.445 50.739 -2.450 1.00 8.92 N -ATOM 32 CA TRP A 234 5.408 52.189 -2.183 1.00 8.01 C -ATOM 33 C TRP A 234 4.706 52.497 -0.851 1.00 8.07 C -ATOM 34 O TRP A 234 4.747 53.641 -0.360 1.00 8.09 O -ATOM 35 CB TRP A 234 4.781 53.006 -3.357 1.00 7.15 C -ATOM 36 CG TRP A 234 3.357 52.609 -3.710 1.00 5.03 C -ATOM 37 CD1 TRP A 234 2.225 53.090 -3.145 1.00 6.40 C -ATOM 38 CD2 TRP A 234 2.939 51.600 -4.647 1.00 4.82 C -ATOM 39 NE1 TRP A 234 1.120 52.473 -3.679 1.00 3.95 N -ATOM 40 CE2 TRP A 234 1.526 51.545 -4.598 1.00 4.77 C -ATOM 41 CE3 TRP A 234 3.623 50.695 -5.485 1.00 7.79 C -ATOM 42 CZ2 TRP A 234 0.765 50.656 -5.398 1.00 7.34 C -ATOM 43 CZ3 TRP A 234 2.862 49.796 -6.278 1.00 5.67 C -ATOM 44 CH2 TRP A 234 1.450 49.799 -6.236 1.00 4.96 C -ATOM 45 N GLU A 235 4.052 51.501 -0.276 1.00 6.59 N -ATOM 46 CA GLU A 235 3.459 51.668 1.084 1.00 9.75 C -ATOM 47 C GLU A 235 4.169 50.848 2.164 1.00 9.96 C -ATOM 48 O GLU A 235 3.907 51.014 3.363 1.00 11.64 O -ATOM 49 CB GLU A 235 1.949 51.333 1.099 1.00 8.20 C -ATOM 50 CG GLU A 235 1.109 52.346 0.322 1.00 12.24 C -ATOM 51 CD GLU A 235 -0.351 52.040 0.376 1.00 16.30 C -ATOM 52 OE1 GLU A 235 -0.752 51.052 1.030 1.00 20.87 O -ATOM 53 OE2 GLU A 235 -1.110 52.796 -0.254 1.00 23.08 O -ATOM 54 N ASP A 236 4.998 49.909 1.728 1.00 9.15 N -ATOM 55 CA ASP A 236 5.686 48.980 2.644 1.00 9.65 C -ATOM 56 C ASP A 236 6.747 49.717 3.506 1.00 8.56 C -ATOM 57 O ASP A 236 7.708 50.282 2.986 1.00 7.48 O -ATOM 58 CB ASP A 236 6.296 47.844 1.807 1.00 8.99 C -ATOM 59 CG ASP A 236 6.968 46.761 2.656 1.00 15.91 C -ATOM 60 OD1 ASP A 236 6.564 46.539 3.801 1.00 18.67 O -ATOM 61 OD2 ASP A 236 7.896 46.109 2.155 1.00 23.17 O -ATOM 62 N GLU A 237 6.569 49.694 4.829 1.00 8.88 N -ATOM 63 CA GLU A 237 7.504 50.330 5.755 1.00 8.64 C -ATOM 64 C GLU A 237 8.915 49.738 5.704 1.00 7.84 C -ATOM 65 O GLU A 237 9.849 50.412 6.098 1.00 7.29 O -ATOM 66 CB GLU A 237 6.958 50.381 7.206 1.00 10.33 C -ATOM 67 CG GLU A 237 6.101 49.161 7.660 1.00 17.33 C -ATOM 68 CD GLU A 237 4.729 49.121 6.917 1.00 25.43 C -ATOM 69 OE1 GLU A 237 4.162 50.215 6.665 1.00 30.49 O -ATOM 70 OE2 GLU A 237 4.245 48.024 6.530 1.00 24.43 O -ATOM 71 N TRP A 238 9.082 48.520 5.178 1.00 5.68 N -ATOM 72 CA TRP A 238 10.415 47.893 5.034 1.00 5.40 C -ATOM 73 C TRP A 238 11.192 48.265 3.781 1.00 4.63 C -ATOM 74 O TRP A 238 12.412 48.075 3.726 1.00 3.17 O -ATOM 75 CB TRP A 238 10.330 46.361 5.125 1.00 6.82 C -ATOM 76 CG TRP A 238 10.264 45.909 6.558 1.00 12.01 C -ATOM 77 CD1 TRP A 238 11.322 45.759 7.446 1.00 17.36 C -ATOM 78 CD2 TRP A 238 9.093 45.656 7.293 1.00 16.09 C -ATOM 79 NE1 TRP A 238 10.853 45.405 8.691 1.00 20.52 N -ATOM 80 CE2 TRP A 238 9.487 45.301 8.611 1.00 19.94 C -ATOM 81 CE3 TRP A 238 7.743 45.611 6.953 1.00 18.50 C -ATOM 82 CZ2 TRP A 238 8.580 44.925 9.573 1.00 22.12 C -ATOM 83 CZ3 TRP A 238 6.837 45.272 7.919 1.00 23.58 C -ATOM 84 CH2 TRP A 238 7.252 44.923 9.212 1.00 26.18 C -ATOM 85 N GLU A 239 10.486 48.710 2.745 1.00 3.64 N -ATOM 86 CA GLU A 239 11.138 49.142 1.503 1.00 3.65 C -ATOM 87 C GLU A 239 12.079 50.318 1.758 1.00 3.38 C -ATOM 88 O GLU A 239 11.676 51.298 2.381 1.00 3.48 O -ATOM 89 CB GLU A 239 10.110 49.545 0.424 1.00 4.19 C -ATOM 90 CG GLU A 239 10.742 49.691 -0.979 1.00 4.61 C -ATOM 91 CD GLU A 239 10.982 48.336 -1.684 1.00 7.61 C -ATOM 92 OE1 GLU A 239 10.272 47.337 -1.370 1.00 8.05 O -ATOM 93 OE2 GLU A 239 11.869 48.285 -2.577 1.00 5.62 O -ATOM 94 N VAL A 240 13.314 50.220 1.275 1.00 3.08 N -ATOM 95 CA VAL A 240 14.236 51.362 1.282 1.00 3.54 C -ATOM 96 C VAL A 240 14.807 51.625 -0.126 1.00 4.24 C -ATOM 97 O VAL A 240 14.951 50.685 -0.928 1.00 5.20 O -ATOM 98 CB VAL A 240 15.385 51.202 2.339 1.00 3.31 C -ATOM 99 CG1 VAL A 240 14.804 51.069 3.775 1.00 4.49 C -ATOM 100 CG2 VAL A 240 16.336 50.005 2.001 1.00 2.37 C -ATOM 101 N PRO A 241 15.074 52.905 -0.474 1.00 4.78 N -ATOM 102 CA PRO A 241 15.758 53.103 -1.766 1.00 4.47 C -ATOM 103 C PRO A 241 17.137 52.427 -1.742 1.00 4.87 C -ATOM 104 O PRO A 241 17.828 52.447 -0.693 1.00 3.53 O -ATOM 105 CB PRO A 241 15.901 54.636 -1.865 1.00 5.16 C -ATOM 106 CG PRO A 241 14.799 55.195 -1.014 1.00 6.07 C -ATOM 107 CD PRO A 241 14.647 54.180 0.144 1.00 4.40 C -ATOM 108 N ARG A 242 17.530 51.794 -2.852 1.00 3.91 N -ATOM 109 CA ARG A 242 18.831 51.122 -2.927 1.00 6.22 C -ATOM 110 C ARG A 242 20.017 52.063 -2.549 1.00 5.62 C -ATOM 111 O ARG A 242 21.016 51.644 -1.936 1.00 4.86 O -ATOM 112 CB ARG A 242 19.046 50.446 -4.300 1.00 5.92 C -ATOM 113 CG ARG A 242 20.235 49.450 -4.318 1.00 9.82 C -ATOM 114 CD ARG A 242 20.570 48.925 -5.744 1.00 13.50 C -ATOM 115 NE ARG A 242 19.344 48.628 -6.512 1.00 10.18 N -ATOM 116 CZ ARG A 242 18.712 47.466 -6.442 1.00 11.79 C -ATOM 117 NH1 ARG A 242 19.204 46.499 -5.669 1.00 12.89 N -ATOM 118 NH2 ARG A 242 17.602 47.265 -7.141 1.00 12.37 N -ATOM 119 N GLU A 243 19.856 53.344 -2.836 1.00 5.61 N -ATOM 120 CA GLU A 243 20.911 54.350 -2.597 1.00 7.46 C -ATOM 121 C GLU A 243 21.267 54.469 -1.099 1.00 6.31 C -ATOM 122 O GLU A 243 22.358 54.902 -0.746 1.00 4.70 O -ATOM 123 CB GLU A 243 20.438 55.722 -3.094 1.00 8.41 C -ATOM 124 CG GLU A 243 20.394 55.832 -4.586 1.00 15.10 C -ATOM 125 CD GLU A 243 19.136 55.198 -5.197 1.00 22.24 C -ATOM 126 OE1 GLU A 243 18.100 55.048 -4.489 1.00 15.96 O -ATOM 127 OE2 GLU A 243 19.194 54.863 -6.408 1.00 27.63 O -ATOM 128 N THR A 244 20.350 54.087 -0.217 1.00 4.43 N -ATOM 129 CA THR A 244 20.631 54.157 1.218 1.00 3.86 C -ATOM 130 C THR A 244 21.710 53.125 1.652 1.00 4.70 C -ATOM 131 O THR A 244 22.190 53.152 2.804 1.00 4.40 O -ATOM 132 CB THR A 244 19.346 53.913 2.053 1.00 4.21 C -ATOM 133 OG1 THR A 244 18.841 52.618 1.745 1.00 2.00 O -ATOM 134 CG2 THR A 244 18.263 54.972 1.778 1.00 2.00 C -ATOM 135 N LEU A 245 22.069 52.213 0.750 1.00 4.25 N -ATOM 136 CA LEU A 245 22.923 51.083 1.115 1.00 5.45 C -ATOM 137 C LEU A 245 24.308 51.106 0.466 1.00 6.58 C -ATOM 138 O LEU A 245 24.430 51.340 -0.741 1.00 5.75 O -ATOM 139 CB LEU A 245 22.213 49.759 0.762 1.00 5.78 C -ATOM 140 CG LEU A 245 20.877 49.502 1.504 1.00 3.54 C -ATOM 141 CD1 LEU A 245 20.116 48.361 0.866 1.00 2.83 C -ATOM 142 CD2 LEU A 245 21.136 49.192 2.937 1.00 2.00 C -ATOM 143 N LYS A 246 25.351 50.834 1.258 1.00 7.60 N -ATOM 144 CA LYS A 246 26.698 50.700 0.710 1.00 8.46 C -ATOM 145 C LYS A 246 27.227 49.336 1.095 1.00 8.55 C -ATOM 146 O LYS A 246 27.373 49.016 2.277 1.00 8.31 O -ATOM 147 CB LYS A 246 27.651 51.773 1.225 1.00 8.67 C -ATOM 148 CG LYS A 246 29.016 51.729 0.489 1.00 15.42 C -ATOM 149 CD LYS A 246 30.198 52.196 1.379 1.00 21.98 C -ATOM 150 CE LYS A 246 31.557 51.919 0.679 1.00 30.13 C -ATOM 151 NZ LYS A 246 32.791 52.278 1.511 1.00 33.65 N -ATOM 152 N LEU A 247 27.497 48.521 0.084 1.00 8.58 N -ATOM 153 CA LEU A 247 27.939 47.149 0.305 1.00 7.91 C -ATOM 154 C LEU A 247 29.457 47.207 0.431 1.00 8.03 C -ATOM 155 O LEU A 247 30.120 47.702 -0.463 1.00 7.83 O -ATOM 156 CB LEU A 247 27.518 46.298 -0.893 1.00 6.95 C -ATOM 157 CG LEU A 247 26.134 45.654 -0.779 1.00 8.12 C -ATOM 158 CD1 LEU A 247 24.995 46.590 -0.407 1.00 5.65 C -ATOM 159 CD2 LEU A 247 25.843 44.924 -2.094 1.00 4.73 C -ATOM 160 N VAL A 248 30.005 46.723 1.538 1.00 7.84 N -ATOM 161 CA VAL A 248 31.419 46.966 1.853 1.00 8.76 C -ATOM 162 C VAL A 248 32.283 45.702 1.764 1.00 9.59 C -ATOM 163 O VAL A 248 33.343 45.735 1.179 1.00 10.15 O -ATOM 164 CB VAL A 248 31.591 47.651 3.250 1.00 8.56 C -ATOM 165 CG1 VAL A 248 33.090 47.850 3.593 1.00 11.78 C -ATOM 166 CG2 VAL A 248 30.893 48.983 3.255 1.00 6.01 C -ATOM 167 N GLU A 249 31.828 44.586 2.332 1.00 10.08 N -ATOM 168 CA GLU A 249 32.645 43.397 2.365 1.00 10.42 C -ATOM 169 C GLU A 249 31.805 42.149 2.117 1.00 10.26 C -ATOM 170 O GLU A 249 30.787 41.913 2.779 1.00 8.82 O -ATOM 171 CB GLU A 249 33.373 43.290 3.714 1.00 11.06 C -ATOM 172 CG GLU A 249 34.203 41.997 3.825 1.00 13.28 C -ATOM 173 CD GLU A 249 34.702 41.676 5.239 1.00 15.33 C -ATOM 174 OE1 GLU A 249 34.581 42.499 6.188 1.00 15.86 O -ATOM 175 OE2 GLU A 249 35.215 40.559 5.387 1.00 13.80 O -ATOM 176 N ARG A 250 32.268 41.313 1.201 1.00 11.22 N -ATOM 177 CA ARG A 250 31.508 40.140 0.855 1.00 11.29 C -ATOM 178 C ARG A 250 31.779 39.011 1.827 1.00 11.52 C -ATOM 179 O ARG A 250 32.931 38.625 2.024 1.00 11.52 O -ATOM 180 CB ARG A 250 31.770 39.696 -0.574 1.00 11.73 C -ATOM 181 CG ARG A 250 30.668 38.773 -1.056 1.00 14.15 C -ATOM 182 CD ARG A 250 30.855 38.305 -2.468 1.00 21.81 C -ATOM 183 NE ARG A 250 31.767 37.181 -2.519 1.00 24.48 N -ATOM 184 CZ ARG A 250 32.806 37.113 -3.341 1.00 30.91 C -ATOM 185 NH1 ARG A 250 33.034 38.105 -4.197 1.00 30.69 N -ATOM 186 NH2 ARG A 250 33.600 36.044 -3.318 1.00 29.75 N -ATOM 187 N LEU A 251 30.707 38.478 2.422 1.00 10.12 N -ATOM 188 CA LEU A 251 30.815 37.453 3.459 1.00 10.36 C -ATOM 189 C LEU A 251 30.616 36.038 2.915 1.00 12.74 C -ATOM 190 O LEU A 251 31.249 35.090 3.403 1.00 14.00 O -ATOM 191 CB LEU A 251 29.818 37.730 4.592 1.00 9.08 C -ATOM 192 CG LEU A 251 29.959 39.141 5.194 1.00 8.81 C -ATOM 193 CD1 LEU A 251 28.994 39.353 6.333 1.00 9.52 C -ATOM 194 CD2 LEU A 251 31.421 39.461 5.629 1.00 7.55 C -ATOM 195 N GLY A 252 29.735 35.904 1.917 1.00 12.73 N -ATOM 196 CA GLY A 252 29.449 34.618 1.254 1.00 12.81 C -ATOM 197 C GLY A 252 28.935 34.799 -0.174 1.00 12.21 C -ATOM 198 O GLY A 252 28.420 35.869 -0.534 1.00 10.13 O -ATOM 199 N ALA A 253 29.099 33.762 -1.000 1.00 12.69 N -ATOM 200 CA ALA A 253 28.535 33.735 -2.360 1.00 12.86 C -ATOM 201 C ALA A 253 28.172 32.296 -2.670 1.00 13.87 C -ATOM 202 O ALA A 253 28.869 31.358 -2.277 1.00 14.47 O -ATOM 203 CB ALA A 253 29.498 34.326 -3.414 1.00 14.14 C -ATOM 204 N GLY A 254 26.993 32.115 -3.242 1.00 12.93 N -ATOM 205 CA GLY A 254 26.535 30.806 -3.601 1.00 12.21 C -ATOM 206 C GLY A 254 25.753 30.845 -4.893 1.00 12.17 C -ATOM 207 O GLY A 254 25.691 31.872 -5.597 1.00 11.73 O -ATOM 208 N GLN A 255 25.128 29.719 -5.172 1.00 11.79 N -ATOM 209 CA GLN A 255 24.293 29.529 -6.330 1.00 12.73 C -ATOM 210 C GLN A 255 23.204 30.603 -6.447 1.00 13.21 C -ATOM 211 O GLN A 255 22.855 30.992 -7.561 1.00 11.67 O -ATOM 212 CB GLN A 255 23.645 28.138 -6.208 1.00 13.06 C -ATOM 213 CG GLN A 255 23.074 27.579 -7.471 1.00 13.20 C -ATOM 214 CD GLN A 255 22.512 26.193 -7.246 1.00 14.37 C -ATOM 215 OE1 GLN A 255 22.904 25.471 -6.318 1.00 13.55 O -ATOM 216 NE2 GLN A 255 21.567 25.825 -8.075 1.00 14.76 N -ATOM 217 N PHE A 256 22.710 31.098 -5.302 1.00 13.89 N -ATOM 218 CA PHE A 256 21.501 31.953 -5.262 1.00 15.38 C -ATOM 219 C PHE A 256 21.721 33.440 -4.996 1.00 15.76 C -ATOM 220 O PHE A 256 20.778 34.246 -5.070 1.00 15.58 O -ATOM 221 CB PHE A 256 20.480 31.359 -4.291 1.00 14.50 C -ATOM 222 CG PHE A 256 20.120 29.943 -4.641 1.00 17.49 C -ATOM 223 CD1 PHE A 256 19.577 29.653 -5.893 1.00 16.43 C -ATOM 224 CD2 PHE A 256 20.413 28.896 -3.777 1.00 15.93 C -ATOM 225 CE1 PHE A 256 19.262 28.340 -6.242 1.00 19.05 C -ATOM 226 CE2 PHE A 256 20.132 27.584 -4.128 1.00 16.16 C -ATOM 227 CZ PHE A 256 19.538 27.308 -5.344 1.00 18.09 C -ATOM 228 N GLY A 257 22.980 33.794 -4.732 1.00 15.76 N -ATOM 229 CA GLY A 257 23.384 35.177 -4.583 1.00 13.50 C -ATOM 230 C GLY A 257 24.520 35.279 -3.591 1.00 14.02 C -ATOM 231 O GLY A 257 25.205 34.263 -3.294 1.00 12.73 O -ATOM 232 N GLU A 258 24.639 36.487 -3.024 1.00 11.65 N -ATOM 233 CA GLU A 258 25.718 36.853 -2.124 1.00 11.33 C -ATOM 234 C GLU A 258 25.181 37.453 -0.816 1.00 10.11 C -ATOM 235 O GLU A 258 24.005 37.858 -0.719 1.00 7.88 O -ATOM 236 CB GLU A 258 26.668 37.858 -2.807 1.00 11.05 C -ATOM 237 CG GLU A 258 27.246 37.360 -4.168 1.00 14.32 C -ATOM 238 CD GLU A 258 28.104 38.410 -4.887 1.00 20.00 C -ATOM 239 OE1 GLU A 258 27.831 39.620 -4.714 1.00 22.62 O -ATOM 240 OE2 GLU A 258 29.039 38.039 -5.633 1.00 18.20 O -ATOM 241 N VAL A 259 26.051 37.448 0.187 1.00 7.58 N -ATOM 242 CA VAL A 259 25.784 38.102 1.454 1.00 8.07 C -ATOM 243 C VAL A 259 26.936 39.037 1.743 1.00 6.63 C -ATOM 244 O VAL A 259 28.088 38.645 1.630 1.00 5.98 O -ATOM 245 CB VAL A 259 25.635 37.102 2.608 1.00 7.58 C -ATOM 246 CG1 VAL A 259 25.490 37.889 3.947 1.00 8.69 C -ATOM 247 CG2 VAL A 259 24.413 36.172 2.323 1.00 6.98 C -ATOM 248 N TRP A 260 26.600 40.271 2.097 1.00 5.32 N -ATOM 249 CA TRP A 260 27.571 41.341 2.240 1.00 5.17 C -ATOM 250 C TRP A 260 27.401 41.995 3.612 1.00 5.55 C -ATOM 251 O TRP A 260 26.275 42.091 4.100 1.00 5.81 O -ATOM 252 CB TRP A 260 27.291 42.409 1.189 1.00 5.84 C -ATOM 253 CG TRP A 260 27.731 42.043 -0.164 1.00 8.51 C -ATOM 254 CD1 TRP A 260 27.088 41.227 -1.056 1.00 12.24 C -ATOM 255 CD2 TRP A 260 28.925 42.498 -0.814 1.00 9.80 C -ATOM 256 NE1 TRP A 260 27.823 41.148 -2.224 1.00 12.34 N -ATOM 257 CE2 TRP A 260 28.945 41.928 -2.099 1.00 12.98 C -ATOM 258 CE3 TRP A 260 29.944 43.382 -0.451 1.00 11.66 C -ATOM 259 CZ2 TRP A 260 29.972 42.181 -3.012 1.00 16.17 C -ATOM 260 CZ3 TRP A 260 30.975 43.624 -1.354 1.00 15.95 C -ATOM 261 CH2 TRP A 260 30.993 42.999 -2.611 1.00 16.25 C -ATOM 262 N MET A 261 28.503 42.440 4.223 1.00 2.02 N -ATOM 263 CA MET A 261 28.399 43.391 5.315 1.00 2.83 C -ATOM 264 C MET A 261 28.357 44.739 4.641 1.00 2.43 C -ATOM 265 O MET A 261 29.134 44.979 3.710 1.00 3.09 O -ATOM 266 CB MET A 261 29.634 43.316 6.225 1.00 2.00 C -ATOM 267 CG MET A 261 29.628 44.354 7.374 1.00 4.26 C -ATOM 268 SD MET A 261 30.199 46.009 6.957 1.00 9.57 S -ATOM 269 CE MET A 261 31.959 45.729 6.786 1.00 10.40 C -ATOM 270 N GLY A 262 27.464 45.615 5.081 1.00 2.00 N -ATOM 271 CA GLY A 262 27.343 46.932 4.455 1.00 3.38 C -ATOM 272 C GLY A 262 26.821 47.954 5.452 1.00 3.95 C -ATOM 273 O GLY A 262 26.628 47.624 6.635 1.00 3.36 O -ATOM 274 N TYR A 263 26.571 49.179 4.982 1.00 3.81 N -ATOM 275 CA TYR A 263 26.023 50.244 5.846 1.00 4.56 C -ATOM 276 C TYR A 263 24.747 50.852 5.279 1.00 4.53 C -ATOM 277 O TYR A 263 24.645 51.133 4.072 1.00 5.72 O -ATOM 278 CB TYR A 263 27.046 51.374 6.087 1.00 3.63 C -ATOM 279 CG TYR A 263 28.236 50.956 6.922 1.00 7.41 C -ATOM 280 CD1 TYR A 263 28.166 50.968 8.323 1.00 7.22 C -ATOM 281 CD2 TYR A 263 29.413 50.496 6.325 1.00 8.25 C -ATOM 282 CE1 TYR A 263 29.225 50.545 9.099 1.00 8.49 C -ATOM 283 CE2 TYR A 263 30.495 50.048 7.109 1.00 8.34 C -ATOM 284 CZ TYR A 263 30.383 50.071 8.483 1.00 11.86 C -ATOM 285 OH TYR A 263 31.437 49.670 9.276 1.00 12.67 O -ATOM 286 N TYR A 264 23.818 51.148 6.181 1.00 4.55 N -ATOM 287 CA TYR A 264 22.577 51.827 5.827 1.00 3.86 C -ATOM 288 C TYR A 264 22.710 53.255 6.297 1.00 3.20 C -ATOM 289 O TYR A 264 23.038 53.490 7.462 1.00 2.00 O -ATOM 290 CB TYR A 264 21.365 51.149 6.482 1.00 3.92 C -ATOM 291 CG TYR A 264 20.108 51.960 6.327 1.00 3.25 C -ATOM 292 CD1 TYR A 264 19.340 51.868 5.170 1.00 2.00 C -ATOM 293 CD2 TYR A 264 19.721 52.898 7.318 1.00 3.48 C -ATOM 294 CE1 TYR A 264 18.191 52.633 5.006 1.00 2.00 C -ATOM 295 CE2 TYR A 264 18.576 53.683 7.159 1.00 3.07 C -ATOM 296 CZ TYR A 264 17.820 53.541 6.004 1.00 7.23 C -ATOM 297 OH TYR A 264 16.697 54.308 5.842 1.00 8.61 O -ATOM 298 N ASN A 265 22.520 54.194 5.364 1.00 2.00 N -ATOM 299 CA ASN A 265 22.566 55.622 5.651 1.00 2.30 C -ATOM 300 C ASN A 265 23.859 56.033 6.332 1.00 2.00 C -ATOM 301 O ASN A 265 23.835 56.814 7.287 1.00 3.40 O -ATOM 302 CB ASN A 265 21.327 56.114 6.478 1.00 2.45 C -ATOM 303 CG ASN A 265 20.139 56.415 5.604 1.00 4.37 C -ATOM 304 OD1 ASN A 265 19.119 56.971 6.062 1.00 6.01 O -ATOM 305 ND2 ASN A 265 20.250 56.054 4.330 1.00 2.00 N -ATOM 306 N GLY A 266 24.973 55.487 5.856 1.00 2.00 N -ATOM 307 CA GLY A 266 26.313 55.865 6.342 1.00 2.33 C -ATOM 308 C GLY A 266 26.801 55.141 7.575 1.00 2.00 C -ATOM 309 O GLY A 266 27.958 54.791 7.658 1.00 4.13 O -ATOM 310 N HIS A 267 25.931 54.968 8.562 1.00 2.92 N -ATOM 311 CA HIS A 267 26.366 54.674 9.936 1.00 2.23 C -ATOM 312 C HIS A 267 25.965 53.334 10.530 1.00 3.57 C -ATOM 313 O HIS A 267 26.617 52.812 11.452 1.00 2.66 O -ATOM 314 CB HIS A 267 25.861 55.807 10.829 1.00 2.87 C -ATOM 315 CG HIS A 267 26.528 57.118 10.547 1.00 3.61 C -ATOM 316 ND1 HIS A 267 25.833 58.268 10.224 1.00 8.07 N -ATOM 317 CD2 HIS A 267 27.837 57.446 10.517 1.00 2.00 C -ATOM 318 CE1 HIS A 267 26.692 59.255 10.032 1.00 5.81 C -ATOM 319 NE2 HIS A 267 27.915 58.784 10.219 1.00 8.77 N -ATOM 320 N THR A 268 24.921 52.736 9.973 1.00 2.43 N -ATOM 321 CA THR A 268 24.345 51.560 10.582 1.00 2.00 C -ATOM 322 C THR A 268 24.771 50.299 9.846 1.00 2.00 C -ATOM 323 O THR A 268 24.414 50.077 8.720 1.00 2.00 O -ATOM 324 CB THR A 268 22.813 51.735 10.655 1.00 2.70 C -ATOM 325 OG1 THR A 268 22.538 52.927 11.427 1.00 2.00 O -ATOM 326 CG2 THR A 268 22.100 50.483 11.298 1.00 2.00 C -ATOM 327 N LYS A 269 25.536 49.461 10.514 1.00 2.00 N -ATOM 328 CA LYS A 269 26.004 48.234 9.903 1.00 2.00 C -ATOM 329 C LYS A 269 24.898 47.198 9.758 1.00 2.00 C -ATOM 330 O LYS A 269 24.143 46.928 10.713 1.00 2.00 O -ATOM 331 CB LYS A 269 27.165 47.669 10.714 1.00 2.94 C -ATOM 332 CG LYS A 269 28.004 46.648 9.951 1.00 6.09 C -ATOM 333 CD LYS A 269 29.121 46.068 10.852 1.00 12.20 C -ATOM 334 CE LYS A 269 30.261 47.050 11.154 1.00 15.53 C -ATOM 335 NZ LYS A 269 31.466 46.275 11.699 1.00 19.21 N -ATOM 336 N VAL A 270 24.826 46.610 8.567 1.00 2.00 N -ATOM 337 CA VAL A 270 23.745 45.685 8.165 1.00 2.00 C -ATOM 338 C VAL A 270 24.315 44.490 7.388 1.00 2.00 C -ATOM 339 O VAL A 270 25.407 44.599 6.825 1.00 2.00 O -ATOM 340 CB VAL A 270 22.646 46.399 7.305 1.00 2.25 C -ATOM 341 CG1 VAL A 270 21.807 47.340 8.174 1.00 2.00 C -ATOM 342 CG2 VAL A 270 23.275 47.178 6.105 1.00 2.00 C -ATOM 343 N ALA A 271 23.616 43.344 7.404 1.00 2.00 N -ATOM 344 CA ALA A 271 23.912 42.282 6.462 1.00 2.00 C -ATOM 345 C ALA A 271 22.980 42.451 5.256 1.00 2.46 C -ATOM 346 O ALA A 271 21.791 42.697 5.433 1.00 2.00 O -ATOM 347 CB ALA A 271 23.703 40.879 7.121 1.00 3.65 C -ATOM 348 N VAL A 272 23.509 42.308 4.042 1.00 2.00 N -ATOM 349 CA VAL A 272 22.707 42.422 2.806 1.00 3.14 C -ATOM 350 C VAL A 272 22.765 41.120 2.004 1.00 6.27 C -ATOM 351 O VAL A 272 23.836 40.700 1.549 1.00 8.64 O -ATOM 352 CB VAL A 272 23.159 43.601 1.917 1.00 2.00 C -ATOM 353 CG1 VAL A 272 22.293 43.719 0.654 1.00 2.00 C -ATOM 354 CG2 VAL A 272 23.147 44.939 2.702 1.00 2.00 C -ATOM 355 N LYS A 273 21.624 40.455 1.855 1.00 7.22 N -ATOM 356 CA LYS A 273 21.565 39.274 1.011 1.00 6.58 C -ATOM 357 C LYS A 273 20.964 39.616 -0.371 1.00 7.00 C -ATOM 358 O LYS A 273 19.864 40.185 -0.460 1.00 5.34 O -ATOM 359 CB LYS A 273 20.806 38.131 1.706 1.00 7.25 C -ATOM 360 CG LYS A 273 20.671 36.896 0.810 1.00 8.18 C -ATOM 361 CD LYS A 273 20.544 35.585 1.611 1.00 12.88 C -ATOM 362 CE LYS A 273 19.104 35.228 1.938 1.00 17.33 C -ATOM 363 NZ LYS A 273 18.930 33.708 1.927 1.00 18.45 N -ATOM 364 N SER A 274 21.713 39.327 -1.439 1.00 6.59 N -ATOM 365 CA SER A 274 21.262 39.708 -2.784 1.00 7.80 C -ATOM 366 C SER A 274 20.912 38.488 -3.556 1.00 7.11 C -ATOM 367 O SER A 274 21.627 37.481 -3.507 1.00 5.69 O -ATOM 368 CB SER A 274 22.337 40.464 -3.554 1.00 8.47 C -ATOM 369 OG SER A 274 23.494 39.667 -3.668 1.00 13.28 O -ATOM 370 N LEU A 275 19.820 38.593 -4.298 1.00 7.59 N -ATOM 371 CA LEU A 275 19.385 37.517 -5.190 1.00 8.29 C -ATOM 372 C LEU A 275 20.052 37.571 -6.570 1.00 8.79 C -ATOM 373 O LEU A 275 19.885 38.543 -7.325 1.00 7.42 O -ATOM 374 CB LEU A 275 17.873 37.590 -5.361 1.00 8.44 C -ATOM 375 CG LEU A 275 17.225 36.681 -6.411 1.00 7.88 C -ATOM 376 CD1 LEU A 275 17.541 35.238 -6.167 1.00 2.00 C -ATOM 377 CD2 LEU A 275 15.695 36.956 -6.483 1.00 4.41 C -ATOM 378 N LYS A 276 20.711 36.479 -6.938 1.00 10.49 N -ATOM 379 CA LYS A 276 21.251 36.335 -8.306 1.00 13.41 C -ATOM 380 C LYS A 276 20.131 36.115 -9.329 1.00 13.68 C -ATOM 381 O LYS A 276 19.424 35.106 -9.246 1.00 13.85 O -ATOM 382 CB LYS A 276 22.225 35.165 -8.363 1.00 14.14 C -ATOM 383 CG LYS A 276 22.816 34.958 -9.761 1.00 16.54 C -ATOM 384 CD LYS A 276 23.944 33.979 -9.700 1.00 19.85 C -ATOM 385 CE LYS A 276 24.480 33.650 -11.104 1.00 22.34 C -ATOM 386 NZ LYS A 276 25.706 32.825 -10.904 1.00 22.04 N -ATOM 387 N GLN A 277 19.921 37.095 -10.222 1.00 15.51 N -ATOM 388 CA GLN A 277 18.820 37.039 -11.183 1.00 17.78 C -ATOM 389 C GLN A 277 18.839 35.699 -11.873 1.00 17.49 C -ATOM 390 O GLN A 277 19.876 35.266 -12.358 1.00 16.65 O -ATOM 391 CB GLN A 277 18.906 38.105 -12.279 1.00 19.13 C -ATOM 392 CG GLN A 277 18.348 39.461 -11.925 1.00 24.41 C -ATOM 393 CD GLN A 277 19.436 40.468 -11.527 1.00 29.21 C -ATOM 394 OE1 GLN A 277 19.440 41.614 -11.998 1.00 29.64 O -ATOM 395 NE2 GLN A 277 20.377 40.031 -10.678 1.00 30.90 N -ATOM 396 N GLY A 278 17.682 35.051 -11.908 1.00 16.81 N -ATOM 397 CA GLY A 278 17.526 33.854 -12.696 1.00 16.85 C -ATOM 398 C GLY A 278 17.847 32.599 -11.926 1.00 16.16 C -ATOM 399 O GLY A 278 17.415 31.538 -12.332 1.00 16.56 O -ATOM 400 N SER A 279 18.566 32.704 -10.804 1.00 15.35 N -ATOM 401 CA SER A 279 18.940 31.495 -10.044 1.00 14.91 C -ATOM 402 C SER A 279 17.785 30.800 -9.358 1.00 15.23 C -ATOM 403 O SER A 279 17.863 29.604 -9.058 1.00 16.23 O -ATOM 404 CB SER A 279 20.038 31.774 -9.016 1.00 15.41 C -ATOM 405 OG SER A 279 19.554 32.592 -7.955 1.00 16.31 O -ATOM 406 N MET A 280 16.727 31.563 -9.071 1.00 14.24 N -ATOM 407 CA MET A 280 15.577 31.082 -8.327 1.00 11.76 C -ATOM 408 C MET A 280 14.540 32.179 -8.397 1.00 10.56 C -ATOM 409 O MET A 280 14.851 33.310 -8.769 1.00 11.24 O -ATOM 410 CB MET A 280 15.945 30.784 -6.867 1.00 12.64 C -ATOM 411 CG MET A 280 16.237 32.018 -6.002 1.00 13.65 C -ATOM 412 SD MET A 280 16.553 31.628 -4.254 1.00 15.00 S -ATOM 413 CE MET A 280 14.880 31.501 -3.626 1.00 7.00 C -ATOM 414 N SER A 281 13.308 31.837 -8.051 1.00 9.19 N -ATOM 415 CA SER A 281 12.188 32.752 -8.152 1.00 9.00 C -ATOM 416 C SER A 281 12.328 33.953 -7.200 1.00 9.56 C -ATOM 417 O SER A 281 12.584 33.774 -6.018 1.00 8.63 O -ATOM 418 CB SER A 281 10.903 32.000 -7.814 1.00 9.34 C -ATOM 419 OG SER A 281 9.894 32.889 -7.416 1.00 4.45 O -ATOM 420 N PRO A 282 12.154 35.172 -7.711 1.00 8.80 N -ATOM 421 CA PRO A 282 12.145 36.301 -6.789 1.00 8.87 C -ATOM 422 C PRO A 282 11.005 36.231 -5.733 1.00 7.98 C -ATOM 423 O PRO A 282 11.212 36.622 -4.571 1.00 7.19 O -ATOM 424 CB PRO A 282 12.008 37.537 -7.706 1.00 8.10 C -ATOM 425 CG PRO A 282 11.989 37.016 -9.098 1.00 10.74 C -ATOM 426 CD PRO A 282 11.702 35.541 -9.053 1.00 9.62 C -ATOM 427 N ASP A 283 9.851 35.679 -6.097 1.00 7.01 N -ATOM 428 CA ASP A 283 8.755 35.467 -5.123 1.00 6.74 C -ATOM 429 C ASP A 283 9.229 34.529 -4.029 1.00 5.23 C -ATOM 430 O ASP A 283 9.008 34.792 -2.867 1.00 4.05 O -ATOM 431 CB ASP A 283 7.512 34.846 -5.787 1.00 7.26 C -ATOM 432 CG ASP A 283 6.367 34.585 -4.789 1.00 10.15 C -ATOM 433 OD1 ASP A 283 5.855 35.574 -4.242 1.00 12.17 O -ATOM 434 OD2 ASP A 283 5.991 33.397 -4.538 1.00 10.62 O -ATOM 435 N ALA A 284 9.889 33.438 -4.409 1.00 5.34 N -ATOM 436 CA ALA A 284 10.406 32.479 -3.434 1.00 5.75 C -ATOM 437 C ALA A 284 11.480 33.151 -2.586 1.00 5.99 C -ATOM 438 O ALA A 284 11.597 32.869 -1.391 1.00 6.08 O -ATOM 439 CB ALA A 284 11.019 31.228 -4.133 1.00 6.69 C -ATOM 440 N PHE A 285 12.289 34.013 -3.212 1.00 4.77 N -ATOM 441 CA PHE A 285 13.350 34.705 -2.467 1.00 4.21 C -ATOM 442 C PHE A 285 12.740 35.604 -1.384 1.00 3.58 C -ATOM 443 O PHE A 285 13.149 35.546 -0.214 1.00 3.42 O -ATOM 444 CB PHE A 285 14.202 35.533 -3.428 1.00 3.02 C -ATOM 445 CG PHE A 285 15.346 36.270 -2.761 1.00 2.69 C -ATOM 446 CD1 PHE A 285 16.524 35.607 -2.436 1.00 2.00 C -ATOM 447 CD2 PHE A 285 15.236 37.642 -2.480 1.00 2.00 C -ATOM 448 CE1 PHE A 285 17.632 36.330 -1.868 1.00 3.09 C -ATOM 449 CE2 PHE A 285 16.310 38.360 -1.897 1.00 2.36 C -ATOM 450 CZ PHE A 285 17.495 37.703 -1.582 1.00 2.00 C -ATOM 451 N LEU A 286 11.721 36.383 -1.764 1.00 3.74 N -ATOM 452 CA LEU A 286 11.149 37.434 -0.891 1.00 4.70 C -ATOM 453 C LEU A 286 10.238 36.860 0.176 1.00 5.18 C -ATOM 454 O LEU A 286 9.937 37.507 1.178 1.00 7.08 O -ATOM 455 CB LEU A 286 10.409 38.529 -1.718 1.00 4.14 C -ATOM 456 CG LEU A 286 11.342 39.450 -2.522 1.00 4.33 C -ATOM 457 CD1 LEU A 286 10.568 40.410 -3.378 1.00 4.64 C -ATOM 458 CD2 LEU A 286 12.232 40.271 -1.543 1.00 4.87 C -ATOM 459 N ALA A 287 9.757 35.657 -0.063 1.00 4.95 N -ATOM 460 CA ALA A 287 8.940 34.954 0.913 1.00 4.72 C -ATOM 461 C ALA A 287 9.591 34.819 2.319 1.00 4.56 C -ATOM 462 O ALA A 287 8.898 34.753 3.346 1.00 5.32 O -ATOM 463 CB ALA A 287 8.542 33.545 0.332 1.00 5.11 C -ATOM 464 N GLU A 288 10.906 34.719 2.352 1.00 4.35 N -ATOM 465 CA GLU A 288 11.658 34.675 3.602 1.00 5.53 C -ATOM 466 C GLU A 288 11.513 36.020 4.329 1.00 5.34 C -ATOM 467 O GLU A 288 11.221 36.059 5.529 1.00 3.14 O -ATOM 468 CB GLU A 288 13.160 34.386 3.336 1.00 5.31 C -ATOM 469 CG GLU A 288 13.980 34.440 4.627 1.00 8.54 C -ATOM 470 CD GLU A 288 15.419 34.033 4.454 1.00 10.17 C -ATOM 471 OE1 GLU A 288 15.896 33.924 3.306 1.00 10.89 O -ATOM 472 OE2 GLU A 288 16.065 33.797 5.494 1.00 14.80 O -ATOM 473 N ALA A 289 11.651 37.127 3.598 1.00 5.38 N -ATOM 474 CA ALA A 289 11.429 38.436 4.258 1.00 5.14 C -ATOM 475 C ALA A 289 9.988 38.667 4.770 1.00 4.66 C -ATOM 476 O ALA A 289 9.789 39.263 5.841 1.00 2.00 O -ATOM 477 CB ALA A 289 11.896 39.619 3.379 1.00 5.40 C -ATOM 478 N ASN A 290 8.979 38.254 3.997 1.00 5.10 N -ATOM 479 CA ASN A 290 7.580 38.413 4.444 1.00 6.11 C -ATOM 480 C ASN A 290 7.332 37.637 5.739 1.00 6.25 C -ATOM 481 O ASN A 290 6.658 38.116 6.653 1.00 7.86 O -ATOM 482 CB ASN A 290 6.617 37.945 3.337 1.00 6.77 C -ATOM 483 CG ASN A 290 6.718 38.810 2.075 1.00 11.41 C -ATOM 484 OD1 ASN A 290 6.983 40.030 2.140 1.00 10.54 O -ATOM 485 ND2 ASN A 290 6.513 38.184 0.923 1.00 11.39 N -ATOM 486 N LEU A 291 7.908 36.449 5.835 1.00 5.25 N -ATOM 487 CA LEU A 291 7.793 35.673 7.062 1.00 7.53 C -ATOM 488 C LEU A 291 8.484 36.400 8.242 1.00 8.21 C -ATOM 489 O LEU A 291 7.936 36.440 9.347 1.00 7.83 O -ATOM 490 CB LEU A 291 8.343 34.233 6.853 1.00 7.23 C -ATOM 491 CG LEU A 291 8.180 33.310 8.090 1.00 9.45 C -ATOM 492 CD1 LEU A 291 8.021 31.818 7.731 1.00 8.18 C -ATOM 493 CD2 LEU A 291 9.357 33.532 9.037 1.00 10.24 C -ATOM 494 N MET A 292 9.689 36.957 8.019 1.00 7.06 N -ATOM 495 CA MET A 292 10.378 37.685 9.104 1.00 7.17 C -ATOM 496 C MET A 292 9.583 38.930 9.563 1.00 8.67 C -ATOM 497 O MET A 292 9.707 39.348 10.703 1.00 8.75 O -ATOM 498 CB MET A 292 11.781 38.092 8.695 1.00 5.16 C -ATOM 499 CG MET A 292 12.641 36.912 8.275 1.00 5.28 C -ATOM 500 SD MET A 292 14.261 37.399 7.672 1.00 5.92 S -ATOM 501 CE MET A 292 15.094 37.974 9.155 1.00 3.59 C -ATOM 502 N LYS A 293 8.789 39.516 8.679 1.00 9.65 N -ATOM 503 CA LYS A 293 7.901 40.621 9.066 1.00 13.48 C -ATOM 504 C LYS A 293 6.963 40.183 10.177 1.00 14.57 C -ATOM 505 O LYS A 293 6.579 41.008 11.005 1.00 17.96 O -ATOM 506 CB LYS A 293 7.072 41.155 7.883 1.00 12.73 C -ATOM 507 CG LYS A 293 7.872 41.945 6.860 1.00 13.88 C -ATOM 508 CD LYS A 293 7.097 42.223 5.549 1.00 12.33 C -ATOM 509 CE LYS A 293 8.118 42.671 4.466 1.00 14.61 C -ATOM 510 NZ LYS A 293 7.499 43.191 3.182 1.00 13.89 N -ATOM 511 N GLN A 294 6.627 38.892 10.194 1.00 15.39 N -ATOM 512 CA GLN A 294 5.668 38.296 11.131 1.00 16.38 C -ATOM 513 C GLN A 294 6.280 37.740 12.392 1.00 15.19 C -ATOM 514 O GLN A 294 5.563 37.273 13.262 1.00 16.54 O -ATOM 515 CB GLN A 294 4.961 37.111 10.455 1.00 17.19 C -ATOM 516 CG GLN A 294 4.073 37.520 9.336 1.00 20.28 C -ATOM 517 CD GLN A 294 3.155 38.610 9.772 1.00 25.03 C -ATOM 518 OE1 GLN A 294 2.485 38.499 10.805 1.00 30.93 O -ATOM 519 NE2 GLN A 294 3.128 39.691 9.014 1.00 28.46 N -ATOM 520 N LEU A 295 7.602 37.710 12.462 1.00 12.75 N -ATOM 521 CA LEU A 295 8.282 37.002 13.522 1.00 10.21 C -ATOM 522 C LEU A 295 9.374 37.841 14.105 1.00 9.10 C -ATOM 523 O LEU A 295 10.542 37.580 13.847 1.00 10.19 O -ATOM 524 CB LEU A 295 8.920 35.724 12.988 1.00 10.76 C -ATOM 525 CG LEU A 295 8.171 34.399 13.063 1.00 10.58 C -ATOM 526 CD1 LEU A 295 9.046 33.260 12.532 1.00 12.86 C -ATOM 527 CD2 LEU A 295 7.694 34.126 14.471 1.00 8.68 C -ATOM 528 N GLN A 296 9.014 38.827 14.911 1.00 7.08 N -ATOM 529 CA GLN A 296 9.984 39.798 15.379 1.00 7.36 C -ATOM 530 C GLN A 296 10.234 39.554 16.852 1.00 6.41 C -ATOM 531 O GLN A 296 9.264 39.532 17.643 1.00 6.50 O -ATOM 532 CB GLN A 296 9.457 41.219 15.140 1.00 6.99 C -ATOM 533 CG GLN A 296 9.250 41.539 13.706 1.00 10.92 C -ATOM 534 CD GLN A 296 8.694 42.941 13.525 1.00 15.36 C -ATOM 535 OE1 GLN A 296 9.257 43.901 14.032 1.00 16.71 O -ATOM 536 NE2 GLN A 296 7.568 43.051 12.836 1.00 10.08 N -ATOM 537 N HIS A 297 11.507 39.401 17.243 1.00 3.66 N -ATOM 538 CA HIS A 297 11.831 39.090 18.648 1.00 2.39 C -ATOM 539 C HIS A 297 13.301 39.348 18.833 1.00 2.41 C -ATOM 540 O HIS A 297 14.042 39.180 17.872 1.00 2.00 O -ATOM 541 CB HIS A 297 11.538 37.600 18.938 1.00 2.00 C -ATOM 542 CG HIS A 297 11.529 37.266 20.400 1.00 4.24 C -ATOM 543 ND1 HIS A 297 12.681 36.991 21.109 1.00 2.00 N -ATOM 544 CD2 HIS A 297 10.509 37.228 21.299 1.00 2.00 C -ATOM 545 CE1 HIS A 297 12.365 36.766 22.376 1.00 5.63 C -ATOM 546 NE2 HIS A 297 11.053 36.899 22.516 1.00 2.00 N -ATOM 547 N GLN A 298 13.736 39.716 20.050 1.00 3.01 N -ATOM 548 CA GLN A 298 15.175 39.912 20.311 1.00 4.23 C -ATOM 549 C GLN A 298 16.009 38.717 19.939 1.00 2.97 C -ATOM 550 O GLN A 298 17.160 38.883 19.594 1.00 2.00 O -ATOM 551 CB GLN A 298 15.547 40.223 21.782 1.00 4.78 C -ATOM 552 CG GLN A 298 15.215 41.564 22.339 1.00 3.80 C -ATOM 553 CD GLN A 298 15.754 42.741 21.577 1.00 2.00 C -ATOM 554 OE1 GLN A 298 14.986 43.629 21.227 1.00 5.21 O -ATOM 555 NE2 GLN A 298 17.073 42.815 21.395 1.00 2.94 N -ATOM 556 N ARG A 299 15.451 37.515 20.109 1.00 3.70 N -ATOM 557 CA ARG A 299 16.217 36.277 19.918 1.00 3.21 C -ATOM 558 C ARG A 299 16.204 35.789 18.470 1.00 3.37 C -ATOM 559 O ARG A 299 16.793 34.744 18.174 1.00 2.59 O -ATOM 560 CB ARG A 299 15.716 35.156 20.857 1.00 2.58 C -ATOM 561 CG ARG A 299 15.847 35.478 22.343 1.00 2.00 C -ATOM 562 CD ARG A 299 17.219 35.136 22.935 1.00 2.00 C -ATOM 563 NE ARG A 299 18.375 35.682 22.202 1.00 2.00 N -ATOM 564 CZ ARG A 299 18.909 36.899 22.391 1.00 3.29 C -ATOM 565 NH1 ARG A 299 18.361 37.769 23.232 1.00 2.00 N -ATOM 566 NH2 ARG A 299 19.992 37.262 21.693 1.00 3.18 N -ATOM 567 N LEU A 300 15.503 36.513 17.586 1.00 2.00 N -ATOM 568 CA LEU A 300 15.508 36.193 16.172 1.00 2.00 C -ATOM 569 C LEU A 300 16.172 37.302 15.360 1.00 2.10 C -ATOM 570 O LEU A 300 15.889 38.484 15.578 1.00 2.00 O -ATOM 571 CB LEU A 300 14.095 35.938 15.630 1.00 2.00 C -ATOM 572 CG LEU A 300 13.415 34.588 15.936 1.00 2.72 C -ATOM 573 CD1 LEU A 300 13.538 34.244 17.444 1.00 2.00 C -ATOM 574 CD2 LEU A 300 11.928 34.639 15.492 1.00 2.00 C -ATOM 575 N VAL A 301 17.040 36.907 14.425 1.00 2.00 N -ATOM 576 CA VAL A 301 17.638 37.859 13.480 1.00 2.00 C -ATOM 577 C VAL A 301 16.545 38.720 12.818 1.00 2.00 C -ATOM 578 O VAL A 301 15.587 38.192 12.279 1.00 2.00 O -ATOM 579 CB VAL A 301 18.625 37.165 12.457 1.00 2.00 C -ATOM 580 CG1 VAL A 301 19.107 38.167 11.398 1.00 2.22 C -ATOM 581 CG2 VAL A 301 19.838 36.600 13.201 1.00 2.00 C -ATOM 582 N ARG A 302 16.666 40.043 12.972 1.00 2.00 N -ATOM 583 CA ARG A 302 15.606 40.973 12.638 1.00 2.00 C -ATOM 584 C ARG A 302 15.702 41.450 11.187 1.00 2.00 C -ATOM 585 O ARG A 302 16.779 41.853 10.729 1.00 2.00 O -ATOM 586 CB ARG A 302 15.609 42.182 13.575 1.00 2.00 C -ATOM 587 CG ARG A 302 14.441 43.184 13.360 1.00 2.00 C -ATOM 588 CD ARG A 302 14.696 44.477 14.147 1.00 2.71 C -ATOM 589 NE ARG A 302 13.715 45.546 13.866 1.00 6.83 N -ATOM 590 CZ ARG A 302 13.871 46.494 12.935 1.00 4.83 C -ATOM 591 NH1 ARG A 302 14.986 46.560 12.195 1.00 2.61 N -ATOM 592 NH2 ARG A 302 12.924 47.417 12.790 1.00 8.13 N -ATOM 593 N LEU A 303 14.557 41.438 10.488 1.00 2.00 N -ATOM 594 CA LEU A 303 14.519 42.039 9.154 1.00 2.00 C -ATOM 595 C LEU A 303 14.704 43.547 9.287 1.00 2.44 C -ATOM 596 O LEU A 303 13.999 44.220 10.071 1.00 2.00 O -ATOM 597 CB LEU A 303 13.184 41.744 8.452 1.00 2.23 C -ATOM 598 CG LEU A 303 13.006 42.360 7.050 1.00 2.00 C -ATOM 599 CD1 LEU A 303 14.027 41.756 6.070 1.00 2.00 C -ATOM 600 CD2 LEU A 303 11.588 42.166 6.575 1.00 2.00 C -ATOM 601 N TYR A 304 15.657 44.071 8.530 1.00 2.00 N -ATOM 602 CA TYR A 304 15.934 45.501 8.514 1.00 2.69 C -ATOM 603 C TYR A 304 15.206 46.270 7.369 1.00 3.60 C -ATOM 604 O TYR A 304 14.661 47.356 7.579 1.00 2.00 O -ATOM 605 CB TYR A 304 17.453 45.709 8.432 1.00 3.49 C -ATOM 606 CG TYR A 304 17.872 47.116 8.755 1.00 6.80 C -ATOM 607 CD1 TYR A 304 17.678 48.149 7.825 1.00 9.32 C -ATOM 608 CD2 TYR A 304 18.471 47.422 9.980 1.00 10.28 C -ATOM 609 CE1 TYR A 304 18.023 49.449 8.118 1.00 8.21 C -ATOM 610 CE2 TYR A 304 18.832 48.728 10.284 1.00 6.06 C -ATOM 611 CZ TYR A 304 18.606 49.731 9.361 1.00 8.96 C -ATOM 612 OH TYR A 304 18.974 51.026 9.647 1.00 7.46 O -ATOM 613 N ALA A 305 15.273 45.741 6.152 1.00 2.00 N -ATOM 614 CA ALA A 305 14.654 46.399 5.005 1.00 2.66 C -ATOM 615 C ALA A 305 14.684 45.458 3.830 1.00 2.00 C -ATOM 616 O ALA A 305 15.279 44.415 3.914 1.00 2.41 O -ATOM 617 CB ALA A 305 15.375 47.727 4.644 1.00 2.00 C -ATOM 618 N VAL A 306 14.010 45.822 2.753 1.00 2.14 N -ATOM 619 CA VAL A 306 14.055 45.066 1.487 1.00 2.86 C -ATOM 620 C VAL A 306 14.199 46.134 0.397 1.00 3.80 C -ATOM 621 O VAL A 306 13.777 47.292 0.598 1.00 2.95 O -ATOM 622 CB VAL A 306 12.731 44.251 1.245 1.00 2.00 C -ATOM 623 CG1 VAL A 306 12.590 43.098 2.303 1.00 3.98 C -ATOM 624 CG2 VAL A 306 11.531 45.136 1.411 1.00 2.81 C -ATOM 625 N VAL A 307 14.780 45.727 -0.732 1.00 3.28 N -ATOM 626 CA VAL A 307 14.723 46.451 -1.997 1.00 4.09 C -ATOM 627 C VAL A 307 14.055 45.452 -2.974 1.00 5.15 C -ATOM 628 O VAL A 307 14.599 44.396 -3.258 1.00 3.92 O -ATOM 629 CB VAL A 307 16.156 46.817 -2.484 1.00 3.28 C -ATOM 630 CG1 VAL A 307 16.126 47.630 -3.804 1.00 3.60 C -ATOM 631 CG2 VAL A 307 16.887 47.640 -1.394 1.00 4.67 C -ATOM 632 N THR A 308 12.852 45.752 -3.443 1.00 6.07 N -ATOM 633 CA THR A 308 12.123 44.740 -4.187 1.00 8.09 C -ATOM 634 C THR A 308 12.192 44.897 -5.710 1.00 10.91 C -ATOM 635 O THR A 308 11.337 44.385 -6.441 1.00 12.67 O -ATOM 636 CB THR A 308 10.662 44.580 -3.693 1.00 8.78 C -ATOM 637 OG1 THR A 308 9.931 45.777 -3.943 1.00 8.89 O -ATOM 638 CG2 THR A 308 10.598 44.229 -2.154 1.00 7.01 C -ATOM 639 N GLN A 309 13.162 45.657 -6.189 1.00 13.36 N -ATOM 640 CA GLN A 309 13.428 45.713 -7.633 1.00 15.48 C -ATOM 641 C GLN A 309 14.816 45.141 -7.898 1.00 13.57 C -ATOM 642 O GLN A 309 15.682 45.167 -7.030 1.00 13.30 O -ATOM 643 CB GLN A 309 13.222 47.120 -8.205 1.00 17.07 C -ATOM 644 CG GLN A 309 14.268 48.142 -7.800 1.00 23.76 C -ATOM 645 CD GLN A 309 14.202 49.454 -8.622 1.00 32.63 C -ATOM 646 OE1 GLN A 309 14.851 50.460 -8.266 1.00 34.37 O -ATOM 647 NE2 GLN A 309 13.430 49.443 -9.721 1.00 34.65 N -ATOM 648 N GLU A 310 14.999 44.520 -9.044 1.00 13.02 N -ATOM 649 CA GLU A 310 16.218 43.748 -9.291 1.00 14.14 C -ATOM 650 C GLU A 310 17.460 44.612 -9.375 1.00 13.10 C -ATOM 651 O GLU A 310 17.409 45.682 -9.972 1.00 13.74 O -ATOM 652 CB GLU A 310 16.051 42.883 -10.542 1.00 14.89 C -ATOM 653 CG GLU A 310 14.944 41.836 -10.336 1.00 19.19 C -ATOM 654 CD GLU A 310 14.805 40.818 -11.470 1.00 27.31 C -ATOM 655 OE1 GLU A 310 15.363 41.046 -12.580 1.00 28.91 O -ATOM 656 OE2 GLU A 310 14.107 39.793 -11.237 1.00 28.58 O -ATOM 657 N PRO A 311 18.572 44.177 -8.756 1.00 11.74 N -ATOM 658 CA PRO A 311 18.733 42.962 -7.951 1.00 11.48 C -ATOM 659 C PRO A 311 18.087 43.094 -6.553 1.00 9.90 C -ATOM 660 O PRO A 311 18.330 44.036 -5.827 1.00 10.00 O -ATOM 661 CB PRO A 311 20.254 42.791 -7.845 1.00 12.20 C -ATOM 662 CG PRO A 311 20.851 44.142 -8.235 1.00 12.96 C -ATOM 663 CD PRO A 311 19.758 45.044 -8.718 1.00 12.98 C -ATOM 664 N ILE A 312 17.228 42.152 -6.229 1.00 9.27 N -ATOM 665 CA ILE A 312 16.462 42.140 -4.985 1.00 7.14 C -ATOM 666 C ILE A 312 17.398 41.981 -3.779 1.00 6.06 C -ATOM 667 O ILE A 312 18.334 41.153 -3.803 1.00 2.47 O -ATOM 668 CB ILE A 312 15.386 40.993 -5.067 1.00 7.01 C -ATOM 669 CG1 ILE A 312 14.413 41.315 -6.235 1.00 10.09 C -ATOM 670 CG2 ILE A 312 14.597 40.893 -3.778 1.00 7.36 C -ATOM 671 CD1 ILE A 312 13.554 40.177 -6.642 1.00 7.70 C -ATOM 672 N TYR A 313 17.201 42.827 -2.754 1.00 4.58 N -ATOM 673 CA TYR A 313 17.994 42.699 -1.506 1.00 3.07 C -ATOM 674 C TYR A 313 17.077 42.373 -0.317 1.00 2.23 C -ATOM 675 O TYR A 313 15.989 42.904 -0.221 1.00 2.00 O -ATOM 676 CB TYR A 313 18.731 43.996 -1.162 1.00 3.12 C -ATOM 677 CG TYR A 313 19.872 44.450 -2.064 1.00 4.78 C -ATOM 678 CD1 TYR A 313 20.542 43.577 -2.903 1.00 7.42 C -ATOM 679 CD2 TYR A 313 20.322 45.763 -2.004 1.00 6.97 C -ATOM 680 CE1 TYR A 313 21.597 44.023 -3.731 1.00 5.98 C -ATOM 681 CE2 TYR A 313 21.387 46.199 -2.792 1.00 9.73 C -ATOM 682 CZ TYR A 313 21.994 45.326 -3.668 1.00 9.96 C -ATOM 683 OH TYR A 313 23.018 45.775 -4.446 1.00 10.12 O -ATOM 684 N ILE A 314 17.507 41.469 0.551 1.00 2.34 N -ATOM 685 CA ILE A 314 16.918 41.308 1.873 1.00 2.19 C -ATOM 686 C ILE A 314 17.984 41.828 2.849 1.00 2.84 C -ATOM 687 O ILE A 314 19.129 41.324 2.879 1.00 3.55 O -ATOM 688 CB ILE A 314 16.585 39.827 2.207 1.00 2.00 C -ATOM 689 CG1 ILE A 314 15.418 39.345 1.337 1.00 3.46 C -ATOM 690 CG2 ILE A 314 16.179 39.660 3.695 1.00 2.00 C -ATOM 691 CD1 ILE A 314 15.118 37.799 1.461 1.00 2.00 C -ATOM 692 N ILE A 315 17.622 42.834 3.635 1.00 2.01 N -ATOM 693 CA ILE A 315 18.596 43.467 4.509 1.00 2.00 C -ATOM 694 C ILE A 315 18.235 43.086 5.940 1.00 2.06 C -ATOM 695 O ILE A 315 17.065 43.211 6.325 1.00 2.00 O -ATOM 696 CB ILE A 315 18.653 45.020 4.332 1.00 2.00 C -ATOM 697 CG1 ILE A 315 18.972 45.429 2.873 1.00 2.00 C -ATOM 698 CG2 ILE A 315 19.769 45.619 5.270 1.00 2.00 C -ATOM 699 CD1 ILE A 315 17.736 45.661 1.970 1.00 2.00 C -ATOM 700 N THR A 316 19.205 42.565 6.707 1.00 2.00 N -ATOM 701 CA THR A 316 18.906 42.101 8.074 1.00 2.00 C -ATOM 702 C THR A 316 19.916 42.653 9.097 1.00 2.87 C -ATOM 703 O THR A 316 20.916 43.274 8.745 1.00 2.20 O -ATOM 704 CB THR A 316 18.847 40.528 8.153 1.00 3.73 C -ATOM 705 OG1 THR A 316 20.132 40.000 7.815 1.00 2.03 O -ATOM 706 CG2 THR A 316 17.807 39.959 7.173 1.00 2.00 C -ATOM 707 N GLU A 317 19.552 42.551 10.364 1.00 2.67 N -ATOM 708 CA GLU A 317 20.465 42.690 11.497 1.00 2.29 C -ATOM 709 C GLU A 317 21.827 42.016 11.296 1.00 2.00 C -ATOM 710 O GLU A 317 21.907 40.772 11.141 1.00 2.00 O -ATOM 711 CB GLU A 317 19.795 42.025 12.701 1.00 2.00 C -ATOM 712 CG GLU A 317 20.458 42.287 14.052 1.00 2.00 C -ATOM 713 CD GLU A 317 19.532 41.909 15.244 1.00 2.77 C -ATOM 714 OE1 GLU A 317 18.589 41.097 15.032 1.00 2.00 O -ATOM 715 OE2 GLU A 317 19.729 42.458 16.372 1.00 2.00 O -ATOM 716 N TYR A 318 22.885 42.802 11.469 1.00 2.00 N -ATOM 717 CA TYR A 318 24.248 42.289 11.340 1.00 2.00 C -ATOM 718 C TYR A 318 24.678 41.618 12.659 1.00 2.00 C -ATOM 719 O TYR A 318 24.398 42.132 13.758 1.00 2.00 O -ATOM 720 CB TYR A 318 25.227 43.385 10.884 1.00 2.00 C -ATOM 721 CG TYR A 318 26.643 42.873 10.615 1.00 7.17 C -ATOM 722 CD1 TYR A 318 26.918 42.064 9.511 1.00 9.13 C -ATOM 723 CD2 TYR A 318 27.680 43.150 11.499 1.00 9.41 C -ATOM 724 CE1 TYR A 318 28.204 41.546 9.295 1.00 15.72 C -ATOM 725 CE2 TYR A 318 28.965 42.640 11.289 1.00 12.11 C -ATOM 726 CZ TYR A 318 29.233 41.852 10.187 1.00 14.69 C -ATOM 727 OH TYR A 318 30.529 41.338 9.985 1.00 19.20 O -ATOM 728 N MET A 319 25.270 40.439 12.556 1.00 2.00 N -ATOM 729 CA MET A 319 25.677 39.680 13.744 1.00 2.66 C -ATOM 730 C MET A 319 27.215 39.528 13.693 1.00 3.47 C -ATOM 731 O MET A 319 27.770 38.822 12.862 1.00 3.70 O -ATOM 732 CB MET A 319 24.936 38.323 13.779 1.00 2.55 C -ATOM 733 CG MET A 319 23.372 38.428 13.836 1.00 2.00 C -ATOM 734 SD MET A 319 22.784 39.230 15.342 1.00 2.00 S -ATOM 735 CE MET A 319 23.354 38.052 16.557 1.00 2.00 C -ATOM 736 N GLU A 320 27.898 40.221 14.581 1.00 4.51 N -ATOM 737 CA GLU A 320 29.305 40.466 14.412 1.00 6.92 C -ATOM 738 C GLU A 320 30.169 39.218 14.479 1.00 6.20 C -ATOM 739 O GLU A 320 31.250 39.220 13.923 1.00 7.17 O -ATOM 740 CB GLU A 320 29.785 41.496 15.434 1.00 6.66 C -ATOM 741 CG GLU A 320 31.152 42.074 15.116 1.00 17.95 C -ATOM 742 CD GLU A 320 31.126 43.270 14.138 1.00 26.97 C -ATOM 743 OE1 GLU A 320 31.948 43.270 13.196 1.00 28.95 O -ATOM 744 OE2 GLU A 320 30.328 44.228 14.342 1.00 31.65 O -ATOM 745 N ASN A 321 29.722 38.170 15.172 1.00 3.77 N -ATOM 746 CA ASN A 321 30.540 36.976 15.328 1.00 3.34 C -ATOM 747 C ASN A 321 30.166 35.821 14.413 1.00 3.64 C -ATOM 748 O ASN A 321 30.658 34.701 14.565 1.00 4.66 O -ATOM 749 CB ASN A 321 30.634 36.564 16.800 1.00 2.06 C -ATOM 750 CG ASN A 321 31.727 37.323 17.519 1.00 5.14 C -ATOM 751 OD1 ASN A 321 32.817 37.524 16.968 1.00 3.99 O -ATOM 752 ND2 ASN A 321 31.442 37.781 18.713 1.00 4.10 N -ATOM 753 N GLY A 322 29.312 36.110 13.445 1.00 2.97 N -ATOM 754 CA GLY A 322 29.006 35.153 12.372 1.00 3.32 C -ATOM 755 C GLY A 322 28.193 33.959 12.808 1.00 2.12 C -ATOM 756 O GLY A 322 27.429 34.055 13.772 1.00 2.00 O -ATOM 757 N SER A 323 28.325 32.832 12.106 1.00 2.00 N -ATOM 758 CA SER A 323 27.554 31.665 12.522 1.00 2.00 C -ATOM 759 C SER A 323 28.139 30.967 13.765 1.00 2.01 C -ATOM 760 O SER A 323 29.365 30.938 13.945 1.00 2.00 O -ATOM 761 CB SER A 323 27.373 30.674 11.381 1.00 2.04 C -ATOM 762 OG SER A 323 28.457 29.779 11.341 1.00 8.15 O -ATOM 763 N LEU A 324 27.272 30.365 14.577 1.00 2.00 N -ATOM 764 CA LEU A 324 27.710 29.701 15.794 1.00 2.91 C -ATOM 765 C LEU A 324 28.718 28.610 15.459 1.00 3.55 C -ATOM 766 O LEU A 324 29.731 28.481 16.133 1.00 5.01 O -ATOM 767 CB LEU A 324 26.526 29.087 16.558 1.00 2.01 C -ATOM 768 CG LEU A 324 26.862 28.374 17.878 1.00 2.00 C -ATOM 769 CD1 LEU A 324 27.482 29.326 18.913 1.00 2.00 C -ATOM 770 CD2 LEU A 324 25.577 27.745 18.430 1.00 6.63 C -ATOM 771 N VAL A 325 28.418 27.810 14.441 1.00 4.21 N -ATOM 772 CA VAL A 325 29.314 26.738 14.044 1.00 5.02 C -ATOM 773 C VAL A 325 30.763 27.207 13.769 1.00 4.81 C -ATOM 774 O VAL A 325 31.726 26.493 14.096 1.00 5.18 O -ATOM 775 CB VAL A 325 28.700 25.838 12.900 1.00 4.44 C -ATOM 776 CG1 VAL A 325 28.844 26.468 11.543 1.00 4.29 C -ATOM 777 CG2 VAL A 325 29.369 24.488 12.904 1.00 8.42 C -ATOM 778 N ASP A 326 30.915 28.392 13.160 1.00 4.38 N -ATOM 779 CA ASP A 326 32.247 28.979 12.896 1.00 3.90 C -ATOM 780 C ASP A 326 32.806 29.613 14.159 1.00 3.26 C -ATOM 781 O ASP A 326 33.998 29.446 14.501 1.00 2.00 O -ATOM 782 CB ASP A 326 32.249 30.006 11.740 1.00 3.27 C -ATOM 783 CG ASP A 326 31.778 29.410 10.422 1.00 4.24 C -ATOM 784 OD1 ASP A 326 32.035 28.233 10.172 1.00 7.09 O -ATOM 785 OD2 ASP A 326 31.111 30.104 9.648 1.00 4.26 O -ATOM 786 N PHE A 327 31.935 30.272 14.911 1.00 2.15 N -ATOM 787 CA PHE A 327 32.445 31.020 16.042 1.00 3.03 C -ATOM 788 C PHE A 327 33.094 30.115 17.134 1.00 2.43 C -ATOM 789 O PHE A 327 34.091 30.487 17.752 1.00 2.14 O -ATOM 790 CB PHE A 327 31.336 31.880 16.654 1.00 2.00 C -ATOM 791 CG PHE A 327 31.765 32.552 17.914 1.00 2.42 C -ATOM 792 CD1 PHE A 327 32.666 33.585 17.879 1.00 2.00 C -ATOM 793 CD2 PHE A 327 31.303 32.112 19.143 1.00 2.68 C -ATOM 794 CE1 PHE A 327 33.122 34.183 19.048 1.00 4.24 C -ATOM 795 CE2 PHE A 327 31.748 32.707 20.300 1.00 4.30 C -ATOM 796 CZ PHE A 327 32.667 33.739 20.254 1.00 4.34 C -ATOM 797 N LEU A 328 32.525 28.932 17.339 1.00 2.00 N -ATOM 798 CA LEU A 328 32.980 28.002 18.397 1.00 2.78 C -ATOM 799 C LEU A 328 34.365 27.414 18.082 1.00 3.41 C -ATOM 800 O LEU A 328 34.990 26.772 18.921 1.00 4.05 O -ATOM 801 CB LEU A 328 31.966 26.856 18.531 1.00 2.56 C -ATOM 802 CG LEU A 328 30.689 27.247 19.270 1.00 2.00 C -ATOM 803 CD1 LEU A 328 29.800 26.108 19.473 1.00 3.00 C -ATOM 804 CD2 LEU A 328 31.025 27.873 20.625 1.00 4.58 C -ATOM 805 N LYS A 329 34.843 27.657 16.875 1.00 3.49 N -ATOM 806 CA LYS A 329 36.151 27.185 16.461 1.00 5.54 C -ATOM 807 C LYS A 329 37.215 28.249 16.521 1.00 5.67 C -ATOM 808 O LYS A 329 38.392 27.948 16.356 1.00 7.46 O -ATOM 809 CB LYS A 329 36.064 26.688 15.027 1.00 6.82 C -ATOM 810 CG LYS A 329 35.141 25.491 14.887 1.00 8.72 C -ATOM 811 CD LYS A 329 35.268 24.884 13.495 1.00 11.53 C -ATOM 812 CE LYS A 329 34.179 23.846 13.271 1.00 13.23 C -ATOM 813 NZ LYS A 329 33.895 23.841 11.812 1.00 16.43 N -ATOM 814 N THR A 330 36.810 29.500 16.685 1.00 4.52 N -ATOM 815 CA THR A 330 37.757 30.594 16.674 1.00 3.76 C -ATOM 816 C THR A 330 38.443 30.544 18.039 1.00 3.78 C -ATOM 817 O THR A 330 37.925 29.912 18.975 1.00 3.81 O -ATOM 818 CB THR A 330 37.056 31.970 16.557 1.00 2.04 C -ATOM 819 OG1 THR A 330 36.229 32.182 17.684 1.00 5.06 O -ATOM 820 CG2 THR A 330 36.181 32.075 15.336 1.00 5.90 C -ATOM 821 N PRO A 331 39.569 31.262 18.192 1.00 3.53 N -ATOM 822 CA PRO A 331 40.241 31.341 19.509 1.00 4.34 C -ATOM 823 C PRO A 331 39.310 31.814 20.679 1.00 6.23 C -ATOM 824 O PRO A 331 39.329 31.207 21.761 1.00 5.49 O -ATOM 825 CB PRO A 331 41.354 32.362 19.239 1.00 4.44 C -ATOM 826 CG PRO A 331 41.738 32.043 17.830 1.00 2.00 C -ATOM 827 CD PRO A 331 40.377 31.921 17.144 1.00 2.67 C -ATOM 828 N SER A 332 38.510 32.858 20.462 1.00 6.60 N -ATOM 829 CA SER A 332 37.469 33.249 21.441 1.00 9.13 C -ATOM 830 C SER A 332 36.519 32.104 21.701 1.00 9.84 C -ATOM 831 O SER A 332 36.293 31.753 22.855 1.00 12.32 O -ATOM 832 CB SER A 332 36.630 34.423 20.953 1.00 8.68 C -ATOM 833 OG SER A 332 37.404 35.584 20.795 1.00 13.28 O -ATOM 834 N GLY A 333 35.958 31.529 20.639 1.00 8.68 N -ATOM 835 CA GLY A 333 35.011 30.430 20.789 1.00 7.90 C -ATOM 836 C GLY A 333 35.585 29.288 21.613 1.00 8.52 C -ATOM 837 O GLY A 333 34.891 28.719 22.466 1.00 6.60 O -ATOM 838 N ILE A 334 36.850 28.948 21.335 1.00 7.60 N -ATOM 839 CA ILE A 334 37.525 27.817 21.955 1.00 9.04 C -ATOM 840 C ILE A 334 37.664 27.992 23.453 1.00 9.11 C -ATOM 841 O ILE A 334 37.547 27.042 24.186 1.00 8.88 O -ATOM 842 CB ILE A 334 38.923 27.585 21.308 1.00 10.86 C -ATOM 843 CG1 ILE A 334 38.738 26.999 19.897 1.00 12.26 C -ATOM 844 CG2 ILE A 334 39.833 26.705 22.226 1.00 9.80 C -ATOM 845 CD1 ILE A 334 39.991 27.054 19.019 1.00 19.53 C -ATOM 846 N LYS A 335 37.858 29.219 23.907 1.00 9.27 N -ATOM 847 CA LYS A 335 38.037 29.472 25.322 1.00 11.11 C -ATOM 848 C LYS A 335 36.750 29.434 26.163 1.00 9.98 C -ATOM 849 O LYS A 335 36.833 29.446 27.386 1.00 9.18 O -ATOM 850 CB LYS A 335 38.744 30.814 25.543 1.00 12.87 C -ATOM 851 CG LYS A 335 40.297 30.720 25.479 1.00 18.65 C -ATOM 852 CD LYS A 335 40.927 32.110 25.176 1.00 23.54 C -ATOM 853 CE LYS A 335 42.233 31.940 24.384 1.00 23.85 C -ATOM 854 NZ LYS A 335 42.237 32.773 23.164 1.00 21.87 N -ATOM 855 N LEU A 336 35.576 29.388 25.533 1.00 7.58 N -ATOM 856 CA LEU A 336 34.317 29.487 26.295 1.00 5.86 C -ATOM 857 C LEU A 336 34.136 28.339 27.275 1.00 5.69 C -ATOM 858 O LEU A 336 34.372 27.204 26.942 1.00 4.43 O -ATOM 859 CB LEU A 336 33.102 29.557 25.365 1.00 5.70 C -ATOM 860 CG LEU A 336 33.081 30.665 24.302 1.00 5.58 C -ATOM 861 CD1 LEU A 336 31.724 30.687 23.575 1.00 9.13 C -ATOM 862 CD2 LEU A 336 33.376 32.029 24.959 1.00 2.94 C -ATOM 863 N THR A 337 33.696 28.639 28.488 1.00 5.98 N -ATOM 864 CA THR A 337 33.436 27.572 29.474 1.00 6.94 C -ATOM 865 C THR A 337 32.140 26.847 29.130 1.00 5.62 C -ATOM 866 O THR A 337 31.282 27.411 28.436 1.00 3.32 O -ATOM 867 CB THR A 337 33.196 28.173 30.863 1.00 6.03 C -ATOM 868 OG1 THR A 337 32.063 29.052 30.779 1.00 7.25 O -ATOM 869 CG2 THR A 337 34.407 29.008 31.304 1.00 9.24 C -ATOM 870 N ILE A 338 31.937 25.672 29.742 1.00 4.52 N -ATOM 871 CA ILE A 338 30.669 24.966 29.627 1.00 3.70 C -ATOM 872 C ILE A 338 29.480 25.831 30.076 1.00 3.78 C -ATOM 873 O ILE A 338 28.392 25.725 29.503 1.00 2.23 O -ATOM 874 CB ILE A 338 30.695 23.575 30.373 1.00 4.72 C -ATOM 875 CG1 ILE A 338 29.420 22.763 30.085 1.00 5.55 C -ATOM 876 CG2 ILE A 338 30.848 23.762 31.880 1.00 5.13 C -ATOM 877 CD1 ILE A 338 29.199 22.390 28.564 1.00 5.09 C -ATOM 878 N ASN A 339 29.691 26.642 31.118 1.00 2.91 N -ATOM 879 CA ASN A 339 28.708 27.598 31.613 1.00 5.22 C -ATOM 880 C ASN A 339 28.182 28.514 30.492 1.00 4.11 C -ATOM 881 O ASN A 339 26.965 28.669 30.292 1.00 2.00 O -ATOM 882 CB ASN A 339 29.345 28.452 32.715 1.00 5.07 C -ATOM 883 CG ASN A 339 28.361 29.418 33.331 1.00 14.98 C -ATOM 884 OD1 ASN A 339 28.484 30.653 33.168 1.00 20.31 O -ATOM 885 ND2 ASN A 339 27.305 28.863 33.977 1.00 18.74 N -ATOM 886 N LYS A 340 29.121 29.074 29.725 1.00 3.35 N -ATOM 887 CA LYS A 340 28.726 29.973 28.637 1.00 2.06 C -ATOM 888 C LYS A 340 28.025 29.225 27.485 1.00 2.00 C -ATOM 889 O LYS A 340 27.074 29.746 26.890 1.00 2.39 O -ATOM 890 CB LYS A 340 29.891 30.826 28.165 1.00 2.31 C -ATOM 891 CG LYS A 340 29.591 31.778 26.945 1.00 2.00 C -ATOM 892 CD LYS A 340 28.613 32.895 27.361 1.00 2.15 C -ATOM 893 CE LYS A 340 28.061 33.684 26.168 1.00 2.00 C -ATOM 894 NZ LYS A 340 27.028 34.698 26.639 1.00 2.00 N -ATOM 895 N LEU A 341 28.443 27.990 27.215 1.00 2.00 N -ATOM 896 CA LEU A 341 27.854 27.214 26.154 1.00 2.00 C -ATOM 897 C LEU A 341 26.392 26.899 26.529 1.00 2.26 C -ATOM 898 O LEU A 341 25.481 26.916 25.683 1.00 2.00 O -ATOM 899 CB LEU A 341 28.649 25.916 25.915 1.00 2.00 C -ATOM 900 CG LEU A 341 30.129 26.039 25.493 1.00 3.18 C -ATOM 901 CD1 LEU A 341 30.769 24.694 25.353 1.00 2.00 C -ATOM 902 CD2 LEU A 341 30.324 26.833 24.181 1.00 2.53 C -ATOM 903 N LEU A 342 26.186 26.635 27.815 1.00 2.00 N -ATOM 904 CA LEU A 342 24.845 26.317 28.315 1.00 2.40 C -ATOM 905 C LEU A 342 23.957 27.543 28.226 1.00 2.00 C -ATOM 906 O LEU A 342 22.805 27.432 27.812 1.00 2.00 O -ATOM 907 CB LEU A 342 24.904 25.746 29.730 1.00 2.00 C -ATOM 908 CG LEU A 342 25.478 24.303 29.891 1.00 3.67 C -ATOM 909 CD1 LEU A 342 25.740 24.049 31.403 1.00 2.73 C -ATOM 910 CD2 LEU A 342 24.500 23.270 29.323 1.00 2.00 C -ATOM 911 N ASP A 343 24.534 28.709 28.554 1.00 2.00 N -ATOM 912 CA ASP A 343 23.891 30.041 28.402 1.00 2.00 C -ATOM 913 C ASP A 343 23.437 30.205 26.950 1.00 2.00 C -ATOM 914 O ASP A 343 22.254 30.364 26.673 1.00 2.00 O -ATOM 915 CB ASP A 343 24.914 31.142 28.793 1.00 2.00 C -ATOM 916 CG ASP A 343 24.453 32.572 28.443 1.00 2.06 C -ATOM 917 OD1 ASP A 343 23.248 32.819 28.202 1.00 2.00 O -ATOM 918 OD2 ASP A 343 25.308 33.487 28.444 1.00 2.00 O -ATOM 919 N MET A 344 24.374 30.122 26.013 1.00 2.00 N -ATOM 920 CA MET A 344 24.033 30.177 24.576 1.00 2.00 C -ATOM 921 C MET A 344 22.911 29.179 24.156 1.00 2.00 C -ATOM 922 O MET A 344 22.018 29.539 23.415 1.00 2.00 O -ATOM 923 CB MET A 344 25.294 29.974 23.734 1.00 2.00 C -ATOM 924 CG MET A 344 26.341 31.108 23.857 1.00 3.48 C -ATOM 925 SD MET A 344 27.652 30.740 22.678 1.00 9.90 S -ATOM 926 CE MET A 344 28.203 32.373 22.245 1.00 14.01 C -ATOM 927 N ALA A 345 22.975 27.940 24.648 1.00 2.00 N -ATOM 928 CA ALA A 345 21.937 26.946 24.342 1.00 2.00 C -ATOM 929 C ALA A 345 20.587 27.440 24.804 1.00 2.00 C -ATOM 930 O ALA A 345 19.599 27.246 24.110 1.00 2.00 O -ATOM 931 CB ALA A 345 22.238 25.632 24.997 1.00 2.00 C -ATOM 932 N ALA A 346 20.524 27.916 26.041 1.00 2.00 N -ATOM 933 CA ALA A 346 19.296 28.498 26.577 1.00 2.11 C -ATOM 934 C ALA A 346 18.769 29.659 25.716 1.00 2.00 C -ATOM 935 O ALA A 346 17.569 29.747 25.443 1.00 2.00 O -ATOM 936 CB ALA A 346 19.506 28.957 28.062 1.00 2.00 C -ATOM 937 N GLN A 347 19.675 30.531 25.261 1.00 2.00 N -ATOM 938 CA GLN A 347 19.271 31.679 24.416 1.00 2.00 C -ATOM 939 C GLN A 347 18.565 31.158 23.143 1.00 2.30 C -ATOM 940 O GLN A 347 17.502 31.650 22.746 1.00 2.00 O -ATOM 941 CB GLN A 347 20.484 32.529 24.073 1.00 2.00 C -ATOM 942 CG GLN A 347 21.143 33.160 25.313 1.00 2.00 C -ATOM 943 CD GLN A 347 22.233 34.201 24.977 1.00 2.04 C -ATOM 944 OE1 GLN A 347 22.223 34.814 23.879 1.00 2.00 O -ATOM 945 NE2 GLN A 347 23.151 34.437 25.936 1.00 2.00 N -ATOM 946 N ILE A 348 19.137 30.108 22.556 1.00 2.03 N -ATOM 947 CA ILE A 348 18.591 29.486 21.336 1.00 2.00 C -ATOM 948 C ILE A 348 17.200 28.886 21.627 1.00 2.00 C -ATOM 949 O ILE A 348 16.238 29.160 20.898 1.00 2.31 O -ATOM 950 CB ILE A 348 19.593 28.447 20.771 1.00 2.00 C -ATOM 951 CG1 ILE A 348 20.887 29.164 20.342 1.00 2.00 C -ATOM 952 CG2 ILE A 348 18.987 27.612 19.562 1.00 2.88 C -ATOM 953 CD1 ILE A 348 22.147 28.218 20.196 1.00 2.00 C -ATOM 954 N ALA A 349 17.070 28.137 22.730 1.00 2.00 N -ATOM 955 CA ALA A 349 15.788 27.551 23.082 1.00 2.46 C -ATOM 956 C ALA A 349 14.767 28.665 23.321 1.00 2.09 C -ATOM 957 O ALA A 349 13.588 28.488 23.031 1.00 2.00 O -ATOM 958 CB ALA A 349 15.893 26.598 24.312 1.00 2.00 C -ATOM 959 N GLU A 350 15.238 29.793 23.863 1.00 2.28 N -ATOM 960 CA GLU A 350 14.379 30.964 24.121 1.00 2.53 C -ATOM 961 C GLU A 350 13.821 31.489 22.816 1.00 2.00 C -ATOM 962 O GLU A 350 12.625 31.764 22.692 1.00 2.00 O -ATOM 963 CB GLU A 350 15.155 32.087 24.836 1.00 3.00 C -ATOM 964 CG GLU A 350 14.295 33.258 25.235 1.00 3.84 C -ATOM 965 CD GLU A 350 15.079 34.307 26.037 1.00 7.06 C -ATOM 966 OE1 GLU A 350 16.073 33.980 26.762 1.00 6.07 O -ATOM 967 OE2 GLU A 350 14.691 35.474 25.930 1.00 2.44 O -ATOM 968 N GLY A 351 14.700 31.576 21.817 1.00 2.00 N -ATOM 969 CA GLY A 351 14.277 31.990 20.484 1.00 2.00 C -ATOM 970 C GLY A 351 13.298 31.012 19.903 1.00 2.00 C -ATOM 971 O GLY A 351 12.244 31.416 19.377 1.00 2.00 O -ATOM 972 N MET A 352 13.638 29.727 19.985 1.00 2.00 N -ATOM 973 CA MET A 352 12.742 28.672 19.493 1.00 2.00 C -ATOM 974 C MET A 352 11.397 28.600 20.273 1.00 2.00 C -ATOM 975 O MET A 352 10.368 28.193 19.729 1.00 2.00 O -ATOM 976 CB MET A 352 13.435 27.299 19.535 1.00 2.03 C -ATOM 977 CG MET A 352 14.531 27.078 18.456 1.00 2.00 C -ATOM 978 SD MET A 352 14.025 27.511 16.788 1.00 2.00 S -ATOM 979 CE MET A 352 12.609 26.408 16.533 1.00 2.00 C -ATOM 980 N ALA A 353 11.378 29.020 21.533 1.00 2.00 N -ATOM 981 CA ALA A 353 10.122 28.986 22.286 1.00 2.00 C -ATOM 982 C ALA A 353 9.186 30.076 21.746 1.00 2.11 C -ATOM 983 O ALA A 353 7.958 29.904 21.733 1.00 2.00 O -ATOM 984 CB ALA A 353 10.377 29.178 23.775 1.00 2.00 C -ATOM 985 N PHE A 354 9.748 31.234 21.370 1.00 2.00 N -ATOM 986 CA PHE A 354 8.939 32.258 20.664 1.00 2.00 C -ATOM 987 C PHE A 354 8.329 31.716 19.357 1.00 2.00 C -ATOM 988 O PHE A 354 7.134 31.907 19.111 1.00 2.31 O -ATOM 989 CB PHE A 354 9.742 33.524 20.369 1.00 2.00 C -ATOM 990 CG PHE A 354 8.919 34.607 19.656 1.00 2.50 C -ATOM 991 CD1 PHE A 354 7.876 35.253 20.310 1.00 2.00 C -ATOM 992 CD2 PHE A 354 9.206 34.956 18.340 1.00 5.24 C -ATOM 993 CE1 PHE A 354 7.090 36.233 19.633 1.00 6.53 C -ATOM 994 CE2 PHE A 354 8.436 35.940 17.664 1.00 10.46 C -ATOM 995 CZ PHE A 354 7.395 36.579 18.323 1.00 2.19 C -ATOM 996 N ILE A 355 9.146 31.070 18.523 1.00 2.00 N -ATOM 997 CA ILE A 355 8.683 30.462 17.259 1.00 2.00 C -ATOM 998 C ILE A 355 7.529 29.465 17.485 1.00 2.00 C -ATOM 999 O ILE A 355 6.489 29.550 16.854 1.00 2.00 O -ATOM 1000 CB ILE A 355 9.886 29.858 16.458 1.00 2.00 C -ATOM 1001 CG1 ILE A 355 10.816 30.988 16.029 1.00 2.53 C -ATOM 1002 CG2 ILE A 355 9.428 28.958 15.269 1.00 2.00 C -ATOM 1003 CD1 ILE A 355 12.113 30.593 15.309 1.00 2.00 C -ATOM 1004 N GLU A 356 7.737 28.553 18.424 1.00 2.00 N -ATOM 1005 CA GLU A 356 6.733 27.618 18.902 1.00 2.00 C -ATOM 1006 C GLU A 356 5.436 28.332 19.333 1.00 3.31 C -ATOM 1007 O GLU A 356 4.355 27.970 18.876 1.00 2.00 O -ATOM 1008 CB GLU A 356 7.351 26.819 20.077 1.00 2.00 C -ATOM 1009 CG GLU A 356 6.414 25.992 20.974 1.00 3.32 C -ATOM 1010 CD GLU A 356 7.217 25.317 22.135 1.00 9.09 C -ATOM 1011 OE1 GLU A 356 7.409 25.882 23.291 1.00 9.68 O -ATOM 1012 OE2 GLU A 356 7.695 24.223 21.857 1.00 6.76 O -ATOM 1013 N GLU A 357 5.542 29.318 20.242 1.00 4.51 N -ATOM 1014 CA GLU A 357 4.347 30.060 20.689 1.00 5.82 C -ATOM 1015 C GLU A 357 3.572 30.683 19.539 1.00 4.91 C -ATOM 1016 O GLU A 357 2.337 30.765 19.595 1.00 4.63 O -ATOM 1017 CB GLU A 357 4.695 31.150 21.719 1.00 6.89 C -ATOM 1018 CG GLU A 357 3.609 32.212 21.845 1.00 12.79 C -ATOM 1019 CD GLU A 357 3.968 33.310 22.822 1.00 29.23 C -ATOM 1020 OE1 GLU A 357 5.199 33.602 23.005 1.00 32.12 O -ATOM 1021 OE2 GLU A 357 3.004 33.888 23.408 1.00 32.29 O -ATOM 1022 N ARG A 358 4.285 31.180 18.535 1.00 3.92 N -ATOM 1023 CA ARG A 358 3.629 31.873 17.418 1.00 5.22 C -ATOM 1024 C ARG A 358 3.034 30.933 16.359 1.00 5.23 C -ATOM 1025 O ARG A 358 2.475 31.365 15.352 1.00 3.66 O -ATOM 1026 CB ARG A 358 4.582 32.905 16.758 1.00 6.36 C -ATOM 1027 CG ARG A 358 5.133 33.981 17.667 1.00 5.17 C -ATOM 1028 CD ARG A 358 4.043 34.691 18.467 1.00 15.93 C -ATOM 1029 NE ARG A 358 3.054 35.264 17.585 1.00 15.91 N -ATOM 1030 CZ ARG A 358 1.808 35.561 17.939 1.00 20.45 C -ATOM 1031 NH1 ARG A 358 1.376 35.351 19.187 1.00 13.51 N -ATOM 1032 NH2 ARG A 358 0.986 36.067 17.028 1.00 21.20 N -ATOM 1033 N ASN A 359 3.159 29.630 16.584 1.00 5.61 N -ATOM 1034 CA ASN A 359 2.661 28.614 15.637 1.00 5.26 C -ATOM 1035 C ASN A 359 3.481 28.493 14.378 1.00 4.35 C -ATOM 1036 O ASN A 359 2.927 28.137 13.315 1.00 3.58 O -ATOM 1037 CB ASN A 359 1.199 28.829 15.238 1.00 4.09 C -ATOM 1038 CG ASN A 359 0.241 28.348 16.282 1.00 7.79 C -ATOM 1039 OD1 ASN A 359 0.614 27.596 17.162 1.00 11.44 O -ATOM 1040 ND2 ASN A 359 -1.016 28.803 16.206 1.00 9.87 N -ATOM 1041 N TYR A 360 4.778 28.789 14.481 1.00 2.58 N -ATOM 1042 CA TYR A 360 5.680 28.548 13.366 1.00 2.98 C -ATOM 1043 C TYR A 360 6.575 27.325 13.607 1.00 2.00 C -ATOM 1044 O TYR A 360 6.685 26.836 14.741 1.00 2.00 O -ATOM 1045 CB TYR A 360 6.558 29.780 13.079 1.00 2.76 C -ATOM 1046 CG TYR A 360 5.808 30.924 12.410 1.00 6.14 C -ATOM 1047 CD1 TYR A 360 4.974 31.766 13.152 1.00 5.31 C -ATOM 1048 CD2 TYR A 360 5.960 31.173 11.052 1.00 7.62 C -ATOM 1049 CE1 TYR A 360 4.303 32.824 12.538 1.00 12.71 C -ATOM 1050 CE2 TYR A 360 5.271 32.209 10.409 1.00 7.91 C -ATOM 1051 CZ TYR A 360 4.476 33.048 11.150 1.00 14.23 C -ATOM 1052 OH TYR A 360 3.779 34.075 10.507 1.00 17.71 O -ATOM 1053 N ILE A 361 7.232 26.863 12.538 1.00 2.00 N -ATOM 1054 CA ILE A 361 8.321 25.882 12.663 1.00 2.70 C -ATOM 1055 C ILE A 361 9.441 26.436 11.795 1.00 2.84 C -ATOM 1056 O ILE A 361 9.147 27.161 10.835 1.00 2.17 O -ATOM 1057 CB ILE A 361 7.913 24.451 12.124 1.00 2.01 C -ATOM 1058 CG1 ILE A 361 7.325 24.508 10.695 1.00 3.20 C -ATOM 1059 CG2 ILE A 361 6.892 23.794 13.052 1.00 2.00 C -ATOM 1060 CD1 ILE A 361 6.996 23.096 10.113 1.00 2.00 C -ATOM 1061 N HIS A 362 10.681 26.031 12.080 1.00 2.00 N -ATOM 1062 CA HIS A 362 11.880 26.542 11.384 1.00 2.00 C -ATOM 1063 C HIS A 362 12.383 25.549 10.300 1.00 2.00 C -ATOM 1064 O HIS A 362 12.703 25.962 9.188 1.00 2.00 O -ATOM 1065 CB HIS A 362 12.998 26.787 12.407 1.00 2.00 C -ATOM 1066 CG HIS A 362 14.194 27.518 11.854 1.00 3.13 C -ATOM 1067 ND1 HIS A 362 15.186 26.896 11.118 1.00 2.00 N -ATOM 1068 CD2 HIS A 362 14.562 28.817 11.953 1.00 2.00 C -ATOM 1069 CE1 HIS A 362 16.110 27.783 10.793 1.00 2.00 C -ATOM 1070 NE2 HIS A 362 15.750 28.958 11.278 1.00 2.00 N -ATOM 1071 N ARG A 363 12.510 24.274 10.680 1.00 2.00 N -ATOM 1072 CA ARG A 363 12.920 23.173 9.809 1.00 2.31 C -ATOM 1073 C ARG A 363 14.381 23.098 9.399 1.00 2.00 C -ATOM 1074 O ARG A 363 14.759 22.145 8.734 1.00 2.00 O -ATOM 1075 CB ARG A 363 12.042 23.077 8.522 1.00 2.00 C -ATOM 1076 CG ARG A 363 10.545 22.874 8.805 1.00 4.20 C -ATOM 1077 CD ARG A 363 9.849 22.334 7.555 1.00 2.00 C -ATOM 1078 NE ARG A 363 9.843 23.312 6.472 1.00 4.22 N -ATOM 1079 CZ ARG A 363 9.800 22.996 5.173 1.00 5.80 C -ATOM 1080 NH1 ARG A 363 9.854 21.731 4.790 1.00 6.12 N -ATOM 1081 NH2 ARG A 363 9.718 23.949 4.260 1.00 3.78 N -ATOM 1082 N ASP A 364 15.196 24.089 9.768 1.00 2.12 N -ATOM 1083 CA ASP A 364 16.618 24.125 9.350 1.00 2.00 C -ATOM 1084 C ASP A 364 17.469 24.500 10.575 1.00 2.00 C -ATOM 1085 O ASP A 364 18.446 25.256 10.468 1.00 2.00 O -ATOM 1086 CB ASP A 364 16.793 25.157 8.262 1.00 2.00 C -ATOM 1087 CG ASP A 364 18.021 24.902 7.367 1.00 2.00 C -ATOM 1088 OD1 ASP A 364 18.826 23.976 7.614 1.00 3.59 O -ATOM 1089 OD2 ASP A 364 18.144 25.653 6.373 1.00 4.83 O -ATOM 1090 N LEU A 365 17.017 24.050 11.749 1.00 2.00 N -ATOM 1091 CA LEU A 365 17.660 24.398 12.999 1.00 2.00 C -ATOM 1092 C LEU A 365 18.934 23.590 13.177 1.00 2.00 C -ATOM 1093 O LEU A 365 18.907 22.343 13.240 1.00 2.00 O -ATOM 1094 CB LEU A 365 16.697 24.169 14.183 1.00 2.00 C -ATOM 1095 CG LEU A 365 17.217 24.497 15.575 1.00 2.10 C -ATOM 1096 CD1 LEU A 365 17.670 25.949 15.716 1.00 2.00 C -ATOM 1097 CD2 LEU A 365 16.122 24.143 16.648 1.00 2.00 C -ATOM 1098 N ARG A 366 20.032 24.319 13.333 1.00 2.00 N -ATOM 1099 CA ARG A 366 21.354 23.708 13.357 1.00 2.00 C -ATOM 1100 C ARG A 366 22.339 24.833 13.621 1.00 2.55 C -ATOM 1101 O ARG A 366 22.039 26.008 13.351 1.00 3.16 O -ATOM 1102 CB ARG A 366 21.647 23.036 12.006 1.00 2.10 C -ATOM 1103 CG ARG A 366 21.769 24.059 10.837 1.00 2.00 C -ATOM 1104 CD ARG A 366 21.981 23.315 9.517 1.00 5.43 C -ATOM 1105 NE ARG A 366 23.271 22.617 9.466 1.00 4.53 N -ATOM 1106 CZ ARG A 366 23.576 21.712 8.537 1.00 12.09 C -ATOM 1107 NH1 ARG A 366 22.701 21.435 7.582 1.00 9.11 N -ATOM 1108 NH2 ARG A 366 24.755 21.109 8.540 1.00 12.87 N -ATOM 1109 N ALA A 367 23.509 24.508 14.164 1.00 2.36 N -ATOM 1110 CA ALA A 367 24.432 25.572 14.596 1.00 2.00 C -ATOM 1111 C ALA A 367 24.859 26.502 13.450 1.00 2.00 C -ATOM 1112 O ALA A 367 25.159 27.661 13.690 1.00 2.00 O -ATOM 1113 CB ALA A 367 25.644 25.001 15.319 1.00 2.00 C -ATOM 1114 N ALA A 368 24.852 26.008 12.222 1.00 2.00 N -ATOM 1115 CA ALA A 368 25.158 26.875 11.078 1.00 3.06 C -ATOM 1116 C ALA A 368 24.114 28.013 10.953 1.00 2.82 C -ATOM 1117 O ALA A 368 24.425 29.082 10.435 1.00 2.00 O -ATOM 1118 CB ALA A 368 25.228 26.042 9.747 1.00 3.88 C -ATOM 1119 N ASN A 369 22.890 27.786 11.442 1.00 2.00 N -ATOM 1120 CA ASN A 369 21.847 28.794 11.353 1.00 2.00 C -ATOM 1121 C ASN A 369 21.533 29.522 12.671 1.00 2.00 C -ATOM 1122 O ASN A 369 20.464 30.084 12.840 1.00 2.00 O -ATOM 1123 CB ASN A 369 20.590 28.207 10.711 1.00 2.00 C -ATOM 1124 CG ASN A 369 20.827 27.806 9.275 1.00 5.19 C -ATOM 1125 OD1 ASN A 369 21.670 28.411 8.585 1.00 3.13 O -ATOM 1126 ND2 ASN A 369 20.094 26.795 8.805 1.00 2.00 N -ATOM 1127 N ILE A 370 22.492 29.506 13.596 1.00 2.61 N -ATOM 1128 CA ILE A 370 22.462 30.403 14.759 1.00 2.37 C -ATOM 1129 C ILE A 370 23.582 31.448 14.526 1.00 2.92 C -ATOM 1130 O ILE A 370 24.705 31.081 14.140 1.00 2.00 O -ATOM 1131 CB ILE A 370 22.729 29.623 16.064 1.00 2.00 C -ATOM 1132 CG1 ILE A 370 21.706 28.475 16.244 1.00 2.00 C -ATOM 1133 CG2 ILE A 370 22.745 30.578 17.284 1.00 2.00 C -ATOM 1134 CD1 ILE A 370 20.215 28.904 16.090 1.00 2.00 C -ATOM 1135 N LEU A 371 23.268 32.737 14.697 1.00 2.00 N -ATOM 1136 CA LEU A 371 24.294 33.779 14.588 1.00 2.00 C -ATOM 1137 C LEU A 371 24.618 34.352 15.965 1.00 2.00 C -ATOM 1138 O LEU A 371 23.794 34.294 16.892 1.00 2.00 O -ATOM 1139 CB LEU A 371 23.892 34.895 13.599 1.00 2.00 C -ATOM 1140 CG LEU A 371 23.534 34.491 12.159 1.00 2.00 C -ATOM 1141 CD1 LEU A 371 23.243 35.702 11.214 1.00 2.00 C -ATOM 1142 CD2 LEU A 371 24.680 33.624 11.568 1.00 2.96 C -ATOM 1143 N VAL A 372 25.837 34.871 16.085 1.00 2.00 N -ATOM 1144 CA VAL A 372 26.398 35.310 17.351 1.00 2.00 C -ATOM 1145 C VAL A 372 26.757 36.788 17.243 1.00 2.00 C -ATOM 1146 O VAL A 372 27.441 37.195 16.319 1.00 2.00 O -ATOM 1147 CB VAL A 372 27.691 34.483 17.745 1.00 2.00 C -ATOM 1148 CG1 VAL A 372 28.227 34.874 19.130 1.00 2.00 C -ATOM 1149 CG2 VAL A 372 27.439 32.944 17.611 1.00 2.00 C -ATOM 1150 N SER A 373 26.300 37.566 18.223 1.00 2.00 N -ATOM 1151 CA SER A 373 26.545 39.003 18.253 1.00 2.00 C -ATOM 1152 C SER A 373 27.925 39.318 18.847 1.00 2.00 C -ATOM 1153 O SER A 373 28.611 38.429 19.398 1.00 2.00 O -ATOM 1154 CB SER A 373 25.469 39.658 19.128 1.00 2.00 C -ATOM 1155 OG SER A 373 25.749 39.422 20.496 1.00 2.00 O -ATOM 1156 N ASP A 374 28.314 40.598 18.768 1.00 2.13 N -ATOM 1157 CA ASP A 374 29.550 41.044 19.388 1.00 2.02 C -ATOM 1158 C ASP A 374 29.527 40.891 20.920 1.00 4.17 C -ATOM 1159 O ASP A 374 30.574 41.001 21.538 1.00 5.38 O -ATOM 1160 CB ASP A 374 29.849 42.507 19.035 1.00 4.25 C -ATOM 1161 CG ASP A 374 28.782 43.475 19.569 1.00 5.36 C -ATOM 1162 OD1 ASP A 374 27.581 43.197 19.424 1.00 4.61 O -ATOM 1163 OD2 ASP A 374 29.143 44.481 20.212 1.00 12.87 O -ATOM 1164 N THR A 375 28.351 40.753 21.543 1.00 2.33 N -ATOM 1165 CA THR A 375 28.281 40.571 23.003 1.00 2.30 C -ATOM 1166 C THR A 375 28.108 39.087 23.364 1.00 2.00 C -ATOM 1167 O THR A 375 27.727 38.742 24.490 1.00 2.00 O -ATOM 1168 CB THR A 375 27.092 41.327 23.613 1.00 2.45 C -ATOM 1169 OG1 THR A 375 25.860 40.809 23.060 1.00 2.00 O -ATOM 1170 CG2 THR A 375 27.212 42.845 23.388 1.00 2.00 C -ATOM 1171 N LEU A 376 28.332 38.218 22.374 1.00 2.00 N -ATOM 1172 CA LEU A 376 28.199 36.786 22.591 1.00 3.07 C -ATOM 1173 C LEU A 376 26.764 36.374 22.995 1.00 2.43 C -ATOM 1174 O LEU A 376 26.584 35.465 23.798 1.00 2.00 O -ATOM 1175 CB LEU A 376 29.220 36.266 23.617 1.00 2.00 C -ATOM 1176 CG LEU A 376 30.700 36.555 23.354 1.00 5.95 C -ATOM 1177 CD1 LEU A 376 31.546 35.554 24.192 1.00 7.68 C -ATOM 1178 CD2 LEU A 376 31.078 36.435 21.887 1.00 4.34 C -ATOM 1179 N SER A 377 25.770 37.038 22.397 1.00 2.00 N -ATOM 1180 CA SER A 377 24.406 36.561 22.421 1.00 2.00 C -ATOM 1181 C SER A 377 24.112 35.846 21.091 1.00 2.00 C -ATOM 1182 O SER A 377 24.781 36.092 20.079 1.00 2.00 O -ATOM 1183 CB SER A 377 23.397 37.692 22.708 1.00 2.00 C -ATOM 1184 OG SER A 377 23.580 38.837 21.863 1.00 2.00 O -ATOM 1185 N CYS A 378 23.125 34.961 21.115 1.00 2.00 N -ATOM 1186 CA CYS A 378 22.770 34.131 19.967 1.00 2.00 C -ATOM 1187 C CYS A 378 21.369 34.458 19.464 1.00 2.00 C -ATOM 1188 O CYS A 378 20.483 34.766 20.252 1.00 2.00 O -ATOM 1189 CB CYS A 378 22.806 32.644 20.365 1.00 2.00 C -ATOM 1190 SG CYS A 378 24.458 32.073 20.806 1.00 2.69 S -ATOM 1191 N LYS A 379 21.170 34.331 18.153 1.00 2.00 N -ATOM 1192 CA LYS A 379 19.877 34.600 17.541 1.00 2.00 C -ATOM 1193 C LYS A 379 19.575 33.555 16.453 1.00 2.00 C -ATOM 1194 O LYS A 379 20.491 33.089 15.759 1.00 2.00 O -ATOM 1195 CB LYS A 379 19.814 36.064 16.990 1.00 2.00 C -ATOM 1196 CG LYS A 379 19.904 37.148 18.103 1.00 2.00 C -ATOM 1197 CD LYS A 379 19.600 38.561 17.583 1.00 2.00 C -ATOM 1198 CE LYS A 379 19.891 39.609 18.677 1.00 2.00 C -ATOM 1199 NZ LYS A 379 19.076 40.813 18.591 1.00 2.00 N -ATOM 1200 N ILE A 380 18.313 33.153 16.342 1.00 2.00 N -ATOM 1201 CA ILE A 380 17.895 32.258 15.245 1.00 2.00 C -ATOM 1202 C ILE A 380 17.968 33.015 13.896 1.00 2.00 C -ATOM 1203 O ILE A 380 17.578 34.166 13.781 1.00 2.00 O -ATOM 1204 CB ILE A 380 16.440 31.665 15.430 1.00 2.00 C -ATOM 1205 CG1 ILE A 380 16.124 31.234 16.887 1.00 2.00 C -ATOM 1206 CG2 ILE A 380 16.162 30.563 14.421 1.00 2.00 C -ATOM 1207 CD1 ILE A 380 17.035 30.261 17.473 1.00 2.00 C -ATOM 1208 N ALA A 381 18.451 32.325 12.869 1.00 2.01 N -ATOM 1209 CA ALA A 381 18.638 32.929 11.561 1.00 2.09 C -ATOM 1210 C ALA A 381 18.121 31.950 10.488 1.00 3.15 C -ATOM 1211 O ALA A 381 17.820 30.761 10.779 1.00 2.00 O -ATOM 1212 CB ALA A 381 20.141 33.240 11.347 1.00 2.95 C -ATOM 1213 N ASP A 382 18.014 32.470 9.270 1.00 2.71 N -ATOM 1214 CA ASP A 382 17.709 31.688 8.079 1.00 5.90 C -ATOM 1215 C ASP A 382 16.320 31.053 8.128 1.00 5.01 C -ATOM 1216 O ASP A 382 16.175 29.864 8.428 1.00 3.75 O -ATOM 1217 CB ASP A 382 18.771 30.617 7.786 1.00 5.25 C -ATOM 1218 CG ASP A 382 18.677 30.090 6.329 1.00 13.21 C -ATOM 1219 OD1 ASP A 382 17.551 30.087 5.725 1.00 12.54 O -ATOM 1220 OD2 ASP A 382 19.733 29.693 5.794 1.00 19.25 O -ATOM 1221 N PHE A 383 15.336 31.850 7.736 1.00 4.38 N -ATOM 1222 CA PHE A 383 13.936 31.503 7.824 1.00 3.89 C -ATOM 1223 C PHE A 383 13.363 31.025 6.457 1.00 4.90 C -ATOM 1224 O PHE A 383 12.145 31.037 6.231 1.00 4.81 O -ATOM 1225 CB PHE A 383 13.197 32.739 8.369 1.00 4.51 C -ATOM 1226 CG PHE A 383 13.593 33.089 9.782 1.00 3.75 C -ATOM 1227 CD1 PHE A 383 13.021 32.423 10.854 1.00 2.73 C -ATOM 1228 CD2 PHE A 383 14.608 33.997 10.033 1.00 2.00 C -ATOM 1229 CE1 PHE A 383 13.441 32.697 12.163 1.00 4.64 C -ATOM 1230 CE2 PHE A 383 14.986 34.320 11.331 1.00 4.70 C -ATOM 1231 CZ PHE A 383 14.436 33.645 12.397 1.00 3.90 C -ATOM 1232 N GLY A 384 14.256 30.618 5.558 1.00 4.06 N -ATOM 1233 CA GLY A 384 13.886 30.167 4.231 1.00 4.91 C -ATOM 1234 C GLY A 384 12.911 28.999 4.256 1.00 4.71 C -ATOM 1235 O GLY A 384 11.994 28.925 3.418 1.00 5.50 O -ATOM 1236 N LEU A 385 13.095 28.083 5.197 1.00 3.43 N -ATOM 1237 CA LEU A 385 12.222 26.913 5.267 1.00 3.74 C -ATOM 1238 C LEU A 385 11.138 27.024 6.334 1.00 4.17 C -ATOM 1239 O LEU A 385 10.323 26.102 6.489 1.00 4.56 O -ATOM 1240 CB LEU A 385 13.044 25.644 5.497 1.00 3.50 C -ATOM 1241 CG LEU A 385 14.014 25.295 4.362 1.00 4.96 C -ATOM 1242 CD1 LEU A 385 15.082 24.325 4.959 1.00 10.96 C -ATOM 1243 CD2 LEU A 385 13.256 24.646 3.173 1.00 9.60 C -ATOM 1244 N ALA A 386 11.183 28.116 7.096 1.00 3.32 N -ATOM 1245 CA ALA A 386 10.263 28.362 8.205 1.00 3.54 C -ATOM 1246 C ALA A 386 8.832 28.474 7.650 1.00 4.40 C -ATOM 1247 O ALA A 386 8.642 29.000 6.559 1.00 4.90 O -ATOM 1248 CB ALA A 386 10.671 29.644 8.910 1.00 2.62 C -ATOM 1249 N ARG A 387 7.836 27.966 8.373 1.00 4.74 N -ATOM 1250 CA ARG A 387 6.436 27.960 7.870 1.00 5.26 C -ATOM 1251 C ARG A 387 5.509 28.188 9.050 1.00 7.04 C -ATOM 1252 O ARG A 387 5.775 27.687 10.158 1.00 4.34 O -ATOM 1253 CB ARG A 387 6.052 26.601 7.251 1.00 4.25 C -ATOM 1254 CG ARG A 387 6.843 26.192 6.033 1.00 4.51 C -ATOM 1255 CD ARG A 387 6.692 27.199 4.893 1.00 3.22 C -ATOM 1256 NE ARG A 387 7.368 26.708 3.703 1.00 2.40 N -ATOM 1257 CZ ARG A 387 8.564 27.096 3.279 1.00 5.06 C -ATOM 1258 NH1 ARG A 387 9.251 28.062 3.897 1.00 4.45 N -ATOM 1259 NH2 ARG A 387 9.059 26.554 2.187 1.00 2.00 N -ATOM 1260 N LEU