Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 02-JUL-99 1QUR TITLE HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED TITLE 2 SYNTHETIC INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN THROMBIN (ALPHA CHAIN); COMPND 3 CHAIN: L; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: HUMAN THROMBIN (BETA CHAIN); COMPND 6 CHAIN: H; COMPND 7 MOL_ID: 3; COMPND 8 MOLECULE: BIVALENT INHIBITOR (BZA-2 HIRULOG); COMPND 9 CHAIN: I; COMPND 10 ENGINEERED: YES; COMPND 11 OTHER_DETAILS: 2-NAPHTHYLSULFONYL-GLU(NH-(CH2)3-CO-(GLY)4-ASN-GLY- COMPND 12 ASP-TYR-GLU-PRO-ILE-PRO-GLU-GLU-ALA-CYCLOHEXYLALANINE-(D)GLU)-(D)4- COMPND 13 AMIDINOPHENYLALANINE-PIPERIDIDE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 7 ORGANISM_COMMON: HUMAN; SOURCE 8 ORGANISM_TAXID: 9606; SOURCE 9 MOL_ID: 3; SOURCE 10 SYNTHETIC: YES; SOURCE 11 OTHER_DETAILS: THE INHIBITOR WAS CHEMICALLY SYNTHESIZED AS SOURCE 12 COMBINATION OF ORGANIC AND SOLID PHASE PEPTIDE SYNTHESIS. THE ACTIVE SOURCE 13 SITE BINDING PORTION IS DERIVED FROM THE SYNTHETICAL INHIBITOR SOURCE 14 NAPAP,THE SEQUENCE OF THE EXOSITE BINDING PORTION WAS DERIVED FROM SOURCE 15 THE NATURALLY OCCURING INHIBITOR HIRUDIN, ISOLATED FROM THE MEDICAL SOURCE 16 LEECH AND THE SYNTHETICALLY SYNTHESIZED EXOSITE INHIBITOR MDL-28, SOURCE 17 050. KEYWDS TRYPSIN LIKE SERINE PROTEASE, BLOOD COAGULATION, HYDROLASE-HYDROLASE KEYWDS 2 INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.RENATUS,T.STEINMETZER REVDAT 5 13-JUL-11 1QUR 1 VERSN REVDAT 4 24-FEB-09 1QUR 1 VERSN REVDAT 3 01-APR-03 1QUR 1 JRNL REVDAT 2 15-NOV-00 1QUR 3 ATOM REMARK REVDAT 1 14-OCT-99 1QUR 0 JRNL AUTH T.STEINMETZER,M.RENATUS,S.KUNZEL,A.EICHINGER,W.BODE, JRNL AUTH 2 P.WIKSTROM,J.HAUPTMANN,J.STURZEBECHER JRNL TITL DESIGN AND EVALUATION OF NOVEL BIVALENT THROMBIN INHIBITORS JRNL TITL 2 BASED ON AMIDINOPHENYLALANINES. JRNL REF EUR.J.BIOCHEM. V. 265 598 1999 JRNL REFN ISSN 0014-2956 JRNL PMID 10504391 JRNL DOI 10.1046/J.1432-1327.1999.00742.X REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 9.00 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) (%) : 96.2 REMARK 3 NUMBER OF REFLECTIONS : 23360 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.209 REMARK 3 FREE R VALUE : 0.246 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 23360 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 : 22 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.03 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 53 REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : 0.3230 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 : 2472 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 150 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 21.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.42700 REMARK 3 B22 (A**2) : 5.83900 REMARK 3 B33 (A**2) : -5.41200 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.76400 REMARK 3 B23 (A**2) : 0.00000 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) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.52 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL 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) : 1.457 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.086 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.310 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.082 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 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 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QUR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB009285. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-NOV-98 REMARK 200 TEMPERATURE (KELVIN) : 290 REMARK 200 PH : NULL 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 : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23412 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.980 REMARK 200 RESOLUTION RANGE LOW (A) : 9.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4 REMARK 200 DATA REDUNDANCY : 2.300 REMARK 200 R MERGE (I) : 0.12800 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 4.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.09 REMARK 200 COMPLETENESS FOR SHELL (%) : 82.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : 0.47600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 1.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM TRIS/HCL, 300-500 MM NACL, 22- REMARK 280 32% (W/V) PEG 8000, MACRO SEEDING, TEMPERATURE 280K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.66000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.20500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.66000 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 36.20500 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 300 REMARK: THE BIOLOGICAL ASSEMBLY OF ALPHA-THROMBIN CONSISTS OF THE REMARK 300 LARGE AND SMALL SUBUNIT, LINKED BY A DISULFID BRIDGE 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5570 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13690 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: L, H, I 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 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 VAL H 149C REMARK 475 GLY H 149D REMARK 475 ABU I 48 REMARK 475 GLY I 49 REMARK 475 GLY I 50 REMARK 475 GLY I 51 REMARK 475 GLY I 52 REMARK 475 ASN I 53 REMARK 475 GLY I 54 REMARK 475 PRO I 60 REMARK 475 GLU I 61 REMARK 475 GLU I 62 REMARK 475 ALC I 64 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 LYS L 10 NZ REMARK 480 ARG L 14D CG CD NE CZ NH1 NH2 REMARK 480 ILE L 14K O CG1 CG2 CD1 REMARK 480 ARG H 50 NH1 NH2 REMARK 480 ARG H 75 CD NE CZ NH1 NH2 REMARK 480 LYS H 81 NZ REMARK 480 LYS H 87 CE NZ REMARK 480 LYS H 107 CE NZ REMARK 480 GLN H 151 CG CD OE1 NE2 REMARK 480 LYS H 236 CD CE NZ REMARK 480 GLN H 239 CB CG CD OE1 NE2 REMARK 480 LYS H 240 CG CD CE NZ REMARK 480 ASP H 243 C O CG OD1 OD2 REMARK 480 PHE H 245 OXT REMARK 480 DGL I 65 N CA C CB CG CD OE1 REMARK 480 DGL I 65 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 NE ARG H 101 O HOH H 335 2.17 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 PHE L 7 -90.55 -130.26 REMARK 500 TYR H 60A 80.38 -153.96 REMARK 500 HIS H 71 -51.77 -127.27 REMARK 500 ASN H 78 -3.82 73.65 REMARK 500 ILE H 79 -61.82 -120.17 REMARK 500 GLU H 97A -53.17 -126.39 REMARK 500 ASN H 149B -15.84 56.93 REMARK 500 VAL H 149C 69.51 -100.30 REMARK 500 ASN H 205 19.55 59.43 REMARK 500 SER H 214 -71.93 -109.22 REMARK 500 ASP H 243 30.80 38.72 REMARK 500 GLN H 244 -11.30 -44.31 REMARK 500 ASN I 53 89.84 -154.06 REMARK 500 GLU I 62 3.71 -65.82 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 H 286 DISTANCE = 5.15 ANGSTROMS REMARK 525 HOH H 291 DISTANCE = 5.18 ANGSTROMS REMARK 525 HOH H 300 DISTANCE = 6.91 ANGSTROMS REMARK 525 HOH I 68 DISTANCE = 5.56 ANGSTROMS REMARK 525 HOH I 69 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH L 16 DISTANCE = 6.21 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN I OF BIVALENT INHIBITOR REMARK 800 (BZA-2 HIRULOG) DBREF 1QUR L 1B 14K UNP P00734 THRB_HUMAN 334 360 DBREF 1QUR H 16 245 UNP P00734 THRB_HUMAN 364 620 DBREF 1QUR I 47 65 PDB 1QUR 1QUR 1 19 SEQRES 1 L 27 ALA ASP CYS GLY LEU ARG PRO LEU PHE GLU LYS LYS SER SEQRES 2 L 27 LEU GLU ASP LYS THR GLU ARG GLU LEU LEU GLU SER TYR SEQRES 3 L 27 ILE SEQRES 1 H 257 ILE VAL GLU GLY SER ASP ALA GLU ILE GLY MET SER PRO SEQRES 2 H 257 TRP GLN VAL MET LEU PHE ARG LYS SER PRO GLN GLU LEU SEQRES 3 H 257 LEU CYS GLY ALA SER LEU ILE SER ASP ARG TRP VAL LEU SEQRES 4 H 257 THR ALA ALA HIS CYS LEU LEU TYR PRO PRO TRP ASP LYS SEQRES 5 H 257 ASN PHE THR GLU ASN ASP LEU LEU VAL ARG ILE GLY LYS SEQRES 6 H 257 HIS SER ARG THR ARG TYR GLU ARG ASN ILE GLU LYS ILE SEQRES 7 H 257 SER MET LEU GLU LYS ILE TYR ILE HIS PRO ARG TYR ASN SEQRES 8 H 257 TRP ARG GLU ASN LEU ASP ARG ASP ILE ALA LEU MET LYS SEQRES 9 H 257 LEU LYS LYS PRO VAL ALA PHE SER ASP TYR ILE HIS PRO SEQRES 10 H 257 VAL CYS LEU PRO ASP ARG GLU THR ALA ALA SER LEU LEU SEQRES 11 H 257 GLN ALA GLY TYR LYS GLY ARG VAL THR GLY TRP GLY ASN SEQRES 12 H 257 LEU LYS GLU THR TRP THR ALA ASN VAL GLY LYS GLY GLN SEQRES 13 H 257 PRO SER VAL LEU GLN VAL VAL ASN LEU PRO ILE VAL GLU SEQRES 14 H 257 ARG PRO VAL CYS LYS ASP SER THR ARG ILE ARG ILE THR SEQRES 15 H 257 ASP ASN MET PHE CYS ALA GLY TYR LYS PRO ASP GLU GLY SEQRES 16 H 257 LYS ARG GLY ASP ALA CYS GLU GLY ASP SER GLY GLY PRO SEQRES 17 H 257 PHE VAL MET LYS SER PRO PHE ASN ASN ARG TRP TYR GLN SEQRES 18 H 257 MET GLY ILE VAL SER TRP GLY GLU GLY CYS ASP ARG ASP SEQRES 19 H 257 GLY LYS TYR GLY PHE TYR THR HIS VAL PHE ARG LEU LYS SEQRES 20 H 257 LYS TRP ILE GLN LYS VAL ILE ASP GLN PHE SEQRES 1 I 19 00I ABU GLY GLY GLY GLY ASN GLY ASP TYR GLU PRO ILE SEQRES 2 I 19 PRO GLU GLU ALA ALC DGL MODRES 1QUR ALC I 64 ALA 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HET 00I I 47 41 HET ABU I 48 6 HET ALC I 64 11 HET DGL I 65 9 HETNAM 00I N-[(1R)-1-(4-CARBAMIMIDOYLBENZYL)-2-OXO-2-PIPERIDIN-1- HETNAM 2 00I YLETHYL]-N~2~-(NAPHTHALEN-2-YLSULFONYL)-L-ALPHA- HETNAM 3 00I GLUTAMINE HETNAM ABU GAMMA-AMINO-BUTANOIC ACID HETNAM ALC 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HETNAM DGL D-GLUTAMIC ACID HETSYN ABU GAMMA(AMINO)-BUTYRIC ACID FORMUL 3 00I C30 H35 N5 O6 S FORMUL 3 ABU C4 H9 N O2 FORMUL 3 ALC C9 H17 N O2 FORMUL 3 DGL C5 H9 N O4 FORMUL 4 HOH *150(H2 O) HELIX 1 1 PHE L 7 SER L 11 5 5 HELIX 2 2 THR L 14B TYR L 14J 1 9 HELIX 3 3 ALA H 55 CYS H 58 5 4 HELIX 4 4 PRO H 60B ASP H 60E 5 4 HELIX 5 5 THR H 60I ASN H 62 5 3 HELIX 6 6 ASP H 125 LEU H 130 1 9 HELIX 7 7 GLU H 164 ASP H 170 1 7 HELIX 8 8 LYS H 185 GLY H 186C 5 5 HELIX 9 9 LEU H 234 ASP H 243 1 10 SHEET 1 A 7 SER H 20 ASP H 21 0 SHEET 2 A 7 GLN H 156 PRO H 161 -1 N VAL H 157 O SER H 20 SHEET 3 A 7 LYS H 135 GLY H 140 -1 N GLY H 136 O LEU H 160 SHEET 4 A 7 PRO H 198 LYS H 202 -1 O PRO H 198 N THR H 139 SHEET 5 A 7 TRP H 207 TRP H 215 -1 N TYR H 208 O MET H 201 SHEET 6 A 7 GLY H 226 HIS H 230 -1 N PHE H 227 O TRP H 215 SHEET 7 A 7 MET H 180 ALA H 183 -1 O PHE H 181 N TYR H 228 SHEET 1 B 7 GLN H 30 ARG H 35 0 SHEET 2 B 7 GLU H 39 LEU H 46 -1 O GLU H 39 N ARG H 35 SHEET 3 B 7 GLN H 30 ARG H 35 -1 N VAL H 31 O ALA H 44 SHEET 4 B 7 LEU H 64 ILE H 68 -1 N LEU H 65 O PHE H 34 SHEET 5 B 7 LYS H 81 ILE H 90 -1 N LYS H 81 O ILE H 68 SHEET 6 B 7 ALA H 104 LEU H 108 -1 O LEU H 105 N TYR H 89 SHEET 7 B 7 TRP H 51 THR H 54 -1 N VAL H 52 O MET H 106 SHEET 1 C 2 LEU H 60 TYR H 60A 0 SHEET 2 C 2 LYS H 60F ASN H 60G-1 O LYS H 60F N TYR H 60A SSBOND 1 CYS L 1 CYS H 122 1555 1555 2.23 SSBOND 2 CYS H 42 CYS H 58 1555 1555 2.26 SSBOND 3 CYS H 168 CYS H 182 1555 1555 2.21 SSBOND 4 CYS H 191 CYS H 220 1555 1555 2.30 LINK CD ABU I 48 N GLY I 49 1555 1555 1.35 LINK C ALA I 63 N ALC I 64 1555 1555 1.33 LINK C ALC I 64 N DGL I 65 1555 1555 1.34 LINK CD 00I I 47 N ABU I 48 1555 1555 1.34 CISPEP 1 SER H 36A PRO H 37 0 0.09 SITE 1 AC1 27 PHE H 34 LEU H 40 HIS H 57 ARG H 73 SITE 2 AC1 27 THR H 74 ARG H 75 TYR H 76 ILE H 82 SITE 3 AC1 27 MET H 84 ASN H 98 LEU H 99 ILE H 174 SITE 4 AC1 27 ASP H 189 ALA H 190 GLU H 192 SER H 195 SITE 5 AC1 27 TRP H 215 GLY H 216 GLY H 219 CYS H 220 SITE 6 AC1 27 GLY H 226 HOH H 248 HOH H 329 HOH I 66 SITE 7 AC1 27 HOH I 67 HOH I 71 HOH I 72 CRYST1 71.320 72.410 72.330 90.00 100.27 90.00 C 1 2 1 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 0.014021 0.000000 0.002541 0.00000 SCALE2 0.000000 0.013810 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014051 0.00000 ATOM 1 N ALA L 1B 14.644 17.922 20.197 1.00 40.84 N ATOM 2 CA ALA L 1B 14.175 19.345 20.123 1.00 40.44 C ATOM 3 C ALA L 1B 12.653 19.338 20.066 1.00 39.10 C ATOM 4 O ALA L 1B 11.960 19.861 20.939 1.00 38.30 O ATOM 5 CB ALA L 1B 14.735 20.000 18.879 1.00 40.99 C ATOM 6 N ASP L 1A 12.145 18.734 19.004 1.00 36.95 N ATOM 7 CA ASP L 1A 10.723 18.587 18.806 1.00 33.47 C ATOM 8 C ASP L 1A 10.429 17.089 19.048 1.00 29.57 C ATOM 9 O ASP L 1A 9.326 16.589 18.783 1.00 27.54 O ATOM 10 CB ASP L 1A 10.399 18.949 17.368 1.00 38.16 C ATOM 11 CG ASP L 1A 8.938 18.976 17.112 1.00 40.62 C ATOM 12 OD1 ASP L 1A 8.540 18.688 15.961 1.00 44.94 O ATOM 13 OD2 ASP L 1A 8.195 19.295 18.066 1.00 42.15 