A 388 4.439 28.958 8.814 1.00 9.66 N -ATOM 1261 CA LEU A 388 3.307 29.049 9.751 1.00 12.21 C -ATOM 1262 C LEU A 388 2.514 27.742 9.698 1.00 15.54 C -ATOM 1263 O LEU A 388 2.254 27.224 8.618 1.00 15.06 O -ATOM 1264 CB LEU A 388 2.404 30.224 9.358 1.00 13.35 C -ATOM 1265 CG LEU A 388 0.991 30.343 9.932 1.00 13.83 C -ATOM 1266 CD1 LEU A 388 1.033 30.990 11.276 1.00 16.35 C -ATOM 1267 CD2 LEU A 388 0.098 31.142 8.976 1.00 15.77 C -ATOM 1268 N ILE A 389 2.124 27.204 10.846 1.00 18.87 N -ATOM 1269 CA ILE A 389 1.175 26.098 10.834 1.00 24.38 C -ATOM 1270 C ILE A 389 -0.227 26.603 11.165 1.00 27.24 C -ATOM 1271 O ILE A 389 -0.383 27.492 12.004 1.00 29.51 O -ATOM 1272 CB ILE A 389 1.529 25.018 11.871 1.00 25.19 C -ATOM 1273 CG1 ILE A 389 3.015 24.673 11.832 1.00 24.20 C -ATOM 1274 CG2 ILE A 389 0.671 23.780 11.620 1.00 26.93 C -ATOM 1275 CD1 ILE A 389 3.470 24.188 10.425 1.00 24.68 C -ATOM 1276 N GLU A 390 -1.244 26.070 10.502 1.00 31.09 N -ATOM 1277 CA GLU A 390 -2.627 26.185 11.011 1.00 34.27 C -ATOM 1278 C GLU A 390 -2.949 24.933 11.847 1.00 35.55 C -ATOM 1279 O GLU A 390 -3.338 25.056 13.013 1.00 36.48 O -ATOM 1280 CB GLU A 390 -3.656 26.316 9.881 1.00 34.98 C -ATOM 1281 CG GLU A 390 -3.113 26.799 8.541 1.00 40.10 C -ATOM 1282 CD GLU A 390 -2.408 25.683 7.753 1.00 46.40 C -ATOM 1283 OE1 GLU A 390 -2.947 25.220 6.711 1.00 48.98 O -ATOM 1284 OE2 GLU A 390 -1.316 25.261 8.187 1.00 47.86 O -ATOM 1285 N ASP A 391 -2.706 23.741 11.269 1.00 36.15 N -ATOM 1286 CA ASP A 391 -3.135 22.441 11.828 1.00 36.59 C -ATOM 1287 C ASP A 391 -2.004 21.512 12.262 1.00 36.46 C -ATOM 1288 O ASP A 391 -1.913 20.383 11.777 1.00 36.80 O -ATOM 1289 CB ASP A 391 -3.961 21.671 10.793 1.00 37.56 C -ATOM 1290 CG ASP A 391 -5.286 22.335 10.485 1.00 40.07 C -ATOM 1291 OD1 ASP A 391 -5.434 22.896 9.373 1.00 42.79 O -ATOM 1292 OD2 ASP A 391 -6.178 22.302 11.361 1.00 43.28 O -ATOM 1293 N ASN A 392 -1.159 21.977 13.179 1.00 35.67 N -ATOM 1294 CA ASN A 392 -0.066 21.176 13.767 1.00 35.10 C -ATOM 1295 C ASN A 392 1.117 20.778 12.856 1.00 32.80 C -ATOM 1296 O ASN A 392 2.269 20.807 13.296 1.00 31.50 O -ATOM 1297 CB ASN A 392 -0.614 19.940 14.501 1.00 35.90 C -ATOM 1298 CG ASN A 392 -0.039 19.796 15.901 1.00 39.65 C -ATOM 1299 OD1 ASN A 392 -0.313 20.625 16.779 1.00 42.04 O -ATOM 1300 ND2 ASN A 392 0.771 18.745 16.118 1.00 41.69 N -ATOM 1301 N GLU A 393 0.828 20.485 11.585 1.00 31.01 N -ATOM 1302 CA GLU A 393 1.776 19.813 10.689 1.00 28.62 C -ATOM 1303 C GLU A 393 1.943 20.469 9.310 1.00 26.92 C -ATOM 1304 O GLU A 393 0.964 20.840 8.650 1.00 26.41 O -ATOM 1305 CB GLU A 393 1.285 18.385 10.484 1.00 29.14 C -ATOM 1306 CG GLU A 393 2.340 17.351 10.278 1.00 30.67 C -ATOM 1307 CD GLU A 393 1.727 15.960 10.287 1.00 34.61 C -ATOM 1308 OE1 GLU A 393 0.913 15.682 9.378 1.00 33.01 O -ATOM 1309 OE2 GLU A 393 2.031 15.165 11.214 1.00 35.22 O -HETATM 1310 N PTR A 394 3.191 20.552 8.864 1.00 23.90 N -HETATM 1311 CA PTR A 394 3.511 20.913 7.488 1.00 21.37 C -HETATM 1312 C PTR A 394 4.048 19.654 6.797 1.00 20.93 C -HETATM 1313 O PTR A 394 4.952 19.002 7.317 1.00 20.00 O -HETATM 1314 CB PTR A 394 4.453 22.146 7.389 1.00 20.83 C -HETATM 1315 CG PTR A 394 5.013 22.363 6.000 1.00 19.73 C -HETATM 1316 CD1 PTR A 394 4.438 23.277 5.111 1.00 19.36 C -HETATM 1317 CD2 PTR A 394 6.097 21.631 5.563 1.00 21.40 C -HETATM 1318 CE1 PTR A 394 4.915 23.414 3.808 1.00 20.51 C -HETATM 1319 CE2 PTR A 394 6.594 21.781 4.276 1.00 23.35 C -HETATM 1320 CZ PTR A 394 6.017 22.679 3.403 1.00 22.25 C -HETATM 1321 OH PTR A 394 6.503 22.686 2.249 1.00 27.83 O -HETATM 1322 P PTR A 394 6.572 23.877 1.173 1.00 28.69 P -HETATM 1323 O1P PTR A 394 5.674 24.989 1.541 1.00 31.72 O -HETATM 1324 O2P PTR A 394 8.016 24.366 1.277 1.00 33.21 O -HETATM 1325 O3P PTR A 394 6.274 23.420 -0.254 1.00 28.13 O -ATOM 1326 N THR A 395 3.491 19.312 5.632 1.00 19.81 N -ATOM 1327 CA THR A 395 3.924 18.127 4.895 1.00 19.23 C -ATOM 1328 C THR A 395 4.706 18.568 3.650 1.00 19.71 C -ATOM 1329 O THR A 395 4.166 19.271 2.816 1.00 18.93 O -ATOM 1330 CB THR A 395 2.700 17.174 4.576 1.00 19.40 C -ATOM 1331 OG1 THR A 395 2.157 16.637 5.800 1.00 17.46 O -ATOM 1332 CG2 THR A 395 3.098 16.011 3.693 1.00 19.01 C -ATOM 1333 N ALA A 396 5.999 18.263 3.590 1.00 19.63 N -ATOM 1334 CA ALA A 396 6.796 18.518 2.385 1.00 23.28 C -ATOM 1335 C ALA A 396 6.420 17.570 1.221 1.00 25.29 C -ATOM 1336 O ALA A 396 5.667 16.606 1.402 1.00 26.08 O -ATOM 1337 CB ALA A 396 8.292 18.382 2.690 1.00 21.66 C -ATOM 1338 N ARG A 397 7.012 17.825 0.059 1.00 28.07 N -ATOM 1339 CA ARG A 397 6.892 16.980 -1.129 1.00 31.21 C -ATOM 1340 C ARG A 397 7.559 15.596 -0.979 1.00 31.98 C -ATOM 1341 O ARG A 397 8.457 15.415 -0.159 1.00 31.14 O -ATOM 1342 CB ARG A 397 7.563 17.699 -2.302 1.00 32.31 C -ATOM 1343 CG ARG A 397 6.751 17.687 -3.573 1.00 37.60 C -ATOM 1344 CD ARG A 397 5.494 18.561 -3.413 1.00 43.09 C -ATOM 1345 NE ARG A 397 4.543 18.441 -4.529 1.00 48.12 N -ATOM 1346 CZ ARG A 397 4.306 17.343 -5.257 1.00 47.08 C -ATOM 1347 NH1 ARG A 397 4.923 16.182 -4.997 1.00 46.15 N -ATOM 1348 NH2 ARG A 397 3.418 17.412 -6.241 1.00 43.24 N -ATOM 1349 N GLU A 398 7.130 14.637 -1.802 1.00 33.26 N -ATOM 1350 CA GLU A 398 7.823 13.354 -1.926 1.00 34.22 C -ATOM 1351 C GLU A 398 9.302 13.520 -2.320 1.00 33.92 C -ATOM 1352 O GLU A 398 10.193 12.896 -1.711 1.00 33.95 O -ATOM 1353 CB GLU A 398 7.098 12.437 -2.923 1.00 35.55 C -ATOM 1354 CG GLU A 398 6.800 11.041 -2.366 1.00 37.88 C -ATOM 1355 CD GLU A 398 5.759 11.084 -1.255 1.00 42.62 C -ATOM 1356 OE1 GLU A 398 5.533 12.191 -0.705 1.00 43.81 O -ATOM 1357 OE2 GLU A 398 5.173 10.022 -0.924 1.00 43.14 O -ATOM 1358 N GLY A 399 9.570 14.378 -3.306 1.00 33.35 N -ATOM 1359 CA GLY A 399 10.961 14.659 -3.745 1.00 32.88 C -ATOM 1360 C GLY A 399 11.902 15.404 -2.782 1.00 32.15 C -ATOM 1361 O GLY A 399 13.132 15.347 -2.940 1.00 32.41 O -ATOM 1362 N ALA A 400 11.335 16.096 -1.785 1.00 29.99 N -ATOM 1363 CA ALA A 400 12.105 17.000 -0.911 1.00 27.08 C -ATOM 1364 C ALA A 400 13.149 16.293 -0.035 1.00 24.80 C -ATOM 1365 O ALA A 400 12.863 15.251 0.566 1.00 23.99 O -ATOM 1366 CB ALA A 400 11.176 17.832 -0.059 1.00 26.88 C -ATOM 1367 N LYS A 401 14.348 16.879 0.039 1.00 21.28 N -ATOM 1368 CA LYS A 401 15.483 16.271 0.756 1.00 18.97 C -ATOM 1369 C LYS A 401 16.015 17.195 1.861 1.00 15.96 C -ATOM 1370 O LYS A 401 16.158 18.392 1.646 1.00 15.07 O -ATOM 1371 CB LYS A 401 16.614 15.952 -0.220 1.00 18.25 C -ATOM 1372 CG LYS A 401 16.871 14.474 -0.457 1.00 23.38 C -ATOM 1373 CD LYS A 401 15.857 13.798 -1.369 1.00 27.73 C -ATOM 1374 CE LYS A 401 15.957 12.273 -1.245 1.00 31.69 C -ATOM 1375 NZ LYS A 401 14.817 11.547 -1.941 1.00 33.94 N -ATOM 1376 N PHE A 402 16.352 16.621 3.018 1.00 12.79 N -ATOM 1377 CA PHE A 402 16.768 17.387 4.205 1.00 10.45 C -ATOM 1378 C PHE A 402 17.992 16.704 4.815 1.00 8.46 C -ATOM 1379 O PHE A 402 18.179 15.516 4.601 1.00 8.85 O -ATOM 1380 CB PHE A 402 15.614 17.415 5.193 1.00 10.06 C -ATOM 1381 CG PHE A 402 14.326 17.960 4.597 1.00 11.53 C -ATOM 1382 CD1 PHE A 402 13.322 17.103 4.163 1.00 12.37 C -ATOM 1383 CD2 PHE A 402 14.155 19.325 4.414 1.00 12.21 C -ATOM 1384 CE1 PHE A 402 12.148 17.612 3.593 1.00 10.39 C -ATOM 1385 CE2 PHE A 402 12.973 19.841 3.849 1.00 10.18 C -ATOM 1386 CZ PHE A 402 11.978 18.983 3.457 1.00 8.12 C -ATOM 1387 N PRO A 403 18.860 17.454 5.506 1.00 5.20 N -ATOM 1388 CA PRO A 403 20.066 16.830 6.078 1.00 4.90 C -ATOM 1389 C PRO A 403 19.673 15.737 7.028 1.00 3.55 C -ATOM 1390 O PRO A 403 18.973 16.012 7.996 1.00 3.94 O -ATOM 1391 CB PRO A 403 20.700 17.970 6.882 1.00 4.49 C -ATOM 1392 CG PRO A 403 20.208 19.224 6.129 1.00 8.27 C -ATOM 1393 CD PRO A 403 18.835 18.915 5.694 1.00 4.73 C -ATOM 1394 N ILE A 404 20.147 14.523 6.783 1.00 3.33 N -ATOM 1395 CA ILE A 404 19.754 13.358 7.563 1.00 3.17 C -ATOM 1396 C ILE A 404 20.139 13.481 9.034 1.00 2.74 C -ATOM 1397 O ILE A 404 19.341 13.173 9.896 1.00 2.67 O -ATOM 1398 CB ILE A 404 20.299 12.038 6.918 1.00 3.23 C -ATOM 1399 CG1 ILE A 404 19.730 11.853 5.507 1.00 4.65 C -ATOM 1400 CG2 ILE A 404 20.064 10.785 7.789 1.00 2.00 C -ATOM 1401 CD1 ILE A 404 18.216 11.933 5.473 1.00 9.81 C -ATOM 1402 N LYS A 405 21.327 13.986 9.316 1.00 2.00 N -ATOM 1403 CA LYS A 405 21.825 13.980 10.683 1.00 2.00 C -ATOM 1404 C LYS A 405 21.054 14.915 11.635 1.00 2.00 C -ATOM 1405 O LYS A 405 20.995 14.625 12.842 1.00 2.00 O -ATOM 1406 CB LYS A 405 23.347 14.236 10.725 1.00 2.00 C -ATOM 1407 CG LYS A 405 24.196 13.024 10.201 1.00 2.98 C -ATOM 1408 CD LYS A 405 25.784 13.266 10.133 1.00 9.30 C -ATOM 1409 CE LYS A 405 26.602 11.892 10.104 1.00 10.27 C -ATOM 1410 NZ LYS A 405 28.141 11.796 10.605 1.00 9.00 N -ATOM 1411 N TRP A 406 20.484 16.006 11.091 1.00 2.00 N -ATOM 1412 CA TRP A 406 19.785 17.038 11.849 1.00 2.00 C -ATOM 1413 C TRP A 406 18.289 16.923 11.881 1.00 2.00 C -ATOM 1414 O TRP A 406 17.639 17.552 12.717 1.00 2.91 O -ATOM 1415 CB TRP A 406 20.125 18.414 11.280 1.00 2.00 C -ATOM 1416 CG TRP A 406 21.484 18.907 11.741 1.00 2.68 C -ATOM 1417 CD1 TRP A 406 21.731 19.678 12.831 1.00 3.97 C -ATOM 1418 CD2 TRP A 406 22.762 18.632 11.146 1.00 2.81 C -ATOM 1419 NE1 TRP A 406 23.067 19.976 12.919 1.00 2.00 N -ATOM 1420 CE2 TRP A 406 23.726 19.340 11.895 1.00 4.97 C -ATOM 1421 CE3 TRP A 406 23.177 17.907 10.025 1.00 2.00 C -ATOM 1422 CZ2 TRP A 406 25.086 19.306 11.589 1.00 2.00 C -ATOM 1423 CZ3 TRP A 406 24.528 17.884 9.704 1.00 2.00 C -ATOM 1424 CH2 TRP A 406 25.470 18.583 10.485 1.00 2.61 C -ATOM 1425 N THR A 407 17.729 16.153 10.948 1.00 2.00 N -ATOM 1426 CA THR A 407 16.301 16.106 10.725 1.00 2.00 C -ATOM 1427 C THR A 407 15.641 14.906 11.437 1.00 2.62 C -ATOM 1428 O THR A 407 16.148 13.790 11.412 1.00 3.56 O -ATOM 1429 CB THR A 407 16.010 16.130 9.189 1.00 2.00 C -ATOM 1430 OG1 THR A 407 16.658 17.275 8.634 1.00 2.00 O -ATOM 1431 CG2 THR A 407 14.486 16.201 8.848 1.00 2.00 C -ATOM 1432 N ALA A 408 14.486 15.149 12.044 1.00 2.09 N -ATOM 1433 CA ALA A 408 13.734 14.122 12.774 1.00 2.73 C -ATOM 1434 C ALA A 408 13.312 13.007 11.822 1.00 2.97 C -ATOM 1435 O ALA A 408 13.002 13.275 10.655 1.00 3.72 O -ATOM 1436 CB ALA A 408 12.449 14.765 13.449 1.00 2.00 C -ATOM 1437 N PRO A 409 13.280 11.759 12.311 1.00 3.06 N -ATOM 1438 CA PRO A 409 12.944 10.583 11.484 1.00 3.67 C -ATOM 1439 C PRO A 409 11.607 10.709 10.745 1.00 4.53 C -ATOM 1440 O PRO A 409 11.531 10.355 9.571 1.00 3.52 O -ATOM 1441 CB PRO A 409 12.835 9.458 12.519 1.00 3.83 C -ATOM 1442 CG PRO A 409 13.858 9.885 13.579 1.00 3.54 C -ATOM 1443 CD PRO A 409 13.760 11.368 13.652 1.00 3.37 C -ATOM 1444 N GLU A 410 10.589 11.277 11.403 1.00 5.20 N -ATOM 1445 CA GLU A 410 9.259 11.390 10.789 1.00 5.04 C -ATOM 1446 C GLU A 410 9.270 12.357 9.633 1.00 4.81 C -ATOM 1447 O GLU A 410 8.506 12.207 8.670 1.00 3.77 O -ATOM 1448 CB GLU A 410 8.178 11.771 11.807 1.00 4.93 C -ATOM 1449 CG GLU A 410 8.219 13.231 12.324 1.00 5.28 C -ATOM 1450 CD GLU A 410 9.157 13.444 13.532 1.00 2.37 C -ATOM 1451 OE1 GLU A 410 9.890 12.499 13.899 1.00 5.65 O -ATOM 1452 OE2 GLU A 410 9.099 14.532 14.160 1.00 2.36 O -ATOM 1453 N ALA A 411 10.149 13.346 9.705 1.00 5.15 N -ATOM 1454 CA ALA A 411 10.287 14.313 8.616 1.00 4.54 C -ATOM 1455 C ALA A 411 11.042 13.705 7.455 1.00 5.44 C -ATOM 1456 O ALA A 411 10.648 13.891 6.306 1.00 6.68 O -ATOM 1457 CB ALA A 411 10.967 15.603 9.097 1.00 4.16 C -ATOM 1458 N ILE A 412 12.132 12.993 7.743 1.00 5.04 N -ATOM 1459 CA ILE A 412 12.873 12.296 6.678 1.00 5.19 C -ATOM 1460 C ILE A 412 11.985 11.206 6.038 1.00 7.04 C -ATOM 1461 O ILE A 412 12.021 11.038 4.836 1.00 7.89 O -ATOM 1462 CB ILE A 412 14.126 11.585 7.212 1.00 4.91 C -ATOM 1463 CG1 ILE A 412 15.191 12.597 7.643 1.00 5.84 C -ATOM 1464 CG2 ILE A 412 14.715 10.577 6.144 1.00 4.36 C -ATOM 1465 CD1 ILE A 412 16.111 12.002 8.716 1.00 13.78 C -ATOM 1466 N ASN A 413 11.244 10.457 6.850 1.00 6.78 N -ATOM 1467 CA ASN A 413 10.453 9.321 6.359 1.00 9.30 C -ATOM 1468 C ASN A 413 9.120 9.670 5.651 1.00 9.74 C -ATOM 1469 O ASN A 413 8.758 9.020 4.658 1.00 10.73 O -ATOM 1470 CB ASN A 413 10.212 8.298 7.493 1.00 9.23 C -ATOM 1471 CG ASN A 413 11.491 7.541 7.870 1.00 10.30 C -ATOM 1472 OD1 ASN A 413 12.380 7.383 7.047 1.00 13.04 O -ATOM 1473 ND2 ASN A 413 11.600 7.136 9.118 1.00 10.02 N -ATOM 1474 N TYR A 414 8.421 10.682 6.173 1.00 8.80 N -ATOM 1475 CA TYR A 414 7.058 11.024 5.752 1.00 9.47 C -ATOM 1476 C TYR A 414 6.903 12.467 5.271 1.00 9.33 C -ATOM 1477 O TYR A 414 5.865 12.828 4.698 1.00 10.85 O -ATOM 1478 CB TYR A 414 6.083 10.789 6.888 1.00 8.28 C -ATOM 1479 CG TYR A 414 6.283 9.481 7.617 1.00 13.13 C -ATOM 1480 CD1 TYR A 414 6.517 8.275 6.925 1.00 15.82 C -ATOM 1481 CD2 TYR A 414 6.192 9.437 8.995 1.00 16.46 C -ATOM 1482 CE1 TYR A 414 6.699 7.062 7.624 1.00 17.88 C -ATOM 1483 CE2 TYR A 414 6.374 8.255 9.694 1.00 20.99 C -ATOM 1484 CZ TYR A 414 6.625 7.075 9.010 1.00 21.77 C -ATOM 1485 OH TYR A 414 6.796 5.936 9.759 1.00 22.56 O -ATOM 1486 N GLY A 415 7.932 13.278 5.478 1.00 7.16 N -ATOM 1487 CA GLY A 415 7.873 14.686 5.087 1.00 8.04 C -ATOM 1488 C GLY A 415 7.008 15.494 6.038 1.00 6.75 C -ATOM 1489 O GLY A 415 6.688 16.642 5.739 1.00 5.56 O -ATOM 1490 N THR A 416 6.648 14.906 7.188 1.00 5.08 N -ATOM 1491 CA THR A 416 5.760 15.560 8.135 1.00 5.99 C -ATOM 1492 C THR A 416 6.635 16.279 9.187 1.00 5.56 C -ATOM 1493 O THR A 416 7.448 15.624 9.881 1.00 5.75 O -ATOM 1494 CB THR A 416 4.855 14.534 8.841 1.00 6.73 C -ATOM 1495 OG1 THR A 416 5.672 13.463 9.337 1.00 11.72 O -ATOM 1496 CG2 THR A 416 3.828 13.952 7.904 1.00 8.58 C -ATOM 1497 N PHE A 417 6.527 17.613 9.236 1.00 3.73 N -ATOM 1498 CA PHE A 417 7.307 18.457 10.147 1.00 3.95 C -ATOM 1499 C PHE A 417 6.418 19.116 11.164 1.00 4.93 C -ATOM 1500 O PHE A 417 5.337 19.620 10.802 1.00 6.52 O -ATOM 1501 CB PHE A 417 7.945 19.600 9.376 1.00 2.62 C -ATOM 1502 CG PHE A 417 9.139 19.216 8.556 1.00 4.35 C -ATOM 1503 CD1 PHE A 417 8.986 18.756 7.253 1.00 2.00 C -ATOM 1504 CD2 PHE A 417 10.434 19.400 9.070 1.00 3.75 C -ATOM 1505 CE1 PHE A 417 10.096 18.428 6.508 1.00 2.21 C -ATOM 1506 CE2 PHE A 417 11.530 19.079 8.325 1.00 2.56 C -ATOM 1507 CZ PHE A 417 11.375 18.604 7.048 1.00 3.08 C -ATOM 1508 N THR A 418 6.846 19.153 12.423 1.00 4.80 N -ATOM 1509 CA THR A 418 6.067 19.867 13.443 1.00 5.61 C -ATOM 1510 C THR A 418 7.067 20.618 14.306 1.00 3.55 C -ATOM 1511 O THR A 418 8.254 20.558 14.041 1.00 4.49 O -ATOM 1512 CB THR A 418 5.162 18.938 14.343 1.00 5.88 C -ATOM 1513 OG1 THR A 418 5.990 18.195 15.214 1.00 9.34 O -ATOM 1514 CG2 THR A 418 4.275 17.958 13.535 1.00 6.91 C -ATOM 1515 N ILE A 419 6.619 21.347 15.320 1.00 3.27 N -ATOM 1516 CA ILE A 419 7.592 21.976 16.205 1.00 2.67 C -ATOM 1517 C ILE A 419 8.461 20.868 16.851 1.00 2.47 C -ATOM 1518 O ILE A 419 9.633 21.099 17.200 1.00 2.31 O -ATOM 1519 CB ILE A 419 6.902 22.904 17.252 1.00 4.34 C -ATOM 1520 CG1 ILE A 419 7.918 23.838 17.971 1.00 2.00 C -ATOM 1521 CG2 ILE A 419 6.023 22.075 18.240 1.00 2.00 C -ATOM 1522 CD1 ILE A 419 8.694 24.800 17.056 1.00 2.00 C -ATOM 1523 N LYS A 420 7.891 19.664 16.983 1.00 2.00 N -ATOM 1524 CA LYS A 420 8.563 18.536 17.654 1.00 2.00 C -ATOM 1525 C LYS A 420 9.735 18.043 16.779 1.00 2.00 C -ATOM 1526 O LYS A 420 10.694 17.493 17.300 1.00 2.00 O -ATOM 1527 CB LYS A 420 7.582 17.371 17.919 1.00 2.00 C -ATOM 1528 CG LYS A 420 6.442 17.710 18.902 1.00 2.00 C -ATOM 1529 CD LYS A 420 6.997 18.281 20.205 1.00 2.00 C -ATOM 1530 CE LYS A 420 5.901 18.263 21.323 1.00 4.25 C -ATOM 1531 NZ LYS A 420 6.329 19.005 22.517 1.00 2.00 N -ATOM 1532 N SER A 421 9.648 18.254 15.473 1.00 2.00 N -ATOM 1533 CA SER A 421 10.786 17.968 14.581 1.00 2.23 C -ATOM 1534 C SER A 421 11.904 18.956 14.861 1.00 2.00 C -ATOM 1535 O SER A 421 13.075 18.614 14.699 1.00 2.13 O -ATOM 1536 CB SER A 421 10.400 18.124 13.094 1.00 2.00 C -ATOM 1537 OG SER A 421 9.190 17.499 12.836 1.00 6.64 O -ATOM 1538 N ASP A 422 11.544 20.213 15.104 1.00 2.00 N -ATOM 1539 CA ASP A 422 12.525 21.212 15.431 1.00 2.00 C -ATOM 1540 C ASP A 422 13.144 20.839 16.769 1.00 2.24 C -ATOM 1541 O ASP A 422 14.328 21.059 16.984 1.00 2.00 O -ATOM 1542 CB ASP A 422 11.915 22.593 15.551 1.00 2.00 C -ATOM 1543 CG ASP A 422 11.674 23.263 14.212 1.00 2.00 C -ATOM 1544 OD1 ASP A 422 10.935 24.258 14.235 1.00 2.00 O -ATOM 1545 OD2 ASP A 422 12.183 22.800 13.168 1.00 2.00 O -ATOM 1546 N VAL A 423 12.340 20.282 17.672 1.00 2.00 N -ATOM 1547 CA VAL A 423 12.884 19.841 18.954 1.00 2.00 C -ATOM 1548 C VAL A 423 13.982 18.798 18.764 1.00 2.00 C -ATOM 1549 O VAL A 423 15.043 18.894 19.374 1.00 2.00 O -ATOM 1550 CB VAL A 423 11.772 19.331 19.917 1.00 2.56 C -ATOM 1551 CG1 VAL A 423 12.414 18.616 21.134 1.00 2.00 C -ATOM 1552 CG2 VAL A 423 10.903 20.499 20.357 1.00 2.00 C -ATOM 1553 N TRP A 424 13.748 17.844 17.874 1.00 2.00 N -ATOM 1554 CA TRP A 424 14.764 16.832 17.535 1.00 2.00 C -ATOM 1555 C TRP A 424 16.067 17.495 17.032 1.00 2.00 C -ATOM 1556 O TRP A 424 17.157 17.201 17.513 1.00 2.00 O -ATOM 1557 CB TRP A 424 14.223 15.854 16.478 1.00 2.00 C -ATOM 1558 CG TRP A 424 15.227 14.785 16.086 1.00 2.19 C -ATOM 1559 CD1 TRP A 424 16.354 14.964 15.338 1.00 2.00 C -ATOM 1560 CD2 TRP A 424 15.179 13.388 16.408 1.00 2.00 C -ATOM 1561 NE1 TRP A 424 17.025 13.778 15.193 1.00 2.00 N -ATOM 1562 CE2 TRP A 424 16.331 12.792 15.837 1.00 2.00 C -ATOM 1563 CE3 TRP A 424 14.270 12.579 17.122 1.00 4.01 C -ATOM 1564 CZ2 TRP A 424 16.629 11.434 15.984 1.00 2.00 C -ATOM 1565 CZ3 TRP A 424 14.550 11.211 17.255 1.00 4.60 C -ATOM 1566 CH2 TRP A 424 15.711 10.644 16.669 1.00 2.00 C -ATOM 1567 N SER A 425 15.939 18.396 16.077 1.00 2.00 N -ATOM 1568 CA SER A 425 17.064 19.145 15.558 1.00 2.00 C -ATOM 1569 C SER A 425 17.815 19.910 16.655 1.00 2.00 C -ATOM 1570 O SER A 425 19.049 19.956 16.653 1.00 2.00 O -ATOM 1571 CB SER A 425 16.581 20.132 14.499 1.00 2.00 C -ATOM 1572 OG SER A 425 15.864 19.437 13.497 1.00 2.00 O -ATOM 1573 N PHE A 426 17.061 20.511 17.579 1.00 2.00 N -ATOM 1574 CA PHE A 426 17.694 21.181 18.723 1.00 2.00 C -ATOM 1575 C PHE A 426 18.622 20.209 19.510 1.00 2.00 C -ATOM 1576 O PHE A 426 19.743 20.587 19.908 1.00 2.00 O -ATOM 1577 CB PHE A 426 16.648 21.847 19.634 1.00 2.00 C -ATOM 1578 CG PHE A 426 17.254 22.627 20.780 1.00 2.00 C -ATOM 1579 CD1 PHE A 426 17.875 23.856 20.552 1.00 2.00 C -ATOM 1580 CD2 PHE A 426 17.253 22.113 22.049 1.00 2.00 C -ATOM 1581 CE1 PHE A 426 18.458 24.580 21.620 1.00 2.25 C -ATOM 1582 CE2 PHE A 426 17.792 22.823 23.119 1.00 2.00 C -ATOM 1583 CZ PHE A 426 18.410 24.051 22.899 1.00 2.00 C -ATOM 1584 N GLY A 427 18.177 18.974 19.702 1.00 2.00 N -ATOM 1585 CA GLY A 427 19.009 17.983 20.366 1.00 2.00 C -ATOM 1586 C GLY A 427 20.351 17.814 19.639 1.00 2.00 C -ATOM 1587 O GLY A 427 21.408 17.763 20.272 1.00 2.00 O -ATOM 1588 N ILE A 428 20.305 17.680 18.315 1.00 2.00 N -ATOM 1589 CA ILE A 428 21.507 17.567 17.486 1.00 2.00 C -ATOM 1590 C ILE A 428 22.337 18.872 17.638 1.00 2.00 C -ATOM 1591 O ILE A 428 23.545 18.818 17.892 1.00 2.00 O -ATOM 1592 CB ILE A 428 21.148 17.325 16.004 1.00 2.00 C -ATOM 1593 CG1 ILE A 428 20.205 16.089 15.847 1.00 2.62 C -ATOM 1594 CG2 ILE A 428 22.406 17.169 15.156 1.00 2.00 C -ATOM 1595 CD1 ILE A 428 20.793 14.737 16.299 1.00 2.00 C -ATOM 1596 N LEU A 429 21.667 20.020 17.545 1.00 2.00 N -ATOM 1597 CA LEU A 429 22.357 21.313 17.728 1.00 2.23 C -ATOM 1598 C LEU A 429 23.144 21.357 19.024 1.00 2.00 C -ATOM 1599 O LEU A 429 24.249 21.879 19.038 1.00 2.00 O -ATOM 1600 CB LEU A 429 21.395 22.504 17.613 1.00 2.00 C -ATOM 1601 CG LEU A 429 21.939 23.922 17.407 1.00 5.59 C -ATOM 1602 CD1 LEU A 429 20.817 24.852 16.897 1.00 5.50 C -ATOM 1603 CD2 LEU A 429 22.487 24.501 18.708 1.00 7.38 C -ATOM 1604 N LEU A 430 22.566 20.833 20.110 1.00 2.00 N -ATOM 1605 CA LEU A 430 23.293 20.710 21.409 1.00 2.00 C -ATOM 1606 C LEU A 430 24.647 19.977 21.327 1.00 2.00 C -ATOM 1607 O LEU A 430 25.609 20.370 21.998 1.00 2.00 O -ATOM 1608 CB LEU A 430 22.420 20.033 22.470 1.00 2.00 C -ATOM 1609 CG LEU A 430 21.240 20.864 22.932 1.00 2.00 C -ATOM 1610 CD1 LEU A 430 20.402 20.021 23.902 1.00 2.00 C -ATOM 1611 CD2 LEU A 430 21.747 22.197 23.558 1.00 2.22 C -ATOM 1612 N THR A 431 24.696 18.892 20.557 1.00 2.00 N -ATOM 1613 CA THR A 431 25.970 18.175 20.309 1.00 2.00 C -ATOM 1614 C THR A 431 26.979 19.068 19.578 1.00 2.00 C -ATOM 1615 O THR A 431 28.167 19.043 19.901 1.00 2.00 O -ATOM 1616 CB THR A 431 25.827 16.806 19.569 1.00 2.00 C -ATOM 1617 OG1 THR A 431 25.523 17.021 18.201 1.00 2.00 O -ATOM 1618 CG2 THR A 431 24.733 15.904 20.204 1.00 2.00 C -ATOM 1619 N GLU A 432 26.499 19.894 18.639 1.00 2.00 N -ATOM 1620 CA GLU A 432 27.404 20.806 17.953 1.00 2.00 C -ATOM 1621 C GLU A 432 27.951 21.826 18.956 1.00 2.00 C -ATOM 1622 O GLU A 432 29.115 22.235 18.829 1.00 2.00 O -ATOM 1623 CB GLU A 432 26.725 21.559 16.800 1.00 2.00 C -ATOM 1624 CG GLU A 432 26.143 20.668 15.714 1.00 2.00 C -ATOM 1625 CD GLU A 432 25.435 21.479 14.657 1.00 2.20 C -ATOM 1626 OE1 GLU A 432 24.255 21.842 14.866 1.00 4.63 O -ATOM 1627 OE2 GLU A 432 26.098 21.853 13.671 1.00 4.39 O -ATOM 1628 N ILE A 433 27.119 22.271 19.901 1.00 2.00 N -ATOM 1629 CA ILE A 433 27.568 23.287 20.869 1.00 2.00 C -ATOM 1630 C ILE A 433 28.699 22.714 21.750 1.00 3.08 C -ATOM 1631 O ILE A 433 29.798 23.283 21.877 1.00 3.76 O -ATOM 1632 CB ILE A 433 26.382 23.865 21.719 1.00 2.00 C -ATOM 1633 CG1 ILE A 433 25.574 24.887 20.931 1.00 2.00 C -ATOM 1634 CG2 ILE A 433 26.876 24.519 23.029 1.00 2.00 C -ATOM 1635 CD1 ILE A 433 24.238 25.235 21.639 1.00 2.00 C -ATOM 1636 N VAL A 434 28.471 21.514 22.252 1.00 4.00 N -ATOM 1637 CA VAL A 434 29.372 20.948 23.240 1.00 4.67 C -ATOM 1638 C VAL A 434 30.662 20.413 22.566 1.00 5.27 C -ATOM 1639 O VAL A 434 31.696 20.256 23.238 1.00 5.53 O -ATOM 1640 CB VAL A 434 28.567 19.912 24.132 1.00 5.21 C -ATOM 1641 CG1 VAL A 434 28.528 18.547 23.506 1.00 2.00 C -ATOM 1642 CG2 VAL A 434 29.065 19.859 25.567 1.00 7.73 C -ATOM 1643 N THR A 435 30.618 20.144 21.249 1.00 3.75 N -ATOM 1644 CA THR A 435 31.804 19.632 20.548 1.00 3.34 C -ATOM 1645 C THR A 435 32.557 20.740 19.804 1.00 3.54 C -ATOM 1646 O THR A 435 33.436 20.479 18.959 1.00 2.85 O -ATOM 1647 CB THR A 435 31.483 18.482 19.556 1.00 4.36 C -ATOM 1648 OG1 THR A 435 30.618 18.958 18.492 1.00 3.03 O -ATOM 1649 CG2 THR A 435 30.858 17.308 20.289 1.00 2.00 C -ATOM 1650 N HIS A 436 32.181 21.972 20.093 1.00 2.44 N -ATOM 1651 CA HIS A 436 32.695 23.134 19.347 1.00 4.97 C -ATOM 1652 C HIS A 436 32.553 22.969 17.854 1.00 3.76 C -ATOM 1653 O HIS A 436 33.469 23.226 17.096 1.00 4.91 O -ATOM 1654 CB HIS A 436 34.127 23.491 19.780 1.00 5.97 C -ATOM 1655 CG HIS A 436 34.218 23.927 21.213 1.00 10.78 C -ATOM 1656 ND1 HIS A 436 34.134 25.253 21.599 1.00 14.21 N -ATOM 1657 CD2 HIS A 436 34.367 23.208 22.358 1.00 14.11 C -ATOM 1658 CE1 HIS A 436 34.191 25.326 22.923 1.00 13.50 C -ATOM 1659 NE2 HIS A 436 34.334 24.101 23.406 1.00 14.91 N -ATOM 1660 N GLY A 437 31.375 22.548 17.418 1.00 4.79 N -ATOM 1661 CA GLY A 437 31.062 22.560 15.996 1.00 4.90 C -ATOM 1662 C GLY A 437 31.366 21.303 15.209 1.00 6.35 C -ATOM 1663 O GLY A 437 31.299 21.322 13.989 1.00 8.57 O -ATOM 1664 N ARG A 438 31.648 20.196 15.884 1.00 5.96 N -ATOM 1665 CA ARG A 438 31.855 18.908 15.208 1.00 7.80 C -ATOM 1666 C ARG A 438 30.582 18.364 14.515 1.00 6.66 C -ATOM 1667 O ARG A 438 29.445 18.604 14.927 1.00 4.96 O -ATOM 1668 CB ARG A 438 32.438 17.872 16.206 1.00 8.45 C -ATOM 1669 CG ARG A 438 32.980 16.508 15.654 1.00 15.78 C -ATOM 1670 CD ARG A 438 33.329 15.466 16.814 1.00 18.52 C -ATOM 1671 NE ARG A 438 34.186 14.358 16.340 1.00 25.72 N -ATOM 1672 CZ ARG A 438 34.417 13.211 17.004 1.00 29.19 C -ATOM 1673 NH1 ARG A 438 33.850 12.965 18.190 1.00 30.35 N -ATOM 1674 NH2 ARG A 438 35.213 12.279 16.481 1.00 26.60 N -ATOM 1675 N ILE A 439 30.804 17.609 13.454 1.00 5.90 N -ATOM 1676 CA ILE A 439 29.745 16.907 12.760 1.00 4.44 C -ATOM 1677 C ILE A 439 29.115 15.841 13.664 1.00 3.32 C -ATOM 1678 O ILE A 439 29.846 15.051 14.310 1.00 2.00 O -ATOM 1679 CB ILE A 439 30.309 16.342 11.435 1.00 5.59 C -ATOM 1680 CG1 ILE A 439 30.697 17.531 10.519 1.00 7.16 C -ATOM 1681 CG2 ILE A 439 29.261 15.429 10.718 1.00 6.28 C -ATOM 1682 CD1 ILE A 439 31.531 17.159 9.318 1.00 13.77 C -ATOM 1683 N PRO A 440 27.764 15.847 13.769 1.00 2.50 N -ATOM 1684 CA PRO A 440 27.039 14.797 14.551 1.00 2.55 C -ATOM 1685 C PRO A 440 27.309 13.366 14.074 1.00 2.24 C -ATOM 1686 O PRO A 440 27.715 13.149 12.927 1.00 2.00 O -ATOM 1687 CB PRO A 440 25.541 15.134 14.353 1.00 2.00 C -ATOM 1688 CG PRO A 440 25.502 16.461 13.637 1.00 2.47 C -ATOM 1689 CD PRO A 440 26.848 16.744 13.034 1.00 2.00 C -ATOM 1690 N TYR A 441 27.102 12.410 14.980 1.00 3.02 N -ATOM 1691 CA TYR A 441 27.323 10.991 14.734 1.00 3.66 C -ATOM 1692 C TYR A 441 28.722 10.748 14.150 1.00 6.04 C -ATOM 1693 O TYR A 441 28.846 10.309 12.993 1.00 6.49 O -ATOM 1694 CB TYR A 441 26.242 10.397 13.813 1.00 2.71 C -ATOM 1695 CG TYR A 441 24.799 10.672 14.273 1.00 2.28 C -ATOM 1696 CD1 TYR A 441 24.125 9.776 15.141 1.00 2.00 C -ATOM 1697 CD2 TYR A 441 24.088 11.772 13.798 1.00 2.00 C -ATOM 1698 CE1 TYR A 441 22.801 9.988 15.552 1.00 2.00 C -ATOM 1699 CE2 TYR A 441 22.718 11.981 14.198 1.00 2.00 C -ATOM 1700 CZ TYR A 441 22.095 11.056 15.077 1.00 2.00 C -ATOM 1701 OH TYR A 441 20.772 11.227 15.489 1.00 2.00 O -ATOM 1702 N PRO A 442 29.772 11.002 14.961 1.00 7.19 N -ATOM 1703 CA PRO A 442 31.168 10.832 14.580 1.00 7.98 C -ATOM 1704 C PRO A 442 31.399 9.475 13.891 1.00 7.27 C -ATOM 1705 O PRO A 442 30.950 8.424 14.391 1.00 6.70 O -ATOM 1706 CB PRO A 442 31.890 10.858 15.936 1.00 7.61 C -ATOM 1707 CG PRO A 442 31.050 11.794 16.763 1.00 9.02 C -ATOM 1708 CD PRO A 442 29.639 11.601 16.306 1.00 7.56 C -ATOM 1709 N GLY A 443 32.042 9.515 12.731 1.00 7.25 N -ATOM 1710 CA GLY A 443 32.464 8.286 12.053 1.00 7.24 C -ATOM 1711 C GLY A 443 31.359 7.511 11.339 1.00 7.25 C -ATOM 1712 O GLY A 443 31.601 6.385 10.857 1.00 7.54 O -ATOM 1713 N MET A 444 30.164 8.099 11.242 1.00 5.13 N -ATOM 1714 CA MET A 444 29.023 7.398 10.649 1.00 4.76 C -ATOM 1715 C MET A 444 28.540 8.060 9.377 1.00 4.03 C -ATOM 1716 O MET A 444 28.402 9.284 9.301 1.00 2.53 O -ATOM 1717 CB MET A 444 27.844 7.252 11.643 1.00 5.39 C -ATOM 1718 CG MET A 444 28.245 6.623 13.001 1.00 3.21 C -ATOM 1719 SD MET A 444 26.987 6.543 14.303 1.00 7.11 S -ATOM 1720 CE MET A 444 25.591 5.863 13.459 1.00 9.55 C -ATOM 1721 N THR A 445 28.193 7.220 8.407 1.00 4.23 N -ATOM 1722 CA THR A 445 27.474 7.678 7.217 1.00 3.96 C -ATOM 1723 C THR A 445 25.985 7.848 7.492 1.00 3.22 C -ATOM 1724 O THR A 445 25.457 7.369 8.499 1.00 2.83 O -ATOM 1725 CB THR A 445 27.634 6.685 6.058 1.00 5.18 C -ATOM 1726 OG1 THR A 445 26.947 5.453 6.371 1.00 4.04 O -ATOM 1727 CG2 THR A 445 29.129 6.443 5.750 1.00 3.10 C -ATOM 1728 N ASN A 446 25.290 8.508 6.574 1.00 3.58 N -ATOM 1729 CA ASN A 446 23.841 8.612 6.681 1.00 4.22 C -ATOM 1730 C ASN A 446 23.057 7.301 6.797 1.00 4.29 C -ATOM 1731 O ASN A 446 22.201 7.194 7.673 1.00 5.18 O -ATOM 1732 CB ASN A 446 23.267 9.561 5.607 1.00 5.82 C -ATOM 1733 CG ASN A 446 23.633 11.017 5.878 1.00 5.27 C -ATOM 1734 OD1 ASN A 446 23.934 11.374 6.999 1.00 11.27 O -ATOM 1735 ND2 ASN A 446 23.628 11.848 4.849 1.00 9.24 N -ATOM 1736 N PRO A 447 23.322 6.308 5.911 1.00 3.90 N -ATOM 1737 CA PRO A 447 22.692 5.000 6.096 1.00 4.44 C -ATOM 1738 C PRO A 447 22.985 4.362 7.477 1.00 3.44 C -ATOM 1739 O PRO A 447 22.099 3.732 8.064 1.00 2.65 O -ATOM 1740 CB PRO A 447 23.297 4.158 4.950 1.00 3.78 C -ATOM 1741 CG PRO A 447 23.490 5.172 3.859 1.00 5.36 C -ATOM 1742 CD PRO A 447 24.107 6.348 4.654 1.00 3.68 C -ATOM 1743 N GLU A 448 24.189 4.538 8.012 1.00 2.69 N -ATOM 1744 CA GLU A 448 24.476 3.969 9.357 1.00 2.00 C -ATOM 1745 C GLU A 448 23.661 4.673 10.463 1.00 2.31 C -ATOM 1746 O GLU A 448 23.130 4.007 11.361 1.00 2.68 O -ATOM 1747 CB GLU A 448 25.951 4.066 9.673 1.00 2.00 C -ATOM 1748 CG GLU A 448 26.821 3.106 8.856 1.00 2.23 C -ATOM 1749 CD GLU A 448 28.294 3.282 9.174 1.00 5.21 C -ATOM 1750 OE1 GLU A 448 28.858 4.368 8.906 1.00 4.31 O -ATOM 1751 OE2 GLU A 448 28.896 2.327 9.706 1.00 9.65 O -ATOM 1752 N VAL A 449 23.552 6.008 10.364 1.00 2.55 N -ATOM 1753 CA VAL A 449 22.706 6.827 11.271 1.00 2.48 C -ATOM 1754 C VAL A 449 21.241 6.339 11.289 1.00 2.00 C -ATOM 1755 O VAL A 449 20.705 5.978 12.345 1.00 2.18 O -ATOM 1756 CB VAL A 449 22.784 8.327 10.913 1.00 2.00 C -ATOM 1757 CG1 VAL A 449 21.754 9.127 11.684 1.00 2.96 C -ATOM 1758 CG2 VAL A 449 24.178 8.898 11.227 1.00 3.64 C -ATOM 1759 N ILE A 450 20.646 6.204 10.109 1.00 2.07 N -ATOM 1760 CA ILE A 450 19.272 5.719 9.979 1.00 3.07 C -ATOM 1761 C ILE A 450 19.098 4.342 10.617 1.00 4.88 C -ATOM 1762 O ILE A 450 18.154 4.130 11.398 1.00 4.52 O -ATOM 1763 CB ILE A 450 18.840 5.701 8.512 1.00 3.70 C -ATOM 1764 CG1 ILE A 450 18.749 7.128 7.980 1.00 3.28 C -ATOM 1765 CG2 ILE A 450 17.488 4.963 8.290 1.00 3.55 C -ATOM 1766 CD1 ILE A 450 18.819 7.174 6.478 1.00 8.90 C -ATOM 1767 N GLN A 451 20.038 3.431 10.345 1.00 5.52 N -ATOM 1768 CA GLN A 451 19.976 2.055 10.866 1.00 6.74 C -ATOM 1769 C GLN A 451 20.175 1.975 12.403 1.00 5.59 C -ATOM 1770 O GLN A 451 19.462 1.260 13.104 1.00 4.79 O -ATOM 1771 CB GLN A 451 20.942 1.160 10.038 1.00 8.62 C -ATOM 1772 CG GLN A 451 22.069 0.393 10.747 1.00 16.45 C -ATOM 1773 CD GLN A 451 23.373 0.330 9.871 1.00 25.30 C -ATOM 1774 OE1 GLN A 451 23.309 0.338 8.615 1.00 25.40 O -ATOM 1775 NE2 GLN A 451 24.550 0.346 10.539 1.00 22.35 N -ATOM 1776 N ASN A 452 21.085 2.782 12.932 1.00 4.09 N -ATOM 1777 CA ASN A 452 21.286 2.860 14.363 1.00 3.54 C -ATOM 1778 C ASN A 452 20.034 3.376 15.071 1.00 2.82 C -ATOM 1779 O ASN A 452 19.583 2.791 16.054 1.00 3.71 O -ATOM 1780 CB ASN A 452 22.459 3.783 14.656 1.00 4.17 C -ATOM 1781 CG ASN A 452 23.778 3.046 14.812 1.00 9.64 C -ATOM 1782 OD1 ASN A 452 24.028 2.005 14.202 1.00 10.90 O -ATOM 1783 ND2 ASN A 452 24.654 3.617 15.639 1.00 17.98 N -ATOM 1784 N LEU A 453 19.449 4.454 14.569 1.00 2.79 N -ATOM 1785 CA LEU A 453 18.228 5.015 15.176 1.00 2.00 C -ATOM 1786 C LEU A 453 17.065 4.036 15.168 1.00 2.00 C -ATOM 1787 O LEU A 453 16.321 3.972 16.142 1.00 2.00 O -ATOM 1788 CB LEU A 453 17.807 6.308 14.470 1.00 2.00 C -ATOM 1789 CG LEU A 453 18.811 7.460 14.527 1.00 3.93 C -ATOM 1790 CD1 LEU A 453 18.390 8.591 13.568 1.00 3.12 C -ATOM 1791 CD2 LEU A 453 18.966 7.965 15.974 1.00 2.00 C -ATOM 1792 N GLU A 454 16.873 3.315 14.055 1.00 2.00 N -ATOM 1793 CA GLU A 454 15.835 2.283 13.950 1.00 3.31 C -ATOM 1794 C GLU A 454 16.041 1.129 14.949 1.00 3.30 C -ATOM 1795 O GLU A 454 15.082 0.486 15.380 1.00 4.68 O -ATOM 1796 CB GLU A 454 15.714 1.796 12.465 1.00 4.65 C -ATOM 1797 CG GLU A 454 15.107 2.903 11.568 1.00 9.49 C -ATOM 1798 CD GLU A 454 14.928 2.542 10.089 1.00 13.43 C -ATOM 1799 OE1 GLU A 454 15.412 1.495 9.628 1.00 16.42 O -ATOM 1800 OE2 GLU A 454 14.300 3.356 9.393 1.00 14.85 O -ATOM 1801 N ARG A 455 17.281 0.874 15.363 1.00 3.26 N -ATOM 1802 CA ARG A 455 17.534 -0.141 16.389 1.00 3.89 C -ATOM 1803 C ARG A 455 17.211 0.426 17.773 1.00 3.05 C -ATOM 1804 O ARG A 455 17.260 -0.288 18.737 1.00 3.09 O -ATOM 1805 CB ARG A 455 19.017 -0.574 16.409 1.00 2.73 C -ATOM 1806 CG ARG A 455 19.523 -1.136 15.126 1.00 7.47 C -ATOM 1807 CD ARG A 455 20.900 -1.721 15.271 1.00 7.26 C -ATOM 1808 NE ARG A 455 20.882 -2.916 16.109 1.00 6.57 N -ATOM 1809 CZ ARG A 455 21.984 -3.556 16.502 1.00 7.61 C -ATOM 1810 NH1 ARG A 455 23.184 -3.103 16.129 1.00 3.27 N -ATOM 1811 NH2 ARG A 455 21.889 -4.655 17.259 1.00 3.25 N -ATOM 1812 N GLY A 456 16.996 1.731 17.882 1.00 3.65 N -ATOM 1813 CA GLY A 456 16.794 2.351 19.204 1.00 2.03 C -ATOM 1814 C GLY A 456 18.044 2.980 19.777 1.00 2.50 C -ATOM 1815 O GLY A 456 18.046 3.443 20.909 1.00 3.01 O -ATOM 1816 N TYR A 457 19.144 2.960 19.035 1.00 2.49 N -ATOM 1817 CA TYR A 457 20.348 3.676 19.503 1.00 2.42 C -ATOM 1818 C TYR A 457 20.142 5.153 19.221 1.00 2.28 C -ATOM 1819 O TYR A 457 19.291 5.505 18.399 1.00 3.71 O -ATOM 1820 CB TYR A 457 21.589 3.234 18.752 1.00 2.45 C -ATOM 1821 CG TYR A 457 22.059 1.821 19.005 1.00 3.76 C -ATOM 1822 CD1 TYR A 457 21.602 1.081 20.091 1.00 3.58 C -ATOM 1823 CD2 TYR A 457 23.032 1.262 18.189 1.00 2.00 C -ATOM 1824 CE1 TYR A 457 22.079 -0.230 20.330 1.00 2.00 C -ATOM 1825 CE2 TYR A 457 23.493 -0.045 18.398 1.00 6.45 C -ATOM 1826 CZ TYR A 457 23.054 -0.770 19.488 1.00 6.10 C -ATOM 1827 OH TYR A 457 23.579 -2.052 19.677 1.00 2.74 O -ATOM 1828 N ARG A 458 20.809 6.013 19.989 1.00 2.43 N -ATOM 1829 CA ARG A 458 20.890 7.447 19.680 1.00 2.12 C -ATOM 1830 C ARG A 458 22.361 7.790 19.544 1.00 2.25 C -ATOM 1831 O ARG A 458 23.233 6.914 19.703 1.00 2.00 O -ATOM 1832 CB ARG A 458 20.212 8.292 20.781 1.00 2.00 C -ATOM 1833 CG ARG A 458 18.639 8.058 20.880 1.00 2.00 C -ATOM 1834 CD ARG A 458 17.945 8.451 19.565 1.00 2.00 C -ATOM 1835 NE ARG A 458 16.487 8.363 19.632 1.00 2.00 N -ATOM 1836 CZ ARG A 458 15.745 7.384 19.117 1.00 4.08 C -ATOM 1837 NH1 ARG A 458 16.329 6.324 18.530 1.00 2.00 N -ATOM 1838 NH2 ARG A 458 14.405 7.448 19.240 1.00 2.00 N -ATOM 1839 N MET A 459 22.668 9.060 19.301 1.00 2.00 N -ATOM 1840 CA MET A 459 24.082 9.433 19.169 1.00 2.00 C -ATOM 1841 C MET A 459 24.850 9.035 20.427 1.00 2.00 C -ATOM 1842 O MET A 459 24.377 9.252 21.552 1.00 2.00 O -ATOM 1843 CB MET A 459 24.250 10.939 18.947 1.00 2.00 C -ATOM 1844 CG MET A 459 25.606 11.315 18.378 1.00 2.00 C -ATOM 1845 SD MET A 459 25.776 13.124 18.112 1.00 2.00 S -ATOM 1846 CE MET A 459 24.347 13.398 17.114 1.00 2.00 C -ATOM 1847 N VAL A 460 26.021 8.432 20.230 1.00 2.00 N -ATOM 1848 CA VAL A 460 26.994 8.218 21.293 1.00 2.14 C -ATOM 1849 C VAL A 460 27.314 9.528 22.047 1.00 2.47 C -ATOM 1850 O VAL A 460 27.390 10.615 21.445 1.00 2.04 O -ATOM 1851 CB VAL A 460 28.283 7.579 20.709 1.00 3.67 C -ATOM 1852 CG1 VAL A 460 29.412 7.603 21.691 1.00 2.26 C -ATOM 1853 CG2 VAL A 460 27.983 6.107 20.238 1.00 4.71 C -ATOM 1854 N ARG A 461 27.414 9.424 23.369 1.00 3.00 N -ATOM 1855 CA ARG A 461 27.799 10.547 24.235 1.00 4.73 C -ATOM 1856 C ARG A 461 29.015 11.255 23.688 1.00 5.62 C -ATOM 1857 O ARG A 461 30.050 10.614 23.539 1.00 6.16 O -ATOM 1858 CB ARG A 461 28.184 10.023 25.625 1.00 4.79 C -ATOM 1859 CG ARG A 461 27.045 9.447 26.407 1.00 2.00 C -ATOM 1860 CD ARG A 461 27.499 9.010 27.807 1.00 2.00 C -ATOM 1861 NE ARG A 461 26.329 8.746 28.632 1.00 2.00 N -ATOM 1862 CZ ARG A 461 25.676 7.592 28.651 1.00 2.49 C -ATOM 1863 NH1 ARG A 461 26.113 6.574 27.929 1.00 5.60 N -ATOM 1864 NH2 ARG A 461 24.619 7.420 29.453 1.00 2.97 N -ATOM 1865 N PRO A 462 28.874 12.549 23.306 1.00 6.29 N -ATOM 1866 CA PRO A 462 30.048 13.310 22.819 1.00 6.73 C -ATOM 1867 C PRO A 462 31.095 13.393 23.904 1.00 8.15 C -ATOM 1868 O PRO A 462 30.749 13.337 25.084 1.00 7.04 O -ATOM 1869 CB PRO A 462 29.477 14.708 22.535 1.00 6.85 C -ATOM 1870 CG PRO A 462 28.017 14.472 22.262 1.00 6.42 C -ATOM 1871 CD PRO A 462 27.606 13.278 23.090 1.00 5.12 C -ATOM 1872 N ASP A 463 32.371 13.495 23.508 1.00 11.32 N -ATOM 1873 CA ASP A 463 33.470 13.713 24.460 1.00 11.88 C -ATOM 1874 C ASP A 463 33.145 14.956 25.275 1.00 11.63 C -ATOM 1875 O ASP A 463 32.622 15.952 24.717 1.00 10.47 O -ATOM 1876 CB ASP A 463 34.796 13.925 23.708 1.00 13.93 C -ATOM 1877 CG ASP A 463 35.343 12.622 23.084 1.00 18.52 C -ATOM 1878 OD1 ASP A 463 34.734 11.538 23.259 1.00 20.77 O -ATOM 1879 OD2 ASP A 463 36.383 12.682 22.393 1.00 24.16 O -ATOM 1880 N ASN A 464 33.364 14.866 26.590 1.00 11.96 N -ATOM 1881 CA ASN A 464 33.201 16.025 27.497 1.00 12.89 C -ATOM 1882 C ASN A 464 31.808 16.670 27.522 1.00 11.78 C -ATOM 1883 O ASN A 464 31.655 17.904 27.638 1.00 13.68 O -ATOM 1884 CB ASN A 464 34.246 17.075 27.145 1.00 13.46 C -ATOM 1885 CG ASN A 464 35.638 16.521 27.245 1.00 18.73 C -ATOM 1886 OD1 ASN A 464 36.011 15.948 28.282 1.00 22.49 O -ATOM 1887 ND2 ASN A 464 36.378 16.578 26.141 1.00 18.42 N -ATOM 1888 N CYS A 465 30.796 15.848 27.340 1.00 9.42 N -ATOM 1889 CA CYS A 465 29.399 16.300 27.460 1.00 7.18 C -ATOM 1890 C CYS A 465 28.924 15.970 28.901 1.00 6.64 C -ATOM 1891 O CYS A 465 29.029 14.827 29.317 1.00 5.33 O -ATOM 1892 CB CYS A 465 28.559 15.535 26.427 1.00 5.76 C -ATOM 1893 SG CYS A 465 26.870 16.049 26.383 1.00 5.43 S -ATOM 1894 N PRO A 466 28.467 16.979 29.671 1.00 5.91 N -ATOM 1895 CA PRO A 466 27.851 16.689 30.952 1.00 5.93 C -ATOM 1896 C PRO A 466 26.678 15.714 30.742 1.00 6.35 C -ATOM 1897 O PRO A 466 25.906 15.843 29.771 1.00 4.25 O -ATOM 1898 CB PRO A 466 27.311 18.062 31.422 1.00 6.73 C -ATOM 1899 CG PRO A 466 28.162 19.066 30.731 1.00 6.95 C -ATOM 1900 CD PRO A 466 28.476 18.428 29.376 1.00 5.72 C -ATOM 1901 N GLU A 467 26.593 14.703 31.609 1.00 5.36 N -ATOM 1902 CA GLU A 467 25.560 13.701 31.461 1.00 4.98 C -ATOM 1903 C GLU A 467 24.158 14.327 31.512 1.00 4.66 C -ATOM 1904 O GLU A 467 23.255 13.892 30.801 1.00 3.52 O -ATOM 1905 CB GLU A 467 25.709 12.616 32.511 1.00 4.00 C -ATOM 1906 CG GLU A 467 24.635 11.547 32.380 1.00 3.51 C -ATOM 1907 CD GLU A 467 24.748 10.732 31.105 1.00 3.87 C -ATOM 1908 OE1 GLU A 467 25.778 10.863 30.374 1.00 3.29 O -ATOM 1909 OE2 GLU A 467 23.847 9.897 30.883 1.00 2.00 O -ATOM 1910 N GLU A 468 24.008 15.404 32.277 1.00 3.52 N -ATOM 1911 CA GLU A 468 22.721 16.110 32.346 1.00 4.36 C -ATOM 1912 C GLU A 468 22.265 16.600 30.999 1.00 3.50 C -ATOM 1913 O GLU A 468 21.071 16.510 30.629 1.00 3.73 O -ATOM 1914 CB GLU A 468 22.801 17.329 33.274 1.00 4.99 C -ATOM 1915 CG GLU A 468 22.941 16.964 34.688 1.00 5.36 C -ATOM 1916 CD GLU A 468 23.234 18.174 35.525 1.00 10.09 C -ATOM 1917 OE1 GLU A 468 22.263 18.799 36.041 1.00 4.01 O -ATOM 1918 OE2 GLU A 468 24.439 18.495 35.651 1.00 11.34 O -ATOM 1919 N LEU A 469 23.205 17.206 30.304 1.00 2.45 N -ATOM 1920 CA LEU A 469 22.939 17.727 28.973 1.00 2.25 C -ATOM 1921 C LEU A 469 22.677 16.544 28.023 1.00 2.00 C -ATOM 1922 O LEU A 469 21.813 16.621 27.135 1.00 2.00 O -ATOM 1923 CB LEU A 469 24.119 18.593 28.483 1.00 2.00 C -ATOM 1924 CG LEU A 469 23.915 19.335 27.139 1.00 2.04 C -ATOM 1925 CD1 LEU A 469 22.767 20.362 27.272 1.00 4.17 C -ATOM 1926 CD2 LEU A 469 25.183 20.047 26.695 1.00 2.00 C -ATOM 1927 N TYR A 470 23.433 15.450 28.203 1.00 2.00 N -ATOM 1928 CA TYR A 470 23.232 14.283 27.351 1.00 2.00 C -ATOM 1929 C TYR A 470 21.787 13.790 27.531 1.00 2.00 C -ATOM 1930 O TYR A 470 21.090 13.469 26.565 1.00 2.00 O -ATOM 1931 CB TYR A 470 24.253 13.163 27.615 1.00 2.00 C -ATOM 1932 CG TYR A 470 24.104 11.974 26.650 1.00 2.00 C -ATOM 1933 CD1 TYR A 470 24.274 12.142 25.283 1.00 2.00 C -ATOM 1934 CD2 TYR A 470 23.754 10.696 27.120 1.00 2.00 C -ATOM 1935 CE1 TYR A 470 24.095 11.090 24.386 1.00 2.00 C -ATOM 1936 CE2 TYR A 470 23.599 9.615 26.234 1.00 2.00 C -ATOM 1937 CZ TYR A 470 23.765 9.835 24.863 1.00 2.00 C -ATOM 1938 OH TYR A 470 23.608 8.796 23.947 1.00 3.02 O -ATOM 1939 N GLN A 471 21.317 13.768 28.768 1.00 2.00 N -ATOM 1940 CA GLN A 471 19.956 13.264 28.986 1.00 2.00 C -ATOM 1941 C GLN A 471 18.914 14.244 28.414 1.00 2.00 C -ATOM 1942 O GLN A 471 17.861 13.840 27.953 1.00 2.00 O -ATOM 1943 CB GLN A 471 19.715 12.981 30.457 1.00 2.00 C -ATOM 1944 CG GLN A 471 20.353 11.673 30.940 1.00 2.00 C -ATOM 1945 CD GLN A 471 20.069 10.492 30.022 1.00 2.18 C -ATOM 1946 OE1 GLN A 471 18.935 10.286 29.590 1.00 2.00 O -ATOM 1947 NE2 GLN A 471 21.107 9.711 29.713 1.00 2.00 N -ATOM 1948 N LEU A 472 19.240 15.535 28.405 1.00 2.00 N -ATOM 1949 CA LEU A 472 18.359 16.494 27.788 1.00 2.00 C -ATOM 1950 C LEU A 472 18.285 16.274 26.254 1.00 2.00 C -ATOM 1951 O LEU A 472 17.202 16.346 25.669 1.00 2.00 O -ATOM 1952 CB LEU A 472 18.803 17.917 28.128 1.00 2.00 C -ATOM 1953 CG LEU A 472 17.720 18.967 27.851 1.00 2.31 C -ATOM 1954 CD1 LEU A 472 16.494 18.766 28.803 1.00 2.00 C -ATOM 1955 CD2 LEU A 472 18.354 20.382 27.940 1.00 2.00 C -ATOM 1956 N MET A 473 19.438 16.036 25.607 1.00 2.00 N -ATOM 1957 CA MET A 473 19.465 15.628 24.181 1.00 2.00 C -ATOM 1958 C MET A 473 18.531 14.415 23.919 1.00 2.00 C -ATOM 1959 O MET A 473 17.806 14.380 22.908 1.00 2.00 O -ATOM 1960 CB MET A 473 20.887 15.217 23.777 1.00 2.00 C -ATOM 1961 CG MET A 473 21.899 16.369 23.742 1.00 4.19 C -ATOM 1962 SD MET A 473 23.583 15.751 23.751 1.00 2.00 S -ATOM 1963 CE MET A 473 24.538 17.265 23.754 1.00 2.00 C -ATOM 1964 N ARG A 474 18.652 13.387 24.772 1.00 2.00 N -ATOM 1965 CA ARG A 474 17.835 12.163 24.646 1.00 2.00 C -ATOM 1966 C ARG A 474 16.328 12.439 24.696 1.00 2.00 C -ATOM 1967 O ARG A 474 15.554 11.816 23.945 1.00 2.68 O -ATOM 1968 CB ARG A 474 18.243 11.089 25.688 1.00 2.00 C -ATOM 1969 CG ARG A 474 19.626 10.501 25.472 1.00 2.66 C -ATOM 1970 CD ARG A 474 19.871 9.270 26.359 1.00 6.13 C -ATOM 1971 NE ARG A 474 19.039 8.150 25.909 1.00 5.52 N -ATOM 1972 CZ ARG A 474 17.928 7.729 26.521 1.00 8.60 C -ATOM 1973 NH1 ARG A 474 17.578 8.250 27.695 1.00 4.69 N -ATOM 1974 NH2 ARG A 474 17.188 6.759 25.968 1.00 6.68 N -ATOM 1975 N LEU A 475 15.893 13.369 25.547 1.00 2.00 N -ATOM 1976 CA LEU A 475 14.474 13.802 25.545 1.00 2.00 C -ATOM 1977 C LEU A 475 14.068 14.364 24.169 1.00 2.00 C -ATOM 1978 O LEU A 475 12.993 14.062 23.665 1.00 2.00 O -ATOM 1979 CB LEU A 475 14.210 14.892 26.589 1.00 2.91 C -ATOM 1980 CG LEU A 475 14.389 14.650 28.109 1.00 2.54 C -ATOM 1981 CD1 LEU A 475 13.710 15.810 28.884 1.00 2.00 C -ATOM 1982 CD2 LEU A 475 13.816 13.277 28.544 1.00 4.19 C -ATOM 1983 N CYS A 476 14.943 15.181 23.580 1.00 2.00 N -ATOM 1984 CA CYS A 476 14.729 15.714 22.233 1.00 2.00 C -ATOM 1985 C CYS A 476 14.622 14.587 21.190 1.00 2.00 C -ATOM 1986 O CYS A 476 14.024 14.777 20.149 1.00 2.78 O -ATOM 1987 CB CYS A 476 15.888 16.637 21.844 1.00 2.00 C -ATOM 1988 SG CYS A 476 15.939 18.134 22.820 1.00 2.00 S -ATOM 1989 N TRP A 477 15.234 13.432 21.473 1.00 2.00 N -ATOM 1990 CA TRP A 477 15.282 12.365 20.521 1.00 2.00 C -ATOM 1991 C TRP A 477 14.309 11.231 20.783 1.00 3.13 C -ATOM 1992 O TRP A 477 14.473 10.150 20.217 1.00 3.94 O -ATOM 1993 CB TRP A 477 16.708 11.831 20.372 1.00 2.00 C -ATOM 1994 CG TRP A 477 17.747 12.889 19.983 1.00 2.00 C -ATOM 1995 CD1 TRP A 477 17.563 13.981 19.158 1.00 2.00 C -ATOM 1996 CD2 TRP A 477 19.132 12.882 20.342 1.00 2.00 C -ATOM 1997 NE1 TRP A 477 18.754 14.674 19.026 1.00 2.60 N -ATOM 1998 CE2 TRP A 477 19.730 14.007 19.733 1.00 2.35 C -ATOM 1999 CE3 TRP A 477 19.925 12.035 21.139 1.00 3.36 C -ATOM 2000 CZ2 TRP A 477 21.084 14.309 19.893 1.00 2.00 C -ATOM 2001 CZ3 TRP A 477 21.262 12.342 21.295 1.00 2.27 C -ATOM 2002 CH2 TRP A 477 21.819 13.485 20.691 1.00 2.55 C -ATOM 2003 N LYS A 478 13.313 11.456 21.645 1.00 3.79 N -ATOM 2004 CA LYS A 478 12.237 10.479 21.805 1.00 4.63 C -ATOM 2005 C LYS A 478 11.634 10.018 20.479 1.00 4.31 C -ATOM 2006 O LYS A 478 11.511 10.773 19.501 1.00 2.35 O -ATOM 2007 CB LYS A 478 11.170 10.964 22.812 1.00 3.58 C -ATOM 2008 CG LYS A 478 11.732 10.881 24.268 1.00 7.76 C -ATOM 2009 CD LYS A 478 10.667 10.877 25.330 1.00 10.11 C -ATOM 2010 CE LYS A 478 11.013 9.875 26.391 1.00 15.79 C -ATOM 2011 NZ LYS A 478 11.534 10.541 27.600 1.00 19.04 N -ATOM 2012 N GLU A 479 11.281 8.746 20.457 1.00 5.70 N -ATOM 2013 CA GLU A 479 10.718 8.099 19.283 1.00 5.80 C -ATOM 2014 C GLU A 479 9.416 8.792 18.825 1.00 5.69 C -ATOM 2015 O GLU A 479 9.307 9.229 17.682 1.00 6.67 O -ATOM 2016 CB GLU A 479 10.460 6.625 19.646 1.00 6.90 C -ATOM 2017 CG GLU A 479 9.969 5.777 18.484 1.00 9.00 C -ATOM 2018 CD GLU A 479 11.035 5.573 17.413 1.00 12.06 C -ATOM 2019 OE1 GLU A 479 12.210 5.991 17.630 1.00 9.80 O -ATOM 2020 OE2 GLU A 479 10.707 4.965 16.366 1.00 15.09 O -ATOM 2021 N ARG A 480 8.445 8.940 19.725 1.00 4.98 N -ATOM 2022 CA ARG A 480 7.174 9.640 19.377 1.00 5.31 C -ATOM 2023 C ARG A 480 7.331 11.167 19.495 1.00 4.07 C -ATOM 2024 O ARG A 480 7.736 11.648 20.551 1.00 2.42 O -ATOM 2025 CB ARG A 480 6.012 9.152 20.286 1.00 6.39 C -ATOM 2026 CG ARG A 480 5.815 7.587 20.303 1.00 9.48 C -ATOM 2027 CD ARG A 480 4.402 7.152 20.803 1.00 13.93 C -ATOM 2028 NE ARG A 480 4.116 7.763 22.097 1.00 22.91 N -ATOM 2029 CZ ARG A 480 2.900 7.944 22.607 1.00 28.67 C -ATOM 2030 NH1 ARG A 480 1.829 7.546 21.921 1.00 32.16 N -ATOM 2031 NH2 ARG A 480 2.750 8.533 23.799 1.00 26.38 N -ATOM 2032 N PRO A 481 7.043 11.930 18.406 1.00 3.50 N -ATOM 2033 CA PRO A 481 7.158 13.394 18.458 1.00 4.48 C -ATOM 2034 C PRO A 481 6.468 13.983 19.675 1.00 5.11 C -ATOM 2035 O PRO A 481 7.049 14.827 20.353 1.00 3.75 O -ATOM 2036 CB PRO A 481 6.422 13.849 17.184 1.00 5.41 C -ATOM 2037 CG PRO A 481 6.705 12.749 16.220 1.00 4.61 C -ATOM 2038 CD PRO A 481 6.638 11.472 17.065 1.00 3.05 C -ATOM 2039 N GLU A 482 5.256 13.508 19.988 1.00 5.94 N -ATOM 2040 CA GLU A 482 4.486 14.080 21.112 1.00 7.20 C -ATOM 2041 C GLU A 482 5.155 13.864 22.474 1.00 6.87 C -ATOM 2042 O GLU A 482 4.824 14.549 23.452 1.00 6.15 O -ATOM 2043 CB GLU A 482 3.061 13.521 21.139 1.00 8.11 C -ATOM 2044 CG GLU A 482 3.024 12.017 21.387 1.00 13.37 C -ATOM 2045 CD GLU A 482 2.898 11.182 20.092 1.00 18.73 C -ATOM 2046 OE1 GLU A 482 3.439 11.551 19.000 1.00 10.16 O -ATOM 2047 OE2 GLU A 482 2.241 10.129 20.198 1.00 19.30 O -ATOM 2048 N ASP A 483 6.072 12.899 22.564 1.00 6.44 N -ATOM 2049 CA ASP A 483 6.792 12.703 23.815 1.00 5.92 C -ATOM 2050 C ASP A 483 7.949 13.665 23.998 1.00 4.24 C -ATOM 2051 O ASP A 483 8.486 13.771 25.094 1.00 2.88 O -ATOM 2052 CB ASP A 483 7.306 11.273 23.917 1.00 7.56 C -ATOM 2053 CG ASP A 483 6.186 10.274 24.062 1.00 10.02 C -ATOM 2054 OD1 ASP A 483 5.108 10.672 24.575 1.00 8.08 O -ATOM 2055 OD2 ASP A 483 6.396 9.109 23.659 1.00 7.78 O -ATOM 2056 N ARG A 484 8.370 14.333 22.919 1.00 3.86 N -ATOM 2057 CA ARG A 484 9.489 15.300 23.000 1.00 2.12 C -ATOM 2058 C ARG A 484 9.042 16.576 23.740 1.00 2.39 C -ATOM 2059 O ARG A 484 7.890 16.925 23.672 1.00 2.00 O -ATOM 2060 CB ARG A 484 10.032 15.614 21.593 1.00 2.69 C -ATOM 2061 CG ARG A 484 10.379 14.355 20.792 1.00 2.00 C -ATOM 2062 CD ARG A 484 10.793 14.692 19.363 1.00 5.42 C -ATOM 2063 NE ARG A 484 10.836 13.453 18.598 1.00 2.00 N -ATOM 2064 CZ ARG A 484 10.672 13.380 17.288 1.00 4.67 C -ATOM 2065 NH1 ARG A 484 10.501 14.512 16.563 1.00 2.00 N -ATOM 2066 NH2 ARG A 484 10.661 12.168 16.695 1.00 2.76 N -ATOM 2067 N PRO A 485 9.954 17.242 24.495 1.00 2.00 N -ATOM 2068 CA PRO A 485 9.528 18.380 25.303 1.00 2.00 C -ATOM 2069 C PRO A 485 9.221 19.606 24.446 1.00 2.00 C -ATOM 2070 O PRO A 485 9.599 19.649 23.268 1.00 2.32 O -ATOM 2071 CB PRO A 485 10.764 18.684 26.171 1.00 2.00 C -ATOM 2072 CG PRO A 485 11.894 18.182 25.361 1.00 2.00 C -ATOM 2073 CD PRO A 485 11.372 16.940 24.688 1.00 2.00 C -ATOM 2074 N THR A 486 8.610 20.599 25.080 1.00 2.00 N -ATOM 2075 CA THR A 486 8.420 21.927 24.504 1.00 2.86 C -ATOM 2076 C THR A 486 9.718 22.740 24.528 1.00 2.59 C -ATOM 2077 O THR A 486 10.606 22.475 25.321 1.00 2.00 O -ATOM 2078 CB THR A 486 7.327 22.730 25.279 1.00 3.16 C -ATOM 2079 OG1 THR A 486 7.790 23.042 26.594 1.00 3.33 O -ATOM 2080 CG2 THR A 486 6.021 21.905 25.404 1.00 5.30 C -ATOM 2081 N PHE A 487 9.811 23.774 23.691 1.00 2.00 N -ATOM 2082 CA PHE A 487 10.993 24.625 23.753 1.00 2.00 C -ATOM 2083 C PHE A 487 11.000 25.494 25.018 1.00 2.27 C -ATOM 2084 O PHE A 487 12.069 25.836 25.548 1.00 2.00 O -ATOM 2085 CB PHE A 487 11.111 25.485 22.488 1.00 2.00 C -ATOM 2086 CG PHE A 487 11.757 24.775 21.356 1.00 2.00 C -ATOM 2087 CD1 PHE A 487 13.131 24.506 21.377 1.00 2.00 C -ATOM 2088 CD2 PHE A 487 11.014 24.414 20.227 1.00 2.00 C -ATOM 2089 CE1 PHE A 487 13.761 23.852 20.289 1.00 2.00 C -ATOM 2090 CE2 PHE A 487 11.633 23.772 19.134 1.00 2.00 C -ATOM 2091 CZ PHE A 487 12.994 23.496 19.161 1.00 2.00 C -ATOM 2092 N ASP A 488 9.803 25.831 25.511 1.00 2.21 N -ATOM 2093 CA ASP A 488 9.759 26.521 26.789 1.00 5.04 C -ATOM 2094 C ASP A 488 10.344 25.667 27.932 1.00 3.94 C -ATOM 2095 O ASP A 488 11.071 26.180 28.784 1.00 4.93 O -ATOM 2096 CB ASP A 488 8.334 26.987 27.135 1.00 6.39 C -ATOM 2097 CG ASP A 488 8.327 27.938 28.326 1.00 12.16 C -ATOM 2098 OD1 ASP A 488 9.021 28.977 28.259 1.00 15.91 O -ATOM 2099 OD2 ASP A 488 7.677 27.614 29.337 1.00 19.99 O -ATOM 2100 N TYR A 489 10.071 24.364 27.914 1.00 3.76 N -ATOM 2101 CA TYR A 489 10.675 23.453 28.910 1.00 4.56 C -ATOM 2102 C TYR A 489 12.201 23.421 28.733 1.00 3.72 C -ATOM 2103 O TYR A 489 12.951 23.557 29.697 1.00 4.17 O -ATOM 2104 CB TYR A 489 10.098 22.032 28.764 1.00 3.76 C -ATOM 2105 CG TYR A 489 10.731 21.011 29.672 1.00 4.20 C -ATOM 2106 CD1 TYR A 489 10.266 20.838 30.992 1.00 4.54 C -ATOM 2107 CD2 TYR A 489 11.840 20.266 29.251 1.00 4.41 C -ATOM 2108 CE1 TYR A 489 10.843 19.888 31.829 1.00 9.22 C -ATOM 2109 CE2 TYR A 489 12.434 19.323 30.085 1.00 4.84 C -ATOM 2110 CZ TYR A 489 11.942 19.134 31.368 1.00 7.19 C -ATOM 2111 OH TYR A 489 12.526 18.182 32.193 1.00 6.37 O -ATOM 2112 N LEU A 490 12.648 23.263 27.479 1.00 3.53 N -ATOM 2113 CA LEU A 490 14.069 23.207 27.183 1.00 2.70 C -ATOM 2114 C LEU A 490 14.771 24.482 27.676 1.00 2.21 C -ATOM 2115 O LEU A 490 15.808 24.400 28.345 1.00 2.09 O -ATOM 2116 CB LEU A 490 14.303 22.981 25.685 1.00 2.00 C -ATOM 2117 CG LEU A 490 13.970 21.583 25.161 1.00 2.94 C -ATOM 2118 CD1 LEU A 490 13.895 21.621 23.622 1.00 2.72 C -ATOM 2119 CD2 LEU A 490 14.981 20.531 25.652 1.00 4.35 C -ATOM 2120 N ARG A 491 14.180 25.643 27.393 1.00 2.00 N -ATOM 2121 CA ARG A 491 14.728 26.927 27.847 1.00 2.71 C -ATOM 2122 C ARG A 491 14.907 26.922 29.373 1.00 2.63 C -ATOM 2123 O ARG A 491 15.976 27.265 29.920 1.00 2.72 O -ATOM 2124 CB ARG A 491 13.778 28.106 27.471 1.00 2.14 C -ATOM 2125 CG ARG A 491 14.348 29.458 27.977 1.00 4.90 C -ATOM 2126 CD ARG A 491 13.306 30.571 28.152 1.00 11.06 C -ATOM 2127 NE ARG A 491 12.097 30.083 28.810 1.00 16.57 N -ATOM 2128 CZ ARG A 491 11.889 30.051 30.125 1.00 16.62 C -ATOM 2129 NH1 ARG A 491 12.808 30.527 30.965 1.00 15.66 N -ATOM 2130 NH2 ARG A 491 10.730 29.576 30.590 1.00 11.90 N -ATOM 2131 N SER A 492 13.820 26.559 30.047 1.00 2.94 N -ATOM 2132 CA SER A 492 13.768 26.550 31.503 1.00 3.46 C -ATOM 2133 C SER A 492 14.874 25.659 32.068 1.00 3.09 C -ATOM 2134 O SER A 492 15.574 26.009 33.050 1.00 2.14 O -ATOM 2135 CB SER A 492 12.434 25.939 31.924 1.00 4.97 C -ATOM 2136 OG SER A 492 12.121 26.295 33.249 1.00 12.12 O -ATOM 2137 N VAL A 493 14.981 24.463 31.506 1.00 2.32 N -ATOM 2138 CA VAL A 493 15.971 23.527 32.010 1.00 2.00 C -ATOM 2139 C VAL A 493 17.388 24.082 31.784 1.00 2.00 C -ATOM 2140 O VAL A 493 18.255 24.041 32.675 1.00 2.00 O -ATOM 2141 CB VAL A 493 15.797 22.147 31.358 1.00 2.75 C -ATOM 2142 CG1 VAL A 493 16.989 21.210 31.692 1.00 2.00 C -ATOM 2143 CG2 VAL A 493 14.447 21.544 31.777 1.00 2.00 C -ATOM 2144 N LEU A 494 17.639 24.570 30.574 1.00 2.10 N -ATOM 2145 CA LEU A 494 18.967 25.048 30.252 1.00 3.73 C -ATOM 2146 C LEU A 494 19.367 26.275 31.107 1.00 3.73 C -ATOM 2147 O LEU A 494 20.524 26.397 31.519 1.00 2.35 O -ATOM 2148 CB LEU A 494 19.113 25.277 28.732 1.00 4.18 C -ATOM 2149 CG LEU A 494 19.133 24.029 27.841 1.00 2.00 C -ATOM 2150 CD1 LEU A 494 18.796 24.419 26.359 1.00 2.00 C -ATOM 2151 CD2 LEU A 494 20.515 23.340 27.936 1.00 2.00 C -ATOM 2152 N GLU A 495 18.409 27.156 31.418 1.00 4.10 N -ATOM 2153 CA GLU A 495 18.707 28.247 32.349 1.00 4.22 C -ATOM 2154 C GLU A 495 19.126 27.723 33.739 1.00 4.80 C -ATOM 2155 O GLU A 495 20.058 28.248 34.337 1.00 3.61 O -ATOM 2156 CB GLU A 495 17.549 29.253 32.431 1.00 5.50 C -ATOM 2157 CG GLU A 495 17.445 30.127 31.166 1.00 7.10 C -ATOM 2158 CD GLU A 495 16.216 31.028 31.152 1.00 14.33 C -ATOM 2159 OE1 GLU A 495 15.566 31.191 32.208 1.00 15.81 O -ATOM 2160 OE2 GLU A 495 15.904 31.602 30.086 1.00 13.37 O -ATOM 2161 N ASP A 496 18.482 26.657 34.210 1.00 4.29 N -ATOM 2162 CA ASP A 496 18.841 26.002 35.471 1.00 5.27 C -ATOM 2163 C ASP A 496 20.243 25.407 35.392 1.00 5.53 C -ATOM 2164 O ASP A 496 21.027 25.554 36.340 1.00 6.00 O -ATOM 2165 CB ASP A 496 17.797 24.915 35.869 1.00 3.72 C -ATOM 2166 CG ASP A 496 16.522 25.522 36.489 1.00 6.49 C -ATOM 2167 OD1 ASP A 496 16.564 26.710 36.858 1.00 7.97 O -ATOM 2168 OD2 ASP A 496 15.465 24.843 36.576 1.00 2.00 O -ATOM 2169 N PHE A 497 20.568 24.779 34.250 1.00 4.16 N -ATOM 2170 CA PHE A 497 21.881 24.157 34.040 1.00 5.45 C -ATOM 2171 C PHE A 497 22.939 25.265 34.110 1.00 7.51 C -ATOM 2172 O PHE A 497 23.963 25.131 34.787 1.00 6.14 O -ATOM 2173 CB PHE A 497 21.952 23.437 32.667 1.00 3.32 C -ATOM 2174 CG PHE A 497 21.273 22.081 32.616 1.00 2.66 C -ATOM 2175 CD1 PHE A 497 20.513 21.600 33.687 1.00 2.00 C -ATOM 2176 CD2 PHE A 497 21.353 21.303 31.453 1.00 2.00 C -ATOM 2177 CE1 PHE A 497 19.874 20.324 33.613 1.00 2.00 C -ATOM 2178 CE2 PHE A 497 20.708 20.042 31.358 1.00 2.00 C -ATOM 2179 CZ PHE A 497 19.976 19.554 32.461 1.00 2.00 C -ATOM 2180 N PHE A 498 22.627 26.386 33.464 1.00 9.85 N -ATOM 2181 CA PHE A 498 23.519 27.551 33.395 1.00 13.76 C -ATOM 2182 C PHE A 498 23.771 28.223 34.775 1.00 15.47 C -ATOM 2183 O PHE A 498 24.906 28.532 35.132 1.00 15.14 O -ATOM 2184 CB PHE A 498 23.001 28.498 32.281 1.00 13.66 C -ATOM 2185 CG PHE A 498 23.410 29.920 32.417 1.00 16.76 C -ATOM 2186 CD1 PHE A 498 24.750 30.281 32.458 1.00 14.85 C -ATOM 2187 CD2 PHE A 498 22.441 30.920 32.379 1.00 21.07 C -ATOM 2188 CE1 PHE A 498 25.121 31.608 32.564 1.00 15.90 C -ATOM 2189 CE2 PHE A 498 22.799 32.263 32.471 1.00 20.01 C -ATOM 2190 CZ PHE A 498 24.152 32.602 32.553 1.00 19.28 C -ATOM 2191 N THR A 499 22.738 28.380 35.586 1.00 18.18 N -ATOM 2192 CA THR A 499 22.938 29.065 36.863 1.00 20.94 C -ATOM 2193 C THR A 499 23.583 28.141 37.901 1.00 22.70 C -ATOM 2194 O THR A 499 24.279 28.596 38.800 1.00 23.05 O -ATOM 2195 CB THR A 499 21.661 29.742 37.400 1.00 20.65 C -ATOM 2196 OG1 THR A 499 20.582 28.810 37.409 1.00 21.70 O -ATOM 2197 CG2 THR A 499 21.271 30.958 36.537 1.00 22.90 C -ATOM 2198 N ALA A 500 23.379 26.837 37.735 1.00 24.45 N -ATOM 2199 CA ALA A 500 23.967 25.826 38.614 1.00 26.25 C -ATOM 2200 C ALA A 500 25.471 25.743 38.367 1.00 28.13 C -ATOM 2201 O ALA A 500 26.215 25.177 39.180 1.00 29.07 O -ATOM 2202 CB ALA A 500 23.326 24.469 38.336 1.00 25.51 C -ATOM 2203 N THR A 501 25.893 26.261 37.212 1.00 28.79 N -ATOM 2204 CA THR A 501 27.286 26.183 36.750 1.00 30.14 C -ATOM 2205 C THR A 501 27.963 27.577 36.782 1.00 30.40 C -ATOM 2206 O THR A 501 27.513 28.493 37.489 1.00 30.20 O -ATOM 2207 CB THR A 501 27.379 25.540 35.319 1.00 30.35 C -ATOM 2208 OG1 THR A 501 28.753 25.315 34.967 1.00 34.81 O -ATOM 2209 CG2 THR A 501 26.768 26.444 34.269 1.00 26.64 C -ATOM 2210 N GLU A 502 28.973 27.837 36.104 1.00 30.71 N -TER 2211 GLU A 502 -HETATM 2212 S SO4 A 510 20.279 40.984 22.461 1.00 4.89 S -HETATM 2213 O1 SO4 A 510 21.028 41.980 23.229 1.00 2.00 O -HETATM 2214 O2 SO4 A 510 19.201 40.453 23.270 1.00 10.66 O -HETATM 2215 O3 SO4 A 510 21.154 39.894 22.091 1.00 2.00 O -HETATM 2216 O4 SO4 A 510 19.694 41.567 21.281 1.00 5.29 O -HETATM 2217 S SO4 A 511 11.316 18.179 35.682 1.00 18.05 S -HETATM 2218 O1 SO4 A 511 11.346 19.122 36.811 1.00 20.64 O -HETATM 2219 O2 SO4 A 511 9.932 18.179 35.202 1.00 19.92 O -HETATM 2220 O3 SO4 A 511 11.783 16.842 36.154 1.00 19.10 O -HETATM 2221 O4 SO4 A 511 12.256 18.653 34.626 1.00 11.94 O -HETATM 2222 S DMS A 512 10.187 49.162 -6.586 1.00 44.92 S -HETATM 2223 O DMS A 512 10.631 50.213 -7.998 1.00 43.60 O -HETATM 2224 C1 DMS A 512 9.858 47.465 -7.158 1.00 42.82 C -HETATM 2225 C2 DMS A 512 11.581 48.972 -5.442 1.00 43.36 C -HETATM 2226 C1 MPD A 513 22.161 16.513 3.421 1.00 36.45 C -HETATM 2227 C2 MPD A 513 22.940 15.545 4.328 1.00 34.83 C -HETATM 2228 O2 MPD A 513 22.013 14.566 4.867 1.00 30.89 O -HETATM 2229 CM MPD A 513 23.995 14.797 3.512 1.00 35.67 C -HETATM 2230 C3 MPD A 513 23.580 16.403 5.431 1.00 29.47 C -HETATM 2231 C4 MPD A 513 24.221 15.669 6.578 1.00 26.68 C -HETATM 2232 O4 MPD A 513 23.261 15.020 7.373 1.00 21.29 O -HETATM 2233 C5 MPD A 513 25.317 14.728 6.105 1.00 29.57 C -HETATM 2234 C1 KSE A 514 26.457 37.021 8.741 1.00 21.26 C -HETATM 2235 N2 KSE A 514 26.689 36.022 7.856 1.00 25.02 N -HETATM 2236 N3 KSE A 514 25.411 35.802 7.289 1.00 26.94 N -HETATM 2237 C4 KSE A 514 24.406 36.572 7.716 1.00 25.16 C -HETATM 2238 C5 KSE A 514 25.052 37.444 8.702 1.00 22.16 C -HETATM 2239 C6 KSE A 514 25.173 34.893 6.341 1.00 32.97 C -HETATM 2240 C7 KSE A 514 23.870 34.786 5.838 1.00 34.42 C -HETATM 2241 C8 KSE A 514 22.846 35.618 6.322 1.00 32.93 C -HETATM 2242 N9 KSE A 514 23.130 36.535 7.272 1.00 28.98 N -HETATM 2243 C11 KSE A 514 21.440 35.486 5.791 1.00 33.85 C -HETATM 2244 N15 KSE A 514 26.171 34.096 5.884 1.00 39.16 N -HETATM 2245 C16 KSE A 514 26.506 32.858 6.572 1.00 44.33 C -HETATM 2246 C17 KSE A 514 27.843 32.338 6.049 1.00 47.65 C -HETATM 2247 N20 KSE A 514 28.372 31.376 7.025 1.00 48.39 N -HETATM 2248 C21 KSE A 514 28.858 33.479 5.888 1.00 46.68 C -HETATM 2249 C25 KSE A 514 27.597 31.628 4.714 1.00 47.78 C -HETATM 2250 N32 KSE A 514 27.366 37.607 9.544 1.00 23.22 N -HETATM 2251 C33 KSE A 514 28.683 37.271 9.517 1.00 23.23 C -HETATM 2252 C34 KSE A 514 29.516 37.876 10.451 1.00 23.00 C -HETATM 2253 C35 KSE A 514 30.874 37.547 10.475 1.00 24.02 C -HETATM 2254 C36 KSE A 514 31.405 36.627 9.565 1.00 22.75 C -HETATM 2255 C37 KSE A 514 30.580 36.012 8.628 1.00 26.48 C -HETATM 2256 C38 KSE A 514 29.214 36.346 8.598 1.00 22.53 C -HETATM 2257 C42 KSE A 514 24.383 38.473 9.514 1.00 18.00 C -HETATM 2258 O43 KSE A 514 25.174 39.203 10.078 1.00 13.75 O -HETATM 2259 N44 KSE A 514 23.034 38.551 9.597 1.00 18.50 N -HETATM 2260 O48 KSE A 514 31.694 38.102 11.422 1.00 23.28 O -HETATM 2261 O49 KSE A 514 31.117 35.083 7.760 1.00 30.00 O -HETATM 2262 C50 KSE A 514 32.439 35.214 7.218 1.00 29.13 C -HETATM 2263 C54 KSE A 514 32.698 37.271 12.026 1.00 23.75 C -HETATM 2264 O HOH A 1 20.551 10.783 18.298 1.00 2.00 O -HETATM 2265 O HOH A 2 19.432 12.734 13.848 1.00 2.00 O -HETATM 2266 O HOH A 3 14.771 21.831 12.311 1.00 2.00 O -HETATM 2267 O HOH A 4 26.822 42.050 16.592 1.00 2.00 O -HETATM 2268 O HOH A 5 13.447 39.596 15.146 1.00 2.00 O -HETATM 2269 O HOH A 6 22.705 8.588 32.821 1.00 2.00 O -HETATM 2270 O HOH A 7 17.843 11.642 11.758 1.00 2.00 O -HETATM 2271 O HOH A 8 21.729 43.958 16.706 1.00 2.00 O -HETATM 2272 O HOH A 9 14.015 28.141 8.001 1.00 3.28 O -HETATM 2273 O HOH A 10 21.224 7.443 24.095 1.00 4.85 O -HETATM 2274 O HOH A 11 18.808 21.312 8.398 1.00 5.54 O -HETATM 2275 O HOH A 12 16.598 15.009 30.950 1.00 2.36 O -HETATM 2276 O HOH A 13 23.405 53.273 13.869 1.00 2.00 O -HETATM 2277 O HOH A 14 19.686 18.033 36.154 1.00 2.00 O -HETATM 2278 O HOH A 15 15.362 19.465 9.981 1.00 2.00 O -HETATM 2279 O HOH A 16 29.060 38.890 26.750 1.00 2.28 O -HETATM 2280 O HOH A 17 17.524 41.821 24.900 1.00 2.05 O -HETATM 2281 O HOH A 18 25.068 53.851 3.354 1.00 2.55 O -HETATM 2282 O HOH A 19 23.473 44.600 14.398 1.00 2.00 O -HETATM 2283 O HOH A 20 26.976 33.803 30.509 1.00 2.47 O -HETATM 2284 O HOH A 21 25.250 23.351 11.555 1.00 2.00 O -HETATM 2285 O HOH A 22 17.701 39.739 -8.160 1.00 6.67 O -HETATM 2286 O HOH A 23 22.593 58.880 8.611 1.00 3.35 O -HETATM 2287 O HOH A 24 26.219 49.959 13.438 1.00 2.02 O -HETATM 2288 O HOH A 25 13.623 18.351 12.012 1.00 2.00 O -HETATM 2289 O HOH A 26 16.488 21.307 6.798 1.00 2.00 O -HETATM 2290 O HOH A 27 15.114 34.033 0.521 1.00 4.23 O -HETATM 2291 O HOH A 28 27.364 44.420 16.464 1.00 3.39 O -HETATM 2292 O HOH A 29 7.728 19.701 27.707 1.00 2.00 O -HETATM 2293 O HOH A 30 3.023 16.815 23.456 1.00 8.67 O -HETATM 2294 O HOH A 31 17.897 20.913 10.990 1.00 3.74 O -HETATM 2295 O HOH A 32 26.912 8.225 17.291 1.00 3.81 O -HETATM 2296 O HOH A 33 23.959 41.837 16.963 1.00 2.22 O -HETATM 2297 O HOH A 34 6.161 16.349 25.789 1.00 15.75 O -HETATM 2298 O HOH A 35 32.341 13.668 20.423 1.00 9.32 O -HETATM 2299 O HOH A 36 6.641 28.352 23.564 1.00 6.83 O -HETATM 2300 O HOH A 37 33.015 33.592 14.061 1.00 6.04 O -HETATM 2301 O HOH A 38 29.129 11.292 19.490 1.00 4.34 O -HETATM 2302 O HOH A 39 17.303 31.953 28.230 1.00 2.00 O -HETATM 2303 O HOH A 40 4.856 26.103 16.368 1.00 11.46 O -HETATM 2304 O HOH A 41 22.268 45.618 12.353 1.00 2.91 O -HETATM 2305 O HOH A 42 6.475 33.833 3.420 1.00 10.93 O -HETATM 2306 O HOH A 43 12.116 40.429 11.599 1.00 2.00 O -HETATM 2307 O HOH A 44 28.331 20.566 12.734 1.00 4.04 O -HETATM 2308 O HOH A 45 30.028 15.272 16.936 1.00 2.00 O -HETATM 2309 O HOH A 46 16.759 40.775 16.998 1.00 2.00 O -HETATM 2310 O HOH A 47 23.309 30.834 -2.543 1.00 10.86 O -HETATM 2311 O HOH A 48 16.647 11.525 29.036 1.00 5.23 O -HETATM 2312 O HOH A 49 34.343 35.596 15.358 1.00 11.30 O -HETATM 2313 O HOH A 50 13.565 50.369 -3.147 1.00 2.43 O -HETATM 2314 O HOH A 51 3.714 21.898 15.515 1.00 6.09 O -HETATM 2315 O HOH A 52 14.597 48.629 10.062 1.00 10.67 O -HETATM 2316 O HOH A 53 12.850 38.198 12.434 1.00 7.47 O -HETATM 2317 O HOH A 54 15.879 37.604 24.963 1.00 6.66 O -HETATM 2318 O HOH A 55 30.074 13.761 19.321 1.00 8.00 O -HETATM 2319 O HOH A 56 15.252 54.967 3.650 1.00 6.96 O -HETATM 2320 O HOH A 57 16.379 9.426 10.551 1.00 5.34 O -HETATM 2321 O HOH A 58 16.016 40.169 26.250 1.00 9.38 O -HETATM 2322 O HOH A 59 28.232 17.313 17.033 1.00 2.00 O -HETATM 2323 O HOH A 60 20.156 2.504 6.338 1.00 10.05 O -HETATM 2324 O HOH A 61 27.301 22.994 9.715 1.00 11.06 O -HETATM 2325 O HOH A 62 38.765 34.959 18.205 1.00 5.78 O -HETATM 2326 O HOH A 63 -1.577 52.512 -2.862 1.00 5.30 O -HETATM 2327 O HOH A 64 8.085 45.974 -0.432 1.00 14.70 O -HETATM 2328 O HOH A 65 17.144 44.770 11.450 1.00 6.56 O -HETATM 2329 O HOH A 66 4.694 25.259 24.907 1.00 7.04 O -HETATM 2330 O HOH A 67 6.642 21.720 21.391 1.00 9.60 O -HETATM 2331 O HOH A 68 9.885 21.480 12.063 1.00 8.59 O -HETATM 2332 O HOH A 69 4.203 18.934 24.256 1.00 9.29 O -HETATM 2333 O HOH A 70 30.524 32.745 10.261 1.00 4.62 O -HETATM 2334 O HOH A 71 -2.157 30.735 13.877 1.00 14.30 O -HETATM 2335 O HOH A 72 28.473 14.458 33.400 1.00 7.99 O -HETATM 2336 O HOH A 73 18.351 35.293 8.831 1.00 9.56 O -HETATM 2337 O HOH A 74 16.392 27.605 5.527 1.00 8.03 O -HETATM 2338 O HOH A 75 22.579 41.488 19.298 1.00 10.25 O -HETATM 2339 O HOH A 76 15.461 35.542 -10.305 1.00 8.90 O -HETATM 2340 O HOH A 77 8.490 8.174 22.612 1.00 6.73 O -HETATM 2341 O HOH A 78 15.632 51.500 -4.947 1.00 9.87 O -HETATM 2342 O HOH A 79 13.022 42.320 16.240 1.00 15.84 O -HETATM 2343 O HOH A 80 26.546 9.803 4.311 1.00 8.34 O -HETATM 2344 O HOH A 81 25.714 16.851 34.322 1.00 11.63 O -HETATM 2345 O HOH A 82 36.090 35.095 17.216 1.00 10.86 O -HETATM 2346 O HOH A 83 14.293 4.358 17.619 1.00 4.95 O -HETATM 2347 O HOH A 84 33.259 31.366 28.974 1.00 9.32 O -HETATM 2348 O HOH A 85 28.680 20.923 10.123 1.00 13.23 O -HETATM 2349 O HOH A 86 25.664 20.673 33.905 1.00 10.42 O -HETATM 2350 O HOH A 87 11.643 44.545 15.327 1.00 12.54 O -HETATM 2351 O HOH A 88 35.685 29.583 12.148 1.00 16.01 O -HETATM 2352 O HOH A 89 8.148 19.860 -0.412 1.00 14.24 O -HETATM 2353 O HOH A 90 30.458 44.152 22.807 1.00 8.28 O -HETATM 2354 O HOH A 91 16.706 27.536 3.015 1.00 14.38 O -HETATM 2355 O HOH A 92 22.361 21.222 37.053 1.00 7.59 O -HETATM 2356 O HOH A 93 27.893 12.323 29.144 1.00 12.70 O -HETATM 2357 O HOH A 94 11.584 40.505 22.330 1.00 11.32 O -HETATM 2358 O HOH A 95 21.061 23.631 6.063 1.00 8.15 O -HETATM 2359 O HOH A 96 24.839 6.387 17.182 1.00 4.58 O -HETATM 2360 O HOH A 97 9.963 31.587 4.501 1.00 9.74 O -HETATM 2361 O HOH A 98 10.600 33.099 24.222 1.00 7.60 O -HETATM 2362 O HOH A 99 23.857 42.070 21.933 1.00 19.28 O -HETATM 2363 O HOH A 100 41.515 29.668 22.398 1.00 27.37 O -HETATM 2364 O HOH A 101 1.238 33.527 14.349 1.00 11.92 O -HETATM 2365 O HOH A 102 18.271 -1.179 11.910 1.00 11.82 O -HETATM 2366 O HOH A 103 12.587 4.171 14.724 1.00 12.09 O -HETATM 2367 O HOH A 104 13.841 -0.395 17.648 1.00 2.00 O -HETATM 2368 O HOH A 105 13.332 42.972 19.226 1.00 12.10 O -HETATM 2369 O HOH A 106 14.938 9.957 27.616 1.00 13.38 O -HETATM 2370 O HOH A 107 15.652 6.576 11.544 1.00 8.10 O -HETATM 2371 O HOH A 108 14.967 8.110 9.071 1.00 14.68 O -HETATM 2372 O HOH A 109 13.248 7.502 15.815 1.00 16.80 O -HETATM 2373 O HOH A 110 24.394 48.385 -4.031 1.00 13.54 O -HETATM 2374 O HOH A 111 15.706 38.523 -9.600 1.00 17.26 O -HETATM 2375 O HOH A 112 29.524 7.750 16.585 1.00 10.66 O -HETATM 2376 O HOH A 113 10.192 14.634 26.994 1.00 13.03 O -HETATM 2377 O HOH A 114 25.467 27.866 -3.463 1.00 17.44 O -HETATM 2378 O HOH A 115 40.753 34.716 22.175 1.00 23.15 O -HETATM 2379 O HOH A 116 17.350 21.755 4.252 1.00 10.39 O -HETATM 2380 O HOH A 117 27.526 53.450 13.810 1.00 12.48 O -HETATM 2381 O HOH A 118 1.298 20.882 4.269 1.00 19.41 O -HETATM 2382 O HOH A 119 12.293 52.760 -2.995 1.00 13.24 O -HETATM 2383 O HOH A 120 20.094 39.456 5.075 1.00 7.05 O -HETATM 2384 O HOH A 121 29.775 54.121 5.271 1.00 16.21 O -HETATM 2385 O HOH A 122 12.440 29.202 -7.156 1.00 18.39 O -HETATM 2386 O HOH A 123 0.814 28.687 20.317 1.00 16.07 O -HETATM 2387 O HOH A 124 28.000 54.779 3.514 1.00 13.32 O -HETATM 2388 O HOH A 125 5.988 23.954 28.302 1.00 10.97 O -HETATM 2389 O HOH A 126 24.376 55.139 1.074 1.00 11.35 O -HETATM 2390 O HOH A 127 4.490 45.759 5.398 1.00 26.80 O -HETATM 2391 O HOH A 128 10.822 9.158 15.834 1.00 10.41 O -HETATM 2392 O HOH A 129 23.102 27.578 6.525 1.00 19.06 O -HETATM 2393 O HOH A 130 29.150 4.891 16.763 1.00 14.49 O -HETATM 2394 O HOH A 131 11.532 27.124 0.797 1.00 9.65 O -HETATM 2395 O HOH A 132 26.053 19.134 37.820 1.00 8.13 O -HETATM 2396 O HOH A 133 7.698 55.145 -0.960 1.00 9.96 O -HETATM 2397 O HOH A 134 34.410 24.463 30.899 1.00 13.45 O -HETATM 2398 O HOH A 135 15.568 35.470 28.994 1.00 16.09 O -HETATM 2399 O HOH A 136 18.989 36.968 5.108 1.00 28.39 O -HETATM 2400 O HOH A 137 8.281 52.841 0.072 1.00 24.59 O -HETATM 2401 O HOH A 138 29.064 32.182 31.034 1.00 15.82 O -HETATM 2402 O HOH A 139 26.643 12.752 7.936 1.00 37.39 O -HETATM 2403 O HOH A 140 14.699 27.595 1.693 1.00 17.75 O -HETATM 2404 O HOH A 141 17.313 57.376 -3.344 1.00 20.67 O -HETATM 2405 O HOH A 142 7.105 36.326 -1.977 1.00 22.76 O -HETATM 2406 O HOH A 143 12.421 1.521 14.385 1.00 15.34 O -HETATM 2407 O HOH A 144 32.908 25.821 10.368 1.00 16.81 O -HETATM 2408 O HOH A 145 3.534 33.641 7.410 1.00 20.22 O -HETATM 2409 O HOH A 146 20.276 43.293 19.352 1.00 15.84 O -HETATM 2410 O HOH A 147 24.504 22.485 35.774 1.00 16.90 O -HETATM 2411 O HOH A 148 11.088 14.559 3.710 1.00 24.24 O -HETATM 2412 O HOH A 149 18.182 24.243 4.078 1.00 16.36 O -HETATM 2413 O HOH A 150 24.670 20.263 31.667 1.00 12.16 O -HETATM 2414 O HOH A 151 14.602 28.146 34.714 1.00 19.07 O -HETATM 2415 O HOH A 152 27.754 49.591 -2.672 1.00 13.62 O -HETATM 2416 O HOH A 153 34.736 18.161 17.024 1.00 27.90 O -HETATM 2417 O HOH A 154 6.601 39.169 -2.250 1.00 18.65 O -HETATM 2418 O HOH A 155 31.751 7.894 18.441 1.00 13.59 O -HETATM 2419 O HOH A 156 6.231 13.812 1.516 1.00 19.47 O -HETATM 2420 O HOH A 157 11.245 33.246 28.039 1.00 21.75 O -HETATM 2421 O HOH A 158 39.300 25.434 16.068 1.00 15.63 O -HETATM 2422 O HOH A 159 34.572 41.942 -0.411 1.00 19.04 O -HETATM 2423 O HOH A 160 32.617 20.792 26.112 1.00 16.30 O -HETATM 2424 O HOH A 161 8.331 40.006 20.179 1.00 16.38 O -HETATM 2425 O HOH A 162 32.297 34.029 27.733 1.00 23.05 O -HETATM 2426 O HOH A 163 6.549 21.408 29.853 1.00 17.16 O -HETATM 2427 O HOH A 164 15.919 54.033 -5.480 1.00 18.59 O -HETATM 2428 O HOH A 165 26.307 34.941 32.836 1.00 19.73 O -HETATM 2429 O HOH A 166 4.346 30.149 6.083 1.00 13.67 O -HETATM 2430 O HOH A 167 5.264 35.599 1.001 1.00 21.75 O -HETATM 2431 O HOH A 168 31.835 43.620 16.541 1.00 25.26 O -HETATM 2432 O HOH A 169 25.846 24.058 6.732 1.00 21.82 O -HETATM 2433 O HOH A 170 27.318 16.274 7.619 1.00 27.71 O -HETATM 2434 O HOH A 171 33.012 41.589 17.424 1.00 28.97 O -HETATM 2435 O HOH A 172 20.865 36.879 8.596 1.00 16.74 O -HETATM 2436 O HOH A 173 15.659 57.426 2.199 1.00 17.11 O -HETATM 2437 O HOH A 174 11.914 20.574 11.718 1.00 21.57 O -HETATM 2438 O HOH A 175 32.251 13.856 13.222 1.00 16.57 O -HETATM 2439 O HOH A 176 7.760 17.666 37.650 1.00 23.97 O -HETATM 2440 O HOH A 177 20.348 34.430 -2.208 1.00 21.17 O -HETATM 2441 O HOH A 178 24.453 43.698 -5.754 1.00 20.24 O -HETATM 2442 O HOH A 179 36.958 20.029 17.468 1.00 24.72 O -HETATM 2443 O HOH A 180 33.615 17.450 12.438 1.00 20.05 O -HETATM 2444 O HOH A 181 31.601 8.411 24.567 1.00 24.17 O -HETATM 2445 O HOH A 182 16.567 35.527 7.189 1.00 19.82 O -HETATM 2446 O HOH A 183 3.605 23.996 23.440 1.00 18.82 O -HETATM 2447 O HOH A 184 33.683 17.593 22.952 1.00 20.62 O -HETATM 2448 O HOH A 185 35.845 21.842 16.058 1.00 19.08 O -HETATM 2449 O HOH A 186 12.139 35.840 25.536 1.00 20.22 O -HETATM 2450 O HOH A 187 5.221 22.554 -3.308 1.00 36.56 O -HETATM 2451 O HOH A 188 11.047 53.113 -0.656 1.00 28.19 O -HETATM 2452 O HOH A 189 33.118 39.413 20.187 1.00 16.76 O -HETATM 2453 O HOH A 190 6.364 39.462 15.808 1.00 22.20 O -HETATM 2454 O HOH A 191 11.018 31.034 1.978 1.00 19.09 O -HETATM 2455 O HOH A 192 23.163 25.128 6.644 1.00 21.94 O -HETATM 2456 O HOH A 193 4.268 11.752 10.431 1.00 20.14 O -HETATM 2457 O HOH A 194 13.709 27.809 37.555 1.00 23.02 O -HETATM 2458 O HOH A 195 2.022 26.836 21.753 1.00 16.92 O -HETATM 2459 O HOH A 196 4.778 11.443 13.210 1.00 17.70 O -HETATM 2460 O HOH A 197 23.481 50.691 -3.155 1.00 18.92 O -HETATM 2461 O HOH A 198 8.882 37.007 24.162 1.00 18.75 O -HETATM 2462 O HOH A 199 24.145 -0.901 14.675 1.00 16.61 O -HETATM 2463 O HOH A 200 -0.473 44.431 0.234 1.00 24.35 O -HETATM 2464 O HOH A 201 6.766 15.772 14.017 1.00 17.83 O -HETATM 2465 O HOH A 202 -3.776 53.199 0.095 1.00 27.28 O -HETATM 2466 O HOH A 203 15.360 51.341 9.445 1.00 23.98 O -HETATM 2467 O HOH A 204 31.758 26.802 33.570 1.00 22.94 O -HETATM 2468 O HOH A 205 4.735 14.419 13.574 1.00 17.69 O -HETATM 2469 O HOH A 206 32.463 5.644 20.257 1.00 20.16 O -HETATM 2470 O HOH A 207 6.349 9.333 14.065 1.00 18.63 O -HETATM 2471 O HOH A 208 6.051 32.030 -2.654 1.00 13.17 O -HETATM 2472 O HOH A 209 30.570 3.449 11.537 1.00 20.37 O -HETATM 2473 O HOH A 210 27.729 34.013 9.225 1.00 38.85 O -HETATM 2474 O HOH A 211 34.120 5.075 11.501 1.00 19.28 O -HETATM 2475 O HOH A 212 14.096 -1.191 11.290 1.00 20.33 O -HETATM 2476 O HOH A 213 7.972 30.463 -1.907 1.00 12.93 O -HETATM 2477 O HOH A 214 -1.738 36.126 18.733 1.00 17.50 O -HETATM 2478 O HOH A 215 14.565 52.055 7.616 1.00 16.03 O -HETATM 2479 O HOH A 216 23.549 16.823 1.186 1.00 24.25 O -HETATM 2480 O HOH A 217 31.459 39.380 26.241 1.00 19.18 O -HETATM 2481 O HOH A 218 43.732 34.007 21.407 1.00 28.67 O -HETATM 2482 O HOH A 219 8.947 29.908 0.369 1.00 17.54 O -HETATM 2483 O HOH A 220 1.603 35.001 11.682 1.00 24.21 O -HETATM 2484 O HOH A 221 9.215 52.584 2.477 1.00 20.27 O -HETATM 2485 O HOH A 222 13.954 5.963 13.962 1.00 22.14 O -HETATM 2486 O HOH A 223 13.975 6.084 10.394 1.00 13.36 O -HETATM 2487 O HOH A 224 -1.121 22.680 9.381 1.00 30.32 O -HETATM 2488 O HOH A 515 32.671 44.426 10.328 1.00 25.19 O -HETATM 2489 O HOH A 516 3.170 46.080 -6.603 1.00 22.59 O -HETATM 2490 O HOH A 517 4.849 45.956 -4.648 1.00 19.73 O -HETATM 2491 O HOH A 518 0.992 12.744 24.125 1.00 23.50 O -HETATM 2492 O HOH A 519 11.565 52.021 -6.743 1.00 22.16 O -HETATM 2493 O HOH A 520 3.298 23.816 17.024 1.00 19.70 O -HETATM 2494 O HOH A 521 2.851 19.998 18.403 1.00 32.62 O -HETATM 2495 O HOH A 522 3.270 20.642 20.352 1.00 19.96 O -HETATM 2496 O HOH A 523 9.934 41.366 -7.029 1.00 27.43 O -HETATM 2497 O HOH A 524 17.819 32.261 -0.257 1.00 25.84 O -HETATM 2498 O HOH A 525 32.104 19.899 30.272 1.00 26.87 O -HETATM 2499 O HOH A 526 32.098 20.176 32.561 1.00 29.31 O -HETATM 2500 O HOH A 527 29.507 29.873 38.139 1.00 22.38 O -HETATM 2501 O HOH A 528 5.629 27.679 0.753 1.00 15.84 O -HETATM 2502 O HOH A 529 8.439 43.058 1.226 1.00 25.94 O -HETATM 2503 O HOH A 530 42.288 26.300 24.856 1.00 25.98 O -HETATM 2504 O HOH A 531 24.264 25.091 -4.218 1.00 21.53 O -HETATM 2505 O HOH A 532 6.086 4.821 17.431 1.00 21.21 O -HETATM 2506 O HOH A 533 38.070 26.275 28.369 1.00 33.16 O -HETATM 2507 O HOH A 534 11.338 22.990 33.996 1.00 22.16 O -HETATM 2508 O HOH A 535 36.981 26.014 30.174 1.00 33.43 O -HETATM 2509 O HOH A 536 8.093 32.686 24.091 1.00 25.33 O -HETATM 2510 O HOH A 537 12.002 10.164 29.711 1.00 26.07 O -HETATM 2511 O HOH A 538 37.500 28.892 32.735 1.00 23.30 O -HETATM 2512 O HOH A 539 34.676 8.286 15.068 1.00 25.38 O -HETATM 2513 O HOH A 540 38.074 24.403 23.589 1.00 28.22 O -HETATM 2514 O HOH A 541 0.025 51.513 4.969 1.00 29.90 O -HETATM 2515 O HOH A 542 16.088 4.546 4.292 1.00 26.01 O -HETATM 2516 O HOH A 543 37.639 26.724 32.854 1.00 28.57 O -HETATM 2517 O HOH A 544 19.673 29.047 3.254 1.00 26.34 O -HETATM 2518 O HOH A 545 7.270 31.052 4.156 1.00 25.20 O -HETATM 2519 O HOH A 546 15.853 7.434 4.995 1.00 27.96 O -HETATM 2520 O HOH A 547 35.934 32.512 28.541 1.00 25.34 O -HETATM 2521 O HOH A 548 41.709 23.442 21.518 1.00 26.69 O -HETATM 2522 O HOH A 549 18.294 26.330 -0.990 1.00 30.14 O -HETATM 2523 O HOH A 550 3.643 17.329 17.172 1.00 30.01 O -HETATM 2524 O HOH A 551 1.263 39.245 19.570 1.00 28.84 O -HETATM 2525 O HOH A 552 12.479 21.717 0.581 1.00 27.27 O -HETATM 2526 O HOH A 553 31.754 31.704 1.554 1.00 25.11 O -HETATM 2527 O HOH A 554 3.805 28.287 23.515 1.00 25.26 O -HETATM 2528 O HOH A 555 10.138 31.030 26.769 1.00 31.23 O -HETATM 2529 O HOH A 556 0.026 42.095 1.463 1.00 31.30 O -HETATM 2530 O HOH A 557 29.338 50.489 13.534 1.00 23.27 O -HETATM 2531 O HOH A 558 16.983 28.512 -2.754 1.00 30.20 O -HETATM 2532 O HOH A 559 30.559 12.281 28.406 1.00 27.40 O -HETATM 2533 O HOH A 560 17.279 10.947 32.521 1.00 26.24 O -CONECT 1303 1310 -CONECT 1310 1303 1311 -CONECT 1311 1310 1312 1314 -CONECT 1312 1311 1313 1326 -CONECT 1313 1312 -CONECT 1314 1311 1315 -CONECT 1315 1314 1316 1317 -CONECT 1316 1315 1318 -CONECT 1317 1315 1319 -CONECT 1318 1316 1320 -CONECT 1319 1317 1320 -CONECT 1320 1318 1319 1321 -CONECT 1321 1320 1322 -CONECT 1322 1321 1323 1324 1325 -CONECT 1323 1322 -CONECT 1324 1322 -CONECT 1325 1322 -CONECT 1326 1312 -CONECT 2212 2213 2214 2215 2216 -CONECT 2213 2212 -CONECT 2214 2212 -CONECT 2215 2212 -CONECT 2216 2212 -CONECT 2217 2218 2219 2220 2221 -CONECT 2218 2217 -CONECT 2219 2217 -CONECT 2220 2217 -CONECT 2221 2217 -CONECT 2222 2223 2224 2225 -CONECT 2223 2222 -CONECT 2224 2222 -CONECT 2225 2222 -CONECT 2226 2227 -CONECT 2227 2226 2228 2229 2230 -CONECT 2228 2227 -CONECT 2229 2227 -CONECT 2230 2227 2231 -CONECT 2231 2230 2232 2233 -CONECT 2232 2231 -CONECT 2233 2231 -CONECT 2234 2235 2238 2250 -CONECT 2235 2234 2236 -CONECT 2236 2235 2237 2239 -CONECT 2237 2236 2238 2242 -CONECT 2238 2234 2237 2257 -CONECT 2239 2236 2240 2244 -CONECT 2240 2239 2241 -CONECT 2241 2240 2242 2243 -CONECT 2242 2237 2241 -CONECT 2243 2241 -CONECT 2244 2239 2245 -CONECT 2245 2244 2246 -CONECT 2246 2245 2247 2248 2249 -CONECT 2247 2246 -CONECT 2248 2246 -CONECT 2249 2246 -CONECT 2250 2234 2251 -CONECT 2251 2250 2252 2256 -CONECT 2252 2251 2253 -CONECT 2253 2252 2254 2260 -CONECT 2254 2253 2255 -CONECT 2255 2254 2256 2261 -CONECT 2256 2251 2255 -CONECT 2257 2238 2258 2259 -CONECT 2258 2257 -CONECT 2259 2257 -CONECT 2260 2253 2263 -CONECT 2261 2255 2262 -CONECT 2262 2261 -CONECT 2263 2260 -MASTER 363 0 6 12 11 0 12 6 2532 1 70 22 -END diff --git a/moldesign/_tests/data/3ac2.pdb.bz2 b/moldesign/_tests/data/3ac2.pdb.bz2 new file mode 100644 index 0000000..ebb7264 Binary files /dev/null and b/moldesign/_tests/data/3ac2.pdb.bz2 differ diff --git a/moldesign/_tests/data/3aid.cif b/moldesign/_tests/data/3aid.cif deleted file mode 100644 index 9ffb439..0000000 --- a/moldesign/_tests/data/3aid.cif +++ /dev/null @@ -1,3108 +0,0 @@ -data_3AID -# -_entry.id 3AID -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 4.007 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -_database_2.database_id PDB -_database_2.database_code 3AID -# -loop_ -_database_PDB_rev.num -_database_PDB_rev.date -_database_PDB_rev.date_original -_database_PDB_rev.status -_database_PDB_rev.replaces -_database_PDB_rev.mod_type -1 1997-09-17 1997-05-15 ? 