O ATOM 14 N CYS L 1 11.430 16.382 19.559 1.00 22.72 N ATOM 15 CA CYS L 1 11.301 14.950 19.786 1.00 20.97 C ATOM 16 C CYS L 1 10.144 14.512 20.674 1.00 18.48 C ATOM 17 O CYS L 1 9.691 15.248 21.544 1.00 18.15 O ATOM 18 CB CYS L 1 12.621 14.383 20.348 1.00 19.10 C ATOM 19 SG CYS L 1 13.066 14.938 22.015 1.00 19.93 S ATOM 20 N GLY L 2 9.661 13.302 20.412 1.00 18.35 N ATOM 21 CA GLY L 2 8.615 12.693 21.212 1.00 17.71 C ATOM 22 C GLY L 2 7.214 13.233 21.154 1.00 18.26 C ATOM 23 O GLY L 2 6.347 12.745 21.881 1.00 17.56 O ATOM 24 N LEU L 3 6.981 14.236 20.312 1.00 18.08 N ATOM 25 CA LEU L 3 5.640 14.800 20.162 1.00 18.26 C ATOM 26 C LEU L 3 5.131 14.331 18.813 1.00 18.50 C ATOM 27 O LEU L 3 5.628 14.759 17.781 1.00 20.75 O ATOM 28 CB LEU L 3 5.709 16.329 20.215 1.00 20.28 C ATOM 29 CG LEU L 3 6.296 16.886 21.521 1.00 20.74 C ATOM 30 CD1 LEU L 3 6.503 18.400 21.389 1.00 24.31 C ATOM 31 CD2 LEU L 3 5.370 16.572 22.679 1.00 19.09 C ATOM 32 N ARG L 4 4.147 13.443 18.806 1.00 18.92 N ATOM 33 CA ARG L 4 3.641 12.911 17.549 1.00 18.46 C ATOM 34 C ARG L 4 2.736 13.847 16.767 1.00 19.74 C ATOM 35 O ARG L 4 1.785 14.402 17.309 1.00 19.15 O ATOM 36 CB ARG L 4 2.901 11.586 17.790 1.00 18.13 C ATOM 37 CG ARG L 4 3.782 10.526 18.486 1.00 18.15 C ATOM 38 CD ARG L 4 2.956 9.346 18.920 1.00 17.19 C ATOM 39 NE ARG L 4 1.986 9.738 19.949 1.00 15.47 N ATOM 40 CZ ARG L 4 1.132 8.892 20.516 1.00 15.17 C ATOM 41 NH1 ARG L 4 1.133 7.611 20.149 1.00 13.32 N ATOM 42 NH2 ARG L 4 0.304 9.316 21.460 1.00 11.46 N ATOM 43 N PRO L 5 3.006 14.001 15.456 1.00 19.33 N ATOM 44 CA PRO L 5 2.230 14.859 14.555 1.00 18.28 C ATOM 45 C PRO L 5 0.730 14.604 14.612 1.00 17.77 C ATOM 46 O PRO L 5 -0.058 15.532 14.645 1.00 19.51 O ATOM 47 CB PRO L 5 2.830 14.531 13.176 1.00 19.59 C ATOM 48 CG PRO L 5 4.280 14.365 13.503 1.00 19.93 C ATOM 49 CD PRO L 5 4.192 13.465 14.763 1.00 19.37 C ATOM 50 N LEU L 6 0.336 13.342 14.666 1.00 17.61 N ATOM 51 CA LEU L 6 -1.068 12.973 14.686 1.00 15.17 C ATOM 52 C LEU L 6 -1.659 12.818 16.073 1.00 16.06 C ATOM 53 O LEU L 6 -2.832 12.487 16.209 1.00 15.71 O ATOM 54 CB LEU L 6 -1.275 11.664 13.904 1.00 17.57 C ATOM 55 CG LEU L 6 -1.549 11.798 12.398 1.00 19.97 C ATOM 56 CD1 LEU L 6 -0.859 13.019 11.872 1.00 20.18 C ATOM 57 CD2 LEU L 6 -1.096 10.545 11.642 1.00 16.72 C ATOM 58 N PHE L 7 -0.868 13.046 17.109 1.00 15.17 N ATOM 59 CA PHE L 7 -1.420 12.901 18.447 1.00 17.01 C ATOM 60 C PHE L 7 -1.105 14.127 19.309 1.00 18.48 C ATOM 61 O PHE L 7 -1.871 15.103 19.265 1.00 18.65 O ATOM 62 CB PHE L 7 -0.933 11.571 19.067 1.00 19.21 C ATOM 63 CG PHE L 7 -1.501 10.345 18.375 1.00 17.93 C ATOM 64 CD1 PHE L 7 -0.847 9.761 17.292 1.00 18.62 C ATOM 65 CD2 PHE L 7 -2.751 9.857 18.726 1.00 18.21 C ATOM 66 CE1 PHE L 7 -1.451 8.702 16.557 1.00 17.14 C ATOM 67 CE2 PHE L 7 -3.355 8.815 18.011 1.00 19.68 C ATOM 68 CZ PHE L 7 -2.698 8.238 16.921 1.00 17.01 C ATOM 69 N GLU L 8 0.021 14.126 20.035 1.00 16.85 N ATOM 70 CA GLU L 8 0.370 15.263 20.897 1.00 17.89 C ATOM 71 C GLU L 8 0.241 16.611 20.214 1.00 19.48 C ATOM 72 O GLU L 8 -0.281 17.562 20.791 1.00 18.57 O ATOM 73 CB GLU L 8 1.792 15.130 21.469 1.00 15.92 C ATOM 74 CG GLU L 8 1.913 14.092 22.584 1.00 14.94 C ATOM 75 CD GLU L 8 1.886 12.651 22.069 1.00 16.62 C ATOM 76 OE1 GLU L 8 1.654 11.730 22.891 1.00 16.40 O ATOM 77 OE2 GLU L 8 2.103 12.444 20.846 1.00 16.93 O ATOM 78 N LYS L 9 0.718 16.698 18.981 1.00 19.89 N ATOM 79 CA LYS L 9 0.643 17.941 18.225 1.00 21.24 C ATOM 80 C LYS L 9 -0.792 18.434 18.014 1.00 19.73 C ATOM 81 O LYS L 9 -1.024 19.627 17.938 1.00 21.08 O ATOM 82 CB LYS L 9 1.303 17.758 16.859 1.00 24.75 C ATOM 83 CG LYS L 9 2.613 18.479 16.675 1.00 31.85 C ATOM 84 CD LYS L 9 3.666 17.995 17.659 1.00 34.69 C ATOM 85 CE LYS L 9 5.061 18.431 17.237 1.00 37.12 C ATOM 86 NZ LYS L 9 5.437 17.787 15.947 1.00 37.16 N ATOM 87 N LYS L 10 -1.736 17.507 17.912 1.00 20.13 N ATOM 88 CA LYS L 10 -3.152 17.813 17.690 1.00 22.52 C ATOM 89 C LYS L 10 -3.970 17.683 18.961 1.00 21.95 C ATOM 90 O LYS L 10 -5.188 17.855 18.933 1.00 22.77 O ATOM 91 CB LYS L 10 -3.767 16.829 16.689 1.00 23.56 C ATOM 92 CG LYS L 10 -3.415 17.021 15.242 1.00 27.01 C ATOM 93 CD LYS L 10 -4.130 15.948 14.417 1.00 28.71 C ATOM 94 CE LYS L 10 -3.961 16.176 12.913 1.00 32.98 C ATOM 95 NZ LYS L 10 -4.659 15.143 12.102 0.00 31.25 N ATOM 96 N SER L 11 -3.304 17.369 20.062 1.00 22.69 N ATOM 97 CA SER L 11 -3.957 17.157 21.342 1.00 23.08 C ATOM 98 C SER L 11 -4.981 16.033 21.286 1.00 24.32 C ATOM 99 O SER L 11 -6.084 16.158 21.814 1.00 22.69 O ATOM 100 CB SER L 11 -4.630 18.428 21.845 1.00 26.55 C ATOM 101 OG SER L 11 -5.133 18.200 23.150 1.00 31.09 O ATOM 102 N LEU L 12 -4.605 14.934 20.629 1.00 23.62 N ATOM 103 CA LEU L 12 -5.442 13.751 20.507 1.00 22.84 C ATOM 104 C LEU L 12 -4.693 12.616 21.199 1.00 23.47 C ATOM 105 O LEU L 12 -3.462 12.577 21.181 1.00 22.60 O ATOM 106 CB LEU L 12 -5.659 13.399 19.028 1.00 25.47 C ATOM 107 CG LEU L 12 -6.589 14.326 18.243 1.00 25.70 C ATOM 108 CD1 LEU L 12 -6.560 13.992 16.754 1.00 27.19 C ATOM 109 CD2 LEU L 12 -7.995 14.163 18.803 1.00 26.79 C ATOM 110 N GLU L 13 -5.422 11.697 21.809 1.00 23.10 N ATOM 111 CA GLU L 13 -4.784 10.585 22.506 1.00 25.00 C ATOM 112 C GLU L 13 -4.988 9.306 21.735 1.00 23.64 C ATOM 113 O GLU L 13 -6.000 9.175 21.059 1.00 25.12 O ATOM 114 CB GLU L 13 -5.396 10.396 23.891 1.00 25.04 C ATOM 115 CG GLU L 13 -5.131 11.522 24.843 1.00 31.63 C ATOM 116 CD GLU L 13 -5.651 11.218 26.227 1.00 35.22 C ATOM 117 OE1 GLU L 13 -5.443 12.049 27.128 1.00 38.15 O ATOM 118 OE2 GLU L 13 -6.270 10.142 26.411 1.00 37.56 O ATOM 119 N ASP L 14 -4.031 8.375 21.815 1.00 22.88 N ATOM 120 CA ASP L 14 -4.204 7.089 21.153 1.00 21.30 C ATOM 121 C ASP L 14 -5.004 6.232 22.119 1.00 22.43 C ATOM 122 O ASP L 14 -5.179 6.602 23.290 1.00 21.46 O ATOM 123 CB ASP L 14 -2.861 6.427 20.743 1.00 18.60 C ATOM 124 CG ASP L 14 -1.980 6.012 21.920 1.00 17.57 C ATOM 125 OD1 ASP L 14 -0.770 6.332 21.871 1.00 17.54 O ATOM 126 OD2 ASP L 14 -2.457 5.338 22.858 1.00 15.47 O ATOM 127 N LYS L 14A -5.509 5.116 21.609 1.00 24.30 N ATOM 128 CA LYS L 14A -6.360 4.192 22.347 1.00 27.32 C ATOM 129 C LYS L 14A -5.908 3.680 23.694 1.00 26.93 C ATOM 130 O LYS L 14A -6.745 3.399 24.547 1.00 26.73 O ATOM 131 CB LYS L 14A -6.676 2.967 21.491 1.00 30.57 C ATOM 132 CG LYS L 14A -7.451 3.254 20.213 1.00 37.48 C ATOM 133 CD LYS L 14A -7.713 1.935 19.451 1.00 40.04 C ATOM 134 CE LYS L 14A -8.425 2.160 18.111 1.00 42.17 C ATOM 135 NZ LYS L 14A -8.582 0.874 17.345 1.00 43.35 N ATOM 136 N THR L 14B -4.602 3.539 23.897 1.00 25.81 N ATOM 137 CA THR L 14B -4.137 2.990 25.159 1.00 24.09 C ATOM 138 C THR L 14B -3.107 3.772 25.948 1.00 23.28 C ATOM 139 O THR L 14B -2.604 3.252 26.947 1.00 26.64 O ATOM 140 CB THR L 14B -3.551 1.577 24.954 1.00 23.98 C ATOM 141 OG1 THR L 14B -2.346 1.674 24.179 1.00 19.81 O ATOM 142 CG2 THR L 14B -4.556 0.666 24.238 1.00 23.27 C ATOM 143 N GLU L 14C -2.772 4.996 25.557 1.00 20.93 N ATOM 144 CA GLU L 14C -1.753 5.708 26.320 1.00 20.46 C ATOM 145 C GLU L 14C -2.146 5.989 27.771 1.00 22.36 C ATOM 146 O GLU L 14C -1.282 6.105 28.647 1.00 20.74 O ATOM 147 CB GLU L 14C -1.340 6.998 25.614 1.00 19.74 C ATOM 148 CG GLU L 14C -2.410 8.069 25.514 1.00 18.64 C ATOM 149 CD GLU L 14C -1.888 9.297 24.806 1.00 17.75 C ATOM 150 OE1 GLU L 14C -1.953 9.349 23.562 1.00 18.51 O ATOM 151 OE2 GLU L 14C -1.387 10.208 25.493 1.00 20.42 O ATOM 152 N ARG L 14D -3.444 6.081 28.035 1.00 23.35 N ATOM 153 CA ARG L 14D -3.918 6.338 29.391 1.00 26.51 C ATOM 154 C ARG L 14D -3.490 5.213 30.333 1.00 25.18 C ATOM 155 O ARG L 14D -3.228 5.443 31.525 1.00 26.27 O ATOM 156 CB ARG L 14D -5.441 6.473 29.402 1.00 30.09 C ATOM 157 CG ARG L 14D -5.996 7.003 30.705 0.00 35.45 C ATOM 158 CD ARG L 14D -7.468 7.328 30.575 0.00 39.93 C ATOM 159 NE ARG L 14D -7.958 8.049 31.744 0.00 44.01 N ATOM 160 CZ ARG L 14D -9.197 8.509 31.874 0.00 46.03 C ATOM 161 NH1 ARG L 14D -9.548 9.155 32.975 0.00 47.36 N ATOM 162 NH2 ARG L 14D -10.083 8.321 30.905 0.00 47.35 N ATOM 163 N GLU L 14E -3.432 3.998 29.795 1.00 23.92 N ATOM 164 CA GLU L 14E -3.012 2.835 30.571 1.00 23.32 C ATOM 165 C GLU L 14E -1.600 3.092 31.109 1.00 21.89 C ATOM 166 O GLU L 14E -1.285 2.716 32.234 1.00 21.37 O ATOM 167 CB GLU L 14E -3.043 1.564 29.700 1.00 24.45 C ATOM 168 CG GLU L 14E -2.795 0.280 30.466 1.00 29.36 C ATOM 169 CD GLU L 14E -2.571 -0.941 29.571 1.00 32.77 C ATOM 170 OE1 GLU L 14E -2.256 -2.025 30.124 1.00 32.50 O ATOM 171 OE2 GLU L 14E -2.705 -0.822 28.327 1.00 34.02 O ATOM 172 N LEU L 14F -0.760 3.778 30.335 1.00 19.53 N ATOM 173 CA LEU L 14F 0.590 4.067 30.803 1.00 19.77 C ATOM 174 C LEU L 14F 0.572 5.120 31.905 1.00 21.66 C ATOM 175 O LEU L 14F 1.172 4.935 32.975 1.00 19.68 O ATOM 176 CB LEU L 14F 1.488 4.574 29.669 1.00 19.37 C ATOM 177 CG LEU L 14F 1.614 3.688 28.424 1.00 21.44 C ATOM 178 CD1 LEU L 14F 2.547 4.337 27.435 1.00 18.32 C ATOM 179 CD2 LEU L 14F 2.134 2.323 28.815 1.00 21.18 C ATOM 180 N LEU L 14G -0.112 6.230 31.640 1.00 22.14 N ATOM 181 CA LEU L 14G -0.165 7.309 32.602 1.00 24.33 C ATOM 182 C LEU L 14G -0.789 6.860 33.935 1.00 25.05 C ATOM 183 O LEU L 14G -0.324 7.246 34.999 1.00 23.76 O ATOM 184 CB LEU L 14G -0.916 8.505 31.999 1.00 27.38 C ATOM 185 CG LEU L 14G -0.241 9.389 30.909 1.00 32.46 C ATOM 186 CD1 LEU L 14G 1.112 9.888 31.395 1.00 33.05 C ATOM 187 CD2 LEU L 14G -0.024 8.616 29.606 1.00 35.31 C ATOM 188 N GLU L 14H -1.820 6.026 33.881 1.00 26.16 N ATOM 189 CA GLU L 14H -2.459 5.568 35.112 1.00 29.05 C ATOM 190 C GLU L 14H -1.515 4.715 35.964 1.00 29.64 C ATOM 191 O GLU L 14H -1.720 4.574 37.167 1.00 28.30 O ATOM 192 CB GLU L 14H -3.723 4.775 34.793 1.00 29.93 C ATOM 193 CG GLU L 14H -4.809 5.599 34.157 1.00 35.75 C ATOM 194 CD GLU L 14H -5.969 4.758 33.670 1.00 37.62 C ATOM 195 OE1 GLU L 14H -6.988 5.356 33.278 1.00 39.88 O ATOM 196 OE2 GLU L 14H -5.864 3.506 33.674 1.00 40.65 O ATOM 197 N SER L 14I -0.476 4.156 35.345 1.00 29.57 N ATOM 198 CA SER L 14I 0.476 3.335 36.085 1.00 28.87 C ATOM 199 C SER L 14I 1.606 4.156 36.694 1.00 29.70 C ATOM 200 O SER L 14I 2.335 3.662 37.552 1.00 28.99 O ATOM 201 CB SER L 14I 1.077 2.252 35.185 1.00 27.73 C ATOM 202 OG SER L 14I 2.027 2.807 34.290 1.00 26.02 O ATOM 203 N TYR L 14J 1.761 5.404 36.264 1.00 31.46 N ATOM 204 CA TYR L 14J 2.850 6.225 36.799 1.00 35.43 C ATOM 205 C TYR L 14J 2.530 6.777 38.169 1.00 39.08 C ATOM 206 O TYR L 14J 2.344 7.978 38.337 1.00 39.88 O ATOM 207 CB TYR L 14J 3.208 7.370 35.844 1.00 33.67 C ATOM 208 CG TYR L 14J 3.666 6.895 34.486 1.00 34.15 C ATOM 209 CD1 TYR L 14J 4.269 5.647 34.335 1.00 31.44 C ATOM 210 CD2 TYR L 14J 3.492 7.684 33.347 1.00 32.73 C ATOM 211 CE1 TYR L 14J 4.682 5.194 33.089 1.00 32.39 C ATOM 212 CE2 TYR L 14J 3.907 7.232 32.083 1.00 32.78 C ATOM 213 CZ TYR L 14J 4.498 5.986 31.964 1.00 31.78 C ATOM 214 OH TYR L 14J 4.891 5.511 30.721 1.00 30.58 O ATOM 215 N ILE L 14K 2.471 5.860 39.128 1.00 43.05 N ATOM 216 CA ILE L 14K 2.186 6.106 40.541 1.00 46.54 C ATOM 217 C ILE L 14K 1.189 5.039 40.978 1.00 47.60 C ATOM 218 O ILE L 14K 0.599 4.388 40.090 0.00 48.17 O ATOM 219 CB ILE L 14K 1.564 7.497 40.800 1.00 47.52 C ATOM 220 CG1 ILE L 14K 1.542 7.787 42.303 0.00 47.85 C ATOM 221 CG2 ILE L 14K 0.150 7.555 40.235 0.00 47.67 C ATOM 222 CD1 ILE L 14K 1.048 9.176 42.656 0.00 48.36 C ATOM 223 OXT ILE L 14K 1.007 4.870 42.198 1.00 50.45 O TER 224 ILE L 14K ATOM 225 N ILE H 16 5.220 -9.415 18.225 1.00 20.45 N ATOM 226 CA ILE H 16 4.510 -9.073 19.487 1.00 21.88 C ATOM 227 C ILE H 16 3.405 -10.090 19.782 1.00 24.64 C ATOM 228 O ILE H 16 2.549 -10.355 18.938 1.00 24.93 O ATOM 229 CB ILE H 16 3.844 -7.680 19.394 1.00 19.14 C ATOM 230 CG1 ILE H 16 4.866 -6.611 18.959 1.00 19.55 C ATOM 231 CG2 ILE H 16 3.210 -7.338 20.730 1.00 15.74 C ATOM 232 CD1 ILE H 16 5.935 -6.276 20.021 1.00 19.52 C ATOM 233 N VAL H 17 3.406 -10.649 20.984 1.00 26.34 N ATOM 234 CA VAL H 17 2.380 -11.626 21.337 1.00 28.47 C ATOM 235 C VAL H 17 1.352 -10.995 22.262 1.00 28.55 C ATOM 236 O VAL H 17 1.705 -10.312 23.223 1.00 28.55 O ATOM 237 CB VAL H 17 2.990 -12.859 22.052 1.00 30.60 C ATOM 238 CG1 VAL H 17 1.909 -13.923 22.277 1.00 29.02 C ATOM 239 CG2 VAL H 17 4.146 -13.423 21.225 1.00 30.70 C ATOM 240 N GLU H 18 0.078 -11.233 21.966 1.00 28.09 N ATOM 241 CA GLU H 18 -1.018 -10.690 22.756 1.00 29.98 C ATOM 242 C GLU H 18 -1.071 -9.177 22.667 1.00 29.31 C ATOM 243 O GLU H 18 -1.363 -8.514 23.647 1.00 28.71 O ATOM 244 CB GLU H 18 -0.892 -11.101 24.231 1.00 31.72 C ATOM 245 CG GLU H 18 -1.119 -12.583 24.496 1.00 36.66 C ATOM 246 CD GLU H 18 -2.530 -13.028 24.143 1.00 39.78 C ATOM 247 OE1 GLU H 18 -3.496 -12.396 24.633 1.00 40.81 O ATOM 248 OE2 GLU H 18 -2.667 -14.009 23.380 1.00 42.61 O ATOM 249 N GLY H 19 -0.772 -8.629 21.495 1.00 29.47 N ATOM 250 CA GLY H 19 -0.827 -7.190 21.345 1.00 29.13 C ATOM 251 C GLY H 19 -2.026 -6.790 20.505 1.00 29.18 C ATOM 252 O GLY H 19 -2.971 -7.556 20.353 1.00 30.18 O ATOM 253 N SER H 20 -2.002 -5.585 19.958 1.00 29.51 N ATOM 254 CA SER H 20 -3.111 -5.144 19.123 1.00 30.94 C ATOM 255 C SER H 20 -2.592 -4.330 17.955 1.00 28.43 C ATOM 256 O SER H 20 -1.435 -3.901 17.952 1.00 26.20 O ATOM 257 CB SER H 20 -4.100 -4.309 19.937 1.00 32.18 C ATOM 258 OG SER H 20 -3.522 -3.067 20.290 1.00 37.14 O ATOM 259 N ASP H 21 -3.450 -4.137 16.960 1.00 26.09 N ATOM 260 CA ASP H 21 -3.096 -3.352 15.789 1.00 26.64 C ATOM 261 C ASP H 21 -2.745 -1.962 16.270 1.00 25.83 C ATOM 262 O ASP H 21 -3.397 -1.438 17.164 1.00 25.65 O ATOM 263 CB ASP H 21 -4.284 -3.256 14.830 1.00 29.27 C ATOM 264 CG ASP H 21 -4.373 -4.437 13.883 1.00 31.49 C ATOM 265 OD1 ASP H 21 -3.713 -5.467 14.147 1.00 31.74 O ATOM 266 OD2 ASP H 21 -5.103 -4.327 12.870 1.00 33.20 O ATOM 267 N ALA H 22 -1.704 -1.373 15.700 1.00 24.38 N ATOM 268 CA ALA H 22 -1.312 -0.031 16.073 1.00 23.87 C ATOM 269 C ALA H 22 -2.172 0.937 15.285 1.00 23.98 C ATOM 270 O ALA H 22 -2.676 0.591 14.222 1.00 24.14 O ATOM 271 CB ALA H 22 0.140 0.196 15.728 1.00 23.32 C ATOM 272 N GLU H 23 -2.329 2.153 15.798 1.00 23.92 N ATOM 273 CA GLU H 23 -3.089 3.180 15.088 1.00 24.16 C ATOM 274 C GLU H 23 -2.128 3.863 14.121 1.00 23.69 C ATOM 275 O GLU H 23 -0.923 3.856 14.342 1.00 24.05 O ATOM 276 CB GLU H 23 -3.635 4.220 16.071 1.00 23.81 C ATOM 277 CG GLU H 23 -4.639 3.666 17.047 1.00 26.35 C ATOM 278 CD GLU H 23 -5.112 4.707 18.049 1.00 29.18 C ATOM 279 OE1 GLU H 23 -5.667 5.729 17.618 1.00 30.27 O ATOM 280 OE2 GLU H 23 -4.930 4.504 19.265 1.00 30.32 O ATOM 281 N ILE H 24 -2.650 4.460 13.058 1.00 23.05 N ATOM 282 CA ILE H 24 -1.788 5.142 12.101 1.00 23.40 C ATOM 283 C ILE H 24 -1.045 6.309 12.770 1.00 22.21 C ATOM 284 O ILE H 24 -1.667 7.176 13.385 1.00 21.71 O ATOM 285 CB ILE H 24 -2.605 5.706 10.895 1.00 24.38 C ATOM 286 CG1 ILE H 24 -2.940 4.596 9.898 1.00 29.13 C ATOM 287 CG2 ILE H 24 -1.775 6.719 10.129 1.00 23.55 C ATOM 288 CD1 ILE H 24 -3.664 3.437 10.487 1.00 33.88 C ATOM 289 N GLY H 25 0.283 6.314 12.637 1.00 20.97 N ATOM 290 CA GLY H 25 1.119 7.369 13.198 1.00 18.84 C ATOM 291 C GLY H 25 1.328 7.293 14.704 1.00 16.54 C ATOM 292 O GLY H 25 1.833 8.234 15.315 1.00 17.01 O ATOM 293 N MET H 26 0.927 6.176 15.299 1.00 16.13 N ATOM 294 CA MET H 26 1.058 5.967 16.741 1.00 17.94 C ATOM 295 C MET H 26 2.516 5.815 17.173 1.00 17.07 C ATOM 296 O MET H 26 2.865 6.113 18.307 1.00 14.37 O ATOM 297 CB MET H 26 0.280 4.718 17.148 1.00 19.98 C ATOM 298 CG MET H 26 0.436 4.292 18.599 1.00 26.07 C ATOM 299 SD MET H 26 -0.522 2.790 18.855 1.00 28.61 S ATOM 300 CE MET H 26 -0.947 2.845 20.601 1.00 31.13 C ATOM 301 N SER H 27 3.364 5.366 16.259 1.00 16.88 N ATOM 302 CA SER H 27 4.775 5.155 16.590 1.00 18.88 C ATOM 303 C SER H 27 5.619 5.572 15.385 1.00 17.32 C ATOM 304 O SER H 27 6.252 4.734 14.735 1.00 18.93 O ATOM 305 CB SER H 27 4.953 3.660 16.925 1.00 21.08 C ATOM 306 OG SER H 27 6.220 3.403 17.477 1.00 21.16 O ATOM 307 N PRO H 28 5.678 6.889 15.108 1.00 16.74 N ATOM 308 CA PRO H 28 6.418 7.464 13.979 1.00 16.59 C ATOM 309 C PRO H 28 7.935 7.339 14.009 1.00 16.77 C ATOM 310 O PRO H 28 8.595 7.655 13.017 1.00 15.04 O ATOM 311 CB PRO H 28 5.929 8.914 13.958 1.00 16.04 C ATOM 312 CG PRO H 28 5.834 9.215 15.455 1.00 13.56 C ATOM 313 CD PRO H 28 5.144 7.959 15.983 1.00 13.27 C ATOM 314 N TRP H 29 8.491 6.874 15.133 1.00 14.32 N ATOM 315 CA TRP H 29 9.938 6.657 15.228 1.00 13.24 C ATOM 316 C TRP H 29 10.286 5.200 14.884 1.00 13.21 C ATOM 317 O TRP H 29 11.453 4.831 14.851 1.00 13.51 O ATOM 318 CB TRP H 29 10.433 6.956 16.653 1.00 10.65 C ATOM 319 CG TRP H 29 9.429 6.576 17.685 1.00 13.40 C ATOM 320 CD1 TRP H 29 9.134 5.321 18.142 1.00 14.19 C ATOM 321 CD2 TRP H 29 8.528 7.474 18.355 1.00 14.27 C ATOM 322 NE1 TRP H 29 8.098 5.388 19.062 1.00 16.17 N ATOM 323 CE2 TRP H 29 7.712 6.697 19.205 1.00 14.25 C ATOM 324 CE3 TRP H 29 8.337 8.860 18.312 1.00 12.85 C ATOM 325 CZ2 TRP H 29 6.711 7.265 20.011 1.00 16.64 C ATOM 326 CZ3 TRP H 29 7.334 9.427 19.121 1.00 16.67 C ATOM 327 CH2 TRP H 29 6.539 8.626 19.954 1.00 14.45 C ATOM 328 N GLN H 30 9.269 4.374 14.669 1.00 15.36 N ATOM 329 CA GLN H 30 9.474 2.952 14.368 1.00 16.44 C ATOM 330 C GLN H 30 10.140 2.785 13.018 1.00 20.13 C ATOM 331 O GLN H 30 9.678 3.325 11.997 1.00 16.99 O ATOM 332 CB GLN H 30 8.142 2.197 14.349 1.00 16.76 C ATOM 333 CG GLN H 30 8.254 0.670 14.115 1.00 18.10 C ATOM 334 CD GLN H 30 8.824 -0.089 15.313 1.00 23.00 C ATOM 335 OE1 GLN H 30 8.486 0.187 16.461 1.00 21.09 O ATOM 336 NE2 GLN H 30 9.688 -1.066 15.037 1.00 24.95 N ATOM 337 N VAL H 31 11.220 2.016 13.027 1.00 20.03 N ATOM 338 CA VAL H 31 11.996 1.741 11.834 1.00 19.58 C ATOM 339 C VAL H 31 12.036 0.224 11.600 1.00 20.98 C ATOM 340 O VAL H 31 12.055 -0.581 12.555 1.00 16.95 O ATOM 341 CB VAL H 31 13.442 2.265 12.012 1.00 21.39 C ATOM 342 CG1 VAL H 31 14.336 1.845 10.805 1.00 21.75 C ATOM 343 CG2 VAL H 31 13.426 3.781 12.184 1.00 20.01 C ATOM 344 N MET H 32 12.038 -0.161 10.327 1.00 19.76 N ATOM 345 CA MET H 32 12.129 -1.570 9.960 1.00 21.64 C ATOM 346 C MET H 32 13.512 -1.762 9.337 1.00 22.49 C ATOM 347 O MET H 32 13.888 -1.028 8.425 1.00 20.93 O ATOM 348 CB MET H 32 11.054 -1.942 8.929 1.00 21.16 C ATOM 349 CG MET H 32 11.140 -3.375 8.445 1.00 24.13 C ATOM 350 SD MET H 32 9.954 -3.798 7.098 1.00 27.16 S ATOM 351 CE MET H 32 8.406 -3.961 8.024 1.00 24.70 C ATOM 352 N LEU H 33 14.274 -2.725 9.849 1.00 23.89 N ATOM 353 CA LEU H 33 15.605 -3.027 9.309 1.00 26.60 C ATOM 354 C LEU H 33 15.310 -4.129 8.295 1.00 26.35 C ATOM 355 O LEU H 33 14.830 -5.189 8.670 1.00 25.22 O ATOM 356 CB LEU H 33 16.530 -3.544 10.421 1.00 30.62 C ATOM 357 CG LEU H 33 18.045 -3.471 10.173 1.00 35.95 C ATOM 358 CD1 LEU H 33 18.493 -2.004 10.104 1.00 38.15 C ATOM 359 CD2 LEU H 33 18.786 -4.167 11.311 1.00 36.92 C ATOM 360 N PHE H 34 15.611 -3.868 7.025 1.00 28.89 N ATOM 361 CA PHE H 34 15.291 -4.784 5.918 1.00 30.59 C ATOM 362 C PHE H 34 16.515 -5.268 5.123 1.00 31.93 C ATOM 363 O PHE H 34 17.310 -4.467 4.643 1.00 31.76 O ATOM 364 CB PHE H 34 14.338 -4.038 4.980 1.00 30.64 C ATOM 365 CG PHE H 34 13.518 -4.921 4.087 1.00 31.39 C ATOM 366 CD1 PHE H 34 12.502 -5.708 4.610 1.00 30.55 C ATOM 367 CD2 PHE H 34 13.729 -4.919 2.704 1.00 32.46 C ATOM 368 CE1 PHE H 34 11.705 -6.476 3.780 1.00 32.47 C ATOM 369 CE2 PHE H 34 12.931 -5.690 1.860 1.00 32.29 C ATOM 370 CZ PHE H 34 11.917 -6.469 2.399 1.00 31.08 C ATOM 371 N ARG H 35 16.645 -6.581 4.971 1.00 34.27 N ATOM 372 CA ARG H 35 17.765 -7.180 4.237 1.00 37.78 C ATOM 373 C ARG H 35 17.554 -7.011 2.730 1.00 38.64 C ATOM 374 O ARG H 35 16.496 -7.362 2.206 1.00 38.10 O ATOM 375 CB ARG H 35 17.862 -8.672 4.571 1.00 39.23 C ATOM 376 CG ARG H 35 18.998 -9.397 3.882 1.00 42.65 C ATOM 377 CD ARG H 35 18.624 -10.858 3.629 1.00 45.65 C ATOM 378 NE ARG H 35 19.322 -11.797 4.502 1.00 47.95 N ATOM 379 CZ ARG H 35 20.644 -11.938 4.541 1.00 48.07 C ATOM 380 NH1 ARG H 35 21.417 -11.193 3.760 1.00 47.53 N ATOM 381 NH2 ARG H 35 21.189 -12.842 5.344 1.00 48.17 N ATOM 382 N LYS H 36 18.555 -6.475 2.040 1.00 40.40 N ATOM 383 CA LYS H 36 18.453 -6.276 0.592 1.00 42.72 C ATOM 384 C LYS H 36 18.130 -7.545 -0.196 1.00 43.44 C ATOM 385 O LYS H 36 17.255 -7.535 -1.066 1.00 44.03 O ATOM 386 CB LYS H 36 19.742 -5.687 0.028 1.00 42.64 C ATOM 387 CG LYS H 36 19.930 -4.190 0.232 1.00 43.24 C ATOM 388 CD LYS H 36 21.182 -3.739 -0.523 1.00 43.65 C ATOM 389 CE LYS H 36 21.575 -2.316 -0.198 1.00 45.26 C ATOM 390 NZ LYS H 36 22.883 -1.961 -0.810 1.00 43.85 N ATOM 391 N SER H 36A 18.832 -8.635 0.097 1.00 43.74 N ATOM 392 CA SER H 36A 18.591 -9.879 -0.633 1.00 45.01 C ATOM 393 C SER H 36A 19.163 -11.108 0.069 1.00 44.09 C ATOM 394 O SER H 36A 20.362 -11.175 0.330 1.00 44.15 O ATOM 395 CB SER H 36A 19.185 -9.775 -2.042 1.00 45.42 C ATOM 396 OG SER H 36A 18.952 -10.970 -2.772 1.00 49.15 O ATOM 397 N PRO H 37 18.311 -12.106 0.368 1.00 43.02 N ATOM 398 CA PRO H 37 16.871 -12.147 0.089 1.00 43.04 C ATOM 399 C PRO H 37 16.076 -11.117 0.886 1.00 43.07 C ATOM 400 O PRO H 37 16.318 -10.912 2.078 1.00 43.14 O ATOM 401 CB PRO H 37 16.493 -13.574 0.466 1.00 42.22 C ATOM 402 CG PRO H 37 17.379 -13.829 1.628 1.00 42.79 C ATOM 403 CD PRO H 37 18.712 -13.289 1.148 1.00 43.55 C ATOM 404 N GLN H 38 15.119 -10.478 0.224 1.00 43.30 N ATOM 405 CA GLN H 38 14.294 -9.475 0.871 1.00 42.85 C ATOM 406 C GLN H 38 13.609 -10.083 2.079 1.00 42.22 C ATOM 407 O GLN H 38 12.746 -10.947 1.939 1.00 42.47 O ATOM 408 CB GLN H 38 13.254 -8.933 -0.110 1.00 44.67 C ATOM 409 CG GLN H 38 13.815 -7.917 -1.105 1.00 47.79 C ATOM 410 CD GLN H 38 12.724 -7.092 -1.772 1.00 49.46 C ATOM 411 OE1 GLN H 38 13.003 -6.111 -2.467 1.00 51.10 O ATOM 412 NE2 GLN H 38 11.472 -7.484 -1.558 1.00 51.08 N ATOM 413 N GLU H 39 14.011 -9.644 3.270 1.00 40.34 N ATOM 414 CA GLU H 39 13.424 -10.158 4.499 1.00 38.26 C ATOM 415 C GLU H 39 13.539 -9.163 5.661 1.00 36.23 C ATOM 416 O GLU H 39 14.446 -8.333 5.707 1.00 34.21 O ATOM 417 CB GLU H 39 14.099 -11.473 4.888 1.00 39.71 C ATOM 418 CG GLU H 39 15.440 -11.302 5.568 1.00 43.57 C ATOM 419 CD GLU H 39 16.164 -12.616 5.769 1.00 46.17 C ATOM 420 OE1 GLU H 39 16.946 -13.009 4.879 1.00 48.46 O ATOM 421 OE2 GLU H 39 15.942 -13.262 6.813 1.00 47.88 O ATOM 422 N LEU H 40 12.604 -9.258 6.596 1.00 34.50 N ATOM 423 CA LEU H 40 12.605 -8.391 7.763 1.00 32.73 C ATOM 424 C LEU H 40 13.649 -8.918 8.729 1.00 31.57 C ATOM 425 O LEU H 40 13.622 -10.096 9.066 1.00 30.65 O ATOM 426 CB LEU H 40 11.246 -8.430 8.445 1.00 33.56 C ATOM 427 CG LEU H 40 11.244 -7.858 9.867 1.00 34.70 C ATOM 428 CD1 LEU H 40 11.471 -6.364 9.812 1.00 33.67 C ATOM 429 CD2 LEU H 40 9.925 -8.184 10.552 1.00 35.52 C ATOM 430 N LEU H 41 14.570 -8.062 9.168 1.00 30.06 N ATOM 431 CA LEU H 41 15.582 -8.504 10.126 1.00 28.77 C ATOM 432 C LEU H 41 15.259 -8.098 11.551 1.00 26.62 C ATOM 433 O LEU H 41 15.311 -8.917 12.463 1.00 27.95 O ATOM 434 CB LEU H 41 16.951 -7.927 9.810 1.00 31.18 C ATOM 435 CG LEU H 41 17.576 -8.208 8.466 1.00 35.35 C ATOM 436 CD1 LEU H 41 16.854 -7.357 7.459 1.00 36.15 C ATOM 437 CD2 LEU H 41 19.061 -7.858 8.494 1.00 37.10 C ATOM 438 N CYS H 42 14.911 -6.829 11.742 1.00 23.26 N ATOM 439 CA CYS H 42 14.652 -6.324 13.093 1.00 20.85 C ATOM 440 C CYS H 42 13.939 -4.987 13.066 1.00 19.38 C ATOM 441 O CYS H 42 13.755 -4.384 12.007 1.00 18.71 O ATOM 442 CB CYS H 42 15.970 -6.072 13.807 1.00 18.07 C ATOM 443 SG CYS H 42 16.841 -7.485 14.472 1.00 18.48 S ATOM 444 N GLY H 43 13.591 -4.528 14.267 1.00 16.23 N ATOM 445 CA GLY H 43 12.975 -3.228 14.433 1.00 14.50 C ATOM 446 C GLY H 43 14.115 -2.306 14.788 1.00 15.44 C ATOM 447 O GLY H 43 15.246 -2.758 15.024 1.00 16.46 O ATOM 448 N ALA H 44 13.837 -1.015 14.836 1.00 13.93 N ATOM 449 CA ALA H 44 14.847 -0.024 15.173 1.00 13.75 C ATOM 450 C ALA H 44 14.052 1.240 15.480 1.00 13.99 C ATOM 451 O ALA H 44 12.827 1.230 15.355 1.00 13.96 O ATOM 452 CB ALA H 44 15.792 0.201 13.984 1.00 11.82 C ATOM 453 N SER H 45 14.730 2.308 15.899 1.00 15.67 N ATOM 454 CA SER H 45 14.056 3.567 16.209 1.00 17.17 C ATOM 455 C SER H 45 14.802 4.772 15.633 1.00 15.96 C ATOM 456 O SER H 45 16.023 4.785 15.545 1.00 17.78 O ATOM 457 CB SER H 45 13.889 3.738 17.722 1.00 15.33 C ATOM 458 OG SER H 45 15.140 3.980 18.332 1.00 18.90 O ATOM 459 N LEU H 46 14.052 5.791 15.244 1.00 14.66 N ATOM 460 CA LEU H 46 14.631 6.986 14.648 1.00 17.28 C ATOM 461 C LEU H 46 14.860 8.003 15.759 1.00 17.74 C ATOM 462 O LEU H 46 13.901 8.401 