3AID 0 -2 2003-04-01 ? ? 3AID 1 -3 2009-02-24 ? ? 3AID 1 -# -loop_ -_database_PDB_rev_record.rev_num -_database_PDB_rev_record.type -_database_PDB_rev_record.details -2 JRNL ? -3 VERSN ? -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 3AID -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site ? -_pdbx_database_status.SG_entry . -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Rutenber, E.E.' 1 -'Stroud, R.M.' 2 -# -_citation.id primary -_citation.title -;A new class of HIV-1 protease inhibitor: the crystallographic structure, inhibition and chemical synthesis of an aminimide peptide isostere. -; -_citation.journal_abbrev Bioorg.Med.Chem. -_citation.journal_volume 4 -_citation.page_first 1545 -_citation.page_last 1558 -_citation.year 1996 -_citation.journal_id_ASTM BMECEP -_citation.country UK -_citation.journal_id_ISSN 0968-0896 -_citation.journal_id_CSD 1200 -_citation.book_publisher ? -_citation.pdbx_database_id_PubMed 8894111 -_citation.pdbx_database_id_DOI '10.1016/0968-0896(96)00147-2' -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -primary 'Rutenber, E.E.' 1 -primary 'McPhee, F.' 2 -primary 'Kaplan, A.P.' 3 -primary 'Gallion, S.L.' 4 -primary 'Hogan Jr., J.C.' 5 -primary 'Craik, C.S.' 6 -primary 'Stroud, R.M.' 7 -# -_cell.entry_id 3AID -_cell.length_a 53.100 -_cell.length_b 61.000 -_cell.length_c 63.200 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 8 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 3AID -_symmetry.space_group_name_H-M 'P 21 21 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man 'HUMAN IMMUNODEFICIENCY VIRUS PROTEASE' 10801.857 2 -? Q7K ? 3.4.23.16 -2 non-polymer syn 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM' 504.648 1 -? ? ? ? -3 water nat water 18.015 8 -? ? ? ? -# -loop_ -_entity_keywords.entity_id -_entity_keywords.text -1 ? -2 ? -3 ? -# -loop_ -_entity_name_com.entity_id -_entity_name_com.name -1 'HIV PROTEASE, HIV PR' -2 ? -3 ? -# -_entity_poly.entity_id 1 -_entity_poly.type 'polypeptide(L)' -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code -;PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPT -PVNIIGRNLLTQIGCTLNF -; -_entity_poly.pdbx_seq_one_letter_code_can -;PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPT -PVNIIGRNLLTQIGCTLNF -; -_entity_poly.pdbx_strand_id A,B -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 PRO n -1 2 GLN n -1 3 ILE n -1 4 THR n -1 5 LEU n -1 6 TRP n -1 7 LYS n -1 8 ARG n -1 9 PRO n -1 10 LEU n -1 11 VAL n -1 12 THR n -1 13 ILE n -1 14 ARG n -1 15 ILE n -1 16 GLY n -1 17 GLY n -1 18 GLN n -1 19 LEU n -1 20 LYS n -1 21 GLU n -1 22 ALA n -1 23 LEU n -1 24 LEU n -1 25 ASP n -1 26 THR n -1 27 GLY n -1 28 ALA n -1 29 ASP n -1 30 ASP n -1 31 THR n -1 32 VAL n -1 33 LEU n -1 34 GLU n -1 35 GLU n -1 36 MET n -1 37 ASN n -1 38 LEU n -1 39 PRO n -1 40 GLY n -1 41 LYS n -1 42 TRP n -1 43 LYS n -1 44 PRO n -1 45 LYS n -1 46 MET n -1 47 ILE n -1 48 GLY n -1 49 GLY n -1 50 ILE n -1 51 GLY n -1 52 GLY n -1 53 PHE n -1 54 ILE n -1 55 LYS n -1 56 VAL n -1 57 ARG n -1 58 GLN n -1 59 TYR n -1 60 ASP n -1 61 GLN n -1 62 ILE n -1 63 PRO n -1 64 VAL n -1 65 GLU n -1 66 ILE n -1 67 CYS n -1 68 GLY n -1 69 HIS n -1 70 LYS n -1 71 ALA n -1 72 ILE n -1 73 GLY n -1 74 THR n -1 75 VAL n -1 76 LEU n -1 77 VAL n -1 78 GLY n -1 79 PRO n -1 80 THR n -1 81 PRO n -1 82 VAL n -1 83 ASN n -1 84 ILE n -1 85 ILE n -1 86 GLY n -1 87 ARG n -1 88 ASN n -1 89 LEU n -1 90 LEU n -1 91 THR n -1 92 GLN n -1 93 ILE n -1 94 GLY n -1 95 CYS n -1 96 THR n -1 97 LEU n -1 98 ASN n -1 99 PHE n -# -_entity_src_gen.entity_id 1 -_entity_src_gen.gene_src_common_name ? -_entity_src_gen.gene_src_genus Lentivirus -_entity_src_gen.pdbx_gene_src_gene ? -_entity_src_gen.gene_src_species ? -_entity_src_gen.gene_src_strain ? -_entity_src_gen.gene_src_tissue ? -_entity_src_gen.gene_src_tissue_fraction ? -_entity_src_gen.gene_src_details ? -_entity_src_gen.pdbx_gene_src_fragment ? -_entity_src_gen.pdbx_gene_src_scientific_name 'Human immunodeficiency virus 1' -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 11676 -_entity_src_gen.pdbx_gene_src_variant 'SF1 ISOLATE' -_entity_src_gen.pdbx_gene_src_cell_line ? -_entity_src_gen.pdbx_gene_src_atcc ? -_entity_src_gen.pdbx_gene_src_organ ? -_entity_src_gen.pdbx_gene_src_organelle ? -_entity_src_gen.pdbx_gene_src_cell ? -_entity_src_gen.pdbx_gene_src_cellular_location ? -_entity_src_gen.host_org_common_name ? -_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 -_entity_src_gen.host_org_genus Escherichia -_entity_src_gen.pdbx_host_org_gene ? -_entity_src_gen.pdbx_host_org_organ ? -_entity_src_gen.host_org_species ? -_entity_src_gen.pdbx_host_org_tissue ? -_entity_src_gen.pdbx_host_org_tissue_fraction ? -_entity_src_gen.pdbx_host_org_strain ? -_entity_src_gen.pdbx_host_org_variant ? -_entity_src_gen.pdbx_host_org_cell_line ? -_entity_src_gen.pdbx_host_org_atcc ? -_entity_src_gen.pdbx_host_org_culture_collection ? -_entity_src_gen.pdbx_host_org_cell ? -_entity_src_gen.pdbx_host_org_organelle ? -_entity_src_gen.pdbx_host_org_cellular_location ? -_entity_src_gen.pdbx_host_org_vector_type ? -_entity_src_gen.pdbx_host_org_vector ? -_entity_src_gen.plasmid_name ? -_entity_src_gen.plasmid_details ? -_entity_src_gen.pdbx_description ? -# -_struct_ref.id 1 -_struct_ref.db_name UNP -_struct_ref.db_code POL_HV1A2 -_struct_ref.entity_id 1 -_struct_ref.pdbx_db_accession P03369 -_struct_ref.pdbx_align_begin 1 -_struct_ref.pdbx_seq_one_letter_code -;FFREDLAFLQGKAREFSSEQTRANSPTRRELQVWGGENNSLSEAGADRQGTVSFNFPQITLWQRPLVTIRIGGQLKEALL -DTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPI -ETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQ -DFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMT -KILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIM -LPEKDSWTVNDIQKLVGKLNWASQIYAGIKVKQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHEVYYDPSKDL -VAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKVSTESIVIWGKIPKFKLPIQKETWEAWWMEY -WQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTDRGRQKVVSIADTTNQKTELQAIHLA -LQDSGLEVNIVTDSQYALGIIQAQPDKSESELVSQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLNGI -DKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKIILVAVHVASGYIE -AEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNNELKKIIGQV -RDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDNKDPLWKGPAKLLWKG -EGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED -; -_struct_ref.biol_id . -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 3AID A 1 ? 99 ? P03369 57 ? 155 ? 1 99 -2 1 3AID B 1 ? 99 ? P03369 57 ? 155 ? 1 99 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -1 3AID LYS A 7 ? UNP P03369 GLN 63 ENGINEERED 7 1 -2 3AID LYS B 7 ? UNP P03369 GLN 63 ENGINEERED 7 2 -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -PRO 'L-peptide linking' y PROLINE ? -'C5 H9 N O2' 115.132 -GLN 'L-peptide linking' y GLUTAMINE ? -'C5 H10 N2 O3' 146.146 -ILE 'L-peptide linking' y ISOLEUCINE ? -'C6 H13 N O2' 131.174 -THR 'L-peptide linking' y THREONINE ? -'C4 H9 N O3' 119.120 -LEU 'L-peptide linking' y LEUCINE ? -'C6 H13 N O2' 131.174 -TRP 'L-peptide linking' y TRYPTOPHAN ? -'C11 H12 N2 O2' 204.228 -LYS 'L-peptide linking' y LYSINE ? -'C6 H15 N2 O2 1' 147.197 -ARG 'L-peptide linking' y ARGININE ? -'C6 H15 N4 O2 1' 175.210 -VAL 'L-peptide linking' y VALINE ? -'C5 H11 N O2' 117.147 -GLY 'PEPTIDE LINKING' y GLYCINE ? -'C2 H5 N O2' 75.067 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? -'C5 H9 N O4' 147.130 -ALA 'L-peptide linking' y ALANINE ? -'C3 H7 N O2' 89.094 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? -'C4 H7 N O4' 133.104 -MET 'L-peptide linking' y METHIONINE ? -'C5 H11 N O2 S' 149.207 -ASN 'L-peptide linking' y ASPARAGINE ? -'C4 H8 N2 O3' 132.119 -PHE 'L-peptide linking' y PHENYLALANINE ? -'C9 H11 N O2' 165.191 -TYR 'L-peptide linking' y TYROSINE ? -'C9 H11 N O3' 181.191 -CYS 'L-peptide linking' y CYSTEINE ? -'C3 H7 N O2 S' 121.154 -HIS 'L-peptide linking' y HISTIDINE ? -'C6 H10 N3 O2 1' 156.164 -ARQ NON-POLYMER . 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM' ? -'C30 H38 N3 O4 1' 504.648 -HOH NON-POLYMER . WATER ? -'H2 O' 18.015 -# -_exptl.entry_id 3AID -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.37 -_exptl_crystal.density_percent_sol 48.04 -_exptl_crystal.description ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 5.4 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details 'pH 5.4' -# -_diffrn.id 1 -_diffrn.ambient_temp 287 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector 'AREA DETECTOR' -_diffrn_detector.type SIEMENS -_diffrn_detector.pdbx_collection_date 1995-01 -_diffrn_detector.details ? -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator 'GRAPHITE(002)' -_diffrn_radiation.pdbx_diffrn_protocol ? -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 1.5418 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source 'ROTATING ANODE' -_diffrn_source.type 'RIGAKU RUH3R' -_diffrn_source.pdbx_synchrotron_site ? -_diffrn_source.pdbx_synchrotron_beamline ? -_diffrn_source.pdbx_wavelength 1.5418 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 3AID -_reflns.observed_criterion_sigma_I 0.0 -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 100. -_reflns.d_resolution_high 2.5 -_reflns.number_obs 14215 -_reflns.number_all ? -_reflns.percent_possible_obs 87. -_reflns.pdbx_Rmerge_I_obs 0.0810000 -_reflns.pdbx_Rsym_value 0.0810000 -_reflns.pdbx_netI_over_sigmaI ? -_reflns.B_iso_Wilson_estimate ? -_reflns.pdbx_redundancy 2.2 -_reflns.pdbx_ordinal 1 -_reflns.pdbx_diffrn_id 1 -# -_computing.entry_id 3AID -_computing.pdbx_data_reduction_ii SIEMENS -_computing.pdbx_data_reduction_ds SIEMENS -_computing.data_collection ? -_computing.structure_solution 'X-PLOR 2.0' -_computing.structure_refinement 'X-PLOR 2.0' -_computing.pdbx_structure_refinement_method ? -# -_refine.entry_id 3AID -_refine.ls_number_reflns_obs 6864 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 0.0 -_refine.pdbx_data_cutoff_high_absF ? -_refine.pdbx_data_cutoff_low_absF ? -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 7.0 -_refine.ls_d_res_high 2.5 -_refine.ls_percent_reflns_obs 88. -_refine.ls_R_factor_obs 0.1800000 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.1800000 -_refine.ls_R_factor_R_free ? -_refine.ls_R_factor_R_free_error ? -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free ? -_refine.ls_number_reflns_R_free ? -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean ? -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method ? -_refine.details ? -_refine.pdbx_starting_model 'PDB ENTRY 3HVP' -_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model ? -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details ? -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.pdbx_diffrn_id 1 -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 1516 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 37 -_refine_hist.number_atoms_solvent 8 -_refine_hist.number_atoms_total 1561 -_refine_hist.d_res_high 2.5 -_refine_hist.d_res_low 7.0 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -x_bond_d 0.021 ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg 3.50 ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' -x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d 30.1 ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d 16.4 ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' -x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' -x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' -x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' -x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' -x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' -# -loop_ -_pdbx_xplor_file.serial_no -_pdbx_xplor_file.param_file -_pdbx_xplor_file.topol_file -_pdbx_xplor_file.pdbx_refine_id -1 PARAM19X.PRO TOPH19X.PRO 'X-RAY DIFFRACTION' -2 ? ? 'X-RAY DIFFRACTION' -# -_struct.entry_id 3AID -_struct.title -;A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND CHEMICAL SYNTHESIS OF AN AMINIMIDE PEPTIDE ISOSTERE -; -_struct.pdbx_descriptor -;HUMAN IMMUNODEFICIENCY VIRUS PROTEASE, BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM -; -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 3AID -_struct_keywords.pdbx_keywords 'ASPARTYL PROTEASE' -_struct_keywords.text 'ASPARTYL PROTEASE, PROTEASE, HIV, PEPTIDE ISOSTERE INHIBITOR, DRUG DESIGN' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 1 ? -C N N 2 ? -D N N 3 ? -E N N 3 ? -# -_struct_biol.id 1 -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 ARG A 87 ? LEU A 90 ? ARG A 87 LEU A 90 1 ? 4 -HELX_P HELX_P2 2 ARG B 87 ? LEU B 90 ? ARG B 87 LEU B 90 1 ? 4 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 4 ? -B ? 3 ? -C ? 2 ? -D ? 2 ? -E ? 3 ? -F ? 2 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -A 3 4 ? anti-parallel -B 1 2 ? anti-parallel -B 2 3 ? anti-parallel -C 1 2 ? anti-parallel -D 1 2 ? anti-parallel -E 1 2 ? anti-parallel -E 2 3 ? anti-parallel -F 1 2 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 GLN A 18 ? LEU A 23 ? ? GLN A 18 LEU A 23 -A 2 LEU A 10 ? ILE A 15 ? ? LEU A 10 ILE A 15 -A 3 ILE A 62 ? ILE A 66 ? ? ILE A 62 ILE A 66 -A 4 HIS A 69 ? GLY A 73 ? ? HIS A 69 GLY A 73 -B 1 LYS A 43 ? GLY A 49 ? ? LYS A 43 GLY A 49 -B 2 GLY A 52 ? TYR A 59 ? ? GLY A 52 TYR A 59 -B 3 VAL A 75 ? GLY A 78 ? ? VAL A 75 GLY A 78 -C 1 THR A 96 ? ASN A 98 ? ? THR A 96 ASN A 98 -C 2 THR B 96 ? ASN B 98 ? ? THR B 96 ASN B 98 -D 1 LEU B 10 ? ILE B 15 ? ? LEU B 10 ILE B 15 -D 2 GLN B 18 ? LEU B 23 ? ? GLN B 18 LEU B 23 -E 1 TRP B 42 ? GLY B 49 ? ? TRP B 42 GLY B 49 -E 2 GLY B 52 ? TYR B 59 ? ? GLY B 52 TYR B 59 -E 3 VAL B 75 ? GLY B 78 ? ? VAL B 75 GLY B 78 -F 1 ILE B 62 ? ILE B 66 ? ? ILE B 62 ILE B 66 -F 2 HIS B 69 ? GLY B 73 ? ? HIS B 69 GLY B 73 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O GLN A 18 ? O GLN A 18 N ILE A 15 ? N ILE A 15 -A 2 3 O ARG A 14 ? O ARG A 14 N GLU A 65 ? N GLU A 65 -A 3 4 O ILE A 62 ? O ILE A 62 N GLY A 73 ? N GLY A 73 -B 1 2 O LYS A 43 ? O LYS A 43 N GLN A 58 ? N GLN A 58 -B 2 3 O ARG A 57 ? O ARG A 57 N VAL A 77 ? N VAL A 77 -C 1 2 O THR A 96 ? O THR A 96 N ASN B 98 ? N ASN B 98 -D 1 2 O VAL B 11 ? O VAL B 11 N ALA B 22 ? N ALA B 22 -E 1 2 O LYS B 43 ? O LYS B 43 N GLN B 58 ? N GLN B 58 -E 2 3 O ARG B 57 ? O ARG B 57 N VAL B 77 ? N VAL B 77 -F 1 2 O ILE B 62 ? O ILE B 62 N GLY B 73 ? N GLY B 73 -# -_struct_site.id AC1 -_struct_site.details 'BINDING SITE FOR RESIDUE ARQ A 401' -_struct_site.pdbx_evidence_code SOFTWARE -# -loop_ -_struct_site_gen.id -_struct_site_gen.site_id -_struct_site_gen.pdbx_num_res -_struct_site_gen.label_comp_id -_struct_site_gen.label_asym_id -_struct_site_gen.label_seq_id -_struct_site_gen.pdbx_auth_ins_code -_struct_site_gen.auth_comp_id -_struct_site_gen.auth_asym_id -_struct_site_gen.auth_seq_id -_struct_site_gen.label_atom_id -_struct_site_gen.label_alt_id -_struct_site_gen.symmetry -_struct_site_gen.details -1 AC1 10 ASP A 25 ? ASP A 25 . . 1_555 ? -2 AC1 10 GLY A 27 ? GLY A 27 . . 1_555 ? -3 AC1 10 ALA A 28 ? ALA A 28 . . 1_555 ? -4 AC1 10 ILE A 50 ? ILE A 50 . . 1_555 ? -5 AC1 10 HOH D . ? HOH A 402 . . 1_555 ? -6 AC1 10 LEU B 23 ? LEU B 23 . . 1_555 ? -7 AC1 10 ASP B 25 ? ASP B 25 . . 1_555 ? -8 AC1 10 GLY B 27 ? GLY B 27 . . 1_555 ? -9 AC1 10 GLY B 49 ? GLY B 49 . . 1_555 ? -10 AC1 10 ILE B 50 ? ILE B 50 . . 1_555 ? -# -_database_PDB_matrix.entry_id 3AID -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_atom_sites.entry_id 3AID -_atom_sites.Cartn_transform_axes ? -_atom_sites.fract_transf_matrix[1][1] 0.018832 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.016393 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.015823 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -N -C -O -H -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.Cartn_x_esd -_atom_site.Cartn_y_esd -_atom_site.Cartn_z_esd -_atom_site.occupancy_esd -_atom_site.B_iso_or_equiv_esd -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . PRO A 1 1 ? -2.555 9.253 34.411 1.00 30.60 ? ? ? ? ? ? 1 PRO A N 1 -ATOM 2 C CA . PRO A 1 1 ? -1.620 8.250 33.848 1.00 28.31 ? ? ? ? ? ? 1 PRO A CA 1 -ATOM 3 C C . PRO A 1 1 ? -0.108 8.328 33.944 1.00 23.58 ? ? ? ? ? ? 1 PRO A C 1 -ATOM 4 O O . PRO A 1 1 ? 0.501 8.910 33.067 1.00 29.57 ? ? ? ? ? ? 1 PRO A O 1 -ATOM 5 C CB . PRO A 1 1 ? -2.238 6.879 33.989 1.00 28.94 ? ? ? ? ? ? 1 PRO A CB 1 -ATOM 6 C CG . PRO A 1 1 ? -3.624 7.314 33.540 1.00 32.55 ? ? ? ? ? ? 1 PRO A CG 1 -ATOM 7 C CD . PRO A 1 1 ? -3.859 8.575 34.395 1.00 34.64 ? ? ? ? ? ? 1 PRO A CD 1 -ATOM 8 H H2 . PRO A 1 1 ? -2.308 9.752 35.280 0.00 0.00 ? ? ? ? ? ? 1 PRO A H2 1 -ATOM 9 H H3 . PRO A 1 1 ? -2.623 10.035 33.697 0.00 0.00 ? ? ? ? ? ? 1 PRO A H3 1 -ATOM 10 N N . GLN A 1 2 ? 0.519 7.674 34.926 1.00 20.68 ? ? ? ? ? ? 2 GLN A N 1 -ATOM 11 C CA . GLN A 1 2 ? 1.942 7.366 34.601 1.00 22.20 ? ? ? ? ? ? 2 GLN A CA 1 -ATOM 12 C C . GLN A 1 2 ? 2.286 5.899 34.319 1.00 22.20 ? ? ? ? ? ? 2 GLN A C 1 -ATOM 13 O O . GLN A 1 2 ? 2.239 5.053 35.212 1.00 24.91 ? ? ? ? ? ? 2 GLN A O 1 -ATOM 14 C CB . GLN A 1 2 ? 3.002 7.941 35.586 1.00 22.73 ? ? ? ? ? ? 2 GLN A CB 1 -ATOM 15 C CG . GLN A 1 2 ? 4.462 7.592 35.145 1.00 23.29 ? ? ? ? ? ? 2 GLN A CG 1 -ATOM 16 C CD . GLN A 1 2 ? 5.541 8.058 36.132 1.00 23.86 ? ? ? ? ? ? 2 GLN A CD 1 -ATOM 17 O OE1 . GLN A 1 2 ? 6.166 9.080 35.963 1.00 21.61 ? ? ? ? ? ? 2 GLN A OE1 1 -ATOM 18 N NE2 . GLN A 1 2 ? 5.815 7.280 37.164 1.00 21.66 ? ? ? ? ? ? 2 GLN A NE2 1 -ATOM 19 H H . GLN A 1 2 ? 0.038 7.260 35.695 1.00 15.00 ? ? ? ? ? ? 2 GLN A H 1 -ATOM 20 H HE21 . GLN A 1 2 ? 6.517 7.687 37.741 1.00 15.00 ? ? ? ? ? ? 2 GLN A HE21 1 -ATOM 21 H HE22 . GLN A 1 2 ? 5.386 6.401 37.335 1.00 15.00 ? ? ? ? ? ? 2 GLN A HE22 1 -ATOM 22 N N . ILE A 1 3 ? 2.606 5.658 33.030 1.00 18.27 ? ? ? ? ? ? 3 ILE A N 1 -ATOM 23 C CA . ILE A 1 3 ? 2.930 4.304 32.526 1.00 14.22 ? ? ? ? ? ? 3 ILE A CA 1 -ATOM 24 C C . ILE A 1 3 ? 4.436 4.069 32.273 1.00 15.16 ? ? ? ? ? ? 3 ILE A C 1 -ATOM 25 O O . ILE A 1 3 ? 5.020 4.591 31.332 1.00 20.12 ? ? ? ? ? ? 3 ILE A O 1 -ATOM 26 C CB . ILE A 1 3 ? 2.076 3.977 31.276 1.00 8.81 ? ? ? ? ? ? 3 ILE A CB 1 -ATOM 27 C CG1 . ILE A 1 3 ? 0.614 4.286 31.565 1.00 6.38 ? ? ? ? ? ? 3 ILE A CG1 1 -ATOM 28 C CG2 . ILE A 1 3 ? 2.170 2.509 30.873 1.00 3.08 ? ? ? ? ? ? 3 ILE A CG2 1 -ATOM 29 C CD1 . ILE A 1 3 ? -0.351 3.719 30.518 1.00 10.97 ? ? ? ? ? ? 3 ILE A CD1 1 -ATOM 30 H H . ILE A 1 3 ? 2.634 6.454 32.436 1.00 15.00 ? ? ? ? ? ? 3 ILE A H 1 -ATOM 31 N N . THR A 1 4 ? 5.050 3.270 33.166 1.00 10.39 ? ? ? ? ? ? 4 THR A N 1 -ATOM 32 C CA . THR A 1 4 ? 6.416 2.743 32.935 1.00 10.00 ? ? ? ? ? ? 4 THR A CA 1 -ATOM 33 C C . THR A 1 4 ? 6.599 1.452 32.068 1.00 11.66 ? ? ? ? ? ? 4 THR A C 1 -ATOM 34 O O . THR A 1 4 ? 5.793 0.527 32.112 1.00 15.69 ? ? ? ? ? ? 4 THR A O 1 -ATOM 35 C CB . THR A 1 4 ? 7.056 2.437 34.248 1.00 4.39 ? ? ? ? ? ? 4 THR A CB 1 -ATOM 36 O OG1 . THR A 1 4 ? 6.473 1.231 34.804 1.00 5.25 ? ? ? ? ? ? 4 THR A OG1 1 -ATOM 37 C CG2 . THR A 1 4 ? 6.920 3.635 35.165 1.00 2.00 ? ? ? ? ? ? 4 THR A CG2 1 -ATOM 38 H H . THR A 1 4 ? 4.492 2.965 33.935 1.00 15.00 ? ? ? ? ? ? 4 THR A H 1 -ATOM 39 H HG1 . THR A 1 4 ? 5.929 0.815 34.136 1.00 15.00 ? ? ? ? ? ? 4 THR A HG1 1 -ATOM 40 N N . LEU A 1 5 ? 7.715 1.398 31.321 1.00 8.84 ? ? ? ? ? ? 5 LEU A N 1 -ATOM 41 C CA . LEU A 1 5 ? 7.870 0.420 30.235 1.00 7.65 ? ? ? ? ? ? 5 LEU A CA 1 -ATOM 42 C C . LEU A 1 5 ? 8.606 -0.903 30.466 1.00 8.47 ? ? ? ? ? ? 5 LEU A C 1 -ATOM 43 O O . LEU A 1 5 ? 9.134 -1.511 29.545 1.00 9.06 ? ? ? ? ? ? 5 LEU A O 1 -ATOM 44 C CB . LEU A 1 5 ? 8.534 1.094 29.034 1.00 6.66 ? ? ? ? ? ? 5 LEU A CB 1 -ATOM 45 C CG . LEU A 1 5 ? 7.818 2.230 28.311 1.00 9.11 ? ? ? ? ? ? 5 LEU A CG 1 -ATOM 46 C CD1 . LEU A 1 5 ? 6.305 2.030 28.315 1.00 10.52 ? ? ? ? ? ? 5 LEU A CD1 1 -ATOM 47 C CD2 . LEU A 1 5 ? 8.236 3.611 28.775 1.00 10.50 ? ? ? ? ? ? 5 LEU A CD2 1 -ATOM 48 H H . LEU A 1 5 ? 8.405 2.109 31.468 1.00 15.00 ? ? ? ? ? ? 5 LEU A H 1 -ATOM 49 N N . TRP A 1 6 ? 8.646 -1.381 31.725 1.00 13.00 ? ? ? ? ? ? 6 TRP A N 1 -ATOM 50 C CA . TRP A 1 6 ? 9.213 -2.750 31.877 1.00 14.24 ? ? ? ? ? ? 6 TRP A CA 1 -ATOM 51 C C . TRP A 1 6 ? 8.280 -3.867 31.412 1.00 14.81 ? ? ? ? ? ? 6 TRP A C 1 -ATOM 52 O O . TRP A 1 6 ? 8.651 -5.001 31.168 1.00 16.96 ? ? ? ? ? ? 6 TRP A O 1 -ATOM 53 C CB . TRP A 1 6 ? 9.687 -3.124 33.289 1.00 14.28 ? ? ? ? ? ? 6 TRP A CB 1 -ATOM 54 C CG . TRP A 1 6 ? 10.074 -1.910 34.088 1.00 20.68 ? ? ? ? ? ? 6 TRP A CG 1 -ATOM 55 C CD1 . TRP A 1 6 ? 9.182 -1.145 34.863 1.00 27.93 ? ? ? ? ? ? 6 TRP A CD1 1 -ATOM 56 C CD2 . TRP A 1 6 ? 11.333 -1.208 34.201 1.00 21.72 ? ? ? ? ? ? 6 TRP A CD2 1 -ATOM 57 N NE1 . TRP A 1 6 ? 9.777 -0.041 35.406 1.00 26.52 ? ? ? ? ? ? 6 TRP A NE1 1 -ATOM 58 C CE2 . TRP A 1 6 ? 11.101 -0.027 35.017 1.00 22.61 ? ? ? ? ? ? 6 TRP A CE2 1 -ATOM 59 C CE3 . TRP A 1 6 ? 12.617 -1.473 33.714 1.00 16.16 ? ? ? ? ? ? 6 TRP A CE3 1 -ATOM 60 C CZ2 . TRP A 1 6 ? 12.128 0.887 35.290 1.00 20.31 ? ? ? ? ? ? 6 TRP A CZ2 1 -ATOM 61 C CZ3 . TRP A 1 6 ? 13.644 -0.553 34.018 1.00 17.45 ? ? ? ? ? ? 6 TRP A CZ3 1 -ATOM 62 C CH2 . TRP A 1 6 ? 13.406 0.616 34.778 1.00 18.71 ? ? ? ? ? ? 6 TRP A CH2 1 -ATOM 63 H H . TRP A 1 6 ? 8.228 -0.834 32.447 1.00 15.00 ? ? ? ? ? ? 6 TRP A H 1 -ATOM 64 H HE1 . TRP A 1 6 ? 9.317 0.632 35.960 1.00 15.00 ? ? ? ? ? ? 6 TRP A HE1 1 -ATOM 65 N N . LYS A 1 7 ? 7.017 -3.454 31.284 1.00 12.93 ? ? ? ? ? ? 7 LYS A N 1 -ATOM 66 C CA . LYS A 1 7 ? 5.990 -4.250 30.643 1.00 9.56 ? ? ? ? ? ? 7 LYS A CA 1 -ATOM 67 C C . LYS A 1 7 ? 5.420 -3.525 29.460 1.00 11.55 ? ? ? ? ? ? 7 LYS A C 1 -ATOM 68 O O . LYS A 1 7 ? 5.478 -2.299 29.399 1.00 12.41 ? ? ? ? ? ? 7 LYS A O 1 -ATOM 69 C CB . LYS A 1 7 ? 4.841 -4.432 31.607 1.00 18.71 ? ? ? ? ? ? 7 LYS A CB 1 -ATOM 70 C CG . LYS A 1 7 ? 5.137 -5.278 32.839 1.00 28.83 ? ? ? ? ? ? 7 LYS A CG 1 -ATOM 71 C CD . LYS A 1 7 ? 3.948 -5.219 33.795 1.00 36.81 ? ? ? ? ? ? 7 LYS A CD 1 -ATOM 72 C CE . LYS A 1 7 ? 4.209 -5.975 35.117 1.00 43.42 ? ? ? ? ? ? 7 LYS A CE 1 -ATOM 73 N NZ . LYS A 1 7 ? 3.160 -5.652 36.107 1.00 42.34 ? ? ? ? ? ? 7 LYS A NZ 1 -ATOM 74 H H . LYS A 1 7 ? 6.799 -2.518 31.545 1.00 15.00 ? ? ? ? ? ? 7 LYS A H 1 -ATOM 75 H HZ1 . LYS A 1 7 ? 2.887 -4.655 35.991 1.00 15.00 ? ? ? ? ? ? 7 LYS A HZ1 1 -ATOM 76 H HZ2 . LYS A 1 7 ? 2.331 -6.260 35.944 1.00 15.00 ? ? ? ? ? ? 7 LYS A HZ2 1 -ATOM 77 H HZ3 . LYS A 1 7 ? 3.527 -5.810 37.067 1.00 15.00 ? ? ? ? ? ? 7 LYS A HZ3 1 -ATOM 78 N N . ARG A 1 8 ? 4.801 -4.305 28.535 1.00 12.42 ? ? ? ? ? ? 8 ARG A N 1 -ATOM 79 C CA . ARG A 1 8 ? 4.091 -3.587 27.449 1.00 10.97 ? ? ? ? ? ? 8 ARG A CA 1 -ATOM 80 C C . ARG A 1 8 ? 3.003 -2.612 27.887 1.00 11.55 ? ? ? ? ? ? 8 ARG A C 1 -ATOM 81 O O . ARG A 1 8 ? 2.184 -2.938 28.746 1.00 13.27 ? ? ? ? ? ? 8 ARG A O 1 -ATOM 82 C CB . ARG A 1 8 ? 3.384 -4.517 26.488 1.00 9.39 ? ? ? ? ? ? 8 ARG A CB 1 -ATOM 83 C CG . ARG A 1 8 ? 4.144 -5.748 26.107 1.00 6.80 ? ? ? ? ? ? 8 ARG A CG 1 -ATOM 84 C CD . ARG A 1 8 ? 3.297 -6.581 25.184 1.00 12.73 ? ? ? ? ? ? 8 ARG A CD 1 -ATOM 85 N NE . ARG A 1 8 ? 4.151 -7.669 24.790 1.00 28.15 ? ? ? ? ? ? 8 ARG A NE 1 -ATOM 86 C CZ . ARG A 1 8 ? 4.343 -8.083 23.521 1.00 36.60 ? ? ? ? ? ? 8 ARG A CZ 1 -ATOM 87 N NH1 . ARG A 1 8 ? 3.598 -7.690 22.490 1.00 33.53 ? ? ? ? ? ? 8 ARG A NH1 1 -ATOM 88 N NH2 . ARG A 1 8 ? 5.334 -8.947 23.322 1.00 45.16 ? ? ? ? ? ? 8 ARG A NH2 1 -ATOM 89 H H . ARG A 1 8 ? 4.761 -5.287 28.694 1.00 15.00 ? ? ? ? ? ? 8 ARG A H 1 -ATOM 90 H HE . ARG A 1 8 ? 4.684 -8.129 25.500 1.00 15.00 ? ? ? ? ? ? 8 ARG A HE 1 -ATOM 91 H HH11 . ARG A 1 8 ? 2.832 -7.063 22.626 1.00 15.00 ? ? ? ? ? ? 8 ARG A HH11 1 -ATOM 92 H HH12 . ARG A 1 8 ? 3.812 -8.029 21.574 1.00 15.00 ? ? ? ? ? ? 8 ARG A HH12 1 -ATOM 93 H HH21 . ARG A 1 8 ? 5.883 -9.253 24.101 1.00 15.00 ? ? ? ? ? ? 8 ARG A HH21 1 -ATOM 94 H HH22 . ARG A 1 8 ? 5.536 -9.289 22.407 1.00 15.00 ? ? ? ? ? ? 8 ARG A HH22 1 -ATOM 95 N N . PRO A 1 9 ? 2.957 -1.418 27.265 1.00 10.22 ? ? ? ? ? ? 9 PRO A N 1 -ATOM 96 C CA . PRO A 1 9 ? 1.838 -0.522 27.644 1.00 9.31 ? ? ? ? ? ? 9 PRO A CA 1 -ATOM 97 C C . PRO A 1 9 ? 0.443 -0.973 27.113 1.00 9.47 ? ? ? ? ? ? 9 PRO A C 1 -ATOM 98 O O . PRO A 1 9 ? -0.016 -0.531 26.071 1.00 12.70 ? ? ? ? ? ? 9 PRO A O 1 -ATOM 99 C CB . PRO A 1 9 ? 2.350 0.830 27.118 1.00 7.49 ? ? ? ? ? ? 9 PRO A CB 1 -ATOM 100 C CG . PRO A 1 9 ? 3.309 0.489 25.949 1.00 10.39 ? ? ? ? ? ? 9 PRO A CG 1 -ATOM 101 C CD . PRO A 1 9 ? 3.886 -0.881 26.272 1.00 7.83 ? ? ? ? ? ? 9 PRO A CD 1 -ATOM 102 N N . LEU A 1 10 ? -0.222 -1.893 27.855 1.00 10.28 ? ? ? ? ? ? 10 LEU A N 1 -ATOM 103 C CA . LEU A 1 10 ? -1.555 -2.420 27.472 1.00 5.59 ? ? ? ? ? ? 10 LEU A CA 1 -ATOM 104 C C . LEU A 1 10 ? -2.725 -1.865 28.254 1.00 6.30 ? ? ? ? ? ? 10 LEU A C 1 -ATOM 105 O O . LEU A 1 10 ? -2.737 -1.938 29.472 1.00 9.79 ? ? ? ? ? ? 10 LEU A O 1 -ATOM 106 C CB . LEU A 1 10 ? -1.653 -3.892 27.745 1.00 2.00 ? ? ? ? ? ? 10 LEU A CB 1 -ATOM 107 C CG . LEU A 1 10 ? -1.056 -4.838 26.734 1.00 2.00 ? ? ? ? ? ? 10 LEU A CG 1 -ATOM 108 C CD1 . LEU A 1 10 ? -1.127 -6.225 27.327 1.00 2.00 ? ? ? ? ? ? 10 LEU A CD1 1 -ATOM 109 C CD2 . LEU A 1 10 ? -1.725 -4.792 25.361 1.00 2.00 ? ? ? ? ? ? 10 LEU A CD2 1 -ATOM 110 H H . LEU A 1 10 ? 0.241 -2.213 28.683 1.00 15.00 ? ? ? ? ? ? 10 LEU A H 1 -ATOM 111 N N . VAL A 1 11 ? -3.701 -1.304 27.534 1.00 8.40 ? ? ? ? ? ? 11 VAL A N 1 -ATOM 112 C CA . VAL A 1 11 ? -4.916 -0.688 28.141 1.00 13.91 ? ? ? ? ? ? 11 VAL A CA 1 -ATOM 113 C C . VAL A 1 11 ? -6.236 -1.349 27.788 1.00 13.86 ? ? ? ? ? ? 11 VAL A C 1 -ATOM 114 O O . VAL A 1 11 ? -6.351 -2.140 26.860 1.00 17.89 ? ? ? ? ? ? 11 VAL A O 1 -ATOM 115 C CB . VAL A 1 11 ? -5.114 0.850 27.856 1.00 12.10 ? ? ? ? ? ? 11 VAL A CB 1 -ATOM 116 C CG1 . VAL A 1 11 ? -4.279 1.777 28.747 1.00 7.44 ? ? ? ? ? ? 11 VAL A CG1 1 -ATOM 117 C CG2 . VAL A 1 11 ? -5.022 1.221 26.378 1.00 11.10 ? ? ? ? ? ? 11 VAL A CG2 1 -ATOM 118 H H . VAL A 1 11 ? -3.481 -1.176 26.579 1.00 15.00 ? ? ? ? ? ? 11 VAL A H 1 -ATOM 119 N N . THR A 1 12 ? -7.266 -0.967 28.535 1.00 10.31 ? ? ? ? ? ? 12 THR A N 1 -ATOM 120 C CA . THR A 1 12 ? -8.564 -1.409 28.023 1.00 10.43 ? ? ? ? ? ? 12 THR A CA 1 -ATOM 121 C C . THR A 1 12 ? -9.308 -0.344 27.224 1.00 11.24 ? ? ? ? ? ? 12 THR A C 1 -ATOM 122 O O . THR A 1 12 ? -9.366 0.823 27.604 1.00 10.44 ? ? ? ? ? ? 12 THR A O 1 -ATOM 123 C CB . THR A 1 12 ? -9.457 -1.922 29.145 1.00 12.18 ? ? ? ? ? ? 12 THR A CB 1 -ATOM 124 O OG1 . THR A 1 12 ? -8.702 -2.710 30.069 1.00 17.40 ? ? ? ? ? ? 12 THR A OG1 1 -ATOM 125 C CG2 . THR A 1 12 ? -10.631 -2.754 28.609 1.00 17.57 ? ? ? ? ? ? 12 THR A CG2 1 -ATOM 126 H H . THR A 1 12 ? -7.147 -0.445 29.378 1.00 15.00 ? ? ? ? ? ? 12 THR A H 1 -ATOM 127 H HG1 . THR A 1 12 ? -8.439 -3.503 29.623 1.00 15.00 ? ? ? ? ? ? 12 THR A HG1 1 -ATOM 128 N N . ILE A 1 13 ? -9.871 -0.754 26.084 1.00 9.17 ? ? ? ? ? ? 13 ILE A N 1 -ATOM 129 C CA . ILE A 1 13 ? -10.756 0.212 25.415 1.00 12.06 ? ? ? ? ? ? 13 ILE A CA 1 -ATOM 130 C C . ILE A 1 13 ? -12.234 -0.216 25.366 1.00 10.83 ? ? ? ? ? ? 13 ILE A C 1 -ATOM 131 O O . ILE A 1 13 ? -12.538 -1.399 25.368 1.00 9.79 ? ? ? ? ? ? 13 ILE A O 1 -ATOM 132 C CB . ILE A 1 13 ? -10.210 0.567 24.013 1.00 12.82 ? ? ? ? ? ? 13 ILE A CB 1 -ATOM 133 C CG1 . ILE A 1 13 ? -10.268 -0.673 23.102 1.00 13.26 ? ? ? ? ? ? 13 ILE A CG1 1 -ATOM 134 C CG2 . ILE A 1 13 ? -8.775 1.089 24.152 1.00 10.61 ? ? ? ? ? ? 13 ILE A CG2 1 -ATOM 135 C CD1 . ILE A 1 13 ? -9.741 -0.448 21.680 1.00 8.04 ? ? ? ? ? ? 13 ILE A CD1 1 -ATOM 136 H H . ILE A 1 13 ? -9.726 -1.672 25.742 1.00 15.00 ? ? ? ? ? ? 13 ILE A H 1 -ATOM 137 N N . ARG A 1 14 ? -13.131 0.779 25.310 1.00 11.30 ? ? ? ? ? ? 14 ARG A N 1 -ATOM 138 C CA . ARG A 1 14 ? -14.522 0.471 24.896 1.00 12.92 ? ? ? ? ? ? 14 ARG A CA 1 -ATOM 139 C C . ARG A 1 14 ? -15.041 1.080 23.583 1.00 10.44 ? ? ? ? ? ? 14 ARG A C 1 -ATOM 140 O O . ARG A 1 14 ? -15.093 2.293 23.409 1.00 7.41 ? ? ? ? ? ? 14 ARG A O 1 -ATOM 141 C CB . ARG A 1 14 ? -15.504 0.807 26.012 1.00 14.22 ? ? ? ? ? ? 14 ARG A CB 1 -ATOM 142 C CG . ARG A 1 14 ? -16.864 0.177 25.793 1.00 17.00 ? ? ? ? ? ? 14 ARG A CG 1 -ATOM 143 C CD . ARG A 1 14 ? -17.694 0.101 27.077 1.00 26.96 ? ? ? ? ? ? 14 ARG A CD 1 -ATOM 144 N NE . ARG A 1 14 ? -18.008 1.437 27.592 1.00 36.17 ? ? ? ? ? ? 14 ARG A NE 1 -ATOM 145 C CZ . ARG A 1 14 ? -19.298 1.876 27.717 1.00 37.70 ? ? ? ? ? ? 14 ARG A CZ 1 -ATOM 146 N NH1 . ARG A 1 14 ? -20.333 1.094 27.387 1.00 32.95 ? ? ? ? ? ? 14 ARG A NH1 1 -ATOM 147 N NH2 . ARG A 1 14 ? -19.525 3.107 28.183 1.00 36.64 ? ? ? ? ? ? 14 ARG A NH2 1 -ATOM 148 H H . ARG A 1 14 ? -12.790 1.708 25.451 1.00 15.00 ? ? ? ? ? ? 14 ARG A H 1 -ATOM 149 H HE . ARG A 1 14 ? -17.264 2.048 27.861 1.00 15.00 ? ? ? ? ? ? 14 ARG A HE 1 -ATOM 150 H HH11 . ARG A 1 14 ? -20.172 0.168 27.046 1.00 15.00 ? ? ? ? ? ? 14 ARG A HH11 1 -ATOM 151 H HH12 . ARG A 1 14 ? -21.270 1.431 27.484 1.00 15.00 ? ? ? ? ? ? 14 ARG A HH12 1 -ATOM 152 H HH21 . ARG A 1 14 ? -18.757 3.696 28.432 1.00 15.00 ? ? ? ? ? ? 14 ARG A HH21 1 -ATOM 153 H HH22 . ARG A 1 14 ? -20.463 3.436 28.281 1.00 15.00 ? ? ? ? ? ? 14 ARG A HH22 1 -ATOM 154 N N . ILE A 1 15 ? -15.430 0.176 22.675 1.00 12.87 ? ? ? ? ? ? 15 ILE A N 1 -ATOM 155 C CA . ILE A 1 15 ? -15.898 0.493 21.290 1.00 15.53 ? ? ? ? ? ? 15 ILE A CA 1 -ATOM 156 C C . ILE A 1 15 ? -17.205 -0.298 20.877 1.00 18.97 ? ? ? ? ? ? 15 ILE A C 1 -ATOM 157 O O . ILE A 1 15 ? -17.352 -1.513 21.048 1.00 18.58 ? ? ? ? ? ? 15 ILE A O 1 -ATOM 158 C CB . ILE A 1 15 ? -14.683 0.289 20.287 1.00 11.75 ? ? ? ? ? ? 15 ILE A CB 1 -ATOM 159 C CG1 . ILE A 1 15 ? -14.865 0.767 18.845 1.00 16.54 ? ? ? ? ? ? 15 ILE A CG1 1 -ATOM 160 C CG2 . ILE A 1 15 ? -14.203 -1.165 20.176 1.00 8.01 ? ? ? ? ? ? 15 ILE A CG2 1 -ATOM 161 C CD1 . ILE A 1 15 ? -13.597 0.580 17.968 1.00 8.82 ? ? ? ? ? ? 15 ILE A CD1 1 -ATOM 162 H H . ILE A 1 15 ? -15.304 -0.768 22.981 1.00 15.00 ? ? ? ? ? ? 15 ILE A H 1 -ATOM 163 N N . GLY A 1 16 ? -18.222 0.426 20.372 1.00 17.76 ? ? ? ? ? ? 16 GLY A N 1 -ATOM 164 C CA . GLY A 1 16 ? -19.516 -0.259 20.088 1.00 19.38 ? ? ? ? ? ? 16 GLY A CA 1 -ATOM 165 C C . GLY A 1 16 ? -20.301 -1.000 21.233 1.00 24.46 ? ? ? ? ? ? 16 GLY A C 1 -ATOM 166 O O . GLY A 1 16 ? -20.991 -1.996 21.018 1.00 24.31 ? ? ? ? ? ? 16 GLY A O 1 -ATOM 167 H H . GLY A 1 16 ? -18.033 1.383 20.158 1.00 15.00 ? ? ? ? ? ? 16 GLY A H 1 -ATOM 168 N N . GLY A 1 17 ? -20.087 -0.491 22.484 1.00 24.55 ? ? ? ? ? ? 17 GLY A N 1 -ATOM 169 C CA . GLY A 1 17 ? -20.430 -1.299 23.661 1.00 24.34 ? ? ? ? ? ? 17 GLY A CA 1 -ATOM 170 C C . GLY A 1 17 ? -19.445 -2.433 24.070 1.00 27.45 ? ? ? ? ? ? 17 GLY A C 1 -ATOM 171 O O . GLY A 1 17 ? -19.508 -2.983 25.156 1.00 29.91 ? ? ? ? ? ? 17 GLY A O 1 -ATOM 172 H H . GLY A 1 17 ? -19.559 0.351 22.553 1.00 15.00 ? ? ? ? ? ? 17 GLY A H 1 -ATOM 173 N N . GLN A 1 18 ? -18.495 -2.765 23.170 1.00 26.11 ? ? ? ? ? ? 18 GLN A N 1 -ATOM 174 C CA . GLN A 1 18 ? -17.478 -3.803 23.456 1.00 20.99 ? ? ? ? ? ? 18 GLN A CA 1 -ATOM 175 C C . GLN A 1 18 ? -16.203 -3.371 24.218 1.00 15.25 ? ? ? ? ? ? 18 GLN A C 1 -ATOM 176 O O . GLN A 1 18 ? -15.635 -2.312 23.997 1.00 11.39 ? ? ? ? ? ? 18 GLN A O 1 -ATOM 177 C CB . GLN A 1 18 ? -17.005 -4.489 22.166 1.00 23.80 ? ? ? ? ? ? 18 GLN A CB 1 -ATOM 178 C CG . GLN A 1 18 ? -18.029 -4.623 21.041 1.00 32.40 ? ? ? ? ? ? 18 GLN A CG 1 -ATOM 179 C CD . GLN A 1 18 ? -19.152 -5.530 21.478 1.00 38.02 ? ? ? ? ? ? 18 GLN A CD 1 -ATOM 180 O OE1 . GLN A 1 18 ? -18.938 -6.689 21.796 1.00 37.03 ? ? ? ? ? ? 18 GLN A OE1 1 -ATOM 181 N NE2 . GLN A 1 18 ? -20.364 -4.962 21.485 1.00 39.34 ? ? ? ? ? ? 18 GLN A NE2 1 -ATOM 182 H H . GLN A 1 18 ? -18.474 -2.254 22.318 1.00 15.00 ? ? ? ? ? ? 18 GLN A H 1 -ATOM 183 H HE21 . GLN A 1 18 ? -21.093 -5.567 21.790 1.00 15.00 ? ? ? ? ? ? 18 GLN A HE21 1 -ATOM 184 H HE22 . GLN A 1 18 ? -20.563 -4.026 21.197 1.00 15.00 ? ? ? ? ? ? 18 GLN A HE22 1 -ATOM 185 N N . LEU A 1 19 ? -15.782 -4.293 25.086 1.00 11.19 ? ? ? ? ? ? 19 LEU A N 1 -ATOM 186 C CA . LEU A 1 19 ? -14.556 -4.231 25.893 1.00 13.09 ? ? ? ? ? ? 19 LEU A CA 1 -ATOM 187 C C . LEU A 1 19 ? -13.336 -5.013 25.346 1.00 15.36 ? ? ? ? ? ? 19 LEU A C 1 -ATOM 188 O O . LEU A 1 19 ? -13.250 -6.240 25.418 1.00 17.95 ? ? ? ? ? ? 19 LEU A O 1 -ATOM 189 C CB . LEU A 1 19 ? -14.906 -4.687 27.338 1.00 11.59 ? ? ? ? ? ? 19 LEU A CB 1 -ATOM 190 C CG . LEU A 1 19 ? -14.624 -3.661 28.457 1.00 12.93 ? ? ? ? ? ? 19 LEU A CG 1 -ATOM 191 C CD1 . LEU A 1 19 ? -14.946 -2.235 28.030 1.00 11.72 ? ? ? ? ? ? 19 LEU A CD1 1 -ATOM 192 C CD2 . LEU A 1 19 ? -15.342 -3.985 29.758 1.00 11.09 ? ? ? ? ? ? 19 LEU A CD2 1 -ATOM 193 H H . LEU A 1 19 ? -16.371 -5.096 25.148 1.00 15.00 ? ? ? ? ? ? 19 LEU A H 1 -ATOM 194 N N . LYS A 1 20 ? -12.370 -4.247 24.790 1.00 14.09 ? ? ? ? ? ? 20 LYS A N 1 -ATOM 195 C CA . LYS A 1 20 ? -11.142 -4.882 24.258 1.00 14.64 ? ? ? ? ? ? 20 LYS A CA 1 -ATOM 196 C C . LYS A 1 20 ? -9.802 -4.451 24.908 1.00 14.53 ? ? ? ? ? ? 20 LYS A C 1 -ATOM 197 O O . LYS A 1 20 ? -9.642 -3.401 25.505 1.00 12.98 ? ? ? ? ? ? 20 LYS A O 1 -ATOM 198 C CB . LYS A 1 20 ? -11.043 -4.676 22.726 1.00 17.47 ? ? ? ? ? ? 20 LYS A CB 1 -ATOM 199 C CG . LYS A 1 20 ? -12.017 -5.389 21.788 1.00 19.14 ? ? ? ? ? ? 20 LYS A CG 1 -ATOM 200 C CD . LYS A 1 20 ? -11.772 -5.048 20.311 1.00 24.53 ? ? ? ? ? ? 20 LYS A CD 1 -ATOM 201 C CE . LYS A 1 20 ? -11.560 -6.280 19.383 1.00 29.82 ? ? ? ? ? ? 20 LYS A CE 1 -ATOM 202 N NZ . LYS A 1 20 ? -11.034 -5.893 18.044 1.00 29.67 ? ? ? ? ? ? 20 LYS A NZ 1 -ATOM 203 H H . LYS A 1 20 ? -12.518 -3.255 24.813 1.00 15.00 ? ? ? ? ? ? 20 LYS A H 1 -ATOM 204 H HZ1 . LYS A 1 20 ? -11.563 -5.071 17.687 1.00 15.00 ? ? ? ? ? ? 20 LYS A HZ1 1 -ATOM 205 H HZ2 . LYS A 1 20 ? -10.029 -5.641 18.136 1.00 15.00 ? ? ? ? ? ? 20 LYS A HZ2 1 -ATOM 206 H HZ3 . LYS A 1 20 ? -11.132 -6.685 17.378 1.00 15.00 ? ? ? ? ? ? 20 LYS A HZ3 1 -ATOM 207 N N . GLU A 1 21 ? -8.793 -5.297 24.735 1.00 17.16 ? ? ? ? ? ? 21 GLU A N 1 -ATOM 208 C CA . GLU A 1 21 ? -7.435 -4.835 25.101 1.00 19.20 ? ? ? ? ? ? 21 GLU A CA 1 -ATOM 209 C C . GLU A 1 21 ? -6.558 -4.227 23.984 1.00 16.65 ? ? ? ? ? ? 21 GLU A C 1 -ATOM 210 O O . GLU A 1 21 ? -6.418 -4.773 22.892 1.00 14.72 ? ? ? ? ? ? 21 GLU A O 1 -ATOM 211 C CB . GLU A 1 21 ? -6.673 -5.991 25.757 1.00 27.98 ? ? ? ? ? ? 21 GLU A CB 1 -ATOM 212 C CG . GLU A 1 21 ? -5.828 -5.575 26.971 1.00 36.72 ? ? ? ? ? ? 21 GLU A CG 1 -ATOM 213 C CD . GLU A 1 21 ? -6.619 -5.622 28.289 1.00 40.40 ? ? ? ? ? ? 21 GLU A CD 1 -ATOM 214 O OE1 . GLU A 1 21 ? -7.802 -5.261 28.334 1.00 40.04 ? ? ? ? ? ? 21 GLU A OE1 1 -ATOM 215 O OE2 . GLU A 1 21 ? -6.026 -6.027 29.287 1.00 43.31 ? ? ? ? ? ? 21 GLU A OE2 1 -ATOM 216 H H . GLU A 1 21 ? -8.967 -6.156 24.259 1.00 15.00 ? ? ? ? ? ? 21 GLU A H 1 -ATOM 217 N N . ALA A 1 22 ? -5.972 -3.066 24.276 1.00 14.75 ? ? ? ? ? ? 22 ALA A N 1 -ATOM 218 C CA . ALA A 1 22 ? -5.100 -2.434 23.260 1.00 11.83 ? ? ? ? ? ? 22 ALA A CA 1 -ATOM 219 C C . ALA A 1 22 ? -3.705 -1.932 23.759 1.00 9.55 ? ? ? ? ? ? 22 ALA A C 1 -ATOM 220 O O . ALA A 1 22 ? -3.453 -1.775 24.948 1.00 7.28 ? ? ? ? ? ? 22 ALA A O 1 -ATOM 221 C CB . ALA A 1 22 ? -5.865 -1.280 22.617 1.00 11.78 ? ? ? ? ? ? 22 ALA A CB 1 -ATOM 222 H H . ALA A 1 22 ? -6.107 -2.677 25.179 1.00 15.00 ? ? ? ? ? ? 22 ALA A H 1 -ATOM 223 N N . LEU A 1 23 ? -2.787 -1.711 22.805 1.00 5.96 ? ? ? ? ? ? 23 LEU A N 1 -ATOM 224 C CA . LEU A 1 23 ? -1.397 -1.289 23.114 1.00 4.12 ? ? ? ? ? ? 23 LEU A CA 1 -ATOM 225 C C . LEU A 1 23 ? -1.118 0.146 22.698 1.00 2.00 ? ? ? ? ? ? 23 LEU A C 1 -ATOM 226 O O . LEU A 1 23 ? -1.441 0.552 21.586 1.00 2.00 ? ? ? ? ? ? 23 LEU A O 1 -ATOM 227 C CB . LEU A 1 23 ? -0.438 -2.253 22.366 1.00 4.90 ? ? ? ? ? ? 23 LEU A CB 1 -ATOM 228 C CG . LEU A 1 23 ? 1.083 -2.186 22.476 1.00 2.00 ? ? ? ? ? ? 23 LEU A CG 1 -ATOM 229 C CD1 . LEU A 1 23 ? 1.571 -2.706 23.809 1.00 7.34 ? ? ? ? ? ? 23 LEU A CD1 1 -ATOM 230 C CD2 . LEU A 1 23 ? 1.744 -3.023 21.405 1.00 3.18 ? ? ? ? ? ? 23 LEU A CD2 1 -ATOM 231 H H . LEU A 1 23 ? -3.068 -1.872 21.862 1.00 15.00 ? ? ? ? ? ? 23 LEU A H 1 -ATOM 232 N N . LEU A 1 24 ? -0.537 0.896 23.624 1.00 2.00 ? ? ? ? ? ? 24 LEU A N 1 -ATOM 233 C CA . LEU A 1 24 ? -0.196 2.267 23.300 1.00 2.00 ? ? ? ? ? ? 24 LEU A CA 1 -ATOM 234 C C . LEU A 1 24 ? 1.124 2.367 22.612 1.00 3.88 ? ? ? ? ? ? 24 LEU A C 1 -ATOM 235 O O . LEU A 1 24 ? 2.176 2.052 23.152 1.00 6.52 ? ? ? ? ? ? 24 LEU A O 1 -ATOM 236 C CB . LEU A 1 24 ? -0.090 3.152 24.536 1.00 9.50 ? ? ? ? ? ? 24 LEU A CB 1 -ATOM 237 C CG . LEU A 1 24 ? -1.255 3.055 25.535 1.00 15.22 ? ? ? ? ? ? 24 LEU A CG 1 -ATOM 238 C CD1 . LEU A 1 24 ? -0.973 3.913 26.770 1.00 12.11 ? ? ? ? ? ? 24 LEU A CD1 1 -ATOM 239 C CD2 . LEU A 1 24 ? -2.622 3.353 24.899 1.00 12.26 ? ? ? ? ? ? 24 LEU A CD2 1 -ATOM 240 H H . LEU A 1 24 ? -0.281 0.454 24.486 1.00 15.00 ? ? ? ? ? ? 24 LEU A H 1 -ATOM 241 N N . ASP A 1 25 ? 1.038 2.790 21.357 1.00 7.69 ? ? ? ? ? ? 25 ASP A N 1 -ATOM 242 C CA . ASP A 1 25 ? 2.150 2.485 20.441 1.00 7.59 ? ? ? ? ? ? 25 ASP A CA 1 -ATOM 243 C C . ASP A 1 25 ? 2.638 3.731 19.715 1.00 7.44 ? ? ? ? ? ? 25 ASP A C 1 -ATOM 244 O O . ASP A 1 25 ? 2.305 3.987 18.574 1.00 8.42 ? ? ? ? ? ? 25 ASP A O 1 -ATOM 245 C CB . ASP A 1 25 ? 1.693 1.332 19.491 1.00 10.29 ? ? ? ? ? ? 25 ASP A CB 1 -ATOM 246 C CG . ASP A 1 25 ? 2.634 0.934 18.354 1.00 14.25 ? ? ? ? ? ? 25 ASP A CG 1 -ATOM 247 O OD1 . ASP A 1 25 ? 3.520 1.687 17.966 1.00 15.67 ? ? ? ? ? ? 25 ASP A OD1 1 -ATOM 248 O OD2 . ASP A 1 25 ? 2.465 -0.161 17.838 1.00 16.99 ? ? ? ? ? ? 25 ASP A OD2 1 -ATOM 249 H H . ASP A 1 25 ? 0.142 3.095 21.017 1.00 15.00 ? ? ? ? ? ? 25 ASP A H 1 -ATOM 250 N N . THR A 1 26 ? 3.487 4.495 20.404 1.00 5.41 ? ? ? ? ? ? 26 THR A N 1 -ATOM 251 C CA . THR A 1 26 ? 3.974 5.754 19.819 1.00 2.13 ? ? ? ? ? ? 26 THR A CA 1 -ATOM 252 C C . THR A 1 26 ? 4.681 5.739 18.455 1.00 2.64 ? ? ? ? ? ? 26 THR A C 1 -ATOM 253 O O . THR A 1 26 ? 4.739 6.713 17.725 1.00 4.71 ? ? ? ? ? ? 26 THR A O 1 -ATOM 254 C CB . THR A 1 26 ? 4.908 6.402 20.819 1.00 3.16 ? ? ? ? ? ? 26 THR A CB 1 -ATOM 255 O OG1 . THR A 1 26 ? 6.075 5.582 21.010 1.00 10.74 ? ? ? ? ? ? 26 THR A OG1 1 -ATOM 256 C CG2 . THR A 1 26 ? 4.172 6.524 22.144 1.00 6.50 ? ? ? ? ? ? 26 THR A CG2 1 -ATOM 257 H H . THR A 1 26 ? 3.761 4.193 21.320 1.00 15.00 ? ? ? ? ? ? 26 THR A H 1 -ATOM 258 H HG1 . THR A 1 26 ? 6.833 6.097 20.712 1.00 15.00 ? ? ? ? ? ? 26 THR A HG1 1 -ATOM 259 N N . GLY A 1 27 ? 5.240 4.582 18.101 1.00 3.99 ? ? ? ? ? ? 27 GLY A N 1 -ATOM 260 C CA . GLY A 1 27 ? 5.764 4.489 16.717 1.00 5.22 ? ? ? ? ? ? 27 GLY A CA 1 -ATOM 261 C C . GLY A 1 27 ? 4.807 4.080 15.556 1.00 4.61 ? ? ? ? ? ? 27 GLY A C 1 -ATOM 262 O O . GLY A 1 27 ? 5.169 3.927 14.399 1.00 3.35 ? ? ? ? ? ? 27 GLY A O 1 -ATOM 263 H H . GLY A 1 27 ? 5.207 3.817 18.736 1.00 15.00 ? ? ? ? ? ? 27 GLY A H 1 -ATOM 264 N N . ALA A 1 28 ? 3.519 3.982 15.911 1.00 6.91 ? ? ? ? ? ? 28 ALA A N 1 -ATOM 265 C CA . ALA A 1 28 ? 2.455 3.921 14.904 1.00 3.02 ? ? ? ? ? ? 28 ALA A CA 1 -ATOM 266 C C . ALA A 1 28 ? 1.731 5.256 14.687 1.00 3.42 ? ? ? ? ? ? 28 ALA A C 1 -ATOM 267 O O . ALA A 1 28 ? 1.156 5.870 15.572 1.00 3.02 ? ? ? ? ? ? 28 ALA A O 1 -ATOM 268 C CB . ALA A 1 28 ? 1.433 2.831 15.275 1.00 2.00 ? ? ? ? ? ? 28 ALA A CB 1 -ATOM 269 H H . ALA A 1 28 ? 3.297 4.070 16.878 1.00 15.00 ? ? ? ? ? ? 28 ALA A H 1 -ATOM 270 N N . ASP A 1 29 ? 1.735 5.695 13.417 1.00 3.92 ? ? ? ? ? ? 29 ASP A N 1 -ATOM 271 C CA . ASP A 1 29 ? 0.961 6.906 13.082 1.00 6.42 ? ? ? ? ? ? 29 ASP A CA 1 -ATOM 272 C C . ASP A 1 29 ? -0.564 6.870 13.321 1.00 6.90 ? ? ? ? ? ? 29 ASP A C 1 -ATOM 273 O O . ASP A 1 29 ? -1.237 7.831 13.680 1.00 7.18 ? ? ? ? ? ? 29 ASP A O 1 -ATOM 274 C CB . ASP A 1 29 ? 1.214 7.334 11.621 1.00 10.78 ? ? ? ? ? ? 29 ASP A CB 1 -ATOM 275 C CG . ASP A 1 29 ? 2.652 7.723 11.241 1.00 16.60 ? ? ? ? ? ? 29 ASP A CG 1 -ATOM 276 O OD1 . ASP A 1 29 ? 3.473 8.024 12.119 1.00 16.61 ? ? ? ? ? ? 29 ASP A OD1 1 -ATOM 277 O OD2 . ASP A 1 29 ? 2.937 7.729 10.035 1.00 19.82 ? ? ? ? ? ? 29 ASP A OD2 1 -ATOM 278 H H . ASP A 1 29 ? 2.329 5.189 12.788 1.00 15.00 ? ? ? ? ? ? 29 ASP A H 1 -ATOM 279 N N . ASP A 1 30 ? -1.060 5.654 13.068 1.00 10.14 ? ? ? ? ? ? 30 ASP A N 1 -ATOM 280 C CA . ASP A 1 30 ? -2.488 5.277 13.093 1.00 9.04 ? ? ? ? ? ? 30 ASP A CA 1 -ATOM 281 C C . ASP A 1 30 ? -2.819 4.094 14.037 1.00 10.66 ? ? ? ? ? ? 30 ASP A C 1 -ATOM 282 O O . ASP A 1 30 ? -1.961 3.353 14.529 1.00 10.32 ? ? ? ? ? ? 30 ASP A O 1 -ATOM 283 C CB . ASP A 1 30 ? -3.013 4.874 11.694 1.00 8.49 ? ? ? ? ? ? 30 ASP A CB 1 -ATOM 284 C CG . ASP A 1 30 ? -2.604 5.771 10.511 1.00 12.48 ? ? ? ? ? ? 30 ASP A CG 1 -ATOM 285 O OD1 . ASP A 1 30 ? -2.969 6.951 10.471 1.00 13.46 ? ? ? ? ? ? 30 ASP A OD1 1 -ATOM 286 O OD2 . ASP A 1 30 ? -1.929 5.277 9.606 1.00 14.26 ? ? ? ? ? ? 30 ASP A OD2 1 -ATOM 287 H H . ASP A 1 30 ? -0.378 4.955 12.866 1.00 15.00 ? ? ? ? ? ? 30 ASP A H 1 -ATOM 288 N N . THR A 1 31 ? -4.147 3.987 14.228 1.00 10.75 ? ? ? ? ? ? 31 THR A N 1 -ATOM 289 C CA . THR A 1 31 ? -4.846 3.005 15.081 1.00 8.58 ? ? ? ? ? ? 31 THR A CA 1 -ATOM 290 C C . THR A 1 31 ? -5.458 1.897 14.250 1.00 14.08 ? ? ? ? ? ? 31 THR A C 1 -ATOM 291 O O . THR A 1 31 ? -6.255 2.173 13.366 1.00 17.64 ? ? ? ? ? ? 31 THR A O 1 -ATOM 292 C CB . THR A 1 31 ? -5.964 3.748 15.851 1.00 8.52 ? ? ? ? ? ? 31 THR A CB 1 -ATOM 293 O OG1 . THR A 1 31 ? -5.386 4.814 16.619 1.00 5.59 ? ? ? ? ? ? 31 THR A OG1 1 -ATOM 294 C CG2 . THR A 1 31 ? -6.900 2.920 16.750 1.00 5.14 ? ? ? ? ? ? 31 THR A CG2 1 -ATOM 295 H H . THR A 1 31 ? -4.696 4.667 13.750 1.00 15.00 ? ? ? ? ? ? 31 THR A H 1 -ATOM 296 H HG1 . THR A 1 31 ? -5.542 5.620 16.140 1.00 15.00 ? ? ? ? ? ? 31 THR A HG1 1 -ATOM 297 N N . VAL A 1 32 ? -5.041 0.651 14.549 1.00 14.57 ? ? ? ? ? ? 32 VAL A N 1 -ATOM 298 C CA . VAL A 1 32 ? -5.394 -0.599 13.818 1.00 11.51 ? ? ? ? ? ? 32 VAL A CA 1 -ATOM 299 C C . VAL A 1 32 ? -5.834 -1.722 14.783 1.00 12.42 ? ? ? ? ? ? 32 VAL A C 1 -ATOM 300 O O . VAL A 1 32 ? -5.219 -2.060 15.809 1.00 9.55 ? ? ? ? ? ? 32 VAL A O 1 -ATOM 301 C CB . VAL A 1 32 ? -4.226 -1.172 12.961 1.00 11.77 ? ? ? ? ? ? 32 VAL A CB 1 -ATOM 302 C CG1 . VAL A 1 32 ? -4.659 -2.391 12.146 1.00 7.51 ? ? ? ? ? ? 32 VAL A CG1 1 -ATOM 303 C CG2 . VAL A 1 32 ? -3.615 -0.156 11.996 1.00 9.56 ? ? ? ? ? ? 32 VAL A CG2 1 -ATOM 304 H H . VAL A 1 32 ? -4.480 0.606 15.379 1.00 15.00 ? ? ? ? ? ? 32 VAL A H 1 -ATOM 305 N N . LEU A 1 33 ? -6.996 -2.262 14.399 1.00 8.46 ? ? ? ? ? ? 33 LEU A N 1 -ATOM 306 C CA . LEU A 1 33 ? -7.736 -3.086 15.361 1.00 6.71 ? ? ? ? ? ? 33 LEU A CA 1 -ATOM 307 C C . LEU A 1 33 ? -8.115 -4.411 14.697 1.00 5.60 ? ? ? ? ? ? 33 LEU A C 1 -ATOM 308 O O . LEU A 1 33 ? -8.200 -4.467 13.472 1.00 5.00 ? ? ? ? ? ? 33 LEU A O 1 -ATOM 309 C CB . LEU A 1 33 ? -8.939 -2.216 15.805 1.00 9.14 ? ? ? ? ? ? 33 LEU A CB 1 -ATOM 310 C CG . LEU A 1 33 ? -9.079 -1.598 17.233 1.00 11.97 ? ? ? ? ? ? 33 LEU A CG 1 -ATOM 311 C CD1 . LEU A 1 33 ? -7.885 -0.913 17.897 1.00 8.88 ? ? ? ? ? ? 33 LEU A CD1 1 -ATOM 312 C CD2 . LEU A 1 33 ? -10.185 -0.573 17.172 1.00 15.65 ? ? ? ? ? ? 33 LEU A CD2 1 -ATOM 313 H H . LEU A 1 33 ? -7.396 -1.982 13.525 1.00 15.00 ? ? ? ? ? ? 33 LEU A H 1 -ATOM 314 N N . GLU A 1 34 ? -8.299 -5.481 15.493 1.00 6.68 ? ? ? ? ? ? 34 GLU A N 1 -ATOM 315 C CA . GLU A 1 34 ? -8.591 -6.789 14.850 1.00 10.45 ? ? ? ? ? ? 34 GLU A CA 1 -ATOM 316 C C . GLU A 1 34 ? -9.937 -6.870 14.168 1.00 11.56 ? ? ? ? ? ? 34 GLU A C 1 -ATOM 317 O O . GLU A 1 34 ? -10.780 -6.017 14.371 1.00 13.54 ? ? ? ? ? ? 34 GLU A O 1 -ATOM 318 C CB . GLU A 1 34 ? -8.470 -7.969 15.820 1.00 14.09 ? ? ? ? ? ? 34 GLU A CB 1 -ATOM 319 C CG . GLU A 1 34 ? -7.056 -8.084 16.443 1.00 24.30 ? ? ? ? ? ? 34 GLU A CG 1 -ATOM 320 C CD . GLU A 1 34 ? -7.025 -8.905 17.749 1.00 33.54 ? ? ? ? ? ? 34 GLU A CD 1 -ATOM 321 O OE1 . GLU A 1 34 ? -8.068 -9.169 18.379 1.00 35.23 ? ? ? ? ? ? 34 GLU A OE1 1 -ATOM 322 O OE2 . GLU A 1 34 ? -5.919 -9.262 18.145 1.00 34.97 ? ? ? ? ? ? 34 GLU A OE2 1 -ATOM 323 H H . GLU A 1 34 ? -8.257 -5.324 16.478 1.00 15.00 ? ? ? ? ? ? 34 GLU A H 1 -ATOM 324 N N . GLU A 1 35 ? -10.144 -7.918 13.360 1.00 15.87 ? ? ? ? ? ? 35 GLU A N 1 -ATOM 325 C CA . GLU A 1 35 ? -11.484 -8.118 12.720 1.00 20.76 ? ? ? ? ? ? 35 GLU A CA 1 -ATOM 326 C C . GLU A 1 35 ? -12.751 -7.880 13.549 1.00 19.68 ? ? ? ? ? ? 35 GLU A C 1 -ATOM 327 O O . GLU A 1 35 ? -13.089 -8.704 14.391 1.00 23.35 ? ? ? ? ? ? 35 GLU A O 1 -ATOM 328 C CB . GLU A 1 35 ? -11.714 -9.549 12.214 1.00 20.31 ? ? ? ? ? ? 35 GLU A CB 1 -ATOM 329 C CG . GLU A 1 35 ? -11.549 -9.697 10.718 1.00 30.20 ? ? ? ? ? ? 35 GLU A CG 1 -ATOM 330 C CD . GLU A 1 35 ? -12.383 -8.701 9.949 1.00 39.71 ? ? ? ? ? ? 35 GLU A CD 1 -ATOM 331 O OE1 . GLU A 1 35 ? -13.609 -8.709 10.089 1.00 43.68 ? ? ? ? ? ? 35 GLU A OE1 1 -ATOM 332 O OE2 . GLU A 1 35 ? -11.784 -7.927 9.198 1.00 46.22 ? ? ? ? ? ? 35 GLU A OE2 1 -ATOM 333 H H . GLU A 1 35 ? -9.364 -8.507 13.177 1.00 15.00 ? ? ? ? ? ? 35 GLU A H 1 -ATOM 334 N N . MET A 1 36 ? -13.447 -6.776 13.230 1.00 13.95 ? ? ? ? ? ? 36 MET A N 1 -ATOM 335 C CA . MET A 1 36 ? -14.799 -6.605 13.769 1.00 10.73 ? ? ? ? ? ? 36 MET A CA 1 -ATOM 336 C C . MET A 1 36 ? -15.834 -5.918 12.828 1.00 13.63 ? ? ? ? ? ? 36 MET A C 1 -ATOM 337 O O . MET A 1 36 ? -15.547 -5.316 11.794 1.00 11.97 ? ? ? ? ? ? 36 MET A O 1 -ATOM 338 C CB . MET A 1 36 ? -14.754 -5.925 15.136 1.00 6.21 ? ? ? ? ? ? 36 MET A CB 1 -ATOM 339 C CG . MET A 1 36 ? -14.475 -4.427 14.916 1.00 14.27 ? ? ? ? ? ? 36 MET A CG 1 -ATOM 340 S SD . MET A 1 36 ? -14.218 -3.469 16.396 1.00 15.34 ? ? ? ? ? ? 36 MET A SD 1 -ATOM 341 C CE . MET A 1 36 ? -15.640 -3.903 17.405 1.00 13.96 ? ? ? ? ? ? 36 MET A CE 1 -ATOM 342 H H . MET A 1 36 ? -13.002 -6.089 12.656 1.00 15.00 ? ? ? ? ? ? 36 MET A H 1 -ATOM 343 N N . ASN A 1 37 ? -17.086 -6.053 13.291 1.00 11.98 ? ? ? ? ? ? 37 ASN A N 1 -ATOM 344 C CA . ASN A 1 37 ? -18.179 -5.371 12.623 1.00 13.42 ? ? ? ? ? ? 37 ASN A CA 1 -ATOM 345 C C . ASN A 1 37 ? -18.578 -4.047 13.255 1.00 16.43 ? ? ? ? ? ? 37 ASN A C 1 -ATOM 346 O O . ASN A 1 37 ? -19.012 -3.954 14.394 1.00 16.51 ? ? ? ? ? ? 37 ASN A O 1 -ATOM 347 C CB . ASN A 1 37 ? -19.375 -6.301 12.537 1.00 16.24 ? ? ? ? ? ? 37 ASN A CB 1 -ATOM 348 C CG . ASN A 1 37 ? -18.994 -7.301 11.471 1.00 23.68 ? ? ? ? ? ? 37 ASN A CG 1 -ATOM 349 O OD1 . ASN A 1 37 ? -18.624 -6.954 10.357 1.00 32.36 ? ? ? ? ? ? 37 ASN A OD1 1 -ATOM 350 N ND2 . ASN A 1 37 ? -19.029 -8.579 11.848 1.00 18.92 ? ? ? ? ? ? 37 ASN A ND2 1 -ATOM 351 H H . ASN A 1 37 ? -17.210 -6.545 14.147 1.00 15.00 ? ? ? ? ? ? 37 ASN A H 1 -ATOM 352 H HD21 . ASN A 1 37 ? -18.634 -9.172 11.152 1.00 15.00 ? ? ? ? ? ? 37 ASN A HD21 1 -ATOM 353 H HD22 . ASN A 1 37 ? -19.424 -8.895 12.704 1.00 15.00 ? ? ? ? ? ? 37 ASN A HD22 1 -ATOM 354 N N . LEU A 1 38 ? -18.379 -3.018 12.440 1.00 16.56 ? ? ? ? ? ? 38 LEU A N 1 -ATOM 355 C CA . LEU A 1 38 ? -18.704 -1.681 12.902 1.00 15.78 ? ? ? ? ? ? 38 LEU A CA 1 -ATOM 356 C C . LEU A 1 38 ? -19.693 -1.009 11.938 1.00 19.85 ? ? ? ? ? ? 38 LEU A C 1 -ATOM 357 O O . LEU A 1 38 ? -19.680 -1.251 10.724 1.00 20.78 ? ? ? ? ? ? 38 LEU A O 1 -ATOM 358 C CB . LEU A 1 38 ? -17.348 -0.970 13.021 1.00 14.49 ? ? ? ? ? ? 38 LEU A CB 1 -ATOM 359 C CG . LEU A 1 38 ? -16.858 -0.246 14.307 1.00 8.64 ? ? ? ? ? ? 38 LEU A CG 1 -ATOM 360 C CD1 . LEU A 1 38 ? -17.074 -0.915 15.666 1.00 5.75 ? ? ? ? ? ? 38 LEU A CD1 1 -ATOM 361 C CD2 . LEU A 1 38 ? -15.366 -0.009 14.154 1.00 5.18 ? ? ? ? ? ? 38 LEU A CD2 1 -ATOM 362 H H . LEU A 1 38 ? -17.966 -3.206 11.549 1.00 15.00 ? ? ? ? ? ? 38 LEU A H 1 -ATOM 363 N N . PRO A 1 39 ? -20.594 -0.180 12.534 1.00 22.42 ? ? ? ? ? ? 39 PRO A N 1 -ATOM 364 C CA . PRO A 1 39 ? -21.611 0.588 11.771 1.00 26.77 ? ? ? ? ? ? 39 PRO A CA 1 -ATOM 365 C C . PRO A 1 39 ? -21.130 1.539 10.665 1.00 29.54 ? ? ? ? ? ? 39 PRO A C 1 -ATOM 366 O O . PRO A 1 39 ? -20.396 2.503 10.868 1.00 29.99 ? ? ? ? ? ? 39 PRO A O 1 -ATOM 367 C CB . PRO A 1 39 ? -22.332 1.421 12.823 1.00 24.85 ? ? ? ? ? ? 39 PRO A CB 1 -ATOM 368 C CG . PRO A 1 39 ? -22.072 0.681 14.122 1.00 28.76 ? ? ? ? ? ? 39 PRO A CG 1 -ATOM 369 C CD . PRO A 1 39 ? -20.699 0.052 13.959 1.00 21.86 ? ? ? ? ? ? 39 PRO A CD 1 -ATOM 370 N N . GLY A 1 40 ? -21.657 1.274 9.478 1.00 28.51 ? ? ? ? ? ? 40 GLY A N 1 -ATOM 371 C CA . GLY A 1 40 ? -21.516 2.378 8.526 1.00 28.87 ? ? ? ? ? ? 40 GLY A CA 1 -ATOM 372 C C . GLY A 1 40 ? -20.618 2.162 7.311 1.00 30.87 ? ? ? ? ? ? 40 GLY A C 1 -ATOM 373 O O . GLY A 1 40 ? -20.231 1.070 6.911 1.00 29.78 ? ? ? ? ? ? 40 GLY A O 1 -ATOM 374 H H . GLY A 1 40 ? -22.057 0.383 9.286 1.00 15.00 ? ? ? ? ? ? 40 GLY A H 1 -ATOM 375 N N . LYS A 1 41 ? -20.343 3.293 6.680 1.00 33.12 ? ? ? ? ? ? 41 LYS A N 1 -ATOM 376 C CA . LYS A 1 41 ? -19.625 3.137 5.415 1.00 37.91 ? ? ? ? ? ? 41 LYS A CA 1 -ATOM 377 C C . LYS A 1 41 ? -18.101 3.232 5.504 1.00 38.30 ? ? ? ? ? ? 41 LYS A C 1 -ATOM 378 O O . LYS A 1 41 ? -17.526 4.054 6.207 1.00 42.40 ? ? ? ? ? ? 41 LYS A O 1 -ATOM 379 C CB . LYS A 1 41 ? -20.195 4.083 4.341 1.00 41.89 ? ? ? ? ? ? 41 LYS A CB 1 -ATOM 380 C CG . LYS A 1 41 ? -21.035 3.347 3.297 1.00 42.36 ? ? ? ? ? ? 41 LYS A CG 1 -ATOM 381 C CD . LYS A 1 41 ? -20.669 3.854 1.902 1.00 48.74 ? ? ? ? ? ? 41 LYS A CD 1 -ATOM 382 C CE . LYS A 1 41 ? -21.210 3.011 0.734 1.00 51.48 ? ? ? ? ? ? 41 LYS A CE 1 -ATOM 383 N NZ . LYS A 1 41 ? -20.639 3.508 -0.530 1.00 50.33 ? ? ? ? ? ? 41 LYS A NZ 1 -ATOM 384 H H . LYS A 1 41 ? -20.527 4.159 7.137 1.00 15.00 ? ? ? ? ? ? 41 LYS A H 1 -ATOM 385 H HZ1 . LYS A 1 41 ? -20.796 4.534 -0.598 1.00 15.00 ? ? ? ? ? ? 41 LYS A HZ1 1 -ATOM 386 H HZ2 . LYS A 1 41 ? -19.617 3.316 -0.550 1.00 15.00 ? ? ? ? ? ? 41 LYS A HZ2 1 -ATOM 387 H HZ3 . LYS A 1 41 ? -21.094 3.036 -1.338 1.00 15.00 ? ? ? ? ? ? 41 LYS A HZ3 1 -ATOM 388 N N . TRP A 1 42 ? -17.466 2.327 4.774 1.00 34.90 ? ? ? ? ? ? 42 TRP A N 1 -ATOM 389 C CA . TRP A 1 42 ? -16.020 2.225 4.935 1.00 30.92 ? ? ? ? ? ? 42 TRP A CA 1 -ATOM 390 C C . TRP A 1 42 ? -15.259 2.241 3.615 1.00 33.72 ? ? ? ? ? ? 42 TRP A C 1 -ATOM 391 O O . TRP A 1 42 ? -15.677 1.739 2.572 1.00 35.04 ? ? ? ? ? ? 42 TRP A O 1 -ATOM 392 C CB . TRP A 1 42 ? -15.640 0.985 5.734 1.00 24.59 ? ? ? ? ? ? 42 TRP A CB 1 -ATOM 393 C CG . TRP A 1 42 ? -16.258 -0.178 5.014 1.00 26.07 ? ? ? ? ? ? 42 TRP A CG 1 -ATOM 394 C CD1 . TRP A 1 42 ? -17.588 -0.603 5.142 1.00 27.36 ? ? ? ? ? ? 42 TRP A CD1 1 -ATOM 395 C CD2 . TRP A 1 42 ? -15.682 -1.014 3.985 1.00 28.61 ? ? ? ? ? ? 42 TRP A CD2 1 -ATOM 396 N NE1 . TRP A 1 42 ? -17.863 -1.611 4.282 1.00 31.74 ? ? ? ? ? ? 42 TRP A NE1 1 -ATOM 397 C CE2 . TRP A 1 42 ? -16.714 -1.914 3.550 1.00 31.16 ? ? ? ? ? ? 42 TRP A CE2 1 -ATOM 398 C CE3 . TRP A 1 42 ? -14.401 -1.100 3.396 1.00 28.02 ? ? ? ? ? ? 42 TRP A CE3 1 -ATOM 399 C CZ2 . TRP A 1 42 ? -16.443 -2.867 2.537 1.00 24.44 ? ? ? ? ? ? 42 TRP A CZ2 1 -ATOM 400 C CZ3 . TRP A 1 42 ? -14.145 -2.056 2.386 1.00 22.00 ? ? ? ? ? ? 42 TRP A CZ3 1 -ATOM 401 C CH2 . TRP A 1 42 ? -15.154 -2.938 1.967 1.00 21.98 ? ? ? ? ? ? 42 TRP A CH2 1 -ATOM 402 H H . TRP A 1 42 ? -17.981 1.727 4.167 1.00 15.00 ? ? ? ? ? ? 42 TRP A H 1 -ATOM 403 H HE1 . TRP A 1 42 ? -18.729 -2.063 4.206 1.00 15.00 ? ? ? ? ? ? 42 TRP A HE1 1 -ATOM 404 N N . LYS A 1 43 ? -14.085 2.847 3.741 1.00 32.75 ? ? ? ? ? ? 43 LYS A N 1 -ATOM 405 C CA . LYS A 1 43 ? -13.177 2.907 2.604 1.00 30.62 ? ? ? ? ? ? 43 LYS A CA 1 -ATOM 406 C C . LYS A 1 43 ? -12.023 1.867 2.694 1.00 27.14 ? ? ? ? ? ? 43 LYS A C 1 -ATOM 407 O O . LYS A 1 43 ? -11.369 1.726 3.716 1.00 22.53 ? ? ? ? ? ? 43 LYS A O 1 -ATOM 408 C CB . LYS A 1 43 ? -12.716 4.372 2.591 1.00 33.09 ? ? ? ? ? ? 43 LYS A CB 1 -ATOM 409 C CG . LYS A 1 43 ? -11.786 4.732 1.446 1.00 41.34 ? ? ? ? ? ? 43 LYS A CG 1 -ATOM 410 C CD . LYS A 1 43 ? -10.974 5.998 1.713 1.00 49.18 ? ? ? ? ? ? 43 LYS A CD 1 -ATOM 411 C CE . LYS A 1 43 ? -9.514 5.868 1.216 1.00 54.01 ? ? ? ? ? ? 43 LYS A CE 1 -ATOM 412 N NZ . LYS A 1 43 ? -8.786 4.797 1.932 1.00 50.64 ? ? ? ? ? ? 43 LYS A NZ 1 -ATOM 413 H H . LYS A 1 43 ? -13.846 3.198 4.649 1.00 15.00 ? ? ? ? ? ? 43 LYS A H 1 -ATOM 414 H HZ1 . LYS A 1 43 ? -8.763 5.005 2.951 1.00 15.00 ? ? ? ? ? ? 43 LYS A HZ1 1 -ATOM 415 H HZ2 . LYS A 1 43 ? -9.264 3.887 1.778 1.00 15.00 ? ? ? ? ? ? 43 LYS A HZ2 1 -ATOM 416 H HZ3 . LYS A 1 43 ? -7.812 4.735 1.574 1.00 15.00 ? ? ? ? ? ? 43 LYS A HZ3 1 -ATOM 417 N N . PRO A 1 44 ? -11.769 1.125 1.599 1.00 23.46 ? ? ? ? ? ? 44 PRO A N 1 -ATOM 418 C CA . PRO A 1 44 ? -10.508 0.364 1.498 1.00 23.08 ? ? ? ? ? ? 44 PRO A CA 1 -ATOM 419 C C . PRO A 1 44 ? -9.215 1.173 1.381 1.00 22.15 ? ? ? ? ? ? 44 PRO A C 1 -ATOM 420 O O . PRO A 1 44 ? -9.090 2.205 0.739 1.00 18.72 ? ? ? ? ? ? 44 PRO A O 1 -ATOM 421 C CB . PRO A 1 44 ? -10.712 -0.506 0.266 1.00 23.78 ? ? ? ? ? ? 44 PRO A CB 1 -ATOM 422 C CG . PRO A 1 44 ? -11.689 0.298 -0.581 1.00 24.22 ? ? ? ? ? ? 44 PRO A CG 1 -ATOM 423 C CD . PRO A 1 44 ? -12.609 0.980 0.436 1.00 23.63 ? ? ? ? ? ? 44 PRO A CD 1 -ATOM 424 N N . LYS A 1 45 ? -8.216 0.598 2.050 1.00 25.28 ? ? ? ? ? ? 45 LYS A N 1 -ATOM 425 C CA . LYS A 1 45 ? -6.884 1.223 2.149 1.00 23.40 ? ? ? ? ? ? 45 LYS A CA 1 -ATOM 426 C C . LYS A 1 45 ? -5.758 0.172 2.280 1.00 20.00 ? ? ? ? ? ? 45 LYS A C 1 -ATOM 427 O O . LYS A 1 45 ? -5.897 -0.785 3.026 1.00 20.10 ? ? ? ? ? ? 45 LYS A O 1 -ATOM 428 C CB . LYS A 1 45 ? -6.924 2.167 3.363 1.00 21.78 ? ? ? ? ? ? 45 LYS A CB 1 -ATOM 429 C CG . LYS A 1 45 ? -5.932 3.322 3.377 1.00 24.75 ? ? ? ? ? ? 45 LYS A CG 1 -ATOM 430 C CD . LYS A 1 45 ? -5.897 3.959 4.769 1.00 35.26 ? ? ? ? ? ? 45 LYS A CD 1 -ATOM 431 C CE . LYS A 1 45 ? -5.082 5.271 4.942 1.00 38.29 ? ? ? ? ? ? 45 LYS A CE 1 -ATOM 432 N NZ . LYS A 1 45 ? -5.054 5.680 6.371 1.00 38.89 ? ? ? ? ? ? 45 LYS A NZ 1 -ATOM 433 H H . LYS A 1 45 ? -8.468 -0.179 2.630 1.00 15.00 ? ? ? ? ? ? 45 LYS A H 1 -ATOM 434 H HZ1 . LYS A 1 45 ? -4.624 4.919 6.935 1.00 15.00 ? ? ? ? ? ? 45 LYS A HZ1 1 -ATOM 435 H HZ2 . LYS A 1 45 ? -4.492 6.549 6.476 1.00 15.00 ? ? ? ? ? ? 45 LYS A HZ2 1 -ATOM 436 H HZ3 . LYS A 1 45 ? -6.024 5.850 6.706 1.00 15.00 ? ? ? ? ? ? 45 LYS A HZ3 1 -ATOM 437 N N . MET A 1 46 ? -4.644 0.367 1.567 1.00 20.42 ? ? ? ? ? ? 46 MET A N 1 -ATOM 438 C CA . MET A 1 46 ? -3.404 -0.401 1.915 1.00 22.45 ? ? ? ? ? ? 46 MET A CA 1 -ATOM 439 C C . MET A 1 46 ? -2.345 0.337 2.775 1.00 22.01 ? ? ? ? ? ? 46 MET A C 1 -ATOM 440 O O . MET A 1 46 ? -1.871 1.427 2.447 1.00 22.84 ? ? ? ? ? ? 46 MET A O 1 -ATOM 441 C CB . MET A 1 46 ? -2.621 -0.857 0.685 1.00 21.43 ? ? ? ? ? ? 46 MET A CB 1 -ATOM 442 C CG . MET A 1 46 ? -3.433 -1.507 -0.429 1.00 26.00 ? ? ? ? ? ? 46 MET A CG 1 -ATOM 443 S SD . MET A 1 46 ? -3.572 -3.280 -0.248 1.00 33.71 ? ? ? ? ? ? 46 MET A SD 1 -ATOM 444 C CE . MET A 1 46 ? -1.806 -3.607 -0.201 1.00 33.67 ? ? ? ? ? ? 46 MET A CE 1 -ATOM 445 H H . MET A 1 46 ? -4.635 1.130 0.924 1.00 15.00 ? ? ? ? ? ? 46 MET A H 1 -ATOM 446 N N . ILE A 1 47 ? -1.967 -0.307 3.889 1.00 19.66 ? ? ? ? ? ? 47 ILE A N 1 -ATOM 447 C CA . ILE A 1 47 ? -0.898 0.272 4.742 1.00 13.85 ? ? ? ? ? ? 47 ILE A CA 1 -ATOM 448 C C . ILE A 1 47 ? 0.461 -0.453 4.862 1.00 10.43 ? ? ? ? ? ? 47 ILE A C 1 -ATOM 449 O O . ILE A 1 47 ? 0.579 -1.641 5.090 1.00 13.68 ? ? ? ? ? ? 47 ILE A O 1 -ATOM 450 C CB . ILE A 1 47 ? -1.466 0.587 6.123 1.00 13.67 ? ? ? ? ? ? 47 ILE A CB 1 -ATOM 451 C CG1 . ILE A 1 47 ? -1.712 -0.683 6.942 1.00 10.96 ? ? ? ? ? ? 47 ILE A CG1 1 -ATOM 452 C CG2 . ILE A 1 47 ? -2.734 1.446 5.944 1.00 9.75 ? ? ? ? ? ? 47 ILE A CG2 1 -ATOM 453 C CD1 . ILE A 1 47 ? -1.279 -0.564 8.399 1.00 9.43 ? ? ? ? ? ? 47 ILE A CD1 1 -ATOM 454 H H . ILE A 1 47 ? -2.401 -1.189 4.069 1.00 15.00 ? ? ? ? ? ? 47 ILE A H 1 -ATOM 455 N N . GLY A 1 48 ? 1.541 0.287 4.685 1.00 12.48 ? ? ? ? ? ? 48 GLY A N 1 -ATOM 456 C CA . GLY A 1 48 ? 2.810 -0.455 4.774 1.00 10.79 ? ? ? ? ? ? 48 GLY A CA 1 -ATOM 457 C C . GLY A 1 48 ? 3.501 -0.450 6.124 1.00 8.62 ? ? ? ? ? ? 48 GLY A C 1 -ATOM 458 O O . GLY A 1 48 ? 3.690 0.611 6.685 1.00 10.71 ? ? ? ? ? ? 48 GLY A O 1 -ATOM 459 H H . GLY A 1 48 ? 1.467 1.275 4.566 1.00 15.00 ? ? ? ? ? ? 48 GLY A H 1 -ATOM 460 N N . GLY A 1 49 ? 3.872 -1.638 6.630 1.00 9.15 ? ? ? ? ? ? 49 GLY A N 1 -ATOM 461 C CA . GLY A 1 49 ? 4.667 -1.717 7.878 1.00 8.64 ? ? ? ? ? ? 49 GLY A CA 1 -ATOM 462 C C . GLY A 1 49 ? 6.032 -2.371 7.671 1.00 13.08 ? ? ? ? ? ? 49 GLY A C 1 -ATOM 463 O O . GLY A 1 49 ? 6.401 -2.675 6.548 1.00 11.27 ? ? ? ? ? ? 49 GLY A O 1 -ATOM 464 H H . GLY A 1 49 ? 3.656 -2.448 6.091 1.00 15.00 ? ? ? ? ? ? 49 GLY A H 1 -ATOM 465 N N . ILE A 1 50 ? 6.824 -2.604 8.737 1.00 16.21 ? ? ? ? ? ? 50 ILE A N 1 -ATOM 466 C CA . ILE A 1 50 ? 8.168 -3.023 8.290 1.00 18.38 ? ? ? ? ? ? 50 ILE A CA 1 -ATOM 467 C C . ILE A 1 50 ? 8.324 -4.364 7.545 1.00 19.29 ? ? ? ? ? ? 50 ILE A C 1 -ATOM 468 O O . ILE A 1 50 ? 9.159 -4.511 6.670 1.00 21.57 ? ? ? ? ? ? 50 ILE A O 1 -ATOM 469 C CB . ILE A 1 50 ? 9.340 -2.791 9.305 1.00 19.61 ? ? ? ? ? ? 50 ILE A CB 1 -ATOM 470 C CG1 . ILE A 1 50 ? 9.950 -4.057 9.888 1.00 21.42 ? ? ? ? ? ? 50 ILE A CG1 1 -ATOM 471 C CG2 . ILE A 1 50 ? 9.056 -1.788 10.438 1.00 13.44 ? ? ? ? ? ? 50 ILE A CG2 1 -ATOM 472 C CD1 . ILE A 1 50 ? 11.321 -3.759 10.485 1.00 27.01 ? ? ? ? ? ? 50 ILE A CD1 1 -ATOM 473 H H . ILE A 1 50 ? 6.487 -2.493 9.676 1.00 15.00 ? ? ? ? ? ? 50 ILE A H 1 -ATOM 474 N N . GLY A 1 51 ? 7.463 -5.341 7.897 1.00 19.71 ? ? ? ? ? ? 51 GLY A N 1 -ATOM 475 C CA . GLY A 1 51 ? 7.553 -6.613 7.154 1.00 14.98 ? ? ? ? ? ? 51 GLY A CA 1 -ATOM 476 C C . GLY A 1 51 ? 6.710 -6.733 5.871 1.00 14.89 ? ? ? ? ? ? 51 GLY A C 1 -ATOM 477 O O . GLY A 1 51 ? 6.612 -7.796 5.302 1.00 15.83 ? ? ? ? ? ? 51 GLY A O 1 -ATOM 478 H H . GLY A 1 51 ? 6.725 -5.156 8.547 1.00 15.00 ? ? ? ? ? ? 51 GLY A H 1 -ATOM 479 N N . GLY A 1 52 ? 6.075 -5.619 5.421 1.00 18.52 ? ? ? ? ? ? 52 GLY A N 1 -ATOM 480 C CA . GLY A 1 52 ? 5.285 -5.622 4.169 1.00 13.59 ? ? ? ? ? ? 52 GLY A CA 1 -ATOM 481 C C . GLY A 1 52 ? 3.992 -4.783 4.145 1.00 13.84 ? ? ? ? ? ? 52 GLY A C 1 -ATOM 482 O O . GLY A 1 52 ? 3.774 -3.944 5.001 1.00 14.07 ? ? ? ? ? ? 52 GLY A O 1 -ATOM 483 H H . GLY A 1 52 ? 6.253 -4.766 5.912 1.00 15.00 ? ? ? ? ? ? 52 GLY A H 1 -ATOM 484 N N . PHE A 1 53 ? 3.129 -5.045 3.137 1.00 15.75 ? ? ? ? ? ? 53 PHE A N 1 -ATOM 485 C CA . PHE A 1 53 ? 1.825 -4.369 2.984 1.00 17.32 ? ? ? ? ? ? 53 PHE A CA 1 -ATOM 486 C C . PHE A 1 53 ? 0.629 -5.087 3.565 1.00 23.07 ? ? ? ? ? ? 53 PHE A C 1 -ATOM 487 O O . PHE A 1 53 ? 0.349 -6.209 3.169 1.00 29.18 ? ? ? ? ? ? 53 PHE A O 1 -ATOM 488 C CB . PHE A 1 53 ? 1.380 -4.225 1.535 1.00 15.75 ? ? ? ? ? ? 53 PHE A CB 1 -ATOM 489 C CG . PHE A 1 53 ? 1.930 -2.972 0.914 1.00 17.91 ? ? ? ? ? ? 53 PHE A CG 1 -ATOM 490 C CD1 . PHE A 1 53 ? 1.601 -1.710 1.440 1.00 23.67 ? ? ? ? ? ? 53 PHE A CD1 1 -ATOM 491 C CD2 . PHE A 1 53 ? 2.811 -3.091 -0.166 1.00 21.23 ? ? ? ? ? ? 53 PHE A CD2 1 -ATOM 492 C CE1 . PHE A 1 53 ? 2.265 -0.559 0.964 1.00 25.07 ? ? ? ? ? ? 53 PHE A CE1 1 -ATOM 493 C CE2 . PHE A 1 53 ? 3.469 -1.951 -0.659 1.00 24.15 ? ? ? ? ? ? 53 PHE A CE2 1 -ATOM 494 C CZ . PHE A 1 53 ? 3.232 -0.704 -0.047 1.00 26.52 ? ? ? ? ? ? 53 PHE A CZ 1 -ATOM 495 H H . PHE A 1 53 ? 3.394 -5.798 2.536 1.00 15.00 ? ? ? ? ? ? 53 PHE A H 1 -ATOM 496 N N . ILE A 1 54 ? -0.129 -4.404 4.444 1.00 22.84 ? ? ? ? ? ? 54 ILE A N 1 -ATOM 497 C CA . ILE A 1 54 ? -1.485 -4.944 4.682 1.00 19.56 ? ? ? ? ? ? 54 ILE A CA 1 -ATOM 498 C C . ILE A 1 54 ? -2.705 -4.183 4.103 1.00 20.37 ? ? ? ? ? ? 54 ILE A C 1 -ATOM 499 O O . ILE A 1 54 ? -2.698 -3.007 3.755 1.00 21.02 ? ? ? ? ? ? 54 ILE A O 1 -ATOM 500 C CB . ILE A 1 54 ? -1.731 -5.333 6.163 1.00 18.04 ? ? ? ? ? ? 54 ILE A CB 1 -ATOM 501 C CG1 . ILE A 1 54 ? -1.860 -4.152 7.112 1.00 14.47 ? ? ? ? ? ? 54 ILE A CG1 1 -ATOM 502 C CG2 . ILE A 1 54 ? -0.682 -6.319 6.686 1.00 12.60 ? ? ? ? ? ? 54 ILE A CG2 1 -ATOM 503 C CD1 . ILE A 1 54 ? -2.069 -4.596 8.565 1.00 17.81 ? ? ? ? ? ? 54 ILE A CD1 1 -ATOM 504 H H . ILE A 1 54 ? 0.185 -3.510 4.767 1.00 15.00 ? ? ? ? ? ? 54 ILE A H 1 -ATOM 505 N N . LYS A 1 55 ? -3.800 -4.939 4.016 1.00 19.34 ? ? ? ? ? ? 55 LYS A N 1 -ATOM 506 C CA . LYS A 1 55 ? -5.043 -4.305 3.566 1.00 18.48 ? ? ? ? ? ? 55 LYS A CA 1 -ATOM 507 C C . LYS A 1 55 ? -6.107 -4.126 4.665 1.00 17.27 ? ? ? ? ? ? 55 LYS A C 1 -ATOM 508 O O . LYS A 1 55 ? -6.276 -4.956 5.550 1.00 14.14 ? ? ? ? ? ? 55 LYS A O 1 -ATOM 509 C CB . LYS A 1 55 ? -5.582 -5.052 2.347 1.00 22.23 ? ? ? ? ? ? 55 LYS A CB 1 -ATOM 510 C CG . LYS A 1 55 ? -6.899 -4.551 1.755 1.00 33.21 ? ? ? ? ? ? 55 LYS A CG 1 -ATOM 511 C CD . LYS A 1 55 ? -7.404 -5.499 0.663 1.00 43.72 ? ? ? ? ? ? 55 LYS A CD 1 -ATOM 512 C CE . LYS A 1 55 ? -8.898 -5.297 0.373 1.00 50.72 ? ? ? ? ? ? 55 LYS A CE 1 -ATOM 513 N NZ . LYS A 1 55 ? -9.336 -6.204 -0.702 1.00 52.98 ? ? ? ? ? ? 55 LYS A NZ 1 -ATOM 514 H H . LYS A 1 55 ? -3.763 -5.884 4.331 1.00 15.00 ? ? ? ? ? ? 55 LYS A H 1 -ATOM 515 H HZ1 . LYS A 1 55 ? -9.059 -7.180 -0.474 1.00 15.00 ? ? ? ? ? ? 55 LYS A HZ1 1 -ATOM 516 H HZ2 . LYS A 1 55 ? -10.370 -6.152 -0.805 1.00 15.00 ? ? ? ? ? ? 55 LYS A HZ2 1 -ATOM 517 H HZ3 . LYS A 1 55 ? -8.888 -5.919 -1.596 1.00 15.00 ? ? ? ? ? ? 55 LYS A HZ3 1 -ATOM 518 N N . VAL A 1 56 ? -6.764 -2.942 4.573 1.00 18.67 ? ? ? ? ? ? 56 VAL A N 1 -ATOM 519 C CA . VAL A 1 56 ? -7.550 -2.360 5.673 1.00 12.05 ? ? ? ? ? ? 56 VAL A CA 1 -ATOM 520 C C . VAL A 1 56 ? -8.917 -1.786 5.308 1.00 8.82 ? ? ? ? ? ? 56 VAL A C 1 -ATOM 521 O O . VAL A 1 56 ? -9.168 -1.353 4.196 1.00 11.63 ? ? ? ? ? ? 56 VAL A O 1 -ATOM 522 C CB . VAL A 1 56 ? -6.603 -1.392 6.391 1.00 7.83 ? ? ? ? ? ? 56 VAL A CB 1 -ATOM 523 C CG1 . VAL A 1 56 ? -6.834 0.091 6.224 1.00 2.00 ? ? ? ? ? ? 56 VAL A CG1 1 -ATOM 524 C CG2 . VAL A 1 56 ? -6.395 -1.903 7.799 1.00 6.80 ? ? ? ? ? ? 56 VAL A CG2 1 -ATOM 525 H H . VAL A 1 56 ? -6.551 -2.385 3.770 1.00 15.00 ? ? ? ? ? ? 56 VAL A H 1 -ATOM 526 N N . ARG A 1 57 ? -9.815 -1.814 6.286 1.00 10.78 ? ? ? ? ? ? 57 ARG A N 1 -ATOM 527 C CA . ARG A 1 57 ? -11.066 -1.048 6.164 1.00 8.48 ? ? ? ? ? ? 57 ARG A CA 1 -ATOM 528 C C . ARG A 1 57 ? -11.091 0.197 7.039 1.00 8.76 ? ? ? ? ? ? 57 ARG A C 1 -ATOM 529 O O . ARG A 1 57 ? -11.111 0.145 8.266 1.00 8.67 ? ? ? ? ? ? 57 ARG A O 1 -ATOM 530 C CB . ARG A 1 57 ? -12.279 -1.893 6.531 1.00 7.92 ? ? ? ? ? ? 57 ARG A CB 1 -ATOM 531 C CG . ARG A 1 57 ? -12.585 -3.018 5.549 1.00 9.23 ? ? ? ? ? ? 57 ARG A CG 1 -ATOM 532 C CD . ARG A 1 57 ? -13.825 -3.819 5.947 1.00 12.88 ? ? ? ? ? ? 57 ARG A CD 1 -ATOM 533 N NE . ARG A 1 57 ? -13.522 -4.972 6.797 1.00 19.41 ? ? ? ? ? ? 57 ARG A NE 1 -ATOM 534 C CZ . ARG A 1 57 ? -14.057 -5.084 8.049 1.00 28.57 ? ? ? ? ? ? 57 ARG A CZ 1 -ATOM 535 N NH1 . ARG A 1 57 ? -14.670 -4.055 8.653 1.00 29.23 ? ? ? ? ? ? 57 ARG A NH1 1 -ATOM 536 N NH2 . ARG A 1 57 ? -14.002 -6.251 8.702 1.00 25.99 ? ? ? ? ? ? 