16.401 1.00 17.70 O ATOM 463 CB LEU H 46 13.643 7.555 13.628 1.00 18.55 C ATOM 464 CG LEU H 46 13.991 8.175 12.269 1.00 23.68 C ATOM 465 CD1 LEU H 46 13.062 9.400 12.084 1.00 23.01 C ATOM 466 CD2 LEU H 46 15.437 8.553 12.144 1.00 22.25 C ATOM 467 N ILE H 47 16.110 8.407 16.006 1.00 17.76 N ATOM 468 CA ILE H 47 16.395 9.383 17.056 1.00 19.53 C ATOM 469 C ILE H 47 16.770 10.784 16.550 1.00 20.89 C ATOM 470 O ILE H 47 16.939 11.703 17.351 1.00 17.91 O ATOM 471 CB ILE H 47 17.494 8.903 18.027 1.00 20.66 C ATOM 472 CG1 ILE H 47 18.773 8.568 17.259 1.00 22.42 C ATOM 473 CG2 ILE H 47 16.990 7.693 18.814 1.00 19.82 C ATOM 474 CD1 ILE H 47 19.965 8.221 18.178 1.00 22.30 C ATOM 475 N SER H 48 16.934 10.930 15.236 1.00 20.04 N ATOM 476 CA SER H 48 17.195 12.245 14.633 1.00 22.64 C ATOM 477 C SER H 48 17.060 12.064 13.129 1.00 24.86 C ATOM 478 O SER H 48 16.743 10.966 12.665 1.00 24.90 O ATOM 479 CB SER H 48 18.582 12.795 14.972 1.00 23.93 C ATOM 480 OG SER H 48 19.590 12.185 14.183 1.00 28.19 O ATOM 481 N ASP H 49 17.311 13.118 12.357 1.00 26.67 N ATOM 482 CA ASP H 49 17.142 13.000 10.920 1.00 28.55 C ATOM 483 C ASP H 49 18.172 12.108 10.274 1.00 28.36 C ATOM 484 O ASP H 49 17.950 11.603 9.173 1.00 28.63 O ATOM 485 CB ASP H 49 17.134 14.386 10.259 1.00 31.69 C ATOM 486 CG ASP H 49 18.444 15.114 10.391 1.00 33.93 C ATOM 487 OD1 ASP H 49 19.293 14.725 11.220 1.00 36.27 O ATOM 488 OD2 ASP H 49 18.618 16.106 9.662 1.00 37.94 O ATOM 489 N ARG H 50 19.291 11.884 10.952 1.00 27.86 N ATOM 490 CA ARG H 50 20.312 11.030 10.354 1.00 29.03 C ATOM 491 C ARG H 50 20.777 9.817 11.174 1.00 27.86 C ATOM 492 O ARG H 50 21.695 9.113 10.747 1.00 26.90 O ATOM 493 CB ARG H 50 21.531 11.873 9.953 1.00 31.51 C ATOM 494 CG ARG H 50 22.294 11.258 8.785 1.00 37.07 C ATOM 495 CD ARG H 50 23.301 12.221 8.139 1.00 38.53 C ATOM 496 NE ARG H 50 24.071 11.540 7.096 1.00 40.10 N ATOM 497 CZ ARG H 50 25.081 12.091 6.424 1.00 40.26 C ATOM 498 NH1 ARG H 50 25.720 11.395 5.494 0.00 39.16 N ATOM 499 NH2 ARG H 50 25.450 13.338 6.682 0.00 39.16 N ATOM 500 N TRP H 51 20.143 9.563 12.324 1.00 25.46 N ATOM 501 CA TRP H 51 20.540 8.439 13.176 1.00 22.29 C ATOM 502 C TRP H 51 19.422 7.492 13.599 1.00 22.52 C ATOM 503 O TRP H 51 18.337 7.926 14.020 1.00 19.34 O ATOM 504 CB TRP H 51 21.238 8.949 14.441 1.00 23.97 C ATOM 505 CG TRP H 51 22.556 9.601 14.195 1.00 25.04 C ATOM 506 CD1 TRP H 51 22.792 10.938 14.043 1.00 25.37 C ATOM 507 CD2 TRP H 51 23.836 8.952 14.098 1.00 23.94 C ATOM 508 NE1 TRP H 51 24.141 11.159 13.866 1.00 26.05 N ATOM 509 CE2 TRP H 51 24.800 9.958 13.894 1.00 25.07 C ATOM 510 CE3 TRP H 51 24.257 7.616 14.162 1.00 25.52 C ATOM 511 CZ2 TRP H 51 26.168 9.673 13.755 1.00 26.32 C ATOM 512 CZ3 TRP H 51 25.618 7.329 14.021 1.00 26.01 C ATOM 513 CH2 TRP H 51 26.553 8.352 13.822 1.00 25.67 C ATOM 514 N VAL H 52 19.725 6.192 13.501 1.00 20.68 N ATOM 515 CA VAL H 52 18.825 5.104 13.860 1.00 20.52 C ATOM 516 C VAL H 52 19.467 4.254 14.973 1.00 20.06 C ATOM 517 O VAL H 52 20.663 3.946 14.931 1.00 21.19 O ATOM 518 CB VAL H 52 18.508 4.231 12.621 1.00 21.00 C ATOM 519 CG1 VAL H 52 17.708 2.990 13.014 1.00 20.40 C ATOM 520 CG2 VAL H 52 17.706 5.074 11.618 1.00 22.49 C ATOM 521 N LEU H 53 18.662 3.888 15.960 1.00 17.12 N ATOM 522 CA LEU H 53 19.118 3.105 17.116 1.00 16.15 C ATOM 523 C LEU H 53 18.538 1.694 17.047 1.00 14.52 C ATOM 524 O LEU H 53 17.356 1.525 16.773 1.00 13.66 O ATOM 525 CB LEU H 53 18.639 3.795 18.401 1.00 16.70 C ATOM 526 CG LEU H 53 19.096 3.307 19.773 1.00 18.17 C ATOM 527 CD1 LEU H 53 20.623 3.356 19.853 1.00 16.26 C ATOM 528 CD2 LEU H 53 18.485 4.214 20.830 1.00 18.65 C ATOM 529 N THR H 54 19.360 0.680 17.303 1.00 12.63 N ATOM 530 CA THR H 54 18.879 -0.687 17.257 1.00 13.91 C ATOM 531 C THR H 54 19.716 -1.570 18.184 1.00 14.30 C ATOM 532 O THR H 54 20.585 -1.080 18.894 1.00 15.56 O ATOM 533 CB THR H 54 18.931 -1.197 15.792 1.00 15.44 C ATOM 534 OG1 THR H 54 18.235 -2.436 15.684 1.00 11.52 O ATOM 535 CG2 THR H 54 20.365 -1.370 15.340 1.00 16.21 C ATOM 536 N ALA H 55 19.440 -2.863 18.212 1.00 15.68 N ATOM 537 CA ALA H 55 20.222 -3.780 19.054 1.00 15.71 C ATOM 538 C ALA H 55 21.438 -4.277 18.268 1.00 16.39 C ATOM 539 O ALA H 55 21.364 -4.492 17.045 1.00 15.98 O ATOM 540 CB ALA H 55 19.366 -4.946 19.474 1.00 12.60 C ATOM 541 N ALA H 56 22.567 -4.446 18.941 1.00 17.25 N ATOM 542 CA ALA H 56 23.758 -4.922 18.236 1.00 17.18 C ATOM 543 C ALA H 56 23.562 -6.350 17.715 1.00 18.21 C ATOM 544 O ALA H 56 24.115 -6.710 16.656 1.00 19.14 O ATOM 545 CB ALA H 56 24.979 -4.861 19.145 1.00 17.53 C ATOM 546 N HIS H 57 22.756 -7.155 18.407 1.00 15.03 N ATOM 547 CA HIS H 57 22.571 -8.527 17.955 1.00 16.98 C ATOM 548 C HIS H 57 21.868 -8.615 16.593 1.00 18.88 C ATOM 549 O HIS H 57 21.902 -9.658 15.936 1.00 16.84 O ATOM 550 CB HIS H 57 21.832 -9.389 18.998 1.00 13.03 C ATOM 551 CG HIS H 57 20.346 -9.181 19.050 1.00 17.59 C ATOM 552 ND1 HIS H 57 19.730 -8.437 20.034 1.00 17.17 N ATOM 553 CD2 HIS H 57 19.351 -9.644 18.255 1.00 16.89 C ATOM 554 CE1 HIS H 57 18.422 -8.456 19.846 1.00 19.80 C ATOM 555 NE2 HIS H 57 18.167 -9.182 18.773 1.00 19.18 N ATOM 556 N CYS H 58 21.231 -7.524 16.174 1.00 19.48 N ATOM 557 CA CYS H 58 20.556 -7.500 14.866 1.00 19.43 C ATOM 558 C CYS H 58 21.590 -7.479 13.748 1.00 20.82 C ATOM 559 O CYS H 58 21.308 -7.880 12.625 1.00 23.31 O ATOM 560 CB CYS H 58 19.711 -6.231 14.714 1.00 18.43 C ATOM 561 SG CYS H 58 18.273 -6.246 15.706 1.00 16.78 S ATOM 562 N LEU H 59 22.779 -6.984 14.058 1.00 21.27 N ATOM 563 CA LEU H 59 23.830 -6.863 13.060 1.00 23.14 C ATOM 564 C LEU H 59 24.991 -7.836 13.240 1.00 24.31 C ATOM 565 O LEU H 59 25.595 -8.285 12.259 1.00 23.40 O ATOM 566 CB LEU H 59 24.393 -5.439 13.088 1.00 23.80 C ATOM 567 CG LEU H 59 23.384 -4.280 13.005 1.00 24.19 C ATOM 568 CD1 LEU H 59 24.093 -2.968 13.161 1.00 25.62 C ATOM 569 CD2 LEU H 59 22.658 -4.339 11.666 1.00 24.81 C ATOM 570 N LEU H 60 25.297 -8.162 14.494 1.00 22.65 N ATOM 571 CA LEU H 60 26.427 -9.012 14.788 1.00 21.37 C ATOM 572 C LEU H 60 26.157 -10.043 15.859 1.00 22.82 C ATOM 573 O LEU H 60 25.838 -9.699 17.015 1.00 22.26 O ATOM 574 CB LEU H 60 27.615 -8.138 15.216 1.00 21.59 C ATOM 575 CG LEU H 60 28.943 -8.819 15.589 1.00 22.16 C ATOM 576 CD1 LEU H 60 29.606 -9.410 14.332 1.00 22.32 C ATOM 577 CD2 LEU H 60 29.883 -7.799 16.231 1.00 20.78 C ATOM 578 N TYR H 60A 26.269 -11.308 15.459 1.00 21.42 N ATOM 579 CA TYR H 60A 26.113 -12.435 16.365 1.00 22.09 C ATOM 580 C TYR H 60A 26.907 -13.627 15.809 1.00 22.43 C ATOM 581 O TYR H 60A 26.352 -14.545 15.179 1.00 20.91 O ATOM 582 CB TYR H 60A 24.655 -12.820 16.548 1.00 21.27 C ATOM 583 CG TYR H 60A 24.496 -13.764 17.709 1.00 20.84 C ATOM 584 CD1 TYR H 60A 24.958 -13.407 18.978 1.00 20.76 C ATOM 585 CD2 TYR H 60A 23.928 -15.025 17.541 1.00 20.11 C ATOM 586 CE1 TYR H 60A 24.860 -14.290 20.059 1.00 20.59 C ATOM 587 CE2 TYR H 60A 23.824 -15.914 18.613 1.00 21.92 C ATOM 588 CZ TYR H 60A 24.291 -15.538 19.866 1.00 22.06 C ATOM 589 OH TYR H 60A 24.162 -16.402 20.922 1.00 20.27 O ATOM 590 N PRO H 60B 28.230 -13.622 16.043 1.00 23.49 N ATOM 591 CA PRO H 60B 29.112 -14.694 15.561 1.00 24.84 C ATOM 592 C PRO H 60B 28.660 -16.135 15.717 1.00 25.60 C ATOM 593 O PRO H 60B 28.802 -16.922 14.789 1.00 29.76 O ATOM 594 CB PRO H 60B 30.427 -14.404 16.284 1.00 24.44 C ATOM 595 CG PRO H 60B 30.438 -12.906 16.322 1.00 22.15 C ATOM 596 CD PRO H 60B 29.011 -12.578 16.736 1.00 20.30 C ATOM 597 N PRO H 60C 28.087 -16.506 16.866 1.00 26.82 N ATOM 598 CA PRO H 60C 27.668 -17.896 17.010 1.00 28.05 C ATOM 599 C PRO H 60C 26.821 -18.453 15.879 1.00 31.07 C ATOM 600 O PRO H 60C 26.827 -19.665 15.645 1.00 32.75 O ATOM 601 CB PRO H 60C 26.933 -17.894 18.346 1.00 28.22 C ATOM 602 CG PRO H 60C 27.648 -16.844 19.106 1.00 25.65 C ATOM 603 CD PRO H 60C 27.780 -15.749 18.092 1.00 26.21 C ATOM 604 N TRP H 60D 26.085 -17.587 15.189 1.00 32.07 N ATOM 605 CA TRP H 60D 25.240 -18.010 14.072 1.00 33.45 C ATOM 606 C TRP H 60D 25.768 -17.386 12.789 1.00 33.91 C ATOM 607 O TRP H 60D 25.030 -17.221 11.819 1.00 34.60 O ATOM 608 CB TRP H 60D 23.795 -17.546 14.266 1.00 36.00 C ATOM 609 CG TRP H 60D 23.101 -18.087 15.475 1.00 38.58 C ATOM 610 CD1 TRP H 60D 23.568 -19.027 16.343 1.00 40.81 C ATOM 611 CD2 TRP H 60D 21.792 -17.732 15.933 1.00 40.72 C ATOM 612 NE1 TRP H 60D 22.630 -19.286 17.314 1.00 40.89 N ATOM 613 CE2 TRP H 60D 21.529 -18.504 17.086 1.00 41.54 C ATOM 614 CE3 TRP H 60D 20.814 -16.833 15.479 1.00 41.34 C ATOM 615 CZ2 TRP H 60D 20.325 -18.410 17.795 1.00 42.52 C ATOM 616 CZ3 TRP H 60D 19.615 -16.738 16.185 1.00 43.02 C ATOM 617 CH2 TRP H 60D 19.382 -17.524 17.330 1.00 43.77 C ATOM 618 N ASP H 60E 27.046 -17.034 12.791 1.00 33.52 N ATOM 619 CA ASP H 60E 27.666 -16.406 11.638 1.00 34.82 C ATOM 620 C ASP H 60E 26.901 -15.206 11.088 1.00 33.66 C ATOM 621 O ASP H 60E 26.862 -14.987 9.882 1.00 33.14 O ATOM 622 CB ASP H 60E 27.898 -17.419 10.520 1.00 36.77 C ATOM 623 CG ASP H 60E 29.123 -18.263 10.768 1.00 39.32 C ATOM 624 OD1 ASP H 60E 29.006 -19.255 11.515 1.00 41.29 O ATOM 625 OD2 ASP H 60E 30.204 -17.919 10.237 1.00 40.57 O ATOM 626 N LYS H 60F 26.285 -14.434 11.972 1.00 32.51 N ATOM 627 CA LYS H 60F 25.584 -13.250 11.515 1.00 32.18 C ATOM 628 C LYS H 60F 26.541 -12.091 11.683 1.00 31.37 C ATOM 629 O LYS H 60F 27.039 -11.855 12.778 1.00 31.12 O ATOM 630 CB LYS H 60F 24.319 -12.965 12.332 1.00 32.44 C ATOM 631 CG LYS H 60F 23.646 -11.662 11.875 1.00 34.24 C ATOM 632 CD LYS H 60F 22.586 -11.140 12.829 1.00 32.64 C ATOM 633 CE LYS H 60F 21.414 -12.063 12.956 1.00 31.93 C ATOM 634 NZ LYS H 60F 20.535 -11.566 14.046 1.00 34.53 N ATOM 635 N ASN H 60G 26.810 -11.386 10.593 1.00 31.01 N ATOM 636 CA ASN H 60G 27.688 -10.223 10.609 1.00 32.80 C ATOM 637 C ASN H 60G 27.358 -9.391 9.369 1.00 34.67 C ATOM 638 O ASN H 60G 27.942 -9.600 8.302 1.00 35.96 O ATOM 639 CB ASN H 60G 29.157 -10.650 10.588 1.00 33.94 C ATOM 640 CG ASN H 60G 30.105 -9.469 10.642 1.00 35.87 C ATOM 641 OD1 ASN H 60G 29.679 -8.331 10.836 1.00 36.72 O ATOM 642 ND2 ASN H 60G 31.404 -9.732 10.479 1.00 37.96 N ATOM 643 N PHE H 60H 26.416 -8.460 9.510 1.00 33.26 N ATOM 644 CA PHE H 60H 25.994 -7.617 8.394 1.00 33.59 C ATOM 645 C PHE H 60H 26.778 -6.314 8.288 1.00 34.62 C ATOM 646 O PHE H 60H 27.212 -5.761 9.298 1.00 34.01 O ATOM 647 CB PHE H 60H 24.502 -7.290 8.523 1.00 31.66 C ATOM 648 CG PHE H 60H 23.598 -8.473 8.339 1.00 30.58 C ATOM 649 CD1 PHE H 60H 23.513 -9.116 7.112 1.00 31.09 C ATOM 650 CD2 PHE H 60H 22.818 -8.937 9.392 1.00 31.87 C ATOM 651 CE1 PHE H 60H 22.664 -10.202 6.931 1.00 32.10 C ATOM 652 CE2 PHE H 60H 21.962 -10.026 9.231 1.00 31.69 C ATOM 653 CZ PHE H 60H 21.883 -10.663 7.992 1.00 33.54 C ATOM 654 N THR H 60I 26.971 -5.832 7.058 1.00 34.87 N ATOM 655 CA THR H 60I 27.676 -4.569 6.834 1.00 35.41 C ATOM 656 C THR H 60I 26.656 -3.564 6.301 1.00 34.17 C ATOM 657 O THR H 60I 25.520 -3.928 6.001 1.00 32.80 O ATOM 658 CB THR H 60I 28.821 -4.702 5.792 1.00 37.34 C ATOM 659 OG1 THR H 60I 28.270 -4.816 4.470 1.00 39.98 O ATOM 660 CG2 THR H 60I 29.672 -5.912 6.089 1.00 37.77 C ATOM 661 N GLU H 61 27.051 -2.308 6.172 1.00 34.41 N ATOM 662 CA GLU H 61 26.119 -1.315 5.684 1.00 36.53 C ATOM 663 C GLU H 61 25.518 -1.665 4.328 1.00 37.72 C ATOM 664 O GLU H 61 24.333 -1.415 4.096 1.00 38.25 O ATOM 665 CB GLU H 61 26.751 0.084 5.644 1.00 37.25 C ATOM 666 CG GLU H 61 28.263 0.175 5.629 1.00 40.31 C ATOM 667 CD GLU H 61 28.911 -0.402 6.867 1.00 40.75 C ATOM 668 OE1 GLU H 61 29.136 -1.622 6.880 1.00 43.13 O ATOM 669 OE2 GLU H 61 29.190 0.353 7.826 1.00 40.79 O ATOM 670 N ASN H 62 26.312 -2.261 3.442 1.00 37.46 N ATOM 671 CA ASN H 62 25.815 -2.630 2.117 1.00 37.65 C ATOM 672 C ASN H 62 24.779 -3.743 2.099 1.00 36.85 C ATOM 673 O ASN H 62 24.112 -3.936 1.087 1.00 36.88 O ATOM 674 CB ASN H 62 26.967 -3.047 1.200 1.00 40.31 C ATOM 675 CG ASN H 62 27.690 -1.861 0.597 1.00 43.14 C ATOM 676 OD1 ASN H 62 28.484 -1.192 1.262 1.00 46.31 O ATOM 677 ND2 ASN H 62 27.408 -1.583 -0.673 1.00 43.67 N ATOM 678 N ASP H 63 24.632 -4.468 3.205 1.00 35.60 N ATOM 679 CA ASP H 63 23.680 -5.580 3.272 1.00 34.64 C ATOM 680 C ASP H 63 22.224 -5.221 3.593 1.00 33.90 C ATOM 681 O ASP H 63 21.326 -6.048 3.418 1.00 32.17 O ATOM 682 CB ASP H 63 24.148 -6.611 4.314 1.00 38.09 C ATOM 683 CG ASP H 63 25.409 -7.364 3.897 1.00 41.81 C ATOM 684 OD1 ASP H 63 26.153 -7.792 4.808 1.00 42.47 O ATOM 685 OD2 ASP H 63 25.654 -7.544 2.677 1.00 43.08 O ATOM 686 N LEU H 64 21.967 -4.002 4.048 1.00 33.29 N ATOM 687 CA LEU H 64 20.597 -3.676 4.421 1.00 33.61 C ATOM 688 C LEU H 64 20.056 -2.302 4.074 1.00 32.33 C ATOM 689 O LEU H 64 20.790 -1.385 3.695 1.00 32.18 O ATOM 690 CB LEU H 64 20.420 -3.898 5.933 1.00 35.30 C ATOM 691 CG LEU H 64 21.584 -4.541 6.694 1.00 36.78 C ATOM 692 CD1 LEU H 64 22.450 -3.476 7.346 1.00 37.04 C ATOM 693 CD2 LEU H 64 21.030 -5.458 7.749 1.00 38.93 C ATOM 694 N LEU H 65 18.741 -2.186 4.219 1.00 30.92 N ATOM 695 CA LEU H 65 18.033 -0.946 3.965 1.00 30.78 C ATOM 696 C LEU H 65 17.205 -0.622 5.202 1.00 28.23 C ATOM 697 O LEU H 65 16.794 -1.518 5.932 1.00 26.45 O ATOM 698 CB LEU H 65 17.077 -1.091 2.773 1.00 32.51 C ATOM 699 CG LEU H 65 17.638 -1.357 1.374 1.00 34.75 C ATOM 700 CD1 LEU H 65 16.513 -1.279 0.353 1.00 32.07 C ATOM 701 CD2 LEU H 65 18.718 -0.314 1.057 1.00 36.63 C ATOM 702 N VAL H 66 16.971 0.662 5.426 1.00 27.12 N ATOM 703 CA VAL H 66 16.147 1.105 6.539 1.00 27.63 C ATOM 704 C VAL H 66 14.839 1.635 5.949 1.00 26.80 C ATOM 705 O VAL H 66 14.858 2.426 5.012 1.00 28.31 O ATOM 706 CB VAL H 66 16.876 2.187 7.342 1.00 28.36 C ATOM 707 CG1 VAL H 66 15.904 3.116 8.006 1.00 30.59 C ATOM 708 CG2 VAL H 66 17.731 1.520 8.380 1.00 31.54 C ATOM 709 N ARG H 67 13.713 1.154 6.466 1.00 24.16 N ATOM 710 CA ARG H 67 12.406 1.578 6.004 1.00 24.12 C ATOM 711 C ARG H 67 11.687 2.321 7.133 1.00 24.35 C ATOM 712 O ARG H 67 11.386 1.738 8.200 1.00 23.19 O ATOM 713 CB ARG H 67 11.613 0.359 5.541 1.00 24.53 C ATOM 714 CG ARG H 67 12.273 -0.339 4.351 1.00 24.76 C ATOM 715 CD ARG H 67 11.526 -1.581 3.913 1.00 27.53 C ATOM 716 NE ARG H 67 10.265 -1.287 3.235 1.00 27.59 N ATOM 717 CZ ARG H 67 9.509 -2.218 2.662 1.00 27.94 C ATOM 718 NH1 ARG H 67 9.899 -3.488 2.680 1.00 27.48 N ATOM 719 NH2 ARG H 67 8.353 -1.892 2.106 1.00 26.36 N ATOM 720 N ILE H 68 11.417 3.600 6.872 1.00 20.94 N ATOM 721 CA ILE H 68 10.796 4.506 7.832 1.00 22.03 C ATOM 722 C ILE H 68 9.395 4.997 7.449 1.00 22.99 C ATOM 723 O ILE H 68 9.131 5.288 6.280 1.00 23.72 O ATOM 724 CB ILE H 68 11.690 5.730 8.017 1.00 21.37 C ATOM 725 CG1 ILE H 68 13.157 5.285 7.974 1.00 22.29 C ATOM 726 CG2 ILE H 68 11.368 6.432 9.348 1.00 22.42 C ATOM 727 CD1 ILE H 68 14.159 6.422 8.071 1.00 21.74 C ATOM 728 N GLY H 69 8.507 5.083 8.441 1.00 20.56 N ATOM 729 CA GLY H 69 7.147 5.553 8.215 1.00 20.67 C ATOM 730 C GLY H 69 6.116 4.505 7.839 1.00 19.66 C ATOM 731 O GLY H 69 5.030 4.851 7.391 1.00 21.85 O ATOM 732 N LYS H 70 6.440 3.230 8.034 1.00 21.14 N ATOM 733 CA LYS H 70 5.555 2.118 7.677 1.00 20.11 C ATOM 734 C LYS H 70 4.538 1.690 8.713 1.00 22.37 C ATOM 735 O LYS H 70 4.716 1.863 9.937 1.00 20.81 O ATOM 736 CB LYS H 70 6.382 0.860 7.318 1.00 22.14 C ATOM 737 CG LYS H 70 7.394 1.042 6.193 1.00 23.27 C ATOM 738 CD LYS H 70 8.042 -0.286 5.745 1.00 23.49 C ATOM 739 CE LYS H 70 6.988 -1.355 5.432 1.00 25.76 C ATOM 740 NZ LYS H 70 5.912 -0.867 4.486 1.00 23.44 N ATOM 741 N HIS H 71 3.486 1.068 8.202 1.00 22.34 N ATOM 742 CA HIS H 71 2.413 0.546 9.019 1.00 24.49 C ATOM 743 C HIS H 71 2.241 -0.916 8.618 1.00 26.49 C ATOM 744 O HIS H 71 2.220 -1.816 9.468 1.00 26.30 O ATOM 745 CB HIS H 71 1.113 1.309 8.750 1.00 24.83 C ATOM 746 CG HIS H 71 -0.031 0.856 9.596 1.00 24.79 C ATOM 747 ND1 HIS H 71 -0.017 0.942 10.969 1.00 25.38 N ATOM 748 CD2 HIS H 71 -1.220 0.302 9.266 1.00 27.35 C ATOM 749 CE1 HIS H 71 -1.147 0.461 11.452 1.00 25.85 C ATOM 750 NE2 HIS H 71 -1.896 0.065 10.438 1.00 27.18 N ATOM 751 N SER H 72 2.101 -1.141 7.314 1.00 25.86 N ATOM 752 CA SER H 72 1.944 -2.499 6.788 1.00 29.34 C ATOM 753 C SER H 72 3.308 -3.177 6.787 1.00 28.82 C ATOM 754 O SER H 72 4.311 -2.539 6.505 1.00 28.73 O ATOM 755 CB SER H 72 1.414 -2.467 5.353 1.00 29.78 C ATOM 756 OG SER H 72 1.419 -3.777 4.804 1.00 33.08 O ATOM 757 N ARG H 73 3.347 -4.467 7.094 1.00 32.58 N ATOM 758 CA ARG H 73 4.627 -5.184 7.120 1.00 35.26 C ATOM 759 C ARG H 73 5.181 -5.564 5.755 1.00 35.74 C ATOM 760 O ARG H 73 6.376 -5.398 5.493 1.00 37.03 O ATOM 761 CB ARG H 73 4.516 -6.460 7.940 1.00 35.75 C ATOM 762 CG ARG H 73 5.837 -7.223 8.024 1.00 39.52 C ATOM 763 CD ARG H 73 5.604 -8.640 8.492 1.00 41.04 C ATOM 764 NE ARG H 73 5.195 -9.505 7.383 1.00 45.75 N ATOM 765 CZ ARG H 73 4.279 -10.456 7.493 1.00 45.80 C ATOM 766 NH1 ARG H 73 3.684 -10.646 8.657 1.00 48.11 N ATOM 767 NH2 ARG H 73 3.962 -11.214 6.454 1.00 45.61 N ATOM 768 N THR H 74 4.317 -6.072 4.884 1.00 36.35 N ATOM 769 CA THR H 74 4.749 -6.529 3.560 1.00 36.52 C ATOM 770 C THR H 74 4.658 -5.556 2.387 1.00 37.70 C ATOM 771 O THR H 74 5.509 -5.596 1.491 1.00 37.80 O ATOM 772 CB THR H 74 3.976 -7.777 3.163 1.00 36.05 C ATOM 773 OG1 THR H 74 2.578 -7.465 3.119 1.00 33.23 O ATOM 774 CG2 THR H 74 4.207 -8.880 4.181 1.00 36.97 C ATOM 775 N ARG H 75 3.642 -4.690 2.388 1.00 37.56 N ATOM 776 CA ARG H 75 3.433 -3.736 1.295 1.00 37.46 C ATOM 777 C ARG H 75 4.457 -2.621 1.187 1.00 36.89 C ATOM 778 O ARG H 75 5.119 -2.269 2.163 1.00 36.30 O ATOM 779 CB ARG H 75 2.081 -3.036 1.422 1.00 39.23 C ATOM 780 CG ARG H 75 0.928 -3.855 1.959 1.00 41.72 C ATOM 781 CD ARG H 75 -0.288 -2.946 2.089 0.00 42.11 C ATOM 782 NE ARG H 75 -1.416 -3.574 2.765 0.00 43.06 N ATOM 783 CZ ARG H 75 -2.590 -2.980 2.959 0.00 43.43 C ATOM 784 NH1 ARG H 75 -2.787 -1.741 2.529 0.00 43.72 N ATOM 785 NH2 ARG H 75 -3.568 -3.624 3.580 0.00 43.71 N ATOM 786 N TYR H 76 4.579 -2.062 -0.015 1.00 35.51 N ATOM 787 CA TYR H 76 5.454 -0.919 -0.225 1.00 35.17 C ATOM 788 C TYR H 76 4.472 0.240 -0.170 1.00 34.98 C ATOM 789 O TYR H 76 3.766 0.531 -1.144 1.00 34.66 O ATOM 790 CB TYR H 76 6.113 -0.930 -1.597 1.00 37.39 C ATOM 791 CG TYR H 76 6.731 0.404 -1.924 1.00 36.71 C ATOM 792 CD1 TYR H 76 7.818 0.883 -1.202 1.00 36.72 C ATOM 793 CD2 TYR H 76 6.181 1.225 -2.910 1.00 38.32 C ATOM 794 CE1 TYR H 76 8.342 2.144 -1.445 1.00 36.80 C ATOM 795 CE2 TYR H 76 6.696 2.492 -3.160 1.00 36.31 C ATOM 796 CZ TYR H 76 7.773 2.941 -2.424 1.00 36.90 C ATOM 797 OH TYR H 76 8.285 4.190 -2.666 1.00 38.00 O ATOM 798 N GLU H 77 4.431 0.896 0.978 1.00 32.66 N ATOM 799 CA GLU H 77 3.511 1.995 1.203 1.00 29.81 C ATOM 800 C GLU H 77 3.922 3.247 0.426 1.00 29.73 C ATOM 801 O GLU H 77 4.530 4.177 0.957 1.00 28.46 O ATOM 802 CB GLU H 77 3.415 2.192 2.717 1.00 28.19 C ATOM 803 CG GLU H 77 3.125 0.834 3.361 1.00 24.15 C ATOM 804 CD GLU H 77 2.989 0.841 4.887 1.00 25.41 C ATOM 805 OE1 GLU H 77 1.863 0.972 5.396 1.00 22.76 O ATOM 806 OE2 GLU H 77 4.014 0.693 5.575 1.00 24.59 O ATOM 807 N ARG H 77A 3.569 3.246 -0.861 1.00 28.09 N ATOM 808 CA ARG H 77A 3.899 4.346 -1.760 1.00 28.45 C ATOM 809 C ARG H 77A 3.405 5.686 -1.243 1.00 26.85 C ATOM 810 O ARG H 77A 2.285 5.783 -0.749 1.00 27.38 O ATOM 811 CB ARG H 77A 3.307 4.083 -3.155 1.00 29.91 C ATOM 812 CG ARG H 77A 3.723 5.114 -4.178 1.00 31.97 C ATOM 813 CD ARG H 77A 3.567 4.595 -5.614 1.00 35.53 C ATOM 814 NE ARG H 77A 2.195 4.685 -6.092 1.00 39.50 N ATOM 815 CZ ARG H 77A 1.235 3.833 -5.768 1.00 39.03 C ATOM 816 NH1 ARG H 77A 1.508 2.817 -4.969 1.00 40.78 N ATOM 817 NH2 ARG H 77A -0.002 4.017 -6.220 1.00 37.41 N ATOM 818 N ASN H 78 4.248 6.710 -1.363 1.00 26.29 N ATOM 819 CA ASN H 78 3.916 8.055 -0.902 1.00 26.69 C ATOM 820 C ASN H 78 3.941 8.216 0.641 1.00 28.17 C ATOM 821 O ASN H 78 3.736 9.322 1.163 1.00 28.69 O ATOM 822 CB ASN H 78 2.529 8.463 -1.415 1.00 27.17 C ATOM 823 CG ASN H 78 2.504 8.751 -2.918 1.00 27.81 C ATOM 824 OD1 ASN H 78 1.570 9.387 -3.413 1.00 28.96 O ATOM 825 ND2 ASN H 78 3.513 8.282 -3.643 1.00 23.44 N ATOM 826 N ILE H 79 4.175 7.135 1.374 1.00 27.02 N ATOM 827 CA ILE H 79 4.185 7.243 2.838 1.00 26.91 C ATOM 828 C ILE H 79 5.517 6.836 3.434 1.00 26.99 C ATOM 829 O ILE H 79 6.204 7.647 4.062 1.00 26.39 O ATOM 830 CB ILE H 79 3.062 6.385 3.465 1.00 26.07 C ATOM 831 CG1 ILE H 79 1.694 6.922 3.008 1.00 25.31 C ATOM 832 CG2 ILE H 79 3.165 6.402 5.010 1.00 23.81 C ATOM 833 CD1 ILE H 79 0.533 6.057 3.405 1.00 23.37 C ATOM 834 N GLU H 80 5.896 5.584 3.227 1.00 27.06 N ATOM 835 CA GLU H 80 7.161 5.124 3.779 1.00 28.47 C ATOM 836 C GLU H 80 8.333 5.699 3.015 1.00 29.91 C ATOM 837 O GLU H 80 8.207 6.092 1.843 1.00 29.51 O ATOM 838 CB GLU H 80 7.233 3.594 3.791 1.00 28.94 C ATOM 839 CG GLU H 80 7.506 2.910 2.451 1.00 29.18 C ATOM 840 CD GLU H 80 7.827 1.432 2.632 1.00 29.63 C ATOM 841 OE1 GLU H 80 6.890 0.607 2.607 1.00 29.34 O ATOM 842 OE2 GLU H 80 9.023 1.102 2.826 1.00 29.26 O ATOM 843 N LYS H 81 9.471 5.775 3.691 1.00 30.02 N ATOM 844 CA LYS H 81 10.690 6.295 3.093 1.00 31.57 C ATOM 845 C LYS H 81 11.791 5.235 3.268 1.00 33.00 C ATOM 846 O LYS H 81 11.828 4.515 4.274 1.00 32.02 O ATOM 847 CB LYS H 81 11.091 7.589 3.796 1.00 33.52 C ATOM 848 CG LYS H 81 11.933 8.513 2.950 1.00 39.11 C ATOM 849 CD LYS H 81 11.120 9.074 1.779 1.00 40.36 C ATOM 850 CE LYS H 81 10.008 9.980 2.289 1.00 42.43 C ATOM 851 NZ LYS H 81 9.238 10.603 1.178 0.00 40.29 N ATOM 852 N ILE H 82 12.685 5.131 2.295 1.00 32.98 N ATOM 853 CA ILE H 82 13.759 4.156 2.396 1.00 33.66 C ATOM 854 C ILE H 82 15.122 4.849 2.438 1.00 33.37 C ATOM 855 O ILE H 82 15.360 5.827 1.731 1.00 32.97 O ATOM 856 CB ILE H 82 13.680 3.154 1.227 1.00 34.98 C ATOM 857 CG1 ILE H 82 12.253 2.590 1.172 1.00 36.15 C ATOM 858 CG2 ILE H 82 14.698 2.019 1.426 1.00 36.01 C ATOM 859 CD1 ILE H 82 12.076 1.322 0.394 1.00 35.47 C ATOM 860 N SER H 83 16.010 4.359 3.293 1.00 32.83 N ATOM 861 CA SER H 83 17.336 4.944 3.412 1.00 32.39 C ATOM 862 C SER H 83 18.417 3.869 3.404 1.00 32.98 C ATOM 863 O SER H 83 18.191 2.723 3.809 1.00 31.02 O ATOM 864 CB SER H 83 17.466 5.740 4.707 1.00 34.17 C ATOM 865 OG SER H 83 16.429 6.675 4.853 1.00 35.72 O ATOM 866 N MET H 84 19.599 4.257 2.945 1.00 33.53 N ATOM 867 CA MET H 84 20.729 3.352 2.898 1.00 34.90 C ATOM 868 C MET H 84 21.633 3.766 4.025 1.00 33.77 C ATOM 869 O MET H 84 21.583 4.906 4.484 1.00 33.47 O ATOM 870 CB MET H 84 21.458 3.463 1.560 1.00 37.20 C ATOM 871 CG MET H 84 20.584 3.072 0.383 1.00 41.35 C ATOM 872 SD MET H 84 21.512 2.956 -1.148 1.00 48.04 S ATOM 873 CE MET H 84 22.294 4.577 -1.198 1.00 43.48 C ATOM 874 N LEU H 85 22.466 2.845 4.474 1.00 33.46 N ATOM 875 CA LEU H 85 23.358 3.138 5.576 1.00 33.32 C ATOM 876 C LEU H 85 24.693 3.662 5.124 1.00 34.53 C ATOM 877 O LEU H 85 25.274 3.169 4.159 1.00 34.63 O ATOM 878 CB LEU H 85 23.587 1.888 6.415 1.00 33.50 C ATOM 879 CG LEU H 85 22.338 1.141 6.850 1.00 34.07 C ATOM 880 CD1 LEU H 85 22.731 0.062 7.839 1.00 35.13 C ATOM 881 CD2 LEU H 85 21.356 2.117 7.469 1.00 34.30 C ATOM 882 N GLU H 86 25.169 4.678 5.825 1.00 34.80 N ATOM 883 CA GLU H 86 26.467 5.231 5.532 1.00 35.05 C ATOM 884 C GLU H 86 27.449 4.481 6.402 1.00 35.13 C ATOM 885 O GLU H 86 28.532 4.111 5.951 1.00 35.67 O ATOM 886 CB GLU H 86 26.545 6.698 5.898 1.00 36.09 C ATOM 887 CG GLU H 86 27.958 7.204 5.832 1.00 39.07 C ATOM 888 CD GLU H 86 28.041 8.674 6.065 1.00 40.89 C ATOM 889 OE1 GLU H 86 27.309 9.418 5.385 1.00 44.87 O ATOM 890 OE2 GLU H 86 28.839 9.090 6.923 1.00 44.62 O ATOM 891 N LYS H 87 27.063 4.256 7.658 1.00 32.87 N ATOM 892 CA LYS H 87 27.940 3.563 8.586 1.00 31.93 C ATOM 893 C LYS H 87 27.232 2.972 9.801 1.00 31.19 C ATOM 894 O LYS H 87 26.228 3.512 10.275 1.00 29.24 O ATOM 895 CB LYS H 87 29.044 4.511 9.047 1.00 32.44 C ATOM 896 CG LYS H 87 30.117 3.827 9.876 1.00 36.37 C ATOM 897 CD LYS H 87 31.361 4.704 9.988 1.00 38.74 C ATOM 898 CE LYS H 87 32.468 4.014 10.765 0.00 37.71 C ATOM 899 NZ LYS H 87 33.688 4.864 10.848 0.00 37.76 N ATOM 900 N ILE H 88 27.776 1.855 10.288 1.00 30.79 N ATOM 901 CA ILE H 88 27.256 1.139 11.452 1.00 29.66 C ATOM 902 C ILE H 88 28.257 1.231 12.609 1.00 30.50 C ATOM 903 O ILE H 88 29.469 1.182 12.392 1.00 30.95 O ATOM 904 CB ILE H 88 27.016 -0.350 11.106 1.00 31.05 C ATOM 905 CG1 ILE H 88 25.817 -0.475 10.158 1.00 31.16 C ATOM 906 CG2 ILE H 88 26.807 -1.160 12.376 1.00 30.73 C ATOM 907 CD1 ILE H 88 25.459 -1.905 9.780 1.00 33.23 C ATOM 908 N TYR H 89 27.755 1.398 13.830 1.00 28.33 N