57 ARG A NH2 1 -ATOM 537 H H . ARG A 1 57 ? -9.580 -2.337 7.110 1.00 15.00 ? ? ? ? ? ? 57 ARG A H 1 -ATOM 538 H HE . ARG A 1 57 ? -13.012 -5.747 6.424 1.00 15.00 ? ? ? ? ? ? 57 ARG A HE 1 -ATOM 539 H HH11 . ARG A 1 57 ? -14.734 -3.165 8.198 1.00 15.00 ? ? ? ? ? ? 57 ARG A HH11 1 -ATOM 540 H HH12 . ARG A 1 57 ? -15.067 -4.176 9.562 1.00 15.00 ? ? ? ? ? ? 57 ARG A HH12 1 -ATOM 541 H HH21 . ARG A 1 57 ? -13.559 -7.042 8.279 1.00 15.00 ? ? ? ? ? ? 57 ARG A HH21 1 -ATOM 542 H HH22 . ARG A 1 57 ? -14.403 -6.332 9.613 1.00 15.00 ? ? ? ? ? ? 57 ARG A HH22 1 -ATOM 543 N N . GLN A 1 58 ? -11.083 1.339 6.349 1.00 9.36 ? ? ? ? ? ? 58 GLN A N 1 -ATOM 544 C CA . GLN A 1 58 ? -11.207 2.635 7.013 1.00 7.13 ? ? ? ? ? ? 58 GLN A CA 1 -ATOM 545 C C . GLN A 1 58 ? -12.595 3.074 7.512 1.00 7.78 ? ? ? ? ? ? 58 GLN A C 1 -ATOM 546 O O . GLN A 1 58 ? -13.454 3.367 6.691 1.00 9.82 ? ? ? ? ? ? 58 GLN A O 1 -ATOM 547 C CB . GLN A 1 58 ? -10.584 3.683 6.087 1.00 9.03 ? ? ? ? ? ? 58 GLN A CB 1 -ATOM 548 C CG . GLN A 1 58 ? -10.344 5.049 6.766 1.00 15.66 ? ? ? ? ? ? 58 GLN A CG 1 -ATOM 549 C CD . GLN A 1 58 ? -9.510 5.977 5.891 1.00 16.91 ? ? ? ? ? ? 58 GLN A CD 1 -ATOM 550 O OE1 . GLN A 1 58 ? -9.023 5.669 4.822 1.00 22.25 ? ? ? ? ? ? 58 GLN A OE1 1 -ATOM 551 N NE2 . GLN A 1 58 ? -9.320 7.175 6.380 1.00 13.90 ? ? ? ? ? ? 58 GLN A NE2 1 -ATOM 552 H H . GLN A 1 58 ? -10.980 1.249 5.365 1.00 15.00 ? ? ? ? ? ? 58 GLN A H 1 -ATOM 553 H HE21 . GLN A 1 58 ? -8.751 7.678 5.735 1.00 15.00 ? ? ? ? ? ? 58 GLN A HE21 1 -ATOM 554 H HE22 . GLN A 1 58 ? -9.668 7.526 7.238 1.00 15.00 ? ? ? ? ? ? 58 GLN A HE22 1 -ATOM 555 N N . TYR A 1 59 ? -12.765 3.179 8.860 1.00 4.58 ? ? ? ? ? ? 59 TYR A N 1 -ATOM 556 C CA . TYR A 1 59 ? -13.942 3.885 9.422 1.00 5.07 ? ? ? ? ? ? 59 TYR A CA 1 -ATOM 557 C C . TYR A 1 59 ? -13.682 5.245 10.081 1.00 7.84 ? ? ? ? ? ? 59 TYR A C 1 -ATOM 558 O O . TYR A 1 59 ? -12.843 5.379 10.961 1.00 10.41 ? ? ? ? ? ? 59 TYR A O 1 -ATOM 559 C CB . TYR A 1 59 ? -14.720 3.072 10.477 1.00 5.28 ? ? ? ? ? ? 59 TYR A CB 1 -ATOM 560 C CG . TYR A 1 59 ? -15.178 1.717 9.985 1.00 7.61 ? ? ? ? ? ? 59 TYR A CG 1 -ATOM 561 C CD1 . TYR A 1 59 ? -16.429 1.595 9.367 1.00 7.43 ? ? ? ? ? ? 59 TYR A CD1 1 -ATOM 562 C CD2 . TYR A 1 59 ? -14.333 0.601 10.167 1.00 15.35 ? ? ? ? ? ? 59 TYR A CD2 1 -ATOM 563 C CE1 . TYR A 1 59 ? -16.870 0.332 8.951 1.00 10.12 ? ? ? ? ? ? 59 TYR A CE1 1 -ATOM 564 C CE2 . TYR A 1 59 ? -14.755 -0.666 9.736 1.00 16.82 ? ? ? ? ? ? 59 TYR A CE2 1 -ATOM 565 C CZ . TYR A 1 59 ? -16.046 -0.793 9.181 1.00 16.20 ? ? ? ? ? ? 59 TYR A CZ 1 -ATOM 566 O OH . TYR A 1 59 ? -16.537 -2.052 8.909 1.00 15.62 ? ? ? ? ? ? 59 TYR A OH 1 -ATOM 567 H H . TYR A 1 59 ? -12.060 2.784 9.452 1.00 15.00 ? ? ? ? ? ? 59 TYR A H 1 -ATOM 568 H HH . TYR A 1 59 ? -17.463 -1.979 8.709 1.00 15.00 ? ? ? ? ? ? 59 TYR A HH 1 -ATOM 569 N N . ASP A 1 60 ? -14.420 6.280 9.634 1.00 8.33 ? ? ? ? ? ? 60 ASP A N 1 -ATOM 570 C CA . ASP A 1 60 ? -14.201 7.632 10.191 1.00 8.94 ? ? ? ? ? ? 60 ASP A CA 1 -ATOM 571 C C . ASP A 1 60 ? -15.146 8.076 11.297 1.00 12.12 ? ? ? ? ? ? 60 ASP A C 1 -ATOM 572 O O . ASP A 1 60 ? -16.218 7.526 11.443 1.00 12.98 ? ? ? ? ? ? 60 ASP A O 1 -ATOM 573 C CB . ASP A 1 60 ? -14.214 8.715 9.106 1.00 7.49 ? ? ? ? ? ? 60 ASP A CB 1 -ATOM 574 C CG . ASP A 1 60 ? -13.268 8.367 7.959 1.00 11.05 ? ? ? ? ? ? 60 ASP A CG 1 -ATOM 575 O OD1 . ASP A 1 60 ? -12.124 7.999 8.231 1.00 19.89 ? ? ? ? ? ? 60 ASP A OD1 1 -ATOM 576 O OD2 . ASP A 1 60 ? -13.668 8.458 6.796 1.00 11.72 ? ? ? ? ? ? 60 ASP A OD2 1 -ATOM 577 H H . ASP A 1 60 ? -15.187 6.059 9.035 1.00 15.00 ? ? ? ? ? ? 60 ASP A H 1 -ATOM 578 N N . GLN A 1 61 ? -14.742 9.086 12.089 1.00 13.98 ? ? ? ? ? ? 61 GLN A N 1 -ATOM 579 C CA . GLN A 1 61 ? -15.664 9.514 13.179 1.00 16.08 ? ? ? ? ? ? 61 GLN A CA 1 -ATOM 580 C C . GLN A 1 61 ? -16.363 8.514 14.188 1.00 14.69 ? ? ? ? ? ? 61 GLN A C 1 -ATOM 581 O O . GLN A 1 61 ? -17.532 8.604 14.552 1.00 13.55 ? ? ? ? ? ? 61 GLN A O 1 -ATOM 582 C CB . GLN A 1 61 ? -16.653 10.548 12.637 1.00 19.49 ? ? ? ? ? ? 61 GLN A CB 1 -ATOM 583 C CG . GLN A 1 61 ? -16.031 11.796 11.980 1.00 30.71 ? ? ? ? ? ? 61 GLN A CG 1 -ATOM 584 C CD . GLN A 1 61 ? -15.203 12.627 12.959 1.00 36.70 ? ? ? ? ? ? 61 GLN A CD 1 -ATOM 585 O OE1 . GLN A 1 61 ? -15.341 12.589 14.170 1.00 40.08 ? ? ? ? ? ? 61 GLN A OE1 1 -ATOM 586 N NE2 . GLN A 1 61 ? -14.260 13.384 12.397 1.00 36.53 ? ? ? ? ? ? 61 GLN A NE2 1 -ATOM 587 H H . GLN A 1 61 ? -13.853 9.505 11.941 1.00 15.00 ? ? ? ? ? ? 61 GLN A H 1 -ATOM 588 H HE21 . GLN A 1 61 ? -13.744 13.870 13.098 1.00 15.00 ? ? ? ? ? ? 61 GLN A HE21 1 -ATOM 589 H HE22 . GLN A 1 61 ? -14.115 13.472 11.420 1.00 15.00 ? ? ? ? ? ? 61 GLN A HE22 1 -ATOM 590 N N . ILE A 1 62 ? -15.544 7.560 14.664 1.00 10.58 ? ? ? ? ? ? 62 ILE A N 1 -ATOM 591 C CA . ILE A 1 62 ? -15.963 6.587 15.673 1.00 8.91 ? ? ? ? ? ? 62 ILE A CA 1 -ATOM 592 C C . ILE A 1 62 ? -15.545 6.958 17.114 1.00 12.94 ? ? ? ? ? ? 62 ILE A C 1 -ATOM 593 O O . ILE A 1 62 ? -14.431 7.393 17.403 1.00 10.33 ? ? ? ? ? ? 62 ILE A O 1 -ATOM 594 C CB . ILE A 1 62 ? -15.376 5.225 15.295 1.00 4.78 ? ? ? ? ? ? 62 ILE A CB 1 -ATOM 595 C CG1 . ILE A 1 62 ? -15.670 4.782 13.852 1.00 5.50 ? ? ? ? ? ? 62 ILE A CG1 1 -ATOM 596 C CG2 . ILE A 1 62 ? -15.760 4.140 16.303 1.00 2.00 ? ? ? ? ? ? 62 ILE A CG2 1 -ATOM 597 C CD1 . ILE A 1 62 ? -17.080 4.296 13.470 1.00 6.02 ? ? ? ? ? ? 62 ILE A CD1 1 -ATOM 598 H H . ILE A 1 62 ? -14.604 7.557 14.327 1.00 15.00 ? ? ? ? ? ? 62 ILE A H 1 -ATOM 599 N N . PRO A 1 63 ? -16.523 6.806 18.041 1.00 14.35 ? ? ? ? ? ? 63 PRO A N 1 -ATOM 600 C CA . PRO A 1 63 ? -16.248 7.063 19.462 1.00 11.42 ? ? ? ? ? ? 63 PRO A CA 1 -ATOM 601 C C . PRO A 1 63 ? -15.550 5.916 20.180 1.00 13.82 ? ? ? ? ? ? 63 PRO A C 1 -ATOM 602 O O . PRO A 1 63 ? -16.004 4.771 20.218 1.00 13.36 ? ? ? ? ? ? 63 PRO A O 1 -ATOM 603 C CB . PRO A 1 63 ? -17.636 7.378 20.025 1.00 7.57 ? ? ? ? ? ? 63 PRO A CB 1 -ATOM 604 C CG . PRO A 1 63 ? -18.554 7.567 18.809 1.00 9.23 ? ? ? ? ? ? 63 PRO A CG 1 -ATOM 605 C CD . PRO A 1 63 ? -17.942 6.610 17.786 1.00 14.61 ? ? ? ? ? ? 63 PRO A CD 1 -ATOM 606 N N . VAL A 1 64 ? -14.379 6.277 20.750 1.00 12.69 ? ? ? ? ? ? 64 VAL A N 1 -ATOM 607 C CA . VAL A 1 64 ? -13.736 5.312 21.632 1.00 9.70 ? ? ? ? ? ? 64 VAL A CA 1 -ATOM 608 C C . VAL A 1 64 ? -13.381 5.801 23.031 1.00 8.20 ? ? ? ? ? ? 64 VAL A C 1 -ATOM 609 O O . VAL A 1 64 ? -13.052 6.949 23.305 1.00 8.01 ? ? ? ? ? ? 64 VAL A O 1 -ATOM 610 C CB . VAL A 1 64 ? -12.654 4.392 20.936 1.00 9.79 ? ? ? ? ? ? 64 VAL A CB 1 -ATOM 611 C CG1 . VAL A 1 64 ? -12.700 4.364 19.396 1.00 2.00 ? ? ? ? ? ? 64 VAL A CG1 1 -ATOM 612 C CG2 . VAL A 1 64 ? -11.241 4.495 21.474 1.00 12.10 ? ? ? ? ? ? 64 VAL A CG2 1 -ATOM 613 H H . VAL A 1 64 ? -14.000 7.170 20.528 1.00 15.00 ? ? ? ? ? ? 64 VAL A H 1 -ATOM 614 N N . GLU A 1 65 ? -13.505 4.868 23.955 1.00 7.36 ? ? ? ? ? ? 65 GLU A N 1 -ATOM 615 C CA . GLU A 1 65 ? -12.972 5.193 25.262 1.00 8.29 ? ? ? ? ? ? 65 GLU A CA 1 -ATOM 616 C C . GLU A 1 65 ? -11.712 4.464 25.650 1.00 8.72 ? ? ? ? ? ? 65 GLU A C 1 -ATOM 617 O O . GLU A 1 65 ? -11.632 3.239 25.692 1.00 7.20 ? ? ? ? ? ? 65 GLU A O 1 -ATOM 618 C CB . GLU A 1 65 ? -14.009 4.958 26.331 1.00 16.21 ? ? ? ? ? ? 65 GLU A CB 1 -ATOM 619 C CG . GLU A 1 65 ? -15.173 5.917 26.227 1.00 28.95 ? ? ? ? ? ? 65 GLU A CG 1 -ATOM 620 C CD . GLU A 1 65 ? -16.036 5.762 27.457 1.00 42.00 ? ? ? ? ? ? 65 GLU A CD 1 -ATOM 621 O OE1 . GLU A 1 65 ? -15.655 6.281 28.515 1.00 41.15 ? ? ? ? ? ? 65 GLU A OE1 1 -ATOM 622 O OE2 . GLU A 1 65 ? -17.086 5.118 27.336 1.00 47.92 ? ? ? ? ? ? 65 GLU A OE2 1 -ATOM 623 H H . GLU A 1 65 ? -13.913 3.986 23.705 1.00 15.00 ? ? ? ? ? ? 65 GLU A H 1 -ATOM 624 N N . ILE A 1 66 ? -10.718 5.287 25.964 1.00 12.31 ? ? ? ? ? ? 66 ILE A N 1 -ATOM 625 C CA . ILE A 1 66 ? -9.424 4.746 26.428 1.00 15.55 ? ? ? ? ? ? 66 ILE A CA 1 -ATOM 626 C C . ILE A 1 66 ? -9.134 5.185 27.859 1.00 17.26 ? ? ? ? ? ? 66 ILE A C 1 -ATOM 627 O O . ILE A 1 66 ? -8.955 6.366 28.160 1.00 14.67 ? ? ? ? ? ? 66 ILE A O 1 -ATOM 628 C CB . ILE A 1 66 ? -8.240 5.161 25.497 1.00 14.67 ? ? ? ? ? ? 66 ILE A CB 1 -ATOM 629 C CG1 . ILE A 1 66 ? -8.601 5.198 24.012 1.00 14.16 ? ? ? ? ? ? 66 ILE A CG1 1 -ATOM 630 C CG2 . ILE A 1 66 ? -7.004 4.253 25.635 1.00 12.13 ? ? ? ? ? ? 66 ILE A CG2 1 -ATOM 631 C CD1 . ILE A 1 66 ? -7.499 5.896 23.204 1.00 12.50 ? ? ? ? ? ? 66 ILE A CD1 1 -ATOM 632 H H . ILE A 1 66 ? -10.882 6.267 25.831 1.00 15.00 ? ? ? ? ? ? 66 ILE A H 1 -ATOM 633 N N . CYS A 1 67 ? -9.142 4.196 28.776 1.00 20.80 ? ? ? ? ? ? 67 CYS A N 1 -ATOM 634 C CA . CYS A 1 67 ? -8.903 4.595 30.199 1.00 24.96 ? ? ? ? ? ? 67 CYS A CA 1 -ATOM 635 C C . CYS A 1 67 ? -9.762 5.707 30.862 1.00 25.05 ? ? ? ? ? ? 67 CYS A C 1 -ATOM 636 O O . CYS A 1 67 ? -9.280 6.561 31.606 1.00 25.64 ? ? ? ? ? ? 67 CYS A O 1 -ATOM 637 C CB . CYS A 1 67 ? -7.455 5.015 30.442 1.00 24.85 ? ? ? ? ? ? 67 CYS A CB 1 -ATOM 638 S SG . CYS A 1 67 ? -6.469 3.587 30.789 1.00 34.14 ? ? ? ? ? ? 67 CYS A SG 1 -ATOM 639 H H . CYS A 1 67 ? -9.210 3.247 28.455 1.00 15.00 ? ? ? ? ? ? 67 CYS A H 1 -ATOM 640 N N . GLY A 1 68 ? -11.058 5.710 30.508 1.00 22.38 ? ? ? ? ? ? 68 GLY A N 1 -ATOM 641 C CA . GLY A 1 68 ? -11.856 6.851 30.987 1.00 23.78 ? ? ? ? ? ? 68 GLY A CA 1 -ATOM 642 C C . GLY A 1 68 ? -11.771 8.182 30.210 1.00 25.98 ? ? ? ? ? ? 68 GLY A C 1 -ATOM 643 O O . GLY A 1 68 ? -12.465 9.153 30.491 1.00 30.44 ? ? ? ? ? ? 68 GLY A O 1 -ATOM 644 H H . GLY A 1 68 ? -11.411 5.002 29.905 1.00 15.00 ? ? ? ? ? ? 68 GLY A H 1 -ATOM 645 N N . HIS A 1 69 ? -10.906 8.176 29.182 1.00 22.38 ? ? ? ? ? ? 69 HIS A N 1 -ATOM 646 C CA . HIS A 1 69 ? -10.885 9.341 28.308 1.00 19.25 ? ? ? ? ? ? 69 HIS A CA 1 -ATOM 647 C C . HIS A 1 69 ? -11.555 9.024 27.002 1.00 19.72 ? ? ? ? ? ? 69 HIS A C 1 -ATOM 648 O O . HIS A 1 69 ? -11.320 7.998 26.375 1.00 21.73 ? ? ? ? ? ? 69 HIS A O 1 -ATOM 649 C CB . HIS A 1 69 ? -9.464 9.853 28.056 1.00 20.58 ? ? ? ? ? ? 69 HIS A CB 1 -ATOM 650 C CG . HIS A 1 69 ? -8.777 10.135 29.370 1.00 24.61 ? ? ? ? ? ? 69 HIS A CG 1 -ATOM 651 N ND1 . HIS A 1 69 ? -8.210 9.190 30.156 1.00 27.85 ? ? ? ? ? ? 69 HIS A ND1 1 -ATOM 652 C CD2 . HIS A 1 69 ? -8.662 11.363 30.018 1.00 25.43 ? ? ? ? ? ? 69 HIS A CD2 1 -ATOM 653 C CE1 . HIS A 1 69 ? -7.748 9.797 31.284 1.00 24.14 ? ? ? ? ? ? 69 HIS A CE1 1 -ATOM 654 N NE2 . HIS A 1 69 ? -8.034 11.130 31.196 1.00 22.87 ? ? ? ? ? ? 69 HIS A NE2 1 -ATOM 655 H H . HIS A 1 69 ? -10.316 7.394 29.003 1.00 15.00 ? ? ? ? ? ? 69 HIS A H 1 -ATOM 656 H HD1 . HIS A 1 69 ? -8.149 8.233 29.977 1.00 15.00 ? ? ? ? ? ? 69 HIS A HD1 1 -ATOM 657 N N . LYS A 1 70 ? -12.450 9.933 26.649 1.00 19.65 ? ? ? ? ? ? 70 LYS A N 1 -ATOM 658 C CA . LYS A 1 70 ? -13.221 9.826 25.406 1.00 17.22 ? ? ? ? ? ? 70 LYS A CA 1 -ATOM 659 C C . LYS A 1 70 ? -12.507 10.406 24.163 1.00 15.83 ? ? ? ? ? ? 70 LYS A C 1 -ATOM 660 O O . LYS A 1 70 ? -11.947 11.489 24.204 1.00 15.38 ? ? ? ? ? ? 70 LYS A O 1 -ATOM 661 C CB . LYS A 1 70 ? -14.508 10.605 25.650 1.00 20.19 ? ? ? ? ? ? 70 LYS A CB 1 -ATOM 662 C CG . LYS A 1 70 ? -15.789 9.845 25.956 1.00 30.72 ? ? ? ? ? ? 70 LYS A CG 1 -ATOM 663 C CD . LYS A 1 70 ? -16.197 9.005 24.735 1.00 39.08 ? ? ? ? ? ? 70 LYS A CD 1 -ATOM 664 C CE . LYS A 1 70 ? -16.223 9.752 23.395 1.00 39.55 ? ? ? ? ? ? 70 LYS A CE 1 -ATOM 665 N NZ . LYS A 1 70 ? -15.774 8.786 22.393 1.00 38.04 ? ? ? ? ? ? 70 LYS A NZ 1 -ATOM 666 H H . LYS A 1 70 ? -12.475 10.764 27.198 1.00 15.00 ? ? ? ? ? ? 70 LYS A H 1 -ATOM 667 H HZ1 . LYS A 1 70 ? -14.814 8.468 22.636 1.00 15.00 ? ? ? ? ? ? 70 LYS A HZ1 1 -ATOM 668 H HZ2 . LYS A 1 70 ? -16.418 7.970 22.384 1.00 15.00 ? ? ? ? ? ? 70 LYS A HZ2 1 -ATOM 669 H HZ3 . LYS A 1 70 ? -15.765 9.237 21.456 1.00 15.00 ? ? ? ? ? ? 70 LYS A HZ3 1 -ATOM 670 N N . ALA A 1 71 ? -12.581 9.669 23.053 1.00 14.11 ? ? ? ? ? ? 71 ALA A N 1 -ATOM 671 C CA . ALA A 1 71 ? -12.049 10.164 21.785 1.00 9.65 ? ? ? ? ? ? 71 ALA A CA 1 -ATOM 672 C C . ALA A 1 71 ? -12.950 9.871 20.542 1.00 14.05 ? ? ? ? ? ? 71 ALA A C 1 -ATOM 673 O O . ALA A 1 71 ? -13.774 8.960 20.525 1.00 17.33 ? ? ? ? ? ? 71 ALA A O 1 -ATOM 674 C CB . ALA A 1 71 ? -10.691 9.503 21.588 1.00 13.01 ? ? ? ? ? ? 71 ALA A CB 1 -ATOM 675 H H . ALA A 1 71 ? -12.986 8.761 23.141 1.00 15.00 ? ? ? ? ? ? 71 ALA A H 1 -ATOM 676 N N . ILE A 1 72 ? -12.793 10.673 19.468 1.00 12.13 ? ? ? ? ? ? 72 ILE A N 1 -ATOM 677 C CA . ILE A 1 72 ? -13.614 10.476 18.259 1.00 7.59 ? ? ? ? ? ? 72 ILE A CA 1 -ATOM 678 C C . ILE A 1 72 ? -12.785 10.549 16.968 1.00 7.29 ? ? ? ? ? ? 72 ILE A C 1 -ATOM 679 O O . ILE A 1 72 ? -12.084 11.503 16.658 1.00 7.41 ? ? ? ? ? ? 72 ILE A O 1 -ATOM 680 C CB . ILE A 1 72 ? -14.848 11.451 18.212 1.00 7.82 ? ? ? ? ? ? 72 ILE A CB 1 -ATOM 681 C CG1 . ILE A 1 72 ? -15.644 11.511 19.533 1.00 6.92 ? ? ? ? ? ? 72 ILE A CG1 1 -ATOM 682 C CG2 . ILE A 1 72 ? -15.821 11.024 17.111 1.00 2.99 ? ? ? ? ? ? 72 ILE A CG2 1 -ATOM 683 C CD1 . ILE A 1 72 ? -16.810 12.505 19.598 1.00 7.31 ? ? ? ? ? ? 72 ILE A CD1 1 -ATOM 684 H H . ILE A 1 72 ? -12.094 11.391 19.558 1.00 15.00 ? ? ? ? ? ? 72 ILE A H 1 -ATOM 685 N N . GLY A 1 73 ? -12.812 9.459 16.216 1.00 6.85 ? ? ? ? ? ? 73 GLY A N 1 -ATOM 686 C CA . GLY A 1 73 ? -11.802 9.477 15.165 1.00 3.66 ? ? ? ? ? ? 73 GLY A CA 1 -ATOM 687 C C . GLY A 1 73 ? -11.808 8.290 14.226 1.00 5.70 ? ? ? ? ? ? 73 GLY A C 1 -ATOM 688 O O . GLY A 1 73 ? -12.670 7.431 14.296 1.00 5.13 ? ? ? ? ? ? 73 GLY A O 1 -ATOM 689 H H . GLY A 1 73 ? -13.337 8.653 16.494 1.00 15.00 ? ? ? ? ? ? 73 GLY A H 1 -ATOM 690 N N . THR A 1 74 ? -10.814 8.304 13.326 1.00 4.83 ? ? ? ? ? ? 74 THR A N 1 -ATOM 691 C CA . THR A 1 74 ? -10.557 7.175 12.406 1.00 6.42 ? ? ? ? ? ? 74 THR A CA 1 -ATOM 692 C C . THR A 1 74 ? -9.927 5.876 12.993 1.00 8.54 ? ? ? ? ? ? 74 THR A C 1 -ATOM 693 O O . THR A 1 74 ? -8.938 5.859 13.741 1.00 11.09 ? ? ? ? ? ? 74 THR A O 1 -ATOM 694 C CB . THR A 1 74 ? -9.720 7.753 11.231 1.00 9.90 ? ? ? ? ? ? 74 THR A CB 1 -ATOM 695 O OG1 . THR A 1 74 ? -10.423 8.883 10.688 1.00 6.69 ? ? ? ? ? ? 74 THR A OG1 1 -ATOM 696 C CG2 . THR A 1 74 ? -9.271 6.796 10.104 1.00 9.55 ? ? ? ? ? ? 74 THR A CG2 1 -ATOM 697 H H . THR A 1 74 ? -10.187 9.084 13.351 1.00 15.00 ? ? ? ? ? ? 74 THR A H 1 -ATOM 698 H HG1 . THR A 1 74 ? -11.146 8.537 10.185 1.00 15.00 ? ? ? ? ? ? 74 THR A HG1 1 -ATOM 699 N N . VAL A 1 75 ? -10.581 4.751 12.619 1.00 7.45 ? ? ? ? ? ? 75 VAL A N 1 -ATOM 700 C CA . VAL A 1 75 ? -10.064 3.424 12.999 1.00 3.64 ? ? ? ? ? ? 75 VAL A CA 1 -ATOM 701 C C . VAL A 1 75 ? -10.002 2.529 11.798 1.00 5.50 ? ? ? ? ? ? 75 VAL A C 1 -ATOM 702 O O . VAL A 1 75 ? -10.908 2.484 10.966 1.00 6.60 ? ? ? ? ? ? 75 VAL A O 1 -ATOM 703 C CB . VAL A 1 75 ? -10.751 2.669 14.181 1.00 2.00 ? ? ? ? ? ? 75 VAL A CB 1 -ATOM 704 C CG1 . VAL A 1 75 ? -10.913 3.535 15.429 1.00 2.24 ? ? ? ? ? ? 75 VAL A CG1 1 -ATOM 705 C CG2 . VAL A 1 75 ? -12.074 2.028 13.818 1.00 2.67 ? ? ? ? ? ? 75 VAL A CG2 1 -ATOM 706 H H . VAL A 1 75 ? -11.433 4.856 12.105 1.00 15.00 ? ? ? ? ? ? 75 VAL A H 1 -ATOM 707 N N . LEU A 1 76 ? -8.827 1.882 11.712 1.00 7.70 ? ? ? ? ? ? 76 LEU A N 1 -ATOM 708 C CA . LEU A 1 76 ? -8.560 0.993 10.582 1.00 9.14 ? ? ? ? ? ? 76 LEU A CA 1 -ATOM 709 C C . LEU A 1 76 ? -8.758 -0.411 11.091 1.00 8.24 ? ? ? ? ? ? 76 LEU A C 1 -ATOM 710 O O . LEU A 1 76 ? -8.180 -0.689 12.133 1.00 8.98 ? ? ? ? ? ? 76 LEU A O 1 -ATOM 711 C CB . LEU A 1 76 ? -7.096 1.080 10.170 1.00 10.74 ? ? ? ? ? ? 76 LEU A CB 1 -ATOM 712 C CG . LEU A 1 76 ? -6.554 2.116 9.182 1.00 10.68 ? ? ? ? ? ? 76 LEU A CG 1 -ATOM 713 C CD1 . LEU A 1 76 ? -7.371 3.382 9.044 1.00 7.60 ? ? ? ? ? ? 76 LEU A CD1 1 -ATOM 714 C CD2 . LEU A 1 76 ? -5.065 2.380 9.472 1.00 4.59 ? ? ? ? ? ? 76 LEU A CD2 1 -ATOM 715 H H . LEU A 1 76 ? -8.164 1.978 12.458 1.00 15.00 ? ? ? ? ? ? 76 LEU A H 1 -ATOM 716 N N . VAL A 1 77 ? -9.556 -1.241 10.379 1.00 5.51 ? ? ? ? ? ? 77 VAL A N 1 -ATOM 717 C CA . VAL A 1 77 ? -9.612 -2.615 10.873 1.00 7.56 ? ? ? ? ? ? 77 VAL A CA 1 -ATOM 718 C C . VAL A 1 77 ? -9.067 -3.627 9.884 1.00 11.19 ? ? ? ? ? ? 77 VAL A C 1 -ATOM 719 O O . VAL A 1 77 ? -9.292 -3.527 8.684 1.00 15.24 ? ? ? ? ? ? 77 VAL A O 1 -ATOM 720 C CB . VAL A 1 77 ? -10.965 -3.018 11.575 1.00 10.81 ? ? ? ? ? ? 77 VAL A CB 1 -ATOM 721 C CG1 . VAL A 1 77 ? -11.992 -1.869 11.789 1.00 6.89 ? ? ? ? ? ? 77 VAL A CG1 1 -ATOM 722 C CG2 . VAL A 1 77 ? -11.605 -4.314 11.072 1.00 6.45 ? ? ? ? ? ? 77 VAL A CG2 1 -ATOM 723 H H . VAL A 1 77 ? -10.102 -0.873 9.624 1.00 15.00 ? ? ? ? ? ? 77 VAL A H 1 -ATOM 724 N N . GLY A 1 78 ? -8.247 -4.550 10.439 1.00 14.31 ? ? ? ? ? ? 78 GLY A N 1 -ATOM 725 C CA . GLY A 1 78 ? -7.421 -5.459 9.606 1.00 11.38 ? ? ? ? ? ? 78 GLY A CA 1 -ATOM 726 C C . GLY A 1 78 ? -6.549 -6.491 10.338 1.00 10.04 ? ? ? ? ? ? 78 GLY A C 1 -ATOM 727 O O . GLY A 1 78 ? -6.689 -6.696 11.536 1.00 11.54 ? ? ? ? ? ? 78 GLY A O 1 -ATOM 728 H H . GLY A 1 78 ? -8.172 -4.530 11.440 1.00 15.00 ? ? ? ? ? ? 78 GLY A H 1 -ATOM 729 N N . PRO A 1 79 ? -5.657 -7.198 9.576 1.00 10.23 ? ? ? ? ? ? 79 PRO A N 1 -ATOM 730 C CA . PRO A 1 79 ? -4.843 -8.307 10.160 1.00 8.21 ? ? ? ? ? ? 79 PRO A CA 1 -ATOM 731 C C . PRO A 1 79 ? -3.582 -7.953 10.985 1.00 13.23 ? ? ? ? ? ? 79 PRO A C 1 -ATOM 732 O O . PRO A 1 79 ? -2.449 -8.222 10.618 1.00 21.44 ? ? ? ? ? ? 79 PRO A O 1 -ATOM 733 C CB . PRO A 1 79 ? -4.516 -9.134 8.905 1.00 4.37 ? ? ? ? ? ? 79 PRO A CB 1 -ATOM 734 C CG . PRO A 1 79 ? -4.472 -8.118 7.757 1.00 2.00 ? ? ? ? ? ? 79 PRO A CG 1 -ATOM 735 C CD . PRO A 1 79 ? -5.536 -7.089 8.115 1.00 3.01 ? ? ? ? ? ? 79 PRO A CD 1 -ATOM 736 N N . THR A 1 80 ? -3.793 -7.352 12.147 1.00 16.55 ? ? ? ? ? ? 80 THR A N 1 -ATOM 737 C CA . THR A 1 80 ? -2.668 -6.967 13.039 1.00 14.33 ? ? ? ? ? ? 80 THR A CA 1 -ATOM 738 C C . THR A 1 80 ? -2.414 -7.963 14.181 1.00 14.07 ? ? ? ? ? ? 80 THR A C 1 -ATOM 739 O O . THR A 1 80 ? -3.361 -8.591 14.627 1.00 14.05 ? ? ? ? ? ? 80 THR A O 1 -ATOM 740 C CB . THR A 1 80 ? -2.984 -5.585 13.630 1.00 10.44 ? ? ? ? ? ? 80 THR A CB 1 -ATOM 741 O OG1 . THR A 1 80 ? -2.027 -5.241 14.620 1.00 12.88 ? ? ? ? ? ? 80 THR A OG1 1 -ATOM 742 C CG2 . THR A 1 80 ? -4.388 -5.503 14.223 1.00 4.82 ? ? ? ? ? ? 80 THR A CG2 1 -ATOM 743 H H . THR A 1 80 ? -4.756 -7.257 12.405 1.00 15.00 ? ? ? ? ? ? 80 THR A H 1 -ATOM 744 H HG1 . THR A 1 80 ? -2.528 -4.947 15.384 1.00 15.00 ? ? ? ? ? ? 80 THR A HG1 1 -ATOM 745 N N . PRO A 1 81 ? -1.144 -8.155 14.681 1.00 14.95 ? ? ? ? ? ? 81 PRO A N 1 -ATOM 746 C CA . PRO A 1 81 ? -0.988 -9.139 15.784 1.00 12.96 ? ? ? ? ? ? 81 PRO A CA 1 -ATOM 747 C C . PRO A 1 81 ? -1.790 -8.850 17.053 1.00 12.83 ? ? ? ? ? ? 81 PRO A C 1 -ATOM 748 O O . PRO A 1 81 ? -2.404 -9.713 17.644 1.00 16.23 ? ? ? ? ? ? 81 PRO A O 1 -ATOM 749 C CB . PRO A 1 81 ? 0.521 -9.191 16.065 1.00 7.77 ? ? ? ? ? ? 81 PRO A CB 1 -ATOM 750 C CG . PRO A 1 81 ? 1.178 -8.551 14.848 1.00 7.13 ? ? ? ? ? ? 81 PRO A CG 1 -ATOM 751 C CD . PRO A 1 81 ? 0.139 -7.587 14.270 1.00 10.90 ? ? ? ? ? ? 81 PRO A CD 1 -ATOM 752 N N . VAL A 1 82 ? -1.736 -7.570 17.453 1.00 15.40 ? ? ? ? ? ? 82 VAL A N 1 -ATOM 753 C CA . VAL A 1 82 ? -2.440 -7.017 18.624 1.00 11.41 ? ? ? ? ? ? 82 VAL A CA 1 -ATOM 754 C C . VAL A 1 82 ? -3.373 -5.845 18.241 1.00 10.53 ? ? ? ? ? ? 82 VAL A C 1 -ATOM 755 O O . VAL A 1 82 ? -3.254 -5.294 17.142 1.00 9.57 ? ? ? ? ? ? 82 VAL A O 1 -ATOM 756 C CB . VAL A 1 82 ? -1.397 -6.519 19.651 1.00 9.70 ? ? ? ? ? ? 82 VAL A CB 1 -ATOM 757 C CG1 . VAL A 1 82 ? -0.766 -7.679 20.370 1.00 5.78 ? ? ? ? ? ? 82 VAL A CG1 1 -ATOM 758 C CG2 . VAL A 1 82 ? -0.333 -5.607 19.030 1.00 10.61 ? ? ? ? ? ? 82 VAL A CG2 1 -ATOM 759 H H . VAL A 1 82 ? -1.252 -6.961 16.826 1.00 15.00 ? ? ? ? ? ? 82 VAL A H 1 -ATOM 760 N N . ASN A 1 83 ? -4.242 -5.425 19.203 1.00 5.95 ? ? ? ? ? ? 83 ASN A N 1 -ATOM 761 C CA . ASN A 1 83 ? -4.800 -4.081 18.959 1.00 3.62 ? ? ? ? ? ? 83 ASN A CA 1 -ATOM 762 C C . ASN A 1 83 ? -3.849 -2.918 19.265 1.00 3.68 ? ? ? ? ? ? 83 ASN A C 1 -ATOM 763 O O . ASN A 1 83 ? -3.264 -2.850 20.340 1.00 6.21 ? ? ? ? ? ? 83 ASN A O 1 -ATOM 764 C CB . ASN A 1 83 ? -6.103 -3.838 19.728 1.00 8.40 ? ? ? ? ? ? 83 ASN A CB 1 -ATOM 765 C CG . ASN A 1 83 ? -7.265 -4.688 19.236 1.00 9.86 ? ? ? ? ? ? 83 ASN A CG 1 -ATOM 766 O OD1 . ASN A 1 83 ? -7.744 -4.560 18.129 1.00 15.78 ? ? ? ? ? ? 83 ASN A OD1 1 -ATOM 767 N ND2 . ASN A 1 83 ? -7.765 -5.557 20.102 1.00 6.89 ? ? ? ? ? ? 83 ASN A ND2 1 -ATOM 768 H H . ASN A 1 83 ? -4.312 -5.927 20.062 1.00 15.00 ? ? ? ? ? ? 83 ASN A H 1 -ATOM 769 H HD21 . ASN A 1 83 ? -8.526 -6.068 19.715 1.00 15.00 ? ? ? ? ? ? 83 ASN A HD21 1 -ATOM 770 H HD22 . ASN A 1 83 ? -7.387 -5.635 21.026 1.00 15.00 ? ? ? ? ? ? 83 ASN A HD22 1 -ATOM 771 N N . ILE A 1 84 ? -3.733 -2.018 18.281 1.00 4.44 ? ? ? ? ? ? 84 ILE A N 1 -ATOM 772 C CA . ILE A 1 84 ? -2.820 -0.844 18.286 1.00 6.23 ? ? ? ? ? ? 84 ILE A CA 1 -ATOM 773 C C . ILE A 1 84 ? -3.530 0.548 18.348 1.00 7.54 ? ? ? ? ? ? 84 ILE A C 1 -ATOM 774 O O . ILE A 1 84 ? -4.310 0.914 17.470 1.00 10.49 ? ? ? ? ? ? 84 ILE A O 1 -ATOM 775 C CB . ILE A 1 84 ? -1.917 -0.949 17.005 1.00 9.16 ? ? ? ? ? ? 84 ILE A CB 1 -ATOM 776 C CG1 . ILE A 1 84 ? -0.878 -2.065 17.074 1.00 9.46 ? ? ? ? ? ? 84 ILE A CG1 1 -ATOM 777 C CG2 . ILE A 1 84 ? -1.171 0.325 16.564 1.00 9.37 ? ? ? ? ? ? 84 ILE A CG2 1 -ATOM 778 C CD1 . ILE A 1 84 ? -0.214 -2.279 15.708 1.00 12.32 ? ? ? ? ? ? 84 ILE A CD1 1 -ATOM 779 H H . ILE A 1 84 ? -4.302 -2.187 17.474 1.00 15.00 ? ? ? ? ? ? 84 ILE A H 1 -ATOM 780 N N . ILE A 1 85 ? -3.203 1.329 19.399 1.00 6.08 ? ? ? ? ? ? 85 ILE A N 1 -ATOM 781 C CA . ILE A 1 85 ? -3.549 2.761 19.382 1.00 3.83 ? ? ? ? ? ? 85 ILE A CA 1 -ATOM 782 C C . ILE A 1 85 ? -2.346 3.642 18.969 1.00 5.48 ? ? ? ? ? ? 85 ILE A C 1 -ATOM 783 O O . ILE A 1 85 ? -1.321 3.637 19.652 1.00 4.60 ? ? ? ? ? ? 85 ILE A O 1 -ATOM 784 C CB . ILE A 1 85 ? -4.078 3.263 20.743 1.00 3.28 ? ? ? ? ? ? 85 ILE A CB 1 -ATOM 785 C CG1 . ILE A 1 85 ? -4.993 2.265 21.468 1.00 4.75 ? ? ? ? ? ? 85 ILE A CG1 1 -ATOM 786 C CG2 . ILE A 1 85 ? -4.764 4.614 20.547 1.00 2.00 ? ? ? ? ? ? 85 ILE A CG2 1 -ATOM 787 C CD1 . ILE A 1 85 ? -6.373 2.028 20.837 1.00 10.37 ? ? ? ? ? ? 85 ILE A CD1 1 -ATOM 788 H H . ILE A 1 85 ? -2.591 0.942 20.095 1.00 15.00 ? ? ? ? ? ? 85 ILE A H 1 -ATOM 789 N N . GLY A 1 86 ? -2.519 4.356 17.827 1.00 3.63 ? ? ? ? ? ? 86 GLY A N 1 -ATOM 790 C CA . GLY A 1 86 ? -1.444 5.149 17.231 1.00 3.97 ? ? ? ? ? ? 86 GLY A CA 1 -ATOM 791 C C . GLY A 1 86 ? -1.513 6.620 17.583 1.00 6.02 ? ? ? ? ? ? 86 GLY A C 1 -ATOM 792 O O . GLY A 1 86 ? -2.415 7.044 18.307 1.00 11.53 ? ? ? ? ? ? 86 GLY A O 1 -ATOM 793 H H . GLY A 1 86 ? -3.436 4.323 17.425 1.00 15.00 ? ? ? ? ? ? 86 GLY A H 1 -ATOM 794 N N . ARG A 1 87 ? -0.582 7.434 17.053 1.00 4.10 ? ? ? ? ? ? 87 ARG A N 1 -ATOM 795 C CA . ARG A 1 87 ? -0.654 8.875 17.437 1.00 6.33 ? ? ? ? ? ? 87 ARG A CA 1 -ATOM 796 C C . ARG A 1 87 ? -1.987 9.709 17.268 1.00 6.34 ? ? ? ? ? ? 87 ARG A C 1 -ATOM 797 O O . ARG A 1 87 ? -2.248 10.670 17.993 1.00 9.00 ? ? ? ? ? ? 87 ARG A O 1 -ATOM 798 C CB . ARG A 1 87 ? 0.560 9.612 16.845 1.00 4.55 ? ? ? ? ? ? 87 ARG A CB 1 -ATOM 799 C CG . ARG A 1 87 ? 1.904 9.047 17.362 1.00 10.87 ? ? ? ? ? ? 87 ARG A CG 1 -ATOM 800 C CD . ARG A 1 87 ? 3.062 9.100 16.353 1.00 5.39 ? ? ? ? ? ? 87 ARG A CD 1 -ATOM 801 N NE . ARG A 1 87 ? 3.209 10.479 15.997 1.00 15.34 ? ? ? ? ? ? 87 ARG A NE 1 -ATOM 802 C CZ . ARG A 1 87 ? 2.792 10.872 14.795 1.00 18.04 ? ? ? ? ? ? 87 ARG A CZ 1 -ATOM 803 N NH1 . ARG A 1 87 ? 2.967 10.101 13.735 1.00 15.78 ? ? ? ? ? ? 87 ARG A NH1 1 -ATOM 804 N NH2 . ARG A 1 87 ? 2.170 12.049 14.692 1.00 19.63 ? ? ? ? ? ? 87 ARG A NH2 1 -ATOM 805 H H . ARG A 1 87 ? 0.196 7.014 16.588 1.00 15.00 ? ? ? ? ? ? 87 ARG A H 1 -ATOM 806 H HE . ARG A 1 87 ? 3.259 11.156 16.730 1.00 15.00 ? ? ? ? ? ? 87 ARG A HE 1 -ATOM 807 H HH11 . ARG A 1 87 ? 3.447 9.229 13.827 1.00 15.00 ? ? ? ? ? ? 87 ARG A HH11 1 -ATOM 808 H HH12 . ARG A 1 87 ? 2.619 10.390 12.845 1.00 15.00 ? ? ? ? ? ? 87 ARG A HH12 1 -ATOM 809 H HH21 . ARG A 1 87 ? 2.040 12.623 15.501 1.00 15.00 ? ? ? ? ? ? 87 ARG A HH21 1 -ATOM 810 H HH22 . ARG A 1 87 ? 1.829 12.357 13.805 1.00 15.00 ? ? ? ? ? ? 87 ARG A HH22 1 -ATOM 811 N N . ASN A 1 88 ? -2.846 9.320 16.284 1.00 4.71 ? ? ? ? ? ? 88 ASN A N 1 -ATOM 812 C CA . ASN A 1 88 ? -4.085 10.064 15.974 1.00 2.94 ? ? ? ? ? ? 88 ASN A CA 1 -ATOM 813 C C . ASN A 1 88 ? -5.100 10.221 17.134 1.00 8.33 ? ? ? ? ? ? 88 ASN A C 1 -ATOM 814 O O . ASN A 1 88 ? -5.814 11.204 17.328 1.00 10.61 ? ? ? ? ? ? 88 ASN A O 1 -ATOM 815 C CB . ASN A 1 88 ? -4.734 9.451 14.714 1.00 2.54 ? ? ? ? ? ? 88 ASN A CB 1 -ATOM 816 C CG . ASN A 1 88 ? -5.452 8.096 14.938 1.00 11.53 ? ? ? ? ? ? 88 ASN A CG 1 -ATOM 817 O OD1 . ASN A 1 88 ? -4.939 7.098 15.437 1.00 2.94 ? ? ? ? ? ? 88 ASN A OD1 1 -ATOM 818 N ND2 . ASN A 1 88 ? -6.728 8.083 14.558 1.00 12.71 ? ? ? ? ? ? 88 ASN A ND2 1 -ATOM 819 H H . ASN A 1 88 ? -2.520 8.580 15.694 1.00 15.00 ? ? ? ? ? ? 88 ASN A H 1 -ATOM 820 H HD21 . ASN A 1 88 ? -7.219 7.218 14.657 1.00 15.00 ? ? ? ? ? ? 88 ASN A HD21 1 -ATOM 821 H HD22 . ASN A 1 88 ? -7.217 8.883 14.213 1.00 15.00 ? ? ? ? ? ? 88 ASN A HD22 1 -ATOM 822 N N . LEU A 1 89 ? -5.100 9.142 17.928 1.00 9.42 ? ? ? ? ? ? 89 LEU A N 1 -ATOM 823 C CA . LEU A 1 89 ? -5.948 9.061 19.121 1.00 8.04 ? ? ? ? ? ? 89 LEU A CA 1 -ATOM 824 C C . LEU A 1 89 ? -5.240 9.372 20.426 1.00 5.83 ? ? ? ? ? ? 89 LEU A C 1 -ATOM 825 O O . LEU A 1 89 ? -5.720 10.079 21.282 1.00 11.22 ? ? ? ? ? ? 89 LEU A O 1 -ATOM 826 C CB . LEU A 1 89 ? -6.576 7.671 19.132 1.00 7.87 ? ? ? ? ? ? 89 LEU A CB 1 -ATOM 827 C CG . LEU A 1 89 ? -7.982 7.575 18.565 1.00 9.76 ? ? ? ? ? ? 89 LEU A CG 1 -ATOM 828 C CD1 . LEU A 1 89 ? -8.269 8.482 17.355 1.00 13.42 ? ? ? ? ? ? 89 LEU A CD1 1 -ATOM 829 C CD2 . LEU A 1 89 ? -8.334 6.110 18.331 1.00 14.63 ? ? ? ? ? ? 89 LEU A CD2 1 -ATOM 830 H H . LEU A 1 89 ? -4.531 8.374 17.626 1.00 15.00 ? ? ? ? ? ? 89 LEU A H 1 -ATOM 831 N N . LEU A 1 90 ? -4.014 8.888 20.545 1.00 8.10 ? ? ? ? ? ? 90 LEU A N 1 -ATOM 832 C CA . LEU A 1 90 ? -3.122 9.326 21.652 1.00 8.09 ? ? ? ? ? ? 90 LEU A CA 1 -ATOM 833 C C . LEU A 1 90 ? -2.996 10.851 21.908 1.00 8.64 ? ? ? ? ? ? 90 LEU A C 1 -ATOM 834 O O . LEU A 1 90 ? -2.902 11.395 23.005 1.00 9.47 ? ? ? ? ? ? 90 LEU A O 1 -ATOM 835 C CB . LEU A 1 90 ? -1.745 8.802 21.290 1.00 5.97 ? ? ? ? ? ? 90 LEU A CB 1 -ATOM 836 C CG . LEU A 1 90 ? -1.170 7.607 22.016 1.00 5.66 ? ? ? ? ? ? 90 LEU A CG 1 -ATOM 837 C CD1 . LEU A 1 90 ? -2.156 6.570 22.522 1.00 4.83 ? ? ? ? ? ? 90 LEU A CD1 1 -ATOM 838 C CD2 . LEU A 1 90 ? -0.167 6.990 21.060 1.00 7.12 ? ? ? ? ? ? 90 LEU A CD2 1 -ATOM 839 H H . LEU A 1 90 ? -3.704 8.240 19.846 1.00 15.00 ? ? ? ? ? ? 90 LEU A H 1 -ATOM 840 N N . THR A 1 91 ? -2.992 11.570 20.795 1.00 9.94 ? ? ? ? ? ? 91 THR A N 1 -ATOM 841 C CA . THR A 1 91 ? -3.029 13.029 20.978 1.00 8.71 ? ? ? ? ? ? 91 THR A CA 1 -ATOM 842 C C . THR A 1 91 ? -4.303 13.614 21.471 1.00 10.30 ? ? ? ? ? ? 91 THR A C 1 -ATOM 843 O O . THR A 1 91 ? -4.259 14.519 22.284 1.00 12.69 ? ? ? ? ? ? 91 THR A O 1 -ATOM 844 C CB . THR A 1 91 ? -2.729 13.810 19.729 1.00 10.12 ? ? ? ? ? ? 91 THR A CB 1 -ATOM 845 O OG1 . THR A 1 91 ? -3.546 13.334 18.654 1.00 9.03 ? ? ? ? ? ? 91 THR A OG1 1 -ATOM 846 C CG2 . THR A 1 91 ? -1.237 13.795 19.403 1.00 9.48 ? ? ? ? ? ? 91 THR A CG2 1 -ATOM 847 H H . THR A 1 91 ? -2.949 11.127 19.899 1.00 15.00 ? ? ? ? ? ? 91 THR A H 1 -ATOM 848 H HG1 . THR A 1 91 ? -3.051 12.631 18.233 1.00 15.00 ? ? ? ? ? ? 91 THR A HG1 1 -ATOM 849 N N . GLN A 1 92 ? -5.435 13.036 21.015 1.00 9.54 ? ? ? ? ? ? 92 GLN A N 1 -ATOM 850 C CA . GLN A 1 92 ? -6.739 13.425 21.614 1.00 8.56 ? ? ? ? ? ? 92 GLN A CA 1 -ATOM 851 C C . GLN A 1 92 ? -6.888 13.403 23.158 1.00 10.13 ? ? ? ? ? ? 92 GLN A C 1 -ATOM 852 O O . GLN A 1 92 ? -7.313 14.362 23.797 1.00 10.19 ? ? ? ? ? ? 92 GLN A O 1 -ATOM 853 C CB . GLN A 1 92 ? -7.901 12.683 20.934 1.00 7.14 ? ? ? ? ? ? 92 GLN A CB 1 -ATOM 854 C CG . GLN A 1 92 ? -8.079 13.162 19.471 1.00 4.88 ? ? ? ? ? ? 92 GLN A CG 1 -ATOM 855 C CD . GLN A 1 92 ? -9.409 12.689 18.959 1.00 4.56 ? ? ? ? ? ? 92 GLN A CD 1 -ATOM 856 O OE1 . GLN A 1 92 ? -10.324 12.409 19.699 1.00 14.03 ? ? ? ? ? ? 92 GLN A OE1 1 -ATOM 857 N NE2 . GLN A 1 92 ? -9.555 12.577 17.672 1.00 2.00 ? ? ? ? ? ? 92 GLN A NE2 1 -ATOM 858 H H . GLN A 1 92 ? -5.340 12.385 20.263 1.00 15.00 ? ? ? ? ? ? 92 GLN A H 1 -ATOM 859 H HE21 . GLN A 1 92 ? -10.464 12.281 17.383 1.00 15.00 ? ? ? ? ? ? 92 GLN A HE21 1 -ATOM 860 H HE22 . GLN A 1 92 ? -8.804 12.777 17.055 1.00 15.00 ? ? ? ? ? ? 92 GLN A HE22 1 -ATOM 861 N N . ILE A 1 93 ? -6.453 12.267 23.731 1.00 7.25 ? ? ? ? ? ? 93 ILE A N 1 -ATOM 862 C CA . ILE A 1 93 ? -6.483 12.101 25.195 1.00 7.07 ? ? ? ? ? ? 93 ILE A CA 1 -ATOM 863 C C . ILE A 1 93 ? -5.335 12.732 26.048 1.00 11.45 ? ? ? ? ? ? 93 ILE A C 1 -ATOM 864 O O . ILE A 1 93 ? -5.207 12.556 27.257 1.00 11.98 ? ? ? ? ? ? 93 ILE A O 1 -ATOM 865 C CB . ILE A 1 93 ? -6.643 10.599 25.548 1.00 8.30 ? ? ? ? ? ? 93 ILE A CB 1 -ATOM 866 C CG1 . ILE A 1 93 ? -5.341 9.820 25.286 1.00 5.63 ? ? ? ? ? ? 93 ILE A CG1 1 -ATOM 867 C CG2 . ILE A 1 93 ? -7.849 9.970 24.810 1.00 6.86 ? ? ? ? ? ? 93 ILE A CG2 1 -ATOM 868 C CD1 . ILE A 1 93 ? -5.437 8.344 25.642 1.00 6.01 ? ? ? ? ? ? 93 ILE A CD1 1 -ATOM 869 H H . ILE A 1 93 ? -6.167 11.548 23.098 1.00 15.00 ? ? ? ? ? ? 93 ILE A H 1 -ATOM 870 N N . GLY A 1 94 ? -4.464 13.486 25.366 1.00 10.82 ? ? ? ? ? ? 94 GLY A N 1 -ATOM 871 C CA . GLY A 1 94 ? -3.410 14.097 26.190 1.00 12.12 ? ? ? ? ? ? 94 GLY A CA 1 -ATOM 872 C C . GLY A 1 94 ? -2.050 13.371 26.432 1.00 15.12 ? ? ? ? ? ? 94 GLY A C 1 -ATOM 873 O O . GLY A 1 94 ? -1.236 13.833 27.223 1.00 17.26 ? ? ? ? ? ? 94 GLY A O 1 -ATOM 874 H H . GLY A 1 94 ? -4.588 13.678 24.392 1.00 15.00 ? ? ? ? ? ? 94 GLY A H 1 -ATOM 875 N N . CYS A 1 95 ? -1.790 12.267 25.687 1.00 14.55 ? ? ? ? ? ? 95 CYS A N 1 -ATOM 876 C CA . CYS A 1 95 ? -0.471 11.597 25.822 1.00 10.81 ? ? ? ? ? ? 95 CYS A CA 1 -ATOM 877 C C . CYS A 1 95 ? 0.838 12.258 25.319 1.00 11.73 ? ? ? ? ? ? 95 CYS A C 1 -ATOM 878 O O . CYS A 1 95 ? 0.949 12.839 24.228 1.00 13.70 ? ? ? ? ? ? 95 CYS A O 1 -ATOM 879 C CB . CYS A 1 95 ? -0.614 10.216 25.243 1.00 12.07 ? ? ? ? ? ? 95 CYS A CB 1 -ATOM 880 S SG . CYS A 1 95 ? 0.307 8.920 26.088 1.00 18.07 ? ? ? ? ? ? 95 CYS A SG 1 -ATOM 881 H H . CYS A 1 95 ? -2.463 12.031 24.988 1.00 15.00 ? ? ? ? ? ? 95 CYS A H 1 -ATOM 882 N N . THR A 1 96 ? 1.843 12.131 26.211 1.00 9.92 ? ? ? ? ? ? 96 THR A N 1 -ATOM 883 C CA . THR A 1 96 ? 3.255 12.544 26.016 1.00 6.70 ? ? ? ? ? ? 96 THR A CA 1 -ATOM 884 C C . THR A 1 96 ? 4.358 11.495 26.430 1.00 11.47 ? ? ? ? ? ? 96 THR A C 1 -ATOM 885 O O . THR A 1 96 ? 4.175 10.661 27.303 1.00 11.99 ? ? ? ? ? ? 96 THR A O 1 -ATOM 886 C CB . THR A 1 96 ? 3.572 13.884 26.732 1.00 3.18 ? ? ? ? ? ? 96 THR A CB 1 -ATOM 887 O OG1 . THR A 1 96 ? 3.422 13.782 28.136 1.00 2.00 ? ? ? ? ? ? 96 THR A OG1 1 -ATOM 888 C CG2 . THR A 1 96 ? 2.735 15.054 26.263 1.00 2.00 ? ? ? ? ? ? 96 THR A CG2 1 -ATOM 889 H H . THR A 1 96 ? 1.543 11.752 27.094 1.00 15.00 ? ? ? ? ? ? 96 THR A H 1 -ATOM 890 H HG1 . THR A 1 96 ? 3.325 14.669 28.470 1.00 15.00 ? ? ? ? ? ? 96 THR A HG1 1 -ATOM 891 N N . LEU A 1 97 ? 5.544 11.562 25.769 1.00 13.36 ? ? ? ? ? ? 97 LEU A N 1 -ATOM 892 C CA . LEU A 1 97 ? 6.781 10.866 26.209 1.00 11.73 ? ? ? ? ? ? 97 LEU A CA 1 -ATOM 893 C C . LEU A 1 97 ? 7.766 11.692 27.122 1.00 12.03 ? ? ? ? ? ? 97 LEU A C 1 -ATOM 894 O O . LEU A 1 97 ? 8.091 12.842 26.868 1.00 13.10 ? ? ? ? ? ? 97 LEU A O 1 -ATOM 895 C CB . LEU A 1 97 ? 7.510 10.366 24.941 1.00 12.45 ? ? ? ? ? ? 97 LEU A CB 1 -ATOM 896 C CG . LEU A 1 97 ? 7.614 8.852 24.580 1.00 12.27 ? ? ? ? ? ? 97 LEU A CG 1 -ATOM 897 C CD1 . LEU A 1 97 ? 6.313 8.199 24.173 1.00 13.18 ? ? ? ? ? ? 97 LEU A CD1 1 -ATOM 898 C CD2 . LEU A 1 97 ? 8.468 8.621 23.357 1.00 9.86 ? ? ? ? ? ? 97 LEU A CD2 1 -ATOM 899 H H . LEU A 1 97 ? 5.576 12.235 25.027 1.00 15.00 ? ? ? ? ? ? 97 LEU A H 1 -ATOM 900 N N . ASN A 1 98 ? 8.241 11.095 28.216 1.00 12.12 ? ? ? ? ? ? 98 ASN A N 1 -ATOM 901 C CA . ASN A 1 98 ? 9.072 11.924 29.137 1.00 14.38 ? ? ? ? ? ? 98 ASN A CA 1 -ATOM 902 C C . ASN A 1 98 ? 10.351 11.322 29.763 1.00 14.68 ? ? ? ? ? ? 98 ASN A C 1 -ATOM 903 O O . ASN A 1 98 ? 10.298 10.201 30.258 1.00 16.20 ? ? ? ? ? ? 98 ASN A O 1 -ATOM 904 C CB . ASN A 1 98 ? 8.278 12.403 30.337 1.00 15.85 ? ? ? ? ? ? 98 ASN A CB 1 -ATOM 905 C CG . ASN A 1 98 ? 7.192 13.386 29.979 1.00 18.15 ? ? ? ? ? ? 98 ASN A CG 1 -ATOM 906 O OD1 . ASN A 1 98 ? 7.427 14.537 29.659 1.00 17.39 ? ? ? ? ? ? 98 ASN A OD1 1 -ATOM 907 N ND2 . ASN A 1 98 ? 5.958 12.904 30.073 1.00 16.74 ? ? ? ? ? ? 98 ASN A ND2 1 -ATOM 908 H H . ASN A 1 98 ? 7.900 10.180 28.444 1.00 15.00 ? ? ? ? ? ? 98 ASN A H 1 -ATOM 909 H HD21 . ASN A 1 98 ? 5.269 13.561 29.783 1.00 15.00 ? ? ? ? ? ? 98 ASN A HD21 1 -ATOM 910 H HD22 . ASN A 1 98 ? 5.737 11.995 30.424 1.00 15.00 ? ? ? ? ? ? 98 ASN A HD22 1 -ATOM 911 N N . PHE A 1 99 ? 11.434 12.148 29.720 1.00 17.67 ? ? ? ? ? ? 99 PHE A N 1 -ATOM 912 C CA . PHE A 1 99 ? 12.828 12.065 30.252 1.00 12.46 ? ? ? ? ? ? 99 PHE A CA 1 -ATOM 913 C C . PHE A 1 99 ? 13.520 13.457 30.096 1.00 7.09 ? ? ? ? ? ? 99 PHE A C 1 -ATOM 914 O O . PHE A 1 99 ? 14.655 13.569 29.636 0.00 8.50 ? ? ? ? ? ? 99 PHE A O 1 -ATOM 915 C CB . PHE A 1 99 ? 13.592 10.871 29.623 1.00 7.80 ? ? ? ? ? ? 99 PHE A CB 1 -ATOM 916 C CG . PHE A 1 99 ? 13.829 11.100 28.161 1.00 5.94 ? ? ? ? ? ? 99 PHE A CG 1 -ATOM 917 C CD1 . PHE A 1 99 ? 12.760 11.001 27.249 1.00 12.70 ? ? ? ? ? ? 99 PHE A CD1 1 -ATOM 918 C CD2 . PHE A 1 99 ? 15.119 11.457 27.715 1.00 10.34 ? ? ? ? ? ? 99 PHE A CD2 1 -ATOM 919 C CE1 . PHE A 1 99 ? 12.961 11.344 25.896 1.00 13.79 ? ? ? ? ? ? 99 PHE A CE1 1 -ATOM 920 C CE2 . PHE A 1 99 ? 15.334 11.813 26.366 1.00 13.69 ? ? ? ? ? ? 99 PHE A CE2 1 -ATOM 921 C CZ . PHE A 1 99 ? 14.238 11.793 25.477 1.00 16.36 ? ? ? ? ? ? 99 PHE A CZ 1 -ATOM 922 O OXT . PHE A 1 99 ? 12.893 14.487 30.349 0.00 8.50 ? ? ? ? ? ? 99 PHE A OXT 1 -ATOM 923 H H . PHE A 1 99 ? 11.228 13.069 29.393 1.00 15.00 ? ? ? ? ? ? 99 PHE A H 1 -ATOM 924 N N . PRO B 1 1 ? 13.587 15.375 28.006 1.00 37.18 ? ? ? ? ? ? 1 PRO B N 1 -ATOM 925 C CA . PRO B 1 1 ? 12.429 15.782 27.190 1.00 32.66 ? ? ? ? ? ? 1 PRO B CA 1 -ATOM 926 C C . PRO B 1 1 ? 11.058 15.893 27.827 1.00 30.70 ? ? ? ? ? ? 1 PRO B C 1 -ATOM 927 O O . PRO B 1 1 ? 10.652 14.934 28.450 1.00 33.19 ? ? ? ? ? ? 1 PRO B O 1 -ATOM 928 C CB . PRO B 1 1 ? 12.884 16.920 26.297 1.00 32.98 ? ? ? ? ? ? 1 PRO B CB 1 -ATOM 929 C CG . PRO B 1 1 ? 14.194 16.250 25.886 1.00 37.01 ? ? ? ? ? ? 1 PRO B CG 1 -ATOM 930 C CD . PRO B 1 1 ? 14.771 15.729 27.210 1.00 37.71 ? ? ? ? ? ? 1 PRO B CD 1 -ATOM 931 H H2 . PRO B 1 1 ? 13.592 15.705 29.002 0.00 0.00 ? ? ? ? ? ? 1 PRO B H2 1 -ATOM 932 H H3 . PRO B 1 1 ? 13.613 14.354 28.265 0.00 0.00 ? ? ? ? ? ? 1 PRO B H3 1 -ATOM 933 N N . GLN B 1 2 ? 10.289 16.963 27.520 1.00 25.28 ? ? ? ? ? ? 2 GLN B N 1 -ATOM 934 C CA . GLN B 1 2 ? 8.951 16.454 27.183 1.00 22.03 ? ? ? ? ? ? 2 GLN B CA 1 -ATOM 935 C C . GLN B 1 2 ? 8.735 16.286 25.690 1.00 18.15 ? ? ? ? ? ? 2 GLN B C 1 -ATOM 936 O O . GLN B 1 2 ? 9.066 17.182 24.944 1.00 19.19 ? ? ? ? ? ? 2 GLN B O 1 -ATOM 937 C CB . GLN B 1 2 ? 7.858 17.317 27.754 1.00 24.59 ? ? ? ? ? ? 2 GLN B CB 1 -ATOM 938 C CG . GLN B 1 2 ? 6.487 16.636 27.780 1.00 21.41 ? ? ? ? ? ? 2 GLN B CG 1 -ATOM 939 C CD . GLN B 1 2 ? 5.550 17.497 28.592 1.00 23.66 ? ? ? ? ? ? 2 GLN B CD 1 -ATOM 940 O OE1 . GLN B 1 2 ? 5.147 17.232 29.715 1.00 17.87 ? ? ? ? ? ? 2 GLN B OE1 1 -ATOM 941 N NE2 . GLN B 1 2 ? 5.195 18.607 27.947 1.00 25.77 ? ? ? ? ? ? 2 GLN B NE2 1 -ATOM 942 H H . GLN B 1 2 ? 10.602 17.852 27.198 1.00 15.00 ? ? ? ? ? ? 2 GLN B H 1 -ATOM 943 H HE21 . GLN B 1 2 ? 4.611 19.180 28.515 1.00 15.00 ? ? ? ? ? ? 2 GLN B HE21 1 -ATOM 944 H HE22 . GLN B 1 2 ? 5.499 18.821 27.027 1.00 15.00 ? ? ? ? ? ? 2 GLN B HE22 1 -ATOM 945 N N . ILE B 1 3 ? 8.226 15.125 25.284 1.00 14.61 ? ? ? ? ? ? 3 ILE B N 1 -ATOM 946 C CA . ILE B 1 3 ? 8.003 14.894 23.853 1.00 14.42 ? ? ? ? ? ? 3 ILE B CA 1 -ATOM 947 C C . ILE B 1 3 ? 6.521 14.704 23.440 1.00 14.49 ? ? ? ? ? ? 3 ILE B C 1 -ATOM 948 O O . ILE B 1 3 ? 5.843 13.739 23.782 1.00 11.98 ? ? ? ? ? ? 3 ILE B O 1 -ATOM 949 C CB . ILE B 1 3 ? 8.908 13.730 23.358 1.00 15.82 ? ? ? ? ? ? 3 ILE B CB 1 -ATOM 950 C CG1 . ILE B 1 3 ? 10.386 13.948 23.707 1.00 17.70 ? ? ? ? ? ? 3 ILE B CG1 1 -ATOM 951 C CG2 . ILE B 1 3 ? 8.805 13.509 21.839 1.00 13.84 ? ? ? ? ? ? 3 ILE B CG2 1 -ATOM 952 C CD1 . ILE B 1 3 ? 11.258 12.860 23.102 1.00 16.91 ? ? ? ? ? ? 3 ILE B CD1 1 -ATOM 953 H H . ILE B 1 3 ? 8.033 14.449 25.996 1.00 15.00 ? ? ? ? ? ? 3 ILE B H 1 -ATOM 954 N N . THR B 1 4 ? 6.007 15.694 22.684 1.00 13.06 ? ? ? ? ? ? 4 THR B N 1 -ATOM 955 C CA . THR B 1 4 ? 4.637 15.475 22.179 1.00 11.34 ? ? ? ? ? ? 4 THR B CA 1 -ATOM 956 C C . THR B 1 4 ? 4.485 14.733 20.868 1.00 14.26 ? ? ? ? ? ? 4 THR B C 1 -ATOM 957 O O . THR B 1 4 ? 5.391 14.603 20.050 1.00 17.92 ? ? ? ? ? ? 4 THR B O 1 -ATOM 958 C CB . THR B 1 4 ? 3.842 16.757 21.981 1.00 12.43 ? ? ? ? ? ? 4 THR B CB 1 -ATOM 959 O OG1 . THR B 1 4 ? 4.477 17.558 20.973 1.00 16.86 ? ? ? ? ? ? 4 THR B OG1 1 -ATOM 960 C CG2 . THR B 1 4 ? 3.616 17.532 23.278 1.00 9.78 ? ? ? ? ? ? 4 THR B CG2 1 -ATOM 961 H H . THR B 1 4 ? 6.612 16.409 22.331 1.00 15.00 ? ? ? ? ? ? 4 THR B H 1 -ATOM 962 H HG1 . THR B 1 4 ? 4.039 18.402 20.956 1.00 15.00 ? ? ? ? ? ? 4 THR B HG1 1 -ATOM 963 N N . LEU B 1 5 ? 3.243 14.257 20.693 1.00 12.93 ? ? ? ? ? ? 5 LEU B N 1 -ATOM 964 C CA . LEU B 1 5 ? 2.994 13.361 19.550 1.00 10.05 ? ? ? ? ? ? 5 LEU B CA 1 -ATOM 965 C C . LEU B 1 5 ? 2.303 13.904 18.292 1.00 10.74 ? ? ? ? ? ? 5 LEU B C 1 -ATOM 966 O O . LEU B 1 5 ? 1.831 13.156 17.450 1.00 13.05 ? ? ? ? ? ? 5 LEU B O 1 -ATOM 967 C CB . LEU B 1 5 ? 2.233 12.124 20.046 1.00 12.05 ? ? ? ? ? ? 5 LEU B CB 1 -ATOM 968 C CG . LEU B 1 5 ? 2.952 11.008 20.841 1.00 12.23 ? ? ? ? ? ? 5 LEU B CG 1 -ATOM 969 C CD1 . LEU B 1 5 ? 4.489 11.031 20.848 1.00 11.19 ? ? ? ? ? ? 5 LEU B CD1 1 -ATOM 970 C CD2 . LEU B 1 5 ? 2.307 10.783 22.180 1.00 2.39 ? ? ? ? ? ? 5 LEU B CD2 1 -ATOM 971 H H . LEU B 1 5 ? 2.596 14.322 21.450 1.00 15.00 ? ? ? ? ? ? 5 LEU B H 1 -ATOM 972 N N . TRP B 1 6 ? 2.245 15.249 18.159 1.00 10.83 ? ? ? ? ? ? 6 TRP B N 1 -ATOM 973 C CA . TRP B 1 6 ? 1.758 15.805 16.880 1.00 8.95 ? ? ? ? ? ? 6 TRP B CA 1 -ATOM 974 C C . TRP B 1 6 ? 2.538 15.367 15.646 1.00 11.86 ? ? ? ? ? ? 6 TRP B C 1 -ATOM 975 O O . TRP B 1 6 ? 2.017 15.148 14.562 1.00 13.20 ? ? ? ? ? ? 6 TRP B O 1 -ATOM 976 C CB . TRP B 1 6 ? 1.831 17.332 16.775 1.00 9.49 ? ? ? ? ? ? 6 TRP B CB 1 -ATOM 977 C CG . TRP B 1 6 ? 1.039 18.078 17.808 1.00 7.19 ? ? ? ? ? ? 6 TRP B CG 1 -ATOM 978 C CD1 . TRP B 1 6 ? 1.619 18.811 18.841 1.00 9.16 ? ? ? ? ? ? 6 TRP B CD1 1 -ATOM 979 C CD2 . TRP B 1 6 ? -0.391 18.196 18.006 1.00 14.14 ? ? ? ? ? ? 6 TRP B CD2 1 -ATOM 980 N NE1 . TRP B 1 6 ? 0.692 19.339 19.659 1.00 7.62 ? ? ? ? ? ? 6 TRP B NE1 1 -ATOM 981 C CE2 . TRP B 1 6 ? -0.576 18.983 19.193 1.00 13.41 ? ? ? ? ? ? 6 TRP B CE2 1 -ATOM 982 C CE3 . TRP B 1 6 ? -1.528 17.737 17.295 1.00 16.58 ? ? ? ? ? ? 6 TRP B CE3 1 -ATOM 983 C CZ2 . TRP B 1 6 ? -1.887 19.274 19.659 1.00 10.89 ? ? ? ? ? ? 6 TRP B CZ2 1 -ATOM 984 C CZ3 . TRP B 1 6 ? -2.827 18.052 17.761 1.00 19.55 ? ? ? ? ? ? 6 TRP B CZ3 1 -ATOM 985 C CH2 . TRP B 1 6 ? -3.008 18.805 18.945 1.00 12.82 ? ? ? ? ? ? 6 TRP B CH2 1 -ATOM 986 H H . TRP B 1 6 ? 2.645 15.799 18.887 1.00 15.00 ? ? ? ? ? ? 6 TRP B H 1 -ATOM 987 H HE1 . TRP B 1 6 ? 0.877 19.912 20.438 1.00 15.00 ? ? ? ? ? ? 6 TRP B HE1 1 -ATOM 988 N N . LYS B 1 7 ? 3.857 15.254 15.865 1.00 15.08 ? ? ? ? ? ? 7 LYS B N 1 -ATOM 989 C CA . LYS B 1 7 ? 4.567 14.402 14.905 1.00 14.05 ? ? ? ? ? ? 7 LYS B CA 1 -ATOM 990 C C . LYS B 1 7 ? 5.265 13.130 15.437 1.00 10.87 ? ? ? ? ? ? 7 LYS B C 1 -ATOM 991 O O . LYS B 1 7 ? 5.190 12.773 16.605 1.00 8.04 ? ? ? ? ? ? 7 LYS B O 1 -ATOM 992 C CB . LYS B 1 7 ? 5.382 15.210 13.864 1.00 12.97 ? ? ? ? ? ? 7 LYS B CB 1 -ATOM 993 C CG . LYS B 1 7 ? 5.922 16.586 14.221 1.00 18.22 ? ? ? ? ? ? 7 LYS B CG 1 -ATOM 994 C CD . LYS B 1 7 ? 7.141 16.570 15.157 1.00 29.42 ? ? ? ? ? ? 7 LYS B CD 1 -ATOM 995 C CE . LYS B 1 7 ? 7.808 17.956 15.399 1.00 36.49 ? ? ? ? ? ? 7 LYS B CE 1 -ATOM 996 N NZ . LYS B 1 7 ? 8.467 18.487 14.174 1.00 41.16 ? ? ? ? ? ? 7 LYS B NZ 1 -ATOM 997 H H . LYS B 1 7 ? 4.258 15.573 16.719 1.00 15.00 ? ? ? ? ? ? 7 LYS B H 1 -ATOM 998 H HZ1 . LYS B 1 7 ? 9.010 17.725 13.719 1.00 15.00 ? ? ? ? ? ? 7 LYS B HZ1 1 -ATOM 999 H HZ2 . LYS B 1 7 ? 7.743 18.839 13.515 1.00 15.00 ? ? ? ? ? ? 7 LYS B HZ2 1 -ATOM 1000 H HZ3 . LYS B 1 7 ? 9.106 19.267 14.430 1.00 15.00 ? ? ? ? ? ? 7 LYS B HZ3 1 -ATOM 1001 N N . ARG B 1 8 ? 5.941 12.438 14.502 1.00 7.83 ? ? ? ? ? ? 8 ARG B N 1 -ATOM 1002 C CA . ARG B 1 8 ? 6.757 11.289 14.910 1.00 6.01 ? ? ? ? ? ? 8 ARG B CA 1 -ATOM 1003 C C . ARG B 1 8 ? 7.864 11.650 15.893 1.00 5.22 ? ? ? ? ? ? 8 ARG B C 1 -ATOM 1004 O O . ARG B 1 8 ? 8.538 12.670 15.755 1.00 2.00 ? ? ? ? ? ? 8 ARG B O 1 -ATOM 1005 C CB . ARG B 1 8 ? 7.392 10.626 13.672 1.00 8.34 ? ? ? ? ? ? 8 ARG B CB 1 -ATOM 1006 C CG . ARG B 1 8 ? 6.440 9.877 12.721 1.00 7.25 ? ? ? ? ? ? 8 ARG B CG 1 -ATOM 1007 C CD . ARG B 1 8 ? 7.149 9.217 11.559 1.00 4.59 ? ? ? ? ? ? 8 ARG B CD 1 -ATOM 1008 N NE . ARG B 1 8 ? 6.209 8.432 10.750 1.00 14.38 ? ? ? ? ? ? 8 ARG B NE 1 -ATOM 1009 C CZ . ARG B 1 8 ? 6.611 7.669 9.688 1.00 15.55 ? ? ? ? ? ? 8 ARG B CZ 1 -ATOM 1010 N NH1 . ARG B 1 8 ? 7.894 7.559 9.332 1.00 16.70 ? ? ? ? ? ? 8 ARG B NH1 1 -ATOM 1011 N NH2 . ARG B 1 8 ? 5.699 7.025 8.965 1.00 18.53 ? ? ? ? ? ? 8 ARG B NH2 1 -ATOM 1012 H H . ARG B 1 8 ? 5.902 12.755 13.558 1.00 15.00 ? ? ? ? ? ? 8 ARG B H 1 -ATOM 1013 H HE . ARG B 1 8 ? 5.228 8.480 10.936 1.00 15.00 ? ? ? ? ? ? 8 ARG B HE 1 -ATOM 1014 H HH11 . ARG B 1 8 ? 8.599 8.035 9.858 1.00 15.00 ? ? ? ? ? ? 8 ARG B HH11 1 -ATOM 1015 H HH12 . ARG B 1 8 ? 8.151 7.003 8.542 1.00 15.00 ? ? ? ? ? ? 8 ARG B HH12 1 -ATOM 1016 H HH21 . ARG B 1 8 ? 4.729 7.091 9.197 1.00 15.00 ? ? ? ? ? ? 8 ARG B HH21 1 -ATOM 1017 H HH22 . ARG B 1 8 ? 5.993 6.478 8.181 1.00 15.00 ? ? ? ? ? ? 8 ARG B HH22 1 -ATOM 1018 N N . PRO B 1 9 ? 8.052 10.777 16.909 1.00 7.39 ? ? ? ? ? ? 9 PRO B N 1 -ATOM 1019 C CA . PRO B 1 9 ? 9.075 11.107 17.923 1.00 8.37 ? ? ? ? ? ? 9 PRO B CA 1 -ATOM 1020 C C . PRO B 1 9 ? 10.507 10.656 17.556 1.00 5.80 ? ? ? ? ? ? 9 PRO B C 1 -ATOM 1021 O O . PRO B 1 9 ? 11.032 9.686 18.101 1.00 5.48 ? ? ? ? ? ? 9 PRO B O 1 -ATOM 1022 C CB . PRO B 1 9 ? 8.443 10.425 19.155 1.00 6.26 ? ? ? ? ? ? 9 PRO B CB 1 -ATOM 1023 C CG . PRO B 1 9 ? 7.757 9.168 18.601 1.00 3.24 ? ? ? ? ? ? 9 PRO B CG 1 -ATOM 1024 C CD . PRO B 1 9 ? 7.280 9.572 17.223 1.00 5.14 ? ? ? ? ? ? 9 PRO B CD 1 -ATOM 1025 N N . LEU B 1 10 ? 11.099 11.404 16.586 1.00 6.45 ? ? ? ? ? ? 10 LEU B N 1 -ATOM 1026 C CA . LEU B 1 10 ? 12.530 11.236 16.151 1.00 10.46 ? ? ? ? ? ? 10 LEU B CA 1 -ATOM 1027 C C . LEU B 1 10 ? 13.651 11.856 17.014 1.00 10.72 ? ? ? ? ? ? 10 LEU B C 1 -ATOM 1028 O O . LEU B 1 10 ? 13.723 13.054 17.210 1.00 11.17 ? ? ? ? ? ? 10 LEU B O 1 -ATOM 1029 C CB . LEU B 1 10 ? 12.878 11.732 14.743 1.00 7.46 ? ? ? ? ? ? 10 LEU B CB 1 -ATOM 1030 C CG . LEU B 1 10 ? 12.299 10.972 13.559 1.00 16.13 ? ? ? ? ? ? 10 LEU B CG 1 -ATOM 1031 C CD1 . LEU B 1 10 ? 12.546 9.461 13.564 1.00 18.86 ? ? ? ? ? ? 10 LEU B CD1 1 -ATOM 1032 C CD2 . LEU B 1 10 ? 10.829 11.269 13.370 1.00 23.21 ? ? ? ? ? ? 10 LEU B CD2 1 -ATOM 1033 H H . LEU B 1 10 ? 10.550 12.178 16.265 1.00 15.00 ? ? ? ? ? ? 10 LEU B H 1 -ATOM 1034 N N . VAL B 1 11 ? 14.543 11.008 17.521 1.00 12.29 ? ? ? ? ? ? 11 VAL B N 1 -ATOM 1035 C CA . VAL B 1 11 ? 15.734 11.566 18.162 1.00 12.15 ? ? ? ? ? ? 11 VAL B CA 1 -ATOM 1036 C C . VAL B 1 11 ? 17.039 11.269 17.422 1.00 14.43 ? ? ? ? ? ? 11 VAL B C 1 -ATOM 1037 O O . VAL B 1 11 ? 17.126 10.470 16.493 1.00 10.98 ? ? ? ? ? ? 11 VAL B O 1 -ATOM 1038 C CB . VAL B 1 11 ? 15.825 11.155 19.642 1.00 14.58 ? ? ? ? ? ? 11 VAL B CB 1 -ATOM 1039 C CG1 . VAL B 1 11 ? 14.809 11.938 20.469 1.00 18.20 ? ? ? ? ? ? 11 VAL B CG1 1 -ATOM 1040 C CG2 . VAL B 1 11 ? 15.703 9.641 19.871 1.00 11.13 ? ? ? ? ? ? 11 VAL B CG2 1 -ATOM 1041 H H . VAL B 1 11 ? 14.370 10.032 17.437 1.00 15.00 ? ? ? ? ? ? 11 VAL B H 1 -ATOM 1042 N N . THR B 1 12 ? 18.082 11.970 17.903 1.00 17.32 ? ? ? ? ? ? 12 THR B N 1 -ATOM 1043 C CA . THR B 1 12 ? 19.472 11.559 17.587 1.00 16.89 ? ? ? ? ? ? 12 THR B CA 1 -ATOM 1044 C C . THR B 1 12 ? 20.117 10.551 18.529 1.00 15.64 ? ? ? ? ? ? 12 THR B C 1 -ATOM 1045 O O . THR B 1 12 ? 20.067 10.620 19.752 1.00 17.75 ? ? ? ? ? ? 12 THR B O 1 -ATOM 1046 C CB . THR B 1 12 ? 20.414 12.758 17.462 1.00 18.04 ? ? ? ? ? ? 12 THR B CB 1 -ATOM 1047 O OG1 . THR B 1 12 ? 20.038 13.533 16.308 1.00 21.81 ? ? ? ? ? ? 12 THR B OG1 1 -ATOM 1048 C CG2 . THR B 1 12 ? 21.917 12.400 17.404 1.00 18.90 ? ? ? ? ? ? 12 THR B CG2 1 -ATOM 1049 H H . THR B 1 12 ? 17.865 12.659 18.592 1.00 15.00 ? ? ? ? ? ? 12 THR B H 1 -ATOM 1050 H HG1 . THR B 1 12 ? 19.091 13.514 16.241 1.00 15.00 ? ? ? ? ? ? 12 THR B HG1 1 -ATOM 1051 N N . ILE B 1 13 ? 20.736 9.600 17.861 1.00 15.87 ? ? ? ? ? ? 13 ILE B N 1 -ATOM 1052 C CA . ILE B 1 13 ? 21.551 8.582 18.500 1.00 18.13 ? ? ? ? ? ? 13 ILE B CA 1 -ATOM 1053 C C . ILE B 1 13 ? 22.966 8.447 17.862 1.00 20.14 ? ? ? ? ? ? 13 ILE B C 1 -ATOM 1054 O O . ILE B 1 13 ? 23.155 8.590 16.653 1.00 22.93 ? ? ? ? ? ? 13 ILE B O 1 -ATOM 1055 C CB . ILE B 1 13 ? 20.781 7.241 18.489 1.00 16.33 ? ? ? ? ? ? 13 ILE B CB 1 -ATOM 1056 C CG1 . ILE B 1 13 ? 20.778 6.658 17.067 1.00 14.28 ? ? ? ? ? ? 13 ILE B CG1 1 -ATOM 1057 C CG2 . ILE B 1 13 ? 19.348 7.415 19.043 1.00 7.89 ? ? ? ? ? ? 13 ILE B CG2 1 -ATOM 1058 C CD1 . ILE B 1 13 ? 20.940 5.139 17.014 1.00 14.30 ? ? ? ? ? ? 13 ILE B CD1 1 -ATOM 1059 H H . ILE B 1 13 ? 20.664 9.631 16.862 1.00 15.00 ? ? ? ? ? ? 13 ILE B H 1 -ATOM 1060 N N . ARG B 1 14 ? 23.937 8.152 18.748 1.00 18.38 ? ? ? ? ? ? 14 ARG B N 1 -ATOM 1061 C CA . ARG B 1 14 ? 25.293 7.749 18.339 1.00 18.22 ? ? ? ? ? ? 14 ARG B CA 1 -ATOM 1062 C C . ARG B 1 14 ? 25.746 6.328 18.747 1.00 19.03 ? ? ? ? ? ? 14 ARG B C 1 -ATOM 1063 O O . ARG B 1 14 ? 25.735 5.918 19.912 1.00 17.41 ? ? ? ? ? ? 14 ARG B O 1 -ATOM 1064 C CB . ARG B 1 14 ? 26.312 8.748 18.855 1.00 20.63 ? ? ? ? ? ? 14 ARG B CB 1 -ATOM 1065 C CG . ARG B 1 14 ? 25.921 10.196 18.572 1.00 19.56 ? ? ? ? ? ? 14 ARG B CG 1 -ATOM 1066 C CD . ARG B 1 14 ? 26.878 11.184 19.231 1.00 17.96 ? ? ? ? ? ? 14 ARG B CD 1 -ATOM 1067 N NE . ARG B 1 14 ? 26.288 12.520 19.271 1.00 18.75 ? ? ? ? ? ? 14 ARG B NE 1 -ATOM 1068 C CZ . ARG B 1 14 ? 26.489 13.396 18.267 1.00 17.61 ? ? ? ? ? ? 14 ARG B CZ 1 -ATOM 1069 N NH1 . ARG B 1 14 ? 27.340 13.131 17.281 1.00 21.18 ? ? ? ? ? ? 14 ARG B NH1 1 -ATOM 1070 N NH2 . ARG B 1 14 ? 25.818 14.542 18.261 1.00 13.12 ? ? ? ? ? ? 14 ARG B NH2 1 -ATOM 1071 H H . ARG B 1 14 ? 23.666 8.180 19.703 1.00 15.00 ? ? ? ? ? ? 14 ARG B H 1 -ATOM 1072 H HE . ARG B 1 14 ? 25.645 12.762 19.997 1.00 15.00 ? ? ? ? ? ? 14 ARG B HE 1 -ATOM 1073 H HH11 . ARG B 1 14 ? 27.865 12.281 17.269 1.00 15.00 ? ? ? ? ? ? 14 ARG B HH11 1 -ATOM 1074 H HH12 . ARG B 1 14 ? 27.463 13.799 16.546 1.00 15.00 ? ? ? ? ? ? 14 ARG B HH12 1 -ATOM 1075 H HH21 . ARG B 1 14 ? 25.170 14.740 18.995 1.00 15.00 ? ? ? ? ? ? 14 ARG B HH21 1 -ATOM 1076 H HH22 . ARG B 1 14 ? 25.958 15.206 17.525 1.00 15.00 ? ? ? ? ? ? 14 ARG B HH22 1 -ATOM 1077 N N . ILE B 1 15 ? 26.136 5.587 17.692 1.00 19.14 ? ? ? ? ? ? 15 ILE B N 1 -ATOM 1078 C CA . ILE B 1 15 ? 26.675 4.223 17.875 1.00 20.97 ? ? ? ? ? ? 15 ILE B CA 1 -ATOM 1079 C C . ILE B 1 15 ? 27.990 4.067 17.116 1.00 21.93 ? ? ? ? ? ? 15 ILE B C 1 -ATOM 1080 O O . ILE B 1 15 ? 28.096 4.437 15.946 1.00 21.67 ? ? ? ? ? ? 15 ILE B O 1 -ATOM 1081 C CB . ILE B 1 15 ? 25.761 3.081 17.346 1.00 21.14 ? ? ? ? ? ? 15 ILE B CB 1 -ATOM 1082 C CG1 . ILE B 1 15 ? 24.325 3.432 17.085 1.00 19.78 ? ? ? ? ? ? 15 ILE B CG1 1 -ATOM 1083 C CG2 . ILE B 1 15 ? 25.817 1.794 18.173 1.00 21.67 ? ? ? ? ? ? 15 ILE B CG2 1 -ATOM 1084 C CD1 . ILE B 1 15 ? 24.119 3.521 15.577 1.00 18.76 ? ? ? ? ? ? 15 ILE B CD1 1 -ATOM 1085 H H . ILE B 1 15 ? 26.065 6.047 16.803 1.00 15.00 ? ? ? ? ? ? 15 ILE B H 1 -ATOM 1086 N N . GLY B 1 16 ? 29.000 3.497 17.790 1.00 22.82 ? ? ? ? ? ? 16 GLY B N 1 -ATOM 1087 C CA . GLY B 1 16 ? 30.321 3.473 17.114 1.00 22.20 ? ? ? ? ? ? 16 GLY B CA 1 -ATOM 1088 C C . GLY B 1 16 ? 30.974 4.847 17.146 1.00 20.60 ? ? ? ? ? ? 16 GLY B C 1 -ATOM 1089 O O . GLY B 1 16 ? 30.938 5.546 18.147 1.00 25.71 ? ? ? ? ? ? 16 GLY B O 1 -ATOM 1090 H H . GLY B 1 16 ? 28.857 3.297 18.757 1.00 15.00 ? ? ? ? ? ? 16 GLY B H 1 -ATOM 1091 N N . GLY B 1 17 ? 31.437 5.279 15.994 1.00 18.01 ? ? ? ? ? ? 17 GLY B N 1 -ATOM 1092 C CA . GLY B 1 17 ? 31.429 6.751 15.988 1.00 19.32 ? ? ? ? ? ? 17 GLY B CA 1 -ATOM 1093 C C . GLY B 1 17 ? 30.339 7.400 15.110 1.00 23.21 ? ? ? ? ? ? 17 GLY B C 1 -ATOM 1094 O O . GLY B 1 17 ? 30.460 8.495 14.576 1.00 26.58 ? ? ? ? ? ? 17 GLY B O 1 -ATOM 1095 H H . GLY B 1 17 ? 31.595 4.698 15.200 1.00 15.00 ? ? ? ? ? ? 17 GLY B H 1 -ATOM 1096 N N . GLN B 1 18 ? 29.259 6.628 14.888 1.00 22.56 ? ? ? ? ? ? 18 GLN B N 1 -ATOM 1097 C CA . GLN B 1 18 ? 28.208 7.031 13.936 1.00 16.21 ? ? ? ? ? ? 18 GLN B CA 1 -ATOM 1098 C C . GLN B 1 18 ? 27.054 7.865 14.457 1.00 12.18 ? ? ? ? ? ? 18 GLN B C 1 -ATOM 1099 O O . GLN B 1 18 ? 26.491 7.608 15.509 1.00 9.33 ? ? ? ? ? ? 18 GLN B O 1 -ATOM 1100 C CB . GLN B 1 18 ? 27.677 5.814 13.157 1.00 18.45 ? ? ? ? ? ? 18 GLN B CB 1 -ATOM 1101 C CG . GLN B 1 18 ? 28.711 4.969 12.407 1.00 21.83 ? ? ? ? ? ? 18 GLN B CG 1 -ATOM 1102 C CD . GLN B 1 18 ? 29.484 5.767 11.340 1.00 31.86 ? ? ? ? ? ? 18 GLN B CD 1 -ATOM 1103 O OE1 . GLN B 1 18 ? 29.459 5.507 10.154 1.00 36.21 ? ? ? ? ? ? 18 GLN B OE1 1 -ATOM 1104 N NE2 . GLN B 1 18 ? 30.265 6.751 11.750 1.00 38.63 ? ? ? ? ? ? 18 GLN B NE2 1 -ATOM 1105 H H . GLN B 1 18 ? 29.143 5.839 15.481 1.00 15.00 ? ? ? ? ? ? 18 GLN B H 1 -ATOM 1106 H HE21 . GLN B 1 18 ? 30.753 7.166 10.988 1.00 15.00 ? ? ? ? ? ? 18 GLN B HE21 1 -ATOM 1107 H HE22 . GLN B 1 18 ? 30.409 7.077 12.678 1.00 15.00 ? ? ? ? ? ? 18 GLN B HE22 1 -ATOM 1108 N N . LEU B 1 19 ? 26.724 8.863 13.624 1.00 11.59 ? ? ? ? ? ? 19 LEU B N 1 -ATOM 1109 C CA . LEU B 1 19 ? 25.504 9.664 13.853 1.00 17.43 ? ? ? ? ? ? 19 LEU B CA 1 -ATOM 1110 C C . LEU B 1 19 ? 24.278 9.189 13.058 1.00 18.33 ? ? ? ? ? ? 19 LEU B C 1 -ATOM 1111 O O . LEU B 1 19 ? 24.321 9.210 11.834 1.00 15.36 ? ? ? ? ? ? 19 LEU B O 1 -ATOM 1112 C CB . LEU B 1 19 ? 25.725 11.148 13.493 1.00 19.73 ? ? ? ? ? ? 19 LEU B CB 1 -ATOM 1113 C CG . LEU B 1 19 ? 24.999 12.217 14.343 1.00 21.23 ? ? ? ? ? ? 19 LEU B CG 1 -ATOM 1114 C CD1 . LEU B 1 19 ? 25.361 13.624 13.837 1.00 21.44 ? ? ? ? ? ? 19 LEU B CD1 1 -ATOM 1115 C CD2 . LEU B 1 19 ? 23.485 12.072 14.414 1.00 18.91 ? ? ? ? ? ? 19 LEU B CD2 1 -ATOM 1116 H H . LEU B 1 19 ? 27.278 8.994 12.808 1.00 15.00 ? ? ? ? ? ? 19 LEU B H 1 -ATOM 1117 N N . LYS B 1 20 ? 23.215 8.804 13.816 1.00 16.80 ? ? ? ? ? ? 20 LYS B N 1 -ATOM 1118 C CA . LYS B 1 20 ? 21.904 8.407 13.282 1.00 15.52 ? ? ? ? ? ? 20 LYS B CA 1 -ATOM 1119 C C . LYS B 1 20 ? 20.676 9.181 13.812 1.00 17.36 ? ? ? ? ? ? 20 LYS B C 1 -ATOM 1120 O O . LYS B 1 20 ? 20.643 9.643 14.945 1.00 15.50 ? ? ? ? ? ? 20 LYS B O 1 -ATOM 1121 C CB . LYS B 1 20 ? 21.574 6.971 13.681 1.00 17.22 ? ? ? ? ? ? 20 LYS B CB 1 -ATOM 1122 C CG . LYS B 1 20 ? 22.607 5.882 13.524 1.00 13.99 ? ? ? ? ? ? 20 LYS B CG 1 -ATOM 1123 C CD . LYS B 1 20 ? 22.882 5.675 12.073 1.00 13.62 ? ? ? ? ? ? 20 LYS B CD 1 -ATOM 1124 C CE . LYS B 1 20 ? 24.025 4.717 11.895 1.00 16.99 ? ? ? ? ? ? 20 LYS B CE 1 -ATOM 1125 N NZ . LYS B 1 20 ? 24.484 4.868 10.504 1.00 24.02 ? ? ? ? ? ? 20 LYS B NZ 1 -ATOM 1126 H H . LYS B 1 20 ? 23.365 8.840 14.806 1.00 15.00 ? ? ? ? ? ? 20 LYS B H 1 -ATOM 1127 H HZ1 . LYS B 1 20 ? 24.754 5.857 10.329 1.00 15.00 ? ? ? ? ? ? 20 LYS B HZ1 1 -ATOM 1128 H HZ2 . LYS B 1 20 ? 25.303 4.247 10.342 1.00 15.00 ? ? ? ? ? ? 20 LYS B HZ2 1 -ATOM 1129 H HZ3 . LYS B 1 20 ? 23.715 4.598 9.857 1.00 15.00 ? ? ? ? ? ? 20 LYS B HZ3 1 -ATOM 1130 N N . GLU B 1 21 ? 19.602 9.192 12.983 1.00 20.16 ? ? ? ? ? ? 21 GLU B N 1 -ATOM 1131 C CA . GLU B 1 21 ? 18.268 9.421 13.598 1.00 21.51 ? ? ? ? ? ? 21 GLU B CA 1 -ATOM 1132 C C . GLU B 1 21 ? 17.361 8.190 13.818 1.00 18.01 ? ? ? ? ? ? 21 GLU B C 1 -ATOM 1133 O O . GLU B 1 21 ? 17.343 7.233 13.047 1.00 18.22 ? ? ? ? ? ? 21 GLU B O 1 -ATOM 1134 C CB . GLU B 1 21 ? 17.480 10.520 12.888 1.00 27.81 ? ? ? ? ? ? 21 GLU B CB 1 -ATOM 1135 C CG . GLU B 1 21 ? 17.066 10.131 11.457 1.00 39.64 ? ? ? ? ? ? 21 GLU B CG 1 -ATOM 1136 C CD . GLU B 1 21 ? 15.964 11.031 10.886 1.00 45.64 ? ? ? ? ? ? 21 GLU B CD 1 -ATOM 1137 O OE1 . GLU B 1 21 ? 15.654 12.058 11.515 1.00 50.60 ? ? ? ? ? ? 21 GLU B OE1 1 -ATOM 1138 O OE2 . GLU B 1 21 ? 15.421 10.685 9.817 1.00 42.07 ? ? ? ? ? ? 21 GLU B OE2 1 -ATOM 1139 H H . GLU B 1 21 ? 19.729 8.916 12.035 1.00 15.00 ? ? ? ? ? ? 21 GLU B H 1 -ATOM 1140 N N . ALA B 1 22 ? 16.616 8.230 14.925 1.00 13.80 ? ? ? ? ? ? 22 ALA B N 1 -ATOM 1141 C CA . ALA B 1 22 ? 15.823 7.055 15.287 1.00 11.87 ? ? ? ? ? ? 22 ALA B CA 1 -ATOM 1142 C C . ALA B 1 22 ? 14.518 7.381 16.019 1.00 11.18 ? ? ? ? ? ? 22 ALA B C 1 -ATOM 1143 O O . ALA B 1 22 ? 14.447 8.415 16.662 1.00 11.74 ? ? ? ? ? ? 22 ALA B O 1 -ATOM 1144 C CB . ALA B 1 22 ? 16.666 6.101 16.149 1.00 10.30 ? ? ? ? ? ? 22 ALA B CB 1 -ATOM 1145 H H . ALA B 1 22 ? 16.676 9.025 15.523 1.00 15.00 ? ? ? ? ? ? 22 ALA B H 1 -ATOM 1146 N N . LEU B 1 23 ? 13.514 6.468 15.921 1.00 10.61 ? ? ? ? ? ? 23 LEU B N 1 -ATOM 1147 C CA . LEU B 1 23 ? 12.192 6.568 16.594 1.00 9.03 ? ? ? ? ? ? 23 LEU B CA 1 -ATOM 1148 C C . LEU B 1 23 ? 12.109 6.049 18.004 1.00 4.38 ? ? ? ? ? ? 23 LEU B C 1 -ATOM 1149 O O . LEU B 1 23 ? 12.334 4.875 18.258 1.00 3.93 ? ? ? ? ? ? 23 LEU B O 1 -ATOM 1150 C CB . LEU B 1 23 ? 11.040 5.757 15.925 1.00 14.89 ? ? ? ? ? ? 23 LEU B CB 1 -ATOM 1151 C CG . LEU B 1 23 ? 10.386 6.220 14.622 1.00 15.84 ? ? ? ? ? ? 23 LEU B CG 1 -ATOM 1152 C CD1 . LEU B 1 23 ? 9.509 5.129 14.020 1.00 15.65 ? ? ? ? ? ? 23 LEU B CD1 1 -ATOM 1153 C CD2 . LEU B 1 23 ? 9.588 7.493 14.822 1.00 18.35 ? ? ? ? ? ? 23 LEU B CD2 1 -ATOM 1154 H H . LEU B 1 23 ? 13.736 5.654 15.389 1.00 15.00 ? ? ? ? ? ? 23 LEU B H 1 -ATOM 1155 N N . LEU B 1 24 ? 11.672 6.936 18.895 1.00 4.41 ? ? ? ? ? ? 24 LEU B N 1 -ATOM 1156 C CA . LEU B 1 24 ? 11.209 6.427 20.199 1.00 5.96 ? ? ? ? ? ? 24 LEU B CA 1 -ATOM 1157 C C . LEU B 1 24 ? 9.869 5.589 20.226 1.00 6.17 ? ? ? ? ? ? 24 LEU B C 1 -ATOM 1158 O O . LEU B 1 24 ? 8.750 6.062 20.072 1.00 3.94 ? ? ? ? ? ? 24 LEU B O 1 -ATOM 1159 C CB . LEU B 1 24 ? 11.234 7.643 21.120 1.00 9.00 ? ? ? ? ? ? 24 LEU B CB 1 -ATOM 1160 C CG . LEU B 1 24 ? 12.381 7.678 22.141 1.00 12.19 ? ? ? ? ? ? 24 LEU B CG 1 -ATOM 1161 C CD1 . LEU B 1 24 ? 13.719 7.199 21.578 1.00 6.06 ? ? ? ? ? ? 24 LEU B CD1 1 -ATOM 1162 C CD2 . LEU B 1 24 ? 12.451 9.015 22.873 1.00 5.03 ? ? ? ? ? ? 24 LEU B CD2 1 -ATOM 1163 H H . LEU B 1 24 ? 11.549 7.886 18.602 1.00 15.00 ? ? ? ? ? ? 24 LEU B H 1 -ATOM 1164 N N . ASP B 1 25 ? 10.009 4.262 20.364 1.00 7.45 ? ? ? ? ? ? 25 ASP B N 1 -ATOM 1165 C CA . ASP B 1 25 ? 8.798 3.452 20.120 1.00 7.91 ? ? ? ? ? ? 25 ASP B CA 1 -ATOM 1166 C C . ASP B 1 25 ? 8.248 2.587 21.300 1.00 5.74 ? ? ? ? ? ? 25 ASP B C 1 -ATOM 1167 O O . ASP B 1 25 ? 8.641 1.467 21.562 1.00 6.02 ? ? ? ? ? ? 25 ASP B O 1 -ATOM 1168 C CB . ASP B 1 25 ? 9.015 2.651 18.801 1.00 9.14 ? ? ? ? ? ? 25 ASP B CB 1 -ATOM 1169 C CG . ASP B 1 25 ? 7.778 1.925 18.308 1.00 12.45 ? ? ? ? ? ? 25 ASP B CG 1 -ATOM 1170 O OD1 . ASP B 1 25 ? 6.703 2.106 18.868 1.00 21.66 ? ? ? ? ? ? 25 ASP B OD1 1 -ATOM 1171 O OD2 . ASP B 1 25 ? 7.881 1.162 17.360 1.00 11.59 ? ? ? ? ? ? 25 ASP B OD2 1 -ATOM 1172 H H . ASP B 1 25 ? 10.914 3.852 20.515 1.00 15.00 ? ? ? ? ? ? 25 ASP B H 1 -ATOM 1173 N N . THR B 1 26 ? 7.241 3.084 22.009 1.00 6.69 ? ? ? ? ? ? 26 THR B N 1 -ATOM 1174 C CA . THR B 1 26 ? 6.714 2.258 23.143 1.00 6.27 ? ? ? ? ? ? 26 THR B CA 1 -ATOM 1175 C C . THR B 1 26 ? 6.004 0.933 22.778 1.00 7.34 ? ? ? ? ? ? 26 THR B C 1 -ATOM 1176 O O . THR B 1 26 ? 5.793 0.036 23.578 1.00 8.88 ? ? ? ? ? ? 26 THR B O 1 -ATOM 1177 C CB . THR B 1 26 ? 5.729 3.109 23.933 1.00 6.84 ? ? ? ? ? ? 26 THR B CB 1 -ATOM 1178 O OG1 . THR B 1 26 ? 4.608 3.464 23.074 1.00 9.25 ? ? ? ? ? ? 26 THR B OG1 1 -ATOM 1179 C CG2 . THR B 1 26 ? 6.425 4.368 24.451 1.00 2.00 ? ? ? ? ? ? 26 THR B CG2 1 -ATOM 1180 H H . THR B 1 26 ? 6.901 4.007 21.818 1.00 15.00 ? ? ? ? ? ? 26 THR B H 1 -ATOM 1181 H HG1 . THR B 1 26 ? 3.859 2.953 23.397 1.00 15.00 ? ? ? ? ? ? 26 THR B HG1 1 -ATOM 1182 N N . GLY B 1 27 ? 5.656 0.858 21.478 1.00 4.35 ? ? ? ? ? ? 27 GLY B N 1 -ATOM 1183 C CA . GLY B 1 27 ? 5.173 -0.400 20.906 1.00 9.46 ? ? ? ? ? ? 27 GLY B CA 1 -ATOM 1184 C C . GLY B 1 27 ? 6.203 -1.516 20.597 1.00 15.26 ? ? ? ? ? ? 27 GLY B C 1 -ATOM 1185 O O . GLY B 1 27 ? 5.877 -2.692 20.436 1.00 17.22 ? ? ? ? ? ? 27 GLY B O 1 -ATOM 1186 H H . GLY B 1 27 ? 5.801 1.683 20.945 1.00 15.00 ? ? ? ? ? ? 27 GLY B H 1 -ATOM 1187 N N . ALA B 1 28 ? 7.492 -1.103 20.522 1.00 14.40 ? ? ? ? ? ? 28 ALA B N 1 -ATOM 1188 C CA . ALA B 1 28 ? 8.551 -2.107 20.342 1.00 5.74 ? ? ? ? ? ? 28 ALA B CA 1 -ATOM 1189 C C . ALA B 1 28 ? 9.165 -2.701 21.615 1.00 2.42 ? ? ? ? ? ? 28 ALA B C 1 -ATOM 1190 O O . ALA B 1 28 ? 9.669 -2.061 22.526 1.00 2.00 ? ? ? ? ? ? 28 ALA B O 1 -ATOM 1191 C CB . ALA B 1 28 ? 9.661 -1.568 19.447 1.00 4.25 ? ? ? ? ? ? 28 ALA B CB 1 -ATOM 1192 H H . ALA B 1 28 ? 7.713 -0.156 20.744 1.00 15.00 ? ? ? ? ? ? 28 ALA B H 1 -ATOM 1193 N N . ASP B 1 29 ? 9.112 -4.029 21.619 1.00 2.74 ? ? ? ? ? ? 29 ASP B N 1 -ATOM 1194 C CA . ASP B 1 29 ? 9.838 -4.791 22.645 1.00 2.57 ? ? ? ? ? ? 29 ASP B CA 1 -ATOM 1195 C C . ASP B 1 29 ? 11.373 -4.638 22.626 1.00 3.27 ? ? ? ? ? ? 29 ASP B C 1 -ATOM 1196 O O . ASP B 1 29 ? 12.073 -4.576 23.621 1.00 7.51 ? ? ? ? ? ? 29 ASP B O 1 -ATOM 1197 C CB . ASP B 1 29 ? 9.512 -6.271 22.479 1.00 5.23 ? ? ? ? ? ? 29 ASP B CB 1 -ATOM 1198 C CG . ASP B 1 29 ? 8.133 -6.745 22.899 1.00 9.26 ? ? ? ? ? ? 29 ASP B CG 1 -ATOM 1199 O OD1 . ASP B 1 29 ? 7.455 -6.048 23.657 1.00 14.61 ? ? ? ? ? ? 29 ASP B OD1 1 -ATOM 1200 O OD2 . ASP B 1 29 ? 7.756 -7.845 22.469 1.00 8.73 ? ? ? ? ? ? 29 ASP B OD2 1 -ATOM 1201 H H . ASP B 1 29 ? 8.540 -4.432 20.905 1.00 15.00 ? ? ? ? ? ? 29 ASP B H 1 -ATOM 1202 N N . ASP B 1 30 ? 11.861 -4.594 21.390 1.00 6.36 ? ? ? ? ? ? 30 ASP B N 1 -ATOM 1203 C CA . ASP B 1 30 ? 13.280 -4.652 21.055 1.00 9.02 ? ? ? ? ? ? 30 ASP B CA 1 -ATOM 1204 C C . ASP B 1 30 ? 13.748 -3.529 20.146 1.00 8.29 ? ? ? ? ? ? 30 ASP B C 1 -ATOM 1205 O O . ASP B 1 30 ? 12.983 -2.852 19.483 1.00 11.43 ? ? ? ? ? ? 30 ASP B O 1 -ATOM 1206 C CB . ASP B 1 30 ? 13.615 -5.914 20.256 1.00 14.97 ? ? ? ? ? ? 30 ASP B CB 1 -ATOM 1207 C CG . ASP B 1 30 ? 13.403 -7.271 20.937 1.00 16.52 ? ? ? ? ? ? 30 ASP B CG 1 -ATOM 1208 O OD1 . ASP B 1 30 ? 13.879 -7.478 22.077 1.00 13.64 ? ? ? ? ? ? 30 ASP B OD1 1 -ATOM 1209 O OD2 . ASP B 1 30 ? 12.783 -8.114 20.271 1.00 16.84 ? ? ? ? ? ? 30 ASP B OD2 1 -ATOM 1210 H H . ASP B 1 30 ? 11.189 -4.560 20.656 1.00 15.00 ? ? ? ? ? ? 30 ASP B H 1 -ATOM 1211 N N . THR B 1 31 ? 15.069 -3.377 20.133 1.00 11.09 ? ? ? ? ? ? 31 THR B N 1 -ATOM 1212 C CA . THR B 1 31 ? 15.689 -2.288 19.330 1.00 10.79 ? ? ? ? ? ? 31 THR B CA 1 -ATOM 1213 C C . THR B 1 31 ? 16.168 -2.748 17.969 1.00 5.57 ? ? ? ? ? ? 31 THR B C 1 -ATOM 1214 O O . THR B 1 31 ? 16.972 -3.643 17.843 1.00 11.09 ? ? ? ? ? ? 31 THR B O 1 -ATOM 1215 C CB . THR B 1 31 ? 16.851 -1.587 20.106 1.00 7.86 ? ? ? ? ? ? 31 THR B CB 1 -ATOM 1216 O OG1 . THR B 1 31 ? 16.360 -0.962 21.300 1.00 3.89 ? ? ? ? ? ? 31 THR B OG1 1 -ATOM 1217 C CG2 . THR B 1 31 ? 17.629 -0.548 19.287 1.00 2.00 ? ? ? ? ? ? 31 THR B CG2 1 -ATOM 1218 H H . THR B 1 31 ? 15.617 -4.041 20.639 1.00 15.00 ? ? ? ? ? ? 31 THR B H 1 -ATOM 1219 H HG1 . THR B 1 31 ? 16.103 -1.648 21.915 1.00 15.00 ? ? ? ? ? ? 31 THR B HG1 1 -ATOM 1220 N N . VAL B 1 32 ? 15.612 -2.144 16.947 1.00 6.15 ? ? ? ? ? ? 32 VAL B N 1 -ATOM 1221 C CA . VAL B 1 32 ? 15.849 -2.621 15.593 1.00 6.00 ? ? ? ? ? ? 32 VAL B CA 1 -ATOM 1222 C C . VAL B 1 32 ? 16.503 -1.559 14.738 1.00 7.16 ? ? ? ? ? ? 32 VAL B C 1 -ATOM 1223 O O . VAL B 1 32 ? 15.939 -0.497 14.526 1.00 12.47 ? ? ? ? ? ? 32 VAL B O 1 -ATOM 1224 C CB . VAL B 1 32 ? 14.518 -3.116 15.014 1.00 3.33 ? ? ? ? ? ? 32 VAL B CB 1 -ATOM 1225 C CG1 . VAL B 1 32 ? 14.578 -3.566 13.547 1.00 8.75 ? ? ? ? ? ? 32 VAL B CG1 1 -ATOM 1226 C CG2 . VAL B 1 32 ? 14.063 -4.290 15.870 1.00 2.01 ? ? ? ? ? ? 32 VAL B CG2 1 -ATOM 1227 H H . VAL B 1 32 ? 15.020 -1.362 17.150 1.00 15.00 ? ? ? ? ? ? 32 VAL B H 1 -ATOM 1228 N N . LEU B 1 33 ? 17.741 -1.848 14.325 1.00 7.71 ? ? ? ? ? ? 33 LEU B N 1 -ATOM 1229 C CA . LEU B 1 33 ? 18.539 -0.837 13.600 1.00 10.06 ? ? ? ? ? ? 33 LEU B CA 1 -ATOM 1230 C C . LEU B 1 33 ? 18.820 -1.204 12.169 1.00 9.90 ? ? ? ? ? ? 33 LEU B C 1 -ATOM 1231 O O . LEU B 1 33 ? 18.788 -2.357 11.795 1.00 15.88 ? ? ? ? ? ? 33 LEU B O 1 -ATOM 1232 C CB . LEU B 1 33 ? 19.892 -0.557 14.286 1.00 11.85 ? ? ? ? ? ? 33 LEU B CB 1 -ATOM 1233 C CG . LEU B 1 33 ? 20.078 0.579 15.330 1.00 14.18 ? ? ? ? ? ? 33 LEU B CG 1 -ATOM 1234 C CD1 . LEU B 1 33 ? 18.852 0.924 16.195 1.00 13.47 ? ? ? ? ? ? 33 LEU B CD1 1 -ATOM 1235 C CD2 . LEU B 1 33 ? 21.275 0.276 16.230 1.00 12.15 ? ? ? ? ? ? 33 LEU B CD2 1 -ATOM 1236 H H . LEU B 1 33 ? 18.087 -2.770 14.499 1.00 15.00 ? ? ? ? ? ? 33 LEU B H 1 -ATOM 1237 N N . GLU B 1 34 ? 19.111 -0.206 11.360 1.00 14.19 ? ? ? ? ? ? 34 GLU B N 1 -ATOM 1238 C CA . GLU B 1 34 ? 19.536 -0.485 9.975 1.00 16.04 ? ? ? ? ? ? 34 GLU B CA 1 -ATOM 1239 C C . GLU B 1 34 ? 20.898 -1.177 9.727 1.00 15.98 ? ? ? ? ? ? 34 GLU B C 1 -ATOM 1240 O O . GLU B 1 34 ? 21.813 -1.161 10.535 1.00 15.35 ? ? ? ? ? ? 34 GLU B O 1 -ATOM 1241 C CB . GLU B 1 34 ? 19.605 0.826 9.249 1.00 19.39 ? ? ? ? ? ? 34 GLU B CB 1 -ATOM 1242 C CG . GLU B 1 34 ? 20.722 1.739 9.795 1.00 26.76 ? ? ? ? ? ? 34 GLU B CG 1 -ATOM 1243 C CD . GLU B 1 34 ? 20.801 2.877 8.814 1.00 34.63 ? ? ? ? ? ? 34 GLU B CD 1 -ATOM 1244 O OE1 . GLU B 1 34 ? 21.217 2.616 7.682 1.00 43.75 ? ? ? ? ? ? 34 GLU B OE1 1 -ATOM 1245 O OE2 . GLU B 1 34 ? 20.420 3.998 9.160 1.00 32.10 ? ? ? ? ? ? 34 GLU B OE2 1 -ATOM 1246 H H . GLU B 1 34 ? 19.139 0.709 11.757 1.00 15.00 ? ? ? ? ? ? 34 GLU B H 1 -ATOM 1247 N N . GLU B 1 35 ? 21.037 -1.752 8.535 1.00 17.85 ? ? ? ? ? ? 35 GLU B N 1 -ATOM 1248 C CA . GLU B 1 35 ? 22.295 -2.452 8.201 1.00 19.01 ? ? ? ? ? ? 35 GLU B CA 1 -ATOM 1249 C C . GLU B 1 35 ? 23.624 -1.752 8.500 1.00 20.56 ? ? ? ? ? ? 35 GLU B C 1 -ATOM 1250 O O . GLU B 1 35 ? 23.953 -0.712 7.941 1.00 22.63 ? ? ? ? ? ? 35 GLU B O 1 -ATOM 1251 C CB . GLU B 1 35 ? 22.267 -2.892 6.739 1.00 18.71 ? ? ? ? ? ? 35 GLU B CB 1 -ATOM 1252 C CG . GLU B 1 35 ? 23.137 -4.070 6.309 1.00 25.41 ? ? ? ? ? ? 35 GLU B CG 1 -ATOM 1253 C CD . GLU B 1 35 ? 23.127 -5.194 7.320 1.00 31.07 ? ? ? ? ? ? 35 GLU B CD 1 -ATOM 1254 O OE1 . GLU B 1 35 ? 22.065 -5.751 7.614 1.00 33.01 ? ? ? ? ? ? 35 GLU B OE1 1 -ATOM 1255 O OE2 . GLU B 1 35 ? 24.211 -5.505 7.809 1.00 33.12 ? ? ? ? ? ? 35 GLU B OE2 1 -ATOM 1256 H H . GLU B 1 35 ? 20.282 -1.708 7.888 1.00 15.00 ? ? ? ? ? ? 35 GLU B H 1 -ATOM 1257 N N . MET B 1 36 ? 24.359 -2.401 9.417 1.00 17.85 ? ? ? ? ? ? 36 MET B N 1 -ATOM 1258 C CA . MET B 1 36 ? 25.668 -1.889 9.802 1.00 16.22 ? ? ? ? ? ? 36 MET B CA 1 -ATOM 1259 C C . MET B 1 36 ? 26.715 -2.887 10.316 1.00 19.10 ? ? ? ? ? ? 36 MET B C 1 -ATOM 1260 O O . MET B 1 36 ? 26.436 -3.975 10.790 1.00 20.28 ? ? ? ? ? ? 36 MET B O 1 -ATOM 1261 C CB . MET B 1 36 ? 25.499 -0.745 10.786 1.00 18.45 ? ? ? ? ? ? 36 MET B CB 1 -ATOM 1262 C CG . MET B 1 36 ? 25.081 -1.138 12.201 1.00 21.13 ? ? ? ? ? ? 36 MET B CG 1 -ATOM 1263 S SD . MET B 1 36 ? 25.048 0.354 13.194 1.00 23.85 ? ? ? ? ? ? 36 MET B SD 1 -ATOM 1264 C CE . MET B 1 36 ? 23.662 1.119 12.338 1.00 23.44 ? ? ? ? ? ? 36 MET B CE 1 -ATOM 1265 H H . MET B 1 36 ? 23.929 -3.187 9.853 1.00 15.00 ? ? ? ? ? ? 36 MET B H 1 -ATOM 1266 N N . ASN B 1 37 ? 27.986 -2.485 10.207 1.00 22.03 ? ? ? ? ? ? 37 ASN B N 1 -ATOM 1267 C CA . ASN B 1 37 ? 28.949 -3.438 10.791 1.00 23.18 ? ? ? ? ? ? 37 ASN B CA 1 -ATOM 1268 C C . ASN B 1 37 ? 29.378 -3.126 12.225 1.00 19.96 ? ? ? ? ? ? 37 ASN B C 1 -ATOM 1269 O O . ASN B 1 37 ? 29.725 -2.007 12.566 1.00 20.91 ? ? ? ? ? ? 37 ASN B O 1 -ATOM 1270 C CB . ASN B 1 37 ? 30.132 -3.676 9.826 1.00 27.49 ? ? ? ? ? ? 37 ASN B CB 1 -ATOM 1271 C CG . ASN B 1 37 ? 30.702 -5.077 10.023 1.00 35.24 ? ? ? ? ? ? 37 ASN B CG 1 -ATOM 1272 O OD1 . ASN B 1 37 ? 30.397 -5.788 10.963 1.00 41.93 ? ? ? ? ? ? 37 ASN B OD1 1 -ATOM 1273 N ND2 . ASN B 1 37 ? 31.570 -5.480 9.113 1.00 36.98 ? ? ? ? ? ? 37 ASN B ND2 1 -ATOM 1274 H H . ASN B 1 37 ? 28.195 -1.569 9.874 1.00 15.00 ? ? ? ? ? ? 37 ASN B H 1 -ATOM 1275 H HD21 . ASN B 1 37 ? 31.921 -6.393 9.305 1.00 15.00 ? ? ? ? ? ? 37 ASN B HD21 1 -ATOM 1276 H HD22 . ASN B 1 37 ? 31.883 -4.926 8.350 1.00 15.00 ? ? ? ? ? ? 37 ASN B HD22 1 -ATOM 1277 N N . LEU B 1 38 ? 29.309 -4.142 13.064 1.00 16.38 ? ? ? ? ? ? 38 LEU B N 1 -ATOM 1278 C CA . LEU B 1 38 ? 29.572 -3.902 14.486 1.00 13.73 ? ? ? ? ? ? 38 LEU B CA 1 -ATOM 1279 C C . LEU B 1 38 ? 30.672 -4.815 15.041 1.00 16.59 ? ? ? ? ? ? 38 LEU B C 1 -ATOM 1280 O O . LEU B 1 38 ? 30.881 -5.966 14.639 1.00 18.31 ? ? ? ? ? ? 38 LEU B O 1 -ATOM 1281 C CB . LEU B 1 38 ? 28.261 -4.104 15.252 1.00 8.78 ? ? ? ? ? ? 38 LEU B CB 1 -ATOM 1282 C CG . LEU B 1 38 ? 27.534 -2.931 15.893 1.00 8.20 ? ? ? ? ? ? 38 LEU B CG 1 -ATOM 1283 C CD1 . LEU B 1 38 ? 27.680 -1.620 15.152 1.00 6.79 ? ? ? ? ? ? 38 LEU B CD1 1 -ATOM 1284 C CD2 . LEU B 1 38 ? 26.049 -3.255 16.082 1.00 9.67 ? ? ? ? ? ? 38 LEU B CD2 1 -ATOM 1285 H H . LEU B 1 38 ? 29.106 -5.046 12.686 1.00 15.00 ? ? ? ? ? ? 38 LEU B H 1 -ATOM 1286 N N . PRO B 1 39 ? 31.437 -4.284 16.011 1.00 16.54 ? ? ? ? ? ? 39 PRO B N 1 -ATOM 1287 C CA . PRO B 1 39 ? 32.392 -5.211 16.638 1.00 16.80 ? ? ? ? ? ? 39 PRO B CA 1 -ATOM 1288 C C . PRO B 1 39 ? 31.710 -6.381 17.333 1.00 18.98 ? ? ? ? ? ? 39 PRO B C 1 -ATOM 1289 O O . PRO B 1 39 ? 30.861 -6.185 18.187 1.00 23.65 ? ? ? ? ? ? 39 PRO B O 1 -ATOM 1290 C CB . PRO B 1 39 ? 33.194 -4.307 17.571 1.00 11.55 ? ? ? ? ? ? 39 PRO B CB 1 -ATOM 1291 C CG . PRO B 1 39 ? 32.285 -3.098 17.816 1.00 18.60 ? ? ? ? ? ? 39 PRO B CG 1 -ATOM 1292 C CD . PRO B 1 39 ? 31.499 -2.919 16.509 1.00 15.25 ? ? ? ? ? ? 39 PRO B CD 1 -ATOM 1293 N N . GLY B 1 40 ? 32.112 -7.602 16.940 1.00 19.65 ? ? ? ? ? ? 40 GLY B N 1 -ATOM 1294 C CA . GLY B 1 40 ? 31.768 -8.774 17.771 1.00 19.46 ? ? ? ? ? ? 40 GLY B CA 1 -ATOM 1295 C C . GLY B 1 40 ? 31.086 -10.008 17.131 1.00 19.70 ? ? ? ? ? ? 40 GLY B C 1 -ATOM 1296 O O . GLY B 1 40 ? 30.880 -10.132 15.928 1.00 16.77 ? ? ? ? ? ? 40 GLY B O 1 -ATOM 1297 H H . GLY B 1 40 ? 32.609 -7.655 16.081 1.00 15.00 ? ? ? ? ? ? 40 GLY B H 1 -ATOM 1298 N N . LYS B 1 41 ? 30.735 -10.942 18.032 1.00 22.02 ? ? ? ? ? ? 41 LYS B N 1 -ATOM 1299 C CA . LYS B 1 41 ? 29.912 -12.108 17.617 1.00 23.82 ? ? ? ? ? ? 41 LYS B CA 1 -ATOM 1300 C C . LYS B 1 41 ? 28.393 -11.915 17.692 1.00 21.29 ? ? ? ? ? ? 41 LYS B C 1 -ATOM 1301 O O . LYS B 1 41 ? 27.859 -11.242 18.567 1.00 25.33 ? ? ? ? ? ? 41 LYS B O 1 -ATOM 1302 C CB . LYS B 1 41 ? 30.291 -13.337 18.450 1.00 28.74 ? ? ? ? ? ? 41 LYS B CB 1 -ATOM 1303 C CG . LYS B 1 41 ? 31.518 -14.026 17.845 1.00 36.82 ? ? ? ? ? ? 41 LYS B CG 1 -ATOM 1304 C CD . LYS B 1 41 ? 32.275 -14.891 18.859 1.00 43.84 ? ? ? ? ? ? 41 LYS B CD 1 -ATOM 1305 C CE . LYS B 1 41 ? 33.584 -15.475 18.292 1.00 50.21 ? ? ? ? ? ? 41 LYS B CE 1 -ATOM 1306 N NZ . LYS B 1 41 ? 34.272 -16.305 19.307 1.00 53.29 ? ? ? ? ? ? 41 LYS B NZ 1 -ATOM 1307 H H . LYS B 1 41 ? 30.884 -10.710 18.991 1.00 15.00 ? ? ? ? ? ? 41 LYS B H 1 -ATOM 1308 H HZ1 . LYS B 1 41 ? 34.471 -15.730 20.151 1.00 15.00 ? ? ? ? ? ? 41 LYS B HZ1 1 -ATOM 1309 H HZ2 . LYS B 1 41 ? 33.664 -17.106 19.573 1.00 15.00 ? ? ? ? ? ? 41 LYS B HZ2 1 -ATOM 1310 H HZ3 . LYS B 1 41 ? 35.165 -16.665 18.913 1.00 15.00 ? ? ? ? ? ? 41 LYS B HZ3 1 -ATOM 1311 N N . TRP B 1 42 ? 27.716 -12.539 16.733 1.00 17.46 ? ? ? ? ? ? 42 TRP B N 1 -ATOM 1312 C CA . TRP B 1 42 ? 26.251 -12.403 16.649 1.00 13.49 ? ? ? ? ? ? 42 TRP B CA 1 -ATOM 1313 C C . TRP B 1 42 ? 25.510 -13.703 16.324 1.00 12.15 ? ? ? ? ? ? 42 TRP B C 1 -ATOM 1314 O O . TRP B 1 42 ? 26.051 -14.654 15.782 1.00 14.95 ? ? ? ? ? ? 42 TRP B O 1 -ATOM 1315 C CB . TRP B 1 42 ? 25.920 -11.301 15.634 1.00 12.14 ? ? ? ? ? ? 42 TRP B CB 1 -ATOM 1316 C CG . TRP B 1 42 ? 26.433 -11.709 14.276 1.00 13.33 ? ? ? ? ? ? 42 TRP B CG 1 -ATOM 1317 C CD1 . TRP B 1 42 ? 27.694 -11.399 13.751 1.00 11.85 ? ? ? ? ? ? 42 TRP B CD1 1 -ATOM 1318 C CD2 . TRP B 1 42 ? 25.816 -12.577 13.295 1.00 13.96 ? ? ? ? ? ? 42 TRP B CD2 1 -ATOM 1319 N NE1 . TRP B 1 42 ? 27.895 -12.010 12.555 1.00 15.10 ? ? ? ? ? ? 42 TRP B NE1 1 -ATOM 1320 C CE2 . TRP B 1 42 ? 26.761 -12.752 12.231 1.00 16.59 ? ? ? ? ? ? 42 TRP B CE2 1 -ATOM 1321 C CE3 . TRP B 1 42 ? 24.574 -13.230 13.225 1.00 15.64 ? ? ? ? ? ? 42 TRP B CE3 1 -ATOM 1322 C CZ2 . TRP B 1 42 ? 26.437 -13.571 11.121 1.00 13.61 ? ? ? ? ? ? 42 TRP B CZ2 1 -ATOM 1323 C CZ3 . TRP B 1 42 ? 