ATOM 909 CA TYR H 89 28.617 1.470 15.005 1.00 26.35 C ATOM 910 C TYR H 89 28.061 0.552 16.084 1.00 25.89 C ATOM 911 O TYR H 89 26.951 0.741 16.570 1.00 25.71 O ATOM 912 CB TYR H 89 28.699 2.883 15.565 1.00 28.39 C ATOM 913 CG TYR H 89 29.225 3.915 14.598 1.00 31.31 C ATOM 914 CD1 TYR H 89 28.385 4.480 13.642 1.00 32.32 C ATOM 915 CD2 TYR H 89 30.559 4.335 14.640 1.00 31.84 C ATOM 916 CE1 TYR H 89 28.848 5.435 12.754 1.00 34.58 C ATOM 917 CE2 TYR H 89 31.038 5.301 13.746 1.00 33.59 C ATOM 918 CZ TYR H 89 30.163 5.841 12.806 1.00 34.76 C ATOM 919 OH TYR H 89 30.576 6.792 11.905 1.00 38.46 O ATOM 920 N ILE H 90 28.836 -0.452 16.452 1.00 23.40 N ATOM 921 CA ILE H 90 28.413 -1.378 17.476 1.00 23.07 C ATOM 922 C ILE H 90 29.184 -1.056 18.748 1.00 21.44 C ATOM 923 O ILE H 90 30.344 -0.664 18.688 1.00 20.03 O ATOM 924 CB ILE H 90 28.661 -2.815 17.004 1.00 23.72 C ATOM 925 CG1 ILE H 90 27.841 -3.044 15.728 1.00 25.30 C ATOM 926 CG2 ILE H 90 28.309 -3.803 18.106 1.00 24.84 C ATOM 927 CD1 ILE H 90 27.819 -4.439 15.221 1.00 28.19 C ATOM 928 N HIS H 91 28.543 -1.196 19.902 1.00 20.87 N ATOM 929 CA HIS H 91 29.241 -0.890 21.144 1.00 21.19 C ATOM 930 C HIS H 91 30.481 -1.775 21.239 1.00 22.60 C ATOM 931 O HIS H 91 30.401 -2.991 21.089 1.00 20.62 O ATOM 932 CB HIS H 91 28.342 -1.121 22.352 1.00 20.99 C ATOM 933 CG HIS H 91 28.876 -0.519 23.616 1.00 21.07 C ATOM 934 ND1 HIS H 91 30.026 -0.966 24.226 1.00 20.32 N ATOM 935 CD2 HIS H 91 28.431 0.518 24.365 1.00 21.13 C ATOM 936 CE1 HIS H 91 30.269 -0.229 25.296 1.00 22.04 C ATOM 937 NE2 HIS H 91 29.316 0.679 25.403 1.00 21.38 N ATOM 938 N PRO H 92 31.649 -1.161 21.467 1.00 23.92 N ATOM 939 CA PRO H 92 32.910 -1.900 21.575 1.00 25.70 C ATOM 940 C PRO H 92 32.912 -2.964 22.654 1.00 25.24 C ATOM 941 O PRO H 92 33.688 -3.900 22.581 1.00 26.17 O ATOM 942 CB PRO H 92 33.947 -0.799 21.828 1.00 26.02 C ATOM 943 CG PRO H 92 33.140 0.301 22.471 1.00 28.83 C ATOM 944 CD PRO H 92 31.857 0.281 21.680 1.00 26.32 C ATOM 945 N ARG H 93 32.024 -2.854 23.634 1.00 24.40 N ATOM 946 CA ARG H 93 32.005 -3.845 24.699 1.00 24.78 C ATOM 947 C ARG H 93 30.756 -4.715 24.698 1.00 24.22 C ATOM 948 O ARG H 93 30.369 -5.300 25.714 1.00 20.79 O ATOM 949 CB ARG H 93 32.233 -3.139 26.039 1.00 27.47 C ATOM 950 CG ARG H 93 33.617 -2.499 26.079 1.00 30.19 C ATOM 951 CD ARG H 93 33.869 -1.537 27.243 1.00 35.41 C ATOM 952 NE ARG H 93 33.806 -2.145 28.569 1.00 37.36 N ATOM 953 CZ ARG H 93 34.329 -3.323 28.875 1.00 39.38 C ATOM 954 NH1 ARG H 93 34.240 -3.802 30.120 1.00 38.47 N ATOM 955 NH2 ARG H 93 34.924 -4.032 27.928 1.00 42.27 N ATOM 956 N TYR H 94 30.132 -4.799 23.523 1.00 22.82 N ATOM 957 CA TYR H 94 28.956 -5.642 23.329 1.00 21.43 C ATOM 958 C TYR H 94 29.424 -7.072 23.606 1.00 22.45 C ATOM 959 O TYR H 94 30.343 -7.573 22.959 1.00 22.20 O ATOM 960 CB TYR H 94 28.466 -5.470 21.887 1.00 20.43 C ATOM 961 CG TYR H 94 27.617 -6.578 21.330 1.00 17.51 C ATOM 962 CD1 TYR H 94 26.550 -7.106 22.044 1.00 15.89 C ATOM 963 CD2 TYR H 94 27.834 -7.038 20.027 1.00 18.17 C ATOM 964 CE1 TYR H 94 25.716 -8.056 21.476 1.00 15.32 C ATOM 965 CE2 TYR H 94 27.008 -7.987 19.455 1.00 13.94 C ATOM 966 CZ TYR H 94 25.964 -8.486 20.168 1.00 15.46 C ATOM 967 OH TYR H 94 25.153 -9.426 19.573 1.00 15.32 O ATOM 968 N ASN H 95 28.793 -7.723 24.575 1.00 22.59 N ATOM 969 CA ASN H 95 29.179 -9.070 24.975 1.00 23.29 C ATOM 970 C ASN H 95 28.340 -10.167 24.333 1.00 22.76 C ATOM 971 O ASN H 95 27.480 -10.751 24.984 1.00 23.66 O ATOM 972 CB ASN H 95 29.095 -9.187 26.511 1.00 24.33 C ATOM 973 CG ASN H 95 29.817 -10.424 27.049 1.00 27.24 C ATOM 974 OD1 ASN H 95 30.072 -11.388 26.312 1.00 29.37 O ATOM 975 ND2 ASN H 95 30.130 -10.408 28.330 1.00 23.97 N ATOM 976 N TRP H 96 28.580 -10.450 23.058 1.00 22.69 N ATOM 977 CA TRP H 96 27.833 -11.502 22.387 1.00 22.87 C ATOM 978 C TRP H 96 28.278 -12.865 22.884 1.00 24.71 C ATOM 979 O TRP H 96 27.536 -13.847 22.763 1.00 24.14 O ATOM 980 CB TRP H 96 28.022 -11.447 20.861 1.00 22.87 C ATOM 981 CG TRP H 96 29.459 -11.404 20.407 1.00 20.74 C ATOM 982 CD1 TRP H 96 30.204 -10.294 20.184 1.00 21.61 C ATOM 983 CD2 TRP H 96 30.313 -12.525 20.120 1.00 20.86 C ATOM 984 NE1 TRP H 96 31.468 -10.637 19.772 1.00 19.03 N ATOM 985 CE2 TRP H 96 31.565 -12.002 19.725 1.00 19.65 C ATOM 986 CE3 TRP H 96 30.141 -13.918 20.168 1.00 20.05 C ATOM 987 CZ2 TRP H 96 32.656 -12.824 19.368 1.00 19.83 C ATOM 988 CZ3 TRP H 96 31.230 -14.743 19.813 1.00 19.87 C ATOM 989 CH2 TRP H 96 32.467 -14.186 19.419 1.00 19.26 C ATOM 990 N ARG H 97 29.479 -12.932 23.450 1.00 25.25 N ATOM 991 CA ARG H 97 29.982 -14.217 23.946 1.00 29.86 C ATOM 992 C ARG H 97 29.189 -14.835 25.089 1.00 29.84 C ATOM 993 O ARG H 97 29.052 -16.051 25.136 1.00 30.08 O ATOM 994 CB ARG H 97 31.458 -14.117 24.362 1.00 29.34 C ATOM 995 CG ARG H 97 32.409 -14.056 23.193 1.00 32.06 C ATOM 996 CD ARG H 97 33.856 -13.927 23.641 1.00 34.29 C ATOM 997 NE ARG H 97 34.772 -14.014 22.504 1.00 37.81 N ATOM 998 CZ ARG H 97 35.070 -15.145 21.863 1.00 37.82 C ATOM 999 NH1 ARG H 97 35.909 -15.110 20.833 1.00 37.43 N ATOM 1000 NH2 ARG H 97 34.548 -16.307 22.263 1.00 34.57 N ATOM 1001 N GLU H 97A 28.646 -14.036 26.005 1.00 31.12 N ATOM 1002 CA GLU H 97A 27.913 -14.663 27.102 1.00 31.81 C ATOM 1003 C GLU H 97A 26.478 -14.252 27.422 1.00 31.61 C ATOM 1004 O GLU H 97A 25.606 -15.121 27.486 1.00 32.26 O ATOM 1005 CB GLU H 97A 28.732 -14.589 28.390 1.00 34.28 C ATOM 1006 CG GLU H 97A 28.770 -13.237 29.049 1.00 38.09 C ATOM 1007 CD GLU H 97A 29.609 -13.248 30.320 1.00 41.10 C ATOM 1008 OE1 GLU H 97A 30.826 -12.936 30.232 1.00 41.70 O ATOM 1009 OE2 GLU H 97A 29.052 -13.588 31.394 1.00 40.63 O ATOM 1010 N ASN H 98 26.214 -12.956 27.618 1.00 28.82 N ATOM 1011 CA ASN H 98 24.862 -12.524 27.993 1.00 25.31 C ATOM 1012 C ASN H 98 24.246 -11.330 27.264 1.00 23.31 C ATOM 1013 O ASN H 98 23.265 -10.770 27.726 1.00 24.19 O ATOM 1014 CB ASN H 98 24.821 -12.243 29.503 1.00 25.48 C ATOM 1015 CG ASN H 98 25.809 -11.171 29.922 1.00 26.52 C ATOM 1016 OD1 ASN H 98 25.934 -10.852 31.115 1.00 28.91 O ATOM 1017 ND2 ASN H 98 26.517 -10.607 28.951 1.00 19.25 N ATOM 1018 N LEU H 99 24.817 -10.924 26.141 1.00 22.75 N ATOM 1019 CA LEU H 99 24.281 -9.803 25.381 1.00 20.87 C ATOM 1020 C LEU H 99 24.303 -8.464 26.119 1.00 19.68 C ATOM 1021 O LEU H 99 23.510 -7.564 25.850 1.00 20.48 O ATOM 1022 CB LEU H 99 22.864 -10.142 24.926 1.00 21.81 C ATOM 1023 CG LEU H 99 22.662 -10.207 23.412 1.00 25.08 C ATOM 1024 CD1 LEU H 99 23.684 -11.146 22.777 1.00 23.35 C ATOM 1025 CD2 LEU H 99 21.245 -10.685 23.113 1.00 24.92 C ATOM 1026 N ASP H 100 25.223 -8.334 27.056 1.00 18.60 N ATOM 1027 CA ASP H 100 25.381 -7.100 27.808 1.00 20.09 C ATOM 1028 C ASP H 100 25.782 -6.023 26.790 1.00 19.02 C ATOM 1029 O ASP H 100 26.620 -6.285 25.923 1.00 18.30 O ATOM 1030 CB ASP H 100 26.502 -7.267 28.841 1.00 20.47 C ATOM 1031 CG ASP H 100 26.587 -6.100 29.796 1.00 22.80 C ATOM 1032 OD1 ASP H 100 27.711 -5.778 30.255 1.00 21.52 O ATOM 1033 OD2 ASP H 100 25.524 -5.509 30.095 1.00 23.52 O ATOM 1034 N ARG H 101 25.209 -4.826 26.916 1.00 17.36 N ATOM 1035 CA ARG H 101 25.475 -3.696 26.018 1.00 16.78 C ATOM 1036 C ARG H 101 25.045 -4.005 24.581 1.00 16.21 C ATOM 1037 O ARG H 101 25.796 -3.798 23.627 1.00 15.33 O ATOM 1038 CB ARG H 101 26.955 -3.306 26.074 1.00 20.62 C ATOM 1039 CG ARG H 101 27.373 -2.897 27.504 1.00 27.20 C ATOM 1040 CD ARG H 101 28.821 -2.405 27.650 1.00 30.04 C ATOM 1041 NE ARG H 101 29.087 -2.082 29.058 1.00 34.39 N ATOM 1042 CZ ARG H 101 29.146 -0.854 29.586 1.00 38.83 C ATOM 1043 NH1 ARG H 101 28.972 0.234 28.841 1.00 40.18 N ATOM 1044 NH2 ARG H 101 29.363 -0.709 30.891 1.00 40.53 N ATOM 1045 N ASP H 102 23.815 -4.485 24.452 1.00 15.73 N ATOM 1046 CA ASP H 102 23.250 -4.875 23.166 1.00 15.41 C ATOM 1047 C ASP H 102 22.701 -3.595 22.535 1.00 13.58 C ATOM 1048 O ASP H 102 21.513 -3.299 22.622 1.00 13.43 O ATOM 1049 CB ASP H 102 22.154 -5.930 23.410 1.00 12.55 C ATOM 1050 CG ASP H 102 21.642 -6.564 22.125 1.00 15.10 C ATOM 1051 OD1 ASP H 102 22.300 -6.423 21.086 1.00 13.24 O ATOM 1052 OD2 ASP H 102 20.586 -7.228 22.167 1.00 16.81 O ATOM 1053 N ILE H 103 23.592 -2.832 21.911 1.00 14.71 N ATOM 1054 CA ILE H 103 23.194 -1.577 21.308 1.00 14.79 C ATOM 1055 C ILE H 103 24.072 -1.216 20.109 1.00 14.42 C ATOM 1056 O ILE H 103 25.248 -1.542 20.075 1.00 15.75 O ATOM 1057 CB ILE H 103 23.276 -0.460 22.351 1.00 13.17 C ATOM 1058 CG1 ILE H 103 22.589 0.794 21.847 1.00 12.63 C ATOM 1059 CG2 ILE H 103 24.734 -0.146 22.648 1.00 13.39 C ATOM 1060 CD1 ILE H 103 22.545 1.867 22.885 1.00 18.09 C ATOM 1061 N ALA H 104 23.489 -0.531 19.135 1.00 14.86 N ATOM 1062 CA ALA H 104 24.210 -0.125 17.934 1.00 14.89 C ATOM 1063 C ALA H 104 23.553 1.087 17.295 1.00 17.33 C ATOM 1064 O ALA H 104 22.323 1.239 17.339 1.00 17.81 O ATOM 1065 CB ALA H 104 24.228 -1.262 16.952 1.00 14.28 C ATOM 1066 N LEU H 105 24.372 1.963 16.720 1.00 17.56 N ATOM 1067 CA LEU H 105 23.873 3.148 16.031 1.00 19.28 C ATOM 1068 C LEU H 105 24.142 2.987 14.539 1.00 21.61 C ATOM 1069 O LEU H 105 25.138 2.382 14.144 1.00 20.46 O ATOM 1070 CB LEU H 105 24.582 4.381 16.527 1.00 18.82 C ATOM 1071 CG LEU H 105 24.068 4.857 17.868 1.00 19.71 C ATOM 1072 CD1 LEU H 105 25.120 5.680 18.528 1.00 21.46 C ATOM 1073 CD2 LEU H 105 22.764 5.656 17.642 1.00 19.85 C ATOM 1074 N MET H 106 23.248 3.532 13.726 1.00 22.31 N ATOM 1075 CA MET H 106 23.336 3.463 12.273 1.00 23.70 C ATOM 1076 C MET H 106 23.188 4.861 11.700 1.00 24.99 C ATOM 1077 O MET H 106 22.183 5.526 11.946 1.00 24.49 O ATOM 1078 CB MET H 106 22.229 2.561 11.732 1.00 25.03 C ATOM 1079 CG MET H 106 22.536 1.083 11.895 1.00 30.05 C ATOM 1080 SD MET H 106 21.183 -0.018 11.572 1.00 33.05 S ATOM 1081 CE MET H 106 20.589 0.570 10.046 1.00 37.01 C ATOM 1082 N LYS H 107 24.190 5.319 10.954 1.00 24.27 N ATOM 1083 CA LYS H 107 24.120 6.641 10.365 1.00 24.31 C ATOM 1084 C LYS H 107 23.538 6.494 8.969 1.00 25.32 C ATOM 1085 O LYS H 107 23.978 5.635 8.196 1.00 23.98 O ATOM 1086 CB LYS H 107 25.505 7.289 10.308 1.00 24.84 C ATOM 1087 CG LYS H 107 25.477 8.704 9.777 1.00 26.28 C ATOM 1088 CD LYS H 107 26.777 9.430 9.996 1.00 27.49 C ATOM 1089 CE LYS H 107 26.721 10.846 9.446 0.00 26.45 C ATOM 1090 NZ LYS H 107 28.004 11.572 9.655 0.00 26.25 N ATOM 1091 N LEU H 108 22.535 7.317 8.661 1.00 25.43 N ATOM 1092 CA LEU H 108 21.882 7.268 7.349 1.00 28.05 C ATOM 1093 C LEU H 108 22.705 8.041 6.334 1.00 28.65 C ATOM 1094 O LEU H 108 23.369 9.000 6.688 1.00 28.85 O ATOM 1095 CB LEU H 108 20.478 7.879 7.420 1.00 27.63 C ATOM 1096 CG LEU H 108 19.548 7.312 8.494 1.00 25.30 C ATOM 1097 CD1 LEU H 108 18.256 8.097 8.517 1.00 23.93 C ATOM 1098 CD2 LEU H 108 19.288 5.847 8.210 1.00 25.63 C ATOM 1099 N LYS H 109 22.648 7.628 5.072 1.00 31.96 N ATOM 1100 CA LYS H 109 23.410 8.312 4.038 1.00 34.62 C ATOM 1101 C LYS H 109 22.954 9.750 3.866 1.00 35.73 C ATOM 1102 O LYS H 109 23.780 10.650 3.785 1.00 35.35 O ATOM 1103 CB LYS H 109 23.319 7.556 2.712 1.00 36.16 C ATOM 1104 CG LYS H 109 24.530 6.672 2.456 1.00 38.96 C ATOM 1105 CD LYS H 109 24.554 6.085 1.046 1.00 40.44 C ATOM 1106 CE LYS H 109 25.821 5.245 0.842 1.00 43.79 C ATOM 1107 NZ LYS H 109 25.878 4.581 -0.501 1.00 45.90 N ATOM 1108 N LYS H 110 21.641 9.964 3.821 1.00 36.60 N ATOM 1109 CA LYS H 110 21.080 11.317 3.686 1.00 37.33 C ATOM 1110 C LYS H 110 20.022 11.526 4.777 1.00 36.38 C ATOM 1111 O LYS H 110 19.360 10.572 5.195 1.00 35.43 O ATOM 1112 CB LYS H 110 20.431 11.492 2.308 1.00 39.20 C ATOM 1113 CG LYS H 110 21.384 11.254 1.144 1.00 43.12 C ATOM 1114 CD LYS H 110 20.760 11.669 -0.184 1.00 46.37 C ATOM 1115 CE LYS H 110 21.761 11.510 -1.337 1.00 48.75 C ATOM 1116 NZ LYS H 110 21.233 12.043 -2.636 1.00 48.30 N ATOM 1117 N PRO H 111 19.841 12.775 5.244 1.00 35.44 N ATOM 1118 CA PRO H 111 18.839 13.011 6.290 1.00 35.08 C ATOM 1119 C PRO H 111 17.446 12.671 5.767 1.00 34.33 C ATOM 1120 O PRO H 111 17.160 12.879 4.591 1.00 34.48 O ATOM 1121 CB PRO H 111 18.993 14.506 6.595 1.00 34.88 C ATOM 1122 CG PRO H 111 20.403 14.824 6.161 1.00 36.46 C ATOM 1123 CD PRO H 111 20.521 14.030 4.883 1.00 36.33 C ATOM 1124 N VAL H 112 16.590 12.129 6.626 1.00 33.27 N ATOM 1125 CA VAL H 112 15.233 11.782 6.212 1.00 30.75 C ATOM 1126 C VAL H 112 14.367 12.997 6.507 1.00 30.29 C ATOM 1127 O VAL H 112 14.669 13.764 7.418 1.00 29.45 O ATOM 1128 CB VAL H 112 14.692 10.547 6.997 1.00 32.96 C ATOM 1129 CG1 VAL H 112 14.489 10.894 8.482 1.00 30.89 C ATOM 1130 CG2 VAL H 112 13.391 10.065 6.383 1.00 32.15 C ATOM 1131 N ALA H 113 13.304 13.193 5.733 1.00 29.15 N ATOM 1132 CA ALA H 113 12.424 14.328 5.966 1.00 28.18 C ATOM 1133 C ALA H 113 11.270 13.865 6.842 1.00 26.87 C ATOM 1134 O ALA H 113 10.678 12.820 6.592 1.00 25.56 O ATOM 1135 CB ALA H 113 11.897 14.882 4.630 1.00 29.78 C ATOM 1136 N PHE H 114 10.955 14.644 7.875 1.00 27.42 N ATOM 1137 CA PHE H 114 9.877 14.291 8.786 1.00 26.03 C ATOM 1138 C PHE H 114 8.515 14.513 8.165 1.00 26.94 C ATOM 1139 O PHE H 114 8.381 15.228 7.172 1.00 28.17 O ATOM 1140 CB PHE H 114 10.005 15.077 10.098 1.00 26.73 C ATOM 1141 CG PHE H 114 11.311 14.856 10.802 1.00 24.25 C ATOM 1142 CD1 PHE H 114 12.023 13.677 10.609 1.00 24.29 C ATOM 1143 CD2 PHE H 114 11.818 15.809 11.667 1.00 25.40 C ATOM 1144 CE1 PHE H 114 13.219 13.451 11.264 1.00 22.48 C ATOM 1145 CE2 PHE H 114 13.014 15.595 12.328 1.00 24.48 C ATOM 1146 CZ PHE H 114 13.716 14.411 12.124 1.00 24.72 C ATOM 1147 N SER H 115 7.499 13.892 8.747 1.00 24.19 N ATOM 1148 CA SER H 115 6.150 13.997 8.220 1.00 24.61 C ATOM 1149 C SER H 115 5.188 13.510 9.290 1.00 24.38 C ATOM 1150 O SER H 115 5.594 13.277 10.424 1.00 23.63 O ATOM 1151 CB SER H 115 6.011 13.113 6.985 1.00 23.68 C ATOM 1152 OG SER H 115 5.957 11.749 7.369 1.00 22.18 O ATOM 1153 N ASP H 116 3.920 13.362 8.927 1.00 23.01 N ATOM 1154 CA ASP H 116 2.910 12.890 9.867 1.00 23.65 C ATOM 1155 C ASP H 116 3.238 11.489 10.389 1.00 22.97 C ATOM 1156 O ASP H 116 2.834 11.123 11.489 1.00 21.73 O ATOM 1157 CB ASP H 116 1.535 12.809 9.192 1.00 23.96 C ATOM 1158 CG ASP H 116 0.828 14.149 9.108 1.00 27.05 C ATOM 1159 OD1 ASP H 116 -0.274 14.173 8.518 1.00 28.70 O ATOM 1160 OD2 ASP H 116 1.353 15.166 9.616 1.00 26.98 O ATOM 1161 N TYR H 117 3.970 10.718 9.589 1.00 20.44 N ATOM 1162 CA TYR H 117 4.291 9.333 9.916 1.00 21.53 C ATOM 1163 C TYR H 117 5.748 9.041 10.311 1.00 20.09 C ATOM 1164 O TYR H 117 6.076 7.909 10.696 1.00 21.48 O ATOM 1165 CB TYR H 117 3.918 8.461 8.702 1.00 21.49 C ATOM 1166 CG TYR H 117 2.619 8.892 8.041 1.00 22.78 C ATOM 1167 CD1 TYR H 117 2.617 9.734 6.923 1.00 23.08 C ATOM 1168 CD2 TYR H 117 1.399 8.470 8.546 1.00 23.10 C ATOM 1169 CE1 TYR H 117 1.416 10.137 6.325 1.00 23.86 C ATOM 1170 CE2 TYR H 117 0.201 8.869 7.963 1.00 26.58 C ATOM 1171 CZ TYR H 117 0.223 9.694 6.852 1.00 25.14 C ATOM 1172 OH TYR H 117 -0.962 10.006 6.255 1.00 27.73 O ATOM 1173 N ILE H 118 6.601 10.050 10.202 1.00 18.65 N ATOM 1174 CA ILE H 118 8.026 9.932 10.491 1.00 19.03 C ATOM 1175 C ILE H 118 8.448 11.053 11.442 1.00 18.29 C ATOM 1176 O ILE H 118 8.417 12.234 11.089 1.00 17.31 O ATOM 1177 CB ILE H 118 8.829 10.040 9.163 1.00 18.15 C ATOM 1178 CG1 ILE H 118 8.323 8.967 8.183 1.00 15.55 C ATOM 1179 CG2 ILE H 118 10.325 9.943 9.439 1.00 17.29 C ATOM 1180 CD1 ILE H 118 8.941 9.037 6.786 1.00 17.52 C ATOM 1181 N HIS H 119 8.873 10.689 12.646 1.00 17.90 N ATOM 1182 CA HIS H 119 9.238 11.701 13.630 1.00 17.14 C ATOM 1183 C HIS H 119 10.089 11.009 14.703 1.00 16.65 C ATOM 1184 O HIS H 119 9.763 9.920 15.141 1.00 16.64 O ATOM 1185 CB HIS H 119 7.949 12.265 14.222 1.00 18.23 C ATOM 1186 CG HIS H 119 8.137 13.537 14.983 1.00 20.03 C ATOM 1187 ND1 HIS H 119 8.276 14.761 14.362 1.00 19.78 N ATOM 1188 CD2 HIS H 119 8.275 13.765 16.314 1.00 18.28 C ATOM 1189 CE1 HIS H 119 8.501 15.689 15.280 1.00 22.53 C ATOM 1190 NE2 HIS H 119 8.506 15.110 16.472 1.00 20.36 N ATOM 1191 N PRO H 120 11.169 11.651 15.155 1.00 15.15 N ATOM 1192 CA PRO H 120 12.030 11.031 16.157 1.00 15.67 C ATOM 1193 C PRO H 120 11.535 10.965 17.599 1.00 16.25 C ATOM 1194 O PRO H 120 10.724 11.799 18.041 1.00 14.61 O ATOM 1195 CB PRO H 120 13.320 11.825 16.024 1.00 16.17 C ATOM 1196 CG PRO H 120 12.816 13.200 15.724 1.00 18.18 C ATOM 1197 CD PRO H 120 11.684 12.969 14.750 1.00 17.32 C ATOM 1198 N VAL H 121 12.031 9.954 18.311 1.00 12.42 N ATOM 1199 CA VAL H 121 11.704 9.763 19.724 1.00 13.41 C ATOM 1200 C VAL H 121 12.821 10.442 20.535 1.00 14.18 C ATOM 1201 O VAL H 121 13.939 10.601 20.045 1.00 14.55 O ATOM 1202 CB VAL H 121 11.651 8.247 20.073 1.00 12.78 C ATOM 1203 CG1 VAL H 121 13.090 7.662 20.060 1.00 11.20 C ATOM 1204 CG2 VAL H 121 10.970 8.025 21.444 1.00 11.60 C ATOM 1205 N CYS H 122 12.533 10.853 21.765 1.00 14.97 N ATOM 1206 CA CYS H 122 13.546 11.482 22.611 1.00 14.79 C ATOM 1207 C CYS H 122 14.382 10.449 23.361 1.00 14.78 C ATOM 1208 O CYS H 122 13.924 9.344 23.614 1.00 15.02 O ATOM 1209 CB CYS H 122 12.911 12.356 23.695 1.00 15.89 C ATOM 1210 SG CYS H 122 11.717 13.568 23.147 1.00 15.64 S ATOM 1211 N LEU H 123 15.604 10.824 23.731 1.00 16.65 N ATOM 1212 CA LEU H 123 16.452 9.935 24.529 1.00 17.37 C ATOM 1213 C LEU H 123 16.368 10.526 25.930 1.00 17.10 C ATOM 1214 O LEU H 123 16.359 11.738 26.098 1.00 18.29 O ATOM 1215 CB LEU H 123 17.883 9.931 24.026 1.00 17.88 C ATOM 1216 CG LEU H 123 18.139 9.345 22.625 1.00 17.65 C ATOM 1217 CD1 LEU H 123 19.660 9.278 22.409 1.00 18.29 C ATOM 1218 CD2 LEU H 123 17.540 7.945 22.514 1.00 19.14 C ATOM 1219 N PRO H 124 16.274 9.674 26.953 1.00 18.11 N ATOM 1220 CA PRO H 124 16.171 10.136 28.333 1.00 19.19 C ATOM 1221 C PRO H 124 17.368 10.861 28.928 1.00 22.12 C ATOM 1222 O PRO H 124 18.531 10.606 28.594 1.00 21.85 O ATOM 1223 CB PRO H 124 15.843 8.857 29.093 1.00 18.10 C ATOM 1224 CG PRO H 124 16.627 7.847 28.357 1.00 17.78 C ATOM 1225 CD PRO H 124 16.349 8.201 26.901 1.00 16.50 C ATOM 1226 N ASP H 125 17.042 11.805 29.798 1.00 25.44 N ATOM 1227 CA ASP H 125 18.028 12.566 30.540 1.00 28.80 C ATOM 1228 C ASP H 125 18.069 11.807 31.864 1.00 29.77 C ATOM 1229 O ASP H 125 17.193 10.985 32.143 1.00 28.07 O ATOM 1230 CB ASP H 125 17.534 13.994 30.780 1.00 31.66 C ATOM 1231 CG ASP H 125 16.129 14.032 31.355 1.00 36.32 C ATOM 1232 OD1 ASP H 125 15.160 13.967 30.567 1.00 38.82 O ATOM 1233 OD2 ASP H 125 15.981 14.105 32.601 1.00 40.03 O ATOM 1234 N ARG H 126 19.074 12.083 32.681 1.00 31.84 N ATOM 1235 CA ARG H 126 19.219 11.414 33.963 1.00 33.90 C ATOM 1236 C ARG H 126 17.962 11.440 34.846 1.00 33.59 C ATOM 1237 O ARG H 126 17.600 10.428 35.444 1.00 32.96 O ATOM 1238 CB ARG H 126 20.394 12.040 34.720 1.00 37.84 C ATOM 1239 CG ARG H 126 21.022 11.156 35.776 1.00 41.28 C ATOM 1240 CD ARG H 126 20.099 10.939 36.954 1.00 44.89 C ATOM 1241 NE ARG H 126 20.679 10.020 37.931 1.00 49.51 N ATOM 1242 CZ ARG H 126 21.899 10.147 38.451 1.00 51.47 C ATOM 1243 NH1 ARG H 126 22.339 9.262 39.341 1.00 51.21 N ATOM 1244 NH2 ARG H 126 22.682 11.153 38.073 1.00 52.02 N ATOM 1245 N GLU H 127 17.288 12.581 34.926 1.00 33.25 N ATOM 1246 CA GLU H 127 16.114 12.677 35.789 1.00 33.41 C ATOM 1247 C GLU H 127 14.874 11.984 35.250 1.00 31.65 C ATOM 1248 O GLU H 127 14.092 11.410 36.010 1.00 30.27 O ATOM 1249 CB GLU H 127 15.802 14.139 36.092 1.00 36.82 C ATOM 1250 CG GLU H 127 15.343 14.365 37.534 1.00 43.84 C ATOM 1251 CD GLU H 127 16.350 13.834 38.561 1.00 46.68 C ATOM 1252 OE1 GLU H 127 17.528 14.251 38.510 1.00 48.24 O ATOM 1253 OE2 GLU H 127 15.966 12.996 39.415 1.00 48.82 O ATOM 1254 N THR H 128 14.673 12.042 33.940 1.00 30.06 N ATOM 1255 CA THR H 128 13.522 11.370 33.368 1.00 28.22 C ATOM 1256 C THR H 128 13.679 9.859 33.637 1.00 26.24 C ATOM 1257 O THR H 128 12.749 9.209 34.098 1.00 25.27 O ATOM 1258 CB THR H 128 13.414 11.672 31.851 1.00 29.88 C ATOM 1259 OG1 THR H 128 13.065 13.054 31.673 1.00 31.50 O ATOM 1260 CG2 THR H 128 12.356 10.819 31.208 1.00 30.15 C ATOM 1261 N ALA H 129 14.865 9.312 33.388 1.00 25.50 N ATOM 1262 CA ALA H 129 15.098 7.898 33.633 1.00 26.12 C ATOM 1263 C ALA H 129 14.798 7.579 35.093 1.00 28.67 C ATOM 1264 O ALA H 129 14.134 6.579 35.411 1.00 28.62 O ATOM 1265 CB ALA H 129 16.541 7.543 33.309 1.00 27.02 C ATOM 1266 N ALA H 129A 15.264 8.452 35.986 1.00 28.87 N ATOM 1267 CA ALA H 129A 15.065 8.253 37.418 1.00 28.88 C ATOM 1268 C ALA H 129A 13.602 8.187 37.813 1.00 28.94 C ATOM 1269 O ALA H 129A 13.195 7.301 38.562 1.00 29.12 O ATOM 1270 CB ALA H 129A 15.781 9.367 38.206 1.00 29.21 C ATOM 1271 N SER H 129B 12.791 9.099 37.292 1.00 28.66 N ATOM 1272 CA SER H 129B 11.380 9.111 37.651 1.00 28.81 C ATOM 1273 C SER H 129B 10.539 7.980 37.072 1.00 27.54 C ATOM 1274 O SER H 129B 9.679 7.432 37.751 1.00 28.93 O ATOM 1275 CB SER H 129B 10.750 10.437 37.226 1.00 31.96 C ATOM 1276 OG SER H 129B 11.579 11.525 37.581 1.00 38.49 O ATOM 1277 N LEU H 129C 10.789 7.636 35.817 1.00 24.61 N ATOM 1278 CA LEU H 129C 10.007 6.630 35.116 1.00 24.57 C ATOM 1279 C LEU H 129C 10.436 5.163 35.167 1.00 23.68 C ATOM 1280 O LEU H 129C 9.610 4.276 34.990 1.00 24.99 O ATOM 1281 CB LEU H 129C 9.864 7.065 33.647 1.00 24.04 C ATOM 1282 CG LEU H 129C 8.693 8.007 33.316 1.00 27.99 C ATOM 1283 CD1 LEU H 129C 8.507 9.030 34.405 1.00 29.13 C ATOM 1284 CD2 LEU H 129C 8.936 8.679 31.978 1.00 28.56 C ATOM 1285 N LEU H 130 11.713 4.895 35.376 1.00 24.55 N ATOM 1286 CA LEU H 130 12.161 3.506 35.414 1.00 26.31 C ATOM 1287 C LEU H 130 11.950 2.912 36.790 1.00 26.28 C ATOM 1288 O LEU H 130 12.882 2.771 37.554 1.00 25.86 O ATOM 1289 CB LEU H 130 13.640 3.403 35.042 1.00 27.65 C ATOM 1290 CG LEU H 130 13.953 3.427 33.554 1.00 31.43 C ATOM 1291 CD1 LEU H 130 15.459 3.281 33.346 1.00 33.53 C ATOM 1292 CD2 LEU H 130 13.226 2.281 32.865 1.00 32.36 C ATOM 1293 N GLN H 131 10.709 2.567 37.097 1.00 27.14 N ATOM 1294 CA GLN H 131 10.386 2.001 38.390 1.00 26.57 C ATOM 1295 C GLN H 131 9.482 0.815 38.195 1.00 25.29 C ATOM 1296 O GLN H 131 8.662 0.800 37.280 1.00 21.59 O ATOM 1297 CB GLN H 131 9.691 3.053 39.253 1.00 28.33 C ATOM 1298 CG GLN H 131 10.606 4.169 39.700 1.00 32.09 C ATOM 1299 CD GLN H 131 9.902 5.160 40.602 1.00 35.66 C ATOM 1300 OE1 GLN H 131 9.336 4.787 41.631 1.00 39.54 O ATOM 1301 NE2 GLN H 131 9.930 6.430 40.224 1.00 38.25 N ATOM 1302 N ALA H 132 9.624 -0.180 39.064 1.00 25.61 N ATOM 1303 CA ALA H 132 8.801 -1.377 38.982 1.00 26.48 C ATOM 1304 C ALA H 132 7.331 -0.999 38.994 1.00 25.94 C ATOM 1305 O ALA H 132 6.910 -0.143 39.767 1.00 26.96 O ATOM 1306 CB ALA H 132 9.122 -2.315 40.149 1.00 27.93 C ATOM 1307 N GLY H 133 6.543 -1.620 38.121 1.00 25.56 N ATOM 1308 CA GLY H 133 5.127 -1.301 38.073 1.00 23.11 C ATOM 1309 C GLY H 133 4.756 -0.292 37.004 1.00 21.50 C ATOM 1310 O GLY H 133 3.641 -0.309 36.516 1.00 22.03 O ATOM 1311 N TYR H 134 5.675 0.598 36.641 1.00 22.04 N ATOM 1312 CA TYR H 134 5.388 1.596 35.600 1.00 20.49 C ATOM 1313 C TYR H 134 5.376 0.896 34.239 1.00 20.00 C ATOM 1314 O TYR H 134 6.275 0.113 33.932 1.00 21.18 O ATOM 1315 CB TYR H 134 6.467 2.688 35.601 1.00 21.53 C ATOM 1316 CG TYR H 134 6.363 3.714 36.720 1.00 24.37 C ATOM 1317 CD1 TYR H 134 5.871 3.363 37.983 1.00 24.67 C ATOM 1318 CD2 TYR H 134 6.795 5.029 36.527 1.00 24.34 C ATOM 1319 CE1 TYR H 134 5.816 4.298 39.021 1.00 25.69 C ATOM 1320 CE2 TYR H 134 6.742 5.968 37.557 1.00 25.39 C ATOM 1321 CZ TYR H 134 6.249 5.588 38.804 1.00 25.98 C ATOM 1322 OH TYR H 134 6.179 6.503 39.834 1.00 28.26 O ATOM 1323 N LYS H 135 4.393 1.205 33.409 1.00 18.69 N ATOM 1324 CA LYS H 135 4.296 0.576 32.096 1.00 18.56 C ATOM 1325 C LYS H 135 4.965 1.340 30.987 1.00 17.51 C ATOM 1326 O LYS H 135 5.002 2.577 30.978 1.00 14.01 O ATOM 1327 CB LYS H 135 2.837 0.352 31.715 1.00 21.11 C ATOM 1328 CG LYS H 135 2.128 -0.646 32.628 1.00 22.19 C ATOM 1329 CD LYS H 135 0.703 -0.905 32.215 1.00 21.40 C ATOM 1330 CE LYS H 135 -0.023 -1.719 33.290 1.00 21.60 C ATOM 1331 NZ LYS H 135 -1.464 -1.890 32.964 1.00 21.22 N ATOM 1332 N GLY H 136 5.522 0.581 30.054 1.00 16.23 N ATOM 1333 CA GLY H 136 6.157 1.172 28.900 1.00 13.73 C ATOM 1334 C GLY H 136 5.437 0.521 27.740 1.00 14.97 C ATOM 1335 O GLY H 136 4.566 -0.334 27.969 1.00 14.03 O ATOM 1336 N ARG H 137 5.814 0.876 26.513 1.00 13.55 N ATOM 1337 CA ARG H 137 5.151 0.343 25.318 1.00 13.88 C ATOM 1338 C ARG H 137 6.165 -0.226 24.329 1.00 13.90 C ATOM 1339 O ARG H 137 7.190 0.406 24.055 1.00 15.08 O ATOM 1340 CB ARG H 137 4.331 1.458 24.634 1.00 12.95 C ATOM 1341 CG ARG H 