24.267 -14.045 12.116 1.00 15.99 ? ? ? ? ? ? 42 TRP B CZ3 1 -ATOM 1324 C CH2 . TRP B 1 42 ? 25.190 -14.212 11.063 1.00 13.09 ? ? ? ? ? ? 42 TRP B CH2 1 -ATOM 1325 H H . TRP B 1 42 ? 28.224 -13.083 16.070 1.00 15.00 ? ? ? ? ? ? 42 TRP B H 1 -ATOM 1326 H HE1 . TRP B 1 42 ? 28.703 -11.932 12.009 1.00 15.00 ? ? ? ? ? ? 42 TRP B HE1 1 -ATOM 1327 N N . LYS B 1 43 ? 24.230 -13.726 16.645 1.00 14.76 ? ? ? ? ? ? 43 LYS B N 1 -ATOM 1328 C CA . LYS B 1 43 ? 23.372 -14.840 16.156 1.00 15.01 ? ? ? ? ? ? 43 LYS B CA 1 -ATOM 1329 C C . LYS B 1 43 ? 22.199 -14.340 15.321 1.00 11.60 ? ? ? ? ? ? 43 LYS B C 1 -ATOM 1330 O O . LYS B 1 43 ? 21.748 -13.221 15.518 1.00 8.57 ? ? ? ? ? ? 43 LYS B O 1 -ATOM 1331 C CB . LYS B 1 43 ? 22.767 -15.644 17.315 1.00 16.41 ? ? ? ? ? ? 43 LYS B CB 1 -ATOM 1332 C CG . LYS B 1 43 ? 23.607 -15.698 18.598 1.00 25.64 ? ? ? ? ? ? 43 LYS B CG 1 -ATOM 1333 C CD . LYS B 1 43 ? 22.793 -16.192 19.807 1.00 30.49 ? ? ? ? ? ? 43 LYS B CD 1 -ATOM 1334 C CE . LYS B 1 43 ? 23.348 -15.681 21.147 1.00 36.04 ? ? ? ? ? ? 43 LYS B CE 1 -ATOM 1335 N NZ . LYS B 1 43 ? 22.471 -16.056 22.271 1.00 38.16 ? ? ? ? ? ? 43 LYS B NZ 1 -ATOM 1336 H H . LYS B 1 43 ? 23.865 -12.950 17.161 1.00 15.00 ? ? ? ? ? ? 43 LYS B H 1 -ATOM 1337 H HZ1 . LYS B 1 43 ? 22.222 -17.062 22.183 1.00 15.00 ? ? ? ? ? ? 43 LYS B HZ1 1 -ATOM 1338 H HZ2 . LYS B 1 43 ? 22.986 -15.906 23.162 1.00 15.00 ? ? ? ? ? ? 43 LYS B HZ2 1 -ATOM 1339 H HZ3 . LYS B 1 43 ? 21.605 -15.481 22.263 1.00 15.00 ? ? ? ? ? ? 43 LYS B HZ3 1 -ATOM 1340 N N . PRO B 1 44 ? 21.685 -15.153 14.386 1.00 11.50 ? ? ? ? ? ? 44 PRO B N 1 -ATOM 1341 C CA . PRO B 1 44 ? 20.414 -14.773 13.752 1.00 10.15 ? ? ? ? ? ? 44 PRO B CA 1 -ATOM 1342 C C . PRO B 1 44 ? 19.083 -15.026 14.525 1.00 14.71 ? ? ? ? ? ? 44 PRO B C 1 -ATOM 1343 O O . PRO B 1 44 ? 18.892 -15.789 15.474 1.00 15.94 ? ? ? ? ? ? 44 PRO B O 1 -ATOM 1344 C CB . PRO B 1 44 ? 20.520 -15.507 12.434 1.00 7.39 ? ? ? ? ? ? 44 PRO B CB 1 -ATOM 1345 C CG . PRO B 1 44 ? 21.262 -16.797 12.740 1.00 10.30 ? ? ? ? ? ? 44 PRO B CG 1 -ATOM 1346 C CD . PRO B 1 44 ? 22.250 -16.379 13.839 1.00 15.80 ? ? ? ? ? ? 44 PRO B CD 1 -ATOM 1347 N N . LYS B 1 45 ? 18.106 -14.284 14.016 1.00 14.12 ? ? ? ? ? ? 45 LYS B N 1 -ATOM 1348 C CA . LYS B 1 45 ? 16.794 -14.321 14.642 1.00 7.59 ? ? ? ? ? ? 45 LYS B CA 1 -ATOM 1349 C C . LYS B 1 45 ? 15.674 -14.033 13.602 1.00 10.68 ? ? ? ? ? ? 45 LYS B C 1 -ATOM 1350 O O . LYS B 1 45 ? 15.874 -13.253 12.677 1.00 13.93 ? ? ? ? ? ? 45 LYS B O 1 -ATOM 1351 C CB . LYS B 1 45 ? 16.948 -13.268 15.700 1.00 2.27 ? ? ? ? ? ? 45 LYS B CB 1 -ATOM 1352 C CG . LYS B 1 45 ? 16.151 -13.533 16.934 1.00 10.10 ? ? ? ? ? ? 45 LYS B CG 1 -ATOM 1353 C CD . LYS B 1 45 ? 15.901 -12.228 17.660 1.00 13.52 ? ? ? ? ? ? 45 LYS B CD 1 -ATOM 1354 C CE . LYS B 1 45 ? 14.845 -12.483 18.738 1.00 22.70 ? ? ? ? ? ? 45 LYS B CE 1 -ATOM 1355 N NZ . LYS B 1 45 ? 14.288 -11.214 19.244 1.00 24.26 ? ? ? ? ? ? 45 LYS B NZ 1 -ATOM 1356 H H . LYS B 1 45 ? 18.350 -13.597 13.327 1.00 15.00 ? ? ? ? ? ? 45 LYS B H 1 -ATOM 1357 H HZ1 . LYS B 1 45 ? 13.969 -10.630 18.445 1.00 15.00 ? ? ? ? ? ? 45 LYS B HZ1 1 -ATOM 1358 H HZ2 . LYS B 1 45 ? 13.480 -11.422 19.864 1.00 15.00 ? ? ? ? ? ? 45 LYS B HZ2 1 -ATOM 1359 H HZ3 . LYS B 1 45 ? 15.017 -10.705 19.784 1.00 15.00 ? ? ? ? ? ? 45 LYS B HZ3 1 -ATOM 1360 N N . MET B 1 46 ? 14.490 -14.663 13.752 1.00 15.78 ? ? ? ? ? ? 46 MET B N 1 -ATOM 1361 C CA . MET B 1 46 ? 13.281 -14.132 13.037 1.00 13.78 ? ? ? ? ? ? 46 MET B CA 1 -ATOM 1362 C C . MET B 1 46 ? 12.336 -13.203 13.877 1.00 11.68 ? ? ? ? ? ? 46 MET B C 1 -ATOM 1363 O O . MET B 1 46 ? 11.738 -13.624 14.856 1.00 11.56 ? ? ? ? ? ? 46 MET B O 1 -ATOM 1364 C CB . MET B 1 46 ? 12.405 -15.249 12.457 1.00 7.23 ? ? ? ? ? ? 46 MET B CB 1 -ATOM 1365 C CG . MET B 1 46 ? 13.121 -16.153 11.481 1.00 10.18 ? ? ? ? ? ? 46 MET B CG 1 -ATOM 1366 S SD . MET B 1 46 ? 13.485 -15.302 9.972 1.00 15.69 ? ? ? ? ? ? 46 MET B SD 1 -ATOM 1367 C CE . MET B 1 46 ? 11.863 -15.290 9.206 1.00 8.69 ? ? ? ? ? ? 46 MET B CE 1 -ATOM 1368 H H . MET B 1 46 ? 14.423 -15.366 14.457 1.00 15.00 ? ? ? ? ? ? 46 MET B H 1 -ATOM 1369 N N . ILE B 1 47 ? 12.207 -11.923 13.471 1.00 11.05 ? ? ? ? ? ? 47 ILE B N 1 -ATOM 1370 C CA . ILE B 1 47 ? 11.224 -11.056 14.153 1.00 8.18 ? ? ? ? ? ? 47 ILE B CA 1 -ATOM 1371 C C . ILE B 1 47 ? 10.063 -10.567 13.256 1.00 6.17 ? ? ? ? ? ? 47 ILE B C 1 -ATOM 1372 O O . ILE B 1 47 ? 10.203 -10.268 12.071 1.00 4.21 ? ? ? ? ? ? 47 ILE B O 1 -ATOM 1373 C CB . ILE B 1 47 ? 11.868 -9.870 14.915 1.00 6.47 ? ? ? ? ? ? 47 ILE B CB 1 -ATOM 1374 C CG1 . ILE B 1 47 ? 12.676 -8.934 14.035 1.00 8.49 ? ? ? ? ? ? 47 ILE B CG1 1 -ATOM 1375 C CG2 . ILE B 1 47 ? 12.748 -10.294 16.084 1.00 2.00 ? ? ? ? ? ? 47 ILE B CG2 1 -ATOM 1376 C CD1 . ILE B 1 47 ? 12.795 -7.565 14.730 1.00 7.40 ? ? ? ? ? ? 47 ILE B CD1 1 -ATOM 1377 H H . ILE B 1 47 ? 12.692 -11.654 12.636 1.00 15.00 ? ? ? ? ? ? 47 ILE B H 1 -ATOM 1378 N N . GLY B 1 48 ? 8.867 -10.542 13.860 1.00 7.20 ? ? ? ? ? ? 48 GLY B N 1 -ATOM 1379 C CA . GLY B 1 48 ? 7.681 -10.220 13.032 1.00 8.57 ? ? ? ? ? ? 48 GLY B CA 1 -ATOM 1380 C C . GLY B 1 48 ? 6.758 -9.082 13.466 1.00 9.75 ? ? ? ? ? ? 48 GLY B C 1 -ATOM 1381 O O . GLY B 1 48 ? 6.748 -8.612 14.598 1.00 8.98 ? ? ? ? ? ? 48 GLY B O 1 -ATOM 1382 H H . GLY B 1 48 ? 8.821 -10.741 14.834 1.00 15.00 ? ? ? ? ? ? 48 GLY B H 1 -ATOM 1383 N N . GLY B 1 49 ? 5.941 -8.656 12.514 1.00 13.64 ? ? ? ? ? ? 49 GLY B N 1 -ATOM 1384 C CA . GLY B 1 49 ? 4.937 -7.642 12.885 1.00 12.84 ? ? ? ? ? ? 49 GLY B CA 1 -ATOM 1385 C C . GLY B 1 49 ? 4.027 -7.270 11.734 1.00 15.22 ? ? ? ? ? ? 49 GLY B C 1 -ATOM 1386 O O . GLY B 1 49 ? 3.748 -8.129 10.915 1.00 18.27 ? ? ? ? ? ? 49 GLY B O 1 -ATOM 1387 H H . GLY B 1 49 ? 5.989 -9.057 11.606 1.00 15.00 ? ? ? ? ? ? 49 GLY B H 1 -ATOM 1388 N N . ILE B 1 50 ? 3.573 -6.002 11.639 1.00 13.68 ? ? ? ? ? ? 50 ILE B N 1 -ATOM 1389 C CA . ILE B 1 50 ? 2.706 -5.646 10.491 1.00 11.58 ? ? ? ? ? ? 50 ILE B CA 1 -ATOM 1390 C C . ILE B 1 50 ? 3.278 -6.090 9.113 1.00 13.86 ? ? ? ? ? ? 50 ILE B C 1 -ATOM 1391 O O . ILE B 1 50 ? 4.400 -5.782 8.730 1.00 20.94 ? ? ? ? ? ? 50 ILE B O 1 -ATOM 1392 C CB . ILE B 1 50 ? 2.409 -4.126 10.524 1.00 10.42 ? ? ? ? ? ? 50 ILE B CB 1 -ATOM 1393 C CG1 . ILE B 1 50 ? 1.846 -3.670 11.872 1.00 7.91 ? ? ? ? ? ? 50 ILE B CG1 1 -ATOM 1394 C CG2 . ILE B 1 50 ? 1.502 -3.590 9.395 1.00 2.54 ? ? ? ? ? ? 50 ILE B CG2 1 -ATOM 1395 C CD1 . ILE B 1 50 ? 0.604 -4.431 12.287 1.00 8.46 ? ? ? ? ? ? 50 ILE B CD1 1 -ATOM 1396 H H . ILE B 1 50 ? 3.886 -5.334 12.323 1.00 15.00 ? ? ? ? ? ? 50 ILE B H 1 -ATOM 1397 N N . GLY B 1 51 ? 2.506 -6.887 8.376 1.00 12.85 ? ? ? ? ? ? 51 GLY B N 1 -ATOM 1398 C CA . GLY B 1 51 ? 3.070 -7.232 7.062 1.00 11.85 ? ? ? ? ? ? 51 GLY B CA 1 -ATOM 1399 C C . GLY B 1 51 ? 3.804 -8.561 7.004 1.00 11.64 ? ? ? ? ? ? 51 GLY B C 1 -ATOM 1400 O O . GLY B 1 51 ? 3.910 -9.207 5.975 1.00 13.97 ? ? ? ? ? ? 51 GLY B O 1 -ATOM 1401 H H . GLY B 1 51 ? 1.636 -7.226 8.725 1.00 15.00 ? ? ? ? ? ? 51 GLY B H 1 -ATOM 1402 N N . GLY B 1 52 ? 4.281 -8.956 8.192 1.00 10.16 ? ? ? ? ? ? 52 GLY B N 1 -ATOM 1403 C CA . GLY B 1 52 ? 5.063 -10.188 8.325 1.00 8.77 ? ? ? ? ? ? 52 GLY B CA 1 -ATOM 1404 C C . GLY B 1 52 ? 6.412 -10.082 9.085 1.00 10.56 ? ? ? ? ? ? 52 GLY B C 1 -ATOM 1405 O O . GLY B 1 52 ? 6.637 -9.230 9.933 1.00 11.23 ? ? ? ? ? ? 52 GLY B O 1 -ATOM 1406 H H . GLY B 1 52 ? 4.104 -8.383 8.992 1.00 15.00 ? ? ? ? ? ? 52 GLY B H 1 -ATOM 1407 N N . PHE B 1 53 ? 7.281 -11.045 8.747 1.00 11.07 ? ? ? ? ? ? 53 PHE B N 1 -ATOM 1408 C CA . PHE B 1 53 ? 8.617 -11.307 9.317 1.00 11.70 ? ? ? ? ? ? 53 PHE B CA 1 -ATOM 1409 C C . PHE B 1 53 ? 9.829 -10.842 8.488 1.00 15.80 ? ? ? ? ? ? 53 PHE B C 1 -ATOM 1410 O O . PHE B 1 53 ? 9.897 -11.013 7.274 1.00 18.07 ? ? ? ? ? ? 53 PHE B O 1 -ATOM 1411 C CB . PHE B 1 53 ? 8.808 -12.806 9.572 1.00 4.31 ? ? ? ? ? ? 53 PHE B CB 1 -ATOM 1412 C CG . PHE B 1 53 ? 8.086 -13.211 10.823 1.00 4.87 ? ? ? ? ? ? 53 PHE B CG 1 -ATOM 1413 C CD1 . PHE B 1 53 ? 6.707 -13.481 10.761 1.00 6.81 ? ? ? ? ? ? 53 PHE B CD1 1 -ATOM 1414 C CD2 . PHE B 1 53 ? 8.807 -13.338 12.023 1.00 2.00 ? ? ? ? ? ? 53 PHE B CD2 1 -ATOM 1415 C CE1 . PHE B 1 53 ? 6.043 -13.950 11.908 1.00 10.37 ? ? ? ? ? ? 53 PHE B CE1 1 -ATOM 1416 C CE2 . PHE B 1 53 ? 8.152 -13.838 13.157 1.00 4.35 ? ? ? ? ? ? 53 PHE B CE2 1 -ATOM 1417 C CZ . PHE B 1 53 ? 6.780 -14.160 13.088 1.00 4.36 ? ? ? ? ? ? 53 PHE B CZ 1 -ATOM 1418 H H . PHE B 1 53 ? 6.973 -11.592 7.970 1.00 15.00 ? ? ? ? ? ? 53 PHE B H 1 -ATOM 1419 N N . ILE B 1 54 ? 10.807 -10.278 9.234 1.00 16.52 ? ? ? ? ? ? 54 ILE B N 1 -ATOM 1420 C CA . ILE B 1 54 ? 12.170 -10.098 8.704 1.00 10.33 ? ? ? ? ? ? 54 ILE B CA 1 -ATOM 1421 C C . ILE B 1 54 ? 13.260 -10.938 9.408 1.00 9.77 ? ? ? ? ? ? 54 ILE B C 1 -ATOM 1422 O O . ILE B 1 54 ? 13.132 -11.362 10.558 1.00 7.99 ? ? ? ? ? ? 54 ILE B O 1 -ATOM 1423 C CB . ILE B 1 54 ? 12.572 -8.613 8.634 1.00 6.25 ? ? ? ? ? ? 54 ILE B CB 1 -ATOM 1424 C CG1 . ILE B 1 54 ? 12.653 -7.928 10.004 1.00 9.81 ? ? ? ? ? ? 54 ILE B CG1 1 -ATOM 1425 C CG2 . ILE B 1 54 ? 11.639 -7.857 7.703 1.00 2.00 ? ? ? ? ? ? 54 ILE B CG2 1 -ATOM 1426 C CD1 . ILE B 1 54 ? 13.384 -6.579 9.991 1.00 2.88 ? ? ? ? ? ? 54 ILE B CD1 1 -ATOM 1427 H H . ILE B 1 54 ? 10.591 -10.082 10.192 1.00 15.00 ? ? ? ? ? ? 54 ILE B H 1 -ATOM 1428 N N . LYS B 1 55 ? 14.367 -11.147 8.652 1.00 10.99 ? ? ? ? ? ? 55 LYS B N 1 -ATOM 1429 C CA . LYS B 1 55 ? 15.595 -11.645 9.329 1.00 10.11 ? ? ? ? ? ? 55 LYS B CA 1 -ATOM 1430 C C . LYS B 1 55 ? 16.630 -10.591 9.723 1.00 5.92 ? ? ? ? ? ? 55 LYS B C 1 -ATOM 1431 O O . LYS B 1 55 ? 16.878 -9.611 9.044 1.00 6.28 ? ? ? ? ? ? 55 LYS B O 1 -ATOM 1432 C CB . LYS B 1 55 ? 16.267 -12.792 8.562 1.00 12.08 ? ? ? ? ? ? 55 LYS B CB 1 -ATOM 1433 C CG . LYS B 1 55 ? 17.209 -13.621 9.428 1.00 18.95 ? ? ? ? ? ? 55 LYS B CG 1 -ATOM 1434 C CD . LYS B 1 55 ? 17.995 -14.639 8.595 1.00 26.21 ? ? ? ? ? ? 55 LYS B CD 1 -ATOM 1435 C CE . LYS B 1 55 ? 19.344 -14.978 9.238 1.00 30.94 ? ? ? ? ? ? 55 LYS B CE 1 -ATOM 1436 N NZ . LYS B 1 55 ? 20.154 -15.900 8.409 1.00 35.50 ? ? ? ? ? ? 55 LYS B NZ 1 -ATOM 1437 H H . LYS B 1 55 ? 14.363 -10.794 7.720 1.00 15.00 ? ? ? ? ? ? 55 LYS B H 1 -ATOM 1438 H HZ1 . LYS B 1 55 ? 19.567 -16.713 8.131 1.00 15.00 ? ? ? ? ? ? 55 LYS B HZ1 1 -ATOM 1439 H HZ2 . LYS B 1 55 ? 20.484 -15.400 7.560 1.00 15.00 ? ? ? ? ? ? 55 LYS B HZ2 1 -ATOM 1440 H HZ3 . LYS B 1 55 ? 20.969 -16.233 8.962 1.00 15.00 ? ? ? ? ? ? 55 LYS B HZ3 1 -ATOM 1441 N N . VAL B 1 56 ? 17.170 -10.858 10.902 1.00 8.08 ? ? ? ? ? ? 56 VAL B N 1 -ATOM 1442 C CA . VAL B 1 56 ? 17.925 -9.967 11.800 1.00 8.36 ? ? ? ? ? ? 56 VAL B CA 1 -ATOM 1443 C C . VAL B 1 56 ? 19.180 -10.675 12.405 1.00 9.26 ? ? ? ? ? ? 56 VAL B C 1 -ATOM 1444 O O . VAL B 1 56 ? 19.237 -11.905 12.504 1.00 10.25 ? ? ? ? ? ? 56 VAL B O 1 -ATOM 1445 C CB . VAL B 1 56 ? 16.825 -9.604 12.832 1.00 11.67 ? ? ? ? ? ? 56 VAL B CB 1 -ATOM 1446 C CG1 . VAL B 1 56 ? 17.084 -9.976 14.294 1.00 12.60 ? ? ? ? ? ? 56 VAL B CG1 1 -ATOM 1447 C CG2 . VAL B 1 56 ? 16.255 -8.214 12.568 1.00 14.41 ? ? ? ? ? ? 56 VAL B CG2 1 -ATOM 1448 H H . VAL B 1 56 ? 16.866 -11.733 11.281 1.00 15.00 ? ? ? ? ? ? 56 VAL B H 1 -ATOM 1449 N N . ARG B 1 57 ? 20.168 -9.866 12.832 1.00 8.70 ? ? ? ? ? ? 57 ARG B N 1 -ATOM 1450 C CA . ARG B 1 57 ? 21.337 -10.349 13.610 1.00 10.33 ? ? ? ? ? ? 57 ARG B CA 1 -ATOM 1451 C C . ARG B 1 57 ? 21.395 -9.718 14.992 1.00 10.16 ? ? ? ? ? ? 57 ARG B C 1 -ATOM 1452 O O . ARG B 1 57 ? 21.362 -8.504 15.149 1.00 9.24 ? ? ? ? ? ? 57 ARG B O 1 -ATOM 1453 C CB . ARG B 1 57 ? 22.727 -10.090 12.937 1.00 8.35 ? ? ? ? ? ? 57 ARG B CB 1 -ATOM 1454 C CG . ARG B 1 57 ? 22.713 -10.404 11.425 1.00 13.65 ? ? ? ? ? ? 57 ARG B CG 1 -ATOM 1455 C CD . ARG B 1 57 ? 24.024 -10.465 10.619 1.00 11.84 ? ? ? ? ? ? 57 ARG B CD 1 -ATOM 1456 N NE . ARG B 1 57 ? 24.804 -9.225 10.674 1.00 16.18 ? ? ? ? ? ? 57 ARG B NE 1 -ATOM 1457 C CZ . ARG B 1 57 ? 24.649 -8.242 9.749 1.00 22.99 ? ? ? ? ? ? 57 ARG B CZ 1 -ATOM 1458 N NH1 . ARG B 1 57 ? 23.787 -8.366 8.737 1.00 24.07 ? ? ? ? ? ? 57 ARG B NH1 1 -ATOM 1459 N NH2 . ARG B 1 57 ? 25.371 -7.121 9.840 1.00 19.42 ? ? ? ? ? ? 57 ARG B NH2 1 -ATOM 1460 H H . ARG B 1 57 ? 20.044 -8.904 12.610 1.00 15.00 ? ? ? ? ? ? 57 ARG B H 1 -ATOM 1461 H HE . ARG B 1 57 ? 25.451 -9.064 11.420 1.00 15.00 ? ? ? ? ? ? 57 ARG B HE 1 -ATOM 1462 H HH11 . ARG B 1 57 ? 23.234 -9.194 8.644 1.00 15.00 ? ? ? ? ? ? 57 ARG B HH11 1 -ATOM 1463 H HH12 . ARG B 1 57 ? 23.691 -7.628 8.068 1.00 15.00 ? ? ? ? ? ? 57 ARG B HH12 1 -ATOM 1464 H HH21 . ARG B 1 57 ? 26.017 -7.011 10.597 1.00 15.00 ? ? ? ? ? ? 57 ARG B HH21 1 -ATOM 1465 H HH22 . ARG B 1 57 ? 25.270 -6.397 9.158 1.00 15.00 ? ? ? ? ? ? 57 ARG B HH22 1 -ATOM 1466 N N . GLN B 1 58 ? 21.486 -10.570 15.988 1.00 7.03 ? ? ? ? ? ? 58 GLN B N 1 -ATOM 1467 C CA . GLN B 1 58 ? 21.592 -10.082 17.357 1.00 10.22 ? ? ? ? ? ? 58 GLN B CA 1 -ATOM 1468 C C . GLN B 1 58 ? 22.996 -9.771 17.916 1.00 13.31 ? ? ? ? ? ? 58 GLN B C 1 -ATOM 1469 O O . GLN B 1 58 ? 23.802 -10.678 18.113 1.00 16.89 ? ? ? ? ? ? 58 GLN B O 1 -ATOM 1470 C CB . GLN B 1 58 ? 20.886 -11.120 18.237 1.00 12.64 ? ? ? ? ? ? 58 GLN B CB 1 -ATOM 1471 C CG . GLN B 1 58 ? 21.070 -10.886 19.729 1.00 17.77 ? ? ? ? ? ? 58 GLN B CG 1 -ATOM 1472 C CD . GLN B 1 58 ? 20.058 -11.736 20.440 1.00 25.70 ? ? ? ? ? ? 58 GLN B CD 1 -ATOM 1473 O OE1 . GLN B 1 58 ? 19.913 -12.907 20.192 1.00 33.64 ? ? ? ? ? ? 58 GLN B OE1 1 -ATOM 1474 N NE2 . GLN B 1 58 ? 19.283 -11.126 21.315 1.00 30.17 ? ? ? ? ? ? 58 GLN B NE2 1 -ATOM 1475 H H . GLN B 1 58 ? 21.408 -11.533 15.773 1.00 15.00 ? ? ? ? ? ? 58 GLN B H 1 -ATOM 1476 H HE21 . GLN B 1 58 ? 18.621 -11.771 21.684 1.00 15.00 ? ? ? ? ? ? 58 GLN B HE21 1 -ATOM 1477 H HE22 . GLN B 1 58 ? 19.338 -10.167 21.559 1.00 15.00 ? ? ? ? ? ? 58 GLN B HE22 1 -ATOM 1478 N N . TYR B 1 59 ? 23.236 -8.475 18.241 1.00 11.16 ? ? ? ? ? ? 59 TYR B N 1 -ATOM 1479 C CA . TYR B 1 59 ? 24.436 -8.173 19.042 1.00 7.33 ? ? ? ? ? ? 59 TYR B CA 1 -ATOM 1480 C C . TYR B 1 59 ? 24.160 -7.804 20.484 1.00 7.47 ? ? ? ? ? ? 59 TYR B C 1 -ATOM 1481 O O . TYR B 1 59 ? 23.241 -7.060 20.840 1.00 10.58 ? ? ? ? ? ? 59 TYR B O 1 -ATOM 1482 C CB . TYR B 1 59 ? 25.371 -7.105 18.436 1.00 4.61 ? ? ? ? ? ? 59 TYR B CB 1 -ATOM 1483 C CG . TYR B 1 59 ? 25.778 -7.327 16.992 1.00 2.00 ? ? ? ? ? ? 59 TYR B CG 1 -ATOM 1484 C CD1 . TYR B 1 59 ? 24.840 -7.147 15.954 1.00 3.44 ? ? ? ? ? ? 59 TYR B CD1 1 -ATOM 1485 C CD2 . TYR B 1 59 ? 27.113 -7.657 16.698 1.00 2.40 ? ? ? ? ? ? 59 TYR B CD2 1 -ATOM 1486 C CE1 . TYR B 1 59 ? 25.261 -7.249 14.608 1.00 7.27 ? ? ? ? ? ? 59 TYR B CE1 1 -ATOM 1487 C CE2 . TYR B 1 59 ? 27.540 -7.767 15.353 1.00 2.54 ? ? ? ? ? ? 59 TYR B CE2 1 -ATOM 1488 C CZ . TYR B 1 59 ? 26.618 -7.530 14.311 1.00 7.43 ? ? ? ? ? ? 59 TYR B CZ 1 -ATOM 1489 O OH . TYR B 1 59 ? 27.042 -7.529 12.985 1.00 11.55 ? ? ? ? ? ? 59 TYR B OH 1 -ATOM 1490 H H . TYR B 1 59 ? 22.548 -7.789 17.999 1.00 15.00 ? ? ? ? ? ? 59 TYR B H 1 -ATOM 1491 H HH . TYR B 1 59 ? 27.983 -7.657 12.954 1.00 15.00 ? ? ? ? ? ? 59 TYR B HH 1 -ATOM 1492 N N . ASP B 1 60 ? 25.010 -8.383 21.321 1.00 5.52 ? ? ? ? ? ? 60 ASP B N 1 -ATOM 1493 C CA . ASP B 1 60 ? 24.952 -8.043 22.752 1.00 11.07 ? ? ? ? ? ? 60 ASP B CA 1 -ATOM 1494 C C . ASP B 1 60 ? 25.991 -7.060 23.263 1.00 13.43 ? ? ? ? ? ? 60 ASP B C 1 -ATOM 1495 O O . ASP B 1 60 ? 27.047 -6.935 22.676 1.00 20.73 ? ? ? ? ? ? 60 ASP B O 1 -ATOM 1496 C CB . ASP B 1 60 ? 25.082 -9.282 23.617 1.00 15.28 ? ? ? ? ? ? 60 ASP B CB 1 -ATOM 1497 C CG . ASP B 1 60 ? 23.954 -10.241 23.296 1.00 18.44 ? ? ? ? ? ? 60 ASP B CG 1 -ATOM 1498 O OD1 . ASP B 1 60 ? 22.860 -9.744 23.015 1.00 16.85 ? ? ? ? ? ? 60 ASP B OD1 1 -ATOM 1499 O OD2 . ASP B 1 60 ? 24.181 -11.465 23.320 1.00 19.95 ? ? ? ? ? ? 60 ASP B OD2 1 -ATOM 1500 H H . ASP B 1 60 ? 25.741 -8.939 20.927 1.00 15.00 ? ? ? ? ? ? 60 ASP B H 1 -ATOM 1501 N N . GLN B 1 61 ? 25.680 -6.359 24.359 1.00 11.99 ? ? ? ? ? ? 61 GLN B N 1 -ATOM 1502 C CA . GLN B 1 61 ? 26.655 -5.387 24.929 1.00 14.03 ? ? ? ? ? ? 61 GLN B CA 1 -ATOM 1503 C C . GLN B 1 61 ? 27.100 -4.131 24.148 1.00 12.65 ? ? ? ? ? ? 61 GLN B C 1 -ATOM 1504 O O . GLN B 1 61 ? 28.092 -3.460 24.385 1.00 9.03 ? ? ? ? ? ? 61 GLN B O 1 -ATOM 1505 C CB . GLN B 1 61 ? 27.843 -6.114 25.593 1.00 24.34 ? ? ? ? ? ? 61 GLN B CB 1 -ATOM 1506 C CG . GLN B 1 61 ? 27.531 -6.962 26.835 1.00 35.39 ? ? ? ? ? ? 61 GLN B CG 1 -ATOM 1507 C CD . GLN B 1 61 ? 26.983 -6.063 27.946 1.00 47.74 ? ? ? ? ? ? 61 GLN B CD 1 -ATOM 1508 O OE1 . GLN B 1 61 ? 26.140 -5.195 27.786 1.00 51.02 ? ? ? ? ? ? 61 GLN B OE1 1 -ATOM 1509 N NE2 . GLN B 1 61 ? 27.471 -6.306 29.148 1.00 55.07 ? ? ? ? ? ? 61 GLN B NE2 1 -ATOM 1510 H H . GLN B 1 61 ? 24.795 -6.513 24.791 1.00 15.00 ? ? ? ? ? ? 61 GLN B H 1 -ATOM 1511 H HE21 . GLN B 1 61 ? 27.031 -5.678 29.788 1.00 15.00 ? ? ? ? ? ? 61 GLN B HE21 1 -ATOM 1512 H HE22 . GLN B 1 61 ? 28.160 -6.986 29.364 1.00 15.00 ? ? ? ? ? ? 61 GLN B HE22 1 -ATOM 1513 N N . ILE B 1 62 ? 26.251 -3.796 23.179 1.00 15.70 ? ? ? ? ? ? 62 ILE B N 1 -ATOM 1514 C CA . ILE B 1 62 ? 26.481 -2.555 22.443 1.00 12.03 ? ? ? ? ? ? 62 ILE B CA 1 -ATOM 1515 C C . ILE B 1 62 ? 26.180 -1.354 23.300 1.00 14.39 ? ? ? ? ? ? 62 ILE B C 1 -ATOM 1516 O O . ILE B 1 62 ? 25.092 -1.272 23.856 1.00 12.23 ? ? ? ? ? ? 62 ILE B O 1 -ATOM 1517 C CB . ILE B 1 62 ? 25.600 -2.457 21.182 1.00 5.49 ? ? ? ? ? ? 62 ILE B CB 1 -ATOM 1518 C CG1 . ILE B 1 62 ? 25.559 -3.776 20.432 1.00 5.59 ? ? ? ? ? ? 62 ILE B CG1 1 -ATOM 1519 C CG2 . ILE B 1 62 ? 26.128 -1.327 20.278 1.00 3.31 ? ? ? ? ? ? 62 ILE B CG2 1 -ATOM 1520 C CD1 . ILE B 1 62 ? 26.921 -4.324 19.958 1.00 7.41 ? ? ? ? ? ? 62 ILE B CD1 1 -ATOM 1521 H H . ILE B 1 62 ? 25.381 -4.278 23.102 1.00 15.00 ? ? ? ? ? ? 62 ILE B H 1 -ATOM 1522 N N . PRO B 1 63 ? 27.164 -0.428 23.385 1.00 15.61 ? ? ? ? ? ? 63 PRO B N 1 -ATOM 1523 C CA . PRO B 1 63 ? 26.906 0.898 23.941 1.00 13.48 ? ? ? ? ? ? 63 PRO B CA 1 -ATOM 1524 C C . PRO B 1 63 ? 26.293 1.795 22.909 1.00 13.82 ? ? ? ? ? ? 63 PRO B C 1 -ATOM 1525 O O . PRO B 1 63 ? 26.734 1.853 21.766 1.00 15.11 ? ? ? ? ? ? 63 PRO B O 1 -ATOM 1526 C CB . PRO B 1 63 ? 28.303 1.391 24.340 1.00 14.26 ? ? ? ? ? ? 63 PRO B CB 1 -ATOM 1527 C CG . PRO B 1 63 ? 29.197 0.154 24.279 1.00 19.67 ? ? ? ? ? ? 63 PRO B CG 1 -ATOM 1528 C CD . PRO B 1 63 ? 28.572 -0.618 23.111 1.00 19.48 ? ? ? ? ? ? 63 PRO B CD 1 -ATOM 1529 N N . VAL B 1 64 ? 25.233 2.488 23.357 1.00 14.77 ? ? ? ? ? ? 64 VAL B N 1 -ATOM 1530 C CA . VAL B 1 64 ? 24.634 3.508 22.485 1.00 13.40 ? ? ? ? ? ? 64 VAL B CA 1 -ATOM 1531 C C . VAL B 1 64 ? 24.339 4.803 23.230 1.00 15.46 ? ? ? ? ? ? 64 VAL B C 1 -ATOM 1532 O O . VAL B 1 64 ? 23.944 4.810 24.387 1.00 16.60 ? ? ? ? ? ? 64 VAL B O 1 -ATOM 1533 C CB . VAL B 1 64 ? 23.501 2.988 21.503 1.00 11.21 ? ? ? ? ? ? 64 VAL B CB 1 -ATOM 1534 C CG1 . VAL B 1 64 ? 22.926 1.611 21.779 1.00 3.55 ? ? ? ? ? ? 64 VAL B CG1 1 -ATOM 1535 C CG2 . VAL B 1 64 ? 22.439 4.014 21.112 1.00 8.00 ? ? ? ? ? ? 64 VAL B CG2 1 -ATOM 1536 H H . VAL B 1 64 ? 24.918 2.327 24.293 1.00 15.00 ? ? ? ? ? ? 64 VAL B H 1 -ATOM 1537 N N . GLU B 1 65 ? 24.606 5.911 22.539 1.00 16.43 ? ? ? ? ? ? 65 GLU B N 1 -ATOM 1538 C CA . GLU B 1 65 ? 24.175 7.152 23.161 1.00 18.66 ? ? ? ? ? ? 65 GLU B CA 1 -ATOM 1539 C C . GLU B 1 65 ? 22.979 7.838 22.511 1.00 19.98 ? ? ? ? ? ? 65 GLU B C 1 -ATOM 1540 O O . GLU B 1 65 ? 22.969 8.218 21.351 1.00 20.05 ? ? ? ? ? ? 65 GLU B O 1 -ATOM 1541 C CB . GLU B 1 65 ? 25.336 8.115 23.378 1.00 21.70 ? ? ? ? ? ? 65 GLU B CB 1 -ATOM 1542 C CG . GLU B 1 65 ? 24.919 9.208 24.341 1.00 29.65 ? ? ? ? ? ? 65 GLU B CG 1 -ATOM 1543 C CD . GLU B 1 65 ? 26.083 10.070 24.736 1.00 36.74 ? ? ? ? ? ? 65 GLU B CD 1 -ATOM 1544 O OE1 . GLU B 1 65 ? 26.320 11.055 24.038 1.00 38.38 ? ? ? ? ? ? 65 GLU B OE1 1 -ATOM 1545 O OE2 . GLU B 1 65 ? 26.723 9.772 25.754 1.00 42.36 ? ? ? ? ? ? 65 GLU B OE2 1 -ATOM 1546 H H . GLU B 1 65 ? 25.013 5.841 21.629 1.00 15.00 ? ? ? ? ? ? 65 GLU B H 1 -ATOM 1547 N N . ILE B 1 66 ? 21.940 7.962 23.333 1.00 18.67 ? ? ? ? ? ? 66 ILE B N 1 -ATOM 1548 C CA . ILE B 1 66 ? 20.655 8.450 22.838 1.00 21.20 ? ? ? ? ? ? 66 ILE B CA 1 -ATOM 1549 C C . ILE B 1 66 ? 20.204 9.728 23.515 1.00 22.01 ? ? ? ? ? ? 66 ILE B C 1 -ATOM 1550 O O . ILE B 1 66 ? 20.030 9.800 24.731 1.00 17.93 ? ? ? ? ? ? 66 ILE B O 1 -ATOM 1551 C CB . ILE B 1 66 ? 19.633 7.322 22.954 1.00 29.17 ? ? ? ? ? ? 66 ILE B CB 1 -ATOM 1552 C CG1 . ILE B 1 66 ? 18.184 7.765 22.953 1.00 29.67 ? ? ? ? ? ? 66 ILE B CG1 1 -ATOM 1553 C CG2 . ILE B 1 66 ? 19.883 6.414 24.176 1.00 36.07 ? ? ? ? ? ? 66 ILE B CG2 1 -ATOM 1554 C CD1 . ILE B 1 66 ? 17.378 6.470 22.919 1.00 37.39 ? ? ? ? ? ? 66 ILE B CD1 1 -ATOM 1555 H H . ILE B 1 66 ? 22.084 7.662 24.277 1.00 15.00 ? ? ? ? ? ? 66 ILE B H 1 -ATOM 1556 N N . CYS B 1 67 ? 20.130 10.773 22.653 1.00 21.67 ? ? ? ? ? ? 67 CYS B N 1 -ATOM 1557 C CA . CYS B 1 67 ? 19.868 12.129 23.183 1.00 24.86 ? ? ? ? ? ? 67 CYS B CA 1 -ATOM 1558 C C . CYS B 1 67 ? 20.683 12.628 24.398 1.00 27.18 ? ? ? ? ? ? 67 CYS B C 1 -ATOM 1559 O O . CYS B 1 67 ? 20.158 13.217 25.331 1.00 32.07 ? ? ? ? ? ? 67 CYS B O 1 -ATOM 1560 C CB . CYS B 1 67 ? 18.379 12.323 23.536 1.00 26.01 ? ? ? ? ? ? 67 CYS B CB 1 -ATOM 1561 S SG . CYS B 1 67 ? 17.441 13.262 22.312 1.00 31.34 ? ? ? ? ? ? 67 CYS B SG 1 -ATOM 1562 H H . CYS B 1 67 ? 20.189 10.569 21.672 1.00 15.00 ? ? ? ? ? ? 67 CYS B H 1 -ATOM 1563 N N . GLY B 1 68 ? 21.999 12.356 24.407 1.00 25.32 ? ? ? ? ? ? 68 GLY B N 1 -ATOM 1564 C CA . GLY B 1 68 ? 22.716 12.679 25.663 1.00 19.59 ? ? ? ? ? ? 68 GLY B CA 1 -ATOM 1565 C C . GLY B 1 68 ? 22.794 11.604 26.757 1.00 19.67 ? ? ? ? ? ? 68 GLY B C 1 -ATOM 1566 O O . GLY B 1 68 ? 23.457 11.726 27.772 1.00 20.47 ? ? ? ? ? ? 68 GLY B O 1 -ATOM 1567 H H . GLY B 1 68 ? 22.406 11.891 23.626 1.00 15.00 ? ? ? ? ? ? 68 GLY B H 1 -ATOM 1568 N N . HIS B 1 69 ? 22.110 10.491 26.512 1.00 19.22 ? ? ? ? ? ? 69 HIS B N 1 -ATOM 1569 C CA . HIS B 1 69 ? 22.143 9.499 27.575 1.00 21.19 ? ? ? ? ? ? 69 HIS B CA 1 -ATOM 1570 C C . HIS B 1 69 ? 22.852 8.196 27.168 1.00 23.33 ? ? ? ? ? ? 69 HIS B C 1 -ATOM 1571 O O . HIS B 1 69 ? 22.624 7.632 26.113 1.00 25.34 ? ? ? ? ? ? 69 HIS B O 1 -ATOM 1572 C CB . HIS B 1 69 ? 20.703 9.191 28.092 1.00 25.56 ? ? ? ? ? ? 69 HIS B CB 1 -ATOM 1573 C CG . HIS B 1 69 ? 19.843 10.386 28.515 1.00 28.62 ? ? ? ? ? ? 69 HIS B CG 1 -ATOM 1574 N ND1 . HIS B 1 69 ? 19.325 10.554 29.754 1.00 28.41 ? ? ? ? ? ? 69 HIS B ND1 1 -ATOM 1575 C CD2 . HIS B 1 69 ? 19.453 11.490 27.750 1.00 30.83 ? ? ? ? ? ? 69 HIS B CD2 1 -ATOM 1576 C CE1 . HIS B 1 69 ? 18.641 11.738 29.777 1.00 30.39 ? ? ? ? ? ? 69 HIS B CE1 1 -ATOM 1577 N NE2 . HIS B 1 69 ? 18.726 12.315 28.538 1.00 33.59 ? ? ? ? ? ? 69 HIS B NE2 1 -ATOM 1578 H H . HIS B 1 69 ? 21.463 10.446 25.757 1.00 15.00 ? ? ? ? ? ? 69 HIS B H 1 -ATOM 1579 H HD1 . HIS B 1 69 ? 19.357 9.932 30.504 1.00 15.00 ? ? ? ? ? ? 69 HIS B HD1 1 -ATOM 1580 N N . LYS B 1 70 ? 23.683 7.692 28.070 1.00 26.10 ? ? ? ? ? ? 70 LYS B N 1 -ATOM 1581 C CA . LYS B 1 70 ? 24.147 6.296 27.941 1.00 26.44 ? ? ? ? ? ? 70 LYS B CA 1 -ATOM 1582 C C . LYS B 1 70 ? 23.153 5.138 28.154 1.00 24.20 ? ? ? ? ? ? 70 LYS B C 1 -ATOM 1583 O O . LYS B 1 70 ? 22.630 4.904 29.238 1.00 22.46 ? ? ? ? ? ? 70 LYS B O 1 -ATOM 1584 C CB . LYS B 1 70 ? 25.305 5.947 28.897 1.00 32.97 ? ? ? ? ? ? 70 LYS B CB 1 -ATOM 1585 C CG . LYS B 1 70 ? 25.920 7.049 29.766 1.00 45.39 ? ? ? ? ? ? 70 LYS B CG 1 -ATOM 1586 C CD . LYS B 1 70 ? 27.070 7.863 29.144 1.00 55.83 ? ? ? ? ? ? 70 LYS B CD 1 -ATOM 1587 C CE . LYS B 1 70 ? 27.628 8.851 30.192 1.00 61.60 ? ? ? ? ? ? 70 LYS B CE 1 -ATOM 1588 N NZ . LYS B 1 70 ? 29.049 9.144 29.936 1.00 66.82 ? ? ? ? ? ? 70 LYS B NZ 1 -ATOM 1589 H H . LYS B 1 70 ? 23.780 8.222 28.908 1.00 15.00 ? ? ? ? ? ? 70 LYS B H 1 -ATOM 1590 H HZ1 . LYS B 1 70 ? 29.401 8.506 29.193 1.00 15.00 ? ? ? ? ? ? 70 LYS B HZ1 1 -ATOM 1591 H HZ2 . LYS B 1 70 ? 29.168 10.130 29.630 1.00 15.00 ? ? ? ? ? ? 70 LYS B HZ2 1 -ATOM 1592 H HZ3 . LYS B 1 70 ? 29.597 8.979 30.806 1.00 15.00 ? ? ? ? ? ? 70 LYS B HZ3 1 -ATOM 1593 N N . ALA B 1 71 ? 23.009 4.349 27.090 1.00 21.63 ? ? ? ? ? ? 71 ALA B N 1 -ATOM 1594 C CA . ALA B 1 71 ? 22.576 2.978 27.368 1.00 18.01 ? ? ? ? ? ? 71 ALA B CA 1 -ATOM 1595 C C . ALA B 1 71 ? 23.596 1.930 26.894 1.00 16.20 ? ? ? ? ? ? 71 ALA B C 1 -ATOM 1596 O O . ALA B 1 71 ? 24.524 2.199 26.131 1.00 17.84 ? ? ? ? ? ? 71 ALA B O 1 -ATOM 1597 C CB . ALA B 1 71 ? 21.223 2.724 26.702 1.00 15.87 ? ? ? ? ? ? 71 ALA B CB 1 -ATOM 1598 H H . ALA B 1 71 ? 23.336 4.643 26.191 1.00 15.00 ? ? ? ? ? ? 71 ALA B H 1 -ATOM 1599 N N . ILE B 1 72 ? 23.382 0.708 27.363 1.00 13.59 ? ? ? ? ? ? 72 ILE B N 1 -ATOM 1600 C CA . ILE B 1 72 ? 24.104 -0.478 26.873 1.00 15.46 ? ? ? ? ? ? 72 ILE B CA 1 -ATOM 1601 C C . ILE B 1 72 ? 23.229 -1.722 26.797 1.00 13.71 ? ? ? ? ? ? 72 ILE B C 1 -ATOM 1602 O O . ILE B 1 72 ? 22.621 -2.213 27.750 1.00 16.33 ? ? ? ? ? ? 72 ILE B O 1 -ATOM 1603 C CB . ILE B 1 72 ? 25.348 -0.855 27.715 1.00 20.10 ? ? ? ? ? ? 72 ILE B CB 1 -ATOM 1604 C CG1 . ILE B 1 72 ? 26.167 0.377 28.088 1.00 26.26 ? ? ? ? ? ? 72 ILE B CG1 1 -ATOM 1605 C CG2 . ILE B 1 72 ? 26.252 -1.857 26.968 1.00 20.07 ? ? ? ? ? ? 72 ILE B CG2 1 -ATOM 1606 C CD1 . ILE B 1 72 ? 27.266 0.065 29.097 1.00 32.25 ? ? ? ? ? ? 72 ILE B CD1 1 -ATOM 1607 H H . ILE B 1 72 ? 22.708 0.658 28.101 1.00 15.00 ? ? ? ? ? ? 72 ILE B H 1 -ATOM 1608 N N . GLY B 1 73 ? 23.201 -2.239 25.596 1.00 11.67 ? ? ? ? ? ? 73 GLY B N 1 -ATOM 1609 C CA . GLY B 1 73 ? 22.655 -3.574 25.482 1.00 8.87 ? ? ? ? ? ? 73 GLY B CA 1 -ATOM 1610 C C . GLY B 1 73 ? 22.522 -4.085 24.067 1.00 6.58 ? ? ? ? ? ? 73 GLY B C 1 -ATOM 1611 O O . GLY B 1 73 ? 23.303 -3.787 23.177 1.00 5.20 ? ? ? ? ? ? 73 GLY B O 1 -ATOM 1612 H H . GLY B 1 73 ? 23.670 -1.766 24.857 1.00 15.00 ? ? ? ? ? ? 73 GLY B H 1 -ATOM 1613 N N . THR B 1 74 ? 21.478 -4.898 23.926 1.00 6.84 ? ? ? ? ? ? 74 THR B N 1 -ATOM 1614 C CA . THR B 1 74 ? 21.186 -5.594 22.663 1.00 11.08 ? ? ? ? ? ? 74 THR B CA 1 -ATOM 1615 C C . THR B 1 74 ? 20.493 -4.851 21.500 1.00 14.36 ? ? ? ? ? ? 74 THR B C 1 -ATOM 1616 O O . THR B 1 74 ? 19.344 -4.398 21.562 1.00 14.96 ? ? ? ? ? ? 74 THR B O 1 -ATOM 1617 C CB . THR B 1 74 ? 20.471 -6.889 23.036 1.00 8.01 ? ? ? ? ? ? 74 THR B CB 1 -ATOM 1618 O OG1 . THR B 1 74 ? 21.331 -7.561 23.970 1.00 8.78 ? ? ? ? ? ? 74 THR B OG1 1 -ATOM 1619 C CG2 . THR B 1 74 ? 20.123 -7.812 21.873 1.00 3.87 ? ? ? ? ? ? 74 THR B CG2 1 -ATOM 1620 H H . THR B 1 74 ? 20.903 -5.031 24.731 1.00 15.00 ? ? ? ? ? ? 74 THR B H 1 -ATOM 1621 H HG1 . THR B 1 74 ? 22.051 -7.890 23.448 1.00 15.00 ? ? ? ? ? ? 74 THR B HG1 1 -ATOM 1622 N N . VAL B 1 75 ? 21.280 -4.770 20.393 1.00 14.46 ? ? ? ? ? ? 75 VAL B N 1 -ATOM 1623 C CA . VAL B 1 75 ? 20.635 -4.294 19.154 1.00 10.05 ? ? ? ? ? ? 75 VAL B CA 1 -ATOM 1624 C C . VAL B 1 75 ? 20.396 -5.411 18.134 1.00 11.79 ? ? ? ? ? ? 75 VAL B C 1 -ATOM 1625 O O . VAL B 1 75 ? 21.175 -6.357 18.057 1.00 16.56 ? ? ? ? ? ? 75 VAL B O 1 -ATOM 1626 C CB . VAL B 1 75 ? 21.386 -3.109 18.544 1.00 5.97 ? ? ? ? ? ? 75 VAL B CB 1 -ATOM 1627 C CG1 . VAL B 1 75 ? 21.650 -2.004 19.576 1.00 2.00 ? ? ? ? ? ? 75 VAL B CG1 1 -ATOM 1628 C CG2 . VAL B 1 75 ? 22.664 -3.549 17.855 1.00 7.87 ? ? ? ? ? ? 75 VAL B CG2 1 -ATOM 1629 H H . VAL B 1 75 ? 22.195 -5.175 20.425 1.00 15.00 ? ? ? ? ? ? 75 VAL B H 1 -ATOM 1630 N N . LEU B 1 76 ? 19.274 -5.301 17.401 1.00 6.91 ? ? ? ? ? ? 76 LEU B N 1 -ATOM 1631 C CA . LEU B 1 76 ? 19.017 -6.238 16.306 1.00 3.96 ? ? ? ? ? ? 76 LEU B CA 1 -ATOM 1632 C C . LEU B 1 76 ? 19.276 -5.547 14.995 1.00 5.63 ? ? ? ? ? ? 76 LEU B C 1 -ATOM 1633 O O . LEU B 1 76 ? 18.674 -4.505 14.789 1.00 6.81 ? ? ? ? ? ? 76 LEU B O 1 -ATOM 1634 C CB . LEU B 1 76 ? 17.553 -6.658 16.291 1.00 5.49 ? ? ? ? ? ? 76 LEU B CB 1 -ATOM 1635 C CG . LEU B 1 76 ? 17.041 -7.743 17.238 1.00 6.70 ? ? ? ? ? ? 76 LEU B CG 1 -ATOM 1636 C CD1 . LEU B 1 76 ? 17.919 -8.081 18.439 1.00 9.14 ? ? ? ? ? ? 76 LEU B CD1 1 -ATOM 1637 C CD2 . LEU B 1 76 ? 15.677 -7.341 17.731 1.00 3.57 ? ? ? ? ? ? 76 LEU B CD2 1 -ATOM 1638 H H . LEU B 1 76 ? 18.652 -4.536 17.575 1.00 15.00 ? ? ? ? ? ? 76 LEU B H 1 -ATOM 1639 N N . VAL B 1 77 ? 20.185 -6.095 14.140 1.00 9.13 ? ? ? ? ? ? 77 VAL B N 1 -ATOM 1640 C CA . VAL B 1 77 ? 20.380 -5.444 12.823 1.00 5.95 ? ? ? ? ? ? 77 VAL B CA 1 -ATOM 1641 C C . VAL B 1 77 ? 19.859 -6.220 11.609 1.00 8.66 ? ? ? ? ? ? 77 VAL B C 1 -ATOM 1642 O O . VAL B 1 77 ? 19.810 -7.436 11.611 1.00 12.59 ? ? ? ? ? ? 77 VAL B O 1 -ATOM 1643 C CB . VAL B 1 77 ? 21.782 -4.796 12.651 1.00 7.05 ? ? ? ? ? ? 77 VAL B CB 1 -ATOM 1644 C CG1 . VAL B 1 77 ? 22.481 -4.562 14.004 1.00 6.71 ? ? ? ? ? ? 77 VAL B CG1 1 -ATOM 1645 C CG2 . VAL B 1 77 ? 22.699 -5.406 11.601 1.00 4.38 ? ? ? ? ? ? 77 VAL B CG2 1 -ATOM 1646 H H . VAL B 1 77 ? 20.697 -6.896 14.446 1.00 15.00 ? ? ? ? ? ? 77 VAL B H 1 -ATOM 1647 N N . GLY B 1 78 ? 19.381 -5.499 10.595 1.00 8.15 ? ? ? ? ? ? 78 GLY B N 1 -ATOM 1648 C CA . GLY B 1 78 ? 18.603 -6.169 9.534 1.00 3.81 ? ? ? ? ? ? 78 GLY B CA 1 -ATOM 1649 C C . GLY B 1 78 ? 17.921 -5.111 8.659 1.00 5.65 ? ? ? ? ? ? 78 GLY B C 1 -ATOM 1650 O O . GLY B 1 78 ? 18.077 -3.923 8.917 1.00 5.08 ? ? ? ? ? ? 78 GLY B O 1 -ATOM 1651 H H . GLY B 1 78 ? 19.401 -4.503 10.690 1.00 15.00 ? ? ? ? ? ? 78 GLY B H 1 -ATOM 1652 N N . PRO B 1 79 ? 17.158 -5.518 7.614 1.00 5.18 ? ? ? ? ? ? 79 PRO B N 1 -ATOM 1653 C CA . PRO B 1 79 ? 16.657 -4.546 6.644 1.00 2.92 ? ? ? ? ? ? 79 PRO B CA 1 -ATOM 1654 C C . PRO B 1 79 ? 15.390 -3.757 7.007 1.00 9.24 ? ? ? ? ? ? 79 PRO B C 1 -ATOM 1655 O O . PRO B 1 79 ? 14.341 -3.835 6.391 1.00 14.52 ? ? ? ? ? ? 79 PRO B O 1 -ATOM 1656 C CB . PRO B 1 79 ? 16.548 -5.391 5.396 1.00 2.02 ? ? ? ? ? ? 79 PRO B CB 1 -ATOM 1657 C CG . PRO B 1 79 ? 16.054 -6.736 5.949 1.00 2.52 ? ? ? ? ? ? 79 PRO B CG 1 -ATOM 1658 C CD . PRO B 1 79 ? 16.794 -6.881 7.274 1.00 4.34 ? ? ? ? ? ? 79 PRO B CD 1 -ATOM 1659 N N . THR B 1 80 ? 15.532 -2.889 8.004 1.00 10.43 ? ? ? ? ? ? 80 THR B N 1 -ATOM 1660 C CA . THR B 1 80 ? 14.414 -1.968 8.250 1.00 10.86 ? ? ? ? ? ? 80 THR B CA 1 -ATOM 1661 C C . THR B 1 80 ? 14.497 -0.600 7.557 1.00 13.07 ? ? ? ? ? ? 80 THR B C 1 -ATOM 1662 O O . THR B 1 80 ? 15.558 0.016 7.484 1.00 19.01 ? ? ? ? ? ? 80 THR B O 1 -ATOM 1663 C CB . THR B 1 80 ? 14.277 -1.755 9.751 1.00 9.00 ? ? ? ? ? ? 80 THR B CB 1 -ATOM 1664 O OG1 . THR B 1 80 ? 13.272 -0.766 10.037 1.00 10.99 ? ? ? ? ? ? 80 THR B OG1 1 -ATOM 1665 C CG2 . THR B 1 80 ? 15.638 -1.318 10.308 1.00 12.20 ? ? ? ? ? ? 80 THR B CG2 1 -ATOM 1666 H H . THR B 1 80 ? 16.405 -2.887 8.491 1.00 15.00 ? ? ? ? ? ? 80 THR B H 1 -ATOM 1667 H HG1 . THR B 1 80 ? 13.456 -0.448 10.925 1.00 15.00 ? ? ? ? ? ? 80 THR B HG1 1 -ATOM 1668 N N . PRO B 1 81 ? 13.357 -0.063 7.046 1.00 12.42 ? ? ? ? ? ? 81 PRO B N 1 -ATOM 1669 C CA . PRO B 1 81 ? 13.412 1.341 6.572 1.00 13.21 ? ? ? ? ? ? 81 PRO B CA 1 -ATOM 1670 C C . PRO B 1 81 ? 13.581 2.406 7.662 1.00 12.96 ? ? ? ? ? ? 81 PRO B C 1 -ATOM 1671 O O . PRO B 1 81 ? 13.811 3.579 7.400 1.00 11.59 ? ? ? ? ? ? 81 PRO B O 1 -ATOM 1672 C CB . PRO B 1 81 ? 12.105 1.495 5.796 1.00 11.64 ? ? ? ? ? ? 81 PRO B CB 1 -ATOM 1673 C CG . PRO B 1 81 ? 11.143 0.471 6.400 1.00 8.50 ? ? ? ? ? ? 81 PRO B CG 1 -ATOM 1674 C CD . PRO B 1 81 ? 12.053 -0.684 6.808 1.00 11.98 ? ? ? ? ? ? 81 PRO B CD 1 -ATOM 1675 N N . VAL B 1 82 ? 13.446 1.928 8.912 1.00 13.68 ? ? ? ? ? ? 82 VAL B N 1 -ATOM 1676 C CA . VAL B 1 82 ? 13.561 2.838 10.064 1.00 13.36 ? ? ? ? ? ? 82 VAL B CA 1 -ATOM 1677 C C . VAL B 1 82 ? 14.236 2.271 11.334 1.00 13.68 ? ? ? ? ? ? 82 VAL B C 1 -ATOM 1678 O O . VAL B 1 82 ? 14.088 1.127 11.760 1.00 16.22 ? ? ? ? ? ? 82 VAL B O 1 -ATOM 1679 C CB . VAL B 1 82 ? 12.166 3.484 10.323 1.00 14.41 ? ? ? ? ? ? 82 VAL B CB 1 -ATOM 1680 C CG1 . VAL B 1 82 ? 11.063 2.448 10.552 1.00 15.43 ? ? ? ? ? ? 82 VAL B CG1 1 -ATOM 1681 C CG2 . VAL B 1 82 ? 12.195 4.590 11.382 1.00 11.95 ? ? ? ? ? ? 82 VAL B CG2 1 -ATOM 1682 H H . VAL B 1 82 ? 13.191 0.971 9.049 1.00 15.00 ? ? ? ? ? ? 82 VAL B H 1 -ATOM 1683 N N . ASN B 1 83 ? 15.025 3.157 11.932 1.00 12.01 ? ? ? ? ? ? 83 ASN B N 1 -ATOM 1684 C CA . ASN B 1 83 ? 15.666 2.791 13.194 1.00 10.29 ? ? ? ? ? ? 83 ASN B CA 1 -ATOM 1685 C C . ASN B 1 83 ? 14.749 2.975 14.382 1.00 10.32 ? ? ? ? ? ? 83 ASN B C 1 -ATOM 1686 O O . ASN B 1 83 ? 14.326 4.076 14.683 1.00 10.57 ? ? ? ? ? ? 83 ASN B O 1 -ATOM 1687 C CB . ASN B 1 83 ? 16.893 3.665 13.454 1.00 12.27 ? ? ? ? ? ? 83 ASN B CB 1 -ATOM 1688 C CG . ASN B 1 83 ? 18.006 3.484 12.423 1.00 15.73 ? ? ? ? ? ? 83 ASN B CG 1 -ATOM 1689 O OD1 . ASN B 1 83 ? 18.331 2.413 11.945 1.00 15.61 ? ? ? ? ? ? 83 ASN B OD1 1 -ATOM 1690 N ND2 . ASN B 1 83 ? 18.625 4.608 12.090 1.00 14.21 ? ? ? ? ? ? 83 ASN B ND2 1 -ATOM 1691 H H . ASN B 1 83 ? 15.112 4.055 11.508 1.00 15.00 ? ? ? ? ? ? 83 ASN B H 1 -ATOM 1692 H HD21 . ASN B 1 83 ? 19.364 4.496 11.434 1.00 15.00 ? ? ? ? ? ? 83 ASN B HD21 1 -ATOM 1693 H HD22 . ASN B 1 83 ? 18.324 5.482 12.478 1.00 15.00 ? ? ? ? ? ? 83 ASN B HD22 1 -ATOM 1694 N N . ILE B 1 84 ? 14.477 1.868 15.060 1.00 9.64 ? ? ? ? ? ? 84 ILE B N 1 -ATOM 1695 C CA . ILE B 1 84 ? 13.566 1.901 16.204 1.00 6.41 ? ? ? ? ? ? 84 ILE B CA 1 -ATOM 1696 C C . ILE B 1 84 ? 14.247 1.541 17.523 1.00 4.30 ? ? ? ? ? ? 84 ILE B C 1 -ATOM 1697 O O . ILE B 1 84 ? 14.832 0.478 17.661 1.00 2.00 ? ? ? ? ? ? 84 ILE B O 1 -ATOM 1698 C CB . ILE B 1 84 ? 12.385 0.935 15.879 1.00 10.02 ? ? ? ? ? ? 84 ILE B CB 1 -ATOM 1699 C CG1 . ILE B 1 84 ? 11.366 1.514 14.928 1.00 8.83 ? ? ? ? ? ? 84 ILE B CG1 1 -ATOM 1700 C CG2 . ILE B 1 84 ? 11.566 0.418 17.051 1.00 13.45 ? ? ? ? ? ? 84 ILE B CG2 1 -ATOM 1701 C CD1 . ILE B 1 84 ? 10.834 0.320 14.179 1.00 13.89 ? ? ? ? ? ? 84 ILE B CD1 1 -ATOM 1702 H H . ILE B 1 84 ? 14.881 1.013 14.728 1.00 15.00 ? ? ? ? ? ? 84 ILE B H 1 -ATOM 1703 N N . ILE B 1 85 ? 14.100 2.481 18.481 1.00 2.41 ? ? ? ? ? ? 85 ILE B N 1 -ATOM 1704 C CA . ILE B 1 85 ? 14.438 2.258 19.883 1.00 2.00 ? ? ? ? ? ? 85 ILE B CA 1 -ATOM 1705 C C . ILE B 1 85 ? 13.254 1.658 20.664 1.00 4.79 ? ? ? ? ? ? 85 ILE B C 1 -ATOM 1706 O O . ILE B 1 85 ? 12.239 2.291 20.911 1.00 7.52 ? ? ? ? ? ? 85 ILE B O 1 -ATOM 1707 C CB . ILE B 1 85 ? 14.902 3.586 20.555 1.00 2.00 ? ? ? ? ? ? 85 ILE B CB 1 -ATOM 1708 C CG1 . ILE B 1 85 ? 16.010 4.266 19.743 1.00 5.76 ? ? ? ? ? ? 85 ILE B CG1 1 -ATOM 1709 C CG2 . ILE B 1 85 ? 15.426 3.416 22.009 1.00 2.00 ? ? ? ? ? ? 85 ILE B CG2 1 -ATOM 1710 C CD1 . ILE B 1 85 ? 17.379 3.572 19.680 1.00 2.00 ? ? ? ? ? ? 85 ILE B CD1 1 -ATOM 1711 H H . ILE B 1 85 ? 13.583 3.301 18.224 1.00 15.00 ? ? ? ? ? ? 85 ILE B H 1 -ATOM 1712 N N . GLY B 1 86 ? 13.433 0.396 21.043 1.00 5.77 ? ? ? ? ? ? 86 GLY B N 1 -ATOM 1713 C CA . GLY B 1 86 ? 12.423 -0.340 21.815 1.00 2.16 ? ? ? ? ? ? 86 GLY B CA 1 -ATOM 1714 C C . GLY B 1 86 ? 12.550 -0.181 23.328 1.00 4.53 ? ? ? ? ? ? 86 GLY B C 1 -ATOM 1715 O O . GLY B 1 86 ? 13.503 0.392 23.860 1.00 6.76 ? ? ? ? ? ? 86 GLY B O 1 -ATOM 1716 H H . GLY B 1 86 ? 14.339 0.022 20.849 1.00 15.00 ? ? ? ? ? ? 86 GLY B H 1 -ATOM 1717 N N . ARG B 1 87 ? 11.557 -0.749 24.017 1.00 3.38 ? ? ? ? ? ? 87 ARG B N 1 -ATOM 1718 C CA . ARG B 1 87 ? 11.510 -0.755 25.479 1.00 2.44 ? ? ? ? ? ? 87 ARG B CA 1 -ATOM 1719 C C . ARG B 1 87 ? 12.725 -1.248 26.266 1.00 5.65 ? ? ? ? ? ? 87 ARG B C 1 -ATOM 1720 O O . ARG B 1 87 ? 12.956 -0.806 27.381 1.00 13.25 ? ? ? ? ? ? 87 ARG B O 1 -ATOM 1721 C CB . ARG B 1 87 ? 10.290 -1.528 25.906 1.00 7.47 ? ? ? ? ? ? 87 ARG B CB 1 -ATOM 1722 C CG . ARG B 1 87 ? 8.917 -0.959 25.491 1.00 8.87 ? ? ? ? ? ? 87 ARG B CG 1 -ATOM 1723 C CD . ARG B 1 87 ? 7.801 -2.039 25.487 1.00 7.94 ? ? ? ? ? ? 87 ARG B CD 1 -ATOM 1724 N NE . ARG B 1 87 ? 7.774 -2.654 26.794 1.00 5.94 ? ? ? ? ? ? 87 ARG B NE 1 -ATOM 1725 C CZ . ARG B 1 87 ? 8.189 -3.922 26.991 1.00 6.37 ? ? ? ? ? ? 87 ARG B CZ 1 -ATOM 1726 N NH1 . ARG B 1 87 ? 8.179 -4.849 26.041 1.00 2.00 ? ? ? ? ? ? 87 ARG B NH1 1 -ATOM 1727 N NH2 . ARG B 1 87 ? 8.637 -4.237 28.197 1.00 10.76 ? ? ? ? ? ? 87 ARG B NH2 1 -ATOM 1728 H H . ARG B 1 87 ? 10.767 -1.026 23.480 1.00 15.00 ? ? ? ? ? ? 87 ARG B H 1 -ATOM 1729 H HE . ARG B 1 87 ? 7.682 -2.071 27.601 1.00 15.00 ? ? ? ? ? ? 87 ARG B HE 1 -ATOM 1730 H HH11 . ARG B 1 87 ? 7.853 -4.627 25.123 1.00 15.00 ? ? ? ? ? ? 87 ARG B HH11 1 -ATOM 1731 H HH12 . ARG B 1 87 ? 8.503 -5.772 26.246 1.00 15.00 ? ? ? ? ? ? 87 ARG B HH12 1 -ATOM 1732 H HH21 . ARG B 1 87 ? 8.653 -3.541 28.915 1.00 15.00 ? ? ? ? ? ? 87 ARG B HH21 1 -ATOM 1733 H HH22 . ARG B 1 87 ? 8.959 -5.165 28.391 1.00 15.00 ? ? ? ? ? ? 87 ARG B HH22 1 -ATOM 1734 N N . ASN B 1 88 ? 13.552 -2.137 25.667 1.00 4.58 ? ? ? ? ? ? 88 ASN B N 1 -ATOM 1735 C CA . ASN B 1 88 ? 14.830 -2.535 26.304 1.00 4.31 ? ? ? ? ? ? 88 ASN B CA 1 -ATOM 1736 C C . ASN B 1 88 ? 15.915 -1.471 26.592 1.00 6.99 ? ? ? ? ? ? 88 ASN B C 1 -ATOM 1737 O O . ASN B 1 88 ? 16.718 -1.548 27.513 1.00 10.50 ? ? ? ? ? ? 88 ASN B O 1 -ATOM 1738 C CB . ASN B 1 88 ? 15.458 -3.730 25.561 1.00 2.00 ? ? ? ? ? ? 88 ASN B CB 1 -ATOM 1739 C CG . ASN B 1 88 ? 16.103 -3.340 24.263 1.00 4.25 ? ? ? ? ? ? 88 ASN B CG 1 -ATOM 1740 O OD1 . ASN B 1 88 ? 15.559 -2.581 23.473 1.00 6.48 ? ? ? ? ? ? 88 ASN B OD1 1 -ATOM 1741 N ND2 . ASN B 1 88 ? 17.308 -3.865 24.045 1.00 2.00 ? ? ? ? ? ? 88 ASN B ND2 1 -ATOM 1742 H H . ASN B 1 88 ? 13.264 -2.501 24.783 1.00 15.00 ? ? ? ? ? ? 88 ASN B H 1 -ATOM 1743 H HD21 . ASN B 1 88 ? 17.747 -3.648 23.174 1.00 15.00 ? ? ? ? ? ? 88 ASN B HD21 1 -ATOM 1744 H HD22 . ASN B 1 88 ? 17.759 -4.444 24.722 1.00 15.00 ? ? ? ? ? ? 88 ASN B HD22 1 -ATOM 1745 N N . LEU B 1 89 ? 15.903 -0.476 25.702 1.00 6.35 ? ? ? ? ? ? 89 LEU B N 1 -ATOM 1746 C CA . LEU B 1 89 ? 16.787 0.686 25.809 1.00 2.00 ? ? ? ? ? ? 89 LEU B CA 1 -ATOM 1747 C C . LEU B 1 89 ? 16.077 1.846 26.476 1.00 2.18 ? ? ? ? ? ? 89 LEU B C 1 -ATOM 1748 O O . LEU B 1 89 ? 16.600 2.478 27.382 1.00 4.96 ? ? ? ? ? ? 89 LEU B O 1 -ATOM 1749 C CB . LEU B 1 89 ? 17.326 1.021 24.395 1.00 3.14 ? ? ? ? ? ? 89 LEU B CB 1 -ATOM 1750 C CG . LEU B 1 89 ? 18.799 0.609 24.116 1.00 4.86 ? ? ? ? ? ? 89 LEU B CG 1 -ATOM 1751 C CD1 . LEU B 1 89 ? 19.161 -0.777 24.667 1.00 8.03 ? ? ? ? ? ? 89 LEU B CD1 1 -ATOM 1752 C CD2 . LEU B 1 89 ? 19.205 0.739 22.651 1.00 2.06 ? ? ? ? ? ? 89 LEU B CD2 1 -ATOM 1753 H H . LEU B 1 89 ? 15.259 -0.599 24.942 1.00 15.00 ? ? ? ? ? ? 89 LEU B H 1 -ATOM 1754 N N . LEU B 1 90 ? 14.800 2.061 26.082 1.00 6.66 ? ? ? ? ? ? 90 LEU B N 1 -ATOM 1755 C CA . LEU B 1 90 ? 13.932 3.133 26.689 1.00 6.20 ? ? ? ? ? ? 90 LEU B CA 1 -ATOM 1756 C C . LEU B 1 90 ? 13.854 3.200 28.214 1.00 4.35 ? ? ? ? ? ? 90 LEU B C 1 -ATOM 1757 O O . LEU B 1 90 ? 13.775 4.235 28.869 1.00 5.39 ? ? ? ? ? ? 90 LEU B O 1 -ATOM 1758 C CB . LEU B 1 90 ? 12.465 3.015 26.184 1.00 8.53 ? ? ? ? ? ? 90 LEU B CB 1 -ATOM 1759 C CG . LEU B 1 90 ? 11.936 3.857 24.981 1.00 5.53 ? ? ? ? ? ? 90 LEU B CG 1 -ATOM 1760 C CD1 . LEU B 1 90 ? 13.007 4.601 24.193 1.00 2.00 ? ? ? ? ? ? 90 LEU B CD1 1 -ATOM 1761 C CD2 . LEU B 1 90 ? 10.944 3.065 24.112 1.00 3.50 ? ? ? ? ? ? 90 LEU B CD2 1 -ATOM 1762 H H . LEU B 1 90 ? 14.483 1.528 25.293 1.00 15.00 ? ? ? ? ? ? 90 LEU B H 1 -ATOM 1763 N N . THR B 1 91 ? 13.883 2.005 28.787 1.00 5.72 ? ? ? ? ? ? 91 THR B N 1 -ATOM 1764 C CA . THR B 1 91 ? 13.936 2.005 30.248 1.00 8.62 ? ? ? ? ? ? 91 THR B CA 1 -ATOM 1765 C C . THR B 1 91 ? 15.238 2.497 30.906 1.00 12.11 ? ? ? ? ? ? 91 THR B C 1 -ATOM 1766 O O . THR B 1 91 ? 15.268 3.135 31.946 1.00 12.10 ? ? ? ? ? ? 91 THR B O 1 -ATOM 1767 C CB . THR B 1 91 ? 13.563 0.625 30.757 1.00 8.36 ? ? ? ? ? ? 91 THR B CB 1 -ATOM 1768 O OG1 . THR B 1 91 ? 14.488 -0.364 30.335 1.00 9.15 ? ? ? ? ? ? 91 THR B OG1 1 -ATOM 1769 C CG2 . THR B 1 91 ? 12.176 0.247 30.265 1.00 2.92 ? ? ? ? ? ? 91 THR B CG2 1 -ATOM 1770 H H . THR B 1 91 ? 13.883 1.154 28.259 1.00 15.00 ? ? ? ? ? ? 91 THR B H 1 -ATOM 1771 H HG1 . THR B 1 91 ? 13.997 -1.180 30.314 1.00 15.00 ? ? ? ? ? ? 91 THR B HG1 1 -ATOM 1772 N N . GLN B 1 92 ? 16.343 2.259 30.192 1.00 13.30 ? ? ? ? ? ? 92 GLN B N 1 -ATOM 1773 C CA . GLN B 1 92 ? 17.639 2.763 30.654 1.00 13.01 ? ? ? ? ? ? 92 GLN B CA 1 -ATOM 1774 C C . GLN B 1 92 ? 17.807 4.289 30.707 1.00 16.58 ? ? ? ? ? ? 92 GLN B C 1 -ATOM 1775 O O . GLN B 1 92 ? 18.555 4.840 31.504 1.00 21.33 ? ? ? ? ? ? 92 GLN B O 1 -ATOM 1776 C CB . GLN B 1 92 ? 18.749 2.149 29.811 1.00 11.12 ? ? ? ? ? ? 92 GLN B CB 1 -ATOM 1777 C CG . GLN B 1 92 ? 18.915 0.652 30.094 1.00 7.58 ? ? ? ? ? ? 92 GLN B CG 1 -ATOM 1778 C CD . GLN B 1 92 ? 20.064 0.116 29.278 1.00 7.51 ? ? ? ? ? ? 92 GLN B CD 1 -ATOM 1779 O OE1 . GLN B 1 92 ? 21.087 0.737 29.085 1.00 9.84 ? ? ? ? ? ? 92 GLN B OE1 1 -ATOM 1780 N NE2 . GLN B 1 92 ? 19.884 -1.074 28.761 1.00 6.92 ? ? ? ? ? ? 92 GLN B NE2 1 -ATOM 1781 H H . GLN B 1 92 ? 16.253 1.748 29.339 1.00 15.00 ? ? ? ? ? ? 92 GLN B H 1 -ATOM 1782 H HE21 . GLN B 1 92 ? 20.713 -1.454 28.349 1.00 15.00 ? ? ? ? ? ? 92 GLN B HE21 1 -ATOM 1783 H HE22 . GLN B 1 92 ? 18.987 -1.510 28.793 1.00 15.00 ? ? ? ? ? ? 92 GLN B HE22 1 -ATOM 1784 N N . ILE B 1 93 ? 17.045 4.968 29.837 1.00 12.87 ? ? ? ? ? ? 93 ILE B N 1 -ATOM 1785 C CA . ILE B 1 93 ? 17.188 6.422 29.880 1.00 11.98 ? ? ? ? ? ? 93 ILE B CA 1 -ATOM 1786 C C . ILE B 1 93 ? 16.200 7.226 30.748 1.00 15.56 ? ? ? ? ? ? 93 ILE B C 1 -ATOM 1787 O O . ILE B 1 93 ? 16.194 8.452 30.763 1.00 18.42 ? ? ? ? ? ? 93 ILE B O 1 -ATOM 1788 C CB . ILE B 1 93 ? 17.265 6.997 28.459 1.00 13.13 ? ? ? ? ? ? 93 ILE B CB 1 -ATOM 1789 C CG1 . ILE B 1 93 ? 15.894 6.880 27.787 1.00 8.28 ? ? ? ? ? ? 93 ILE B CG1 1 -ATOM 1790 C CG2 . ILE B 1 93 ? 18.397 6.268 27.707 1.00 11.44 ? ? ? ? ? ? 93 ILE B CG2 1 -ATOM 1791 C CD1 . ILE B 1 93 ? 15.838 7.301 26.320 1.00 2.00 ? ? ? ? ? ? 93 ILE B CD1 1 -ATOM 1792 H H . ILE B 1 93 ? 16.524 4.453 29.159 1.00 15.00 ? ? ? ? ? ? 93 ILE B H 1 -ATOM 1793 N N . GLY B 1 94 ? 15.333 6.473 31.472 1.00 18.70 ? ? ? ? ? ? 94 GLY B N 1 -ATOM 1794 C CA . GLY B 1 94 ? 14.292 7.114 32.314 1.00 15.92 ? ? ? ? ? ? 94 GLY B CA 1 -ATOM 1795 C C . GLY B 1 94 ? 12.929 7.432 31.657 1.00 20.12 ? ? ? ? ? ? 94 GLY B C 1 -ATOM 1796 O O . GLY B 1 94 ? 12.145 8.270 32.096 1.00 21.88 ? ? ? ? ? ? 94 GLY B O 1 -ATOM 1797 H H . GLY B 1 94 ? 15.472 5.483 31.470 1.00 15.00 ? ? ? ? ? ? 94 GLY B H 1 -ATOM 1798 N N . CYS B 1 95 ? 12.677 6.696 30.551 1.00 17.65 ? ? ? ? ? ? 95 CYS B N 1 -ATOM 1799 C CA . CYS B 1 95 ? 11.518 7.078 29.755 1.00 13.90 ? ? ? ? ? ? 95 CYS B CA 1 -ATOM 1800 C C . CYS B 1 95 ? 10.172 6.552 30.232 1.00 15.16 ? ? ? ? ? ? 95 CYS B C 1 -ATOM 1801 O O . CYS B 1 95 ? 9.972 5.378 30.537 1.00 15.03 ? ? ? ? ? ? 95 CYS B O 1 -ATOM 1802 C CB . CYS B 1 95 ? 11.751 6.682 28.326 1.00 17.96 ? ? ? ? ? ? 95 CYS B CB 1 -ATOM 1803 S SG . CYS B 1 95 ? 10.719 7.651 27.244 1.00 24.85 ? ? ? ? ? ? 95 CYS B SG 1 -ATOM 1804 H H . CYS B 1 95 ? 13.302 5.956 30.306 1.00 15.00 ? ? ? ? ? ? 95 CYS B H 1 -ATOM 1805 N N . THR B 1 96 ? 9.255 7.512 30.304 1.00 14.17 ? ? ? ? ? ? 96 THR B N 1 -ATOM 1806 C CA . THR B 1 96 ? 7.892 7.277 30.822 1.00 10.50 ? ? ? ? ? ? 96 THR B CA 1 -ATOM 1807 C C . THR B 1 96 ? 6.703 7.772 29.924 1.00 10.86 ? ? ? ? ? ? 96 THR B C 1 -ATOM 1808 O O . THR B 1 96 ? 6.776 8.715 29.137 1.00 10.68 ? ? ? ? ? ? 96 THR B O 1 -ATOM 1809 C CB . THR B 1 96 ? 7.876 7.836 32.244 1.00 7.42 ? ? ? ? ? ? 96 THR B CB 1 -ATOM 1810 O OG1 . THR B 1 96 ? 7.122 7.049 33.131 1.00 18.33 ? ? ? ? ? ? 96 THR B OG1 1 -ATOM 1811 C CG2 . THR B 1 96 ? 7.423 9.268 32.346 1.00 7.05 ? ? ? ? ? ? 96 THR B CG2 1 -ATOM 1812 H H . THR B 1 96 ? 9.595 8.433 30.102 1.00 15.00 ? ? ? ? ? ? 96 THR B H 1 -ATOM 1813 H HG1 . THR B 1 96 ? 7.076 7.573 33.926 1.00 15.00 ? ? ? ? ? ? 96 THR B HG1 1 -ATOM 1814 N N . LEU B 1 97 ? 5.572 7.068 30.017 1.00 12.50 ? ? ? ? ? ? 97 LEU B N 1 -ATOM 1815 C CA . LEU B 1 97 ? 4.381 7.555 29.292 1.00 9.08 ? ? ? ? ? ? 97 LEU B CA 1 -ATOM 1816 C C . LEU B 1 97 ? 3.341 8.244 30.248 1.00 10.28 ? ? ? ? ? ? 97 LEU B C 1 -ATOM 1817 O O . LEU B 1 97 ? 2.995 7.752 31.323 1.00 4.98 ? ? ? ? ? ? 97 LEU B O 1 -ATOM 1818 C CB . LEU B 1 97 ? 3.930 6.335 28.456 1.00 6.81 ? ? ? ? ? ? 97 LEU B CB 1 -ATOM 1819 C CG . LEU B 1 97 ? 2.975 6.301 27.249 1.00 2.00 ? ? ? ? ? ? 97 LEU B CG 1 -ATOM 1820 C CD1 . LEU B 1 97 ? 3.278 7.121 25.993 1.00 2.00 ? ? ? ? ? ? 97 LEU B CD1 1 -ATOM 1821 C CD2 . LEU B 1 97 ? 3.030 4.874 26.782 1.00 2.00 ? ? ? ? ? ? 97 LEU B CD2 1 -ATOM 1822 H H . LEU B 1 97 ? 5.557 6.271 30.624 1.00 15.00 ? ? ? ? ? ? 97 LEU B H 1 -ATOM 1823 N N . ASN B 1 98 ? 2.906 9.456 29.840 1.00 11.81 ? ? ? ? ? ? 98 ASN B N 1 -ATOM 1824 C CA . ASN B 1 98 ? 2.027 10.258 30.712 1.00 14.60 ? ? ? ? ? ? 98 ASN B CA 1 -ATOM 1825 C C . ASN B 1 98 ? 0.815 10.898 30.041 1.00 17.08 ? ? ? ? ? ? 98 ASN B C 1 -ATOM 1826 O O . ASN B 1 98 ? 0.770 11.025 28.820 1.00 16.80 ? ? ? ? ? ? 98 ASN B O 1 -ATOM 1827 C CB . ASN B 1 98 ? 2.741 11.428 31.309 1.00 15.57 ? ? ? ? ? ? 98 ASN B CB 1 -ATOM 1828 C CG . ASN B 1 98 ? 3.799 10.997 32.279 1.00 18.53 ? ? ? ? ? ? 98 ASN B CG 1 -ATOM 1829 O OD1 . ASN B 1 98 ? 4.988 11.013 32.015 1.00 14.88 ? ? ? ? ? ? 98 ASN B OD1 1 -ATOM 1830 N ND2 . ASN B 1 98 ? 3.330 10.741 33.486 1.00 17.86 ? ? ? ? ? ? 98 ASN B ND2 1 -ATOM 1831 H H . ASN B 1 98 ? 3.227 9.802 28.954 1.00 15.00 ? ? ? ? ? ? 98 ASN B H 1 -ATOM 1832 H HD21 . ASN B 1 98 ? 4.036 10.609 34.175 1.00 15.00 ? ? ? ? ? ? 98 ASN B HD21 1 -ATOM 1833 H HD22 . ASN B 1 98 ? 2.344 10.686 33.628 1.00 15.00 ? ? ? ? ? ? 98 ASN B HD22 1 -ATOM 1834 N N . PHE B 1 99 ? -0.104 11.294 30.941 1.00 20.23 ? ? ? ? ? ? 99 PHE B N 1 -ATOM 1835 C CA . PHE B 1 99 ? -1.522 10.899 31.041 1.00 20.55 ? ? ? ? ? ? 99 PHE B CA 1 -ATOM 1836 C C . PHE B 1 99 ? -2.234 11.277 32.355 1.00 15.56 ? ? ? ? ? ? 99 PHE B C 1 -ATOM 1837 O O . PHE B 1 99 ? -3.448 11.150 32.489 0.00 16.69 ? ? ? ? ? ? 99 PHE B O 1 -ATOM 1838 C CB . PHE B 1 99 ? -2.373 11.019 29.759 1.00 22.25 ? ? ? ? ? ? 99 PHE B CB 1 -ATOM 1839 C CG . PHE B 1 99 ? -2.820 9.586 29.541 1.00 25.51 ? ? ? ? ? ? 99 PHE B CG 1 -ATOM 1840 C CD1 . PHE B 1 99 ? -1.892 8.647 29.026 1.00 25.13 ? ? ? ? ? ? 99 PHE B CD1 1 -ATOM 1841 C CD2 . PHE B 1 99 ? -4.113 9.170 29.940 1.00 28.47 ? ? ? ? ? ? 99 PHE B CD2 1 -ATOM 1842 C CE1 . PHE B 1 99 ? -2.222 7.274 28.976 1.00 21.04 ? ? ? ? ? ? 99 PHE B CE1 1 -ATOM 1843 C CE2 . PHE B 1 99 ? -4.446 7.799 29.894 1.00 25.86 ? ? ? ? ? ? 99 PHE B CE2 1 -ATOM 1844 C CZ . PHE B 1 99 ? -3.488 6.863 29.441 1.00 24.17 ? ? ? ? ? ? 99 PHE B CZ 1 -ATOM 1845 O OXT . PHE B 1 99 ? -1.554 11.525 33.354 0.00 16.69 ? ? ? ? ? ? 99 PHE B OXT 1 -ATOM 1846 H H . PHE B 1 99 ? 0.193 11.604 31.840 1.00 15.00 ? ? ? ? ? ? 99 PHE B H 1 -HETATM 1847 C C1 . ARQ C 2 . ? 1.474 1.321 11.354 1.00 10.36 ? ? ? ? ? ? 401 ARQ A C1 1 -HETATM 1848 C C2 . ARQ C 2 . ? 0.562 0.252 12.036 1.00 10.59 ? ? ? ? ? ? 401 ARQ A C2 1 -HETATM 1849 C C3 . ARQ C 2 . ? 0.675 2.633 11.410 1.00 7.58 ? ? ? ? ? ? 401 ARQ A C3 1 -HETATM 1850 C C4 . ARQ C 2 . ? 1.852 1.006 9.891 1.00 4.50 ? ? ? ? ? ? 401 ARQ A C4 1 -HETATM 1851 O O4 . ARQ C 2 . ? 2.664 1.554 12.108 1.00 13.55 ? ? ? ? ? ? 401 ARQ A O4 1 -HETATM 1852 C C30 . ARQ C 2 . ? 3.511 0.571 12.400 1.00 11.18 ? ? ? ? ? ? 401 ARQ A C30 1 -HETATM 1853 O O3 . ARQ C 2 . ? 3.399 -0.533 11.970 1.00 9.15 ? ? ? ? ? ? 401 ARQ A O3 1 -HETATM 1854 N N1 . ARQ C 2 . ? 4.497 0.994 13.193 1.00 11.89 ? ? ? ? ? ? 401 ARQ A N1 1 -HETATM 1855 C C5 . ARQ C 2 . ? 5.716 0.269 13.558 1.00 14.02 ? ? ? ? ? ? 401 ARQ A C5 1 -HETATM 1856 C C6 . ARQ C 2 . ? 6.953 1.163 13.346 1.00 9.73 ? ? ? ? ? ? 401 ARQ A C6 1 -HETATM 1857 C C7 . ARQ C 2 . ? 6.975 1.824 11.998 1.00 9.34 ? ? ? ? ? ? 401 ARQ A C7 1 -HETATM 1858 C C8 . ARQ C 2 . ? 6.815 1.051 10.826 1.00 8.95 ? ? ? ? ? ? 401 ARQ A C8 1 -HETATM 1859 C C9 . ARQ C 2 . ? 6.791 1.701 9.574 1.00 6.26 ? ? ? ? ? ? 401 ARQ A C9 1 -HETATM 1860 C C10 . ARQ C 2 . ? 6.927 3.110 9.519 1.00 5.40 ? ? ? ? ? ? 401 ARQ A C10 1 -HETATM 1861 C C11 . ARQ C 2 . ? 7.114 3.232 11.941 1.00 8.18 ? ? ? ? ? ? 401 ARQ A C11 1 -HETATM 1862 C C12 . ARQ C 2 . ? 7.085 3.888 10.692 1.00 5.52 ? ? ? ? ? ? 401 ARQ A C12 1 -HETATM 1863 C C13 . ARQ C 2 . ? 5.642 -0.319 14.998 1.00 12.77 ? ? ? ? ? ? 401 ARQ A C13 1 -HETATM 1864 O O1 . ARQ C 2 . ? 5.248 0.651 15.980 1.00 8.69 ? ? ? ? ? ? 401 ARQ A O1 1 -HETATM 1865 C C14 . ARQ C 2 . ? 4.669 -1.525 15.008 1.00 14.15 ? ? ? ? ? ? 401 ARQ A C14 1 -HETATM 1866 N N2 . ARQ C 2 . ? 4.998 -2.669 15.910 1.00 16.35 ? ? ? ? ? ? 401 ARQ A N2 1 -HETATM 1867 C C22 . ARQ C 2 . ? 5.441 -2.219 17.249 1.00 15.50 ? ? ? ? ? ? 401 ARQ A C22 1 -HETATM 1868 C C15 . ARQ C 2 . ? 3.718 -3.441 16.024 1.00 12.33 ? ? ? ? ? ? 401 ARQ A C15 1 -HETATM 1869 C C16 . ARQ C 2 . ? 3.724 -4.695 16.883 1.00 6.95 ? ? ? ? ? ? 401 ARQ A C16 1 -HETATM 1870 C C17 . ARQ C 2 . ? 4.055 -5.940 16.308 1.00 9.51 ? ? ? ? ? ? 401 ARQ A C17 1 -HETATM 1871 C C18 . ARQ C 2 . ? 4.162 -7.106 17.109 1.00 9.70 ? ? ? ? ? ? 401 ARQ A C18 1 -HETATM 1872 C C19 . ARQ C 2 . ? 3.957 -7.006 18.505 1.00 3.77 ? ? ? ? ? ? 401 ARQ A C19 1 -HETATM 1873 C C20 . ARQ C 2 . ? 3.386 -4.632 18.248 1.00 8.21 ? ? ? ? ? ? 401 ARQ A C20 1 -HETATM 1874 C C21 . ARQ C 2 . ? 3.502 -5.791 19.063 1.00 7.45 ? ? ? ? ? ? 401 ARQ A C21 1 -HETATM 1875 N N3 . ARQ C 2 . ? 6.121 -3.333 15.291 1.00 13.41 ? ? ? ? ? ? 401 ARQ A N3 1 -HETATM 1876 C C23 . ARQ C 2 . ? 6.067 -4.033 14.140 1.00 20.01 ? ? ? ? ? ? 401 ARQ A C23 1 -HETATM 1877 O O2 . ARQ C 2 . ? 5.015 -4.224 13.523 1.00 22.49 ? ? ? ? ? ? 401 ARQ A O2 1 -HETATM 1878 C C27 . ARQ C 2 . ? 7.360 -4.579 13.674 1.00 23.08 ? ? ? ? ? ? 401 ARQ A C27 1 -HETATM 1879 C C26 . ARQ C 2 . ? 7.343 -5.490 12.582 1.00 23.69 ? ? ? ? ? ? 401 ARQ A C26 1 -HETATM 1880 C C25 . ARQ C 2 . ? 8.521 -6.101 12.123 1.00 18.68 ? ? ? ? ? ? 401 ARQ A C25 1 -HETATM 1881 C C24 . ARQ C 2 . ? 9.714 -5.796 12.796 1.00 19.95 ? ? ? ? ? ? 401 ARQ A C24 1 -HETATM 1882 C C28 . ARQ C 2 . ? 8.593 -4.222 14.279 1.00 25.64 ? ? ? ? ? ? 401 ARQ A C28 1 -HETATM 1883 C C29 . ARQ C 2 . ? 9.781 -4.839 13.838 1.00 23.32 ? ? ? ? ? ? 401 ARQ A C29 1 -HETATM 1884 H HN1 . ARQ C 2 . ? 4.325 1.941 13.433 0.00 0.00 ? ? ? ? ? ? 401 ARQ A HN1 1 -HETATM 1885 H H5 . ARQ C 2 . ? 5.812 -0.555 12.861 0.00 0.00 ? ? ? ? ? ? 401 ARQ A H5 1 -HETATM 1886 H H13 . ARQ C 2 . ? 6.691 -0.707 15.134 0.00 0.00 ? ? ? ? ? ? 401 ARQ A H13 1 -HETATM 1887 H HO1 . ARQ C 2 . ? 4.272 0.697 16.063 0.00 0.00 ? ? ? ? ? ? 401 ARQ A HO1 1 -HETATM 1888 H HN3 . ARQ C 2 . ? 7.032 -3.144 15.636 0.00 0.00 ? ? ? ? ? ? 401 ARQ A HN3 1 -HETATM 1889 O O . HOH D 3 . ? 5.120 -2.430 11.475 1.00 17.90 ? ? ? ? ? ? 402 HOH A O 1 -HETATM 1890 H H1 . HOH D 3 . ? 4.703 -2.628 12.329 0.00 20.00 ? ? ? ? ? ? 402 HOH A H1 1 -HETATM 1891 H H2 . HOH D 3 . ? 4.811 -1.521 11.387 0.00 20.00 ? ? ? ? ? ? 402 HOH A H2 1 -HETATM 1892 O O . HOH D 3 . ? 8.333 -4.450 17.823 1.00 17.83 ? ? ? ? ? ? 403 HOH A O 1 -HETATM 1893 H H1 . HOH D 3 . ? 8.259 -3.544 17.504 0.00 20.00 ? ? ? ? ? ? 403 HOH A H1 1 -HETATM 1894 H H2 . HOH D 3 . ? 7.430 -4.770 17.707 0.00 20.00 ? ? ? ? ? ? 403 HOH A H2 1 -HETATM 1895 O O . HOH D 3 . ? -1.392 10.401 12.400 1.00 25.70 ? ? ? ? ? ? 405 HOH A O 1 -HETATM 1896 H H1 . HOH D 3 . ? -1.110 9.691 12.984 0.00 20.00 ? ? ? ? ? ? 405 HOH A H1 1 -HETATM 1897 H H2 . HOH D 3 . ? -1.196 11.201 12.890 0.00 20.00 ? ? ? ? ? ? 405 HOH A H2 1 -HETATM 1898 O O . HOH D 3 . ? -8.545 10.688 13.725 1.00 4.29 ? ? ? ? ? ? 406 HOH A O 1 -HETATM 1899 H H1 . HOH D 3 . ? -8.105 11.169 13.015 0.00 20.00 ? ? ? ? ? ? 406 HOH A H1 1 -HETATM 1900 H H2 . HOH D 3 . ? -8.992 11.385 14.219 0.00 20.00 ? ? ? ? ? ? 406 HOH A H2 1 -HETATM 1901 O O . HOH D 3 . ? 7.328 3.159 38.192 1.00 63.38 ? ? ? ? ? ? 410 HOH A O 1 -HETATM 1902 H H1 . HOH D 3 . ? 7.836 2.868 38.960 0.00 20.00 ? ? ? ? ? ? 410 HOH A H1 1 -HETATM 1903 H H2 . HOH D 3 . ? 7.292 2.360 37.640 0.00 20.00 ? ? ? ? ? ? 410 HOH A H2 1 -HETATM 1904 O O . HOH E 3 . ? 18.496 0.062 6.092 1.00 58.99 ? ? ? ? ? ? 407 HOH B O 1 -HETATM 1905 H H1 . HOH E 3 . ? 18.810 0.911 5.772 0.00 20.00 ? ? ? ? ? ? 407 HOH B H1 1 -HETATM 1906 H H2 . HOH E 3 . ? 17.595 0.283 6.369 0.00 20.00 ? ? ? ? ? ? 407 HOH B H2 1 -HETATM 1907 O O . HOH E 3 . ? 18.639 -4.883 26.553 1.00 13.69 ? ? ? ? ? ? 408 HOH B O 1 -HETATM 1908 H H1 . HOH E 3 . ? 19.047 -5.595 27.057 0.00 20.00 ? ? ? ? ? ? 408 HOH B H1 1 -HETATM 1909 H H2 . HOH E 3 . ? 18.259 -4.326 27.243 0.00 20.00 ? ? ? ? ? ? 408 HOH B H2 1 -HETATM 1910 O O . HOH E 3 . ? 10.120 3.111 32.180 1.00 13.85 ? ? ? ? ? ? 409 HOH B O 1 -HETATM 1911 H H1 . HOH E 3 . ? 10.839 3.269 32.796 0.00 20.00 ? ? ? ? ? ? 409 HOH B H1 1 -HETATM 1912 H H2 . HOH E 3 . ? 10.029 3.959 31.733 0.00 20.00 ? ? ? ? ? ? 409 HOH B H2 1 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 PRO 1 1 1 PRO PRO A . n -A 1 2 GLN 2 2 2 GLN GLN A . n -A 1 3 ILE 3 3 3 ILE ILE A . n -A 1 4 THR 4 4 4 THR THR A . n -A 1 5 LEU 5 5 5 LEU LEU A . n -A 1 6 TRP 6 6 6 TRP TRP A . n -A 1 7 LYS 7 7 7 LYS LYS A . n -A 1 8 ARG 8 8 8 ARG ARG A . n -A 1 9 PRO 9 9 9 PRO PRO A . n -A 1 10 LEU 10 10 10 LEU LEU A . n -A 1 11 VAL 11 11 11 VAL VAL A . n -A 1 12 THR 12 12 12 THR THR A . n -A 1 13 ILE 13 13 13 ILE ILE A . n -A 1 14 ARG 14 14 14 ARG ARG A . n -A 1 15 ILE 15 15 15 ILE ILE A . n -A 1 16 GLY 16 16 16 GLY GLY A . n -A 1 17 GLY 17 17 17 GLY GLY A . n -A 1 18 GLN 18 18 18 GLN GLN A . n -A 1 19 LEU 19 19 19 LEU LEU A . n -A 1 20 LYS 20 20 20 LYS LYS A . n -A 1 21 GLU 21 21 21 GLU GLU A . n -A 1 22 ALA 22 22 22 ALA ALA A . n -A 1 23 LEU 23 23 23 LEU LEU A . n -A 1 24 LEU 24 24 24 LEU LEU A . n -A 1 25 ASP 25 25 25 ASP ASP A . n -A 1 26 THR 26 26 26 THR THR A . n -A 1 27 GLY 27 27 27 GLY GLY A . n -A 1 28 ALA 28 28 28 ALA ALA A . n -A 1 29 ASP 29 29 29 ASP ASP A . n -A 1 30 ASP 30 30 30 ASP ASP A . n -A 1 31 THR 31 31 31 THR THR A . n -A 1 32 VAL 32 32 32 VAL VAL A . n -A 1 33 LEU 33 33 33 LEU LEU A . n -A 1 34 GLU 34 34 34 GLU GLU A . n -A 1 35 GLU 35 35 35 GLU GLU A . n -A 1 36 MET 36 36 36 MET MET A . n -A 1 37 ASN 37 37 37 ASN ASN A . n -A 1 38 LEU 38 38 38 LEU LEU A . n -A 1 39 PRO 39 39 39 PRO PRO A . n -A 1 40 GLY 40 40 40 GLY GLY A . n -A 1 41 LYS 41 41 41 LYS LYS A . n -A 1 42 TRP 42 42 42 TRP TRP A . n -A 1 43 LYS 43 43 43 LYS LYS A . n -A 1 44 PRO 44 44 44 PRO PRO A . n -A 1 45 LYS 45 45 45 LYS LYS A . n -A 1 46 MET 46 46 46 MET MET A . n -A 1 47 ILE 47 47 47 ILE ILE A . n -A 1 48 GLY 48 48 48 GLY GLY A . n -A 1 49 GLY 49 49 49 GLY GLY A . n -A 1 50 ILE 50 50 50 ILE ILE A . n -A 1 51 GLY 51 51 51 GLY GLY A . n -A 1 52 GLY 52 52 52 GLY GLY A . n -A 1 53 PHE 53 53 53 PHE PHE A . n -A 1 54 ILE 54 54 54 ILE ILE A . n -A 1 55 LYS 55 55 55 LYS LYS A . n -A 1 56 VAL 56 56 56 VAL VAL A . n -A 1 57 ARG 57 57 57 ARG ARG A . n -A 1 58 GLN 58 58 58 GLN GLN A . n -A 1 59 TYR 59 59 59 TYR TYR A . n -A 1 60 ASP 60 60 60 ASP ASP A . n -A 1 61 GLN 61 61 61 GLN GLN A . n -A 1 62 ILE 62 62 62 ILE ILE A . n -A 1 63 PRO 63 63 63 PRO PRO A . n -A 1 64 VAL 64 64 64 VAL VAL A . n -A 1 65 GLU 65 65 65 GLU GLU A . n -A 1 66 ILE 66 66 66 ILE ILE A . n -A 1 67 CYS 67 67 67 CYS CYS A . n -A 1 68 GLY 68 68 68 GLY GLY A . n -A 1 69 HIS 69 69 69 HIS HIS A . n -A 1 70 LYS 70 70 70 LYS LYS A . n -A 1 71 ALA 71 71 71 ALA ALA A . n -A 1 72 ILE 72 72 72 ILE ILE A . n -A 1 73 GLY 73 73 73 GLY GLY A . n -A 1 74 THR 74 74 74 THR THR A . n -A 1 75 VAL 75 75 75 VAL VAL A . n -A 1 76 LEU 76 76 76 LEU LEU A . n -A 1 77 VAL 77 77 77 VAL VAL A . n -A 1 78 GLY 78 78 78 GLY GLY A . n -A 1 79 PRO 79 79 79 PRO PRO A . n -A 1 80 THR 80 80 80 THR THR A . n -A 1 81 PRO 81 81 81 PRO PRO A . n -A 1 82 VAL 82 82 82 VAL VAL A . n -A 1 83 ASN 83 83 83 ASN ASN A . n -A 1 84 ILE 84 84 84 ILE ILE A . n -A 1 85 ILE 85 85 85 ILE ILE A . n -A 1 86 GLY 86 86 86 GLY GLY A . n -A 1 87 ARG 87 87 87 ARG ARG A . n -A 1 88 ASN 88 88 88 ASN ASN A . n -A 1 89 LEU 89 89 89 LEU LEU A . n -A 1 90 LEU 90 90 90 LEU LEU A . n -A 1 91 THR 91 91 91 THR THR A . n -A 1 92 GLN 92 92 92 GLN GLN A . n -A 1 93 ILE 93 93 93 ILE ILE A . n -A 1 94 GLY 94 94 94 GLY GLY A . n -A 1 95 CYS 95 95 95 CYS CYS A . n -A 1 96 THR 96 96 96 THR THR A . n -A 1 97 LEU 97 97 97 LEU LEU A . n -A 1 98 ASN 98 98 98 ASN ASN A . n -A 1 99 PHE 99 99 99 PHE PHE A . n -B 1 1 PRO 1 1 1 PRO PRO B . n -B 1 2 GLN 2 2 2 GLN GLN B . n -B 1 3 ILE 3 3 3 ILE ILE B . n -B 1 4 THR 4 4 4 THR THR B . n -B 1 5 LEU 5 5 5 LEU LEU B . n -B 1 6 TRP 6 6 6 TRP TRP B . n -B 1 7 LYS 7 7 7 LYS LYS B . n -B 1 8 ARG 8 8 8 ARG ARG B . n -B 1 9 PRO 9 9 9 PRO PRO B . n -B 1 10 LEU 10 10 10 LEU LEU B . n -B 1 11 VAL 11 11 11 VAL VAL B . n -B 1 12 THR 12 12 12 THR THR B . n -B 1 13 ILE 13 13 13 ILE ILE B . n -B 1 14 ARG 14 14 14 ARG ARG B . n -B 1 15 ILE 15 15 15 ILE ILE B . n -B 1 16 GLY 16 16 16 GLY GLY B . n -B 1 17 GLY 17 17 17 GLY GLY B . n -B 1 18 GLN 18 18 18 GLN GLN B . n -B 1 19 LEU 19 19 19 LEU LEU B . n -B 1 20 LYS 20 20 20 LYS LYS B . n -B 1 21 GLU 21 21 21 GLU GLU B . n -B 1 22 ALA 22 22 22 ALA ALA B . n -B 1 23 LEU 23 23 23 LEU LEU B . n -B 1 24 LEU 24 24 24 LEU LEU B . n -B 1 25 ASP 25 25 25 ASP ASP B . n -B 1 26 THR 26 26 26 THR THR B . n -B 1 27 GLY 27 27 27 GLY GLY B . n -B 1 28 ALA 28 28 28 ALA ALA B . n -B 1 29 ASP 29 29 29 ASP ASP B . n -B 1 30 ASP 30 30 30 ASP ASP B . n -B 1 31 THR 31 31 31 THR THR B . n -B 1 32 VAL 32 32 32 VAL VAL B . n -B 1 33 LEU 33 33 33 LEU LEU B . n -B 1 34 GLU 34 34 34 GLU GLU B . n -B 1 35 GLU 35 35 35 GLU GLU B . n -B 1 36 MET 36 36 36 MET MET B . n -B 1 37 ASN 37 37 37 ASN ASN B . n -B 1 38 LEU 38 38 38 LEU LEU B . n -B 1 39 PRO 39 39 39 PRO PRO B . n -B 1 40 GLY 40 40 40 GLY GLY B . n -B 1 41 LYS 41 41 41 LYS LYS B . n -B 1 42 TRP 42 42 42 TRP TRP B . n -B 1 43 LYS 43 43 43 LYS LYS B . n -B 1 44 PRO 44 44 44 PRO PRO B . n -B 1 45 LYS 45 45 45 LYS LYS B . n -B 1 46 MET 46 46 46 MET MET B . n -B 1 47 ILE 47 47 47 ILE ILE B . n -B 1 48 GLY 48 48 48 GLY GLY B . n -B 1 49 GLY 49 49 49 GLY GLY B . n -B 1 50 ILE 50 50 50 ILE ILE B . n -B 1 51 GLY 51 51 51 GLY GLY B . n -B 1 52 GLY 52 52 52 GLY GLY B . n -B 1 53 PHE 53 53 53 PHE PHE B . n -B 1 54 ILE 54 54 54 ILE ILE B . n -B 1 55 LYS 55 55 55 LYS LYS B . n -B 1 56 VAL 56 56 56 VAL VAL B . n -B 1 57 ARG 57 57 57 ARG ARG B . n -B 1 58 GLN 58 58 58 GLN GLN B . n -B 1 59 TYR 59 59 59 TYR TYR B . n -B 1 60 ASP 60 60 60 ASP ASP B . n -B 1 61 GLN 61 61 61 GLN GLN B . n -B 1 62 ILE 62 62 62 ILE ILE B . n -B 1 63 PRO 63 63 63 PRO PRO B . n -B 1 64 VAL 64 64 64 VAL VAL B . n -B 1 65 GLU 65 65 65 GLU GLU B . n -B 1 66 ILE 66 66 66 ILE ILE B . n -B 1 67 CYS 67 67 67 CYS CYS B . n -B 1 68 GLY 68 68 68 GLY GLY B . n -B 1 69 HIS 69 69 69 HIS HIS B . n -B 1 70 LYS 70 70 70 LYS LYS B . n -B 1 71 ALA 71 71 71 ALA ALA B . n -B 1 72 ILE 72 72 72 ILE ILE B . n -B 1 73 GLY 73 73 73 GLY GLY B . n -B 1 74 THR 74 74 74 THR THR B . n -B 1 75 VAL 75 75 75 VAL VAL B . n -B 1 76 LEU 76 76 76 LEU LEU B . n -B 1 77 VAL 77 77 77 VAL VAL B . n -B 1 78 GLY 78 78 78 GLY GLY B . n -B 1 79 PRO 79 79 79 PRO PRO B . n -B 1 80 THR 80 80 80 THR THR B . n -B 1 81 PRO 81 81 81 PRO PRO B . n -B 1 82 VAL 82 82 82 VAL VAL B . n -B 1 83 ASN 83 83 83 ASN ASN B . n -B 1 84 ILE 84 84 84 ILE ILE B . n -B 1 85 ILE 85 85 85 ILE ILE B . n -B 1 86 GLY 86 86 86 GLY GLY B . n -B 1 87 ARG 87 87 87 ARG ARG B . n -B 1 88 ASN 88 88 88 ASN ASN B . n -B 1 89 LEU 89 89 89 LEU LEU B . n -B 1 90 LEU 90 90 90 LEU LEU B . n -B 1 91 THR 91 91 91 THR THR B . n -B 1 92 GLN 92 92 92 GLN GLN B . n -B 1 93 ILE 93 93 93 ILE ILE B . n -B 1 94 GLY 94 94 94 GLY GLY B . n -B 1 95 CYS 95 95 95 CYS CYS B . n -B 1 96 THR 96 96 96 THR THR B . n -B 1 97 LEU 97 97 97 LEU LEU B . n -B 1 98 ASN 98 98 98 ASN ASN B . n -B 1 99 PHE 99 99 99 PHE PHE B . n -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -X-PLOR 'model building' 2.0 ? 1 -X-PLOR refinement 2.0 ? 2 -# -loop_ -_pdbx_version.entry_id -_pdbx_version.revision_date -_pdbx_version.major_version -_pdbx_version.minor_version -_pdbx_version.revision_type -_pdbx_version.details -3AID 2008-03-03 3 2 'Version format compliance' 'compliance with PDB format V.3.15' -3AID 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -1 Y 0 1 A PHE 99 ? O ? -2 Y 0 1 A PHE 99 ? OXT ? -3 Y 0 1 B PHE 99 ? O ? -4 Y 0 1 B PHE 99 ? OXT ? -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details dimeric -_pdbx_struct_assembly.oligomeric_count 2 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,C,D,B,E -# -loop_ -_pdbx_struct_assembly_prop.biol_id -_pdbx_struct_assembly_prop.type -_pdbx_struct_assembly_prop.value -_pdbx_struct_assembly_prop.details -1 'ABSA (A^2)' 4910 ? -1 'SSA (A^2)' 9760 ? -1 MORE -18 ? -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 2 ARQ 1 401 401 ARQ ARQ A . -D 3 HOH 1 402 402 HOH HOH A . -D 3 HOH 2 403 403 HOH HOH A . -D 3 HOH 3 405 405 HOH HOH A . -D 3 HOH 4 406 406 HOH HOH A . -D 3 HOH 5 410 410 HOH HOH A . -E 3 HOH 1 407 407 HOH HOH B . -E 3 HOH 2 408 408 HOH HOH B . -E 3 HOH 3 409 409 HOH HOH B . -# -loop_ -_pdbx_validate_rmsd_angle.id -_pdbx_validate_rmsd_angle.PDB_model_num -_pdbx_validate_rmsd_angle.auth_atom_id_1 -_pdbx_validate_rmsd_angle.auth_asym_id_1 -_pdbx_validate_rmsd_angle.auth_comp_id_1 -_pdbx_validate_rmsd_angle.auth_seq_id_1 -_pdbx_validate_rmsd_angle.PDB_ins_code_1 -_pdbx_validate_rmsd_angle.label_alt_id_1 -_pdbx_validate_rmsd_angle.auth_atom_id_2 -_pdbx_validate_rmsd_angle.auth_asym_id_2 -_pdbx_validate_rmsd_angle.auth_comp_id_2 -_pdbx_validate_rmsd_angle.auth_seq_id_2 -_pdbx_validate_rmsd_angle.PDB_ins_code_2 -_pdbx_validate_rmsd_angle.label_alt_id_2 -_pdbx_validate_rmsd_angle.auth_atom_id_3 -_pdbx_validate_rmsd_angle.auth_asym_id_3 -_pdbx_validate_rmsd_angle.auth_comp_id_3 -_pdbx_validate_rmsd_angle.auth_seq_id_3 -_pdbx_validate_rmsd_angle.PDB_ins_code_3 -_pdbx_validate_rmsd_angle.label_alt_id_3 -_pdbx_validate_rmsd_angle.angle_deviation -1 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH1 A ARG 8 ? ? 3.6 -2 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH2 A ARG 8 ? ? -3.8 -3 1 C B GLY 16 ? ? N B GLY 17 ? ? CA B GLY 17 ? ? -13.0 -4 1 NE B ARG 87 ? ? CZ B ARG 87 ? ? NH1 B ARG 87 ? ? 3.0 -# -_pdbx_validate_torsion.id 1 -_pdbx_validate_torsion.PDB_model_num 1 -_pdbx_validate_torsion.auth_comp_id GLU -_pdbx_validate_torsion.auth_asym_id A -_pdbx_validate_torsion.auth_seq_id 35 -_pdbx_validate_torsion.PDB_ins_code ? -_pdbx_validate_torsion.phi -41.76 -_pdbx_validate_torsion.psi 108.21 -# -loop_ -_pdbx_validate_peptide_omega.id -_pdbx_validate_peptide_omega.PDB_model_num -_pdbx_validate_peptide_omega.auth_comp_id_1 -_pdbx_validate_peptide_omega.auth_asym_id_1 -_pdbx_validate_peptide_omega.auth_seq_id_1 -_pdbx_validate_peptide_omega.PDB_ins_code_1 -_pdbx_validate_peptide_omega.auth_comp_id_2 -_pdbx_validate_peptide_omega.auth_asym_id_2 -_pdbx_validate_peptide_omega.auth_seq_id_2 -_pdbx_validate_peptide_omega.PDB_ins_code_2 -_pdbx_validate_peptide_omega.omega -1 1 PRO B 1 ? GLN B 2 ? 131.857 -2 1 ASN B 98 ? PHE B 99 ? -122.454 -# -loop_ -_pdbx_validate_chiral.id -_pdbx_validate_chiral.PDB_model_num -_pdbx_validate_chiral.auth_comp_id -_pdbx_validate_chiral.auth_asym_id -_pdbx_validate_chiral.auth_seq_id -_pdbx_validate_chiral.PDB_ins_code -_pdbx_validate_chiral.details -_pdbx_validate_chiral.omega -1 1 PRO A 1 ? 'Expecting L Found D WRONG HAND' -20.210 -2 1 ILE A 50 ? 'Expecting L Found L OUTSIDE RANGE' 21.813 -3 1 GLN A 61 ? 'Expecting L Found L OUTSIDE RANGE' 23.281 -4 1 VAL A 64 ? 'Expecting L Found L OUTSIDE RANGE' 22.866 -5 1 PRO B 1 ? 'Expecting L Found D WRONG HAND' -25.807 -6 1 LYS B 7 ? 'Expecting L Found L OUTSIDE RANGE' 23.439 -7 1 GLN B 61 ? 'Expecting L Found L OUTSIDE RANGE' 23.530 -8 1 VAL B 77 ? 'Expecting L Found L OUTSIDE RANGE' 24.832 -9 1 PHE B 99 ? 'Expecting L Found D WRONG HAND' -21.536 -# -loop_ -_pdbx_validate_planes.id -_pdbx_validate_planes.PDB_model_num -_pdbx_validate_planes.auth_comp_id -_pdbx_validate_planes.auth_asym_id -_pdbx_validate_planes.auth_seq_id -_pdbx_validate_planes.PDB_ins_code -_pdbx_validate_planes.rmsd -_pdbx_validate_planes.type -1 1 ARG A 87 ? 0.198 'SIDE CHAIN' -2 1 ARG B 87 ? 0.130 'SIDE CHAIN' -# -loop_ -_pdbx_entity_nonpoly.entity_id -_pdbx_entity_nonpoly.name -_pdbx_entity_nonpoly.comp_id -2 'BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM' ARQ -3 water HOH -# diff --git a/moldesign/_tests/data/3aid.cif.bz2 b/moldesign/_tests/data/3aid.cif.bz2 new file mode 100644 index 0000000..d44944e Binary files /dev/null and b/moldesign/_tests/data/3aid.cif.bz2 differ diff --git a/moldesign/_tests/data/3aid.pdb b/moldesign/_tests/data/3aid.pdb deleted file mode 100644 index 821fd19..0000000 --- a/moldesign/_tests/data/3aid.pdb +++ /dev/null @@ -1,2354 +0,0 @@ -HEADER ASPARTYL PROTEASE 15-MAY-97 3AID -TITLE A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE -TITLE 2 CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND CHEMICAL -TITLE 3 SYNTHESIS OF AN AMINIMIDE PEPTIDE ISOSTERE -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: HUMAN IMMUNODEFICIENCY VIRUS PROTEASE; -COMPND 3 CHAIN: A, B; -COMPND 4 SYNONYM: HIV PROTEASE, HIV PR; -COMPND 5 EC: 3.4.23.16; -COMPND 6 ENGINEERED: YES; -COMPND 7 MUTATION: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; -SOURCE 3 ORGANISM_TAXID: 11676; -SOURCE 4 VARIANT: SF1 ISOLATE; -SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS ASPARTYL PROTEASE, PROTEASE, HIV, PEPTIDE ISOSTERE -KEYWDS 2 INHIBITOR, DRUG DESIGN -EXPDTA X-RAY DIFFRACTION -AUTHOR E.E.RUTENBER,R.M.STROUD -REVDAT 3 24-FEB-09 3AID 1 VERSN -REVDAT 2 01-APR-03 3AID 1 JRNL -REVDAT 1 17-SEP-97 3AID 0 -JRNL AUTH E.E.RUTENBER,F.MCPHEE,A.P.KAPLAN,S.L.GALLION, -JRNL AUTH 2 J.C.HOGAN JR.,C.S.CRAIK,R.M.STROUD -JRNL TITL A NEW CLASS OF HIV-1 PROTEASE INHIBITOR: THE -JRNL TITL 2 CRYSTALLOGRAPHIC STRUCTURE, INHIBITION AND -JRNL TITL 3 CHEMICAL SYNTHESIS OF AN AMINIMIDE PEPTIDE -JRNL TITL 4 ISOSTERE. -JRNL REF BIOORG.MED.CHEM. V. 4 1545 1996 -JRNL REFN ISSN 0968-0896 -JRNL PMID 8894111 -JRNL DOI 10.1016/0968-0896(96)00147-2 -REMARK 1 -REMARK 2 -REMARK 2 RESOLUTION. 2.50 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR 2.0 -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL -REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 88.0 -REMARK 3 NUMBER OF REFLECTIONS : 6864 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING SET) : 0.180 -REMARK 3 FREE R VALUE : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : NULL -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL -REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL -REMARK 3 BIN R VALUE (WORKING SET) : NULL -REMARK 3 BIN FREE R VALUE : NULL -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL -REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 1846 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 42 -REMARK 3 SOLVENT ATOMS : 24 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM SIGMAA (A) : NULL -REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL -REMARK 3 ESD FROM C-V SIGMAA (A) : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.021 -REMARK 3 BOND ANGLES (DEGREES) : 3.50 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 30.10 -REMARK 3 IMPROPER ANGLES (DEGREES) : 16.40 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : 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 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : PARAM19X.PRO -REMARK 3 PARAMETER FILE 2 : NULL -REMARK 3 PARAMETER FILE 3 : NULL -REMARK 3 TOPOLOGY FILE 1 : TOPH19X.PRO -REMARK 3 TOPOLOGY FILE 2 : NULL -REMARK 3 TOPOLOGY FILE 3 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 3AID COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : JAN-95 -REMARK 200 TEMPERATURE (KELVIN) : 287 -REMARK 200 PH : 5.4 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : N -REMARK 200 RADIATION SOURCE : ROTATING ANODE -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH3R -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : GRAPHITE(002) -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : AREA DETECTOR -REMARK 200 DETECTOR MANUFACTURER : SIEMENS -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SIEMENS -REMARK 200 DATA SCALING SOFTWARE : SIEMENS -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14215 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 -REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 87.0 -REMARK 200 DATA REDUNDANCY : 2.200 -REMARK 200 R MERGE (I) : 0.08100 -REMARK 200 R SYM (I) : 0.08100 -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL -REMARK 200 COMPLETENESS FOR SHELL (%) : NULL -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: X-PLOR 2.0 -REMARK 200 STARTING MODEL: PDB ENTRY 3HVP -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 48.04 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: PH 5.4 -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.55000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 31.60000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.50000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 31.60000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.55000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.50000 -REMARK 290 SMTRY3 4 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 TOTAL BURIED SURFACE AREA: 4910 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 9760 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -18.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 480 -REMARK 480 ZERO OCCUPANCY ATOM -REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO -REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS -REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; -REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 480 M RES C SSEQI ATOMS -REMARK 480 PHE A 99 O OXT -REMARK 480 PHE B 99 O OXT -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES -REMARK 500 ARG A 8 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES -REMARK 500 GLY B 17 C - N - CA ANGL. DEV. = -13.0 DEGREES -REMARK 500 ARG B 87 NE - CZ - NH1 ANGL. DEV. = 3.0 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 GLU A 35 108.21 -41.76 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS -REMARK 500 -REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH -REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED -REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND -REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. -REMARK 500 MODEL OMEGA -REMARK 500 PRO B 1 GLN B 2 131.86 -REMARK 500 ASN B 98 PHE B 99 -122.45 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 ARG A 87 0.20 SIDE_CHAIN -REMARK 500 ARG B 87 0.13 SIDE_CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CHIRAL CENTERS -REMARK 500 -REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL -REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY -REMARK 500 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: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) -REMARK 500 -REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS -REMARK 500 PRO A 1 144.2 ALPHA-CARBON -REMARK 500 PRO B 1 137.7 ALPHA-CARBON -REMARK 500 PHE B 99 141.9 ALPHA-CARBON -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARQ A 401 -DBREF 3AID A 1 99 UNP P03369 POL_HV1A2 57 155 -DBREF 3AID B 1 99 UNP P03369 POL_HV1A2 57 155 -SEQADV 3AID LYS A 7 UNP P03369 GLN 63 ENGINEERED -SEQADV 3AID LYS B 7 UNP P03369 GLN 63 ENGINEERED -SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE -SEQRES 2 A 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR -SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO -SEQRES 4 A 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY -SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO VAL GLU -SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY -SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR -SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE -SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE -SEQRES 2 B 99 ARG ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR -SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO -SEQRES 4 B 99 GLY LYS TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY -SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE PRO VAL GLU -SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY -SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR -SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE -HET ARQ A 401 42 -HETNAM ARQ BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL- -HETNAM 2 ARQ ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM -FORMUL 3 ARQ C30 H38 N3 O4 1+ -FORMUL 4 HOH *8(H2 O) -HELIX 1 1 ARG A 87 LEU A 90 1 4 -HELIX 2 2 ARG B 87 LEU B 90 1 4 -SHEET 1 A 4 GLN A 18 LEU A 23 0 -SHEET 2 A 4 LEU A 10 ILE A 15 -1 N ILE A 15 O GLN A 18 -SHEET 3 A 4 ILE A 62 ILE A 66 -1 N GLU A 65 O ARG A 14 -SHEET 4 A 4 HIS A 69 GLY A 73 -1 N GLY A 73 O ILE A 62 -SHEET 1 B 3 LYS A 43 GLY A 49 0 -SHEET 2 B 3 GLY A 52 TYR A 59 -1 N GLN A 58 O LYS A 43 -SHEET 3 B 3 VAL A 75 GLY A 78 -1 N VAL A 77 O ARG A 57 -SHEET 1 C 2 THR A 96 ASN A 98 0 -SHEET 2 C 2 THR B 96 ASN B 98 -1 N ASN B 98 O THR A 96 -SHEET 1 D 2 LEU B 10 ILE B 15 0 -SHEET 2 D 2 GLN B 18 LEU B 23 -1 N ALA B 22 O VAL B 11 -SHEET 1 E 3 TRP B 42 GLY B 49 0 -SHEET 2 E 3 GLY B 52 TYR B 59 -1 N GLN B 58 O LYS B 43 -SHEET 3 E 3 VAL B 75 GLY B 78 -1 N VAL B 77 O ARG B 57 -SHEET 1 F 2 ILE B 62 ILE B 66 0 -SHEET 2 F 2 HIS B 69 GLY B 73 -1 N GLY B 73 O ILE B 62 -SITE 1 AC1 10 ASP A 25 GLY A 27 ALA A 28 ILE A 50 -SITE 2 AC1 10 HOH A 402 LEU B 23 ASP B 25 GLY B 27 -SITE 3 AC1 10 GLY B 49 ILE B 50 -CRYST1 53.100 61.000 63.200 90.00 90.00 90.00 P 21 21 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 0.018832 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.016393 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.015823 0.00000 -ATOM 1 N PRO A 1 -2.555 9.253 34.411 1.00 30.60 N -ATOM 2 CA PRO A 1 -1.620 8.250 33.848 1.00 28.31 C -ATOM 3 C PRO A 1 -0.108 8.328 33.944 1.00 23.58 C -ATOM 4 O PRO A 1 0.501 8.910 33.067 1.00 29.57 O -ATOM 5 CB PRO A 1 -2.238 6.879 33.989 1.00 28.94 C -ATOM 6 CG PRO A 1 -3.624 7.314 33.540 1.00 32.55 C -ATOM 7 CD PRO A 1 -3.859 8.575 34.395 1.00 34.64 C -ATOM 8 H2 PRO A 1 -2.308 9.752 35.280 0.00 0.00 H -ATOM 9 H3 PRO A 1 -2.623 10.035 33.697 0.00 0.00 H -ATOM 10 N GLN A 2 0.519 7.674 34.926 1.00 20.68 N -ATOM 11 CA GLN A 2 1.942 7.366 34.601 1.00 22.20 C -ATOM 12 C GLN A 2 2.286 5.899 34.319 1.00 22.20 C -ATOM 13 O GLN A 2 2.239 5.053 35.212 1.00 24.91 O -ATOM 14 CB GLN A 2 3.002 7.941 35.586 1.00 22.73 C -ATOM 15 CG GLN A 2 4.462 7.592 35.145 1.00 23.29 C -ATOM 16 CD GLN A 2 5.541 8.058 36.132 1.00 23.86 C -ATOM 17 OE1 GLN A 2 6.166 9.080 35.963 1.00 21.61 O -ATOM 18 NE2 GLN A 2 5.815 7.280 37.164 1.00 21.66 N -ATOM 19 H GLN A 2 0.038 7.260 35.695 1.00 15.00 H -ATOM 20 HE21 GLN A 2 6.517 7.687 37.741 1.00 15.00 H -ATOM 21 HE22 GLN A 2 5.386 6.401 37.335 1.00 15.00 H -ATOM 22 N ILE A 3 2.606 5.658 33.030 1.00 18.27 N -ATOM 23 CA ILE A 3 2.930 4.304 32.526 1.00 14.22 C -ATOM 24 C ILE A 3 4.436 4.069 32.273 1.00 15.16 C -ATOM 25 O ILE A 3 5.020 4.591 31.332 1.00 20.12 O -ATOM 26 CB ILE A 3 2.076 3.977 31.276 1.00 8.81 C -ATOM 27 CG1 ILE A 3 0.614 4.286 31.565 1.00 6.38 C -ATOM 28 CG2 ILE A 3 2.170 2.509 30.873 1.00 3.08 C -ATOM 29 CD1 ILE A 3 -0.351 3.719 30.518 1.00 10.97 C -ATOM 30 H ILE A 3 2.634 6.454 32.436 1.00 15.00 H -ATOM 31 N THR A 4 5.050 3.270 33.166 1.00 10.39 N -ATOM 32 CA THR A 4 6.416 2.743 32.935 1.00 10.00 C -ATOM 33 C THR A 4 6.599 1.452 32.068 1.00 11.66 C -ATOM 34 O THR A 4 5.793 0.527 32.112 1.00 15.69 O -ATOM 35 CB THR A 4 7.056 2.437 34.248 1.00 4.39 C -ATOM 36 OG1 THR A 4 6.473 1.231 34.804 1.00 5.25 O -ATOM 37 CG2 THR A 4 6.920 3.635 35.165 1.00 2.00 C -ATOM 38 H THR A 4 4.492 2.965 33.935 1.00 15.00 H -ATOM 39 HG1 THR A 4 5.929 0.815 34.136 1.00 15.00 H -ATOM 40 N LEU A 5 7.715 1.398 31.321 1.00 8.84 N -ATOM 41 CA LEU A 5 7.870 0.420 30.235 1.00 7.65 C -ATOM 42 C LEU A 5 8.606 -0.903 30.466 1.00 8.47 C -ATOM 43 O LEU A 5 9.134 -1.511 29.545 1.00 9.06 O -ATOM 44 CB LEU A 5 8.534 1.094 29.034 1.00 6.66 C -ATOM 45 CG LEU A 5 7.818 2.230 28.311 1.00 9.11 C -ATOM 46 CD1 LEU A 5 6.305 2.030 28.315 1.00 10.52 C -ATOM 47 CD2 LEU A 5 8.236 3.611 28.775 1.00 10.50 C -ATOM 48 H LEU A 5 8.405 2.109 31.468 1.00 15.00 H -ATOM 49 N TRP A 6 8.646 -1.381 31.725 1.00 13.00 N -ATOM 50 CA TRP A 6 9.213 -2.750 31.877 1.00 14.24 C -ATOM 51 C TRP A 6 8.280 -3.867 31.412 1.00 14.81 C -ATOM 52 O TRP A 6 8.651 -5.001 31.168 1.00 16.96 O -ATOM 53 CB TRP A 6 9.687 -3.124 33.289 1.00 14.28 C -ATOM 54 CG TRP A 6 10.074 -1.910 34.088 1.00 20.68 C -ATOM 55 CD1 TRP A 6 9.182 -1.145 34.863 1.00 27.93 C -ATOM 56 CD2 TRP A 6 11.333 -1.208 34.201 1.00 21.72 C -ATOM 57 NE1 TRP A 6 9.777 -0.041 35.406 1.00 26.52 N -ATOM 58 CE2 TRP A 6 11.101 -0.027 35.017 1.00 22.61 C -ATOM 59 CE3 TRP A 6 12.617 -1.473 33.714 1.00 16.16 C -ATOM 60 CZ2 TRP A 6 12.128 0.887 35.290 1.00 20.31 C -ATOM 61 CZ3 TRP A 6 13.644 -0.553 34.018 1.00 17.45 C -ATOM 62 CH2 TRP A 6 13.406 0.616 34.778 1.00 18.71 C -ATOM 63 H TRP A 6 8.228 -0.834 32.447 1.00 15.00 H -ATOM 64 HE1 TRP A 6 9.317 0.632 35.960 1.00 15.00 H -ATOM 65 N LYS A 7 7.017 -3.454 31.284 1.00 12.93 N -ATOM 66 CA LYS A 7 5.990 -4.250 30.643 1.00 9.56 C -ATOM 67 C LYS A 7 5.420 -3.525 29.460 1.00 11.55 C -ATOM 68 O LYS A 7 5.478 -2.299 29.399 1.00 12.41 O -ATOM 69 CB LYS A 7 4.841 -4.432 31.607 1.00 18.71 C -ATOM 70 CG LYS A 7 5.137 -5.278 32.839 1.00 28.83 C -ATOM 71 CD LYS A 7 3.948 -5.219 33.795 1.00 36.81 C -ATOM 72 CE LYS A 7 4.209 -5.975 35.117 1.00 43.42 C -ATOM 73 NZ LYS A 7 3.160 -5.652 36.107 1.00 42.34 N -ATOM 74 H LYS A 7 6.799 -2.518 31.545 1.00 15.00 H -ATOM 75 HZ1 LYS A 7 2.887 -4.655 35.991 1.00 15.00 H -ATOM 76 HZ2 LYS A 7 2.331 -6.260 35.944 1.00 15.00 H -ATOM 77 HZ3 LYS A 7 3.527 -5.810 37.067 1.00 15.00 H -ATOM 78 N ARG A 8 4.801 -4.305 28.535 1.00 12.42 N -ATOM 79 CA ARG A 8 4.091 -3.587 27.449 1.00 10.97 C -ATOM 80 C ARG A 8 3.003 -2.612 27.887 1.00 11.55 C -ATOM 81 O ARG A 8 2.184 -2.938 28.746 1.00 13.27 O -ATOM 82 CB ARG A 8 3.384 -4.517 26.488 1.00 9.39 C -ATOM 83 CG ARG A 8 4.144 -5.748 26.107 1.00 6.80 C -ATOM 84 CD ARG A 8 3.297 -6.581 25.184 1.00 12.73 C -ATOM 85 NE ARG A 8 4.151 -7.669 24.790 1.00 28.15 N -ATOM 86 CZ ARG A 8 4.343 -8.083 23.521 1.00 36.60 C -ATOM 87 NH1 ARG A 8 3.598 -7.690 22.490 1.00 33.53 N -ATOM 88 NH2 ARG A 8 5.334 -8.947 23.322 1.00 45.16 N -ATOM 89 H ARG A 8 4.761 -5.287 28.694 1.00 15.00 H -ATOM 90 HE ARG A 8 4.684 -8.129 25.500 1.00 15.00 H -ATOM 91 HH11 ARG A 8 2.832 -7.063 22.626 1.00 15.00 H -ATOM 92 HH12 ARG A 8 3.812 -8.029 21.574 1.00 15.00 H -ATOM 93 HH21 ARG A 8 5.883 -9.253 24.101 1.00 15.00 H -ATOM 94 HH22 ARG A 8 5.536 -9.289 22.407 1.00 15.00 H -ATOM 95 N PRO A 9 2.957 -1.418 27.265 1.00 10.22 N -ATOM 96 CA PRO A 9 1.838 -0.522 27.644 1.00 9.31 C -ATOM 97 C PRO A 9 0.443 -0.973 27.113 1.00 9.47 C -ATOM 98 O PRO A 9 -0.016 -0.531 26.071 1.00 12.70 O -ATOM 99 CB PRO A 9 2.350 0.830 27.118 1.00 7.49 C -ATOM 100 CG PRO A 9 3.309 0.489 25.949 1.00 10.39 C -ATOM 101 CD PRO A 9 3.886 -0.881 26.272 1.00 7.83 C -ATOM 102 N LEU A 10 -0.222 -1.893 27.855 1.00 10.28 N -ATOM 103 CA LEU A 10 -1.555 -2.420 27.472 1.00 5.59 C -ATOM 104 C LEU A 10 -2.725 -1.865 28.254 1.00 6.30 C -ATOM 105 O LEU A 10 -2.737 -1.938 29.472 1.00 9.79 O -ATOM 106 CB LEU A 10 -1.653 -3.892 27.745 1.00 2.00 C -ATOM 107 CG LEU A 10 -1.056 -4.838 26.734 1.00 2.00 C -ATOM 108 CD1 LEU A 10 -1.127 -6.225 27.327 1.00 2.00 C -ATOM 109 CD2 LEU A 10 -1.725 -4.792 25.361 1.00 2.00 C -ATOM 110 H LEU A 10 0.241 -2.213 28.683 1.00 15.00 H -ATOM 111 N VAL A 11 -3.701 -1.304 27.534 1.00 8.40 N -ATOM 112 CA VAL A 11 -4.916 -0.688 28.141 1.00 13.91 C -ATOM 113 C VAL A 11 -6.236 -1.349 27.788 1.00 13.86 C -ATOM 114 O VAL A 11 -6.351 -2.140 26.860 1.00 17.89 O -ATOM 115 CB VAL A 11 -5.114 0.850 27.856 1.00 12.10 C -ATOM 116 CG1 VAL A 11 -4.279 1.777 28.747 1.00 7.44 C -ATOM 117 CG2 VAL A 11 -5.022 1.221 26.378 1.00 11.10 C -ATOM 118 H VAL A 11 -3.481 -1.176 26.579 1.00 15.00 H -ATOM 119 N THR A 12 -7.266 -0.967 28.535 1.00 10.31 N -ATOM 120 CA THR A 12 -8.564 -1.409 28.023 1.00 10.43 C -ATOM 121 C THR A 12 -9.308 -0.344 27.224 1.00 11.24 C -ATOM 122 O THR A 12 -9.366 0.823 27.604 1.00 10.44 O -ATOM 123 CB THR A 12 -9.457 -1.922 29.145 1.00 12.18 C -ATOM 124 OG1 THR A 12 -8.702 -2.710 30.069 1.00 17.40 O -ATOM 125 CG2 THR A 12 -10.631 -2.754 28.609 1.00 17.57 C -ATOM 126 H THR A 12 -7.147 -0.445 29.378 1.00 15.00 H -ATOM 127 HG1 THR A 12 -8.439 -3.503 29.623 1.00 15.00 H -ATOM 128 N ILE A 13 -9.871 -0.754 26.084 1.00 9.17 N -ATOM 129 CA ILE A 13 -10.756 0.212 25.415 1.00 12.06 C -ATOM 130 C ILE A 13 -12.234 -0.216 25.366 1.00 10.83 C -ATOM 131 O ILE A 13 -12.538 -1.399 25.368 1.00 9.79 O -ATOM 132 CB ILE A 13 -10.210 0.567 24.013 1.00 12.82 C -ATOM 133 CG1 ILE A 13 -10.268 -0.673 23.102 1.00 13.26 C -ATOM 134 CG2 ILE A 13 -8.775 1.089 24.152 1.00 10.61 C -ATOM 135 CD1 ILE A 13 -9.741 -0.448 21.680 1.00 8.04 C -ATOM 136 H ILE A 13 -9.726 -1.672 25.742 1.00 15.00 H -ATOM 137 N ARG A 14 -13.131 0.779 25.310 1.00 11.30 N -ATOM 138 CA ARG A 14 -14.522 0.471 24.896 1.00 12.92 C -ATOM 139 C ARG A 14 -15.041 1.080 23.583 1.00 10.44 C -ATOM 140 O ARG A 14 -15.093 2.293 23.409 1.00 7.41 O -ATOM 141 CB ARG A 14 -15.504 0.807 26.012 1.00 14.22 C -ATOM 142 CG ARG A 14 -16.864 0.177 25.793 1.00 17.00 C -ATOM 143 CD ARG A 14 -17.694 0.101 27.077 1.00 26.96 C -ATOM 144 NE ARG A 14 -18.008 1.437 27.592 1.00 36.17 N -ATOM 145 CZ ARG A 14 -19.298 1.876 27.717 1.00 37.70 C -ATOM 146 NH1 ARG A 14 -20.333 1.094 27.387 1.00 32.95 N -ATOM 147 NH2 ARG A 14 -19.525 3.107 28.183 1.00 36.64 N -ATOM 148 H ARG A 14 -12.790 1.708 25.451 1.00 15.00 H -ATOM 149 HE ARG A 14 -17.264 2.048 27.861 1.00 15.00 H -ATOM 150 HH11 ARG A 14 -20.172 0.168 27.046 1.00 15.00 H -ATOM 151 HH12 ARG A 14 -21.270 1.431 27.484 1.00 15.00 H -ATOM 152 HH21 ARG A 14 -18.757 3.696 28.432 1.00 15.00 H -ATOM 153 HH22 ARG A 14 -20.463 3.436 28.281 1.00 15.00 H -ATOM 154 N ILE A 15 -15.430 0.176 22.675 1.00 12.87 N -ATOM 155 CA ILE A 15 -15.898 0.493 21.290 1.00 15.53 C -ATOM 156 C ILE A 15 -17.205 -0.298 20.877 1.00 18.97 C -ATOM 157 O ILE A 15 -17.352 -1.513 21.048 1.00 18.58 O -ATOM 158 CB ILE A 15 -14.683 0.289 20.287 1.00 11.75 C -ATOM 159 CG1 ILE A 15 -14.865 0.767 18.845 1.00 16.54 C -ATOM 160 CG2 ILE A 15 -14.203 -1.165 20.176 1.00 8.01 C -ATOM 161 CD1 ILE A 15 -13.597 0.580 17.968 1.00 8.82 C -ATOM 162 H ILE A 15 -15.304 -0.768 22.981 1.00 15.00 H -ATOM 163 N GLY A 16 -18.222 0.426 20.372 1.00 17.76 N -ATOM 164 CA GLY A 16 -19.516 -0.259 20.088 1.00 19.38 C -ATOM 165 C GLY A 16 -20.301 -1.000 21.233 1.00 24.46 C -ATOM 166 O GLY A 16 -20.991 -1.996 21.018 1.00 24.31 O -ATOM 167 H GLY A 16 -18.033 1.383 20.158 1.00 15.00 H -ATOM 168 N GLY A 17 -20.087 -0.491 22.484 1.00 24.55 N -ATOM 169 CA GLY A 17 -20.430 -1.299 23.661 1.00 24.34 C -ATOM 170 C GLY A 17 -19.445 -2.433 24.070 1.00 27.45 C -ATOM 171 O GLY A 17 -19.508 -2.983 25.156 1.00 29.91 O -ATOM 172 H GLY A 17 -19.559 0.351 22.553 1.00 15.00 H -ATOM 173 N GLN A 18 -18.495 -2.765 23.170 1.00 26.11 N -ATOM 174 CA GLN A 18 -17.478 -3.803 23.456 1.00 20.99 C -ATOM 175 C GLN A 18 -16.203 -3.371 24.218 1.00 15.25 C -ATOM 176 O GLN A 18 -15.635 -2.312 23.997 1.00 11.39 O -ATOM 177 CB GLN A 18 -17.005 -4.489 22.166 1.00 23.80 C -ATOM 178 CG GLN A 18 -18.029 -4.623 21.041 1.00 32.40 C -ATOM 179 CD GLN A 18 -19.152 -5.530 21.478 1.00 38.02 C -ATOM 180 OE1 GLN A 18 -18.938 -6.689 21.796 1.00 37.03 O -ATOM 181 NE2 GLN A 18 -20.364 -4.962 21.485 1.00 39.34 N -ATOM 182 H GLN A 18 -18.474 -2.254 22.318 1.00 15.00 H -ATOM 183 HE21 GLN A 18 -21.093 -5.567 21.790 1.00 15.00 H -ATOM 184 HE22 GLN A 18 -20.563 -4.026 21.197 1.00 15.00 H -ATOM 185 N LEU A 19 -15.782 -4.293 25.086 1.00 11.19 N -ATOM 186 CA LEU A 19 -14.556 -4.231 25.893 1.00 13.09 C -ATOM 187 C LEU A 19 -13.336 -5.013 25.346 1.00 15.36 C -ATOM 188 O LEU A 19 -13.250 -6.240 25.418 1.00 17.95 O -ATOM 189 CB LEU A 19 -14.906 -4.687 27.338 1.00 11.59 C -ATOM 190 CG LEU A 19 -14.624 -3.661 28.457 1.00 12.93 C -ATOM 191 CD1 LEU A 19 -14.946 -2.235 28.030 1.00 11.72 C -ATOM 192 CD2 LEU A 19 -15.342 -3.985 29.758 1.00 11.09 C -ATOM 193 H LEU A 19 -16.371 -5.096 25.148 1.00 15.00 H -ATOM 194 N LYS A 20 -12.370 -4.247 24.790 1.00 14.09 N -ATOM 195 CA LYS A 20 -11.142 -4.882 24.258 1.00 14.64 C -ATOM 196 C LYS A 20 -9.802 -4.451 24.908 1.00 14.53 C -ATOM 197 O LYS A 20 -9.642 -3.401 25.505 1.00 12.98 O -ATOM 198 CB LYS A 20 -11.043 -4.676 22.726 1.00 17.47 C -ATOM 199 CG LYS A 20 -12.017 -5.389 21.788 1.00 19.14 C -ATOM 200 CD LYS A 20 -11.772 -5.048 20.311 1.00 24.53 C -ATOM 201 CE LYS A 20 -11.560 -6.280 19.383 1.00 29.82 C -ATOM 202 NZ LYS A 20 -11.034 -5.893 18.044 1.00 29.67 N -ATOM 203 H LYS A 20 -12.518 -3.255 24.813 1.00 15.00 H -ATOM 204 HZ1 LYS A 20 -11.563 -5.071 17.687 1.00 15.00 H -ATOM 205 HZ2 LYS A 20 -10.029 -5.641 18.136 1.00 15.00 H -ATOM 206 HZ3 LYS A 20 -11.132 -6.685 17.378 1.00 15.00 H -ATOM 207 N GLU A 21 -8.793 -5.297 24.735 1.00 17.16 N -ATOM 208 CA GLU A 21 -7.435 -4.835 25.101 1.00 19.20 C -ATOM 209 C GLU A 21 -6.558 -4.227 23.984 1.00 16.65 C -ATOM 210 O GLU A 21 -6.418 -4.773 22.892 1.00 14.72 O -ATOM 211 CB GLU A 21 -6.673 -5.991 25.757 1.00 27.98 C -ATOM 212 CG GLU A 21 -5.828 -5.575 26.971 1.00 36.72 C -ATOM 213 CD GLU A 21 -6.619 -5.622 28.289 1.00 40.40 C -ATOM 214 OE1 GLU A 21 -7.802 -5.261 28.334 1.00 40.04 O -ATOM 215 OE2 GLU A 21 -6.026 -6.027 29.287 1.00 43.31 O -ATOM 216 H GLU A 21 -8.967 -6.156 24.259 1.00 15.00 H -ATOM 217 N ALA A 22 -5.972 -3.066 24.276 1.00 14.75 N -ATOM 218 CA ALA A 22 -5.100 -2.434 23.260 1.00 11.83 C -ATOM 219 C ALA A 22 -3.705 -1.932 23.759 1.00 9.55 C -ATOM 220 O ALA A 22 -3.453 -1.775 24.948 1.00 7.28 O -ATOM 221 CB ALA A 22 -5.865 -1.280 22.617 1.00 11.78 C -ATOM 222 H ALA A 22 -6.107 -2.677 25.179 1.00 15.00 H -ATOM 223 N LEU A 23 -2.787 -1.711 22.805 1.00 5.96 N -ATOM 224 CA LEU A 23 -1.397 -1.289 23.114 1.00 4.12 C -ATOM 225 C LEU A 23 -1.118 0.146 22.698 1.00 2.00 C -ATOM 226 O LEU A 23 -1.441 0.552 21.586 1.00 2.00 O -ATOM 227 CB LEU A 23 -0.438 -2.253 22.366 1.00 4.90 C -ATOM 228 CG LEU A 23 1.083 -2.186 22.476 1.00 2.00 C -ATOM 229 CD1 LEU A 23 1.571 -2.706 23.809 1.00 7.34 C -ATOM 230 CD2 LEU A 23 1.744 -3.023 21.405 1.00 3.18 C -ATOM 231 H LEU A 23 -3.068 -1.872 21.862 1.00 15.00 H -ATOM 232 N LEU A 24 -0.537 0.896 23.624 1.00 2.00 N -ATOM 233 CA LEU A 24 -0.196 2.267 23.300 1.00 2.00 C -ATOM 234 C LEU A 24 1.124 2.367 22.612 1.00 3.88 C -ATOM 235 O LEU A 24 2.176 2.052 23.152 1.00 6.52 O -ATOM 236 CB LEU A 24 -0.090 3.152 24.536 1.00 9.50 C -ATOM 237 CG LEU A 24 -1.255 3.055 25.535 1.00 15.22 C -ATOM 238 CD1 LEU A 24 -0.973 3.913 26.770 1.00 12.11 C -ATOM 239 CD2 LEU A 24 -2.622 3.353 24.899 1.00 12.26 C -ATOM 240 H LEU A 24 -0.281 0.454 24.486 1.00 15.00 H -ATOM 241 N ASP A 25 1.038 2.790 21.357 1.00 7.69 N -ATOM 242 CA ASP A 25 2.150 2.485 20.441 1.00 7.59 C -ATOM 243 C ASP A 25 2.638 3.731 19.715 1.00 7.44 C -ATOM 244 O ASP A 25 2.305 3.987 18.574 1.00 8.42 O -ATOM 245 CB ASP A 25 1.693 1.332 19.491 1.00 10.29 C -ATOM 246 CG ASP A 25 2.634 0.934 18.354 1.00 14.25 C -ATOM 247 OD1 ASP A 25 3.520 1.687 17.966 1.00 15.67 O -ATOM 248 OD2 ASP A 25 2.465 -0.161 17.838 1.00 16.99 O -ATOM 249 H ASP A 25 0.142 3.095 21.017 1.00 15.00 H -ATOM 250 N THR A 26 3.487 4.495 20.404 1.00 5.41 N -ATOM 251 CA THR A 26 3.974 5.754 19.819 1.00 2.13 C -ATOM 252 C THR A 26 4.681 5.739 18.455 1.00 2.64 C -ATOM 253 O THR A 26 4.739 6.713 17.725 1.00 4.71 O -ATOM 254 CB THR A 26 4.908 6.402 20.819 1.00 3.16 C -ATOM 255 OG1 THR A 26 6.075 5.582 21.010 1.00 10.74 O -ATOM 256 CG2 THR A 26 4.172 6.524 22.144 1.00 6.50 C -ATOM 257 H THR A 26 3.761 4.193 21.320 1.00 15.00 H -ATOM 258 HG1 THR A 26 6.833 6.097 20.712 1.00 15.00 H -ATOM 259 N GLY A 27 5.240 4.582 18.101 1.00 3.99 N -ATOM 260 CA GLY A 27 5.764 4.489 16.717 1.00 5.22 C -ATOM 261 C GLY A 27 4.807 4.080 15.556 1.00 4.61 C -ATOM 262 O GLY A 27 5.169 3.927 14.399 1.00 3.35 O -ATOM 263 H GLY A 27 5.207 3.817 18.736 1.00 15.00 H -ATOM 264 N ALA A 28 3.519 3.982 15.911 1.00 6.91 N -ATOM 265 CA ALA A 28 2.455 3.921 14.904 1.00 3.02 C -ATOM 266 C ALA A 28 1.731 5.256 14.687 1.00 3.42 C -ATOM 267 O ALA A 28 1.156 5.870 15.572 1.00 3.02 O -ATOM 268 CB ALA A 28 1.433 2.831 15.275 1.00 2.00 C -ATOM 269 H ALA A 28 3.297 4.070 16.878 1.00 15.00 H -ATOM 270 N ASP A 29 1.735 5.695 13.417 1.00 3.92 N -ATOM 271 CA ASP A 29 0.961 6.906 13.082 1.00 6.42 C -ATOM 272 C ASP A 29 -0.564 6.870 13.321 1.00 6.90 C -ATOM 273 O ASP A 29 -1.237 7.831 13.680 1.00 7.18 O -ATOM 274 CB ASP A 29 1.214 7.334 11.621 1.00 10.78 C -ATOM 275 CG ASP A 29 2.652 7.723 11.241 1.00 16.60 C -ATOM 276 OD1 ASP A 29 3.473 8.024 12.119 1.00 16.61 O -ATOM 277 OD2 ASP A 29 2.937 7.729 10.035 1.00 19.82 O -ATOM 278 H ASP A 29 2.329 5.189 12.788 1.00 15.00 H -ATOM 279 N ASP A 30 -1.060 5.654 13.068 1.00 10.14 N -ATOM 280 CA ASP A 30 -2.488 5.277 13.093 1.00 9.04 C -ATOM 281 C ASP A 30 -2.819 4.094 14.037 1.00 10.66 C -ATOM 282 O ASP A 30 -1.961 3.353 14.529 1.00 10.32 O -ATOM 283 CB ASP A 30 -3.013 4.874 11.694 1.00 8.49 C -ATOM 284 CG ASP A 30 -2.604 5.771 10.511 1.00 12.48 C -ATOM 285 OD1 ASP A 30 -2.969 6.951 10.471 1.00 13.46 O -ATOM 286 OD2 ASP A 30 -1.929 5.277 9.606 1.00 14.26 O -ATOM 287 H ASP A 30 -0.378 4.955 12.866 1.00 15.00 H -ATOM 288 N THR A 31 -4.147 3.987 14.228 1.00 10.75 N -ATOM 289 CA THR A 31 -4.846 3.005 15.081 1.00 8.58 C -ATOM 290 C THR A 31 -5.458 1.897 14.250 1.00 14.08 C -ATOM 291 O THR A 31 -6.255 2.173 13.366 1.00 17.64 O -ATOM 292 CB THR A 31 -5.964 3.748 15.851 1.00 8.52 C -ATOM 293 OG1 THR A 31 -5.386 4.814 16.619 1.00 5.59 O -ATOM 294 CG2 THR A 31 -6.900 2.920 16.750 1.00 5.14 C -ATOM 295 H THR A 31 -4.696 4.667 13.750 1.00 15.00 H -ATOM 296 HG1 THR A 31 -5.542 5.620 16.140 1.00 15.00 H -ATOM 297 N VAL A 32 -5.041 0.651 14.549 1.00 14.57 N -ATOM 298 CA VAL A 32 -5.394 -0.599 13.818 1.00 11.51 C -ATOM 299 C VAL A 32 -5.834 -1.722 14.783 1.00 12.42 C -ATOM 300 O VAL A 32 -5.219 -2.060 15.809 1.00 9.55 O -ATOM 301 CB VAL A 32 -4.226 -1.172 12.961 1.00 11.77 C -ATOM 302 CG1 VAL A 32 -4.659 -2.391 12.146 1.00 7.51 C -ATOM 303 CG2 VAL A 32 -3.615 -0.156 11.996 1.00 9.56 C -ATOM 304 H VAL A 32 -4.480 0.606 15.379 1.00 15.00 H -ATOM 305 N LEU A 33 -6.996 -2.262 14.399 1.00 8.46 N -ATOM 306 CA LEU A 33 -7.736 -3.086 15.361 1.00 6.71 C -ATOM 307 C LEU A 33 -8.115 -4.411 14.697 1.00 5.60 C -ATOM 308 O LEU A 33 -8.200 -4.467 13.472 1.00 5.00 O -ATOM 309 CB LEU A 33 -8.939 -2.216 15.805 1.00 9.14 C -ATOM 310 CG LEU A 33 -9.079 -1.598 17.233 1.00 11.97 C -ATOM 311 CD1 LEU A 33 -7.885 -0.913 17.897 1.00 8.88 C -ATOM 312 CD2 LEU A 33 -10.185 -0.573 17.172 1.00 15.65 C -ATOM 313 H LEU A 33 -7.396 -1.982 13.525 1.00 15.00 H -ATOM 314 N GLU A 34 -8.299 -5.481 15.493 1.00 6.68 N -ATOM 315 CA GLU A 34 -8.591 -6.789 14.850 1.00 10.45 C -ATOM 316 C GLU A 34 -9.937 -6.870 14.168 1.00 11.56 C -ATOM 317 O GLU A 34 -10.780 -6.017 14.371 1.00 13.54 O -ATOM 318 CB GLU A 34 -8.470 -7.969 15.820 1.00 14.09 C -ATOM 319 CG GLU A 34 -7.056 -8.084 16.443 1.00 24.30 C -ATOM 320 CD GLU A 34 -7.025 -8.905 17.749 1.00 33.54 C -ATOM 321 OE1 GLU A 34 -8.068 -9.169 18.379 1.00 35.23 O -ATOM 322 OE2 GLU A 34 -5.919 -9.262 18.145 1.00 34.97 O -ATOM 323 H GLU A 34 -8.257 -5.324 16.478 1.00 15.00 H -ATOM 324 N GLU A 35 -10.144 -7.918 13.360 1.00 15.87 N -ATOM 325 CA GLU A 35 -11.484 -8.118 12.720 1.00 20.76 C -ATOM 326 C GLU A 35 -12.751 -7.880 13.549 1.00 19.68 C -ATOM 327 O GLU A 35 -13.089 -8.704 14.391 1.00 23.35 O -ATOM 328 CB GLU A 35 -11.714 -9.549 12.214 1.00 20.31 C -ATOM 329 CG GLU A 35 -11.549 -9.697 10.718 1.00 30.20 C -ATOM 330 CD GLU A 35 -12.383 -8.701 9.949 1.00 39.71 C -ATOM 331 OE1 GLU A 35 -13.609 -8.709 10.089 1.00 43.68 O -ATOM 332 OE2 GLU A 35 -11.784 -7.927 9.198 1.00 46.22 O -ATOM 333 H GLU A 35 -9.364 -8.507 13.177 1.00 15.00 H -ATOM 334 N MET A 36 -13.447 -6.776 13.230 1.00 13.95 N -ATOM 335 CA MET A 36 -14.799 -6.605 13.769 1.00 10.73 C -ATOM 336 C MET A 36 -15.834 -5.918 12.828 1.00 13.63 C -ATOM 337 O MET A 36 -15.547 -5.316 11.794 1.00 11.97 O -ATOM 338 CB MET A 36 -14.754 -5.925 15.136 1.00 6.21 C -ATOM 339 CG MET A 36 -14.475 -4.427 14.916 1.00 14.27 C -ATOM 340 SD MET A 36 -14.218 -3.469 16.396 1.00 15.34 S -ATOM 341 CE MET A 36 -15.640 -3.903 17.405 1.00 13.96 C -ATOM 342 H MET A 36 -13.002 -6.089 12.656 1.00 15.00 H -ATOM 343 N ASN A 37 -17.086 -6.053 13.291 1.00 11.98 N -ATOM 344 CA ASN A 37 -18.179 -5.371 12.623 1.00 13.42 C -ATOM 345 C ASN A 37 -18.578 -4.047 13.255 1.00 16.43 C -ATOM 346 O ASN A 37 -19.012 -3.954 14.394 1.00 16.51 O -ATOM 347 CB ASN A 37 -19.375 -6.301 12.537 1.00 16.24 C -ATOM 348 CG ASN A 37 -18.994 -7.301 11.471 1.00 23.68 C -ATOM 349 OD1 ASN A 37 -18.624 -6.954 10.357 1.00 32.36 O -ATOM 350 ND2 ASN A 37 -19.029 -8.579 11.848 1.00 18.92 N -ATOM 351 H ASN A 37 -17.210 -6.545 14.147 1.00 15.00 H -ATOM 352 HD21 ASN A 37 -18.634 -9.172 11.152 1.00 15.00 H -ATOM 353 HD22 ASN A 37 -19.424 -8.895 12.704 1.00 15.00 H -ATOM 354 N LEU A 38 -18.379 -3.018 12.440 1.00 16.56 N -ATOM 355 CA LEU A 38 -18.704 -1.681 12.902 1.00 15.78 C -ATOM 356 C LEU A 38 -19.693 -1.009 11.938 1.00 19.85 C -ATOM 357 O LEU A 38 -19.680 -1.251 10.724 1.00 20.78 O -ATOM 358 CB LEU A 38 -17.348 -0.970 13.021 1.00 14.49 C -ATOM 359 CG LEU A 38 -16.858 -0.246 14.307 1.00 8.64 C -ATOM 360 CD1 LEU A 38 -17.074 -0.915 15.666 1.00 5.75 C -ATOM 361 CD2 LEU A 38 -15.366 -0.009 14.154 1.00 5.18 C -ATOM 362 H LEU A 38 -17.966 -3.206 11.549 1.00 15.00 H -ATOM 363 N PRO A 39 -20.594 -0.180 12.534 1.00 22.42 N -ATOM 364 CA PRO A 39 -21.611 0.588 11.771 1.00 26.77 C -ATOM 365 C PRO A 39 -21.130 1.539 10.665 1.00 29.54 C -ATOM 366 O PRO A 39 -20.396 2.503 10.868 1.00 29.99 O -ATOM 367 CB PRO A 39 -22.332 1.421 12.823 1.00 24.85 C -ATOM 368 CG PRO A 39 -22.072 0.681 14.122 1.00 28.76 C -ATOM 369 CD PRO A 39 -20.699 0.052 13.959 1.00 21.86 C -ATOM 370 N GLY A 40 -21.657 1.274 9.478 1.00 28.51 N -ATOM 371 CA GLY A 40 -21.516 2.378 8.526 1.00 28.87 C -ATOM 372 C GLY A 40 -20.618 2.162 7.311 1.00 30.87 C -ATOM 373 O GLY A 40 -20.231 1.070 6.911 1.00 29.78 O -ATOM 374 H GLY A 40 -22.057 0.383 9.286 1.00 15.00 H -ATOM 375 N LYS A 41 -20.343 3.293 6.680 1.00 33.12 N -ATOM 376 CA LYS A 41 -19.625 3.137 5.415 1.00 37.91 C -ATOM 377 C LYS A 41 -18.101 3.232 5.504 1.00 38.30 C -ATOM 378 O LYS A 41 -17.526 4.054 6.207 1.00 42.40 O -ATOM 379 CB LYS A 41 -20.195 4.083 4.341 1.00 41.89 C -ATOM 380 CG LYS A 41 -21.035 3.347 3.297 1.00 42.36 C -ATOM 381 CD LYS A 41 -20.669 3.854 1.902 1.00 48.74 C -ATOM 382 CE LYS A 41 -21.210 3.011 0.734 1.00 51.48 C -ATOM 383 NZ LYS A 41 -20.639 3.508 -0.530 1.00 50.33 N -ATOM 384 H LYS A 41 -20.527 4.159 7.137 1.00 15.00 H -ATOM 385 HZ1 LYS A 41 -20.796 4.534 -0.598 1.00 15.00 H -ATOM 386 HZ2 LYS A 41 -19.617 3.316 -0.550 1.00 15.00 H -ATOM 387 HZ3 LYS A 41 -21.094 3.036 -1.338 1.00 15.00 H -ATOM 388 N TRP A 42 -17.466 2.327 4.774 1.00 34.90 N -ATOM 389 CA TRP A 42 -16.020 2.225 4.935 1.00 30.92 C -ATOM 390 C TRP A 42 -15.259 2.241 3.615 1.00 33.72 C -ATOM 391 O TRP A 42 -15.677 1.739 2.572 1.00 35.04 O -ATOM 392 CB TRP A 42 -15.640 0.985 5.734 1.00 24.59 C -ATOM 393 CG TRP A 42 -16.258 -0.178 5.014 1.00 26.07 C -ATOM 394 CD1 TRP A 42 -17.588 -0.603 5.142 1.00 27.36 C -ATOM 395 CD2 TRP A 42 -15.682 -1.014 3.985 1.00 28.61 C -ATOM 396 NE1 TRP A 42 -17.863 -1.611 4.282 1.00 31.74 N -ATOM 397 CE2 TRP A 42 -16.714 -1.914 3.550 1.00 31.16 C -ATOM 398 CE3 TRP A 42 -14.401 -1.100 3.396 1.00 28.02 C -ATOM 399 CZ2 TRP A 42 -16.443 -2.867 2.537 1.00 24.44 C -ATOM 400 CZ3 TRP A 42 -14.145 -2.056 2.386 1.00 22.00 C -ATOM 401 CH2 TRP A 42 -15.154 -2.938 1.967 1.00 21.98 C -ATOM 402 H TRP A 42 -17.981 1.727 4.167 1.00 15.00 H -ATOM 403 HE1 TRP A 42 -18.729 -2.063 4.206 1.00 15.00 H -ATOM 404 N LYS A 43 -14.085 2.847 3.741 1.00 32.75 N -ATOM 405 CA LYS A 43 -13.177 2.907 2.604 1.00 30.62 C -ATOM 406 C LYS A 43 -12.023 1.867 2.694 1.00 27.14 C -ATOM 407 O LYS A 43 -11.369 1.726 3.716 1.00 22.53 O -ATOM 408 CB LYS A 43 -12.716 4.372 2.591 1.00 33.09 C -ATOM 409 CG LYS A 43 -11.786 4.732 1.446 1.00 41.34 C -ATOM 410 CD LYS A 43 -10.974 5.998 1.713 1.00 49.18 C -ATOM 411 CE LYS A 43 -9.514 5.868 1.216 1.00 54.01 C -ATOM 412 NZ LYS A 43 -8.786 4.797 1.932 1.00 50.64 N -ATOM 413 H LYS A 43 -13.846 3.198 4.649 1.00 15.00 H -ATOM 414 HZ1 LYS A 43 -8.763 5.005 2.951 1.00 15.00 H -ATOM 415 HZ2 LYS A 43 -9.264 3.887 1.778 1.00 15.00 H -ATOM 416 HZ3 LYS A 43 -7.812 4.735 1.574 1.00 15.00 H -ATOM 417 N PRO A 44 -11.769 1.125 1.599 1.00 23.46 N -ATOM 418 CA PRO A 44 -10.508 0.364 1.498 1.00 23.08 C -ATOM 419 C PRO A 44 -9.215 1.173 1.381 1.00 22.15 C -ATOM 420 O PRO A 44 -9.090 2.205 0.739 1.00 18.72 O -ATOM 421 CB PRO A 44 -10.712 -0.506 0.266 1.00 23.78 C -ATOM 422 CG PRO A 44 -11.689 0.298 -0.581 1.00 24.22 C -ATOM 423 CD PRO A 44 -12.609 0.980 0.436 1.00 23.63 C -ATOM 424 N LYS A 45 -8.216 0.598 2.050 1.00 25.28 N -ATOM 425 CA LYS A 45 -6.884 1.223 2.149 1.00 23.40 C -ATOM 426 C LYS A 45 -5.758 0.172 2.280 1.00 20.00 C -ATOM 427 O LYS A 45 -5.897 -0.785 3.026 1.00 20.10 O -ATOM 428 CB LYS A 45 -6.924 2.167 3.363 1.00 21.78 C -ATOM 429 CG LYS A 45 -5.932 3.322 3.377 1.00 24.75 C -ATOM 430 CD LYS A 45 -5.897 3.959 4.769 1.00 35.26 C -ATOM 431 CE LYS A 45 -5.082 5.271 4.942 1.00 38.29 C -ATOM 432 NZ LYS A 45 -5.054 5.680 6.371 1.00 38.89 N -ATOM 433 H LYS A 45 -8.468 -0.179 2.630 1.00 15.00 H -ATOM 434 HZ1 LYS A 45 -4.624 4.919 6.935 1.00 15.00 H -ATOM 435 HZ2 LYS A 45 -4.492 6.549 6.476 1.00 15.00 H -ATOM 436 HZ3 LYS A 45 -6.024 5.850 6.706 1.00 15.00 H -ATOM 437 N MET A 46 -4.644 0.367 1.567 1.00 20.42 N -ATOM 438 CA MET A 46 -3.404 -0.401 1.915 1.00 22.45 C -ATOM 439 C MET A 46 -2.345 0.337 2.775 1.00 22.01 C -ATOM 440 O MET A 46 -1.871 1.427 2.447 1.00 22.84 O -ATOM 441 CB MET A 46 -2.621 -0.857 0.685 1.00 21.43 C -ATOM 442 CG MET A 46 -3.433 -1.507 -0.429 1.00 26.00 C -ATOM 443 SD MET A 46 -3.572 -3.280 -0.248 1.00 33.71 S -ATOM 444 CE MET A 46 -1.806 -3.607 -0.201 1.00 33.67 C -ATOM 445 H MET A 46 -4.635 1.130 0.924 1.00 15.00 H -ATOM 446 N ILE A 47 -1.967 -0.307 3.889 1.00 19.66 N -ATOM 447 CA ILE A 47 -0.898 0.272 4.742 1.00 13.85 C -ATOM 448 C ILE A 47 0.461 -0.453 4.862 1.00 10.43 C -ATOM 449 O ILE A 47 0.579 -1.641 5.090 1.00 13.68 O -ATOM 450 CB ILE A 47 -1.466 0.587 6.123 1.00 13.67 C -ATOM 451 CG1 ILE A 47 -1.712 -0.683 6.942 1.00 10.96 C -ATOM 452 CG2 ILE A 47 -2.734 1.446 5.944 1.00 9.75 C -ATOM 453 CD1 ILE A 47 -1.279 -0.564 8.399 1.00 9.43 C -ATOM 454 H ILE A 47 -2.401 -1.189 4.069 1.00 15.00 H -ATOM 455 N GLY A 48 1.541 0.287 4.685 1.00 12.48 N -ATOM 456 CA GLY A 48 2.810 -0.455 4.774 1.00 10.79 C -ATOM 457 C GLY A 48 3.501 -0.450 6.124 1.00 8.62 C -ATOM 458 O GLY A 48 3.690 0.611 6.685 1.00 10.71 O -ATOM 459 H GLY A 48 1.467 1.275 4.566 1.00 15.00 H -ATOM 460 N GLY A 49 3.872 -1.638 6.630 1.00 9.15 N -ATOM 461 CA GLY A 49 4.667 -1.717 7.878 1.00 8.64 C -ATOM 462 C GLY A 49 6.032 -2.371 7.671 1.00 13.08 C -ATOM 463 O GLY A 49 6.401 -2.675 6.548 1.00 11.27 O -ATOM 464 H GLY A 49 3.656 -2.448 6.091 1.00 15.00 H -ATOM 465 N ILE A 50 6.824 -2.604 8.737 1.00 16.21 N -ATOM 466 CA ILE A 50 8.168 -3.023 8.290 1.00 18.38 C -ATOM 467 C ILE A 50 8.324 -4.364 7.545 1.00 19.29 C -ATOM 468 O ILE A 50 9.159 -4.511 6.670 1.00 21.57 O -ATOM 469 CB ILE A 50 9.340 -2.791 9.305 1.00 19.61 C -ATOM 470 CG1 ILE A 50 9.950 -4.057 9.888 1.00 21.42 C -ATOM 471 CG2 ILE A 50 9.056 -1.788 10.438 1.00 13.44 C -ATOM 472 CD1 ILE A 50 11.321 -3.759 10.485 1.00 27.01 C -ATOM 473 H ILE A 50 6.487 -2.493 9.676 1.00 15.00 H -ATOM 474 N GLY A 51 7.463 -5.341 7.897 1.00 19.71 N -ATOM 475 CA GLY A 51 7.553 -6.613 7.154 1.00 14.98 C -ATOM 476 C GLY A 51 6.710 -6.733 5.871 1.00 14.89 C -ATOM 477 O GLY A 51 6.612 -7.796 5.302 1.00 15.83 O -ATOM 478 H GLY A 51 6.725 -5.156 8.547 1.00 15.00 H -ATOM 479 N GLY A 52 6.075 -5.619 5.421 1.00 18.52 N -ATOM 480 CA GLY A 52 5.285 -5.622 4.169 1.00 13.59 C -ATOM 481 C GLY A 52 3.992 -4.783 4.145 1.00 13.84 C -ATOM 482 O GLY A 52 3.774 -3.944 5.001 1.00 14.07 O -ATOM 483 H GLY A 52 6.253 -4.766 5.912 1.00 15.00 H -ATOM 484 N PHE A 53 3.129 -5.045 3.137 1.00 15.75 N -ATOM 485 CA PHE A 53 1.825 -4.369 2.984 1.00 17.32 C -ATOM 486 C PHE A 53 0.629 -5.087 3.565 1.00 23.07 C -ATOM 487 O PHE A 53 0.349 -6.209 3.169 1.00 29.18 O -ATOM 488 CB PHE A 53 1.380 -4.225 1.535 1.00 15.75 C -ATOM 489 CG PHE A 53 1.930 -2.972 0.914 1.00 17.91 C -ATOM 490 CD1 PHE A 53 1.601 -1.710 1.440 1.00 23.67 C -ATOM 491 CD2 PHE A 53 2.811 -3.091 -0.166 1.00 21.23 C -ATOM 492 CE1 PHE A 53 2.265 -0.559 0.964 1.00 25.07 C -ATOM 493 CE2 PHE A 53 3.469 -1.951 -0.659 1.00 24.15 C -ATOM 494 CZ PHE A 53 3.232 -0.704 -0.047 1.00 26.52 C -ATOM 495 H PHE A 53 3.394 -5.798 2.536 1.00 15.00 H -ATOM 496 N ILE A 54 -0.129 -4.404 4.444 1.00 22.84 N -ATOM 497 CA ILE A 54 -1.485 -4.944 4.682 1.00 19.56 C -ATOM 498 C ILE A 54 -2.705 -4.183 4.103 1.00 20.37 C -ATOM 499 O ILE A 54 -2.698 -3.007 3.755 1.00 21.02 O -ATOM 500 CB ILE A 54 -1.731 -5.333 6.163 1.00 18.04 C -ATOM 501 CG1 ILE A 54 -1.860 -4.152 7.112 1.00 14.47 C -ATOM 502 CG2 ILE A 54 -0.682 -6.319 6.686 1.00 12.60 C -ATOM 503 CD1 ILE A 54 -2.069 -4.596 8.565 1.00 17.81 C -ATOM 504 H ILE A 54 0.185 -3.510 4.767 1.00 15.00 H -ATOM 505 N LYS A 55 -3.800 -4.939 4.016 1.00 19.34 N -ATOM 506 CA LYS A 55 -5.043 -4.305 3.566 1.00 18.48 C -ATOM 507 C LYS A 55 -6.107 -4.126 4.665 1.00 17.27 C -ATOM 508 O LYS A 55 -6.276 -4.956 5.550 1.00 14.14 O -ATOM 509 CB LYS A 55 -5.582 -5.052 2.347 1.00 22.23 C -ATOM 510 CG LYS A 55 -6.899 -4.551 1.755 1.00 33.21 C -ATOM 511 CD LYS A 55 -7.404 -5.499 0.663 1.00 43.72 C -ATOM 512 CE LYS A 55 -8.898 -5.297 0.373 1.00 50.72 C -ATOM 513 NZ LYS A 55 -9.336 -6.204 -0.702 1.00 52.98 N -ATOM 514 H LYS A 55 -3.763 -5.884 4.331 1.00 15.00 H -ATOM 515 HZ1 LYS A 55 -9.059 -7.180 -0.474 1.00 15.00 H -ATOM 516 HZ2 LYS A 55 -10.370 -6.152 -0.805 1.00 15.00 H -ATOM 517 HZ3 LYS A 55 -8.888 -5.919 -1.596 1.00 15.00 H -ATOM 518 N VAL A 56 -6.764 -2.942 4.573 1.00 18.67 N -ATOM 519 CA VAL A 56 -7.550 -2.360 5.673 1.00 12.05 C -ATOM 520 C VAL A 56 -8.917 -1.786 5.308 1.00 8.82 C -ATOM 521 O VAL A 56 -9.168 -1.353 4.196 1.00 11.63 O -ATOM 522 CB VAL A 56 -6.603 -1.392 6.391 1.00 7.83 C -ATOM 523 CG1 VAL A 56 -6.834 0.091 6.224 1.00 2.00 C -ATOM 524 CG2 VAL A 56 -6.395 -1.903 7.799 1.00 6.80 C -ATOM 525 H VAL A 56 -6.551 -2.385 3.770 1.00 15.00 H -ATOM 526 N ARG A 57 -9.815 -1.814 6.286 1.00 10.78 N -ATOM 527 CA ARG A 57 -11.066 -1.048 6.164 1.00 8.48 C -ATOM 528 C ARG A 57 -11.091 0.197 7.039 1.00 8.76 C -ATOM 529 O ARG A 57 -11.111 0.145 8.266 1.00 8.67 O -ATOM 530 CB ARG A 57 -12.279 -1.893 6.531 1.00 7.92 C -ATOM 531 CG ARG A 57 -12.585 -3.018 5.549 1.00 9.23 C -ATOM 532 CD ARG A 57 -13.825 -3.819 5.947 1.00 12.88 C -ATOM 533 NE ARG A 57 -13.522 -4.972 6.797 1.00 19.41 N -ATOM 534 CZ ARG A 57 -14.057 -5.084 8.049 1.00 28.57 C -ATOM 535 NH1 ARG A 57 -14.670 -4.055 8.653 1.00 29.23 N -ATOM 536 NH2 ARG A 57 -14.002 -6.251 8.702 1.00 25.99 N -ATOM 537 H ARG A 57 -9.580 -2.337 7.110 1.00 15.00 H -ATOM 538 HE ARG A 57 -13.012 -5.747 6.424 1.00 15.00 H -ATOM 539 HH11 ARG A 57 -14.734 -3.165 8.198 1.00 15.00 H -ATOM 540 HH12 ARG A 57 -15.067 -4.176 9.562 1.00 15.00 H -ATOM 541 HH21 ARG A 57 -13.559 -7.042 8.279 1.00 15.00 H -ATOM 542 HH22 ARG A 57 -14.403 -6.332 9.613 1.00 15.00 H -ATOM 543 N GLN A 58 -11.083 1.339 6.349 1.00 9.36 N -ATOM 544 CA GLN A 58 -11.207 2.635 7.013 1.00 7.13 C -ATOM 545 C GLN A 58 -12.595 3.074 7.512 1.00 7.78 C -ATOM 546 O GLN A 58 -13.454 3.367 6.691 1.00 9.82 O -ATOM 547 CB GLN A 58 -10.584 3.683 6.087 1.00 9.03 C -ATOM 548 CG GLN A 58 -10.344 5.049 6.766 1.00 15.66 C -ATOM 549 CD GLN A 58 -9.510 5.977 5.891 1.00 16.91 C -ATOM 550 OE1 GLN A 58 -9.023 5.669 4.822 1.00 22.25 O -ATOM 551 NE2 GLN A 58 -9.320 7.175 6.380 1.00 13.90 N -ATOM 552 H GLN A 58 -10.980 1.249 5.365 1.00 15.00 H -ATOM 553 HE21 GLN A 58 -8.751 7.678 5.735 1.00 15.00 H -ATOM 554 HE22 GLN A 58 -9.668 7.526 7.238 1.00 15.00 H -ATOM 555 N TYR A 59 -12.765 3.179 8.860 1.00 4.58 N -ATOM 556 CA TYR A 59 -13.942 3.885 9.422 1.00 5.07 C -ATOM 557 C TYR A 59 -13.682 5.245 10.081 1.00 7.84 C -ATOM 558 O TYR A 59 -12.843 5.379 10.961 1.00 10.41 O -ATOM 559 CB TYR A 59 -14.720 3.072 10.477 1.00 5.28 C -ATOM 560 CG TYR A 59 -15.178 1.717 9.985 1.00 7.61 C -ATOM 561 CD1 TYR A 59 -16.429 1.595 9.367 1.00 7.43 C -ATOM 562 CD2 TYR A 59 -14.333 0.601 10.167 1.00 15.35 C -ATOM 563 CE1 TYR A 59 -16.870 0.332 8.951 1.00 10.12 C -ATOM 564 CE2 TYR A 59 -14.755 -0.666 9.736 1.00 16.82 C -ATOM 565 CZ TYR A 59 -16.046 -0.793 9.181 1.00 16.20 C -ATOM 566 OH TYR A 59 -16.537 -2.052 8.909 1.00 15.62 O -ATOM 567 H TYR A 59 -12.060 2.784 9.452 1.00 15.00 H -ATOM 568 HH TYR A 59 -17.463 -1.979 8.709 1.00 15.00 H -ATOM 569 N ASP A 60 -14.420 6.280 9.634 1.00 8.33 N -ATOM 570 CA ASP A 60 -14.201 7.632 10.191 1.00 8.94 C -ATOM 571 C ASP A 60 -15.146 8.076 11.297 1.00 12.12 C -ATOM 572 O ASP A 60 -16.218 7.526 11.443 1.00 12.98 O -ATOM 573 CB ASP A 60 -14.214 8.715 9.106 1.00 7.49 C -ATOM 574 CG ASP A 60 -13.268 8.367 7.959 1.00 11.05 C -ATOM 575 OD1 ASP A 60 -12.124 7.999 8.231 1.00 19.89 O -ATOM 576 OD2 ASP A 60 -13.668 8.458 6.796 1.00 11.72 O -ATOM 577 H ASP A 60 -15.187 6.059 9.035 1.00 15.00 H -ATOM 578 N GLN A 61 -14.742 9.086 12.089 1.00 13.98 N -ATOM 579 CA GLN A 61 -15.664 9.514 13.179 1.00 16.08 C -ATOM 580 C GLN A 61 -16.363 8.514 14.188 1.00 14.69 C -ATOM 581 O GLN A 61 -17.532 8.604 14.552 1.00 13.55 O -ATOM 582 CB GLN A 61 -16.653 10.548 12.637 1.00 19.49 C -ATOM 583 CG GLN A 61 -16.031 11.796 11.980 1.00 30.71 C -ATOM 584 CD GLN A 61 -15.203 12.627 12.959 1.00 36.70 C -ATOM 585 OE1 GLN A 61 -15.341 12.589 14.170 1.00 40.08 O -ATOM 586 NE2 GLN A 61 -14.260 13.384 12.397 1.00 36.53 N -ATOM 587 H GLN A 61 -13.853 9.505 11.941 1.00 15.00 H -ATOM 588 HE21 GLN A 61 -13.744 13.870 13.098 1.00 15.00 H -ATOM 589 HE22 GLN A 61 -14.115 13.472 11.420 1.00 15.00 H -ATOM 590 N ILE A 62 -15.544 7.560 14.664 1.00 10.58 N -ATOM 591 CA ILE A 62 -15.963 6.587 15.673 1.00 8.91 C -ATOM 592 C ILE A 62 -15.545 6.958 17.114 1.00 12.94 C -ATOM 593 O ILE A 62 -14.431 7.393 17.403 1.00 10.33 O -ATOM 594 CB ILE A 62 -15.376 5.225 15.295 1.00 4.78 C -ATOM 595 CG1 ILE A 62 -15.670 4.782 13.852 1.00 5.50 C -ATOM 596 CG2 ILE A 62 -15.760 4.140 16.303 1.00 2.00 C -ATOM 597 CD1 ILE A 62 -17.080 4.296 13.470 1.00 6.02 C -ATOM 598 H ILE A 62 -14.604 7.557 14.327 1.00 15.00 H -ATOM 599 N PRO A 63 -16.523 6.806 18.041 1.00 14.35 N -ATOM 600 CA PRO A 63 -16.248 7.063 19.462 1.00 11.42 C -ATOM 601 C PRO A 63 -15.550 5.916 20.180 1.00 13.82 C -ATOM 602 O PRO A 63 -16.004 4.771 20.218 1.00 13.36 O -ATOM 603 CB PRO A 63 -17.636 7.378 20.025 1.00 7.57 C -ATOM 604 CG PRO A 63 -18.554 7.567 18.809 1.00 9.23 C -ATOM 605 CD PRO A 63 -17.942 6.610 17.786 1.00 14.61 C -ATOM 606 N VAL A 64 -14.379 6.277 20.750 1.00 12.69 N -ATOM 607 CA VAL A 64 -13.736 5.312 21.632 1.00 9.70 C -ATOM 608 C VAL A 64 -13.381 5.801 23.031 1.00 8.20 C -ATOM 609 O VAL A 64 -13.052 6.949 23.305 1.00 8.01 O -ATOM 610 CB VAL A 64 -12.654 4.392 20.936 1.00 9.79 C -ATOM 611 CG1 VAL A 64 -12.700 4.364 19.396 1.00 2.00 C -ATOM 612 CG2 VAL A 64 -11.241 4.495 21.474 1.00 12.10 C -ATOM 613 H VAL A 64 -14.000 7.170 20.528 1.00 15.00 H -ATOM 614 N GLU A 65 -13.505 4.868 23.955 1.00 7.36 N -ATOM 615 CA GLU A 65 -12.972 5.193 25.262 1.00 8.29 C -ATOM 616 C GLU A 65 -11.712 4.464 25.650 1.00 8.72 C -ATOM 617 O GLU A 65 -11.632 3.239 25.692 1.00 7.20 O -ATOM 618 CB GLU A 65 -14.009 4.958 26.331 1.00 16.21 C -ATOM 619 CG GLU A 65 -15.173 5.917 26.227 1.00 28.95 C -ATOM 620 CD GLU A 65 -16.036 5.762 27.457 1.00 42.00 C -ATOM 621 OE1 GLU A 65 -15.655 6.281 28.515 1.00 41.15 O -ATOM 622 OE2 GLU A 65 -17.086 5.118 27.336 1.00 47.92 O -ATOM 623 H GLU A 65 -13.913 3.986 23.705 1.00 15.00 H -ATOM 624 N ILE A 66 -10.718 5.287 25.964 1.00 12.31 N -ATOM 625 CA ILE A 66 -9.424 4.746 26.428 1.00 15.55 C -ATOM 626 C ILE A 66 -9.134 5.185 27.859 1.00 17.26 C -ATOM 627 O ILE A 66 -8.955 6.366 28.160 1.00 14.67 O -ATOM 628 CB ILE A 66 -8.240 5.161 25.497 1.00 14.67 C -ATOM 629 CG1 ILE A 66 -8.601 5.198 24.012 1.00 14.16 C -ATOM 630 CG2 ILE A 66 -7.004 4.253 25.635 1.00 12.13 C -ATOM 631 CD1 ILE A 66 -7.499 5.896 23.204 1.00 12.50 C -ATOM 632 H ILE A 66 -10.882 6.267 25.831 1.00 15.00 H -ATOM 633 N CYS A 67 -9.142 4.196 28.776 1.00 20.80 N -ATOM 634 CA CYS A 67 -8.903 4.595 30.199 1.00 24.96 C -ATOM 635 C CYS A 67 -9.762 5.707 30.862 1.00 25.05 C -ATOM 636 O CYS A 67 -9.280 6.561 31.606 1.00 25.64 O -ATOM 637 CB CYS A 67 -7.455 5.015 30.442 1.00 24.85 C -ATOM 638 SG CYS A 67 -6.469 3.587 30.789 1.00 34.14 S -ATOM 639 H CYS A 67 -9.210 3.247 28.455 1.00 15.00 H -ATOM 640 N GLY A 68 -11.058 5.710 30.508 1.00 22.38 N -ATOM 641 CA GLY A 68 -11.856 6.851 30.987 1.00 23.78 C -ATOM 642 C GLY A 68 -11.771 8.182 30.210 1.00 25.98 C -ATOM 643 O GLY A 68 -12.465 9.153 30.491 1.00 30.44 O -ATOM 644 H GLY A 68 -11.411 5.002 29.905 1.00 15.00 H -ATOM 645 N HIS A 69 -10.906 8.176 29.182 1.00 22.38 N -ATOM 646 CA HIS A 69 -10.885 9.341 28.308 1.00 19.25 C -ATOM 647 C HIS A 69 -11.555 9.024 27.002 1.00 19.72 C -ATOM 648 O HIS A 69 -11.320 7.998 26.375 1.00 21.73 O -ATOM 649 CB HIS A 69 -9.464 9.853 28.056 1.00 20.58 C -ATOM 650 CG HIS A 69 -8.777 10.135 29.370 1.00 24.61 C -ATOM 651 ND1 HIS A 69 -8.210 9.190 30.156 1.00 27.85 N -ATOM 652 CD2 HIS A 69 -8.662 11.363 30.018 1.00 25.43 C -ATOM 653 CE1 HIS A 69 -7.748 9.797 31.284 1.00 24.14 C -ATOM 654 NE2 HIS A 69 -8.034 11.130 31.196 1.00 22.87 N -ATOM 655 H HIS A 69 -10.316 7.394 29.003 1.00 15.00 H -ATOM 656 HD1 HIS A 69 -8.149 8.233 29.977 1.00 15.00 H -ATOM 657 N LYS A 70 -12.450 9.933 26.649 1.00 19.65 N -ATOM 658 CA LYS A 70 -13.221 9.826 25.406 1.00 17.22 C -ATOM 659 C LYS A 70 -12.507 10.406 24.163 1.00 15.83 C -ATOM 660 O LYS A 70 -11.947 11.489 24.204 1.00 15.38 O -ATOM 661 CB LYS A 70 -14.508 10.605 25.650 1.00 20.19 C -ATOM 662 CG LYS A 70 -15.789 9.845 25.956 1.00 30.72 C -ATOM 663 CD LYS A 70 -16.197 9.005 24.735 1.00 39.08 C -ATOM 664 CE LYS A 70 -16.223 9.752 23.395 1.00 39.55 C -ATOM 665 NZ LYS A 70 -15.774 8.786 22.393 1.00 38.04 N -ATOM 666 H LYS A 70 -12.475 10.764 27.198 1.00 15.00 H -ATOM 667 HZ1 LYS A 70 -14.814 8.468 22.636 1.00 15.00 H -ATOM 668 HZ2 LYS A 70 -16.418 7.970 22.384 1.00 15.00 H -ATOM 669 HZ3 LYS A 70 -15.765 9.237 21.456 1.00 15.00 H -ATOM 670 N ALA A 71 -12.581 9.669 23.053 1.00 14.11 N -ATOM 671 CA ALA A 71 -12.049 10.164 21.785 1.00 9.65 C -ATOM 672 C ALA A 71 -12.950 9.871 20.542 1.00 14.05 C -ATOM 673 O ALA A 71 -13.774 8.960 20.525 1.00 17.33 O -ATOM 674 CB ALA A 71 -10.691 9.503 21.588 1.00 13.01 C -ATOM 675 H ALA A 71 -12.986 8.761 23.141 1.00 15.00 H -ATOM 676 N ILE A 72 -12.793 10.673 19.468 1.00 12.13 N -ATOM 677 CA ILE A 72 -13.614 10.476 18.259 1.00 7.59 C -ATOM 678 C ILE A 72 -12.785 10.549 16.968 1.00 7.29 C -ATOM 679 O ILE A 72 -12.084 11.503 16.658 1.00 7.41 O -ATOM 680 CB ILE A 72 -14.848 11.451 18.212 1.00 7.82 C -ATOM 681 CG1 ILE A 72 -15.644 11.511 19.533 1.00 6.92 C -ATOM 682 CG2 ILE A 72 -15.821 11.024 17.111 1.00 2.99 C -ATOM 683 CD1 ILE A 72 -16.810 12.505 19.598 1.00 7.31 C -ATOM 684 H ILE A 72 -12.094 11.391 19.558 1.00 15.00 H -ATOM 685 N GLY A 73 -12.812 9.459 16.216 1.00 6.85 N -ATOM 686 CA GLY A 73 -11.802 9.477 15.165 1.00 3.66 C -ATOM 687 C GLY A 73 -11.808 8.290 14.226 1.00 5.70 C -ATOM 688 O GLY A 73 -12.670 7.431 14.296 1.00 5.13 O -ATOM 689 H GLY A 73 -13.337 8.653 16.494 1.00 15.00 H -ATOM 690 N THR A 74 -10.814 8.304 13.326 1.00 4.83 N -ATOM 691 CA THR A 74 -10.557 7.175 12.406 1.00 6.42 C -ATOM 692 C THR A 74 -9.927 5.876 12.993 1.00 8.54 C -ATOM 693 O THR A 74 -8.938 5.859 13.741 1.00 11.09 O -ATOM 694 CB THR A 74 -9.720 7.753 11.231 1.00 9.90 C -ATOM 695 OG1 THR A 74 -10.423 8.883 10.688 1.00 6.69 O -ATOM 696 CG2 THR A 74 -9.271 6.796 10.104 1.00 9.55 C -ATOM 697 H THR A 74 -10.187 9.084 13.351 1.00 15.00 H -ATOM 698 HG1 THR A 74 -11.146 8.537 10.185 1.00 15.00 H -ATOM 699 N VAL A 75 -10.581 4.751 12.619 1.00 7.45 N -ATOM 700 CA VAL A 75 -10.064 3.424 12.999 1.00 3.64 C -ATOM 701 C VAL A 75 -10.002 2.529 11.798 1.00 5.50 C -ATOM 702 O VAL A 75 -10.908 2.484 10.966 1.00 6.60 O -ATOM 703 CB VAL A 75 -10.751 2.669 14.181 1.00 2.00 C -ATOM 704 CG1 VAL A 75 -10.913 3.535 15.429 1.00 2.24 C -ATOM 705 CG2 VAL A 75 -12.074 2.028 13.818 1.00 2.67 C -ATOM 706 H VAL A 75 -11.433 4.856 12.105 1.00 15.00 H -ATOM 707 N LEU A 76 -8.827 1.882 11.712 1.00 7.70 N -ATOM 708 CA LEU A 76 -8.560 0.993 10.582 1.00 9.14 C -ATOM 709 C LEU A 76 -8.758 -0.411 11.091 1.00 8.24 C -ATOM 710 O LEU A 76 -8.180 -0.689 12.133 1.00 8.98 O -ATOM 711 CB LEU A 76 -7.096 1.080 10.170 1.00 10.74 C -ATOM 712 CG LEU A 76 -6.554 2.116 9.182 1.00 10.68 C -ATOM 713 CD1 LEU A 76 -7.371 3.382 9.044 1.00 7.60 C -ATOM 714 CD2 LEU A 76 -5.065 2.380 9.472 1.00 4.59 C -ATOM 715 H LEU A 76 -8.164 1.978 12.458 1.00 15.00 H -ATOM 716 N VAL A 77 -9.556 -1.241 10.379 1.00 5.51 N -ATOM 717 CA VAL A 77 -9.612 -2.615 10.873 1.00 7.56 C -ATOM 718 C VAL A 77 -9.067 -3.627 9.884 1.00 11.19 C -ATOM 719 O VAL A 77 -9.292 -3.527 8.684 1.00 15.24 O -ATOM 720 CB VAL A 77 -10.965 -3.018 11.575 1.00 10.81 C -ATOM 721 CG1 VAL A 77 -11.992 -1.869 11.789 1.00 6.89 C -ATOM 722 CG2 VAL A 77 -11.605 -4.314 11.072 1.00 6.45 C -ATOM 723 H VAL A 77 -10.102 -0.873 9.624 1.00 15.00 H -ATOM 724 N GLY A 78 -8.247 -4.550 10.439 1.00 14.31 N -ATOM 725 CA GLY A 78 -7.421 -5.459 9.606 1.00 11.38 C -ATOM 726 C GLY A 78 -6.549 -6.491 10.338 1.00 10.04 C -ATOM 727 O GLY A 78 -6.689 -6.696 11.536 1.00 11.54 O -ATOM 728 H GLY A 78 -8.172 -4.530 11.440 1.00 15.00 H -ATOM 729 N PRO A 79 -5.657 -7.198 9.576 1.00 10.23 N -ATOM 730 CA PRO A 79 -4.843 -8.307 10.160 1.00 8.21 C -ATOM 731 C PRO A 79 -3.582 -7.953 10.985 1.00 13.23 C -ATOM 732 O PRO A 79 -2.449 -8.222 10.618 1.00 21.44 O -ATOM 733 CB PRO A 79 -4.516 -9.134 8.905 1.00 4.37 C -ATOM 734 CG PRO A 79 -4.472 -8.118 7.757 1.00 2.00 C -ATOM 735 CD PRO A 79 -5.536 -7.089 8.115 1.00 3.01 C -ATOM 736 N THR A 80 -3.793 -7.352 12.147 1.00 16.55 N -ATOM 737 CA THR A 80 -2.668 -6.967 13.039 1.00 14.33 C -ATOM 738 C THR A 80 -2.414 -7.963 14.181 1.00 14.07 C -ATOM 739 O THR A 80 -3.361 -8.591 14.627 1.00 14.05 O -ATOM 740 CB THR A 80 -2.984 -5.585 13.630 1.00 10.44 C -ATOM 741 OG1 THR A 80 -2.027 -5.241 14.620 1.00 12.88 O -ATOM 742 CG2 THR A 80 -4.388 -5.503 14.223 1.00 4.82 C -ATOM 743 H THR A 80 -4.756 -7.257 12.405 1.00 15.00 H -ATOM 744 HG1 THR A 80 -2.528 -4.947 15.384 1.00 15.00 H -ATOM 745 N PRO A 81 -1.144 -8.155 14.681 1.00 14.95 N -ATOM 746 CA PRO A 81 -0.988 -9.139 15.784 1.00 12.96 C -ATOM 747 C PRO A 81 -1.790 -8.850 17.053 1.00 12.83 C -ATOM 748 O PRO A 81 -2.404 -9.713 17.644 1.00 16.23 O -ATOM 749 CB PRO A 81 0.521 -9.191 16.065 1.00 7.77 C -ATOM 750 CG PRO A 81 1.178 -8.551 14.848 1.00 7.13 C -ATOM 751 CD PRO A 81 0.139 -7.587 14.270 1.00 10.90 C -ATOM 752 N VAL A 82 -1.736 -7.570 17.453 1.00 15.40 N -ATOM 753 CA VAL A 82 -2.440 -7.017 18.624 1.00 11.41 C -ATOM 754 C VAL A 82 -3.373 -5.845 18.241 1.00 10.53 C -ATOM 755 O VAL A 82 -3.254 -5.294 17.142 1.00 9.57 O -ATOM 756 CB VAL A 82 -1.397 -6.519 19.651 1.00 9.70 C -ATOM 757 CG1 VAL A 82 -0.766 -7.679 20.370 1.00 5.78 C -ATOM 758 CG2 VAL A 82 -0.333 -5.607 19.030 1.00 10.61 C -ATOM 759 H VAL A 82 -1.252 -6.961 16.826 1.00 15.00 H -ATOM 760 N ASN A 83 -4.242 -5.425 19.203 1.00 5.95 N -ATOM 761 CA ASN A 83 -4.800 -4.081 18.959 1.00 3.62 C -ATOM 762 C ASN A 83 -3.849 -2.918 19.265 1.00 3.68 C -ATOM 763 O ASN A 83 -3.264 -2.850 20.340 1.00 6.21 O -ATOM 764 CB ASN A 83 -6.103 -3.838 19.728 1.00 8.40 C -ATOM 765 CG ASN A 83 -7.265 -4.688 19.236 1.00 9.86 C -ATOM 766 OD1 ASN A 83 -7.744 -4.560 18.129 1.00 15.78 O -ATOM 767 ND2 ASN A 83 -7.765 -5.557 20.102 1.00 6.89 N -ATOM 768 H ASN A 83 -4.312 -5.927 20.062 1.00 15.00 H -ATOM 769 HD21 ASN A 83 -8.526 -6.068 19.715 1.00 15.00 H -ATOM 770 HD22 ASN A 83 -7.387 -5.635 21.026 1.00 15.00 H -ATOM 771 N ILE A 84 -3.733 -2.018 18.281 1.00 4.44 N -ATOM 772 CA ILE A 84 -2.820 -0.844 18.286 1.00 6.23 C -ATOM 773 C ILE A 84 -3.530 0.548 18.348 1.00 7.54 C -ATOM 774 O ILE A 84 -4.310 0.914 17.470 1.00 10.49 O -ATOM 775 CB ILE A 84 -1.917 -0.949 17.005 1.00 9.16 C -ATOM 776 CG1 ILE A 84 -0.878 -2.065 17.074 1.00 9.46 C -ATOM 777 CG2 ILE A 84 -1.171 0.325 16.564 1.00 9.37 C -ATOM 778 CD1 ILE A 84 -0.214 -2.279 15.708 1.00 12.32 C -ATOM 779 H ILE A 84 -4.302 -2.187 17.474 1.00 15.00 H -ATOM 780 N ILE A 85 -3.203 1.329 19.399 1.00 6.08 N -ATOM 781 CA ILE A 85 -3.549 2.761 19.382 1.00 3.83 C -ATOM 782 C ILE A 85 -2.346 3.642 18.969 1.00 5.48 C -ATOM 783 O ILE A 85 -1.321 3.637 19.652 1.00 4.60 O -ATOM 784 CB ILE A 85 -4.078 3.263 20.743 1.00 3.28 C -ATOM 785 CG1 ILE A 85 -4.993 2.265 21.468 1.00 4.75 C -ATOM 786 CG2 ILE A 85 -4.764 4.614 20.547 1.00 2.00 C -ATOM 787 CD1 ILE A 85 -6.373 2.028 20.837 1.00 10.37 C -ATOM 788 H ILE A 85 -2.591 0.942 20.095 1.00 15.00 H -ATOM 789 N GLY A 86 -2.519 4.356 17.827 1.00 3.63 N -ATOM 790 CA GLY A 86 -1.444 5.149 17.231 1.00 3.97 C -ATOM 791 C GLY A 86 -1.513 6.620 17.583 1.00 6.02 C -ATOM 792 O GLY A 86 -2.415 7.044 18.307 1.00 11.53 O -ATOM 793 H GLY A 86 -3.436 4.323 17.425 1.00 15.00 H -ATOM 794 N ARG A 87 -0.582 7.434 17.053 1.00 4.10 N -ATOM 795 CA ARG A 87 -0.654 8.875 17.437 1.00 6.33 C -ATOM 796 C ARG A 87 -1.987 9.709 17.268 1.00 6.34 C -ATOM 797 O ARG A 87 -2.248 10.670 17.993 1.00 9.00 O -ATOM 798 CB ARG A 87 0.560 9.612 16.845 1.00 4.55 C -ATOM 799 CG ARG A 87 1.904 9.047 17.362 1.00 10.87 C -ATOM 800 CD ARG A 87 3.062 9.100 16.353 1.00 5.39 C -ATOM 801 NE ARG A 87 3.209 10.479 15.997 1.00 15.34 N -ATOM 802 CZ ARG A 87 2.792 10.872 14.795 1.00 18.04 C -ATOM 803 NH1 ARG A 87 2.967 10.101 13.735 1.00 15.78 N -ATOM 804 NH2 ARG A 87 2.170 12.049 14.692 1.00 19.63 N -ATOM 805 H ARG A 87 0.196 7.014 16.588 1.00 15.00 H -ATOM 806 HE ARG A 87 3.259 11.156 16.730 1.00 15.00 H -ATOM 807 HH11 ARG A 87 3.447 9.229 13.827 1.00 15.00 H -ATOM 808 HH12 ARG A 87 2.619 10.390 12.845 1.00 15.00 H -ATOM 809 HH21 ARG A 87 2.040 12.623 15.501 1.00 15.00 H -ATOM 810 HH22 ARG A 87 1.829 12.357 13.805 1.00 15.00 H -ATOM 811 N ASN A 88 -2.846 9.320 16.284 1.00 4.71 N -ATOM 812 CA ASN A 88 -4.085 10.064 15.974 1.00 2.94 C -ATOM 813 C ASN A 88 -5.100 10.221 17.134 1.00 8.33 C -ATOM 814 O ASN A 88 -5.814 11.204 17.328 1.00 10.61 O -ATOM 815 CB ASN A 88 -4.734 9.451 14.714 1.00 2.54 C -ATOM 816 CG ASN A 88 -5.452 8.096 14.938 1.00 11.53 C -ATOM 817 OD1 ASN A 88 -4.939 7.098 15.437 1.00 2.94 O -ATOM 818 ND2 ASN A 88 -6.728 8.083 14.558 1.00 12.71 N -ATOM 819 H ASN A 88 -2.520 8.580 15.694 1.00 15.00 H -ATOM 820 HD21 ASN A 88 -7.219 7.218 14.657 1.00 15.00 H -ATOM 821 HD22 ASN A 88 -7.217 8.883 14.213 1.00 15.00 H -ATOM 822 N LEU A 89 -5.100 9.142 17.928 1.00 9.42 N -ATOM 823 CA LEU A 89 -5.948 9.061 19.121 1.00 8.04 C -ATOM 824 C LEU A 89 -5.240 9.372 20.426 1.00 5.83 C -ATOM 825 O LEU A 89 -5.720 10.079 21.282 1.00 11.22 O -ATOM 826 CB LEU A 89 -6.576 7.671 19.132 1.00 7.87 C -ATOM 827 CG LEU A 89 -7.982 7.575 18.565 1.00 9.76 C -ATOM 828 CD1 LEU A 89 -8.269 8.482 17.355 1.00 13.42 C -ATOM 829 CD2 LEU A 89 -8.334 6.110 18.331 1.00 14.63 C -ATOM 830 H LEU A 89 -4.531 8.374 17.626 1.00 15.00 H -ATOM 831 N LEU A 90 -4.014 8.888 20.545 1.00 8.10 N -ATOM 832 CA LEU A 90 -3.122 9.326 21.652 1.00 8.09 C -ATOM 833 C LEU A 90 -2.996 10.851 21.908 1.00 8.64 C -ATOM 834 O LEU A 90 -2.902 11.395 23.005 1.00 9.47 O -ATOM 835 CB LEU A 90 -1.745 8.802 21.290 1.00 5.97 C -ATOM 836 CG LEU A 90 -1.170 7.607 22.016 1.00 5.66 C -ATOM 837 CD1 LEU A 90 -2.156 6.570 22.522 1.00 4.83 C -ATOM 838 CD2 LEU A 90 -0.167 6.990 21.060 1.00 7.12 C -ATOM 839 H LEU A 90 -3.704 8.240 19.846 1.00 15.00 H -ATOM 840 N THR A 91 -2.992 11.570 20.795 1.00 9.94 N -ATOM 841 CA THR A 91 -3.029 13.029 20.978 1.00 8.71 C -ATOM 842 C THR A 91 -4.303 13.614 21.471 1.00 10.30 C -ATOM 843 O THR A 91 -4.259 14.519 22.284 1.00 12.69 O -ATOM 844 CB THR A 91 -2.729 13.810 19.729 1.00 10.12 C -ATOM 845 OG1 THR A 91 -3.546 13.334 18.654 1.00 9.03 O -ATOM 846 CG2 THR A 91 -1.237 13.795 19.403 1.00 9.48 C -ATOM 847 H THR A 91 -2.949 11.127 19.899 1.00 15.00 H -ATOM 848 HG1 THR A 91 -3.051 12.631 18.233 1.00 15.00 H -ATOM 849 N GLN A 92 -5.435 13.036 21.015 1.00 9.54 N -ATOM 850 CA GLN A 92 -6.739 13.425 21.614 1.00 8.56 C -ATOM 851 C GLN A 92 -6.888 13.403 23.158 1.00 10.13 C -ATOM 852 O GLN A 92 -7.313 14.362 23.797 1.00 10.19 O -ATOM 853 CB GLN A 92 -7.901 12.683 20.934 1.00 7.14 C -ATOM 854 CG GLN A 92 -8.079 13.162 19.471 1.00 4.88 C -ATOM 855 CD GLN A 92 -9.409 12.689 18.959 1.00 4.56 C -ATOM 856 OE1 GLN A 92 -10.324 12.409 19.699 1.00 14.03 O -ATOM 857 NE2 GLN A 92 -9.555 12.577 17.672 1.00 2.00 N -ATOM 858 H GLN A 92 -5.340 12.385 20.263 1.00 15.00 H -ATOM 859 HE21 GLN A 92 -10.464 12.281 17.383 1.00 15.00 H -ATOM 860 HE22 GLN A 92 -8.804 12.777 17.055 1.00 15.00 H -ATOM 861 N ILE A 93 -6.453 12.267 23.731 1.00 7.25 N -ATOM 862 CA ILE A 93 -6.483 12.101 25.195 1.00 7.07 C -ATOM 863 C ILE A 93 -5.335 12.732 26.048 1.00 11.45 C -ATOM 864 O ILE A 93 -5.207 12.556 27.257 1.00 11.98 O -ATOM 865 CB ILE A 93 -6.643 10.599 25.548 1.00 8.30 C -ATOM 866 CG1 ILE A 93 -5.341 9.820 25.286 1.00 5.63 C -ATOM 867 CG2 ILE A 93 -7.849 9.970 24.810 1.00 6.86 C -ATOM 868 CD1 ILE A 93 -5.437 8.344 25.642 1.00 6.01 C -ATOM 869 H ILE A 93 -6.167 11.548 23.098 1.00 15.00 H -ATOM 870 N GLY A 94 -4.464 13.486 25.366 1.00 10.82 N -ATOM 871 CA GLY A 94 -3.410 14.097 26.190 1.00 12.12 C -ATOM 872 C GLY A 94 -2.050 13.371 26.432 1.00 15.12 C -ATOM 873 O GLY A 94 -1.236 13.833 27.223 1.00 17.26 O -ATOM 874 H GLY A 94 -4.588 13.678 24.392 1.00 15.00 H -ATOM 875 N CYS A 95 -1.790 12.267 25.687 1.00 14.55 N -ATOM 876 CA CYS A 95 -0.471 11.597 25.822 1.00 10.81 C -ATOM 877 C CYS A 95 0.838 12.258 25.319 1.00 11.73 C -ATOM 878 O CYS A 95 0.949 12.839 24.228 1.00 13.70 O -ATOM 879 CB CYS A 95 -0.614 10.216 25.243 1.00 12.07 C -ATOM 880 SG CYS A 95 0.307 8.920 26.088 1.00 18.07 S -ATOM 881 H CYS A 95 -2.463 12.031 24.988 1.00 15.00 H -ATOM 882 N THR A 96 1.843 12.131 26.211 1.00 9.92 N -ATOM 883 CA THR A 96 3.255 12.544 26.016 1.00 6.70 C -ATOM 884 C THR A 96 4.358 11.495 26.430 1.00 11.47 C -ATOM 885 O THR A 96 4.175 10.661 27.303 1.00 11.99 O -ATOM 886 CB THR A 96 3.572 13.884 26.732 1.00 3.18 C -ATOM 887 OG1 THR A 96 3.422 13.782 28.136 1.00 2.00 O -ATOM 888 CG2 THR A 96 2.735 15.054 26.263 1.00 2.00 C -ATOM 889 H THR A 96 1.543 11.752 27.094 1.00 15.00 H -ATOM 890 HG1 THR A 96 3.325 14.669 28.470 1.00 15.00 H -ATOM 891 N LEU A 97 5.544 11.562 25.769 1.00 13.36 N -ATOM 892 CA LEU A 97 6.781 10.866 26.209 1.00 11.73 C -ATOM 893 C LEU A 97 7.766 11.692 27.122 1.00 12.03 C -ATOM 894 O LEU A 97 8.091 12.842 26.868 1.00 13.10 O -ATOM 895 CB LEU A 97 7.510 10.366 24.941 1.00 12.45 C -ATOM 896 CG LEU A 97 7.614 8.852 24.580 1.00 12.27 C -ATOM 897 CD1 LEU A 97 6.313 8.199 24.173 1.00 13.18 C -ATOM 898 CD2 LEU A 97 8.468 8.621 23.357 1.00 9.86 C -ATOM 899 H LEU A 97 5.576 12.235 25.027 1.00 15.00 H -ATOM 900 N ASN A 98 8.241 11.095 28.216 1.00 12.12 N -ATOM 901 CA ASN A 98 9.072 11.924 29.137 1.00 14.38 C -ATOM 902 C ASN A 98 10.351 11.322 29.763 1.00 14.68 C -ATOM 903 O ASN A 98 10.298 10.201 30.258 1.00 16.20 O -ATOM 904 CB ASN A 98 8.278 12.403 30.337 1.00 15.85 C -ATOM 905 CG ASN A 98 7.192 13.386 29.979 1.00 18.15 C -ATOM 906 OD1 ASN A 98 7.427 14.537 29.659 1.00 17.39 O -ATOM 907 ND2 ASN A 98 5.958 12.904 30.073 1.00 16.74 N -ATOM 908 H ASN A 98 7.900 10.180 28.444 1.00 15.00 H -ATOM 909 HD21 ASN A 98 5.269 13.561 29.783 1.00 15.00 H -ATOM 910 HD22 ASN A 98 5.737 11.995 30.424 1.00 15.00 H -ATOM 911 N PHE A 99 11.434 12.148 29.720 1.00 17.67 N -ATOM 912 CA PHE A 99 12.828 12.065 30.252 1.00 12.46 C -ATOM 913 C PHE A 99 13.520 13.457 30.096 1.00 7.09 C -ATOM 914 O PHE A 99 14.655 13.569 29.636 0.00 8.50 O -ATOM 915 CB PHE A 99 13.592 10.871 29.623 1.00 7.80 C -ATOM 916 CG PHE A 99 13.829 11.100 28.161 1.00 5.94 C -ATOM 917 CD1 PHE A 99 12.760 11.001 27.249 1.00 12.70 C -ATOM 918 CD2 PHE A 99 15.119 11.457 27.715 1.00 10.34 C -ATOM 919 CE1 PHE A 99 12.961 11.344 25.896 1.00 13.79 C -ATOM 920 CE2 PHE A 99 15.334 11.813 26.366 1.00 13.69 C -ATOM 921 CZ PHE A 99 14.238 11.793 25.477 1.00 16.36 C -ATOM 922 OXT PHE A 99 12.893 14.487 30.349 0.00 8.50 O -ATOM 923 H PHE A 99 11.228 13.069 29.393 1.00 15.00 H -TER 924 PHE A 99 -ATOM 925 N PRO B 1 13.587 15.375 28.006 1.00 37.18 N -ATOM 926 CA PRO B 1 12.429 15.782 27.190 1.00 32.66 C -ATOM 927 C PRO B 1 11.058 15.893 27.827 1.00 30.70 C -ATOM 928 O PRO B 1 10.652 14.934 28.450 1.00 33.19 O -ATOM 929 CB PRO B 1 12.884 16.920 26.297 1.00 32.98 C -ATOM 930 CG PRO B 1 14.194 16.250 25.886 1.00 37.01 C -ATOM 931 CD PRO B 1 14.771 15.729 27.210 1.00 37.71 C -ATOM 932 H2 PRO B 1 13.592 15.705 29.002 0.00 0.00 H -ATOM 933 H3 PRO B 1 13.613 14.354 28.265 0.00 0.00 H -ATOM 934 N GLN B 2 10.289 16.963 27.520 1.00 25.28 N -ATOM 935 CA GLN B 2 8.951 16.454 27.183 1.00 22.03 C -ATOM 936 C GLN B 2 8.735 16.286 25.690 1.00 18.15 C -ATOM 937 O GLN B 2 9.066 17.182 24.944 1.00 19.19 O -ATOM 938 CB GLN B 2 7.858 17.317 27.754 1.00 24.59 C -ATOM 939 CG GLN B 2 6.487 16.636 27.780 1.00 21.41 C -ATOM 940 CD GLN B 2 5.550 17.497 28.592 1.00 23.66 C -ATOM 941 OE1 GLN B 2 5.147 17.232 29.715 1.00 17.87 O -ATOM 942 NE2 GLN B 2 5.195 18.607 27.947 1.00 25.77 N -ATOM 943 H GLN B 2 10.602 17.852 27.198 1.00 15.00 H -ATOM 944 HE21 GLN B 2 4.611 19.180 28.515 1.00 15.00 H -ATOM 945 HE22 GLN B 2 5.499 18.821 27.027 1.00 15.00 H -ATOM 946 N ILE B 3 8.226 15.125 25.284 1.00 14.61 N -ATOM 947 CA ILE B 3 8.003 14.894 23.853 1.00 14.42 C -ATOM 948 C ILE B 3 6.521 14.704 23.440 1.00 14.49 C -ATOM 949 O ILE B 3 5.843 13.739 23.782 1.00 11.98 O -ATOM 950 CB ILE B 3 8.908 13.730 23.358 1.00 15.82 C -ATOM 951 CG1 ILE B 3 10.386 13.948 23.707 1.00 17.70 C -ATOM 952 CG2 ILE B 3 8.805 13.509 21.839 1.00 13.84 C -ATOM 953 CD1 ILE B 3 11.258 12.860 23.102 1.00 16.91 C -ATOM 954 H ILE B 3 8.033 14.449 25.996 1.00 15.00 H -ATOM 955 N THR B 4 6.007 15.694 22.684 1.00 13.06 N -ATOM 956 CA THR B 4 4.637 15.475 22.179 1.00 11.34 C -ATOM 957 C THR B 4 4.485 14.733 20.868 1.00 14.26 C -ATOM 958 O THR B 4 5.391 14.603 20.050 1.00 17.92 O -ATOM 959 CB THR B 4 3.842 16.757 21.981 1.00 12.43 C -ATOM 960 OG1 THR B 4 4.477 17.558 20.973 1.00 16.86 O -ATOM 961 CG2 THR B 4 3.616 17.532 23.278 1.00 9.78 C -ATOM 962 H THR B 4 6.612 16.409 22.331 1.00 15.00 H -ATOM 963 HG1 THR B 4 4.039 18.402 20.956 1.00 15.00 H -ATOM 964 N LEU B 5 3.243 14.257 20.693 1.00 12.93 N -ATOM 965 CA LEU B 5 2.994 13.361 19.550 1.00 10.05 C -ATOM 966 C LEU B 5 2.303 13.904 18.292 1.00 10.74 C -ATOM 967 O LEU B 5 1.831 13.156 17.450 1.00 13.05 O -ATOM 968 CB LEU B 5 2.233 12.124 20.046 1.00 12.05 C -ATOM 969 CG LEU B 5 2.952 11.008 20.841 1.00 12.23 C -ATOM 970 CD1 LEU B 5 4.489 11.031 20.848 1.00 11.19 C -ATOM 971 CD2 LEU B 5 2.307 10.783 22.180 1.00 2.39 C -ATOM 972 H LEU B 5 2.596 14.322 21.450 1.00 15.00 H -ATOM 973 N TRP B 6 2.245 15.249 18.159 1.00 10.83 N -ATOM 974 CA TRP B 6 1.758 15.805 16.880 1.00 8.95 C -ATOM 975 C TRP B 6 2.538 15.367 15.646 1.00 11.86 C -ATOM 976 O TRP B 6 2.017 15.148 14.562 1.00 13.20 O -ATOM 977 CB TRP B 6 1.831 17.332 16.775 1.00 9.49 C -ATOM 978 CG TRP B 6 1.039 18.078 17.808 1.00 7.19 C -ATOM 979 CD1 TRP B 6 1.619 18.811 18.841 1.00 9.16 C -ATOM 980 CD2 TRP B 6 -0.391 18.196 18.006 1.00 14.14 C -ATOM 981 NE1 TRP B 6 0.692 19.339 19.659 1.00 7.62 N -ATOM 982 CE2 TRP B 6 -0.576 18.983 19.193 1.00 13.41 C -ATOM 983 CE3 TRP B 6 -1.528 17.737 17.295 1.00 16.58 C -ATOM 984 CZ2 TRP B 6 -1.887 19.274 19.659 1.00 10.89 C -ATOM 985 CZ3 TRP B 6 -2.827 18.052 17.761 1.00 19.55 C -ATOM 986 CH2 TRP B 6 -3.008 18.805 18.945 1.00 12.82 C -ATOM 987 H TRP B 6 2.645 15.799 18.887 1.00 15.00 H -ATOM 988 HE1 TRP B 6 0.877 19.912 20.438 1.00 15.00 H -ATOM 989 N LYS B 7 3.857 15.254 15.865 1.00 15.08 N -ATOM 990 CA LYS B 7 4.567 14.402 14.905 1.00 14.05 C -ATOM 991 C LYS B 7 5.265 13.130 15.437 1.00 10.87 C -ATOM 992 O LYS B 7 5.190 12.773 16.605 1.00 8.04 O -ATOM 993 CB LYS B 7 5.382 15.210 13.864 1.00 12.97 C -ATOM 994 CG LYS B 7 5.922 16.586 14.221 1.00 18.22 C -ATOM 995 CD LYS B 7 7.141 16.570 15.157 1.00 29.42 C -ATOM 996 CE LYS B 7 7.808 17.956 15.399 1.00 36.49 C -ATOM 997 NZ LYS B 7 8.467 18.487 14.174 1.00 41.16 N -ATOM 998 H LYS B 7 4.258 15.573 16.719 1.00 15.00 H -ATOM 999 HZ1 LYS B 7 9.010 17.725 13.719 1.00 15.00 H -ATOM 1000 HZ2 LYS B 7 7.743 18.839 13.515 1.00 15.00 H -ATOM 1001 HZ3 LYS B 7 9.106 19.267 14.430 1.00 15.00 H -ATOM 1002 N ARG B 8 5.941 12.438 14.502 1.00 7.83 N -ATOM 1003 CA ARG B 8 6.757 11.289 14.910 1.00 6.01 C -ATOM 1004 C ARG B 8 7.864 11.650 15.893 1.00 5.22 C -ATOM 1005 O ARG B 8 8.538 12.670 15.755 1.00 2.00 O -ATOM 1006 CB ARG B 8 7.392 10.626 13.672 1.00 8.34 C -ATOM 1007 CG ARG B 8 6.440 9.877 12.721 1.00 7.25 C -ATOM 1008 CD ARG B 8 7.149 9.217 11.559 1.00 4.59 C -ATOM 1009 NE ARG B 8 6.209 8.432 10.750 1.00 14.38 N -ATOM 1010 CZ ARG B 8 6.611 7.669 9.688 1.00 15.55 C -ATOM 1011 NH1 ARG B 8 7.894 7.559 9.332 1.00 16.70 N -ATOM 1012 NH2 ARG B 8 5.699 7.025 8.965 1.00 18.53 N -ATOM 1013 H ARG B 8 5.902 12.755 13.558 1.00 15.00 H -ATOM 1014 HE ARG B 8 5.228 8.480 10.936 1.00 15.00 H -ATOM 1015 HH11 ARG B 8 8.599 8.035 9.858 1.00 15.00 H -ATOM 1016 HH12 ARG B 8 8.151 7.003 8.542 1.00 15.00 H -ATOM 1017 HH21 ARG B 8 4.729 7.091 9.197 1.00 15.00 H -ATOM 1018 HH22 ARG B 8 5.993 6.478 8.181 1.00 15.00 H -ATOM 1019 N PRO B 9 8.052 10.777 16.909 1.00 7.39 N -ATOM 1020 CA PRO B 9 9.075 11.107 17.923 1.00 8.37 C -ATOM 1021 C PRO B 9 10.507 10.656 17.556 1.00 5.80 C -ATOM 1022 O PRO B 9 11.032 9.686 18.101 1.00 5.48 O -ATOM 1023 CB PRO B 9 8.443 10.425 19.155 1.00 6.26 C -ATOM 1024 CG PRO B 9 7.757 9.168 18.601 1.00 3.24 C -ATOM 1025 CD PRO B 9 7.280 9.572 17.223 1.00 5.14 C -ATOM 1026 N LEU B 10 11.099 11.404 16.586 1.00 6.45 N -ATOM 1027 CA LEU B 10 12.530 11.236 16.151 1.00 10.46 C -ATOM 1028 C LEU B 10 13.651 11.856 17.014 1.00 10.72 C -ATOM 1029 O LEU B 10 13.723 13.054 17.210 1.00 11.17 O -ATOM 1030 CB LEU B 10 12.878 11.732 14.743 1.00 7.46 C -ATOM 1031 CG LEU B 10 12.299 10.972 13.559 1.00 16.13 C -ATOM 1032 CD1 LEU B 10 12.546 9.461 13.564 1.00 18.86 C -ATOM 1033 CD2 LEU B 10 10.829 11.269 13.370 1.00 23.21 C -ATOM 1034 H LEU B 10 10.550 12.178 16.265 1.00 15.00 H -ATOM 1035 N VAL B 11 14.543 11.008 17.521 1.00 12.29 N -ATOM 1036 CA VAL B 11 15.734 11.566 18.162 1.00 12.15 C -ATOM 1037 C VAL B 11 17.039 11.269 17.422 1.00 14.43 C -ATOM 1038 O VAL B 11 17.126 10.470 16.493 1.00 10.98 O -ATOM 1039 CB VAL B 11 15.825 11.155 19.642 1.00 14.58 C -ATOM 1040 CG1 VAL B 11 14.809 11.938 20.469 1.00 18.20 C -ATOM 1041 CG2 VAL B 11 15.703 9.641 19.871 1.00 11.13 C -ATOM 1042 H VAL B 11 14.370 10.032 17.437 1.00 15.00 H -ATOM 1043 N THR B 12 18.082 11.970 17.903 1.00 17.32 N -ATOM 1044 CA THR B 12 19.472 11.559 17.587 1.00 16.89 C -ATOM 1045 C THR B 12 20.117 10.551 18.529 1.00 15.64 C -ATOM 1046 O THR B 12 20.067 10.620 19.752 1.00 17.75 O -ATOM 1047 CB THR B 12 20.414 12.758 17.462 1.00 18.04 C -ATOM 1048 OG1 THR B 12 20.038 13.533 16.308 1.00 21.81 O -ATOM 1049 CG2 THR B 12 21.917 12.400 17.404 1.00 18.90 C -ATOM 1050 H THR B 12 17.865 12.659 18.592 1.00 15.00 H -ATOM 1051 HG1 THR B 12 19.091 13.514 16.241 1.00 15.00 H -ATOM 1052 N ILE B 13 20.736 9.600 17.861 1.00 15.87 N -ATOM 1053 CA ILE B 13 21.551 8.582 18.500 1.00 18.13 C -ATOM 1054 C ILE B 13 22.966 8.447 17.862 1.00 20.14 C -ATOM 1055 O ILE B 13 23.155 8.590 16.653 1.00 22.93 O -ATOM 1056 CB ILE B 13 20.781 7.241 18.489 1.00 16.33 C -ATOM 1057 CG1 ILE B 13 20.778 6.658 17.067 1.00 14.28 C -ATOM 1058 CG2 ILE B 13 19.348 7.415 19.043 1.00 7.89 C -ATOM 1059 CD1 ILE B 13 20.940 5.139 17.014 1.00 14.30 C -ATOM 1060 H ILE B 13 20.664 9.631 16.862 1.00 15.00 H -ATOM 1061 N ARG B 14 23.937 8.152 18.748 1.00 18.38 N -ATOM 1062 CA ARG B 14 25.293 7.749 18.339 1.00 18.22 C -ATOM 1063 C ARG B 14 25.746 6.328 18.747 1.00 19.03 C -ATOM 1064 O ARG B 14 25.735 5.918 19.912 1.00 17.41 O -ATOM 1065 CB ARG B 14 26.312 8.748 18.855 1.00 20.63 C -ATOM 1066 CG ARG B 14 25.921 10.196 18.572 1.00 19.56 C -ATOM 1067 CD ARG B 14 26.878 11.184 19.231 1.00 17.96 C -ATOM 1068 NE ARG B 14 26.288 12.520 19.271 1.00 18.75 N -ATOM 1069 CZ ARG B 14 26.489 13.396 18.267 1.00 17.61 C -ATOM 1070 NH1 ARG B 14 27.340 13.131 17.281 1.00 21.18 N -ATOM 1071 NH2 ARG B 14 25.818 14.542 18.261 1.00 13.12 N -ATOM 1072 H ARG B 14 23.666 8.180 19.703 1.00 15.00 H -ATOM 1073 HE ARG B 14 25.645 12.762 19.997 1.00 15.00 H -ATOM 1074 HH11 ARG B 14 27.865 12.281 17.269 1.00 15.00 H -ATOM 1075 HH12 ARG B 14 27.463 13.799 16.546 1.00 15.00 H -ATOM 1076 HH21 ARG B 14 25.170 14.740 18.995 1.00 15.00 H -ATOM 1077 HH22 ARG B 14 25.958 15.206 17.525 1.00 15.00 H -ATOM 1078 N ILE B 15 26.136 5.587 17.692 1.00 19.14 N -ATOM 1079 CA ILE B 15 26.675 4.223 17.875 1.00 20.97 C -ATOM 1080 C ILE B 15 27.990 4.067 17.116 1.00 21.93 C -ATOM 1081 O ILE B 15 28.096 4.437 15.946 1.00 21.67 O -ATOM 1082 CB ILE B 15 25.761 3.081 17.346 1.00 21.14 C -ATOM 1083 CG1 ILE B 15 24.325 3.432 17.085 1.00 19.78 C -ATOM 1084 CG2 ILE B 15 25.817 1.794 18.173 1.00 21.67 C -ATOM 1085 CD1 ILE B 15 24.119 3.521 15.577 1.00 18.76 C -ATOM 1086 H ILE B 15 26.065 6.047 16.803 1.00 15.00 H -ATOM 1087 N GLY B 16 29.000 3.497 17.790 1.00 22.82 N -ATOM 1088 CA GLY B 16 30.321 3.473 17.114 1.00 22.20 C -ATOM 1089 C GLY B 16 30.974 4.847 17.146 1.00 20.60 C -ATOM 1090 O GLY B 16 30.938 5.546 18.147 1.00 25.71 O -ATOM 1091 H GLY B 16 28.857 3.297 18.757 1.00 15.00 H -ATOM 1092 N GLY B 17 31.437 5.279 15.994 1.00 18.01 N -ATOM 1093 CA GLY B 17 31.429 6.751 15.988 1.00 19.32 C -ATOM 1094 C GLY B 17 30.339 7.400 15.110 1.00 23.21 C -ATOM 1095 O GLY B 17 30.460 8.495 14.576 1.00 26.58 O -ATOM 1096 H GLY B 17 31.595 4.698 15.200 1.00 15.00 H -ATOM 1097 N GLN B 18 29.259 6.628 14.888 1.00 22.56 N -ATOM 1098 CA GLN B 18 28.208 7.031 13.936 1.00 16.21 C -ATOM 1099 C GLN B 18 27.054 7.865 14.457 1.00 12.18 C -ATOM 1100 O GLN B 18 26.491 7.608 15.509 1.00 9.33 O -ATOM 1101 CB GLN B 18 27.677 5.814 13.157 1.00 18.45 C -ATOM 1102 CG GLN B 18 28.711 4.969 12.407 1.00 21.83 C -ATOM 1103 CD GLN B 18 29.484 5.767 11.340 1.00 31.86 C -ATOM 1104 OE1 GLN B 18 29.459 5.507 10.154 1.00 36.21 O -ATOM 1105 NE2 GLN B 18 30.265 6.751 11.750 1.00 38.63 N -ATOM 1106 H GLN B 18 29.143 5.839 15.481 1.00 15.00 H -ATOM 1107 HE21 GLN B 18 30.753 7.166 10.988 1.00 15.00 H -ATOM 1108 HE22 GLN B 18 30.409 7.077 12.678 1.00 15.00 H -ATOM 1109 N LEU B 19 26.724 8.863 13.624 1.00 11.59 N -ATOM 1110 CA LEU B 19 25.504 9.664 13.853 1.00 17.43 C -ATOM 1111 C LEU B 19 24.278 9.189 13.058 1.00 18.33 C -ATOM 1112 O LEU B 19 24.321 9.210 11.834 1.00 15.36 O -ATOM 1113 CB LEU B 19 25.725 11.148 13.493 1.00 19.73 C -ATOM 1114 CG LEU B 19 24.999 12.217 14.343 1.00 21.23 C -ATOM 1115 CD1 LEU B 19 25.361 13.624 13.837 1.00 21.44 C -ATOM 1116 CD2 LEU B 19 23.485 12.072 14.414 1.00 18.91 C -ATOM 1117 H LEU B 19 27.278 8.994 12.808 1.00 15.00 H -ATOM 1118 N LYS B 20 23.215 8.804 13.816 1.00 16.80 N -ATOM 1119 CA LYS B 20 21.904 8.407 13.282 1.00 15.52 C -ATOM 1120 C LYS B 20 20.676 9.181 13.812 1.00 17.36 C -ATOM 1121 O LYS B 20 20.643 9.643 14.945 1.00 15.50 O -ATOM 1122 CB LYS B 20 21.574 6.971 13.681 1.00 17.22 C -ATOM 1123 CG LYS B 20 22.607 5.882 13.524 1.00 13.99 C -ATOM 1124 CD LYS B 20 22.882 5.675 12.073 1.00 13.62 C -ATOM 1125 CE LYS B 20 24.025 4.717 11.895 1.00 16.99 C -ATOM 1126 NZ LYS B 20 24.484 4.868 10.504 1.00 24.02 N -ATOM 1127 H LYS B 20 23.365 8.840 14.806 1.00 15.00 H -ATOM 1128 HZ1 LYS B 20 24.754 5.857 10.329 1.00 15.00 H -ATOM 1129 HZ2 LYS B 20 25.303 4.247 10.342 1.00 15.00 H -ATOM 1130 HZ3 LYS B 20 23.715 4.598 9.857 1.00 15.00 H -ATOM 1131 N GLU B 21 19.602 9.192 12.983 1.00 20.16 N -ATOM 1132 CA GLU B 21 18.268 9.421 13.598 1.00 21.51 C -ATOM 1133 C GLU B 21 17.361 8.190 13.818 1.00 18.01 C -ATOM 1134 O GLU B 21 17.343 7.233 13.047 1.00 18.22 O -ATOM 1135 CB GLU B 21 17.480 10.520 12.888 1.00 27.81 C -ATOM 1136 CG GLU B 21 17.066 10.131 11.457 1.00 39.64 C -ATOM 1137 CD GLU B 21 15.964 11.031 10.886 1.00 45.64 C -ATOM 1138 OE1 GLU B 21 15.654 12.058 11.515 1.00 50.60 O -ATOM 1139 OE2 GLU B 21 15.421 10.685 9.817 1.00 42.07 O -ATOM 1140 H GLU B 21 19.729 8.916 12.035 1.00 15.00 H -ATOM 1141 N ALA B 22 16.616 8.230 14.925 1.00 13.80 N -ATOM 1142 CA ALA B 22 15.823 7.055 15.287 1.00 11.87 C -ATOM 1143 C ALA B 22 14.518 7.381 16.019 1.00 11.18 C -ATOM 1144 O ALA B 22 14.447 8.415 16.662 1.00 11.74 O -ATOM 1145 CB ALA B 22 16.666 6.101 16.149 1.00 10.30 C -ATOM 1146 H ALA B 22 16.676 9.025 15.523 1.00 15.00 H -ATOM 1147 N LEU B 23 13.514 6.468 15.921 1.00 10.61 N -ATOM 1148 CA LEU B 23 12.192 6.568 16.594 1.00 9.03 C -ATOM 1149 C LEU B 23 12.109 6.049 18.004 1.00 4.38 C -ATOM 1150 O LEU B 23 12.334 4.875 18.258 1.00 3.93 O -ATOM 1151 CB LEU B 23 11.040 5.757 15.925 1.00 14.89 C -ATOM 1152 CG LEU B 23 10.386 6.220 14.622 1.00 15.84 C -ATOM 1153 CD1 LEU B 23 9.509 5.129 14.020 1.00 15.65 C -ATOM 1154 CD2 LEU B 23 9.588 7.493 14.822 1.00 18.35 C -ATOM 1155 H LEU B 23 13.736 5.654 15.389 1.00 15.00 H -ATOM 1156 N LEU B 24 11.672 6.936 18.895 1.00 4.41 N -ATOM 1157 CA LEU B 24 11.209 6.427 20.199 1.00 5.96 C -ATOM 1158 C LEU B 24 9.869 5.589 20.226 1.00 6.17 C -ATOM 1159 O LEU B 24 8.750 6.062 20.072 1.00 3.94 O -ATOM 1160 CB LEU B 24 11.234 7.643 21.120 1.00 9.00 C -ATOM 1161 CG LEU B 24 12.381 7.678 22.141 1.00 12.19 C -ATOM 1162 CD1 LEU B 24 13.719 7.199 21.578 1.00 6.06 C -ATOM 1163 CD2 LEU B 24 12.451 9.015 22.873 1.00 5.03 C -ATOM 1164 H LEU B 24 11.549 7.886 18.602 1.00 15.00 H -ATOM 1165 N ASP B 25 10.009 4.262 20.364 1.00 7.45 N -ATOM 1166 CA ASP B 25 8.798 3.452 20.120 1.00 7.91 C -ATOM 1167 C ASP B 25 8.248 2.587 21.300 1.00 5.74 C -ATOM 1168 O ASP B 25 8.641 1.467 21.562 1.00 6.02 O -ATOM 1169 CB ASP B 25 9.015 2.651 18.801 1.00 9.14 C -ATOM 1170 CG ASP B 25 7.778 1.925 18.308 1.00 12.45 C -ATOM 1171 OD1 ASP B 25 6.703 2.106 18.868 1.00 21.66 O -ATOM 1172 OD2 ASP B 25 7.881 1.162 17.360 1.00 11.59 O -ATOM 1173 H ASP B 25 10.914 3.852 20.515 1.00 15.00 H -ATOM 1174 N THR B 26 7.241 3.084 22.009 1.00 6.69 N -ATOM 1175 CA THR B 26 6.714 2.258 23.143 1.00 6.27 C -ATOM 1176 C THR B 26 6.004 0.933 22.778 1.00 7.34 C -ATOM 1177 O THR B 26 5.793 0.036 23.578 1.00 8.88 O -ATOM 1178 CB THR B 26 5.729 3.109 23.933 1.00 6.84 C -ATOM 1179 OG1 THR B 26 4.608 3.464 23.074 1.00 9.25 O -ATOM 1180 CG2 THR B 26 6.425 4.368 24.451 1.00 2.00 C -ATOM 1181 H THR B 26 6.901 4.007 21.818 1.00 15.00 H -ATOM 1182 HG1 THR B 26 3.859 2.953 23.397 1.00 15.00 H -ATOM 1183 N GLY B 27 5.656 0.858 21.478 1.00 4.35 N -ATOM 1184 CA GLY B 27 5.173 -0.400 20.906 1.00 9.46 C -ATOM 1185 C GLY B 27 6.203 -1.516 20.597 1.00 15.26 C -ATOM 1186 O GLY B 27 5.877 -2.692 20.436 1.00 17.22 O -ATOM 1187 H GLY B 27 5.801 1.683 20.945 1.00 15.00 H -ATOM 1188 N ALA B 28 7.492 -1.103 20.522 1.00 14.40 N -ATOM 1189 CA ALA B 28 8.551 -2.107 20.342 1.00 5.74 C -ATOM 1190 C ALA B 28 9.165 -2.701 21.615 1.00 2.42 C -ATOM 1191 O ALA B 28 9.669 -2.061 22.526 1.00 2.00 O -ATOM 1192 CB ALA B 28 9.661 -1.568 19.447 1.00 4.25 C -ATOM 1193 H ALA B 28 7.713 -0.156 20.744 1.00 15.00 H -ATOM 1194 N ASP B 29 9.112 -4.029 21.619 1.00 2.74 N -ATOM 1195 CA ASP B 29 9.838 -4.791 22.645 1.00 2.57 C -ATOM 1196 C ASP B 29 11.373 -4.638 22.626 1.00 3.27 C -ATOM 1197 O ASP B 29 12.073 -4.576 23.621 1.00 7.51 O -ATOM 1198 CB ASP B 29 9.512 -6.271 22.479 1.00 5.23 C -ATOM 1199 CG ASP B 29 8.133 -6.745 22.899 1.00 9.26 C -ATOM 1200 OD1 ASP B 29 7.455 -6.048 23.657 1.00 14.61 O -ATOM 1201 OD2 ASP B 29 7.756 -7.845 22.469 1.00 8.73 O -ATOM 1202 H ASP B 29 8.540 -4.432 20.905 1.00 15.00 H -ATOM 1203 N ASP B 30 11.861 -4.594 21.390 1.00 6.36 N -ATOM 1204 CA ASP B 30 13.280 -4.652 21.055 1.00 9.02 C -ATOM 1205 C ASP B 30 13.748 -3.529 20.146 1.00 8.29 C -ATOM 1206 O ASP B 30 12.983 -2.852 19.483 1.00 11.43 O -ATOM 1207 CB ASP B 30 13.615 -5.914 20.256 1.00 14.97 C -ATOM 1208 CG ASP B 30 13.403 -7.271 20.937 1.00 16.52 C -ATOM 1209 OD1 ASP B 30 13.879 -7.478 22.077 1.00 13.64 O -ATOM 1210 OD2 ASP B 30 12.783 -8.114 20.271 1.00 16.84 O -ATOM 1211 H ASP B 30 11.189 -4.560 20.656 1.00 15.00 H -ATOM 1212 N THR B 31 15.069 -3.377 20.133 1.00 11.09 N -ATOM 1213 CA THR B 31 15.689 -2.288 19.330 1.00 10.79 C -ATOM 1214 C THR B 31 16.168 -2.748 17.969 1.00 5.57 C -ATOM 1215 O THR B 31 16.972 -3.643 17.843 1.00 11.09 O -ATOM 1216 CB THR B 31 16.851 -1.587 20.106 1.00 7.86 C -ATOM 1217 OG1 THR B 31 16.360 -0.962 21.300 1.00 3.89 O -ATOM 1218 CG2 THR B 31 17.629 -0.548 19.287 1.00 2.00 C -ATOM 1219 H THR B 31 15.617 -4.041 20.639 1.00 15.00 H -ATOM 1220 HG1 THR B 31 16.103 -1.648 21.915 1.00 15.00 H -ATOM 1221 N VAL B 32 15.612 -2.144 16.947 1.00 6.15 N -ATOM 1222 CA VAL B 32 15.849 -2.621 15.593 1.00 6.00 C -ATOM 1223 C VAL B 32 16.503 -1.559 14.738 1.00 7.16 C -ATOM 1224 O VAL B 32 15.939 -0.497 14.526 1.00 12.47 O -ATOM 1225 CB VAL B 32 14.518 -3.116 15.014 1.00 3.33 C -ATOM 1226 CG1 VAL B 32 14.578 -3.566 13.547 1.00 8.75 C -ATOM 1227 CG2 VAL B 32 14.063 -4.290 15.870 1.00 2.01 C -ATOM 1228 H VAL B 32 15.020 -1.362 17.150 1.00 15.00 H -ATOM 1229 N LEU B 33 17.741 -1.848 14.325 1.00 7.71 N -ATOM 1230 CA LEU B 33 18.539 -0.837 13.600 1.00 10.06 C -ATOM 1231 C LEU B 33 18.820 -1.204 12.169 1.00 9.90 C -ATOM 1232 O LEU B 33 18.788 -2.357 11.795 1.00 15.88 O -ATOM 1233 CB LEU B 33 19.892 -0.557 14.286 1.00 11.85 C -ATOM 1234 CG LEU B 33 20.078 0.579 15.330 1.00 14.18 C -ATOM 1235 CD1 LEU B 33 18.852 0.924 16.195 1.00 13.47 C -ATOM 1236 CD2 LEU B 33 21.275 0.276 16.230 1.00 12.15 C -ATOM 1237 H LEU B 33 18.087 -2.770 14.499 1.00 15.00 H -ATOM 1238 N GLU B 34 19.111 -0.206 11.360 1.00 14.19 N -ATOM 1239 CA GLU B 34 19.536 -0.485 9.975 1.00 16.04 C -ATOM 1240 C GLU B 34 20.898 -1.177 9.727 1.00 15.98 C -ATOM 1241 O GLU B 34 21.813 -1.161 10.535 1.00 15.35 O -ATOM 1242 CB GLU B 34 19.605 0.826 9.249 1.00 19.39 C -ATOM 1243 CG GLU B 34 20.722 1.739 9.795 1.00 26.76 C -ATOM 1244 CD GLU B 34 20.801 2.877 8.814 1.00 34.63 C -ATOM 1245 OE1 GLU B 34 21.217 2.616 7.682 1.00 43.75 O -ATOM 1246 OE2 GLU B 34 20.420 3.998 9.160 1.00 32.10 O -ATOM 1247 H GLU B 34 19.139 0.709 11.757 1.00 15.00 H -ATOM 1248 N GLU B 35 21.037 -1.752 8.535 1.00 17.85 N -ATOM 1249 CA GLU B 35 22.295 -2.452 8.201 1.00 19.01 C -ATOM 1250 C GLU B 35 23.624 -1.752 8.500 1.00 20.56 C -ATOM 1251 O GLU B 35 23.953 -0.712 7.941 1.00 22.63 O -ATOM 1252 CB GLU B 35 22.267 -2.892 6.739 1.00 18.71 C -ATOM 1253 CG GLU B 35 23.137 -4.070 6.309 1.00 25.41 C -ATOM 1254 CD GLU B 35 23.127 -5.194 7.320 1.00 31.07 C -ATOM 1255 OE1 GLU B 35 22.065 -5.751 7.614 1.00 33.01 O -ATOM 1256 OE2 GLU B 35 24.211 -5.505 7.809 1.00 33.12 O -ATOM 1257 H GLU B 35 20.282 -1.708 7.888 1.00 15.00 H -ATOM 1258 N MET B 36 24.359 -2.401 9.417 1.00 17.85 N -ATOM 1259 CA MET B 36 25.668 -1.889 9.802 1.00 16.22 C -ATOM 1260 C MET B 36 26.715 -2.887 10.316 1.00 19.10 C -ATOM 1261 O MET B 36 26.436 -3.975 10.790 1.00 20.28 O -ATOM 1262 CB MET B 36 25.499 -0.745 10.786 1.00 18.45 C -ATOM 1263 CG MET B 36 25.081 -1.138 12.201 1.00 21.13 C -ATOM 1264 SD MET B 36 25.048 0.354 13.194 1.00 23.85 S -ATOM 1265 CE MET B 36 23.662 1.119 12.338 1.00 23.44 C -ATOM 1266 H MET B 36 23.929 -3.187 9.853 1.00 15.00 H -ATOM 1267 N ASN B 37 27.986 -2.485 10.207 1.00 22.03 N -ATOM 1268 CA ASN B 37 28.949 -3.438 10.791 1.00 23.18 C -ATOM 1269 C ASN B 37 29.378 -3.126 12.225 1.00 19.96 C -ATOM 1270 O ASN B 37 29.725 -2.007 12.566 1.00 20.91 O -ATOM 1271 CB ASN B 37 30.132 -3.676 9.826 1.00 27.49 C -ATOM 1272 CG ASN B 37 30.702 -5.077 10.023 1.00 35.24 C -ATOM 1273 OD1 ASN B 37 30.397 -5.788 10.963 1.00 41.93 O -ATOM 1274 ND2 ASN B 37 31.570 -5.480 9.113 1.00 36.98 N -ATOM 1275 H ASN B 37 28.195 -1.569 9.874 1.00 15.00 H -ATOM 1276 HD21 ASN B 37 31.921 -6.393 9.305 1.00 15.00 H -ATOM 1277 HD22 ASN B 37 31.883 -4.926 8.350 1.00 15.00 H -ATOM 1278 N LEU B 38 29.309 -4.142 13.064 1.00 16.38 N -ATOM 1279 CA LEU B 38 29.572 -3.902 14.486 1.00 13.73 C -ATOM 1280 C LEU B 38 30.672 -4.815 15.041 1.00 16.59 C -ATOM 1281 O LEU B 38 30.881 -5.966 14.639 1.00 18.31 O -ATOM 1282 CB LEU B 38 28.261 -4.104 15.252 1.00 8.78 C -ATOM 1283 CG LEU B 38 27.534 -2.931 15.893 1.00 8.20 C -ATOM 1284 CD1 LEU B 38 27.680 -1.620 15.152 1.00 6.79 C -ATOM 1285 CD2 LEU B 38 26.049 -3.255 16.082 1.00 9.67 C -ATOM 1286 H LEU B 38 29.106 -5.046 12.686 1.00 15.00 H -ATOM 1287 N PRO B 39 31.437 -4.284 16.011 1.00 16.54 N -ATOM 1288 CA PRO B 39 32.392 -5.211 16.638 1.00 16.80 C -ATOM 1289 C PRO B 39 31.710 -6.381 17.333 1.00 18.98 C -ATOM 1290 O PRO B 39 30.861 -6.185 18.187 1.00 23.65 O -ATOM 1291 CB PRO B 39 33.194 -4.307 17.571 1.00 11.55 C -ATOM 1292 CG PRO B 39 32.285 -3.098 17.816 1.00 18.60 C -ATOM 1293 CD PRO B 39 31.499 -2.919 16.509 1.00 15.25 C -ATOM 1294 N GLY B 40 32.112 -7.602 16.940 1.00 19.65 N -ATOM 1295 CA GLY B 40 31.768 -8.774 17.771 1.00 19.46 C -ATOM 1296 C GLY B 40 31.086 -10.008 17.131 1.00 19.70 C -ATOM 1297 O GLY B 40 30.880 -10.132 15.928 1.00 16.77 O -ATOM 1298 H GLY B 40 32.609 -7.655 16.081 1.00 15.00 H -ATOM 1299 N LYS B 41 30.735 -10.942 18.032 1.00 22.02 N -ATOM 1300 CA LYS B 41 29.912 -12.108 17.617 1.00 23.82 C -ATOM 1301 C LYS B 41 28.393 -11.915 17.692 1.00 21.29 C -ATOM 1302 O LYS B 41 27.859 -11.242 18.567 1.00 25.33 O -ATOM 1303 CB LYS B 41 30.291 -13.337 18.450 1.00 28.74 C -ATOM 1304 CG LYS B 41 31.518 -14.026 17.845 1.00 36.82 C -ATOM 1305 CD LYS B 41 32.275 -14.891 18.859 1.00 43.84 C -ATOM 1306 CE LYS B 41 33.584 -15.475 18.292 1.00 50.21 C -ATOM 1307 NZ LYS B 41 34.272 -16.305 19.307 1.00 53.29 N -ATOM 1308 H LYS B 41 30.884 -10.710 18.991 1.00 15.00 H -ATOM 1309 HZ1 LYS B 41 34.471 -15.730 20.151 1.00 15.00 H -ATOM 1310 HZ2 LYS B 41 33.664 -17.106 19.573 1.00 15.00 H -ATOM 1311 HZ3 LYS B 41 35.165 -16.665 18.913 1.00 15.00 H -ATOM 1312 N TRP B 42 27.716 -12.539 16.733 1.00 17.46 N -ATOM 1313 CA TRP B 42 26.251 -12.403 16.649 1.00 13.49 C -ATOM 1314 C TRP B 42 25.510 -13.703 16.324 1.00 12.15 C -ATOM 1315 O TRP B 42 26.051 -14.654 15.782 1.00 14.95 O -ATOM 1316 CB TRP B 42 25.920 -11.301 15.634 1.00 12.14 C -ATOM 1317 CG TRP B 42 26.433 -11.709 14.276 1.00 13.33 C -ATOM 1318 CD1 TRP B 42 27.694 -11.399 13.751 1.00 11.85 C -ATOM 1319 CD2 TRP B 42 25.816 -12.577 13.295 1.00 13.96 C -ATOM 1320 NE1 TRP B 42 27.895 -12.010 12.555 1.00 15.10 N -ATOM 1321 CE2 TRP B 42 26.761 -12.752 12.231 1.00 16.59 C -ATOM 1322 CE3 TRP B 42 24.574 -13.230 13.225 1.00 15.64 C -ATOM 1323 CZ2 TRP B 42 26.437 -13.571 11.121 1.00 13.61 C -ATOM 1324 CZ3 TRP B 42 24.267 -14.045 12.116 1.00 15.99 C -ATOM 1325 CH2 TRP B 42 25.190 -14.212 11.063 1.00 13.09 C -ATOM 1326 H TRP B 42 28.224 -13.083 16.070 1.00 15.00 H -ATOM 1327 HE1 TRP B 42 28.703 -11.932 12.009 1.00 15.00 H -ATOM 1328 N LYS B 43 24.230 -13.726 16.645 1.00 14.76 N -ATOM 1329 CA LYS B 43 23.372 -14.840 16.156 1.00 15.01 C -ATOM 1330 C LYS B 43 22.199 -14.340 15.321 1.00 11.60 C -ATOM 1331 O LYS B 43 21.748 -13.221 15.518 1.00 8.57 O -ATOM 1332 CB LYS B 43 22.767 -15.644 17.315 1.00 16.41 C -ATOM 1333 CG LYS B 43 23.607 -15.698 18.598 1.00 25.64 C -ATOM 1334 CD LYS B 43 22.793 -16.192 19.807 1.00 30.49 C -ATOM 1335 CE LYS B 43 23.348 -15.681 21.147 1.00 36.04 C -ATOM 1336 NZ LYS B 43 22.471 -16.056 22.271 1.00 38.16 N -ATOM 1337 H LYS B 43 23.865 -12.950 17.161 1.00 15.00 H -ATOM 1338 HZ1 LYS B 43 22.222 -17.062 22.183 1.00 15.00 H -ATOM 1339 HZ2 LYS B 43 22.986 -15.906 23.162 1.00 15.00 H -ATOM 1340 HZ3 LYS B 43 21.605 -15.481 22.263 1.00 15.00 H -ATOM 1341 N PRO B 44 21.685 -15.153 14.386 1.00 11.50 N -ATOM 1342 CA PRO B 44 20.414 -14.773 13.752 1.00 10.15 C -ATOM 1343 C PRO B 44 19.083 -15.026 14.525 1.00 14.71 C -ATOM 1344 O PRO B 44 18.892 -15.789 15.474 1.00 15.94 O -ATOM 1345 CB PRO B 44 20.520 -15.507 12.434 1.00 7.39 C -ATOM 1346 CG PRO B 44 21.262 -16.797 12.740 1.00 10.30 C -ATOM 1347 CD PRO B 44 22.250 -16.379 13.839 1.00 15.80 C -ATOM 1348 N LYS B 45 18.106 -14.284 14.016 1.00 14.12 N -ATOM 1349 CA LYS B 45 16.794 -14.321 14.642 1.00 7.59 C -ATOM 1350 C LYS B 45 15.674 -14.033 13.602 1.00 10.68 C -ATOM 1351 O LYS B 45 15.874 -13.253 12.677 1.00 13.93 O -ATOM 1352 CB LYS B 45 16.948 -13.268 15.700 1.00 2.27 C -ATOM 1353 CG LYS B 45 16.151 -13.533 16.934 1.00 10.10 C -ATOM 1354 CD LYS B 45 15.901 -12.228 17.660 1.00 13.52 C -ATOM 1355 CE LYS B 45 14.845 -12.483 18.738 1.00 22.70 C -ATOM 1356 NZ LYS B 45 14.288 -11.214 19.244 1.00 24.26 N -ATOM 1357 H LYS B 45 18.350 -13.597 13.327 1.00 15.00 H -ATOM 1358 HZ1 LYS B 45 13.969 -10.630 18.445 1.00 15.00 H -ATOM 1359 HZ2 LYS B 45 13.480 -11.422 19.864 1.00 15.00 H -ATOM 1360 HZ3 LYS B 45 15.017 -10.705 19.784 1.00 15.00 H -ATOM 1361 N MET B 46 14.490 -14.663 13.752 1.00 15.78 N -ATOM 1362 CA MET B 46 13.281 -14.132 13.037 1.00 13.78 C -ATOM 1363 C MET B 46 12.336 -13.203 13.877 1.00 11.68 C -ATOM 1364 O MET B 46 11.738 -13.624 14.856 1.00 11.56 O -ATOM 1365 CB MET B 46 12.405 -15.249 12.457 1.00 7.23 C -ATOM 1366 CG MET B 46 13.121 -16.153 11.481 1.00 10.18 C -ATOM 1367 SD MET B 46 13.485 -15.302 9.972 1.00 15.69 S -ATOM 1368 CE MET B 46 11.863 -15.290 9.206 1.00 8.69 C -ATOM 1369 H MET B 46 14.423 -15.366 14.457 1.00 15.00 H -ATOM 1370 N ILE B 47 12.207 -11.923 13.471 1.00 11.05 N -ATOM 1371 CA ILE B 47 11.224 -11.056 14.153 1.00 8.18 C -ATOM 1372 C ILE B 47 10.063 -10.567 13.256 1.00 6.17 C -ATOM 1373 O ILE B 47 10.203 -10.268 12.071 1.00 4.21 O -ATOM 1374 CB ILE B 47 11.868 -9.870 14.915 1.00 6.47 C -ATOM 1375 CG1 ILE B 47 12.676 -8.934 14.035 1.00 8.49 C -ATOM 1376 CG2 ILE B 47 12.748 -10.294 16.084 1.00 2.00 C -ATOM 1377 CD1 ILE B 47 12.795 -7.565 14.730 1.00 7.40 C -ATOM 1378 H ILE B 47 12.692 -11.654 12.636 1.00 15.00 H -ATOM 1379 N GLY B 48 8.867 -10.542 13.860 1.00 7.20 N -ATOM 1380 CA GLY B 48 7.681 -10.220 13.032 1.00 8.57 C -ATOM 1381 C GLY B 48 6.758 -9.082 13.466 1.00 9.75 C -ATOM 1382 O GLY B 48 6.748 -8.612 14.598 1.00 8.98 O -ATOM 1383 H GLY B 48 8.821 -10.741 14.834 1.00 15.00 H -ATOM 1384 N GLY B 49 5.941 -8.656 12.514 1.00 13.64 N -ATOM 1385 CA GLY B 49 4.937 -7.642 12.885 1.00 12.84 C -ATOM 1386 C GLY B 49 4.027 -7.270 11.734 1.00 15.22 C -ATOM 1387 O GLY B 49 3.748 -8.129 10.915 1.00 18.27 O -ATOM 1388 H GLY B 49 5.989 -9.057 11.606 1.00 15.00 H -ATOM 1389 N ILE B 50 3.573 -6.002 11.639 1.00 13.68 N -ATOM 1390 CA ILE B 50 2.706 -5.646 10.491 1.00 11.58 C -ATOM 1391 C ILE B 50 3.278 -6.090 9.113 1.00 13.86 C -ATOM 1392 O ILE B 50 4.400 -5.782 8.730 1.00 20.94 O -ATOM 1393 CB ILE B 50 2.409 -4.126 10.524 1.00 10.42 C -ATOM 1394 CG1 ILE B 50 1.846 -3.670 11.872 1.00 7.91 C -ATOM 1395 CG2 ILE B 50 1.502 -3.590 9.395 1.00 2.54 C -ATOM 1396 CD1 ILE B 50 0.604 -4.431 12.287 1.00 8.46 C -ATOM 1397 H ILE B 50 3.886 -5.334 12.323 1.00 15.00 H -ATOM 1398 N GLY B 51 2.506 -6.887 8.376 1.00 12.85 N -ATOM 1399 CA GLY B 51 3.070 -7.232 7.062 1.00 11.85 C -ATOM 1400 C GLY B 51 3.804 -8.561 7.004 1.00 11.64 C -ATOM 1401 O GLY B 51 3.910 -9.207 5.975 1.00 13.97 O -ATOM 1402 H GLY B 51 1.636 -7.226 8.725 1.00 15.00 H -ATOM 1403 N GLY B 52 4.281 -8.956 8.192 1.00 10.16 N -ATOM 1404 CA GLY B 52 5.063 -10.188 8.325 1.00 8.77 C -ATOM 1405 C GLY B 52 6.412 -10.082 9.085 1.00 10.56 C -ATOM 1406 O GLY B 52 6.637 -9.230 9.933 1.00 11.23 O -ATOM 1407 H GLY B 52 4.104 -8.383 8.992 1.00 15.00 H -ATOM 1408 N PHE B 53 7.281 -11.045 8.747 1.00 11.07 N -ATOM 1409 CA PHE B 53 8.617 -11.307 9.317 1.00 11.70 C -ATOM 1410 C PHE B 53 9.829 -10.842 8.488 1.00 15.80 C -ATOM 1411 O PHE B 53 9.897 -11.013 7.274 1.00 18.07 O -ATOM 1412 CB PHE B 53 8.808 -12.806 9.572 1.00 4.31 C -ATOM 1413 CG PHE B 53 8.086 -13.211 10.823 1.00 4.87 C -ATOM 1414 CD1 PHE B 53 6.707 -13.481 10.761 1.00 6.81 C -ATOM 1415 CD2 PHE B 53 8.807 -13.338 12.023 1.00 2.00 C -ATOM 1416 CE1 PHE B 53 6.043 -13.950 11.908 1.00 10.37 C -ATOM 1417 CE2 PHE B 53 8.152 -13.838 13.157 1.00 4.35 C -ATOM 1418 CZ PHE B 53 6.780 -14.160 13.088 1.00 4.36 C -ATOM 1419 H PHE B 53 6.973 -11.592 7.970 1.00 15.00 H -ATOM 1420 N ILE B 54 10.807 -10.278 9.234 1.00 16.52 N -ATOM 1421 CA ILE B 54 12.170 -10.098 8.704 1.00 10.33 C -ATOM 1422 C ILE B 54 13.260 -10.938 9.408 1.00 9.77 C -ATOM 1423 O ILE B 54 13.132 -11.362 10.558 1.00 7.99 O -ATOM 1424 CB ILE B 54 12.572 -8.613 8.634 1.00 6.25 C -ATOM 1425 CG1 ILE B 54 12.653 -7.928 10.004 1.00 9.81 C -ATOM 1426 CG2 ILE B 54 11.639 -7.857 7.703 1.00 2.00 C -ATOM 1427 CD1 ILE B 54 13.384 -6.579 9.991 1.00 2.88 C -ATOM 1428 H ILE B 54 10.591 -10.082 10.192 1.00 15.00 H -ATOM 1429 N LYS B 55 14.367 -11.147 8.652 1.00 10.99 N -ATOM 1430 CA LYS B 55 15.595 -11.645 9.329 1.00 10.11 C -ATOM 1431 C LYS B 55 16.630 -10.591 9.723 1.00 5.92 C -ATOM 1432 O LYS B 55 16.878 -9.611 9.044 1.00 6.28 O -ATOM 1433 CB LYS B 55 16.267 -12.792 8.562 1.00 12.08 C -ATOM 1434 CG LYS B 55 17.209 -13.621 9.428 1.00 18.95 C -ATOM 1435 CD LYS B 55 17.995 -14.639 8.595 1.00 26.21 C -ATOM 1436 CE LYS B 55 19.344 -14.978 9.238 1.00 30.94 C -ATOM 1437 NZ LYS B 55 20.154 -15.900 8.409 1.00 35.50 N -ATOM 1438 H LYS B 55 14.363 -10.794 7.720 1.00 15.00 H -ATOM 1439 HZ1 LYS B 55 19.567 -16.713 8.131 1.00 15.00 H -ATOM 1440 HZ2 LYS B 55 20.484 -15.400 7.560 1.00 15.00 H -ATOM 1441 HZ3 LYS B 55 20.969 -16.233 8.962 1.00 15.00 H -ATOM 1442 N VAL B 56 17.170 -10.858 10.902 1.00 8.08 N -ATOM 1443 CA VAL B 56 17.925 -9.967 11.800 1.00 8.36 C -ATOM 1444 C VAL B 56 19.180 -10.675 12.405 1.00 9.26 C -ATOM 1445 O VAL B 56 19.237 -11.905 12.504 1.00 10.25 O -ATOM 1446 CB VAL B 56 16.825 -9.604 12.832 1.00 11.67 C -ATOM 1447 CG1 VAL B 56 17.084 -9.976 14.294 1.00 12.60 C -ATOM 1448 CG2 VAL B 56 16.255 -8.214 12.568 1.00 14.41 C -ATOM 1449 H VAL B 56 16.866 -11.733 11.281 1.00 15.00 H -ATOM 1450 N ARG B 57 20.168 -9.866 12.832 1.00 8.70 N -ATOM 1451 CA ARG B 57 21.337 -10.349 13.610 1.00 10.33 C -ATOM 1452 C ARG B 57 21.395 -9.718 14.992 1.00 10.16 C -ATOM 1453 O ARG B 57 21.362 -8.504 15.149 1.00 9.24 O -ATOM 1454 CB ARG B 57 22.727 -10.090 12.937 1.00 8.35 C -ATOM 1455 CG ARG B 57 22.713 -10.404 11.425 1.00 13.65 C -ATOM 1456 CD ARG B 57 24.024 -10.465 10.619 1.00 11.84 C -ATOM 1457 NE ARG B 57 24.804 -9.225 10.674 1.00 16.18 N -ATOM 1458 CZ ARG B 57 24.649 -8.242 9.749 1.00 22.99 C -ATOM 1459 NH1 ARG B 57 23.787 -8.366 8.737 1.00 24.07 N -ATOM 1460 NH2 ARG B 57 25.371 -7.121 9.840 1.00 19.42 N -ATOM 1461 H ARG B 57 20.044 -8.904 12.610 1.00 15.00 H -ATOM 1462 HE ARG B 57 25.451 -9.064 11.420 1.00 15.00 H -ATOM 1463 HH11 ARG B 57 23.234 -9.194 8.644 1.00 15.00 H -ATOM 1464 HH12 ARG B 57 23.691 -7.628 8.068 1.00 15.00 H -ATOM 1465 HH21 ARG B 57 26.017 -7.011 10.597 1.00 15.00 H -ATOM 1466 HH22 ARG B 57 25.270 -6.397 9.158 1.00 15.00 H -ATOM 1467 N GLN B 58 21.486 -10.570 15.988 1.00 7.03 N -ATOM 1468 CA GLN B 58 21.592 -10.082 17.357 1.00 10.22 C -ATOM 1469 C GLN B 58 22.996 -9.771 17.916 1.00 13.31 C -ATOM 1470 O GLN B 58 23.802 -10.678 18.113 1.00 16.89 O -ATOM 1471 CB GLN B 58 20.886 -11.120 18.237 1.00 12.64 C -ATOM 1472 CG GLN B 58 21.070 -10.886 19.729 1.00 17.77 C -ATOM 1473 CD GLN B 58 20.058 -11.736 20.440 1.00 25.70 C -ATOM 1474 OE1 GLN B 58 19.913 -12.907 20.192 1.00 33.64 O -ATOM 1475 NE2 GLN B 58 19.283 -11.126 21.315 1.00 30.17 N -ATOM 1476 H GLN B 58 21.408 -11.533 15.773 1.00 15.00 H -ATOM 1477 HE21 GLN B 58 18.621 -11.771 21.684 1.00 15.00 H -ATOM 1478 HE22 GLN B 58 19.338 -10.167 21.559 1.00 15.00 H -ATOM 1479 N TYR B 59 23.236 -8.475 18.241 1.00 11.16 N -ATOM 1480 CA TYR B 59 24.436 -8.173 19.042 1.00 7.33 C -ATOM 1481 C TYR B 59 24.160 -7.804 20.484 1.00 7.47 C -ATOM 1482 O TYR B 59 23.241 -7.060 20.840 1.00 10.58 O -ATOM 1483 CB TYR B 59 25.371 -7.105 18.436 1.00 4.61 C -ATOM 1484 CG TYR B 59 25.778 -7.327 16.992 1.00 2.00 C -ATOM 1485 CD1 TYR B 59 24.840 -7.147 15.954 1.00 3.44 C -ATOM 1486 CD2 TYR B 59 27.113 -7.657 16.698 1.00 2.40 C -ATOM 1487 CE1 TYR B 59 25.261 -7.249 14.608 1.00 7.27 C -ATOM 1488 CE2 TYR B 59 27.540 -7.767 15.353 1.00 2.54 C -ATOM 1489 CZ TYR B 59 26.618 -7.530 14.311 1.00 7.43 C -ATOM 1490 OH TYR B 59 27.042 -7.529 12.985 1.00 11.55 O -ATOM 1491 H TYR B 59 22.548 -7.789 17.999 1.00 15.00 H -ATOM 1492 HH TYR B 59 27.983 -7.657 12.954 1.00 15.00 H -ATOM 1493 N ASP B 60 25.010 -8.383 21.321 1.00 5.52 N -ATOM 1494 CA ASP B 60 24.952 -8.043 22.752 1.00 11.07 C -ATOM 1495 C ASP B 60 25.991 -7.060 23.263 1.00 13.43 C -ATOM 1496 O ASP B 60 27.047 -6.935 22.676 1.00 20.73 O -ATOM 1497 CB ASP B 60 25.082 -9.282 23.617 1.00 15.28 C -ATOM 1498 CG ASP B 60 23.954 -10.241 23.296 1.00 18.44 C -ATOM 1499 OD1 ASP B 60 22.860 -9.744 23.015 1.00 16.85 O -ATOM 1500 OD2 ASP B 60 24.181 -11.465 23.320 1.00 19.95 O -ATOM 1501 H ASP B 60 25.741 -8.939 20.927 1.00 15.00 H -ATOM 1502 N GLN B 61 25.680 -6.359 24.359 1.00 11.99 N -ATOM 1503 CA GLN B 61 26.655 -5.387 24.929 1.00 14.03 C -ATOM 1504 C GLN B 61 27.100 -4.131 24.148 1.00 12.65 C -ATOM 1505 O GLN B 61 28.092 -3.460 24.385 1.00 9.03 O -ATOM 1506 CB GLN B 61 27.843 -6.114 25.593 1.00 24.34 C -ATOM 1507 CG GLN B 61 27.531 -6.962 26.835 1.00 35.39 C -ATOM 1508 CD GLN B 61 26.983 -6.063 27.946 1.00 47.74 C -ATOM 1509 OE1 GLN B 61 26.140 -5.195 27.786 1.00 51.02 O -ATOM 1510 NE2 GLN B 61 27.471 -6.306 29.148 1.00 55.07 N -ATOM 1511 H GLN B 61 24.795 -6.513 24.791 1.00 15.00 H -ATOM 1512 HE21 GLN B 61 27.031 -5.678 29.788 1.00 15.00 H -ATOM 1513 HE22 GLN B 61 28.160 -6.986 29.364 1.00 15.00 H -ATOM 1514 N ILE B 62 26.251 -3.796 23.179 1.00 15.70 N -ATOM 1515 CA ILE B 62 26.481 -2.555 22.443 1.00 12.03 C -ATOM 1516 C ILE B 62 26.180 -1.354 23.300 1.00 14.39 C -ATOM 1517 O ILE B 62 25.092 -1.272 23.856 1.00 12.23 O -ATOM 1518 CB ILE B 62 25.600 -2.457 21.182 1.00 5.49 C -ATOM 1519 CG1 ILE B 62 25.559 -3.776 20.432 1.00 5.59 C -ATOM 1520 CG2 ILE B 62 26.128 -1.327 20.278 1.00 3.31 C -ATOM 1521 CD1 ILE B 62 26.921 -4.324 19.958 1.00 7.41 C -ATOM 1522 H ILE B 62 25.381 -4.278 23.102 1.00 15.00 H -ATOM 1523 N PRO B 63 27.164 -0.428 23.385 1.00 15.61 N -ATOM 1524 CA PRO B 63 26.906 0.898 23.941 1.00 13.48 C -ATOM 1525 C PRO B 63 26.293 1.795 22.909 1.00 13.82 C -ATOM 1526 O PRO B 63 26.734 1.853 21.766 1.00 15.11 O -ATOM 1527 CB PRO B 63 28.303 1.391 24.340 1.00 14.26 C -ATOM 1528 CG PRO B 63 29.197 0.154 24.279 1.00 19.67 C -ATOM 1529 CD PRO B 63 28.572 -0.618 23.111 1.00 19.48 C -ATOM 1530 N VAL B 64 25.233 2.488 23.357 1.00 14.77 N -ATOM 1531 CA VAL B 64 24.634 3.508 22.485 1.00 13.40 C -ATOM 1532 C VAL B 64 24.339 4.803 23.230 1.00 15.46 C -ATOM 1533 O VAL B 64 23.944 4.810 24.387 1.00 16.60 O -ATOM 1534 CB VAL B 64 23.501 2.988 21.503 1.00 11.21 C -ATOM 1535 CG1 VAL B 64 22.926 1.611 21.779 1.00 3.55 C -ATOM 1536 CG2 VAL B 64 22.439 4.014 21.112 1.00 8.00 C -ATOM 1537 H VAL B 64 24.918 2.327 24.293 1.00 15.00 H -ATOM 1538 N GLU B 65 24.606 5.911 22.539 1.00 16.43 N -ATOM 1539 CA GLU B 65 24.175 7.152 23.161 1.00 18.66 C -ATOM 1540 C GLU B 65 22.979 7.838 22.511 1.00 19.98 C -ATOM 1541 O GLU B 65 22.969 8.218 21.351 1.00 20.05 O -ATOM 1542 CB GLU B 65 25.336 8.115 23.378 1.00 21.70 C -ATOM 1543 CG GLU B 65 24.919 9.208 24.341 1.00 29.65 C -ATOM 1544 CD GLU B 65 26.083 10.070 24.736 1.00 36.74 C -ATOM 1545 OE1 GLU B 65 26.320 11.055 24.038 1.00 38.38 O -ATOM 1546 OE2 GLU B 65 26.723 9.772 25.754 1.00 42.36 O -ATOM 1547 H GLU B 65 25.013 5.841 21.629 1.00 15.00 H -ATOM 1548 N ILE B 66 21.940 7.962 23.333 1.00 18.67 N -ATOM 1549 CA ILE B 66 20.655 8.450 22.838 1.00 21.20 C -ATOM 1550 C ILE B 66 20.204 9.728 23.515 1.00 22.01 C -ATOM 1551 O ILE B 66 20.030 9.800 24.731 1.00 17.93 O -ATOM 1552 CB ILE B 66 19.633 7.322 22.954 1.00 29.17 C -ATOM 1553 CG1 ILE B 66 18.184 7.765 22.953 1.00 29.67 C -ATOM 1554 CG2 ILE B 66 19.883 6.414 24.176 1.00 36.07 C -ATOM 1555 CD1 ILE B 66 17.378 6.470 22.919 1.00 37.39 C -ATOM 1556 H ILE B 66 22.084 7.662 24.277 1.00 15.00 H -ATOM 1557 N CYS B 67 20.130 10.773 22.653 1.00 21.67 N -ATOM 1558 CA CYS B 67 19.868 12.129 23.183 1.00 24.86 C -ATOM 1559 C CYS B 67 20.683 12.628 24.398 1.00 27.18 C -ATOM 1560 O CYS B 67 20.158 13.217 25.331 1.00 32.07 O -ATOM 1561 CB CYS B 67 18.379 12.323 23.536 1.00 26.01 C -ATOM 1562 SG CYS B 67 17.441 13.262 22.312 1.00 31.34 S -ATOM 1563 H CYS B 67 20.189 10.569 21.672 1.00 15.00 H -ATOM 1564 N GLY B 68 21.999 12.356 24.407 1.00 25.32 N -ATOM 1565 CA GLY B 68 22.716 12.679 25.663 1.00 19.59 C -ATOM 1566 C GLY B 68 22.794 11.604 26.757 1.00 19.67 C -ATOM 1567 O GLY B 68 23.457 11.726 27.772 1.00 20.47 O -ATOM 1568 H GLY B 68 22.406 11.891 23.626 1.00 15.00 H -ATOM 1569 N HIS B 69 22.110 10.491 26.512 1.00 19.22 N -ATOM 1570 CA HIS B 69 22.143 9.499 27.575 1.00 21.19 C -ATOM 1571 C HIS B 69 22.852 8.196 27.168 1.00 23.33 C -ATOM 1572 O HIS B 69 22.624 7.632 26.113 1.00 25.34 O -ATOM 1573 CB HIS B 69 20.703 9.191 28.092 1.00 25.56 C -ATOM 1574 CG HIS B 69 19.843 10.386 28.515 1.00 28.62 C -ATOM 1575 ND1 HIS B 69 19.325 10.554 29.754 1.00 28.41 N -ATOM 1576 CD2 HIS B 69 19.453 11.490 27.750 1.00 30.83 C -ATOM 1577 CE1 HIS B 69 18.641 11.738 29.777 1.00 30.39 C -ATOM 1578 NE2 HIS B 69 18.726 12.315 28.538 1.00 33.59 N -ATOM 1579 H HIS B 69 21.463 10.446 25.757 1.00 15.00 H -ATOM 1580 HD1 HIS B 69 19.357 9.932 30.504 1.00 15.00 H -ATOM 1581 N LYS B 70 23.683 7.692 28.070 1.00 26.10 N -ATOM 1582 CA LYS B 70 24.147 6.296 27.941 1.00 26.44 C -ATOM 1583 C LYS B 70 23.153 5.138 28.154 1.00 24.20 C -ATOM 1584 O LYS B 70 22.630 4.904 29.238 1.00 22.46 O -ATOM 1585 CB LYS B 70 25.305 5.947 28.897 1.00 32.97 C -ATOM 1586 CG LYS B 70 25.920 7.049 29.766 1.00 45.39 C -ATOM 1587 CD LYS B 70 27.070 7.863 29.144 1.00 55.83 C -ATOM 1588 CE LYS B 70 27.628 8.851 30.192 1.00 61.60 C -ATOM 1589 NZ LYS B 70 29.049 9.144 29.936 1.00 66.82 N -ATOM 1590 H LYS B 70 23.780 8.222 28.908 1.00 15.00 H -ATOM 1591 HZ1 LYS B 70 29.401 8.506 29.193 1.00 15.00 H -ATOM 1592 HZ2 LYS B 70 29.168 10.130 29.630 1.00 15.00 H -ATOM 1593 HZ3 LYS B 70 29.597 8.979 30.806 1.00 15.00 H -ATOM 1594 N ALA B 71 23.009 4.349 27.090 1.00 21.63 N -ATOM 1595 CA ALA B 71 22.576 2.978 27.368 1.00 18.01 C -ATOM 1596 C ALA B 71 23.596 1.930 26.894 1.00 16.20 C -ATOM 1597 O ALA B 71 24.524 2.199 26.131 1.00 17.84 O -ATOM 1598 CB ALA B 71 21.223 2.724 26.702 1.00 15.87 C -ATOM 1599 H ALA B 71 23.336 4.643 26.191 1.00 15.00 H -ATOM 1600 N ILE B 72 23.382 0.708 27.363 1.00 13.59 N -ATOM 1601 CA ILE B 72 24.104 -0.478 26.873 1.00 15.46 C -ATOM 1602 C ILE B 72 23.229 -1.722 26.797 1.00 13.71 C -ATOM 1603 O ILE B 72 22.621 -2.213 27.750 1.00 16.33 O -ATOM 1604 CB ILE B 72 25.348 -0.855 27.715 1.00 20.10 C -ATOM 1605 CG1 ILE B 72 26.167 0.377 28.088 1.00 26.26 C -ATOM 1606 CG2 ILE B 72 26.252 -1.857 26.968 1.00 20.07 C -ATOM 1607 CD1 ILE B 72 27.266 0.065 29.097 1.00 32.25 C -ATOM 1608 H ILE B 72 22.708 0.658 28.101 1.00 15.00 H -ATOM 1609 N GLY B 73 23.201 -2.239 25.596 1.00 11.67 N -ATOM 1610 CA GLY B 73 22.655 -3.574 25.482 1.00 8.87 C -ATOM 1611 C GLY B 73 22.522 -4.085 24.067 1.00 6.58 C -ATOM 1612 O GLY B 73 23.303 -3.787 23.177 1.00 5.20 O -ATOM 1613 H GLY B 73 23.670 -1.766 24.857 1.00 15.00 H -ATOM 1614 N THR B 74 21.478 -4.898 23.926 1.00 6.84 N -ATOM 1615 CA THR B 74 21.186 -5.594 22.663 1.00 11.08 C -ATOM 1616 C THR B 74 20.493 -4.851 21.500 1.00 14.36 C -ATOM 1617 O THR B 74 19.344 -4.398 21.562 1.00 14.96 O -ATOM 1618 CB THR B 74 20.471 -6.889 23.036 1.00 8.01 C -ATOM 1619 OG1 THR B 74 21.331 -7.561 23.970 1.00 8.78 O -ATOM 1620 CG2 THR B 74 20.123 -7.812 21.873 1.00 3.87 C -ATOM 1621 H THR B 74 20.903 -5.031 24.731 1.00 15.00 H -ATOM 1622 HG1 THR B 74 22.051 -7.890 23.448 1.00 15.00 H -ATOM 1623 N VAL B 75 21.280 -4.770 20.393 1.00 14.46 N -ATOM 1624 CA VAL B 75 20.635 -4.294 19.154 1.00 10.05 C -ATOM 1625 C VAL B 75 20.396 -5.411 18.134 1.00 11.79 C -ATOM 1626 O VAL B 75 21.175 -6.357 18.057 1.00 16.56 O -ATOM 1627 CB VAL B 75 21.386 -3.109 18.544 1.00 5.97 C -ATOM 1628 CG1 VAL B 75 21.650 -2.004 19.576 1.00 2.00 C -ATOM 1629 CG2 VAL B 75 22.664 -3.549 17.855 1.00 7.87 C -ATOM 1630 H VAL B 75 22.195 -5.175 20.425 1.00 15.00 H -ATOM 1631 N LEU B 76 19.274 -5.301 17.401 1.00 6.91 N -ATOM 1632 CA LEU B 76 19.017 -6.238 16.306 1.00 3.96 C -ATOM 1633 C LEU B 76 19.276 -5.547 14.995 1.00 5.63 C -ATOM 1634 O LEU B 76 18.674 -4.505 14.789 1.00 6.81 O -ATOM 1635 CB LEU B 76 17.553 -6.658 16.291 1.00 5.49 C -ATOM 1636 CG LEU B 76 17.041 -7.743 17.238 1.00 6.70 C -ATOM 1637 CD1 LEU B 76 17.919 -8.081 18.439 1.00 9.14 C -ATOM 1638 CD2 LEU B 76 15.677 -7.341 17.731 1.00 3.57 C -ATOM 1639 H LEU B 76 18.652 -4.536 17.575 1.00 15.00 H -ATOM 1640 N VAL B 77 20.185 -6.095 14.140 1.00 9.13 N -ATOM 1641 CA VAL B 77 20.380 -5.444 12.823 1.00 5.95 C -ATOM 1642 C VAL B 77 19.859 -6.220 11.609 1.00 8.66 C -ATOM 1643 O VAL B 77 19.810 -7.436 11.611 1.00 12.59 O -ATOM 1644 CB VAL B 77 21.782 -4.796 12.651 1.00 7.05 C -ATOM 1645 CG1 VAL B 77 22.481 -4.562 14.004 1.00 6.71 C -ATOM 1646 CG2 VAL B 77 22.699 -5.406 11.601 1.00 4.38 C -ATOM 1647 H VAL B 77 20.697 -6.896 14.446 1.00 15.00 H -ATOM 1648 N GLY B 78 19.381 -5.499 10.595 1.00 8.15 N -ATOM 1649 CA GLY B 78 18.603 -6.169 9.534 1.00 3.81 C -ATOM 1650 C GLY B 78 17.921 -5.111 8.659 1.00 5.65 C -ATOM 1651 O GLY B 78 18.077 -3.923 8.917 1.00 5.08 O -ATOM 1652 H GLY B 78 19.401 -4.503 10.690 1.00 15.00 H -ATOM 1653 N PRO B 79 17.158 -5.518 7.614 1.00 5.18 N -ATOM 1654 CA PRO B 79 16.657 -4.546 6.644 1.00 2.92 C -ATOM 1655 C PRO B 79 15.390 -3.757 7.007 1.00 9.24 C -ATOM 1656 O PRO B 79 14.341 -3.835 6.391 1.00 14.52 O -ATOM 1657 CB PRO B 79 16.548 -5.391 5.396 1.00 2.02 C -ATOM 1658 CG PRO B 79 16.054 -6.736 5.949 1.00 2.52 C -ATOM 1659 CD PRO B 79 16.794 -6.881 7.274 1.00 4.34 C -ATOM 1660 N THR B 80 15.532 -2.889 8.004 1.00 10.43 N -ATOM 1661 CA THR B 80 14.414 -1.968 8.250 1.00 10.86 C -ATOM 1662 C THR B 80 14.497 -0.600 7.557 1.00 13.07 C -ATOM 1663 O THR B 80 15.558 0.016 7.484 1.00 19.01 O -ATOM 1664 CB THR B 80 14.277 -1.755 9.751 1.00 9.00 C -ATOM 1665 OG1 THR B 80 13.272 -0.766 10.037 1.00 10.99 O -ATOM 1666 CG2 THR B 80 15.638 -1.318 10.308 1.00 12.20 C -ATOM 1667 H THR B 80 16.405 -2.887 8.491 1.00 15.00 H -ATOM 1668 HG1 THR B 80 13.456 -0.448 10.925 1.00 15.00 H -ATOM 1669 N PRO B 81 13.357 -0.063 7.046 1.00 12.42 N -ATOM 1670 CA PRO B 81 13.412 1.341 6.572 1.00 13.21 C -ATOM 1671 C PRO B 81 13.581 2.406 7.662 1.00 12.96 C -ATOM 1672 O PRO B 81 13.811 3.579 7.400 1.00 11.59 O -ATOM 1673 CB PRO B 81 12.105 1.495 5.796 1.00 11.64 C -ATOM 1674 CG PRO B 81 11.143 0.471 6.400 1.00 8.50 C -ATOM 1675 CD PRO B 81 12.053 -0.684 6.808 1.00 11.98 C -ATOM 1676 N VAL B 82 13.446 1.928 8.912 1.00 13.68 N -ATOM 1677 CA VAL B 82 13.561 2.838 10.064 1.00 13.36 C -ATOM 1678 C VAL B 82 14.236 2.271 11.334 1.00 13.68 C -ATOM 1679 O VAL B 82 14.088 1.127 11.760 1.00 16.22 O -ATOM 1680 CB VAL B 82 12.166 3.484 10.323 1.00 14.41 C -ATOM 1681 CG1 VAL B 82 11.063 2.448 10.552 1.00 15.43 C -ATOM 1682 CG2 VAL B 82 12.195 4.590 11.382 1.00 11.95 C -ATOM 1683 H VAL B 82 13.191 0.971 9.049 1.00 15.00 H -ATOM 1684 N ASN B 83 15.025 3.157 11.932 1.00 12.01 N -ATOM 1685 CA ASN B 83 15.666 2.791 13.194 1.00 10.29 C -ATOM 1686 C ASN B 83 14.749 2.975 14.382 1.00 10.32 C -ATOM 1687 O ASN B 83 14.326 4.076 14.683 1.00 10.57 O -ATOM 1688 CB ASN B 83 16.893 3.665 13.454 1.00 12.27 C -ATOM 1689 CG ASN B 83 18.006 3.484 12.423 1.00 15.73 C -ATOM 1690 OD1 ASN B 83 18.331 2.413 11.945 1.00 15.61 O -ATOM 1691 ND2 ASN B 83 18.625 4.608 12.090 1.00 14.21 N -ATOM 1692 H ASN B 83 15.112 4.055 11.508 1.00 15.00 H -ATOM 1693 HD21 ASN B 83 19.364 4.496 11.434 1.00 15.00 H -ATOM 1694 HD22 ASN B 83 18.324 5.482 12.478 1.00 15.00 H -ATOM 1695 N ILE B 84 14.477 1.868 15.060 1.00 9.64 N -ATOM 1696 CA ILE B 84 13.566 1.901 16.204 1.00 6.41 C -ATOM 1697 C ILE B 84 14.247 1.541 17.523 1.00 4.30 C -ATOM 1698 O ILE B 84 14.832 0.478 17.661 1.00 2.00 O -ATOM 1699 CB ILE B 84 12.385 0.935 15.879 1.00 10.02 C -ATOM 1700 CG1 ILE B 84 11.366 1.514 14.928 1.00 8.83 C -ATOM 1701 CG2 ILE B 84 11.566 0.418 17.051 1.00 13.45 C -ATOM 1702 CD1 ILE B 84 10.834 0.320 14.179 1.00 13.89 C -ATOM 1703 H ILE B 84 14.881 1.013 14.728 1.00 15.00 H -ATOM 1704 N ILE B 85 14.100 2.481 18.481 1.00 2.41 N -ATOM 1705 CA ILE B 85 14.438 2.258 19.883 1.00 2.00 C -ATOM 1706 C ILE B 85 13.254 1.658 20.664 1.00 4.79 C -ATOM 1707 O ILE B 85 12.239 2.291 20.911 1.00 7.52 O -ATOM 1708 CB ILE B 85 14.902 3.586 20.555 1.00 2.00 C -ATOM 1709 CG1 ILE B 85 16.010 4.266 19.743 1.00 5.76 C -ATOM 1710 CG2 ILE B 85 15.426 3.416 22.009 1.00 2.00 C -ATOM 1711 CD1 ILE B 85 17.379 3.572 19.680 1.00 2.00 C -ATOM 1712 H ILE B 85 13.583 3.301 18.224 1.00 15.00 H -ATOM 1713 N GLY B 86 13.433 0.396 21.043 1.00 5.77 N -ATOM 1714 CA GLY B 86 12.423 -0.340 21.815 1.00 2.16 C -ATOM 1715 C GLY B 86 12.550 -0.181 23.328 1.00 4.53 C -ATOM 1716 O GLY B 86 13.503 0.392 23.860 1.00 6.76 O -ATOM 1717 H GLY B 86 14.339 0.022 20.849 1.00 15.00 H -ATOM 1718 N ARG B 87 11.557 -0.749 24.017 1.00 3.38 N -ATOM 1719 CA ARG B 87 11.510 -0.755 25.479 1.00 2.44 C -ATOM 1720 C ARG B 87 12.725 -1.248 26.266 1.00 5.65 C -ATOM 1721 O ARG B 87 12.956 -0.806 27.381 1.00 13.25 O -ATOM 1722 CB ARG B 87 10.290 -1.528 25.906 1.00 7.47 C -ATOM 1723 CG ARG B 87 8.917 -0.959 25.491 1.00 8.87 C -ATOM 1724 CD ARG B 87 7.801 -2.039 25.487 1.00 7.94 C -ATOM 1725 NE ARG B 87 7.774 -2.654 26.794 1.00 5.94 N -ATOM 1726 CZ ARG B 87 8.189 -3.922 26.991 1.00 6.37 C -ATOM 1727 NH1 ARG B 87 8.179 -4.849 26.041 1.00 2.00 N -ATOM 1728 NH2 ARG B 87 8.637 -4.237 28.197 1.00 10.76 N -ATOM 1729 H ARG B 87 10.767 -1.026 23.480 1.00 15.00 H -ATOM 1730 HE ARG B 87 7.682 -2.071 27.601 1.00 15.00 H -ATOM 1731 HH11 ARG B 87 7.853 -4.627 25.123 1.00 15.00 H -ATOM 1732 HH12 ARG B 87 8.503 -5.772 26.246 1.00 15.00 H -ATOM 1733 HH21 ARG B 87 8.653 -3.541 28.915 1.00 15.00 H -ATOM 1734 HH22 ARG B 87 8.959 -5.165 28.391 1.00 15.00 H -ATOM 1735 N ASN B 88 13.552 -2.137 25.667 1.00 4.58 N -ATOM 1736 CA ASN B 88 14.830 -2.535 26.304 1.00 4.31 C -ATOM 1737 C ASN B 88 15.915 -1.471 26.592 1.00 6.99 C -ATOM 1738 O ASN B 88 16.718 -1.548 27.513 1.00 10.50 O -ATOM 1739 CB ASN B 88 15.458 -3.730 25.561 1.00 2.00 C -ATOM 1740 CG ASN B 88 16.103 -3.340 24.263 1.00 4.25 C -ATOM 1741 OD1 ASN B 88 15.559 -2.581 23.473 1.00 6.48 O -ATOM 1742 ND2 ASN B 88 17.308 -3.865 24.045 1.00 2.00 N -ATOM 1743 H ASN B 88 13.264 -2.501 24.783 1.00 15.00 H -ATOM 1744 HD21 ASN B 88 17.747 -3.648 23.174 1.00 15.00 H -ATOM 1745 HD22 ASN B 88 17.759 -4.444 24.722 1.00 15.00 H -ATOM 1746 N LEU B 89 15.903 -0.476 25.702 1.00 6.35 N -ATOM 1747 CA LEU B 89 16.787 0.686 25.809 1.00 2.00 C -ATOM 1748 C LEU B 89 16.077 1.846 26.476 1.00 2.18 C -ATOM 1749 O LEU B 89 16.600 2.478 27.382 1.00 4.96 O -ATOM 1750 CB LEU B 89 17.326 1.021 24.395 1.00 3.14 C -ATOM 1751 CG LEU B 89 18.799 0.609 24.116 1.00 4.86 C -ATOM 1752 CD1 LEU B 89 19.161 -0.777 24.667 1.00 8.03 C -ATOM 1753 CD2 LEU B 89 19.205 0.739 22.651 1.00 2.06 C -ATOM 1754 H LEU B 89 15.259 -0.599 24.942 1.00 15.00 H -ATOM 1755 N LEU B 90 14.800 2.061 26.082 1.00 6.66 N -ATOM 1756 CA LEU B 90 13.932 3.133 26.689 1.00 6.20 C -ATOM 1757 C LEU B 90 13.854 3.200 28.214 1.00 4.35 C -ATOM 1758 O LEU B 90 13.775 4.235 28.869 1.00 5.39 O -ATOM 1759 CB LEU B 90 12.465 3.015 26.184 1.00 8.53 C -ATOM 1760 CG LEU B 90 11.936 3.857 24.981 1.00 5.53 C -ATOM 1761 CD1 LEU B 90 13.007 4.601 24.193 1.00 2.00 C -ATOM 1762 CD2 LEU B 90 10.944 3.065 24.112 1.00 3.50 C -ATOM 1763 H LEU B 90 14.483 1.528 25.293 1.00 15.00 H -ATOM 1764 N THR B 91 13.883 2.005 28.787 1.00 5.72 N -ATOM 1765 CA THR B 91 13.936 2.005 30.248 1.00 8.62 C -ATOM 1766 C THR B 91 15.238 2.497 30.906 1.00 12.11 C -ATOM 1767 O THR B 91 15.268 3.135 31.946 1.00 12.10 O -ATOM 1768 CB THR B 91 13.563 0.625 30.757 1.00 8.36 C -ATOM 1769 OG1 THR B 91 14.488 -0.364 30.335 1.00 9.15 O -ATOM 1770 CG2 THR B 91 12.176 0.247 30.265 1.00 2.92 C -ATOM 1771 H THR B 91 13.883 1.154 28.259 1.00 15.00 H -ATOM 1772 HG1 THR B 91 13.997 -1.180 30.314 1.00 15.00 H -ATOM 1773 N GLN B 92 16.343 2.259 30.192 1.00 13.30 N -ATOM 1774 CA GLN B 92 17.639 2.763 30.654 1.00 13.01 C -ATOM 1775 C GLN B 92 17.807 4.289 30.707 1.00 16.58 C -ATOM 1776 O GLN B 92 18.555 4.840 31.504 1.00 21.33 O -ATOM 1777 CB GLN B 92 18.749 2.149 29.811 1.00 11.12 C -ATOM 1778 CG GLN B 92 18.915 0.652 30.094 1.00 7.58 C -ATOM 1779 CD GLN B 92 20.064 0.116 29.278 1.00 7.51 C -ATOM 1780 OE1 GLN B 92 21.087 0.737 29.085 1.00 9.84 O -ATOM 1781 NE2 GLN B 92 19.884 -1.074 28.761 1.00 6.92 N -ATOM 1782 H GLN B 92 16.253 1.748 29.339 1.00 15.00 H -ATOM 1783 HE21 GLN B 92 20.713 -1.454 28.349 1.00 15.00 H -ATOM 1784 HE22 GLN B 92 18.987 -1.510 28.793 1.00 15.00 H -ATOM 1785 N ILE B 93 17.045 4.968 29.837 1.00 12.87 N -ATOM 1786 CA ILE B 93 17.188 6.422 29.880 1.00 11.98 C -ATOM 1787 C ILE B 93 16.200 7.226 30.748 1.00 15.56 C -ATOM 1788 O ILE B 93 16.194 8.452 30.763 1.00 18.42 O -ATOM 1789 CB ILE B 93 17.265 6.997 28.459 1.00 13.13 C -ATOM 1790 CG1 ILE B 93 15.894 6.880 27.787 1.00 8.28 C -ATOM 1791 CG2 ILE B 93 18.397 6.268 27.707 1.00 11.44 C -ATOM 1792 CD1 ILE B 93 15.838 7.301 26.320 1.00 2.00 C -ATOM 1793 H ILE B 93 16.524 4.453 29.159 1.00 15.00 H -ATOM 1794 N GLY B 94 15.333 6.473 31.472 1.00 18.70 N -ATOM 1795 CA GLY B 94 14.292 7.114 32.314 1.00 15.92 C -ATOM 1796 C GLY B 94 12.929 7.432 31.657 1.00 20.12 C -ATOM 1797 O GLY B 94 12.145 8.270 32.096 1.00 21.88 O -ATOM 1798 H GLY B 94 15.472 5.483 31.470 1.00 15.00 H -ATOM 1799 N CYS B 95 12.677 6.696 30.551 1.00 17.65 N -ATOM 1800 CA CYS B 95 11.518 7.078 29.755 1.00 13.90 C -ATOM 1801 C CYS B 95 10.172 6.552 30.232 1.00 15.16 C -ATOM 1802 O CYS B 95 9.972 5.378 30.537 1.00 15.03 O -ATOM 1803 CB CYS B 95 11.751 6.682 28.326 1.00 17.96 C -ATOM 1804 SG CYS B 95 10.719 7.651 27.244 1.00 24.85 S -ATOM 1805 H CYS B 95 13.302 5.956 30.306 1.00 15.00 H -ATOM 1806 N THR B 96 9.255 7.512 30.304 1.00 14.17 N -ATOM 1807 CA THR B 96 7.892 7.277 30.822 1.00 10.50 C -ATOM 1808 C THR B 96 6.703 7.772 29.924 1.00 10.86 C -ATOM 1809 O THR B 96 6.776 8.715 29.137 1.00 10.68 O -ATOM 1810 CB THR B 96 7.876 7.836 32.244 1.00 7.42 C -ATOM 1811 OG1 THR B 96 7.122 7.049 33.131 1.00 18.33 O -ATOM 1812 CG2 THR B 96 7.423 9.268 32.346 1.00 7.05 C -ATOM 1813 H THR B 96 9.595 8.433 30.102 1.00 15.00 H -ATOM 1814 HG1 THR B 96 7.076 7.573 33.926 1.00 15.00 H -ATOM 1815 N LEU B 97 5.572 7.068 30.017 1.00 12.50 N -ATOM 1816 CA LEU B 97 4.381 7.555 29.292 1.00 9.08 C -ATOM 1817 C LEU B 97 3.341 8.244 30.248 1.00 10.28 C -ATOM 1818 O LEU B 97 2.995 7.752 31.323 1.00 4.98 O -ATOM 1819 CB LEU B 97 3.930 6.335 28.456 1.00 6.81 C -ATOM 1820 CG LEU B 97 2.975 6.301 27.249 1.00 2.00 C -ATOM 1821 CD1 LEU B 97 3.278 7.121 25.993 1.00 2.00 C -ATOM 1822 CD2 LEU B 97 3.030 4.874 26.782 1.00 2.00 C -ATOM 1823 H LEU B 97 5.557 6.271 30.624 1.00 15.00 H -ATOM 1824 N ASN B 98 2.906 9.456 29.840 1.00 11.81 N -ATOM 1825 CA ASN B 98 2.027 10.258 30.712 1.00 14.60 C -ATOM 1826 C ASN B 98 0.815 10.898 30.041 1.00 17.08 C -ATOM 1827 O ASN B 98 0.770 11.025 28.820 1.00 16.80 O -ATOM 1828 CB ASN B 98 2.741 11.428 31.309 1.00 15.57 C -ATOM 1829 CG ASN B 98 3.799 10.997 32.279 1.00 18.53 C -ATOM 1830 OD1 ASN B 98 4.988 11.013 32.015 1.00 14.88 O -ATOM 1831 ND2 ASN B 98 3.330 10.741 33.486 1.00 17.86 N -ATOM 1832 H ASN B 98 3.227 9.802 28.954 1.00 15.00 H -ATOM 1833 HD21 ASN B 98 4.036 10.609 34.175 1.00 15.00 H -ATOM 1834 HD22 ASN B 98 2.344 10.686 33.628 1.00 15.00 H -ATOM 1835 N PHE B 99 -0.104 11.294 30.941 1.00 20.23 N -ATOM 1836 CA PHE B 99 -1.522 10.899 31.041 1.00 20.55 C -ATOM 1837 C PHE B 99 -2.234 11.277 32.355 1.00 15.56 C -ATOM 1838 O PHE B 99 -3.448 11.150 32.489 0.00 16.69 O -ATOM 1839 CB PHE B 99 -2.373 11.019 29.759 1.00 22.25 C -ATOM 1840 CG PHE B 99 -2.820 9.586 29.541 1.00 25.51 C -ATOM 1841 CD1 PHE B 99 -1.892 8.647 29.026 1.00 25.13 C -ATOM 1842 CD2 PHE B 99 -4.113 9.170 29.940 1.00 28.47 C -ATOM 1843 CE1 PHE B 99 -2.222 7.274 28.976 1.00 21.04 C -ATOM 1844 CE2 PHE B 99 -4.446 7.799 29.894 1.00 25.86 C -ATOM 1845 CZ PHE B 99 -3.488 6.863 29.441 1.00 24.17 C -ATOM 1846 OXT PHE B 99 -1.554 11.525 33.354 0.00 16.69 O -ATOM 1847 H PHE B 99 0.193 11.604 31.840 1.00 15.00 H -TER 1848 PHE B 99 -HETATM 1849 C1 ARQ A 401 1.474 1.321 11.354 1.00 10.36 C -HETATM 1850 C2 ARQ A 401 0.562 0.252 12.036 1.00 10.59 C -HETATM 1851 C3 ARQ A 401 0.675 2.633 11.410 1.00 7.58 C -HETATM 1852 C4 ARQ A 401 1.852 1.006 9.891 1.00 4.50 C -HETATM 1853 O4 ARQ A 401 2.664 1.554 12.108 1.00 13.55 O -HETATM 1854 C30 ARQ A 401 3.511 0.571 12.400 1.00 11.18 C -HETATM 1855 O3 ARQ A 401 3.399 -0.533 11.970 1.00 9.15 O -HETATM 1856 N1 ARQ A 401 4.497 0.994 13.193 1.00 11.89 N -HETATM 1857 C5 ARQ A 401 5.716 0.269 13.558 1.00 14.02 C -HETATM 1858 C6 ARQ A 401 6.953 1.163 13.346 1.00 9.73 C -HETATM 1859 C7 ARQ A 401 6.975 1.824 11.998 1.00 9.34 C -HETATM 1860 C8 ARQ A 401 6.815 1.051 10.826 1.00 8.95 C -HETATM 1861 C9 ARQ A 401 6.791 1.701 9.574 1.00 6.26 C -HETATM 1862 C10 ARQ A 401 6.927 3.110 9.519 1.00 5.40 C -HETATM 1863 C11 ARQ A 401 7.114 3.232 11.941 1.00 8.18 C -HETATM 1864 C12 ARQ A 401 7.085 3.888 10.692 1.00 5.52 C -HETATM 1865 C13 ARQ A 401 5.642 -0.319 14.998 1.00 12.77 C -HETATM 1866 O1 ARQ A 401 5.248 0.651 15.980 1.00 8.69 O -HETATM 1867 C14 ARQ A 401 4.669 -1.525 15.008 1.00 14.15 C -HETATM 1868 N2 ARQ A 401 4.998 -2.669 15.910 1.00 16.35 N -HETATM 1869 C22 ARQ A 401 5.441 -2.219 17.249 1.00 15.50 C -HETATM 1870 C15 ARQ A 401 3.718 -3.441 16.024 1.00 12.33 C -HETATM 1871 C16 ARQ A 401 3.724 -4.695 16.883 1.00 6.95 C -HETATM 1872 C17 ARQ A 401 4.055 -5.940 16.308 1.00 9.51 C -HETATM 1873 C18 ARQ A 401 4.162 -7.106 17.109 1.00 9.70 C -HETATM 1874 C19 ARQ A 401 3.957 -7.006 18.505 1.00 3.77 C -HETATM 1875 C20 ARQ A 401 3.386 -4.632 18.248 1.00 8.21 C -HETATM 1876 C21 ARQ A 401 3.502 -5.791 19.063 1.00 7.45 C -HETATM 1877 N3 ARQ A 401 6.121 -3.333 15.291 1.00 13.41 N -HETATM 1878 C23 ARQ A 401 6.067 -4.033 14.140 1.00 20.01 C -HETATM 1879 O2 ARQ A 401 5.015 -4.224 13.523 1.00 22.49 O -HETATM 1880 C27 ARQ A 401 7.360 -4.579 13.674 1.00 23.08 C -HETATM 1881 C26 ARQ A 401 7.343 -5.490 12.582 1.00 23.69 C -HETATM 1882 C25 ARQ A 401 8.521 -6.101 12.123 1.00 18.68 C -HETATM 1883 C24 ARQ A 401 9.714 -5.796 12.796 1.00 19.95 C -HETATM 1884 C28 ARQ A 401 8.593 -4.222 14.279 1.00 25.64 C -HETATM 1885 C29 ARQ A 401 9.781 -4.839 13.838 1.00 23.32 C -HETATM 1886 HN1 ARQ A 401 4.325 1.941 13.433 0.00 0.00 H -HETATM 1887 H5 ARQ A 401 5.812 -0.555 12.861 0.00 0.00 H -HETATM 1888 H13 ARQ A 401 6.691 -0.707 15.134 0.00 0.00 H -HETATM 1889 HO1 ARQ A 401 4.272 0.697 16.063 0.00 0.00 H -HETATM 1890 HN3 ARQ A 401 7.032 -3.144 15.636 0.00 0.00 H -HETATM 1891 O HOH A 402 5.120 -2.430 11.475 1.00 17.90 O -HETATM 1892 H1 HOH A 402 4.703 -2.628 12.329 0.00 20.00 H -HETATM 1893 H2 HOH A 402 4.811 -1.521 11.387 0.00 20.00 H -HETATM 1894 O HOH A 403 8.333 -4.450 17.823 1.00 17.83 O -HETATM 1895 H1 HOH A 403 8.259 -3.544 17.504 0.00 20.00 H -HETATM 1896 H2 HOH A 403 7.430 -4.770 17.707 0.00 20.00 H -HETATM 1897 O HOH A 405 -1.392 10.401 12.400 1.00 25.70 O -HETATM 1898 H1 HOH A 405 -1.110 9.691 12.984 0.00 20.00 H -HETATM 1899 H2 HOH A 405 -1.196 11.201 12.890 0.00 20.00 H -HETATM 1900 O HOH A 406 -8.545 10.688 13.725 1.00 4.29 O -HETATM 1901 H1 HOH A 406 -8.105 11.169 13.015 0.00 20.00 H -HETATM 1902 H2 HOH A 406 -8.992 11.385 14.219 0.00 20.00 H -HETATM 1903 O HOH A 410 7.328 3.159 38.192 1.00 63.38 O -HETATM 1904 H1 HOH A 410 7.836 2.868 38.960 0.00 20.00 H -HETATM 1905 H2 HOH A 410 7.292 2.360 37.640 0.00 20.00 H -HETATM 1906 O HOH B 407 18.496 0.062 6.092 1.00 58.99 O -HETATM 1907 H1 HOH B 407 18.810 0.911 5.772 0.00 20.00 H -HETATM 1908 H2 HOH B 407 17.595 0.283 6.369 0.00 20.00 H -HETATM 1909 O HOH B 408 18.639 -4.883 26.553 1.00 13.69 O -HETATM 1910 H1 HOH B 408 19.047 -5.595 27.057 0.00 20.00 H -HETATM 1911 H2 HOH B 408 18.259 -4.326 27.243 0.00 20.00 H -HETATM 1912 O HOH B 409 10.120 3.111 32.180 1.00 13.85 O -HETATM 1913 H1 HOH B 409 10.839 3.269 32.796 0.00 20.00 H -HETATM 1914 H2 HOH B 409 10.029 3.959 31.733 0.00 20.00 H -CONECT 1849 1850 1851 1852 1853 -CONECT 1850 1849 -CONECT 1851 1849 -CONECT 1852 1849 -CONECT 1853 1849 1854 -CONECT 1854 1853 1855 1856 -CONECT 1855 1854 -CONECT 1856 1854 1857 1886 -CONECT 1857 1856 1858 1865 1887 -CONECT 1858 1857 1859 -CONECT 1859 1858 1860 1863 -CONECT 1860 1859 1861 -CONECT 1861 1860 1862 -CONECT 1862 1861 1864 -CONECT 1863 1859 1864 -CONECT 1864 1862 1863 -CONECT 1865 1857 1866 1867 1888 -CONECT 1866 1865 1889 -CONECT 1867 1865 1868 -CONECT 1868 1867 1869 1870 1877 -CONECT 1869 1868 -CONECT 1870 1868 1871 -CONECT 1871 1870 1872 1875 -CONECT 1872 1871 1873 -CONECT 1873 1872 1874 -CONECT 1874 1873 1876 -CONECT 1875 1871 1876 -CONECT 1876 1874 1875 -CONECT 1877 1868 1878 1890 -CONECT 1878 1877 1879 1880 -CONECT 1879 1878 -CONECT 1880 1878 1881 1884 -CONECT 1881 1880 1882 -CONECT 1882 1881 1883 -CONECT 1883 1882 1885 -CONECT 1884 1880 1885 -CONECT 1885 1883 1884 -CONECT 1886 1856 -CONECT 1887 1857 -CONECT 1888 1865 -CONECT 1889 1866 -CONECT 1890 1877 -MASTER 309 0 1 2 16 0 3 6 1912 2 42 16 -END diff --git a/moldesign/_tests/data/3aid.pdb.gz b/moldesign/_tests/data/3aid.pdb.gz new file mode 100644 index 0000000..591a75f Binary files /dev/null and b/moldesign/_tests/data/3aid.pdb.gz differ diff --git a/moldesign/_tests/data/3p3k.pdb b/moldesign/_tests/data/3p3k.pdb deleted file mode 100644 index b9f73ef..0000000 --- a/moldesign/_tests/data/3p3k.pdb +++ /dev/null @@ -1,1745 +0,0 @@ -HEADER METAL BINDING PROTEIN 05-OCT-10 3P3K -TITLE THE CRYSTAL STRUCTURE OF TRANSLATIONALLY CONTROLLED TUMOR PROTEIN -TITLE 2 (TCTP) OF PLASMODIUM FALCIPARUM -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: TRANSLATIONALLY-CONTROLLED TUMOR PROTEIN HOMOLOG; -COMPND 3 CHAIN: A; -COMPND 4 SYNONYM: TCTP; -COMPND 5 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; -SOURCE 3 ORGANISM_TAXID: 36329; -SOURCE 4 STRAIN: 3D7; -SOURCE 5 GENE: TCTP, PFE0545C; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS MAINLY BETA, METAL BINDING PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR T.EICHHORN,D.WINTER,N.DIRDJAJA,M.FRANK,L.KRAUTH-SIEGEL,J.GRANZIN, -AUTHOR 2 T.EFFERTH -REVDAT 3 09-JAN-13 3P3K 1 JRNL -REVDAT 2 07-NOV-12 3P3K 1 JRNL -REVDAT 1 09-NOV-11 3P3K 0 -JRNL AUTH T.EICHHORN,D.WINTER,B.BUCHELE,N.DIRDJAJA,M.FRANK, -JRNL AUTH 2 W.D.LEHMANN,R.MERTENS,R.L.KRAUTH-SIEGEL,T.SIMMET,J.GRANZIN, -JRNL AUTH 3 T.EFFERTH -JRNL TITL MOLECULAR INTERACTION OF ARTEMISININ WITH TRANSLATIONALLY -JRNL TITL 2 CONTROLLED TUMOR PROTEIN (TCTP) OF PLASMODIUM FALCIPARUM. -JRNL REF BIOCHEM PHARMACOL V. 85 38 2013 -JRNL REFN -JRNL PMID 23085438 -JRNL DOI 10.1016/J.BCP.2012.10.006 -REMARK 2 -REMARK 2 RESOLUTION. 2.55 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486) -REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN -REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- -REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, -REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL -REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE -REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM -REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, -REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER -REMARK 3 : ZWART -REMARK 3 -REMARK 3 REFINEMENT TARGET : ML -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.55 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.80 -REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 -REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5 -REMARK 3 NUMBER OF REFLECTIONS : 7436 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 R VALUE (WORKING + TEST SET) : 0.217 -REMARK 3 R VALUE (WORKING SET) : 0.216 -REMARK 3 FREE R VALUE : 0.240 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.600 -REMARK 3 FREE R VALUE TEST SET COUNT : 342 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). -REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE -REMARK 3 1 0.0000 - 0.0000 0.99 3644 183 0.0000 0.0000 -REMARK 3 2 0.0000 - 0.0000 0.98 3450 159 0.0000 0.0000 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL -REMARK 3 SOLVENT RADIUS : 1.20 -REMARK 3 SHRINKAGE RADIUS : 0.95 -REMARK 3 K_SOL : 0.35 -REMARK 3 B_SOL : 23.14 -REMARK 3 -REMARK 3 ERROR ESTIMATES. -REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.400 -REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 50.10 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.00 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : -3.27330 -REMARK 3 B22 (A**2) : -3.27330 -REMARK 3 B33 (A**2) : 6.54650 -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 TWINNING INFORMATION. -REMARK 3 FRACTION: NULL -REMARK 3 OPERATOR: NULL -REMARK 3 -REMARK 3 DEVIATIONS FROM IDEAL VALUES. -REMARK 3 RMSD COUNT -REMARK 3 BOND : 0.002 1388 -REMARK 3 ANGLE : 0.589 1863 -REMARK 3 CHIRALITY : 0.046 190 -REMARK 3 PLANARITY : 0.001 238 -REMARK 3 DIHEDRAL : 12.603 520 -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : NULL -REMARK 3 -REMARK 3 NCS DETAILS -REMARK 3 NUMBER OF NCS GROUPS : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 3P3K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-10. -REMARK 100 THE RCSB ID CODE IS RCSB061911. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 05-MAR-09 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 7.0 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : N -REMARK 200 RADIATION SOURCE : ROTATING ANODE -REMARK 200 BEAMLINE : NULL -REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 -REMARK 200 MONOCHROMATOR : GRAPHITE MONOCHROMATOR -REMARK 200 OPTICS : GRAPHITE MONOCHROMATOR -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 300 MM PLATE -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM -REMARK 200 DATA SCALING SOFTWARE : SCALA -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7436 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.550 -REMARK 200 RESOLUTION RANGE LOW (A) : 29.800 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 -REMARK 200 DATA REDUNDANCY : 4.900 -REMARK 200 R MERGE (I) : 0.05600 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.55 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 -REMARK 200 COMPLETENESS FOR SHELL (%) : 98.2 -REMARK 200 DATA REDUNDANCY IN SHELL : 5.10 -REMARK 200 R MERGE FOR SHELL (I) : 0.18200 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 7.600 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: MOLREP -REMARK 200 STARTING MODEL: PDB ENTRY 1TXJ -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 50.18 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.47 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 21.5 % PEG 4000, 1,6-HEXANEDIOL, 50 MM -REMARK 280 BIS-TRIS METHANE, 50MM MAGNESIUM ACETATE, PH 7.0, VAPOR -REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277.15K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 -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+1/2,X+1/2,Z+3/4 -REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 -REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 -REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 -REMARK 290 7555 Y,X,-Z -REMARK 290 8555 -Y,-X,-Z+1/2 -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.84200 -REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 30.92900 -REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 30.92900 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 83.76300 -REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 30.92900 -REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 30.92900 -REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.92100 -REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 30.92900 -REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 30.92900 -REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 83.76300 -REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 30.92900 -REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 30.92900 -REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 27.92100 -REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 55.84200 -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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 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 GLY A 48 -REMARK 465 ASN A 49 -REMARK 465 GLU A 50 -REMARK 465 ASP A 51 -REMARK 465 TYR A 52 -REMARK 465 GLY A 53 -REMARK 465 ILE A 54 -REMARK 465 ALA A 55 -REMARK 465 ASP A 56 -REMARK 465 ASN A 57 -REMARK 465 SER A 58 -REMARK 465 GLU A 59 -REMARK 465 ASP A 60 -REMARK 465 ALA A 61 -REMARK 465 VAL A 62 -REMARK 465 GLU A 63 -REMARK 465 GLY A 64 -REMARK 465 MET A 65 -REMARK 465 GLY A 66 -REMARK 465 ALA A 67 -REMARK 465 ASP A 68 -REMARK 465 VAL A 69 -REMARK 465 GLU A 70 -REMARK 465 HIS A 183 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 1TXJ RELATED DB: PDB -DBREF 3P3K A 5 175 UNP Q8I3Z5 TCTP_PLAF7 1 171 -SEQADV 3P3K MET A 1 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K GLU A 2 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K PHE A 3 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K ARG A 4 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K LEU A 176 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K GLU A 177 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 178 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 179 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 180 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 181 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 182 UNP Q8I3Z5 EXPRESSION TAG -SEQADV 3P3K HIS A 183 UNP Q8I3Z5 EXPRESSION TAG -SEQRES 1 A 183 MET GLU PHE ARG MET LYS VAL PHE LYS ASP VAL PHE THR -SEQRES 2 A 183 ASN ASP GLU VAL CYS SER ASP SER TYR VAL GLN GLN ASP -SEQRES 3 A 183 PRO PHE GLU VAL PRO GLU PHE ARG GLU ILE ALA PHE GLU -SEQRES 4 A 183 VAL LYS SER ASN LYS ARG ILE LYS GLY ASN GLU ASP TYR -SEQRES 5 A 183 GLY ILE ALA ASP ASN SER GLU ASP ALA VAL GLU GLY MET -SEQRES 6 A 183 GLY ALA ASP VAL GLU HIS VAL ILE ASP ILE VAL ASP SER -SEQRES 7 A 183 PHE GLN LEU THR SER THR ALA PHE SER LYS LYS GLU TYR -SEQRES 8 A 183 SER ALA TYR ILE LYS ASN TYR MET GLN LYS VAL ALA LYS -SEQRES 9 A 183 TYR LEU GLU GLU LYS LYS PRO ASP ARG VAL GLU ILE PHE -SEQRES 10 A 183 LYS THR LYS ALA GLN PRO PHE ILE LYS HIS ILE LEU THR -SEQRES 11 A 183 ASN PHE ASP ASP PHE GLU PHE TYR MET GLY GLU SER LEU -SEQRES 12 A 183 ASP MET GLU ALA GLY ILE ILE TYR SER TYR TYR LYS GLY -SEQRES 13 A 183 GLU GLU ILE THR PRO ARG PHE VAL TYR ILE SER ASP GLY -SEQRES 14 A 183 LEU PHE GLU GLU LYS TYR LEU GLU HIS HIS HIS HIS HIS -SEQRES 15 A 183 HIS -FORMUL 2 HOH *66(H2 O) -HELIX 1 1 ASP A 26 GLU A 35 5 10 -HELIX 2 2 ASP A 74 PHE A 79 1 6 -HELIX 3 3 SER A 87 LYS A 110 1 24 -HELIX 4 4 ARG A 113 ASN A 131 1 19 -HELIX 5 5 PHE A 132 PHE A 135 5 4 -SHEET 1 A 3 GLU A 16 SER A 19 0 -SHEET 2 A 3 PHE A 3 ASP A 10 -1 N PHE A 8 O VAL A 17 -SHEET 3 A 3 LEU A 170 GLU A 177 -1 O GLU A 177 N PHE A 3 -SHEET 1 B 5 ALA A 37 LYS A 41 0 -SHEET 2 B 5 ARG A 162 ILE A 166 -1 O TYR A 165 N PHE A 38 -SHEET 3 B 5 ILE A 150 TYR A 153 -1 N TYR A 151 O VAL A 164 -SHEET 4 B 5 GLU A 136 MET A 139 -1 N GLU A 136 O SER A 152 -SHEET 5 B 5 THR A 82 THR A 84 -1 N THR A 84 O PHE A 137 -SHEET 1 C 2 LYS A 44 ARG A 45 0 -SHEET 2 C 2 VAL A 72 ILE A 73 -1 O VAL A 72 N ARG A 45 -CRYST1 61.858 61.858 111.684 90.00 90.00 90.00 P 43 21 2 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 0.016166 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.016166 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.008954 0.00000 -ATOM 1 N MET A 1 -13.833 2.689 15.174 1.00 26.95 N -ATOM 2 CA MET A 1 -13.078 1.519 15.604 1.00 27.05 C -ATOM 3 C MET A 1 -11.745 1.458 14.866 1.00 25.13 C -ATOM 4 O MET A 1 -11.694 1.630 13.649 1.00 27.59 O -ATOM 5 CB MET A 1 -13.888 0.242 15.361 1.00 22.42 C -ATOM 6 CG MET A 1 -13.320 -1.000 16.031 1.00 31.24 C -ATOM 7 SD MET A 1 -14.544 -2.310 16.218 1.00 30.17 S -ATOM 8 CE MET A 1 -14.848 -2.746 14.504 1.00 32.47 C -ATOM 9 N GLU A 2 -10.668 1.223 15.608 1.00 24.40 N -ATOM 10 CA GLU A 2 -9.338 1.174 15.012 1.00 28.65 C -ATOM 11 C GLU A 2 -8.747 -0.233 14.981 1.00 28.82 C -ATOM 12 O GLU A 2 -8.899 -1.008 15.926 1.00 28.42 O -ATOM 13 CB GLU A 2 -8.390 2.153 15.706 1.00 29.95 C -ATOM 14 CG GLU A 2 -8.567 2.259 17.212 1.00 32.71 C -ATOM 15 CD GLU A 2 -7.851 3.470 17.782 1.00 43.90 C -ATOM 16 OE1 GLU A 2 -7.626 4.434 17.019 1.00 28.43 O -ATOM 17 OE2 GLU A 2 -7.513 3.460 18.985 1.00 43.99 O -ATOM 18 N PHE A 3 -8.076 -0.549 13.878 1.00 31.87 N -ATOM 19 CA PHE A 3 -7.489 -1.868 13.670 1.00 25.06 C -ATOM 20 C PHE A 3 -5.973 -1.764 13.554 1.00 27.28 C -ATOM 21 O PHE A 3 -5.457 -0.946 12.792 1.00 27.68 O -ATOM 22 CB PHE A 3 -8.056 -2.499 12.398 1.00 23.21 C -ATOM 23 CG PHE A 3 -9.549 -2.670 12.418 1.00 27.04 C -ATOM 24 CD1 PHE A 3 -10.390 -1.576 12.307 1.00 26.33 C -ATOM 25 CD2 PHE A 3 -10.109 -3.929 12.530 1.00 24.54 C -ATOM 26 CE1 PHE A 3 -11.760 -1.733 12.320 1.00 25.10 C -ATOM 27 CE2 PHE A 3 -11.479 -4.095 12.541 1.00 24.79 C -ATOM 28 CZ PHE A 3 -12.306 -2.995 12.436 1.00 27.56 C -ATOM 29 N ARG A 4 -5.261 -2.599 14.303 1.00 26.48 N -ATOM 30 CA ARG A 4 -3.802 -2.582 14.280 1.00 27.48 C -ATOM 31 C ARG A 4 -3.210 -3.907 13.810 1.00 26.27 C -ATOM 32 O ARG A 4 -3.704 -4.981 14.154 1.00 27.31 O -ATOM 33 CB ARG A 4 -3.252 -2.215 15.658 1.00 22.89 C -ATOM 34 CG ARG A 4 -3.649 -0.823 16.105 1.00 32.55 C -ATOM 35 CD ARG A 4 -3.482 -0.647 17.601 1.00 34.35 C -ATOM 36 NE ARG A 4 -4.341 0.420 18.103 1.00 41.56 N -ATOM 37 CZ ARG A 4 -4.002 1.703 18.124 1.00 44.02 C -ATOM 38 NH1 ARG A 4 -2.814 2.081 17.673 1.00 49.06 N -ATOM 39 NH2 ARG A 4 -4.848 2.608 18.596 1.00 45.47 N -ATOM 40 N MET A 5 -2.150 -3.816 13.015 1.00 24.04 N -ATOM 41 CA MET A 5 -1.443 -4.994 12.535 1.00 28.05 C -ATOM 42 C MET A 5 -0.115 -4.608 11.901 1.00 32.00 C -ATOM 43 O MET A 5 -0.029 -3.624 11.165 1.00 34.91 O -ATOM 44 CB MET A 5 -2.293 -5.774 11.528 1.00 27.15 C -ATOM 45 CG MET A 5 -1.552 -6.931 10.868 1.00 27.64 C -ATOM 46 SD MET A 5 -2.610 -7.929 9.802 1.00 36.49 S -ATOM 47 CE MET A 5 -3.758 -8.591 11.004 1.00 37.90 C -ATOM 48 N LYS A 6 0.920 -5.383 12.203 1.00 30.68 N -ATOM 49 CA LYS A 6 2.212 -5.224 11.554 1.00 27.52 C -ATOM 50 C LYS A 6 2.450 -6.400 10.615 1.00 29.99 C -ATOM 51 O LYS A 6 2.394 -7.558 11.030 1.00 28.97 O -ATOM 52 CB LYS A 6 3.333 -5.137 12.590 1.00 24.37 C -ATOM 53 CG LYS A 6 4.683 -4.754 12.005 1.00 34.34 C -ATOM 54 CD LYS A 6 5.756 -4.693 13.076 1.00 39.06 C -ATOM 55 CE LYS A 6 5.999 -6.063 13.681 1.00 46.59 C -ATOM 56 NZ LYS A 6 7.121 -6.036 14.658 1.00 57.59 N -ATOM 57 N VAL A 7 2.706 -6.102 9.347 1.00 28.18 N -ATOM 58 CA VAL A 7 2.919 -7.146 8.354 1.00 24.52 C -ATOM 59 C VAL A 7 4.362 -7.151 7.867 1.00 24.46 C -ATOM 60 O VAL A 7 5.086 -6.170 8.034 1.00 23.61 O -ATOM 61 CB VAL A 7 1.969 -6.986 7.153 1.00 25.84 C -ATOM 62 CG1 VAL A 7 0.527 -7.179 7.593 1.00 28.87 C -ATOM 63 CG2 VAL A 7 2.152 -5.624 6.509 1.00 31.94 C -ATOM 64 N PHE A 8 4.774 -8.266 7.270 1.00 24.13 N -ATOM 65 CA PHE A 8 6.126 -8.407 6.744 1.00 22.57 C -ATOM 66 C PHE A 8 6.089 -8.685 5.247 1.00 22.86 C -ATOM 67 O PHE A 8 5.486 -9.663 4.801 1.00 24.99 O -ATOM 68 CB PHE A 8 6.871 -9.521 7.477 1.00 25.33 C -ATOM 69 CG PHE A 8 7.060 -9.256 8.942 1.00 25.07 C -ATOM 70 CD1 PHE A 8 6.029 -9.482 9.839 1.00 21.39 C -ATOM 71 CD2 PHE A 8 8.265 -8.773 9.422 1.00 23.07 C -ATOM 72 CE1 PHE A 8 6.199 -9.235 11.187 1.00 21.65 C -ATOM 73 CE2 PHE A 8 8.441 -8.526 10.768 1.00 30.33 C -ATOM 74 CZ PHE A 8 7.407 -8.757 11.652 1.00 26.70 C -ATOM 75 N LYS A 9 6.739 -7.821 4.476 1.00 29.74 N -ATOM 76 CA LYS A 9 6.658 -7.890 3.023 1.00 24.24 C -ATOM 77 C LYS A 9 7.999 -8.178 2.357 1.00 24.67 C -ATOM 78 O LYS A 9 9.043 -7.711 2.806 1.00 28.83 O -ATOM 79 CB LYS A 9 6.084 -6.584 2.469 1.00 18.83 C -ATOM 80 CG LYS A 9 4.668 -6.278 2.924 1.00 24.45 C -ATOM 81 CD LYS A 9 4.186 -4.960 2.339 1.00 27.30 C -ATOM 82 CE LYS A 9 2.762 -4.644 2.768 1.00 34.98 C -ATOM 83 NZ LYS A 9 2.272 -3.377 2.156 1.00 32.64 N -ATOM 84 N ASP A 10 7.957 -8.953 1.278 1.00 22.78 N -ATOM 85 CA ASP A 10 9.129 -9.155 0.439 1.00 23.58 C -ATOM 86 C ASP A 10 9.535 -7.806 -0.144 1.00 26.43 C -ATOM 87 O ASP A 10 8.703 -7.089 -0.696 1.00 28.61 O -ATOM 88 CB ASP A 10 8.815 -10.149 -0.681 1.00 28.01 C -ATOM 89 CG ASP A 10 10.035 -10.510 -1.503 1.00 24.98 C -ATOM 90 OD1 ASP A 10 10.343 -9.777 -2.464 1.00 25.36 O -ATOM 91 OD2 ASP A 10 10.680 -11.533 -1.196 1.00 29.47 O -ATOM 92 N VAL A 11 10.808 -7.453 -0.005 1.00 27.19 N -ATOM 93 CA VAL A 11 11.286 -6.141 -0.434 1.00 27.07 C -ATOM 94 C VAL A 11 11.287 -5.979 -1.954 1.00 31.92 C -ATOM 95 O VAL A 11 11.467 -4.873 -2.464 1.00 34.26 O -ATOM 96 CB VAL A 11 12.697 -5.848 0.102 1.00 25.07 C -ATOM 97 CG1 VAL A 11 12.678 -5.747 1.620 1.00 25.83 C -ATOM 98 CG2 VAL A 11 13.671 -6.923 -0.356 1.00 27.78 C -ATOM 99 N PHE A 12 11.089 -7.078 -2.676 1.00 24.46 N -ATOM 100 CA PHE A 12 11.107 -7.034 -4.136 1.00 25.27 C -ATOM 101 C PHE A 12 9.702 -7.115 -4.725 1.00 31.14 C -ATOM 102 O PHE A 12 9.384 -6.419 -5.686 1.00 28.31 O -ATOM 103 CB PHE A 12 11.975 -8.161 -4.707 1.00 23.03 C -ATOM 104 CG PHE A 12 13.320 -8.284 -4.051 1.00 31.03 C -ATOM 105 CD1 PHE A 12 14.260 -7.275 -4.166 1.00 35.91 C -ATOM 106 CD2 PHE A 12 13.648 -9.419 -3.329 1.00 26.69 C -ATOM 107 CE1 PHE A 12 15.496 -7.390 -3.564 1.00 33.70 C -ATOM 108 CE2 PHE A 12 14.884 -9.541 -2.725 1.00 28.79 C -ATOM 109 CZ PHE A 12 15.809 -8.525 -2.843 1.00 32.55 C -ATOM 110 N THR A 13 8.865 -7.967 -4.144 1.00 28.64 N -ATOM 111 CA THR A 13 7.513 -8.172 -4.650 1.00 24.19 C -ATOM 112 C THR A 13 6.485 -7.388 -3.841 1.00 28.86 C -ATOM 113 O THR A 13 5.422 -7.038 -4.352 1.00 30.33 O -ATOM 114 CB THR A 13 7.127 -9.664 -4.650 1.00 24.54 C -ATOM 115 OG1 THR A 13 7.080 -10.147 -3.303 1.00 26.25 O -ATOM 116 CG2 THR A 13 8.141 -10.479 -5.441 1.00 25.99 C -ATOM 117 N ASN A 14 6.816 -7.113 -2.582 1.00 28.93 N -ATOM 118 CA ASN A 14 5.914 -6.423 -1.663 1.00 25.26 C -ATOM 119 C ASN A 14 4.813 -7.337 -1.135 1.00 23.36 C -ATOM 120 O ASN A 14 3.895 -6.888 -0.449 1.00 30.14 O -ATOM 121 CB ASN A 14 5.318 -5.168 -2.309 1.00 31.70 C -ATOM 122 CG ASN A 14 6.331 -4.046 -2.452 1.00 33.73 C -ATOM 123 OD1 ASN A 14 7.167 -3.833 -1.575 1.00 33.09 O -ATOM 124 ND2 ASN A 14 6.261 -3.323 -3.564 1.00 32.97 N -ATOM 125 N ASP A 15 4.915 -8.623 -1.457 1.00 23.86 N -ATOM 126 CA ASP A 15 3.966 -9.607 -0.958 1.00 21.69 C -ATOM 127 C ASP A 15 4.009 -9.683 0.562 1.00 22.89 C -ATOM 128 O ASP A 15 5.084 -9.641 1.163 1.00 22.66 O -ATOM 129 CB ASP A 15 4.269 -10.993 -1.529 1.00 22.45 C -ATOM 130 CG ASP A 15 4.076 -11.067 -3.029 1.00 26.87 C -ATOM 131 OD1 ASP A 15 3.388 -10.190 -3.594 1.00 27.18 O -ATOM 132 OD2 ASP A 15 4.608 -12.016 -3.642 1.00 25.87 O -ATOM 133 N GLU A 16 2.837 -9.795 1.179 1.00 25.38 N -ATOM 134 CA GLU A 16 2.759 -10.054 2.609 1.00 26.25 C -ATOM 135 C GLU A 16 2.950 -11.545 2.849 1.00 22.32 C -ATOM 136 O GLU A 16 2.215 -12.371 2.309 1.00 20.72 O -ATOM 137 CB GLU A 16 1.418 -9.597 3.177 1.00 22.34 C -ATOM 138 CG GLU A 16 1.201 -8.097 3.128 1.00 27.88 C -ATOM 139 CD GLU A 16 -0.121 -7.686 3.737 1.00 33.77 C -ATOM 140 OE1 GLU A 16 -0.833 -8.569 4.260 1.00 28.48 O -ATOM 141 OE2 GLU A 16 -0.450 -6.483 3.693 1.00 36.04 O -ATOM 142 N VAL A 17 3.948 -11.884 3.655 1.00 18.98 N -ATOM 143 CA VAL A 17 4.300 -13.279 3.882 1.00 18.83 C -ATOM 144 C VAL A 17 4.198 -13.672 5.353 1.00 20.29 C -ATOM 145 O VAL A 17 4.326 -14.847 5.693 1.00 19.48 O -ATOM 146 CB VAL A 17 5.713 -13.590 3.365 1.00 22.68 C -ATOM 147 CG1 VAL A 17 5.764 -13.472 1.845 1.00 19.50 C -ATOM 148 CG2 VAL A 17 6.731 -12.664 4.015 1.00 17.10 C -ATOM 149 N CYS A 18 3.977 -12.689 6.219 1.00 20.14 N -ATOM 150 CA CYS A 18 3.832 -12.949 7.648 1.00 18.03 C -ATOM 151 C CYS A 18 3.294 -11.720 8.374 1.00 21.17 C -ATOM 152 O CYS A 18 3.263 -10.624 7.813 1.00 22.43 O -ATOM 153 CB CYS A 18 5.171 -13.378 8.254 1.00 16.89 C -ATOM 154 SG CYS A 18 5.055 -14.086 9.917 1.00 24.77 S -ATOM 155 N SER A 19 2.865 -11.906 9.619 1.00 23.33 N -ATOM 156 CA SER A 19 2.345 -10.803 10.419 1.00 24.20 C -ATOM 157 C SER A 19 2.737 -10.949 11.886 1.00 28.74 C -ATOM 158 O SER A 19 3.300 -11.963 12.293 1.00 24.01 O -ATOM 159 CB SER A 19 0.822 -10.710 10.296 1.00 22.22 C -ATOM 160 OG SER A 19 0.182 -11.742 11.025 1.00 23.78 O -ATOM 161 N ASP A 20 2.427 -9.929 12.679 1.00 25.54 N -ATOM 162 CA ASP A 20 2.745 -9.939 14.103 1.00 22.89 C -ATOM 163 C ASP A 20 1.725 -10.752 14.897 1.00 27.65 C -ATOM 164 O ASP A 20 1.790 -10.818 16.126 1.00 25.29 O -ATOM 165 CB ASP A 20 2.838 -8.511 14.647 1.00 24.21 C -ATOM 166 CG ASP A 20 1.524 -7.762 14.551 1.00 30.42 C -ATOM 167 OD1 ASP A 20 0.611 -8.227 13.835 1.00 30.67 O -ATOM 168 OD2 ASP A 20 1.406 -6.696 15.190 1.00 33.18 O -ATOM 169 N SER A 21 0.782 -11.364 14.186 1.00 30.38 N -ATOM 170 CA SER A 21 -0.160 -12.290 14.800 1.00 28.02 C -ATOM 171 C SER A 21 0.569 -13.581 15.142 1.00 29.66 C -ATOM 172 O SER A 21 0.068 -14.410 15.902 1.00 33.74 O -ATOM 173 CB SER A 21 -1.331 -12.578 13.858 1.00 30.50 C -ATOM 174 OG SER A 21 -2.114 -11.417 13.648 1.00 30.11 O -ATOM 175 N TYR A 22 1.759 -13.739 14.574 1.00 29.58 N -ATOM 176 CA TYR A 22 2.579 -14.915 14.820 1.00 29.87 C -ATOM 177 C TYR A 22 3.829 -14.542 15.616 1.00 29.17 C -ATOM 178 O TYR A 22 4.674 -13.780 15.145 1.00 28.64 O -ATOM 179 CB TYR A 22 2.964 -15.579 13.496 1.00 25.22 C -ATOM 180 CG TYR A 22 1.784 -16.051 12.671 1.00 29.94 C -ATOM 181 CD1 TYR A 22 1.105 -15.178 11.824 1.00 28.75 C -ATOM 182 CD2 TYR A 22 1.351 -17.371 12.734 1.00 25.92 C -ATOM 183 CE1 TYR A 22 0.028 -15.607 11.068 1.00 26.70 C -ATOM 184 CE2 TYR A 22 0.274 -17.807 11.981 1.00 28.34 C -ATOM 185 CZ TYR A 22 -0.383 -16.922 11.150 1.00 27.61 C -ATOM 186 OH TYR A 22 -1.454 -17.355 10.399 1.00 29.36 O -ATOM 187 N VAL A 23 3.934 -15.078 16.828 1.00 30.03 N -ATOM 188 CA VAL A 23 5.077 -14.808 17.693 1.00 31.80 C -ATOM 189 C VAL A 23 6.359 -15.352 17.075 1.00 27.02 C -ATOM 190 O VAL A 23 6.394 -16.484 16.593 1.00 30.87 O -ATOM 191 CB VAL A 23 4.882 -15.422 19.091 1.00 31.56 C -ATOM 192 CG1 VAL A 23 6.129 -15.230 19.943 1.00 21.18 C -ATOM 193 CG2 VAL A 23 3.672 -14.806 19.770 1.00 31.96 C -ATOM 194 N GLN A 24 7.411 -14.540 17.095 1.00 26.89 N -ATOM 195 CA GLN A 24 8.682 -14.924 16.494 1.00 26.95 C -ATOM 196 C GLN A 24 9.595 -15.647 17.481 1.00 26.75 C -ATOM 197 O GLN A 24 9.570 -15.382 18.684 1.00 29.88 O -ATOM 198 CB GLN A 24 9.389 -13.702 15.902 1.00 24.41 C -ATOM 199 CG GLN A 24 8.643 -13.047 14.748 1.00 26.49 C -ATOM 200 CD GLN A 24 9.406 -11.881 14.149 1.00 28.57 C -ATOM 201 OE1 GLN A 24 10.426 -11.452 14.687 1.00 31.34 O -ATOM 202 NE2 GLN A 24 8.917 -11.363 13.028 1.00 32.17 N -ATOM 203 N GLN A 25 10.401 -16.563 16.953 1.00 27.66 N -ATOM 204 CA GLN A 25 11.307 -17.372 17.759 1.00 29.56 C -ATOM 205 C GLN A 25 12.607 -17.602 16.992 1.00 28.40 C -ATOM 206 O GLN A 25 12.652 -17.435 15.773 1.00 26.21 O -ATOM 207 CB GLN A 25 10.658 -18.718 18.090 1.00 32.25 C -ATOM 208 CG GLN A 25 9.290 -18.613 18.745 1.00 36.93 C -ATOM 209 CD GLN A 25 8.474 -19.886 18.597 1.00 57.56 C -ATOM 210 OE1 GLN A 25 9.022 -20.986 18.537 1.00 51.13 O -ATOM 211 NE2 GLN A 25 7.156 -19.739 18.527 1.00 46.43 N -ATOM 212 N ASP A 26 13.665 -17.977 17.704 1.00 26.56 N -ATOM 213 CA ASP A 26 14.935 -18.304 17.066 1.00 23.22 C -ATOM 214 C ASP A 26 14.762 -19.493 16.131 1.00 25.66 C -ATOM 215 O ASP A 26 14.247 -20.533 16.537 1.00 23.77 O -ATOM 216 CB ASP A 26 15.999 -18.633 18.116 1.00 21.93 C -ATOM 217 CG ASP A 26 16.160 -17.540 19.149 1.00 20.44 C -ATOM 218 OD1 ASP A 26 15.875 -16.371 18.825 1.00 25.14 O -ATOM 219 OD2 ASP A 26 16.575 -17.852 20.286 1.00 20.76 O -ATOM 220 N PRO A 27 15.190 -19.342 14.870 1.00 25.39 N -ATOM 221 CA PRO A 27 15.109 -20.450 13.913 1.00 23.19 C -ATOM 222 C PRO A 27 15.810 -21.700 14.442 1.00 25.38 C -ATOM 223 O PRO A 27 17.015 -21.668 14.694 1.00 20.80 O -ATOM 224 CB PRO A 27 15.853 -19.907 12.691 1.00 22.53 C -ATOM 225 CG PRO A 27 15.696 -18.428 12.789 1.00 20.89 C -ATOM 226 CD PRO A 27 15.747 -18.122 14.258 1.00 24.38 C -ATOM 227 N PHE A 28 15.056 -22.781 14.611 1.00 22.60 N -ATOM 228 CA PHE A 28 15.608 -24.045 15.080 1.00 20.21 C -ATOM 229 C PHE A 28 16.151 -23.932 16.503 1.00 22.45 C -ATOM 230 O PHE A 28 17.016 -24.709 16.906 1.00 26.08 O -ATOM 231 CB PHE A 28 16.713 -24.534 14.138 1.00 24.97 C -ATOM 232 CG PHE A 28 16.432 -24.280 12.683 1.00 21.29 C -ATOM 233 CD1 PHE A 28 15.477 -25.021 12.008 1.00 21.19 C -ATOM 234 CD2 PHE A 28 17.128 -23.304 11.989 1.00 20.56 C -ATOM 235 CE1 PHE A 28 15.217 -24.790 10.670 1.00 20.57 C -ATOM 236 CE2 PHE A 28 16.873 -23.068 10.652 1.00 23.38 C -ATOM 237 CZ PHE A 28 15.916 -23.811 9.991 1.00 21.29 C -ATOM 238 N GLU A 29 15.641 -22.960 17.255 1.00 28.04 N -ATOM 239 CA GLU A 29 16.086 -22.719 18.627 1.00 28.55 C -ATOM 240 C GLU A 29 17.533 -22.243 18.682 1.00 25.06 C -ATOM 241 O GLU A 29 18.165 -22.278 19.739 1.00 31.35 O -ATOM 242 CB GLU A 29 15.924 -23.973 19.491 1.00 24.69 C -ATOM 243 CG GLU A 29 14.482 -24.338 19.798 1.00 33.09 C -ATOM 244 CD GLU A 29 14.368 -25.530 20.732 1.00 38.17 C -ATOM 245 OE1 GLU A 29 14.946 -25.483 21.839 1.00 47.83 O -ATOM 246 OE2 GLU A 29 13.701 -26.516 20.354 1.00 43.71 O -ATOM 247 N VAL A 30 18.050 -21.801 17.541 1.00 25.91 N -ATOM 248 CA VAL A 30 19.418 -21.308 17.460 1.00 26.80 C -ATOM 249 C VAL A 30 19.444 -19.792 17.617 1.00 21.69 C -ATOM 250 O VAL A 30 19.026 -19.062 16.721 1.00 24.11 O -ATOM 251 CB VAL A 30 20.079 -21.707 16.132 1.00 23.27 C -ATOM 252 CG1 VAL A 30 21.501 -21.176 16.061 1.00 21.35 C -ATOM 253 CG2 VAL A 30 20.069 -23.218 15.974 1.00 24.27 C -ATOM 254 N PRO A 31 19.933 -19.319 18.771 1.00 24.55 N -ATOM 255 CA PRO A 31 19.984 -17.891 19.102 1.00 23.91 C -ATOM 256 C PRO A 31 20.783 -17.091 18.076 1.00 26.49 C -ATOM 257 O PRO A 31 20.387 -15.981 17.716 1.00 24.66 O -ATOM 258 CB PRO A 31 20.696 -17.875 20.459 1.00 21.91 C -ATOM 259 CG PRO A 31 20.425 -19.225 21.039 1.00 22.11 C -ATOM 260 CD PRO A 31 20.451 -20.156 19.866 1.00 25.80 C -ATOM 261 N GLU A 32 21.894 -17.653 17.612 1.00 28.09 N -ATOM 262 CA GLU A 32 22.751 -16.965 16.654 1.00 25.85 C -ATOM 263 C GLU A 32 22.019 -16.674 15.346 1.00 23.09 C -ATOM 264 O GLU A 32 22.316 -15.691 14.669 1.00 25.51 O -ATOM 265 CB GLU A 32 24.019 -17.779 16.374 1.00 28.68 C -ATOM 266 CG GLU A 32 24.915 -17.991 17.583 1.00 29.71 C -ATOM 267 CD GLU A 32 24.436 -19.116 18.477 1.00 35.07 C -ATOM 268 OE1 GLU A 32 23.581 -19.910 18.033 1.00 29.72 O -ATOM 269 OE2 GLU A 32 24.915 -19.206 19.627 1.00 38.25 O -ATOM 270 N PHE A 33 21.062 -17.527 14.995 1.00 23.92 N -ATOM 271 CA PHE A 33 20.326 -17.366 13.745 1.00 20.91 C -ATOM 272 C PHE A 33 19.329 -16.210 13.789 1.00 26.23 C -ATOM 273 O PHE A 33 18.965 -15.656 12.750 1.00 26.87 O -ATOM 274 CB PHE A 33 19.605 -18.662 13.368 1.00 17.51 C -ATOM 275 CG PHE A 33 20.528 -19.773 12.957 1.00 22.65 C -ATOM 276 CD1 PHE A 33 21.874 -19.530 12.748 1.00 25.24 C -ATOM 277 CD2 PHE A 33 20.047 -21.058 12.771 1.00 23.08 C -ATOM 278 CE1 PHE A 33 22.727 -20.550 12.369 1.00 26.22 C -ATOM 279 CE2 PHE A 33 20.893 -22.081 12.392 1.00 24.42 C -ATOM 280 CZ PHE A 33 22.235 -21.827 12.189 1.00 21.31 C -ATOM 281 N ARG A 34 18.896 -15.843 14.990 1.00 25.72 N -ATOM 282 CA ARG A 34 17.844 -14.842 15.149 1.00 23.84 C -ATOM 283 C ARG A 34 18.216 -13.494 14.536 1.00 24.68 C -ATOM 284 O ARG A 34 17.342 -12.680 14.230 1.00 25.36 O -ATOM 285 CB ARG A 34 17.495 -14.660 16.627 1.00 23.65 C -ATOM 286 CG ARG A 34 16.311 -13.742 16.871 1.00 22.59 C -ATOM 287 CD ARG A 34 15.041 -14.313 16.260 1.00 24.91 C -ATOM 288 NE ARG A 34 13.864 -13.520 16.603 1.00 25.34 N -ATOM 289 CZ ARG A 34 13.212 -13.617 17.757 1.00 25.81 C -ATOM 290 NH1 ARG A 34 13.628 -14.469 18.685 1.00 22.39 N -ATOM 291 NH2 ARG A 34 12.148 -12.859 17.988 1.00 22.53 N -ATOM 292 N GLU A 35 19.512 -13.266 14.353 1.00 28.08 N -ATOM 293 CA GLU A 35 19.998 -11.989 13.843 1.00 27.23 C -ATOM 294 C GLU A 35 19.574 -11.729 12.396 1.00 27.07 C -ATOM 295 O GLU A 35 19.369 -10.581 12.002 1.00 26.70 O -ATOM 296 CB GLU A 35 21.521 -11.917 13.960 1.00 25.05 C -ATOM 297 CG GLU A 35 22.113 -10.596 13.511 1.00 24.20 C -ATOM 298 CD GLU A 35 21.674 -9.436 14.382 1.00 31.47 C -ATOM 299 OE1 GLU A 35 21.536 -9.632 15.608 1.00 35.06 O -ATOM 300 OE2 GLU A 35 21.460 -8.331 13.841 1.00 32.64 O -ATOM 301 N ILE A 36 19.439 -12.794 11.611 1.00 26.62 N -ATOM 302 CA ILE A 36 19.127 -12.656 10.191 1.00 29.10 C -ATOM 303 C ILE A 36 17.924 -13.485 9.745 1.00 27.06 C -ATOM 304 O ILE A 36 17.672 -13.630 8.549 1.00 30.46 O -ATOM 305 CB ILE A 36 20.347 -13.012 9.310 1.00 26.26 C -ATOM 306 CG1 ILE A 36 21.019 -14.296 9.806 1.00 20.31 C -ATOM 307 CG2 ILE A 36 21.344 -11.865 9.297 1.00 26.21 C -ATOM 308 CD1 ILE A 36 20.245 -15.562 9.500 1.00 22.03 C -ATOM 309 N ALA A 37 17.186 -14.028 10.707 1.00 27.45 N -ATOM 310 CA ALA A 37 16.023 -14.849 10.394 1.00 28.41 C -ATOM 311 C ALA A 37 15.160 -15.077 11.630 1.00 24.64 C -ATOM 312 O ALA A 37 15.638 -14.958 12.758 1.00 27.62 O -ATOM 313 CB ALA A 37 16.459 -16.180 9.800 1.00 23.56 C -ATOM 314 N PHE A 38 13.887 -15.396 11.415 1.00 26.69 N -ATOM 315 CA PHE A 38 12.992 -15.727 12.520 1.00 25.41 C -ATOM 316 C PHE A 38 12.049 -16.876 12.178 1.00 25.90 C -ATOM 317 O PHE A 38 11.811 -17.174 11.007 1.00 21.20 O -ATOM 318 CB PHE A 38 12.204 -14.497 12.986 1.00 23.99 C -ATOM 319 CG PHE A 38 11.251 -13.954 11.958 1.00 32.07 C -ATOM 320 CD1 PHE A 38 9.965 -14.455 11.852 1.00 28.99 C -ATOM 321 CD2 PHE A 38 11.639 -12.935 11.106 1.00 20.60 C -ATOM 322 CE1 PHE A 38 9.086 -13.955 10.912 1.00 22.12 C -ATOM 323 CE2 PHE A 38 10.766 -12.430 10.163 1.00 21.58 C -ATOM 324 CZ PHE A 38 9.486 -12.939 10.065 1.00 22.22 C -ATOM 325 N GLU A 39 11.517 -17.510 13.218 1.00 28.36 N -ATOM 326 CA GLU A 39 10.660 -18.678 13.070 1.00 23.12 C -ATOM 327 C GLU A 39 9.307 -18.449 13.727 1.00 24.95 C -ATOM 328 O GLU A 39 9.215 -17.812 14.774 1.00 27.19 O -ATOM 329 CB GLU A 39 11.335 -19.907 13.687 1.00 23.69 C -ATOM 330 CG GLU A 39 10.437 -21.133 13.804 1.00 22.76 C -ATOM 331 CD GLU A 39 11.165 -22.337 14.373 1.00 32.26 C -ATOM 332 OE1 GLU A 39 12.180 -22.755 13.775 1.00 24.32 O -ATOM 333 OE2 GLU A 39 10.728 -22.861 15.421 1.00 27.46 O -ATOM 334 N VAL A 40 8.258 -18.965 13.101 1.00 22.59 N -ATOM 335 CA VAL A 40 6.919 -18.887 13.668 1.00 26.15 C -ATOM 336 C VAL A 40 6.218 -20.237 13.566 1.00 30.26 C -ATOM 337 O VAL A 40 6.514 -21.039 12.680 1.00 22.69 O -ATOM 338 CB VAL A 40 6.062 -17.811 12.967 1.00 23.02 C -ATOM 339 CG1 VAL A 40 6.700 -16.435 13.117 1.00 20.37 C -ATOM 340 CG2 VAL A 40 5.872 -18.157 11.503 1.00 24.30 C -ATOM 341 N LYS A 41 5.296 -20.487 14.489 1.00 31.26 N -ATOM 342 CA LYS A 41 4.541 -21.733 14.506 1.00 29.83 C -ATOM 343 C LYS A 41 3.207 -21.565 13.788 1.00 31.52 C -ATOM 344 O LYS A 41 2.497 -20.581 13.997 1.00 29.40 O -ATOM 345 CB LYS A 41 4.305 -22.187 15.947 1.00 26.01 C -ATOM 346 CG LYS A 41 3.318 -23.338 16.096 1.00 39.85 C -ATOM 347 CD LYS A 41 3.902 -24.653 15.602 1.00 36.47 C -ATOM 348 CE LYS A 41 2.986 -25.822 15.938 1.00 29.16 C -ATOM 349 NZ LYS A 41 3.544 -27.128 15.494 1.00 36.42 N -ATOM 350 N SER A 42 2.869 -22.527 12.937 1.00 33.11 N -ATOM 351 CA SER A 42 1.596 -22.494 12.232 1.00 29.96 C -ATOM 352 C SER A 42 0.576 -23.373 12.943 1.00 29.64 C -ATOM 353 O SER A 42 0.917 -24.133 13.850 1.00 32.27 O -ATOM 354 CB SER A 42 1.764 -22.954 10.785 1.00 27.06 C -ATOM 355 OG SER A 42 2.078 -24.330 10.712 1.00 23.01 O -ATOM 356 N ASN A 43 -0.682 -23.255 12.534 1.00 29.78 N -ATOM 357 CA ASN A 43 -1.749 -24.076 13.087 1.00 31.28 C -ATOM 358 C ASN A 43 -2.749 -24.508 12.024 1.00 33.29 C -ATOM 359 O ASN A 43 -2.712 -24.032 10.891 1.00 31.18 O -ATOM 360 CB ASN A 43 -2.474 -23.335 14.213 1.00 30.38 C -ATOM 361 CG ASN A 43 -1.718 -23.386 15.526 1.00 35.16 C -ATOM 362 OD1 ASN A 43 -1.734 -24.399 16.226 1.00 37.29 O -ATOM 363 ND2 ASN A 43 -1.059 -22.287 15.872 1.00 38.07 N -ATOM 364 N LYS A 44 -3.643 -25.415 12.399 1.00 37.25 N -ATOM 365 CA LYS A 44 -4.698 -25.857 11.501 1.00 28.48 C -ATOM 366 C LYS A 44 -5.809 -24.820 11.423 1.00 33.45 C -ATOM 367 O LYS A 44 -6.274 -24.311 12.443 1.00 34.28 O -ATOM 368 CB LYS A 44 -5.274 -27.196 11.960 1.00 33.26 C -ATOM 369 CG LYS A 44 -4.367 -28.386 11.724 1.00 40.98 C -ATOM 370 CD LYS A 44 -5.008 -29.656 12.254 1.00 39.51 C -ATOM 371 CE LYS A 44 -4.086 -30.854 12.106 1.00 51.19 C -ATOM 372 NZ LYS A 44 -4.671 -32.071 12.740 1.00 54.15 N -ATOM 373 N ARG A 45 -6.221 -24.506 10.201 1.00 30.95 N -ATOM 374 CA ARG A 45 -7.348 -23.615 9.969 1.00 30.85 C -ATOM 375 C ARG A 45 -8.465 -24.387 9.281 1.00 33.46 C -ATOM 376 O ARG A 45 -8.230 -25.085 8.295 1.00 32.10 O -ATOM 377 CB ARG A 45 -6.926 -22.418 9.117 1.00 31.18 C -ATOM 378 CG ARG A 45 -8.098 -21.645 8.532 1.00 28.71 C -ATOM 379 CD ARG A 45 -7.635 -20.407 7.783 1.00 30.35 C -ATOM 380 NE ARG A 45 -7.082 -19.397 8.681 1.00 35.61 N -ATOM 381 CZ ARG A 45 -6.689 -18.189 8.293 1.00 32.13 C -ATOM 382 NH1 ARG A 45 -6.790 -17.837 7.019 1.00 36.45 N -ATOM 383 NH2 ARG A 45 -6.197 -17.333 9.178 1.00 28.43 N -ATOM 384 N ILE A 46 -9.678 -24.264 9.808 1.00 43.33 N -ATOM 385 CA ILE A 46 -10.809 -25.039 9.311 1.00 57.57 C -ATOM 386 C ILE A 46 -11.356 -24.507 7.986 1.00 57.19 C -ATOM 387 O ILE A 46 -11.320 -23.305 7.723 1.00 46.82 O -ATOM 388 CB ILE A 46 -11.948 -25.108 10.351 1.00 64.87 C -ATOM 389 CG1 ILE A 46 -13.139 -25.882 9.782 1.00 70.80 C -ATOM 390 CG2 ILE A 46 -12.371 -23.712 10.778 1.00 59.52 C -ATOM 391 CD1 ILE A 46 -14.308 -25.984 10.731 1.00 75.72 C -ATOM 392 N LYS A 47 -11.854 -25.422 7.158 1.00 62.19 N -ATOM 393 CA LYS A 47 -12.427 -25.083 5.861 1.00 58.84 C -ATOM 394 C LYS A 47 -13.281 -23.819 5.944 1.00 60.25 C -ATOM 395 O LYS A 47 -14.298 -23.694 5.256 1.00 51.59 O -ATOM 396 CB LYS A 47 -13.265 -26.251 5.333 1.00 58.90 C -ATOM 397 CG LYS A 47 -12.552 -27.601 5.353 1.00 72.43 C -ATOM 398 CD LYS A 47 -13.500 -28.729 4.961 1.00 54.37 C -ATOM 399 CE LYS A 47 -12.789 -30.075 4.927 1.00 75.95 C -ATOM 400 NZ LYS A 47 -13.728 -31.193 4.615 1.00 73.10 N -ATOM 401 N HIS A 71 -9.076 -29.020 6.345 1.00 51.52 N -ATOM 402 CA HIS A 71 -8.263 -28.028 7.038 1.00 58.34 C -ATOM 403 C HIS A 71 -7.069 -27.606 6.191 1.00 46.86 C -ATOM 404 O HIS A 71 -6.630 -28.340 5.307 1.00 44.88 O -ATOM 405 CB HIS A 71 -7.769 -28.583 8.375 1.00 58.61 C -ATOM 406 CG HIS A 71 -8.861 -29.032 9.286 1.00 74.05 C -ATOM 407 ND1 HIS A 71 -9.403 -28.210 10.268 1.00 68.87 N -ATOM 408 CD2 HIS A 71 -9.520 -30.205 9.393 1.00 82.61 C -ATOM 409 CE1 HIS A 71 -10.336 -28.865 10.918 1.00 80.02 C -ATOM 410 NE2 HIS A 71 -10.433 -30.085 10.409 1.00 91.70 N -ATOM 411 N VAL A 72 -6.545 -26.417 6.469 1.00 37.33 N -ATOM 412 CA VAL A 72 -5.344 -25.934 5.802 1.00 31.62 C -ATOM 413 C VAL A 72 -4.396 -25.350 6.836 1.00 31.46 C -ATOM 414 O VAL A 72 -4.756 -25.203 8.004 1.00 33.42 O -ATOM 415 CB VAL A 72 -5.664 -24.850 4.756 1.00 30.56 C -ATOM 416 CG1 VAL A 72 -6.529 -25.420 3.641 1.00 29.97 C -ATOM 417 CG2 VAL A 72 -6.344 -23.659 5.416 1.00 25.80 C -ATOM 418 N ILE A 73 -3.182 -25.024 6.407 1.00 38.10 N -ATOM 419 CA ILE A 73 -2.222 -24.369 7.283 1.00 32.98 C -ATOM 420 C ILE A 73 -2.503 -22.877 7.270 1.00 24.63 C -ATOM 421 O ILE A 73 -2.572 -22.263 6.206 1.00 27.07 O -ATOM 422 CB ILE A 73 -0.775 -24.624 6.827 1.00 33.50 C -ATOM 423 CG1 ILE A 73 -0.515 -26.129 6.718 1.00 32.35 C -ATOM 424 CG2 ILE A 73 0.212 -23.966 7.782 1.00 21.51 C -ATOM 425 CD1 ILE A 73 -0.786 -26.883 8.000 1.00 36.63 C -ATOM 426 N ASP A 74 -2.676 -22.293 8.450 1.00 22.71 N -ATOM 427 CA ASP A 74 -3.053 -20.887 8.541 1.00 25.73 C -ATOM 428 C ASP A 74 -2.065 -19.964 7.839 1.00 25.04 C -ATOM 429 O ASP A 74 -2.468 -19.085 7.084 1.00 28.37 O -ATOM 430 CB ASP A 74 -3.256 -20.457 9.997 1.00 26.73 C -ATOM 431 CG ASP A 74 -2.084 -20.822 10.888 1.00 31.62 C -ATOM 432 OD1 ASP A 74 -1.021 -21.225 10.365 1.00 26.37 O -ATOM 433 OD2 ASP A 74 -2.227 -20.695 12.121 1.00 28.63 O -ATOM 434 N ILE A 75 -0.777 -20.167 8.090 1.00 23.59 N -ATOM 435 CA ILE A 75 0.264 -19.361 7.463 1.00 27.22 C -ATOM 436 C ILE A 75 0.126 -19.371 5.943 1.00 27.23 C -ATOM 437 O ILE A 75 0.049 -18.317 5.312 1.00 26.83 O -ATOM 438 CB ILE A 75 1.673 -19.854 7.849 1.00 28.44 C -ATOM 439 CG1 ILE A 75 2.001 -19.470 9.293 1.00 24.38 C -ATOM 440 CG2 ILE A 75 2.718 -19.268 6.915 1.00 24.77 C -ATOM 441 CD1 ILE A 75 2.437 -18.025 9.457 1.00 24.45 C -ATOM 442 N VAL A 76 0.087 -20.567 5.363 1.00 27.43 N -ATOM 443 CA VAL A 76 -0.025 -20.722 3.916 1.00 26.12 C -ATOM 444 C VAL A 76 -1.301 -20.086 3.363 1.00 26.78 C -ATOM 445 O VAL A 76 -1.262 -19.355 2.373 1.00 31.58 O -ATOM 446 CB VAL A 76 0.021 -22.208 3.510 1.00 28.05 C -ATOM 447 CG1 VAL A 76 -0.268 -22.366 2.026 1.00 23.87 C -ATOM 448 CG2 VAL A 76 1.371 -22.819 3.873 1.00 22.33 C -ATOM 449 N ASP A 77 -2.429 -20.370 4.009 1.00 27.75 N -ATOM 450 CA ASP A 77 -3.722 -19.846 3.580 1.00 25.29 C -ATOM 451 C ASP A 77 -3.794 -18.330 3.742 1.00 26.66 C -ATOM 452 O ASP A 77 -4.178 -17.613 2.819 1.00 32.93 O -ATOM 453 CB ASP A 77 -4.850 -20.516 4.375 1.00 25.10 C -ATOM 454 CG ASP A 77 -6.232 -20.066 3.931 1.00 23.89 C -ATOM 455 OD1 ASP A 77 -6.694 -20.522 2.864 1.00 27.70 O -ATOM 456 OD2 ASP A 77 -6.862 -19.267 4.655 1.00 27.57 O -ATOM 457 N SER A 78 -3.410 -17.850 4.920 1.00 27.39 N -ATOM 458 CA SER A 78 -3.550 -16.441 5.266 1.00 24.73 C -ATOM 459 C SER A 78 -2.773 -15.518 4.329 1.00 27.98 C -ATOM 460 O SER A 78 -3.230 -14.419 4.014 1.00 31.34 O -ATOM 461 CB SER A 78 -3.110 -16.207 6.714 1.00 27.01 C -ATOM 462 OG SER A 78 -4.046 -15.402 7.408 1.00 32.39 O -ATOM 463 N PHE A 79 -1.604 -15.965 3.883 1.00 26.27 N -ATOM 464 CA PHE A 79 -0.729 -15.119 3.077 1.00 24.36 C -ATOM 465 C PHE A 79 -0.562 -15.638 1.652 1.00 25.66 C -ATOM 466 O PHE A 79 0.353 -15.229 0.937 1.00 27.30 O -ATOM 467 CB PHE A 79 0.636 -14.967 3.755 1.00 22.98 C -ATOM 468 CG PHE A 79 0.560 -14.415 5.149 1.00 24.94 C -ATOM 469 CD1 PHE A 79 0.422 -13.054 5.363 1.00 18.65 C -ATOM 470 CD2 PHE A 79 0.622 -15.257 6.246 1.00 21.62 C -ATOM 471 CE1 PHE A 79 0.348 -12.544 6.643 1.00 20.20 C -ATOM 472 CE2 PHE A 79 0.550 -14.753 7.529 1.00 20.36 C -ATOM 473 CZ PHE A 79 0.413 -13.394 7.728 1.00 20.07 C -ATOM 474 N GLN A 80 -1.452 -16.538 1.250 1.00 26.80 N -ATOM 475 CA GLN A 80 -1.460 -17.070 -0.109 1.00 30.62 C -ATOM 476 C GLN A 80 -0.081 -17.526 -0.587 1.00 27.47 C -ATOM 477 O GLN A 80 0.367 -17.145 -1.668 1.00 32.65 O -ATOM 478 CB GLN A 80 -2.049 -16.044 -1.083 1.00 26.66 C -ATOM 479 CG GLN A 80 -3.548 -15.823 -0.910 1.00 37.92 C -ATOM 480 CD GLN A 80 -4.056 -14.599 -1.652 1.00 46.87 C -ATOM 481 OE1 GLN A 80 -3.928 -13.472 -1.173 1.00 46.62 O -ATOM 482 NE2 GLN A 80 -4.637 -14.816 -2.827 1.00 47.42 N -ATOM 483 N LEU A 81 0.586 -18.343 0.224 1.00 29.21 N -ATOM 484 CA LEU A 81 1.854 -18.942 -0.171 1.00 27.85 C -ATOM 485 C LEU A 81 1.590 -20.182 -1.012 1.00 29.61 C -ATOM 486 O LEU A 81 0.521 -20.784 -0.923 1.00 25.44 O -ATOM 487 CB LEU A 81 2.673 -19.326 1.060 1.00 25.54 C -ATOM 488 CG LEU A 81 2.779 -18.268 2.155 1.00 27.59 C -ATOM 489 CD1 LEU A 81 3.532 -18.815 3.356 1.00 26.99 C -ATOM 490 CD2 LEU A 81 3.445 -17.009 1.622 1.00 20.06 C -ATOM 491 N THR A 82 2.571 -20.561 -1.822 1.00 27.51 N -ATOM 492 CA THR A 82 2.464 -21.755 -2.650 1.00 23.59 C -ATOM 493 C THR A 82 3.760 -22.554 -2.598 1.00 25.35 C -ATOM 494 O THR A 82 4.837 -22.028 -2.877 1.00 30.37 O -ATOM 495 CB THR A 82 2.144 -21.408 -4.115 1.00 25.62 C -ATOM 496 OG1 THR A 82 1.000 -20.548 -4.167 1.00 28.70 O -ATOM 497 CG2 THR A 82 1.859 -22.673 -4.911 1.00 26.95 C -ATOM 498 N SER A 83 3.650 -23.827 -2.235 1.00 24.34 N -ATOM 499 CA SER A 83 4.819 -24.688 -2.112 1.00 26.51 C -ATOM 500 C SER A 83 5.492 -24.908 -3.462 1.00 28.17 C -ATOM 501 O SER A 83 4.825 -25.083 -4.481 1.00 27.61 O -ATOM 502 CB SER A 83 4.429 -26.035 -1.508 1.00 28.49 C -ATOM 503 OG SER A 83 3.693 -26.810 -2.435 1.00 30.93 O -ATOM 504 N THR A 84 6.820 -24.901 -3.459 1.00 29.68 N -ATOM 505 CA THR A 84 7.588 -25.169 -4.665 1.00 30.06 C -ATOM 506 C THR A 84 8.562 -26.313 -4.414 1.00 34.90 C -ATOM 507 O THR A 84 9.025 -26.513 -3.291 1.00 30.82 O -ATOM 508 CB THR A 84 8.361 -23.920 -5.132 1.00 37.39 C -ATOM 509 OG1 THR A 84 9.066 -24.215 -6.344 1.00 38.75 O -ATOM 510 CG2 THR A 84 9.353 -23.474 -4.067 1.00 31.46 C -ATOM 511 N ALA A 85 8.865 -27.068 -5.464 1.00 32.25 N -ATOM 512 CA ALA A 85 9.774 -28.201 -5.348 1.00 38.51 C -ATOM 513 C ALA A 85 11.203 -27.821 -5.728 1.00 37.91 C -ATOM 514 O ALA A 85 11.457 -27.343 -6.833 1.00 37.65 O -ATOM 515 CB ALA A 85 9.284 -29.366 -6.202 1.00 35.23 C -ATOM 516 N PHE A 86 12.129 -28.025 -4.797 1.00 32.80 N -ATOM 517 CA PHE A 86 13.548 -27.808 -5.054 1.00 33.29 C -ATOM 518 C PHE A 86 14.334 -29.106 -4.927 1.00 39.41 C -ATOM 519 O PHE A 86 14.143 -29.865 -3.979 1.00 41.34 O -ATOM 520 CB PHE A 86 14.136 -26.795 -4.066 1.00 32.09 C -ATOM 521 CG PHE A 86 14.001 -25.363 -4.498 1.00 36.38 C -ATOM 522 CD1 PHE A 86 14.652 -24.898 -5.630 1.00 35.54 C -ATOM 523 CD2 PHE A 86 13.247 -24.474 -3.753 1.00 31.79 C -ATOM 524 CE1 PHE A 86 14.536 -23.576 -6.019 1.00 32.09 C -ATOM 525 CE2 PHE A 86 13.128 -23.151 -4.136 1.00 28.84 C -ATOM 526 CZ PHE A 86 13.772 -22.702 -5.271 1.00 28.32 C -ATOM 527 N SER A 87 15.217 -29.361 -5.886 1.00 33.35 N -ATOM 528 CA SER A 87 16.252 -30.365 -5.696 1.00 35.67 C -ATOM 529 C SER A 87 17.390 -29.634 -5.002 1.00 39.21 C -ATOM 530 O SER A 87 17.502 -28.414 -5.118 1.00 35.97 O -ATOM 531 CB SER A 87 16.723 -30.936 -7.033 1.00 31.96 C -ATOM 532 OG SER A 87 17.579 -30.027 -7.702 1.00 37.61 O -ATOM 533 N LYS A 88 18.232 -30.359 -4.278 1.00 38.26 N -ATOM 534 CA LYS A 88 19.286 -29.707 -3.508 1.00 37.01 C -ATOM 535 C LYS A 88 20.189 -28.857 -4.395 1.00 40.44 C -ATOM 536 O LYS A 88 20.756 -27.859 -3.948 1.00 44.61 O -ATOM 537 CB LYS A 88 20.110 -30.728 -2.723 1.00 32.96 C -ATOM 538 CG LYS A 88 21.054 -30.096 -1.715 1.00 38.71 C -ATOM 539 CD LYS A 88 21.655 -31.138 -0.793 1.00 31.99 C -ATOM 540 CE LYS A 88 22.497 -30.489 0.292 1.00 30.07 C -ATOM 541 NZ LYS A 88 23.083 -31.508 1.203 1.00 38.67 N -ATOM 542 N LYS A 89 20.313 -29.255 -5.656 1.00 43.38 N -ATOM 543 CA LYS A 89 21.130 -28.517 -6.609 1.00 44.89 C -ATOM 544 C LYS A 89 20.422 -27.254 -7.078 1.00 38.72 C -ATOM 545 O LYS A 89 21.020 -26.180 -7.135 1.00 36.04 O -ATOM 546 CB LYS A 89 21.480 -29.397 -7.807 1.00 48.33 C -ATOM 547 CG LYS A 89 22.456 -28.757 -8.773 1.00 54.54 C -ATOM 548 CD LYS A 89 23.101 -29.800 -9.664 1.00 64.00 C -ATOM 549 CE LYS A 89 24.205 -29.186 -10.505 1.00 62.89 C -ATOM 550 NZ LYS A 89 24.979 -30.220 -11.245 1.00 56.98 N -ATOM 551 N GLU A 90 19.143 -27.386 -7.413 1.00 39.52 N -ATOM 552 CA GLU A 90 18.357 -26.240 -7.854 1.00 35.36 C -ATOM 553 C GLU A 90 18.285 -25.172 -6.769 1.00 39.03 C -ATOM 554 O GLU A 90 18.330 -23.978 -7.060 1.00 41.24 O -ATOM 555 CB GLU A 90 16.946 -26.669 -8.264 1.00 35.41 C -ATOM 556 CG GLU A 90 16.911 -27.634 -9.438 1.00 39.21 C -ATOM 557 CD GLU A 90 15.498 -27.951 -9.891 1.00 40.19 C -ATOM 558 OE1 GLU A 90 14.609 -28.103 -9.025 1.00 39.87 O -ATOM 559 OE2 GLU A 90 15.276 -28.044 -11.117 1.00 46.12 O -ATOM 560 N TYR A 91 18.176 -25.607 -5.517 1.00 39.48 N -ATOM 561 CA TYR A 91 18.093 -24.677 -4.397 1.00 35.31 C -ATOM 562 C TYR A 91 19.409 -23.939 -4.186 1.00 41.06 C -ATOM 563 O TYR A 91 19.421 -22.742 -3.900 1.00 38.01 O -ATOM 564 CB TYR A 91 17.687 -25.399 -3.110 1.00 32.95 C -ATOM 565 CG TYR A 91 17.814 -24.532 -1.878 1.00 38.12 C -ATOM 566 CD1 TYR A 91 16.927 -23.489 -1.645 1.00 38.35 C -ATOM 567 CD2 TYR A 91 18.826 -24.749 -0.952 1.00 32.29 C -ATOM 568 CE1 TYR A 91 17.041 -22.690 -0.524 1.00 30.34 C -ATOM 569 CE2 TYR A 91 18.947 -23.954 0.175 1.00 30.22 C -ATOM 570 CZ TYR A 91 18.051 -22.927 0.381 1.00 27.61 C -ATOM 571 OH TYR A 91 18.164 -22.132 1.497 1.00 31.23 O -ATOM 572 N SER A 92 20.514 -24.663 -4.319 1.00 34.04 N -ATOM 573 CA SER A 92 21.833 -24.068 -4.166 1.00 38.10 C -ATOM 574 C SER A 92 22.025 -22.953 -5.188 1.00 36.45 C -ATOM 575 O SER A 92 22.550 -21.885 -4.868 1.00 34.60 O -ATOM 576 CB SER A 92 22.922 -25.134 -4.303 1.00 36.63 C -ATOM 577 OG SER A 92 22.847 -26.070 -3.239 1.00 34.77 O -ATOM 578 N ALA A 93 21.580 -23.202 -6.415 1.00 38.86 N -ATOM 579 CA ALA A 93 21.623 -22.187 -7.460 1.00 35.70 C -ATOM 580 C ALA A 93 20.797 -20.971 -7.054 1.00 37.86 C -ATOM 581 O ALA A 93 21.256 -19.833 -7.159 1.00 36.99 O -ATOM 582 CB ALA A 93 21.114 -22.760 -8.777 1.00 31.03 C -ATOM 583 N TYR A 94 19.579 -21.222 -6.579 1.00 39.28 N -ATOM 584 CA TYR A 94 18.686 -20.155 -6.140 1.00 37.84 C -ATOM 585 C TYR A 94 19.275 -19.330 -4.999 1.00 32.45 C -ATOM 586 O TYR A 94 19.424 -18.114 -5.114 1.00 34.09 O -ATOM 587 CB TYR A 94 17.328 -20.722 -5.713 1.00 31.63 C -ATOM 588 CG TYR A 94 16.574 -19.799 -4.785 1.00 36.97 C -ATOM 589 CD1 TYR A 94 15.845 -18.727 -5.283 1.00 36.80 C -ATOM 590 CD2 TYR A 94 16.605 -19.988 -3.409 1.00 31.41 C -ATOM 591 CE1 TYR A 94 15.164 -17.875 -4.437 1.00 33.61 C -ATOM 592 CE2 TYR A 94 15.926 -19.139 -2.556 1.00 27.20 C -ATOM 593 CZ TYR A 94 15.208 -18.085 -3.076 1.00 32.02 C -ATOM 594 OH TYR A 94 14.529 -17.236 -2.231 1.00 34.81 O -ATOM 595 N ILE A 95 19.604 -19.999 -3.897 1.00 34.64 N -ATOM 596 CA ILE A 95 20.014 -19.310 -2.677 1.00 31.39 C -ATOM 597 C ILE A 95 21.242 -18.427 -2.883 1.00 29.58 C -ATOM 598 O ILE A 95 21.361 -17.368 -2.268 1.00 30.43 O -ATOM 599 CB ILE A 95 20.271 -20.294 -1.518 1.00 30.01 C -ATOM 600 CG1 ILE A 95 20.389 -19.537 -0.194 1.00 30.16 C -ATOM 601 CG2 ILE A 95 21.517 -21.129 -1.784 1.00 29.74 C -ATOM 602 CD1 ILE A 95 19.177 -18.686 0.127 1.00 31.46 C -ATOM 603 N LYS A 96 22.152 -18.860 -3.748 1.00 32.08 N -ATOM 604 CA LYS A 96 23.342 -18.069 -4.035 1.00 35.91 C -ATOM 605 C LYS A 96 22.959 -16.748 -4.687 1.00 36.19 C -ATOM 606 O LYS A 96 23.374 -15.681 -4.236 1.00 35.45 O -ATOM 607 CB LYS A 96 24.315 -18.837 -4.930 1.00 40.73 C -ATOM 608 CG LYS A 96 25.580 -18.056 -5.258 1.00 39.98 C -ATOM 609 CD LYS A 96 26.643 -18.946 -5.882 1.00 54.32 C -ATOM 610 CE LYS A 96 27.933 -18.171 -6.124 1.00 66.72 C -ATOM 611 NZ LYS A 96 29.040 -19.051 -6.601 1.00 51.29 N -ATOM 612 N ASN A 97 22.162 -16.825 -5.749 1.00 32.31 N -ATOM 613 CA ASN A 97 21.696 -15.630 -6.442 1.00 34.60 C -ATOM 614 C ASN A 97 20.855 -14.730 -5.547 1.00 34.32 C -ATOM 615 O ASN A 97 20.935 -13.506 -5.633 1.00 32.09 O -ATOM 616 CB ASN A 97 20.902 -16.002 -7.696 1.00 35.98 C -ATOM 617 CG ASN A 97 21.789 -16.472 -8.830 1.00 39.72 C -ATOM 618 OD1 ASN A 97 22.461 -15.670 -9.479 1.00 41.28 O -ATOM 619 ND2 ASN A 97 21.788 -17.776 -9.083 1.00 41.50 N -ATOM 620 N TYR A 98 20.043 -15.342 -4.691 1.00 33.53 N -ATOM 621 CA TYR A 98 19.159 -14.587 -3.810 1.00 28.31 C -ATOM 622 C TYR A 98 19.945 -13.821 -2.749 1.00 28.68 C -ATOM 623 O TYR A 98 19.629 -12.672 -2.443 1.00 30.27 O -ATOM 624 CB TYR A 98 18.126 -15.507 -3.152 1.00 28.07 C -ATOM 625 CG TYR A 98 17.197 -14.791 -2.198 1.00 28.38 C -ATOM 626 CD1 TYR A 98 16.261 -13.877 -2.665 1.00 33.89 C -ATOM 627 CD2 TYR A 98 17.249 -15.034 -0.832 1.00 25.89 C -ATOM 628 CE1 TYR A 98 15.409 -13.220 -1.796 1.00 28.03 C -ATOM 629 CE2 TYR A 98 16.401 -14.383 0.042 1.00 29.25 C -ATOM 630 CZ TYR A 98 15.484 -13.478 -0.443 1.00 30.58 C -ATOM 631 OH TYR A 98 14.641 -12.832 0.433 1.00 26.86 O -ATOM 632 N MET A 99 20.966 -14.464 -2.190 1.00 30.53 N -ATOM 633 CA MET A 99 21.805 -13.830 -1.179 1.00 29.29 C -ATOM 634 C MET A 99 22.503 -12.598 -1.740 1.00 32.28 C -ATOM 635 O MET A 99 22.616 -11.575 -1.064 1.00 36.01 O -ATOM 636 CB MET A 99 22.842 -14.817 -0.641 1.00 36.72 C -ATOM 637 CG MET A 99 22.265 -15.967 0.176 1.00 37.63 C -ATOM 638 SD MET A 99 21.508 -15.467 1.735 1.00 45.54 S -ATOM 639 CE MET A 99 19.790 -15.266 1.248 1.00 29.60 C -ATOM 640 N GLN A 100 22.979 -12.708 -2.976 1.00 31.74 N -ATOM 641 CA GLN A 100 23.621 -11.590 -3.653 1.00 31.23 C -ATOM 642 C GLN A 100 22.590 -10.519 -3.989 1.00 32.16 C -ATOM 643 O GLN A 100 22.876 -9.323 -3.924 1.00 32.20 O -ATOM 644 CB GLN A 100 24.331 -12.064 -4.923 1.00 34.14 C -ATOM 645 CG GLN A 100 25.594 -12.880 -4.670 1.00 40.64 C -ATOM 646 CD GLN A 100 26.163 -13.483 -5.944 1.00 51.58 C -ATOM 647 OE1 GLN A 100 25.582 -13.347 -7.021 1.00 53.84 O -ATOM 648 NE2 GLN A 100 27.302 -14.156 -5.824 1.00 57.04 N -ATOM 649 N LYS A 101 21.387 -10.959 -4.342 1.00 37.70 N -ATOM 650 CA LYS A 101 20.297 -10.048 -4.666 1.00 32.54 C -ATOM 651 C LYS A 101 19.897 -9.225 -3.446 1.00 32.30 C -ATOM 652 O LYS A 101 19.627 -8.028 -3.552 1.00 33.29 O -ATOM 653 CB LYS A 101 19.091 -10.831 -5.191 1.00 31.62 C -ATOM 654 CG LYS A 101 17.921 -9.963 -5.622 1.00 34.73 C -ATOM 655 CD LYS A 101 16.740 -10.808 -6.069 1.00 32.44 C -ATOM 656 CE LYS A 101 15.583 -9.942 -6.534 1.00 31.49 C -ATOM 657 NZ LYS A 101 15.920 -9.172 -7.762 1.00 40.67 N -ATOM 658 N VAL A 102 19.862 -9.878 -2.289 1.00 32.98 N -ATOM 659 CA VAL A 102 19.484 -9.227 -1.039 1.00 33.65 C -ATOM 660 C VAL A 102 20.608 -8.345 -0.511 1.00 33.53 C -ATOM 661 O VAL A 102 20.374 -7.214 -0.082 1.00 35.01 O -ATOM 662 CB VAL A 102 19.105 -10.260 0.040 1.00 33.02 C -ATOM 663 CG1 VAL A 102 18.928 -9.582 1.392 1.00 27.86 C -ATOM 664 CG2 VAL A 102 17.842 -11.003 -0.362 1.00 25.75 C -ATOM 665 N ALA A 103 21.828 -8.871 -0.542 1.00 34.01 N -ATOM 666 CA ALA A 103 23.003 -8.113 -0.131 1.00 37.22 C -ATOM 667 C ALA A 103 23.106 -6.831 -0.944 1.00 37.86 C -ATOM 668 O ALA A 103 23.439 -5.771 -0.415 1.00 34.37 O -ATOM 669 CB ALA A 103 24.258 -8.949 -0.302 1.00 32.58 C -ATOM 670 N LYS A 104 22.814 -6.937 -2.235 1.00 34.23 N -ATOM 671 CA LYS A 104 22.834 -5.779 -3.118 1.00 29.76 C -ATOM 672 C LYS A 104 21.794 -4.769 -2.657 1.00 33.27 C -ATOM 673 O LYS A 104 22.074 -3.576 -2.560 1.00 37.62 O -ATOM 674 CB LYS A 104 22.564 -6.203 -4.563 1.00 35.03 C -ATOM 675 CG LYS A 104 22.939 -5.158 -5.604 1.00 44.54 C -ATOM 676 CD LYS A 104 22.910 -5.758 -7.003 1.00 60.46 C -ATOM 677 CE LYS A 104 23.429 -4.777 -8.048 1.00 77.72 C -ATOM 678 NZ LYS A 104 23.442 -5.380 -9.414 1.00 65.28 N -ATOM 679 N TYR A 105 20.592 -5.258 -2.368 1.00 32.69 N -ATOM 680 CA TYR A 105 19.524 -4.412 -1.848 1.00 30.53 C -ATOM 681 C TYR A 105 19.973 -3.661 -0.599 1.00 35.00 C -ATOM 682 O TYR A 105 19.684 -2.475 -0.439 1.00 34.91 O -ATOM 683 CB TYR A 105 18.278 -5.248 -1.541 1.00 27.45 C -ATOM 684 CG TYR A 105 17.254 -4.530 -0.690 1.00 29.24 C -ATOM 685 CD1 TYR A 105 16.367 -3.620 -1.253 1.00 34.10 C -ATOM 686 CD2 TYR A 105 17.173 -4.763 0.678 1.00 30.75 C -ATOM 687 CE1 TYR A 105 15.433 -2.960 -0.478 1.00 30.05 C -ATOM 688 CE2 TYR A 105 16.240 -4.108 1.461 1.00 33.17 C -ATOM 689 CZ TYR A 105 15.373 -3.207 0.878 1.00 37.08 C -ATOM 690 OH TYR A 105 14.443 -2.554 1.655 1.00 38.45 O -ATOM 691 N LEU A 106 20.683 -4.361 0.281 1.00 35.30 N -ATOM 692 CA LEU A 106 21.149 -3.775 1.533 1.00 34.46 C -ATOM 693 C LEU A 106 22.169 -2.668 1.293 1.00 35.49 C -ATOM 694 O LEU A 106 22.105 -1.613 1.918 1.00 38.70 O -ATOM 695 CB LEU A 106 21.732 -4.855 2.447 1.00 33.35 C -ATOM 696 CG LEU A 106 20.702 -5.852 2.986 1.00 31.19 C -ATOM 697 CD1 LEU A 106 21.372 -6.916 3.840 1.00 33.17 C -ATOM 698 CD2 LEU A 106 19.619 -5.130 3.775 1.00 33.25 C -ATOM 699 N GLU A 107 23.105 -2.909 0.383 1.00 32.39 N -ATOM 700 CA GLU A 107 24.106 -1.905 0.039 1.00 34.38 C -ATOM 701 C GLU A 107 23.460 -0.561 -0.286 1.00 37.73 C -ATOM 702 O GLU A 107 23.966 0.492 0.106 1.00 39.99 O -ATOM 703 CB GLU A 107 24.952 -2.376 -1.147 1.00 40.06 C -ATOM 704 CG GLU A 107 25.818 -3.585 -0.849 1.00 43.81 C -ATOM 705 CD GLU A 107 26.402 -4.209 -2.103 1.00 55.13 C -ATOM 706 OE1 GLU A 107 26.252 -3.616 -3.194 1.00 53.43 O -ATOM 707 OE2 GLU A 107 27.005 -5.298 -1.996 1.00 46.82 O -ATOM 708 N GLU A 108 22.335 -0.607 -0.994 1.00 39.95 N -ATOM 709 CA GLU A 108 21.658 0.603 -1.448 1.00 39.46 C -ATOM 710 C GLU A 108 20.698 1.167 -0.403 1.00 40.18 C -ATOM 711 O GLU A 108 20.647 2.379 -0.187 1.00 45.07 O -ATOM 712 CB GLU A 108 20.882 0.326 -2.738 1.00 39.89 C -ATOM 713 CG GLU A 108 21.326 -0.915 -3.495 1.00 47.67 C -ATOM 714 CD GLU A 108 22.575 -0.699 -4.331 1.00 66.77 C -ATOM 715 OE1 GLU A 108 23.240 0.349 -4.174 1.00 66.53 O -ATOM 716 OE2 GLU A 108 22.887 -1.586 -5.153 1.00 56.43 O -ATOM 717 N LYS A 109 19.936 0.287 0.240 1.00 37.89 N -ATOM 718 CA LYS A 109 18.835 0.726 1.095 1.00 40.64 C -ATOM 719 C LYS A 109 19.116 0.658 2.597 1.00 38.12 C -ATOM 720 O LYS A 109 18.632 1.496 3.358 1.00 38.45 O -ATOM 721 CB LYS A 109 17.554 -0.042 0.756 1.00 40.08 C -ATOM 722 CG LYS A 109 17.084 0.156 -0.678 1.00 43.46 C -ATOM 723 CD LYS A 109 17.011 1.636 -1.032 1.00 55.27 C -ATOM 724 CE LYS A 109 16.635 1.849 -2.492 1.00 56.46 C -ATOM 725 NZ LYS A 109 16.695 3.288 -2.884 1.00 57.89 N -ATOM 726 N LYS A 110 19.884 -0.340 3.022 1.00 40.00 N -ATOM 727 CA LYS A 110 20.231 -0.486 4.435 1.00 43.58 C -ATOM 728 C LYS A 110 21.672 -0.956 4.610 1.00 39.30 C -ATOM 729 O LYS A 110 21.916 -2.088 5.023 1.00 40.78 O -ATOM 730 CB LYS A 110 19.272 -1.455 5.128 1.00 37.66 C -ATOM 731 CG LYS A 110 17.824 -1.007 5.089 1.00 36.33 C -ATOM 732 CD LYS A 110 16.880 -2.132 5.464 1.00 45.12 C -ATOM 733 CE LYS A 110 15.427 -1.698 5.335 1.00 52.57 C -ATOM 734 NZ LYS A 110 14.487 -2.847 5.497 1.00 42.67 N -ATOM 735 N PRO A 111 22.631 -0.072 4.308 1.00 40.16 N -ATOM 736 CA PRO A 111 24.066 -0.384 4.279 1.00 42.83 C -ATOM 737 C PRO A 111 24.636 -0.827 5.627 1.00 36.67 C -ATOM 738 O PRO A 111 25.711 -1.427 5.667 1.00 36.47 O -ATOM 739 CB PRO A 111 24.699 0.945 3.852 1.00 43.52 C -ATOM 740 CG PRO A 111 23.700 1.986 4.249 1.00 43.53 C -ATOM 741 CD PRO A 111 22.369 1.348 4.018 1.00 35.29 C -ATOM 742 N ASP A 112 23.931 -0.529 6.713 1.00 39.75 N -ATOM 743 CA ASP A 112 24.411 -0.879 8.044 1.00 39.99 C -ATOM 744 C ASP A 112 24.124 -2.343 8.362 1.00 40.41 C -ATOM 745 O ASP A 112 24.466 -2.838 9.437 1.00 40.41 O -ATOM 746 CB ASP A 112 23.790 0.040 9.099 1.00 40.91 C -ATOM 747 CG ASP A 112 22.271 0.025 9.067 1.00 54.97 C -ATOM 748 OD1 ASP A 112 21.681 0.724 8.210 1.00 50.98 O -ATOM 749 OD2 ASP A 112 21.666 -0.682 9.904 1.00 44.40 O -ATOM 750 N ARG A 113 23.501 -3.033 7.413 1.00 35.72 N -ATOM 751 CA ARG A 113 23.147 -4.435 7.588 1.00 36.67 C -ATOM 752 C ARG A 113 23.984 -5.341 6.691 1.00 38.67 C -ATOM 753 O ARG A 113 23.964 -6.562 6.843 1.00 39.35 O -ATOM 754 CB ARG A 113 21.661 -4.647 7.286 1.00 35.25 C -ATOM 755 CG ARG A 113 20.711 -4.075 8.329 1.00 32.11 C -ATOM 756 CD ARG A 113 20.776 -4.876 9.612 1.00 31.34 C -ATOM 757 NE ARG A 113 20.480 -6.283 9.369 1.00 28.02 N -ATOM 758 CZ ARG A 113 20.460 -7.216 10.313 1.00 28.64 C -ATOM 759 NH1 ARG A 113 20.720 -6.892 11.572 1.00 32.11 N -ATOM 760 NH2 ARG A 113 20.179 -8.472 9.997 1.00 22.92 N -ATOM 761 N VAL A 114 24.721 -4.738 5.763 1.00 35.44 N -ATOM 762 CA VAL A 114 25.445 -5.487 4.739 1.00 37.81 C -ATOM 763 C VAL A 114 26.383 -6.564 5.290 1.00 34.45 C -ATOM 764 O VAL A 114 26.320 -7.720 4.871 1.00 36.46 O -ATOM 765 CB VAL A 114 26.254 -4.548 3.817 1.00 40.65 C -ATOM 766 CG1 VAL A 114 26.902 -5.348 2.693 1.00 35.63 C -ATOM 767 CG2 VAL A 114 25.358 -3.459 3.255 1.00 34.63 C -ATOM 768 N GLU A 115 27.250 -6.184 6.223 1.00 35.59 N -ATOM 769 CA GLU A 115 28.233 -7.119 6.769 1.00 38.34 C -ATOM 770 C GLU A 115 27.630 -8.119 7.755 1.00 34.15 C -ATOM 771 O GLU A 115 28.048 -9.275 7.808 1.00 33.68 O -ATOM 772 CB GLU A 115 29.402 -6.366 7.411 1.00 31.02 C -ATOM 773 CG GLU A 115 30.359 -5.754 6.400 1.00 45.41 C -ATOM 774 CD GLU A 115 30.990 -6.795 5.492 1.00 50.27 C -ATOM 775 OE1 GLU A 115 31.590 -7.758 6.016 1.00 50.85 O -ATOM 776 OE2 GLU A 115 30.877 -6.654 4.256 1.00 49.51 O -ATOM 777 N ILE A 116 26.649 -7.674 8.534 1.00 31.12 N -ATOM 778 CA ILE A 116 25.977 -8.561 9.477 1.00 28.27 C -ATOM 779 C ILE A 116 25.233 -9.657 8.717 1.00 31.85 C -ATOM 780 O ILE A 116 25.299 -10.832 9.075 1.00 28.95 O -ATOM 781 CB ILE A 116 24.988 -7.802 10.385 1.00 28.11 C -ATOM 782 CG1 ILE A 116 25.674 -6.610 11.055 1.00 29.83 C -ATOM 783 CG2 ILE A 116 24.408 -8.738 11.435 1.00 33.59 C -ATOM 784 CD1 ILE A 116 24.770 -5.840 12.007 1.00 30.13 C -ATOM 785 N PHE A 117 24.529 -9.256 7.663 1.00 30.83 N -ATOM 786 CA PHE A 117 23.800 -10.188 6.811 1.00 29.13 C -ATOM 787 C PHE A 117 24.732 -11.243 6.223 1.00 27.24 C -ATOM 788 O PHE A 117 24.499 -12.443 6.364 1.00 32.05 O -ATOM 789 CB PHE A 117 23.084 -9.433 5.689 1.00 29.55 C -ATOM 790 CG PHE A 117 22.456 -10.329 4.659 1.00 26.58 C -ATOM 791 CD1 PHE A 117 21.309 -11.048 4.956 1.00 22.13 C -ATOM 792 CD2 PHE A 117 23.006 -10.446 3.392 1.00 21.44 C -ATOM 793 CE1 PHE A 117 20.728 -11.872 4.012 1.00 23.45 C -ATOM 794 CE2 PHE A 117 22.426 -11.269 2.443 1.00 26.00 C -ATOM 795 CZ PHE A 117 21.286 -11.982 2.755 1.00 33.19 C -ATOM 796 N LYS A 118 25.787 -10.783 5.561 1.00 28.38 N -ATOM 797 CA LYS A 118 26.769 -11.673 4.953 1.00 34.66 C -ATOM 798 C LYS A 118 27.365 -12.633 5.975 1.00 33.45 C -ATOM 799 O LYS A 118 27.459 -13.838 5.732 1.00 36.42 O -ATOM 800 CB LYS A 118 27.882 -10.860 4.288 1.00 37.34 C -ATOM 801 CG LYS A 118 27.463 -10.167 3.000 1.00 35.71 C -ATOM 802 CD LYS A 118 28.537 -9.198 2.531 1.00 41.72 C -ATOM 803 CE LYS A 118 28.186 -8.574 1.189 1.00 43.76 C -ATOM 804 NZ LYS A 118 28.279 -9.559 0.076 1.00 50.80 N -ATOM 805 N THR A 119 27.763 -12.091 7.121 1.00 30.16 N -ATOM 806 CA THR A 119 28.403 -12.887 8.160 1.00 29.65 C -ATOM 807 C THR A 119 27.454 -13.917 8.770 1.00 27.68 C -ATOM 808 O THR A 119 27.743 -15.113 8.769 1.00 30.32 O -ATOM 809 CB THR A 119 28.966 -11.994 9.286 1.00 32.23 C -ATOM 810 OG1 THR A 119 29.932 -11.083 8.744 1.00 35.49 O -ATOM 811 CG2 THR A 119 29.626 -12.845 10.358 1.00 34.91 C -ATOM 812 N LYS A 120 26.319 -13.447 9.280 1.00 26.21 N -ATOM 813 CA LYS A 120 25.406 -14.290 10.051 1.00 26.02 C -ATOM 814 C LYS A 120 24.581 -15.272 9.218 1.00 24.24 C -ATOM 815 O LYS A 120 23.947 -16.171 9.766 1.00 20.47 O -ATOM 816 CB LYS A 120 24.476 -13.420 10.899 1.00 23.42 C -ATOM 817 CG LYS A 120 25.210 -12.474 11.836 1.00 28.07 C -ATOM 818 CD LYS A 120 26.204 -13.233 12.698 1.00 23.12 C -ATOM 819 CE LYS A 120 27.016 -12.293 13.575 1.00 26.15 C -ATOM 820 NZ LYS A 120 28.005 -13.050 14.389 1.00 28.74 N -ATOM 821 N ALA A 121 24.590 -15.102 7.900 1.00 24.33 N -ATOM 822 CA ALA A 121 23.799 -15.957 7.022 1.00 23.84 C -ATOM 823 C ALA A 121 24.523 -17.261 6.711 1.00 25.51 C -ATOM 824 O ALA A 121 23.902 -18.252 6.331 1.00 27.73 O -ATOM 825 CB ALA A 121 23.460 -15.228 5.739 1.00 31.40 C -ATOM 826 N GLN A 122 25.841 -17.249 6.867 1.00 28.29 N -ATOM 827 CA GLN A 122 26.657 -18.409 6.533 1.00 30.34 C -ATOM 828 C GLN A 122 26.219 -19.673 7.275 1.00 31.09 C -ATOM 829 O GLN A 122 25.864 -20.668 6.644 1.00 28.36 O -ATOM 830 CB GLN A 122 28.139 -18.115 6.782 1.00 40.40 C -ATOM 831 CG GLN A 122 28.690 -16.991 5.923 1.00 48.61 C -ATOM 832 CD GLN A 122 28.693 -17.338 4.447 1.00 61.51 C -ATOM 833 OE1 GLN A 122 28.880 -18.495 4.071 1.00 52.07 O -ATOM 834 NE2 GLN A 122 28.479 -16.337 3.603 1.00 54.97 N -ATOM 835 N PRO A 123 26.230 -19.638 8.618 1.00 28.78 N -ATOM 836 CA PRO A 123 25.867 -20.841 9.374 1.00 23.95 C -ATOM 837 C PRO A 123 24.422 -21.249 9.110 1.00 29.17 C -ATOM 838 O PRO A 123 24.099 -22.435 9.109 1.00 29.61 O -ATOM 839 CB PRO A 123 26.039 -20.400 10.834 1.00 16.62 C -ATOM 840 CG PRO A 123 26.942 -19.196 10.771 1.00 26.11 C -ATOM 841 CD PRO A 123 26.554 -18.510 9.508 1.00 23.29 C -ATOM 842 N PHE A 124 23.570 -20.258 8.873 1.00 22.07 N -ATOM 843 CA PHE A 124 22.146 -20.485 8.656 1.00 22.57 C -ATOM 844 C PHE A 124 21.868 -21.266 7.371 1.00 24.83 C -ATOM 845 O PHE A 124 21.140 -22.259 7.382 1.00 27.05 O -ATOM 846 CB PHE A 124 21.400 -19.149 8.636 1.00 23.93 C -ATOM 847 CG PHE A 124 19.926 -19.282 8.408 1.00 26.94 C -ATOM 848 CD1 PHE A 124 19.095 -19.736 9.417 1.00 22.29 C -ATOM 849 CD2 PHE A 124 19.368 -18.947 7.187 1.00 25.92 C -ATOM 850 CE1 PHE A 124 17.736 -19.860 9.212 1.00 20.70 C -ATOM 851 CE2 PHE A 124 18.010 -19.067 6.974 1.00 24.38 C -ATOM 852 CZ PHE A 124 17.192 -19.524 7.987 1.00 22.21 C -ATOM 853 N ILE A 125 22.452 -20.813 6.266 1.00 23.50 N -ATOM 854 CA ILE A 125 22.249 -21.461 4.974 1.00 25.00 C -ATOM 855 C ILE A 125 22.853 -22.860 4.952 1.00 24.75 C -ATOM 856 O ILE A 125 22.296 -23.780 4.352 1.00 28.54 O -ATOM 857 CB ILE A 125 22.825 -20.620 3.821 1.00 29.96 C -ATOM 858 CG1 ILE A 125 22.039 -19.318 3.685 1.00 24.42 C -ATOM 859 CG2 ILE A 125 22.773 -21.394 2.514 1.00 24.40 C -ATOM 860 CD1 ILE A 125 20.555 -19.531 3.474 1.00 22.83 C -ATOM 861 N LYS A 126 23.994 -23.014 5.613 1.00 27.21 N -ATOM 862 CA LYS A 126 24.646 -24.313 5.718 1.00 30.69 C -ATOM 863 C LYS A 126 23.787 -25.308 6.493 1.00 31.92 C -ATOM 864 O LYS A 126 23.729 -26.488 6.150 1.00 30.31 O -ATOM 865 CB LYS A 126 26.013 -24.169 6.384 1.00 29.14 C -ATOM 866 CG LYS A 126 27.034 -23.437 5.532 1.00 35.77 C -ATOM 867 CD LYS A 126 28.356 -23.303 6.264 1.00 39.12 C -ATOM 868 CE LYS A 126 29.356 -22.475 5.470 1.00 38.88 C -ATOM 869 NZ LYS A 126 30.607 -22.222 6.242 1.00 31.70 N -ATOM 870 N HIS A 127 23.124 -24.824 7.538 1.00 25.65 N -ATOM 871 CA HIS A 127 22.241 -25.665 8.335 1.00 26.68 C -ATOM 872 C HIS A 127 21.061 -26.148 7.497 1.00 25.11 C -ATOM 873 O HIS A 127 20.593 -27.276 7.660 1.00 27.49 O -ATOM 874 CB HIS A 127 21.738 -24.909 9.566 1.00 30.41 C -ATOM 875 CG HIS A 127 20.779 -25.696 10.406 1.00 28.18 C -ATOM 876 ND1 HIS A 127 21.190 -26.650 11.308 1.00 31.73 N -ATOM 877 CD2 HIS A 127 19.425 -25.672 10.470 1.00 25.51 C -ATOM 878 CE1 HIS A 127 20.129 -27.181 11.900 1.00 26.79 C -ATOM 879 NE2 HIS A 127 19.051 -26.604 11.407 1.00 26.36 N -ATOM 880 N ILE A 128 20.584 -25.289 6.601 1.00 24.94 N -ATOM 881 CA ILE A 128 19.481 -25.640 5.716 1.00 29.88 C -ATOM 882 C ILE A 128 19.909 -26.688 4.691 1.00 30.11 C -ATOM 883 O ILE A 128 19.241 -27.706 4.521 1.00 34.68 O -ATOM 884 CB ILE A 128 18.927 -24.400 4.983 1.00 31.57 C -ATOM 885 CG1 ILE A 128 18.301 -23.426 5.984 1.00 24.81 C -ATOM 886 CG2 ILE A 128 17.911 -24.809 3.925 1.00 26.01 C -ATOM 887 CD1 ILE A 128 17.724 -22.188 5.343 1.00 28.15 C -ATOM 888 N LEU A 129 21.023 -26.429 4.011 1.00 28.10 N -ATOM 889 CA LEU A 129 21.583 -27.388 3.066 1.00 28.35 C -ATOM 890 C LEU A 129 21.862 -28.721 3.755 1.00 29.88 C -ATOM 891 O LEU A 129 21.463 -29.778 3.265 1.00 30.38 O -ATOM 892 CB LEU A 129 22.866 -26.838 2.441 1.00 27.66 C -ATOM 893 CG LEU A 129 22.746 -25.637 1.502 1.00 23.41 C -ATOM 894 CD1 LEU A 129 24.117 -25.061 1.177 1.00 22.30 C -ATOM 895 CD2 LEU A 129 22.015 -26.028 0.228 1.00 23.94 C -ATOM 896 N THR A 130 22.543 -28.668 4.896 1.00 34.28 N -ATOM 897 CA THR A 130 22.894 -29.880 5.634 1.00 29.53 C -ATOM 898 C THR A 130 21.658 -30.708 5.988 1.00 28.37 C -ATOM 899 O THR A 130 21.706 -31.939 5.987 1.00 25.95 O -ATOM 900 CB THR A 130 23.702 -29.564 6.913 1.00 31.34 C -ATOM 901 OG1 THR A 130 24.986 -29.038 6.553 1.00 37.54 O -ATOM 902 CG2 THR A 130 23.896 -30.822 7.747 1.00 35.25 C -ATOM 903 N ASN A 131 20.552 -30.027 6.277 1.00 31.79 N -ATOM 904 CA ASN A 131 19.293 -30.697 6.591 1.00 25.21 C -ATOM 905 C ASN A 131 18.261 -30.506 5.486 1.00 29.34 C -ATOM 906 O ASN A 131 17.070 -30.370 5.758 1.00 29.22 O -ATOM 907 CB ASN A 131 18.720 -30.169 7.907 1.00 22.36 C -ATOM 908 CG ASN A 131 19.655 -30.380 9.080 1.00 26.32 C -ATOM 909 OD1 ASN A 131 19.745 -31.479 9.626 1.00 28.67 O -ATOM 910 ND2 ASN A 131 20.348 -29.321 9.484 1.00 28.86 N -ATOM 911 N PHE A 132 18.723 -30.508 4.239 1.00 27.31 N -ATOM 912 CA PHE A 132 17.887 -30.144 3.095 1.00 29.51 C -ATOM 913 C PHE A 132 16.559 -30.899 2.989 1.00 31.66 C -ATOM 914 O PHE A 132 15.536 -30.315 2.638 1.00 30.26 O -ATOM 915 CB PHE A 132 18.674 -30.280 1.787 1.00 26.97 C -ATOM 916 CG PHE A 132 17.909 -29.834 0.573 1.00 38.29 C -ATOM 917 CD1 PHE A 132 17.781 -28.487 0.277 1.00 33.96 C -ATOM 918 CD2 PHE A 132 17.318 -30.759 -0.270 1.00 31.40 C -ATOM 919 CE1 PHE A 132 17.077 -28.071 -0.835 1.00 35.05 C -ATOM 920 CE2 PHE A 132 16.613 -30.350 -1.384 1.00 29.85 C -ATOM 921 CZ PHE A 132 16.492 -29.004 -1.668 1.00 34.24 C -ATOM 922 N ASP A 133 16.578 -32.193 3.288 1.00 30.72 N -ATOM 923 CA ASP A 133 15.392 -33.031 3.115 1.00 31.20 C -ATOM 924 C ASP A 133 14.271 -32.726 4.113 1.00 30.72 C -ATOM 925 O ASP A 133 13.121 -33.111 3.899 1.00 29.02 O -ATOM 926 CB ASP A 133 15.763 -34.518 3.173 1.00 24.53 C -ATOM 927 CG ASP A 133 16.592 -34.963 1.978 1.00 41.64 C -ATOM 928 OD1 ASP A 133 16.574 -34.260 0.943 1.00 32.36 O -ATOM 929 OD2 ASP A 133 17.254 -36.020 2.071 1.00 42.49 O -ATOM 930 N ASP A 134 14.605 -32.036 5.201 1.00 31.36 N -ATOM 931 CA ASP A 134 13.621 -31.722 6.234 1.00 28.90 C -ATOM 932 C ASP A 134 12.697 -30.576 5.835 1.00 27.77 C -ATOM 933 O ASP A 134 11.685 -30.330 6.494 1.00 32.70 O -ATOM 934 CB ASP A 134 14.315 -31.353 7.547 1.00 27.66 C -ATOM 935 CG ASP A 134 15.116 -32.498 8.131 1.00 33.75 C -ATOM 936 OD1 ASP A 134 14.889 -33.657 7.725 1.00 36.81 O -ATOM 937 OD2 ASP A 134 15.968 -32.236 9.007 1.00 33.83 O -ATOM 938 N PHE A 135 13.049 -29.875 4.762 1.00 26.94 N -ATOM 939 CA PHE A 135 12.390 -28.616 4.433 1.00 29.32 C -ATOM 940 C PHE A 135 11.402 -28.687 3.272 1.00 29.09 C -ATOM 941 O PHE A 135 11.600 -29.425 2.307 1.00 26.79 O -ATOM 942 CB PHE A 135 13.436 -27.539 4.128 1.00 23.34 C -ATOM 943 CG PHE A 135 14.284 -27.159 5.308 1.00 27.25 C -ATOM 944 CD1 PHE A 135 13.805 -26.281 6.265 1.00 26.99 C -ATOM 945 CD2 PHE A 135 15.563 -27.670 5.454 1.00 28.40 C -ATOM 946 CE1 PHE A 135 14.582 -25.926 7.350 1.00 23.24 C -ATOM 947 CE2 PHE A 135 16.344 -27.319 6.537 1.00 31.46 C -ATOM 948 CZ PHE A 135 15.853 -26.446 7.486 1.00 28.60 C -ATOM 949 N GLU A 136 10.331 -27.908 3.392 1.00 33.42 N -ATOM 950 CA GLU A 136 9.470 -27.576 2.267 1.00 26.99 C -ATOM 951 C GLU A 136 9.709 -26.106 1.950 1.00 24.66 C -ATOM 952 O GLU A 136 10.124 -25.343 2.821 1.00 24.05 O -ATOM 953 CB GLU A 136 8.002 -27.806 2.615 1.00 27.11 C -ATOM 954 CG GLU A 136 7.608 -29.266 2.745 1.00 33.34 C -ATOM 955 CD GLU A 136 6.107 -29.447 2.814 1.00 45.73 C -ATOM 956 OE1 GLU A 136 5.579 -29.629 3.931 1.00 44.29 O -ATOM 957 OE2 GLU A 136 5.454 -29.400 1.750 1.00 50.16 O -ATOM 958 N PHE A 137 9.460 -25.703 0.709 1.00 31.05 N -ATOM 959 CA PHE A 137 9.737 -24.328 0.306 1.00 23.42 C -ATOM 960 C PHE A 137 8.512 -23.689 -0.329 1.00 26.57 C -ATOM 961 O PHE A 137 7.782 -24.340 -1.071 1.00 30.54 O -ATOM 962 CB PHE A 137 10.921 -24.282 -0.660 1.00 24.08 C -ATOM 963 CG PHE A 137 12.084 -25.130 -0.232 1.00 28.81 C -ATOM 964 CD1 PHE A 137 12.108 -26.486 -0.515 1.00 23.66 C -ATOM 965 CD2 PHE A 137 13.153 -24.575 0.454 1.00 27.19 C -ATOM 966 CE1 PHE A 137 13.173 -27.272 -0.123 1.00 23.80 C -ATOM 967 CE2 PHE A 137 14.222 -25.358 0.847 1.00 25.71 C -ATOM 968 CZ PHE A 137 14.232 -26.707 0.558 1.00 26.66 C -ATOM 969 N TYR A 138 8.294 -22.411 -0.034 1.00 27.38 N -ATOM 970 CA TYR A 138 7.118 -21.699 -0.516 1.00 25.04 C -ATOM 971 C TYR A 138 7.477 -20.392 -1.213 1.00 31.66 C -ATOM 972 O TYR A 138 8.432 -19.710 -0.842 1.00 32.41 O -ATOM 973 CB TYR A 138 6.158 -21.402 0.640 1.00 24.87 C -ATOM 974 CG TYR A 138 5.615 -22.626 1.346 1.00 28.59 C -ATOM 975 CD1 TYR A 138 6.349 -23.259 2.342 1.00 28.78 C -ATOM 976 CD2 TYR A 138 4.362 -23.137 1.027 1.00 27.94 C -ATOM 977 CE1 TYR A 138 5.854 -24.375 2.995 1.00 29.74 C -ATOM 978 CE2 TYR A 138 3.859 -24.252 1.672 1.00 29.40 C -ATOM 979 CZ TYR A 138 4.608 -24.868 2.656 1.00 40.74 C -ATOM 980 OH TYR A 138 4.108 -25.979 3.300 1.00 36.95 O -ATOM 981 N MET A 139 6.695 -20.049 -2.229 1.00 29.19 N -ATOM 982 CA MET A 139 6.800 -18.750 -2.874 1.00 27.10 C -ATOM 983 C MET A 139 5.680 -17.847 -2.378 1.00 31.64 C -ATOM 984 O MET A 139 4.678 -18.322 -1.845 1.00 28.83 O -ATOM 985 CB MET A 139 6.721 -18.889 -4.396 1.00 29.67 C -ATOM 986 CG MET A 139 8.003 -19.368 -5.054 1.00 36.95 C -ATOM 987 SD MET A 139 7.818 -19.519 -6.840 1.00 49.46 S -ATOM 988 CE MET A 139 6.497 -20.723 -6.934 1.00 30.45 C -ATOM 989 N GLY A 140 5.860 -16.542 -2.552 1.00 28.53 N -ATOM 990 CA GLY A 140 4.843 -15.571 -2.193 1.00 24.47 C -ATOM 991 C GLY A 140 3.699 -15.578 -3.187 1.00 28.93 C -ATOM 992 O GLY A 140 3.645 -16.429 -4.074 1.00 30.79 O -ATOM 993 N GLU A 141 2.782 -14.628 -3.045 1.00 28.86 N -ATOM 994 CA GLU A 141 1.624 -14.555 -3.927 1.00 28.00 C -ATOM 995 C GLU A 141 2.037 -14.229 -5.361 1.00 30.33 C -ATOM 996 O GLU A 141 1.316 -14.536 -6.310 1.00 31.27 O -ATOM 997 CB GLU A 141 0.623 -13.515 -3.419 1.00 27.45 C -ATOM 998 CG GLU A 141 -0.702 -13.524 -4.159 1.00 36.48 C -ATOM 999 CD GLU A 141 -1.607 -12.376 -3.759 1.00 42.21 C -ATOM 1000 OE1 GLU A 141 -1.169 -11.511 -2.969 1.00 34.90 O -ATOM 1001 OE2 GLU A 141 -2.759 -12.341 -4.240 1.00 46.47 O -ATOM 1002 N SER A 142 3.204 -13.611 -5.512 1.00 32.03 N -ATOM 1003 CA SER A 142 3.690 -13.221 -6.830 1.00 26.56 C -ATOM 1004 C SER A 142 4.331 -14.389 -7.578 1.00 27.11 C -ATOM 1005 O SER A 142 4.571 -14.306 -8.783 1.00 30.51 O -ATOM 1006 CB SER A 142 4.668 -12.048 -6.722 1.00 24.69 C -ATOM 1007 OG SER A 142 4.036 -10.901 -6.184 1.00 23.94 O -ATOM 1008 N LEU A 143 4.601 -15.475 -6.860 1.00 33.94 N -ATOM 1009 CA LEU A 143 5.202 -16.662 -7.460 1.00 31.40 C -ATOM 1010 C LEU A 143 6.493 -16.306 -8.186 1.00 28.22 C -ATOM 1011 O LEU A 143 6.750 -16.784 -9.291 1.00 32.55 O -ATOM 1012 CB LEU A 143 4.222 -17.332 -8.426 1.00 31.62 C -ATOM 1013 CG LEU A 143 2.909 -17.841 -7.825 1.00 34.44 C -ATOM 1014 CD1 LEU A 143 1.968 -18.335 -8.916 1.00 22.00 C -ATOM 1015 CD2 LEU A 143 3.167 -18.933 -6.794 1.00 32.54 C -ATOM 1016 N ASP A 144 7.300 -15.462 -7.555 1.00 29.96 N -ATOM 1017 CA ASP A 144 8.559 -15.013 -8.138 1.00 29.38 C -ATOM 1018 C ASP A 144 9.717 -15.868 -7.636 1.00 39.85 C -ATOM 1019 O ASP A 144 10.111 -15.772 -6.474 1.00 40.78 O -ATOM 1020 CB ASP A 144 8.798 -13.539 -7.798 1.00 30.66 C -ATOM 1021 CG ASP A 144 9.986 -12.951 -8.533 1.00 39.84 C -ATOM 1022 OD1 ASP A 144 10.939 -13.699 -8.835 1.00 38.53 O -ATOM 1023 OD2 ASP A 144 9.963 -11.734 -8.811 1.00 36.77 O -ATOM 1024 N MET A 145 10.263 -16.698 -8.520 1.00 43.87 N -ATOM 1025 CA MET A 145 11.339 -17.614 -8.152 1.00 40.77 C -ATOM 1026 C MET A 145 12.668 -16.898 -7.909 1.00 34.97 C -ATOM 1027 O MET A 145 13.682 -17.541 -7.638 1.00 33.18 O -ATOM 1028 CB MET A 145 11.511 -18.701 -9.219 1.00 48.06 C -ATOM 1029 CG MET A 145 10.292 -19.596 -9.408 1.00 62.74 C -ATOM 1030 SD MET A 145 10.557 -20.901 -10.629 1.00 92.82 S -ATOM 1031 CE MET A 145 11.841 -21.860 -9.819 1.00 74.94 C -ATOM 1032 N GLU A 146 12.660 -15.572 -8.008 1.00 32.83 N -ATOM 1033 CA GLU A 146 13.860 -14.777 -7.751 1.00 35.45 C -ATOM 1034 C GLU A 146 13.769 -14.026 -6.425 1.00 33.53 C -ATOM 1035 O GLU A 146 14.757 -13.463 -5.951 1.00 36.66 O -ATOM 1036 CB GLU A 146 14.121 -13.791 -8.894 1.00 37.63 C -ATOM 1037 CG GLU A 146 14.736 -14.412 -10.141 1.00 43.54 C -ATOM 1038 CD GLU A 146 15.277 -13.369 -11.104 1.00 54.35 C -ATOM 1039 OE1 GLU A 146 15.147 -12.161 -10.811 1.00 55.11 O -ATOM 1040 OE2 GLU A 146 15.836 -13.757 -12.152 1.00 53.43 O -ATOM 1041 N ALA A 147 12.579 -14.022 -5.832 1.00 33.70 N -ATOM 1042 CA ALA A 147 12.349 -13.331 -4.568 1.00 31.51 C -ATOM 1043 C ALA A 147 12.534 -14.266 -3.376 1.00 30.20 C -ATOM 1044 O ALA A 147 13.153 -15.322 -3.494 1.00 27.77 O -ATOM 1045 CB ALA A 147 10.964 -12.707 -4.549 1.00 31.06 C -ATOM 1046 N GLY A 148 11.983 -13.873 -2.233 1.00 25.69 N -ATOM 1047 CA GLY A 148 12.153 -14.618 -1.000 1.00 28.96 C -ATOM 1048 C GLY A 148 11.399 -15.933 -0.930 1.00 33.22 C -ATOM 1049 O GLY A 148 10.201 -15.996 -1.214 1.00 33.51 O -ATOM 1050 N ILE A 149 12.111 -16.989 -0.549 1.00 31.36 N -ATOM 1051 CA ILE A 149 11.502 -18.296 -0.325 1.00 32.34 C -ATOM 1052 C ILE A 149 11.235 -18.504 1.158 1.00 26.62 C -ATOM 1053 O ILE A 149 12.127 -18.317 1.986 1.00 33.20 O -ATOM 1054 CB ILE A 149 12.412 -19.438 -0.815 1.00 28.92 C -ATOM 1055 CG1 ILE A 149 12.304 -19.595 -2.331 1.00 28.67 C -ATOM 1056 CG2 ILE A 149 12.037 -20.747 -0.132 1.00 28.14 C -ATOM 1057 CD1 ILE A 149 11.014 -20.234 -2.785 1.00 27.57 C -ATOM 1058 N ILE A 150 10.009 -18.889 1.496 1.00 27.51 N -ATOM 1059 CA ILE A 150 9.675 -19.185 2.883 1.00 26.82 C -ATOM 1060 C ILE A 150 9.905 -20.663 3.170 1.00 30.17 C -ATOM 1061 O ILE A 150 9.386 -21.533 2.470 1.00 26.95 O -ATOM 1062 CB ILE A 150 8.217 -18.821 3.227 1.00 29.34 C -ATOM 1063 CG1 ILE A 150 7.924 -17.360 2.879 1.00 22.74 C -ATOM 1064 CG2 ILE A 150 7.939 -19.086 4.697 1.00 24.95 C -ATOM 1065 CD1 ILE A 150 7.521 -17.144 1.440 1.00 23.37 C -ATOM 1066 N TYR A 151 10.691 -20.939 4.204 1.00 28.22 N -ATOM 1067 CA TYR A 151 11.027 -22.309 4.565 1.00 28.26 C -ATOM 1068 C TYR A 151 10.090 -22.839 5.639 1.00 24.96 C -ATOM 1069 O TYR A 151 9.633 -22.091 6.501 1.00 25.42 O -ATOM 1070 CB TYR A 151 12.470 -22.393 5.063 1.00 28.55 C -ATOM 1071 CG TYR A 151 13.489 -21.789 4.126 1.00 30.28 C -ATOM 1072 CD1 TYR A 151 13.796 -20.436 4.184 1.00 27.46 C -ATOM 1073 CD2 TYR A 151 14.150 -22.572 3.188 1.00 28.46 C -ATOM 1074 CE1 TYR A 151 14.730 -19.878 3.332 1.00 25.55 C -ATOM 1075 CE2 TYR A 151 15.085 -22.023 2.332 1.00 30.06 C -ATOM 1076 CZ TYR A 151 15.371 -20.677 2.409 1.00 29.63 C -ATOM 1077 OH TYR A 151 16.302 -20.127 1.558 1.00 34.57 O -ATOM 1078 N SER A 152 9.809 -24.135 5.582 1.00 21.03 N -ATOM 1079 CA SER A 152 8.994 -24.782 6.602 1.00 25.89 C -ATOM 1080 C SER A 152 9.485 -26.199 6.862 1.00 26.73 C -ATOM 1081 O SER A 152 9.946 -26.885 5.950 1.00 29.28 O -ATOM 1082 CB SER A 152 7.523 -24.814 6.189 1.00 24.84 C -ATOM 1083 OG SER A 152 7.289 -25.835 5.237 1.00 33.79 O -ATOM 1084 N TYR A 153 9.377 -26.626 8.114 1.00 22.40 N -ATOM 1085 CA TYR A 153 9.788 -27.961 8.515 1.00 23.40 C -ATOM 1086 C TYR A 153 8.972 -28.381 9.727 1.00 27.07 C -ATOM 1087 O TYR A 153 8.365 -27.546 10.398 1.00 28.78 O -ATOM 1088 CB TYR A 153 11.272 -27.970 8.876 1.00 21.62 C -ATOM 1089 CG TYR A 153 11.572 -27.276 10.184 1.00 20.55 C -ATOM 1090 CD1 TYR A 153 11.669 -25.892 10.252 1.00 18.96 C -ATOM 1091 CD2 TYR A 153 11.749 -28.004 11.354 1.00 23.22 C -ATOM 1092 CE1 TYR A 153 11.938 -25.252 11.447 1.00 21.49 C -ATOM 1093 CE2 TYR A 153 12.018 -27.374 12.556 1.00 20.12 C -ATOM 1094 CZ TYR A 153 12.112 -25.997 12.596 1.00 25.50 C -ATOM 1095 OH TYR A 153 12.380 -25.364 13.786 1.00 23.01 O -ATOM 1096 N TYR A 154 8.967 -29.676 10.012 1.00 18.43 N -ATOM 1097 CA TYR A 154 8.257 -30.201 11.168 1.00 23.37 C -ATOM 1098 C TYR A 154 9.230 -30.477 12.307 1.00 23.89 C -ATOM 1099 O TYR A 154 10.175 -31.247 12.148 1.00 31.17 O -ATOM 1100 CB TYR A 154 7.510 -31.483 10.793 1.00 22.75 C -ATOM 1101 CG TYR A 154 6.336 -31.263 9.868 1.00 24.73 C -ATOM 1102 CD1 TYR A 154 6.524 -31.076 8.504 1.00 25.15 C -ATOM 1103 CD2 TYR A 154 5.036 -31.246 10.359 1.00 21.90 C -ATOM 1104 CE1 TYR A 154 5.448 -30.873 7.655 1.00 24.67 C -ATOM 1105 CE2 TYR A 154 3.957 -31.046 9.519 1.00 24.58 C -ATOM 1106 CZ TYR A 154 4.168 -30.860 8.169 1.00 30.81 C -ATOM 1107 OH TYR A 154 3.096 -30.660 7.329 1.00 31.65 O -ATOM 1108 N LYS A 155 9.005 -29.843 13.454 1.00 20.85 N -ATOM 1109 CA LYS A 155 9.826 -30.101 14.632 1.00 30.66 C -ATOM 1110 C LYS A 155 9.341 -31.355 15.350 1.00 31.10 C -ATOM 1111 O LYS A 155 8.175 -31.447 15.731 1.00 31.70 O -ATOM 1112 CB LYS A 155 9.804 -28.910 15.595 1.00 28.21 C -ATOM 1113 CG LYS A 155 10.665 -29.117 16.836 1.00 26.69 C -ATOM 1114 CD LYS A 155 10.358 -28.104 17.933 1.00 39.37 C -ATOM 1115 CE LYS A 155 11.175 -26.828 17.787 1.00 43.25 C -ATOM 1116 NZ LYS A 155 11.037 -25.949 18.985 1.00 42.98 N -ATOM 1117 N GLY A 156 10.239 -32.317 15.533 1.00 30.01 N -ATOM 1118 CA GLY A 156 9.896 -33.562 16.195 1.00 26.60 C -ATOM 1119 C GLY A 156 8.653 -34.214 15.621 1.00 32.83 C -ATOM 1120 O GLY A 156 8.581 -34.496 14.425 1.00 30.47 O -ATOM 1121 N GLU A 157 7.666 -34.446 16.479 1.00 33.15 N -ATOM 1122 CA GLU A 157 6.434 -35.110 16.071 1.00 34.13 C -ATOM 1123 C GLU A 157 5.272 -34.127 15.977 1.00 34.19 C -ATOM 1124 O GLU A 157 4.110 -34.533 15.950 1.00 33.30 O -ATOM 1125 CB GLU A 157 6.086 -36.234 17.050 1.00 42.22 C -ATOM 1126 CG GLU A 157 7.193 -37.259 17.235 1.00 43.58 C -ATOM 1127 CD GLU A 157 6.881 -38.267 18.323 1.00 50.69 C -ATOM 1128 OE1 GLU A 157 5.800 -38.890 18.265 1.00 43.31 O -ATOM 1129 OE2 GLU A 157 7.714 -38.432 19.240 1.00 63.29 O -ATOM 1130 N GLU A 158 5.587 -32.837 15.928 1.00 31.12 N -ATOM 1131 CA GLU A 158 4.557 -31.807 15.826 1.00 32.59 C -ATOM 1132 C GLU A 158 3.725 -31.991 14.559 1.00 35.80 C -ATOM 1133 O GLU A 158 4.247 -32.382 13.516 1.00 37.09 O -ATOM 1134 CB GLU A 158 5.171 -30.405 15.884 1.00 29.00 C -ATOM 1135 CG GLU A 158 5.745 -30.042 17.249 1.00 23.55 C -ATOM 1136 CD GLU A 158 6.257 -28.613 17.321 1.00 34.88 C -ATOM 1137 OE1 GLU A 158 6.082 -27.863 16.337 1.00 28.85 O -ATOM 1138 OE2 GLU A 158 6.837 -28.240 18.364 1.00 38.14 O -ATOM 1139 N ILE A 159 2.429 -31.715 14.662 1.00 32.61 N -ATOM 1140 CA ILE A 159 1.493 -31.979 13.572 1.00 33.30 C -ATOM 1141 C ILE A 159 1.513 -30.899 12.490 1.00 31.98 C -ATOM 1142 O ILE A 159 1.385 -31.200 11.302 1.00 32.66 O -ATOM 1143 CB ILE A 159 0.055 -32.177 14.103 1.00 40.24 C -ATOM 1144 CG1 ILE A 159 -0.006 -33.420 14.993 1.00 41.63 C -ATOM 1145 CG2 ILE A 159 -0.933 -32.303 12.955 1.00 43.29 C -ATOM 1146 CD1 ILE A 159 -1.371 -33.686 15.584 1.00 47.75 C -ATOM 1147 N THR A 160 1.679 -29.645 12.901 1.00 32.03 N -ATOM 1148 CA THR A 160 1.769 -28.540 11.950 1.00 34.44 C -ATOM 1149 C THR A 160 3.205 -28.036 11.818 1.00 27.88 C -ATOM 1150 O THR A 160 3.981 -28.104 12.771 1.00 31.76 O -ATOM 1151 CB THR A 160 0.838 -27.374 12.341 1.00 35.93 C -ATOM 1152 OG1 THR A 160 1.144 -26.942 13.673 1.00 32.96 O -ATOM 1153 CG2 THR A 160 -0.617 -27.810 12.274 1.00 28.32 C -ATOM 1154 N PRO A 161 3.561 -27.529 10.629 1.00 27.65 N -ATOM 1155 CA PRO A 161 4.934 -27.107 10.331 1.00 27.01 C -ATOM 1156 C PRO A 161 5.330 -25.814 11.041 1.00 25.62 C -ATOM 1157 O PRO A 161 4.484 -25.128 11.615 1.00 27.28 O -ATOM 1158 CB PRO A 161 4.912 -26.876 8.810 1.00 23.76 C -ATOM 1159 CG PRO A 161 3.637 -27.513 8.320 1.00 28.72 C -ATOM 1160 CD PRO A 161 2.681 -27.392 9.457 1.00 28.46 C -ATOM 1161 N ARG A 162 6.622 -25.503 11.006 1.00 30.41 N -ATOM 1162 CA ARG A 162 7.134 -24.228 11.485 1.00 27.71 C -ATOM 1163 C ARG A 162 7.763 -23.516 10.299 1.00 25.86 C -ATOM 1164 O ARG A 162 8.423 -24.147 9.475 1.00 24.01 O -ATOM 1165 CB ARG A 162 8.169 -24.440 12.590 1.00 20.91 C -ATOM 1166 CG ARG A 162 7.563 -24.788 13.936 1.00 28.84 C -ATOM 1167 CD ARG A 162 8.605 -25.335 14.895 1.00 31.31 C -ATOM 1168 NE ARG A 162 8.034 -25.599 16.212 1.00 41.29 N -ATOM 1169 CZ ARG A 162 7.999 -24.714 17.203 1.00 44.24 C -ATOM 1170 NH1 ARG A 162 8.508 -23.502 17.031 1.00 43.14 N -ATOM 1171 NH2 ARG A 162 7.456 -25.042 18.367 1.00 40.87 N -ATOM 1172 N PHE A 163 7.551 -22.208 10.205 1.00 29.05 N -ATOM 1173 CA PHE A 163 8.004 -21.451 9.045 1.00 25.49 C -ATOM 1174 C PHE A 163 9.156 -20.507 9.376 1.00 25.93 C -ATOM 1175 O PHE A 163 9.106 -19.760 10.353 1.00 26.78 O -ATOM 1176 CB PHE A 163 6.836 -20.682 8.420 1.00 25.91 C -ATOM 1177 CG PHE A 163 5.821 -21.567 7.748 1.00 24.86 C -ATOM 1178 CD1 PHE A 163 4.909 -22.291 8.499 1.00 24.74 C -ATOM 1179 CD2 PHE A 163 5.781 -21.677 6.367 1.00 25.61 C -ATOM 1180 CE1 PHE A 163 3.977 -23.109 7.886 1.00 28.62 C -ATOM 1181 CE2 PHE A 163 4.851 -22.493 5.749 1.00 22.83 C -ATOM 1182 CZ PHE A 163 3.949 -23.209 6.511 1.00 26.54 C -ATOM 1183 N VAL A 164 10.194 -20.549 8.548 1.00 25.00 N -ATOM 1184 CA VAL A 164 11.389 -19.744 8.765 1.00 25.17 C -ATOM 1185 C VAL A 164 11.554 -18.682 7.682 1.00 25.08 C -ATOM 1186 O VAL A 164 11.415 -18.967 6.493 1.00 24.66 O -ATOM 1187 CB VAL A 164 12.648 -20.623 8.798 1.00 21.13 C -ATOM 1188 CG1 VAL A 164 13.879 -19.774 9.057 1.00 22.43 C -ATOM 1189 CG2 VAL A 164 12.503 -21.701 9.859 1.00 17.17 C -ATOM 1190 N TYR A 165 11.853 -17.457 8.098 1.00 26.56 N -ATOM 1191 CA TYR A 165 11.998 -16.350 7.163 1.00 25.75 C -ATOM 1192 C TYR A 165 13.397 -15.750 7.225 1.00 23.36 C -ATOM 1193 O TYR A 165 13.943 -15.551 8.308 1.00 23.86 O -ATOM 1194 CB TYR A 165 10.976 -15.254 7.473 1.00 27.28 C -ATOM 1195 CG TYR A 165 9.530 -15.695 7.420 1.00 24.61 C -ATOM 1196 CD1 TYR A 165 8.987 -16.484 8.426 1.00 21.90 C -ATOM 1197 CD2 TYR A 165 8.703 -15.301 6.377 1.00 20.50 C -ATOM 1198 CE1 TYR A 165 7.664 -16.884 8.387 1.00 24.12 C -ATOM 1199 CE2 TYR A 165 7.377 -15.693 6.328 1.00 24.12 C -ATOM 1200 CZ TYR A 165 6.863 -16.484 7.335 1.00 28.48 C -ATOM 1201 OH TYR A 165 5.547 -16.876 7.289 1.00 26.05 O -ATOM 1202 N ILE A 166 13.973 -15.458 6.062 1.00 23.19 N -ATOM 1203 CA ILE A 166 15.202 -14.672 6.002 1.00 26.93 C -ATOM 1204 C ILE A 166 14.822 -13.192 6.063 1.00 27.68 C -ATOM 1205 O ILE A 166 14.381 -12.608 5.074 1.00 24.30 O -ATOM 1206 CB ILE A 166 16.019 -14.977 4.731 1.00 27.38 C -ATOM 1207 CG1 ILE A 166 16.345 -16.472 4.653 1.00 22.88 C -ATOM 1208 CG2 ILE A 166 17.299 -14.157 4.706 1.00 20.82 C -ATOM 1209 CD1 ILE A 166 17.222 -16.849 3.478 1.00 21.61 C -ATOM 1210 N SER A 167 15.008 -12.596 7.236 1.00 21.41 N -ATOM 1211 CA SER A 167 14.410 -11.303 7.573 1.00 24.59 C -ATOM 1212 C SER A 167 14.913 -10.087 6.784 1.00 23.68 C -ATOM 1213 O SER A 167 14.181 -9.106 6.630 1.00 30.45 O -ATOM 1214 CB SER A 167 14.540 -11.037 9.076 1.00 26.11 C -ATOM 1215 OG SER A 167 15.897 -11.045 9.480 1.00 34.08 O -ATOM 1216 N ASP A 168 16.148 -10.138 6.293 1.00 23.93 N -ATOM 1217 CA ASP A 168 16.709 -9.010 5.547 1.00 25.08 C -ATOM 1218 C ASP A 168 16.144 -8.914 4.134 1.00 24.29 C -ATOM 1219 O ASP A 168 16.407 -7.948 3.414 1.00 21.30 O -ATOM 1220 CB ASP A 168 18.239 -9.084 5.503 1.00 26.52 C -ATOM 1221 CG ASP A 168 18.880 -8.721 6.828 1.00 29.38 C -ATOM 1222 OD1 ASP A 168 18.850 -7.527 7.195 1.00 24.66 O -ATOM 1223 OD2 ASP A 168 19.419 -9.628 7.494 1.00 30.17 O -ATOM 1224 N GLY A 169 15.376 -9.924 3.741 1.00 26.08 N -ATOM 1225 CA GLY A 169 14.676 -9.896 2.472 1.00 22.02 C -ATOM 1226 C GLY A 169 13.276 -9.354 2.677 1.00 24.36 C -ATOM 1227 O GLY A 169 12.472 -9.287 1.747 1.00 25.07 O -ATOM 1228 N LEU A 170 12.991 -8.959 3.913 1.00 22.77 N -ATOM 1229 CA LEU A 170 11.676 -8.454 4.274 1.00 21.64 C -ATOM 1230 C LEU A 170 11.763 -7.043 4.838 1.00 25.26 C -ATOM 1231 O LEU A 170 12.828 -6.594 5.263 1.00 26.97 O -ATOM 1232 CB LEU A 170 11.022 -9.366 5.314 1.00 19.75 C -ATOM 1233 CG LEU A 170 10.874 -10.856 5.007 1.00 21.57 C -ATOM 1234 CD1 LEU A 170 10.319 -11.586 6.222 1.00 19.38 C -ATOM 1235 CD2 LEU A 170 9.987 -11.087 3.794 1.00 19.82 C -ATOM 1236 N PHE A 171 10.631 -6.348 4.837 1.00 26.38 N -ATOM 1237 CA PHE A 171 10.515 -5.075 5.535 1.00 29.81 C -ATOM 1238 C PHE A 171 9.181 -5.017 6.269 1.00 29.53 C -ATOM 1239 O PHE A 171 8.214 -5.663 5.868 1.00 23.59 O -ATOM 1240 CB PHE A 171 10.669 -3.894 4.572 1.00 26.22 C -ATOM 1241 CG PHE A 171 9.497 -3.695 3.653 1.00 25.01 C -ATOM 1242 CD1 PHE A 171 9.476 -4.279 2.398 1.00 24.14 C -ATOM 1243 CD2 PHE A 171 8.423 -2.909 4.039 1.00 27.23 C -ATOM 1244 CE1 PHE A 171 8.401 -4.089 1.548 1.00 22.77 C -ATOM 1245 CE2 PHE A 171 7.347 -2.717 3.195 1.00 28.88 C -ATOM 1246 CZ PHE A 171 7.337 -3.308 1.948 1.00 30.89 C -ATOM 1247 N GLU A 172 9.137 -4.248 7.349 1.00 29.06 N -ATOM 1248 CA GLU A 172 7.948 -4.189 8.186 1.00 31.18 C -ATOM 1249 C GLU A 172 7.076 -2.994 7.829 1.00 31.85 C -ATOM 1250 O GLU A 172 7.580 -1.925 7.490 1.00 28.37 O -ATOM 1251 CB GLU A 172 8.341 -4.133 9.663 1.00 32.81 C -ATOM 1252 CG GLU A 172 9.229 -5.283 10.110 1.00 45.04 C -ATOM 1253 CD GLU A 172 9.618 -5.186 11.574 1.00 47.27 C -ATOM 1254 OE1 GLU A 172 8.888 -4.526 12.344 1.00 35.93 O -ATOM 1255 OE2 GLU A 172 10.658 -5.767 11.953 1.00 45.94 O -ATOM 1256 N GLU A 173 5.763 -3.184 7.901 1.00 30.02 N -ATOM 1257 CA GLU A 173 4.825 -2.104 7.621 1.00 34.28 C -ATOM 1258 C GLU A 173 3.684 -2.099 8.631 1.00 35.24 C -ATOM 1259 O GLU A 173 2.869 -3.021 8.675 1.00 35.99 O -ATOM 1260 CB GLU A 173 4.288 -2.204 6.190 1.00 33.21 C -ATOM 1261 CG GLU A 173 3.630 -0.927 5.681 1.00 39.73 C -ATOM 1262 CD GLU A 173 3.532 -0.888 4.166 1.00 46.69 C -ATOM 1263 OE1 GLU A 173 4.251 -1.666 3.503 1.00 50.33 O -ATOM 1264 OE2 GLU A 173 2.739 -0.081 3.636 1.00 50.95 O -ATOM 1265 N LYS A 174 3.644 -1.053 9.448 1.00 33.90 N -ATOM 1266 CA LYS A 174 2.630 -0.918 10.482 1.00 33.47 C -ATOM 1267 C LYS A 174 1.332 -0.376 9.893 1.00 36.28 C -ATOM 1268 O LYS A 174 1.352 0.508 9.036 1.00 44.07 O -ATOM 1269 CB LYS A 174 3.138 0.005 11.590 1.00 33.42 C -ATOM 1270 CG LYS A 174 3.026 -0.577 12.986 1.00 44.98 C -ATOM 1271 CD LYS A 174 4.213 -0.165 13.841 1.00 35.17 C -ATOM 1272 CE LYS A 174 5.514 -0.675 13.239 1.00 40.59 C -ATOM 1273 NZ LYS A 174 6.698 -0.337 14.076 1.00 55.22 N -ATOM 1274 N TYR A 175 0.204 -0.912 10.347 1.00 36.62 N -ATOM 1275 CA TYR A 175 -1.092 -0.463 9.852 1.00 34.22 C -ATOM 1276 C TYR A 175 -2.043 -0.089 10.984 1.00 32.42 C -ATOM 1277 O TYR A 175 -2.307 -0.890 11.881 1.00 38.52 O -ATOM 1278 CB TYR A 175 -1.734 -1.523 8.951 1.00 39.90 C -ATOM 1279 CG TYR A 175 -1.153 -1.591 7.557 1.00 48.04 C -ATOM 1280 CD1 TYR A 175 -1.444 -0.613 6.613 1.00 36.84 C -ATOM 1281 CD2 TYR A 175 -0.322 -2.640 7.179 1.00 45.78 C -ATOM 1282 CE1 TYR A 175 -0.917 -0.675 5.334 1.00 39.54 C -ATOM 1283 CE2 TYR A 175 0.210 -2.706 5.903 1.00 44.61 C -ATOM 1284 CZ TYR A 175 -0.092 -1.722 4.986 1.00 48.54 C -ATOM 1285 OH TYR A 175 0.433 -1.784 3.714 1.00 51.78 O -ATOM 1286 N LEU A 176 -2.550 1.138 10.931 1.00 31.10 N -ATOM 1287 CA LEU A 176 -3.548 1.614 11.881 1.00 29.10 C -ATOM 1288 C LEU A 176 -4.708 2.256 11.129 1.00 35.44 C -ATOM 1289 O LEU A 176 -4.688 3.452 10.838 1.00 37.54 O -ATOM 1290 CB LEU A 176 -2.928 2.612 12.860 1.00 29.14 C -ATOM 1291 CG LEU A 176 -3.887 3.302 13.834 1.00 35.84 C -ATOM 1292 CD1 LEU A 176 -4.890 2.312 14.413 1.00 32.90 C -ATOM 1293 CD2 LEU A 176 -3.110 4.001 14.939 1.00 27.24 C -ATOM 1294 N GLU A 177 -5.718 1.450 10.820 1.00 34.87 N -ATOM 1295 CA GLU A 177 -6.829 1.892 9.987 1.00 31.12 C -ATOM 1296 C GLU A 177 -8.136 1.921 10.765 1.00 27.77 C -ATOM 1297 O GLU A 177 -8.194 1.490 11.916 1.00 26.27 O -ATOM 1298 CB GLU A 177 -6.974 0.957 8.788 1.00 33.50 C -ATOM 1299 CG GLU A 177 -5.703 0.797 7.975 1.00 35.34 C -ATOM 1300 CD GLU A 177 -5.563 -0.592 7.380 1.00 45.69 C -ATOM 1301 OE1 GLU A 177 -5.948 -1.571 8.056 1.00 36.86 O -ATOM 1302 OE2 GLU A 177 -5.075 -0.702 6.235 1.00 43.87 O -ATOM 1303 N HIS A 178 -9.183 2.437 10.132 1.00 29.89 N -ATOM 1304 CA HIS A 178 -10.512 2.417 10.726 1.00 25.19 C -ATOM 1305 C HIS A 178 -11.305 1.238 10.183 1.00 27.09 C -ATOM 1306 O HIS A 178 -12.509 1.117 10.411 1.00 25.33 O -ATOM 1307 CB HIS A 178 -11.238 3.737 10.476 1.00 27.69 C -ATOM 1308 CG HIS A 178 -10.767 4.849 11.360 1.00 33.69 C -ATOM 1309 ND1 HIS A 178 -10.452 4.659 12.683 1.00 32.95 N -ATOM 1310 CD2 HIS A 178 -10.547 6.163 11.102 1.00 39.71 C -ATOM 1311 CE1 HIS A 178 -10.062 5.808 13.214 1.00 32.58 C -ATOM 1312 NE2 HIS A 178 -10.111 6.732 12.273 1.00 40.84 N -ATOM 1313 N HIS A 179 -10.606 0.369 9.461 1.00 25.63 N -ATOM 1314 CA HIS A 179 -11.178 -0.871 8.962 1.00 24.44 C -ATOM 1315 C HIS A 179 -10.115 -1.960 9.015 1.00 28.38 C -ATOM 1316 O HIS A 179 -8.917 -1.668 9.027 1.00 28.07 O -ATOM 1317 CB HIS A 179 -11.686 -0.694 7.532 1.00 29.04 C -ATOM 1318 CG HIS A 179 -10.619 -0.304 6.555 1.00 33.49 C -ATOM 1319 ND1 HIS A 179 -9.659 -1.186 6.112 1.00 36.65 N -ATOM 1320 CD2 HIS A 179 -10.366 0.874 5.938 1.00 30.09 C -ATOM 1321 CE1 HIS A 179 -8.856 -0.567 5.262 1.00 29.20 C -ATOM 1322 NE2 HIS A 179 -9.264 0.681 5.138 1.00 32.47 N -ATOM 1323 N HIS A 180 -10.555 -3.213 9.050 1.00 35.16 N -ATOM 1324 CA HIS A 180 -9.634 -4.341 9.102 1.00 36.87 C -ATOM 1325 C HIS A 180 -8.660 -4.286 7.932 1.00 36.12 C -ATOM 1326 O HIS A 180 -9.002 -3.805 6.854 1.00 40.38 O -ATOM 1327 CB HIS A 180 -10.405 -5.662 9.081 1.00 32.62 C -ATOM 1328 CG HIS A 180 -10.880 -6.063 7.721 1.00 30.44 C -ATOM 1329 ND1 HIS A 180 -10.320 -7.112 7.016 1.00 35.44 N -ATOM 1330 CD2 HIS A 180 -11.857 -5.563 6.929 1.00 37.23 C -ATOM 1331 CE1 HIS A 180 -10.936 -7.238 5.855 1.00 34.36 C -ATOM 1332 NE2 HIS A 180 -11.873 -6.309 5.778 1.00 43.29 N -ATOM 1333 N HIS A 181 -7.444 -4.774 8.150 1.00 37.59 N -ATOM 1334 CA HIS A 181 -6.429 -4.772 7.105 1.00 34.90 C -ATOM 1335 C HIS A 181 -6.602 -5.954 6.160 1.00 36.02 C -ATOM 1336 O HIS A 181 -6.778 -7.091 6.598 1.00 34.12 O -ATOM 1337 CB HIS A 181 -5.024 -4.793 7.709 1.00 37.26 C -ATOM 1338 CG HIS A 181 -3.936 -4.987 6.695 1.00 40.68 C -ATOM 1339 ND1 HIS A 181 -3.382 -3.943 5.990 1.00 49.28 N -ATOM 1340 CD2 HIS A 181 -3.309 -6.109 6.269 1.00 39.62 C -ATOM 1341 CE1 HIS A 181 -2.454 -4.412 5.171 1.00 42.25 C -ATOM 1342 NE2 HIS A 181 -2.390 -5.720 5.320 1.00 45.80 N -ATOM 1343 N HIS A 182 -6.553 -5.677 4.861 1.00 43.79 N -ATOM 1344 CA HIS A 182 -6.623 -6.726 3.846 1.00 44.44 C -ATOM 1345 C HIS A 182 -5.763 -6.372 2.634 1.00 50.90 C -ATOM 1346 O HIS A 182 -4.600 -6.787 2.549 1.00 49.59 O -ATOM 1347 CB HIS A 182 -8.067 -6.966 3.411 1.00 43.05 C -ATOM 1348 CG HIS A 182 -8.772 -5.723 2.945 1.00 49.94 C -ATOM 1349 ND1 HIS A 182 -9.512 -4.935 3.792 1.00 40.34 N -ATOM 1350 CD2 HIS A 182 -8.840 -5.147 1.723 1.00 50.24 C -ATOM 1351 CE1 HIS A 182 -10.015 -3.912 3.107 1.00 40.72 C -ATOM 1352 NE2 HIS A 182 -9.622 -4.020 1.859 1.00 47.16 N -TER 1353 HIS A 182 -HETATM 1354 O HOH A 184 6.497 -28.089 13.790 1.00 22.83 O -HETATM 1355 O HOH A 185 13.390 -11.035 -0.244 1.00 25.89 O -HETATM 1356 O HOH A 186 15.164 -17.554 0.723 1.00 29.13 O -HETATM 1357 O HOH A 187 10.190 -33.706 12.206 1.00 20.98 O -HETATM 1358 O HOH A 188 2.314 -13.742 -0.033 1.00 23.38 O -HETATM 1359 O HOH A 189 19.085 -6.135 -5.689 1.00 28.07 O -HETATM 1360 O HOH A 190 -2.508 -12.441 10.183 1.00 22.53 O -HETATM 1361 O HOH A 191 5.587 -12.324 13.568 1.00 29.36 O -HETATM 1362 O HOH A 192 -6.431 -5.346 10.989 1.00 28.16 O -HETATM 1363 O HOH A 193 -3.212 -14.705 9.749 1.00 28.75 O -HETATM 1364 O HOH A 194 6.883 -28.327 6.044 1.00 28.17 O -HETATM 1365 O HOH A 195 15.374 -5.724 4.619 1.00 32.29 O -HETATM 1366 O HOH A 196 4.861 -18.478 16.607 1.00 30.12 O -HETATM 1367 O HOH A 197 11.185 -31.664 9.007 1.00 24.53 O -HETATM 1368 O HOH A 198 -2.989 -26.870 14.827 1.00 33.79 O -HETATM 1369 O HOH A 199 9.262 -30.841 5.762 1.00 34.58 O -HETATM 1370 O HOH A 200 27.183 -28.289 -11.033 1.00 39.97 O -HETATM 1371 O HOH A 201 -6.763 -14.570 6.951 1.00 30.98 O -HETATM 1372 O HOH A 202 0.227 -9.972 -0.804 1.00 27.84 O -HETATM 1373 O HOH A 203 13.157 -18.100 20.695 1.00 23.13 O -HETATM 1374 O HOH A 204 17.147 -5.297 6.774 1.00 26.64 O -HETATM 1375 O HOH A 205 7.887 -33.341 18.935 1.00 29.86 O -HETATM 1376 O HOH A 206 8.447 -13.714 -0.412 1.00 30.25 O -HETATM 1377 O HOH A 207 7.240 -12.796 -2.831 1.00 23.93 O -HETATM 1378 O HOH A 208 26.144 -16.892 13.578 1.00 19.26 O -HETATM 1379 O HOH A 209 23.919 -16.682 12.238 1.00 24.11 O -HETATM 1380 O HOH A 210 24.585 -13.799 15.768 1.00 33.56 O -HETATM 1381 O HOH A 211 24.314 -11.103 16.061 1.00 31.54 O -HETATM 1382 O HOH A 212 21.413 -11.861 -8.088 1.00 32.23 O -HETATM 1383 O HOH A 213 9.522 -15.995 -11.441 1.00 31.48 O -HETATM 1384 O HOH A 214 -16.295 3.201 16.547 1.00 29.76 O -HETATM 1385 O HOH A 215 23.147 -22.770 18.684 1.00 32.87 O -HETATM 1386 O HOH A 216 11.266 -2.516 8.526 1.00 29.39 O -HETATM 1387 O HOH A 217 26.501 -4.480 8.972 1.00 26.79 O -HETATM 1388 O HOH A 218 1.580 -30.787 17.333 1.00 31.71 O -HETATM 1389 O HOH A 219 8.583 -2.046 12.139 1.00 31.54 O -HETATM 1390 O HOH A 220 1.730 -19.264 16.454 1.00 32.94 O -HETATM 1391 O HOH A 221 -6.490 -3.036 4.076 1.00 37.74 O -HETATM 1392 O HOH A 222 21.074 -13.265 17.278 1.00 27.98 O -HETATM 1393 O HOH A 223 14.091 -20.913 21.623 1.00 28.00 O -HETATM 1394 O HOH A 224 -0.440 -4.797 16.100 1.00 30.94 O -HETATM 1395 O HOH A 225 16.218 -13.784 20.406 1.00 27.71 O -HETATM 1396 O HOH A 226 17.130 -20.810 21.680 1.00 28.80 O -HETATM 1397 O HOH A 227 25.264 -29.719 2.279 1.00 26.63 O -HETATM 1398 O HOH A 228 9.317 -16.385 -3.525 1.00 32.53 O -HETATM 1399 O HOH A 229 11.404 -29.878 -2.638 1.00 34.18 O -HETATM 1400 O HOH A 230 12.949 -13.867 2.756 1.00 27.57 O -HETATM 1401 O HOH A 231 -3.279 -7.940 1.096 1.00 28.88 O -HETATM 1402 O HOH A 232 12.235 -23.867 17.386 1.00 36.36 O -HETATM 1403 O HOH A 233 -8.966 4.006 8.059 1.00 36.98 O -HETATM 1404 O HOH A 234 28.003 -3.134 7.008 1.00 35.57 O -HETATM 1405 O HOH A 235 7.293 -14.673 -4.815 1.00 28.51 O -HETATM 1406 O HOH A 236 25.692 -9.254 14.963 1.00 31.40 O -HETATM 1407 O HOH A 237 1.949 1.865 6.899 1.00 40.20 O -HETATM 1408 O HOH A 238 13.428 -30.648 0.890 1.00 33.68 O -HETATM 1409 O HOH A 239 12.590 -16.064 3.246 1.00 34.44 O -HETATM 1410 O HOH A 240 -0.554 -20.262 14.806 1.00 37.58 O -HETATM 1411 O HOH A 241 6.330 -29.270 -0.775 1.00 44.24 O -HETATM 1412 O HOH A 242 7.650 0.636 5.672 1.00 35.89 O -HETATM 1413 O HOH A 243 13.138 -32.411 14.368 1.00 34.49 O -HETATM 1414 O HOH A 244 26.714 -26.273 -9.397 1.00 41.51 O -HETATM 1415 O HOH A 245 -2.315 -20.786 -0.594 1.00 35.36 O -HETATM 1416 O HOH A 246 -2.298 -25.375 3.636 1.00 38.81 O -HETATM 1417 O HOH A 247 12.624 -21.699 18.420 1.00 31.43 O -HETATM 1418 O HOH A 248 24.407 -25.222 -7.730 1.00 35.52 O -HETATM 1419 O HOH A 249 -7.406 2.023 3.792 1.00 32.39 O -MASTER 242 0 0 5 10 0 0 6 1418 1 0 15 -END diff --git a/moldesign/_tests/data/3p3k.pdb.gz b/moldesign/_tests/data/3p3k.pdb.gz new file mode 100644 index 0000000..85922be Binary files /dev/null and b/moldesign/_tests/data/3p3k.pdb.gz differ diff --git a/moldesign/_tests/molecule_fixtures.py b/moldesign/_tests/molecule_fixtures.py index d2ff3b5..a5431fb 100644 --- a/moldesign/_tests/molecule_fixtures.py +++ b/moldesign/_tests/molecule_fixtures.py @@ -29,7 +29,7 @@ def fixture_wrapper(func): # Tests around PDB ID 3AID @typedfixture('molecule') def pdb3aid(): - mol = mdt.read(get_data_path('3aid.pdb')) + mol = mdt.read(get_data_path('3aid.pdb.gz')) return mol diff --git a/moldesign/_tests/test_atom_containers.py b/moldesign/_tests/test_atom_containers.py index d791112..34af2c2 100644 --- a/moldesign/_tests/test_atom_containers.py +++ b/moldesign/_tests/test_atom_containers.py @@ -30,7 +30,7 @@ def fixture_wrapper(func): @typedfixture('container') def protein(): - return mdt.read(helpers.get_data_path('3aid.pdb')) + return mdt.read(helpers.get_data_path('3aid.pdb.gz')) @pytest.fixture diff --git a/moldesign/_tests/test_biopython_xface.py b/moldesign/_tests/test_biopython_xface.py index 829d4b3..3812a83 100644 --- a/moldesign/_tests/test_biopython_xface.py +++ b/moldesign/_tests/test_biopython_xface.py @@ -1,4 +1,4 @@ - +import io import pytest import Bio.PDB import moldesign as mdt @@ -9,8 +9,10 @@ @pytest.fixture def biopy_3aid(): + import gzip parser = Bio.PDB.PDBParser() - structure = parser.get_structure('3aid', get_data_path('3aid.pdb')) + s = gzip.open(get_data_path('3aid.pdb.gz'), 'r').read().decode('utf-8') + structure = parser.get_structure('3aid', io.StringIO(s)) return structure diff --git a/moldesign/_tests/test_pdb_processing.py b/moldesign/_tests/test_pdb_processing.py index c7febe4..9401493 100644 --- a/moldesign/_tests/test_pdb_processing.py +++ b/moldesign/_tests/test_pdb_processing.py @@ -15,7 +15,7 @@ @pytest.fixture def pdb_3ac2(): - return mdt.read(get_data_path('3ac2.pdb')) + return mdt.read(get_data_path('3ac2.pdb.bz2')) @pytest.fixture @@ -97,7 +97,7 @@ def test_missing_residues_nmr_5b7a(): @pytest.fixture def pdb_1pyn(): - return mdt.read(get_data_path('1pyn.pdb')) + return mdt.read(get_data_path('1pyn.pdb.gz')) @pytest.fixture diff --git a/moldesign/_tests/test_protein_primary_structure.py b/moldesign/_tests/test_protein_primary_structure.py index dafb55e..6f26599 100644 --- a/moldesign/_tests/test_protein_primary_structure.py +++ b/moldesign/_tests/test_protein_primary_structure.py @@ -25,12 +25,12 @@ def fixture_wrapper(func): @typedfixture('3AID', 'protein') def protease_pdb(): - return mdt.read(get_data_path('3aid.pdb')) + return mdt.read(get_data_path('3aid.pdb.gz')) @typedfixture('3AID', 'protein') def protease_cif(): - return mdt.read(get_data_path('3aid.cif')) + return mdt.read(get_data_path('3aid.cif.bz2')) def test_chain_types(protease_pdb): diff --git a/moldesign/_tests/test_tools.py b/moldesign/_tests/test_tools.py index 54a8537..376e489 100644 --- a/moldesign/_tests/test_tools.py +++ b/moldesign/_tests/test_tools.py @@ -108,7 +108,7 @@ def test_add_hydrogen_to_c2(c2_no_hydrogen_from_smiles): def test_split_chains_3p3k(): - mol = mdt.read(get_data_path('3p3k.pdb')) + mol = mdt.read(get_data_path('3p3k.pdb.gz')) assert mol.num_chains == 1 # not really testing this, just for sanity's sake newmol = mdt.split_chains(mol)