137 3.859 1.124 23.210 1.00 15.69 C ATOM 1342 CD ARG H 137 2.988 2.238 22.615 1.00 16.62 C ATOM 1343 NE ARG H 137 1.701 2.379 23.311 1.00 15.14 N ATOM 1344 CZ ARG H 137 0.886 3.425 23.159 1.00 17.69 C ATOM 1345 NH1 ARG H 137 1.225 4.418 22.339 1.00 16.54 N ATOM 1346 NH2 ARG H 137 -0.278 3.481 23.819 1.00 16.17 N ATOM 1347 N VAL H 138 5.873 -1.415 23.795 1.00 13.27 N ATOM 1348 CA VAL H 138 6.759 -2.071 22.834 1.00 13.32 C ATOM 1349 C VAL H 138 5.987 -2.290 21.536 1.00 13.82 C ATOM 1350 O VAL H 138 4.835 -2.709 21.573 1.00 14.59 O ATOM 1351 CB VAL H 138 7.248 -3.449 23.377 1.00 13.80 C ATOM 1352 CG1 VAL H 138 8.186 -4.089 22.396 1.00 14.75 C ATOM 1353 CG2 VAL H 138 7.954 -3.256 24.709 1.00 17.83 C ATOM 1354 N THR H 139 6.643 -2.046 20.404 1.00 14.86 N ATOM 1355 CA THR H 139 6.027 -2.183 19.082 1.00 13.81 C ATOM 1356 C THR H 139 6.903 -2.984 18.116 1.00 14.91 C ATOM 1357 O THR H 139 8.119 -2.973 18.229 1.00 14.68 O ATOM 1358 CB THR H 139 5.846 -0.808 18.417 1.00 15.92 C ATOM 1359 OG1 THR H 139 7.077 -0.066 18.519 1.00 15.61 O ATOM 1360 CG2 THR H 139 4.710 -0.018 19.080 1.00 17.39 C ATOM 1361 N GLY H 140 6.289 -3.643 17.135 1.00 16.22 N ATOM 1362 CA GLY H 140 7.067 -4.386 16.157 1.00 16.70 C ATOM 1363 C GLY H 140 6.247 -5.232 15.185 1.00 18.14 C ATOM 1364 O GLY H 140 5.071 -5.438 15.396 1.00 17.17 O ATOM 1365 N TRP H 141 6.884 -5.716 14.122 1.00 19.76 N ATOM 1366 CA TRP H 141 6.230 -6.566 13.129 1.00 21.49 C ATOM 1367 C TRP H 141 6.602 -8.039 13.363 1.00 25.03 C ATOM 1368 O TRP H 141 6.396 -8.898 12.485 1.00 25.00 O ATOM 1369 CB TRP H 141 6.670 -6.159 11.732 1.00 20.76 C ATOM 1370 CG TRP H 141 6.148 -4.830 11.305 1.00 20.32 C ATOM 1371 CD1 TRP H 141 4.887 -4.554 10.841 1.00 20.10 C ATOM 1372 CD2 TRP H 141 6.865 -3.594 11.287 1.00 19.85 C ATOM 1373 NE1 TRP H 141 4.781 -3.219 10.531 1.00 22.17 N ATOM 1374 CE2 TRP H 141 5.980 -2.606 10.796 1.00 21.04 C ATOM 1375 CE3 TRP H 141 8.168 -3.221 11.637 1.00 19.87 C ATOM 1376 CZ2 TRP H 141 6.361 -1.267 10.645 1.00 22.27 C ATOM 1377 CZ3 TRP H 141 8.552 -1.889 11.488 1.00 21.46 C ATOM 1378 CH2 TRP H 141 7.647 -0.925 10.994 1.00 21.34 C ATOM 1379 N GLY H 142 7.130 -8.328 14.550 1.00 23.84 N ATOM 1380 CA GLY H 142 7.534 -9.683 14.873 1.00 26.50 C ATOM 1381 C GLY H 142 6.413 -10.696 14.997 1.00 27.67 C ATOM 1382 O GLY H 142 5.230 -10.351 14.941 1.00 26.72 O ATOM 1383 N ASN H 143 6.801 -11.957 15.174 1.00 28.06 N ATOM 1384 CA ASN H 143 5.858 -13.055 15.311 1.00 29.88 C ATOM 1385 C ASN H 143 4.803 -12.840 16.393 1.00 31.19 C ATOM 1386 O ASN H 143 5.079 -12.262 17.455 1.00 27.54 O ATOM 1387 CB ASN H 143 6.604 -14.367 15.593 1.00 32.15 C ATOM 1388 CG ASN H 143 7.559 -14.753 14.476 1.00 34.80 C ATOM 1389 OD1 ASN H 143 7.315 -14.474 13.295 1.00 36.92 O ATOM 1390 ND2 ASN H 143 8.647 -15.412 14.840 1.00 35.42 N ATOM 1391 N LEU H 144 3.602 -13.344 16.110 1.00 32.39 N ATOM 1392 CA LEU H 144 2.452 -13.241 16.999 1.00 34.81 C ATOM 1393 C LEU H 144 2.445 -14.341 18.046 1.00 36.42 C ATOM 1394 O LEU H 144 1.820 -14.198 19.099 1.00 36.04 O ATOM 1395 CB LEU H 144 1.157 -13.304 16.180 1.00 36.60 C ATOM 1396 CG LEU H 144 0.676 -12.037 15.453 1.00 39.17 C ATOM 1397 CD1 LEU H 144 0.004 -11.076 16.431 1.00 40.15 C ATOM 1398 CD2 LEU H 144 1.839 -11.354 14.805 1.00 41.27 C ATOM 1399 N LYS H 145 3.139 -15.435 17.749 1.00 38.76 N ATOM 1400 CA LYS H 145 3.218 -16.582 18.656 1.00 41.43 C ATOM 1401 C LYS H 145 4.626 -17.155 18.695 1.00 41.94 C ATOM 1402 O LYS H 145 5.407 -16.958 17.766 1.00 42.00 O ATOM 1403 CB LYS H 145 2.264 -17.695 18.207 1.00 42.38 C ATOM 1404 CG LYS H 145 0.804 -17.377 18.384 1.00 44.30 C ATOM 1405 CD LYS H 145 -0.062 -18.587 18.107 1.00 44.68 C ATOM 1406 CE LYS H 145 -1.537 -18.267 18.379 1.00 46.91 C ATOM 1407 NZ LYS H 145 -2.391 -19.487 18.355 1.00 45.11 N ATOM 1408 N GLU H 146 4.949 -17.867 19.767 1.00 43.56 N ATOM 1409 CA GLU H 146 6.264 -18.475 19.873 1.00 46.82 C ATOM 1410 C GLU H 146 6.386 -19.522 18.762 1.00 49.59 C ATOM 1411 O GLU H 146 7.405 -19.597 18.065 1.00 50.34 O ATOM 1412 CB GLU H 146 6.439 -19.138 21.237 1.00 45.58 C ATOM 1413 CG GLU H 146 7.875 -19.483 21.547 1.00 44.32 C ATOM 1414 CD GLU H 146 8.036 -20.113 22.907 1.00 44.73 C ATOM 1415 OE1 GLU H 146 7.547 -19.543 23.908 1.00 43.76 O ATOM 1416 OE2 GLU H 146 8.662 -21.185 22.976 1.00 45.56 O ATOM 1417 N THR H 147 5.342 -20.327 18.597 1.00 51.79 N ATOM 1418 CA THR H 147 5.322 -21.343 17.550 1.00 55.07 C ATOM 1419 C THR H 147 3.909 -21.588 17.048 1.00 56.89 C ATOM 1420 O THR H 147 2.936 -21.509 17.808 1.00 57.18 O ATOM 1421 CB THR H 147 5.902 -22.706 18.024 1.00 55.22 C ATOM 1422 OG1 THR H 147 5.335 -23.065 19.292 1.00 54.80 O ATOM 1423 CG2 THR H 147 7.423 -22.637 18.130 1.00 56.60 C ATOM 1424 N TRP H 148 3.806 -21.880 15.757 1.00 58.54 N ATOM 1425 CA TRP H 148 2.525 -22.162 15.126 1.00 59.86 C ATOM 1426 C TRP H 148 2.804 -23.072 13.938 1.00 60.80 C ATOM 1427 O TRP H 148 3.824 -22.923 13.253 1.00 61.06 O ATOM 1428 CB TRP H 148 1.860 -20.864 14.654 1.00 59.65 C ATOM 1429 CG TRP H 148 2.419 -20.344 13.373 1.00 60.10 C ATOM 1430 CD1 TRP H 148 1.883 -20.490 12.124 1.00 60.26 C ATOM 1431 CD2 TRP H 148 3.647 -19.623 13.204 1.00 60.24 C ATOM 1432 NE1 TRP H 148 2.701 -19.902 11.185 1.00 60.35 N ATOM 1433 CE2 TRP H 148 3.790 -19.362 11.819 1.00 60.17 C ATOM 1434 CE3 TRP H 148 4.639 -19.171 14.086 1.00 59.99 C ATOM 1435 CZ2 TRP H 148 4.888 -18.667 11.294 1.00 59.73 C ATOM 1436 CZ3 TRP H 148 5.733 -18.480 13.565 1.00 60.62 C ATOM 1437 CH2 TRP H 148 5.846 -18.236 12.178 1.00 60.57 C ATOM 1438 N THR H 149 1.898 -24.016 13.705 1.00 61.89 N ATOM 1439 CA THR H 149 2.030 -24.964 12.604 1.00 62.63 C ATOM 1440 C THR H 149 2.243 -24.264 11.255 1.00 63.17 C ATOM 1441 O THR H 149 1.648 -23.219 10.986 1.00 63.78 O ATOM 1442 CB THR H 149 0.777 -25.854 12.503 1.00 62.31 C ATOM 1443 OG1 THR H 149 0.588 -26.554 13.740 1.00 62.66 O ATOM 1444 CG2 THR H 149 0.927 -26.850 11.363 1.00 62.03 C ATOM 1445 N ALA H 149A 3.091 -24.843 10.411 1.00 63.46 N ATOM 1446 CA ALA H 149A 3.356 -24.267 9.100 1.00 64.02 C ATOM 1447 C ALA H 149A 2.139 -24.486 8.205 1.00 64.60 C ATOM 1448 O ALA H 149A 1.249 -25.280 8.534 1.00 65.50 O ATOM 1449 CB ALA H 149A 4.595 -24.918 8.478 1.00 63.71 C ATOM 1450 N ASN H 149B 2.099 -23.775 7.080 1.00 64.72 N ATOM 1451 CA ASN H 149B 0.997 -23.882 6.120 1.00 64.17 C ATOM 1452 C ASN H 149B -0.389 -23.590 6.718 1.00 63.37 C ATOM 1453 O ASN H 149B -1.357 -23.348 5.986 1.00 63.44 O ATOM 1454 CB ASN H 149B 1.008 -25.271 5.465 1.00 64.84 C ATOM 1455 CG ASN H 149B 2.185 -25.458 4.507 1.00 66.06 C ATOM 1456 OD1 ASN H 149B 2.281 -24.781 3.477 1.00 65.73 O ATOM 1457 ND2 ASN H 149B 3.089 -26.376 4.849 1.00 66.38 N ATOM 1458 N VAL H 149C -0.480 -23.602 8.044 0.00 61.66 N ATOM 1459 CA VAL H 149C -1.740 -23.334 8.729 0.00 60.15 C ATOM 1460 C VAL H 149C -1.758 -21.893 9.232 0.00 59.49 C ATOM 1461 O VAL H 149C -1.696 -21.642 10.437 0.00 59.26 O ATOM 1462 CB VAL H 149C -1.942 -24.287 9.929 0.00 59.80 C ATOM 1463 CG1 VAL H 149C -3.312 -24.060 10.553 0.00 59.50 C ATOM 1464 CG2 VAL H 149C -1.797 -25.730 9.475 0.00 59.50 C ATOM 1465 N GLY H 149D -1.838 -20.950 8.300 0.00 58.91 N ATOM 1466 CA GLY H 149D -1.858 -19.547 8.668 0.00 58.42 C ATOM 1467 C GLY H 149D -0.467 -18.947 8.722 0.00 58.14 C ATOM 1468 O GLY H 149D 0.475 -19.489 8.143 0.00 58.02 O ATOM 1469 N LYS H 149E -0.338 -17.824 9.421 1.00 58.33 N ATOM 1470 CA LYS H 149E 0.945 -17.141 9.553 1.00 57.50 C ATOM 1471 C LYS H 149E 1.056 -16.465 10.916 1.00 56.39 C ATOM 1472 O LYS H 149E 0.165 -15.713 11.323 1.00 56.73 O ATOM 1473 CB LYS H 149E 1.107 -16.095 8.442 1.00 58.56 C ATOM 1474 CG LYS H 149E 1.170 -16.690 7.035 1.00 60.33 C ATOM 1475 CD LYS H 149E 1.346 -15.620 5.958 1.00 60.47 C ATOM 1476 CE LYS H 149E 1.368 -16.235 4.556 1.00 60.26 C ATOM 1477 NZ LYS H 149E 1.624 -15.205 3.500 1.00 60.88 N ATOM 1478 N GLY H 150 2.150 -16.750 11.619 1.00 54.23 N ATOM 1479 CA GLY H 150 2.377 -16.162 12.923 1.00 50.39 C ATOM 1480 C GLY H 150 2.962 -14.774 12.759 1.00 48.50 C ATOM 1481 O GLY H 150 3.612 -14.240 13.660 1.00 47.20 O ATOM 1482 N GLN H 151 2.745 -14.195 11.585 1.00 46.31 N ATOM 1483 CA GLN H 151 3.228 -12.855 11.294 1.00 44.74 C ATOM 1484 C GLN H 151 2.024 -11.932 11.092 1.00 43.09 C ATOM 1485 O GLN H 151 1.042 -12.308 10.446 1.00 43.42 O ATOM 1486 CB GLN H 151 4.130 -12.872 10.058 1.00 45.06 C ATOM 1487 CG GLN H 151 3.755 -13.896 8.998 0.00 45.31 C ATOM 1488 CD GLN H 151 4.229 -15.297 9.344 0.00 45.46 C ATOM 1489 OE1 GLN H 151 4.028 -16.240 8.579 0.00 45.55 O ATOM 1490 NE2 GLN H 151 4.867 -15.439 10.501 0.00 45.56 N ATOM 1491 N PRO H 152 2.082 -10.710 11.653 1.00 40.66 N ATOM 1492 CA PRO H 152 0.989 -9.737 11.542 1.00 37.35 C ATOM 1493 C PRO H 152 1.053 -9.012 10.211 1.00 34.34 C ATOM 1494 O PRO H 152 2.106 -8.976 9.589 1.00 33.87 O ATOM 1495 CB PRO H 152 1.264 -8.802 12.710 1.00 37.54 C ATOM 1496 CG PRO H 152 2.768 -8.673 12.637 1.00 38.89 C ATOM 1497 CD PRO H 152 3.250 -10.106 12.326 1.00 39.39 C ATOM 1498 N SER H 153 -0.061 -8.442 9.767 1.00 32.88 N ATOM 1499 CA SER H 153 -0.050 -7.700 8.511 1.00 32.68 C ATOM 1500 C SER H 153 0.148 -6.224 8.808 1.00 31.64 C ATOM 1501 O SER H 153 0.420 -5.428 7.908 1.00 30.95 O ATOM 1502 CB SER H 153 -1.354 -7.901 7.730 1.00 33.86 C ATOM 1503 OG SER H 153 -2.485 -7.646 8.537 1.00 38.12 O ATOM 1504 N VAL H 154 0.034 -5.858 10.079 1.00 28.11 N ATOM 1505 CA VAL H 154 0.194 -4.461 10.466 1.00 28.50 C ATOM 1506 C VAL H 154 0.995 -4.358 11.775 1.00 24.53 C ATOM 1507 O VAL H 154 0.992 -5.295 12.563 1.00 24.65 O ATOM 1508 CB VAL H 154 -1.208 -3.818 10.618 1.00 27.99 C ATOM 1509 CG1 VAL H 154 -1.340 -3.130 11.949 1.00 30.28 C ATOM 1510 CG2 VAL H 154 -1.452 -2.864 9.479 1.00 31.54 C ATOM 1511 N LEU H 155 1.672 -3.230 11.992 1.00 23.31 N ATOM 1512 CA LEU H 155 2.472 -3.020 13.211 1.00 22.32 C ATOM 1513 C LEU H 155 1.619 -3.350 14.424 1.00 20.37 C ATOM 1514 O LEU H 155 0.452 -3.005 14.461 1.00 20.79 O ATOM 1515 CB LEU H 155 2.949 -1.564 13.312 1.00 21.57 C ATOM 1516 CG LEU H 155 3.896 -1.232 14.474 1.00 21.96 C ATOM 1517 CD1 LEU H 155 5.278 -1.810 14.197 1.00 20.24 C ATOM 1518 CD2 LEU H 155 3.993 0.262 14.645 1.00 22.68 C ATOM 1519 N GLN H 156 2.204 -4.038 15.397 1.00 19.67 N ATOM 1520 CA GLN H 156 1.509 -4.434 16.629 1.00 18.97 C ATOM 1521 C GLN H 156 2.045 -3.616 17.793 1.00 18.57 C ATOM 1522 O GLN H 156 3.169 -3.130 17.742 1.00 17.93 O ATOM 1523 CB GLN H 156 1.762 -5.919 16.931 1.00 20.76 C ATOM 1524 CG GLN H 156 1.189 -6.893 15.900 1.00 21.75 C ATOM 1525 CD GLN H 156 -0.322 -6.794 15.817 1.00 22.98 C ATOM 1526 OE1 GLN H 156 -1.034 -7.161 16.755 1.00 22.86 O ATOM 1527 NE2 GLN H 156 -0.817 -6.281 14.700 1.00 23.11 N ATOM 1528 N VAL H 157 1.267 -3.519 18.864 1.00 19.53 N ATOM 1529 CA VAL H 157 1.676 -2.745 20.023 1.00 18.17 C ATOM 1530 C VAL H 157 1.225 -3.454 21.293 1.00 18.77 C ATOM 1531 O VAL H 157 0.202 -4.125 21.309 1.00 18.51 O ATOM 1532 CB VAL H 157 1.038 -1.307 19.976 1.00 19.28 C ATOM 1533 CG1 VAL H 157 -0.454 -1.409 19.930 1.00 20.45 C ATOM 1534 CG2 VAL H 157 1.406 -0.504 21.210 1.00 18.48 C ATOM 1535 N VAL H 158 2.001 -3.319 22.359 1.00 18.36 N ATOM 1536 CA VAL H 158 1.627 -3.916 23.627 1.00 19.22 C ATOM 1537 C VAL H 158 2.255 -3.087 24.737 1.00 18.71 C ATOM 1538 O VAL H 158 3.385 -2.630 24.600 1.00 18.70 O ATOM 1539 CB VAL H 158 2.116 -5.382 23.733 1.00 20.04 C ATOM 1540 CG1 VAL H 158 3.637 -5.424 23.864 1.00 19.28 C ATOM 1541 CG2 VAL H 158 1.453 -6.061 24.917 1.00 21.44 C ATOM 1542 N ASN H 159 1.519 -2.877 25.821 1.00 18.74 N ATOM 1543 CA ASN H 159 2.035 -2.107 26.954 1.00 18.30 C ATOM 1544 C ASN H 159 2.372 -3.078 28.060 1.00 18.92 C ATOM 1545 O ASN H 159 1.559 -3.926 28.391 1.00 20.48 O ATOM 1546 CB ASN H 159 0.985 -1.100 27.427 1.00 18.84 C ATOM 1547 CG ASN H 159 0.576 -0.143 26.320 1.00 20.13 C ATOM 1548 OD1 ASN H 159 1.425 0.367 25.596 1.00 15.45 O ATOM 1549 ND2 ASN H 159 -0.724 0.112 26.193 1.00 20.94 N ATOM 1550 N LEU H 160 3.560 -2.952 28.640 1.00 17.62 N ATOM 1551 CA LEU H 160 4.002 -3.886 29.677 1.00 18.32 C ATOM 1552 C LEU H 160 4.631 -3.207 30.892 1.00 16.63 C ATOM 1553 O LEU H 160 5.320 -2.187 30.761 1.00 15.49 O ATOM 1554 CB LEU H 160 5.050 -4.824 29.087 1.00 19.69 C ATOM 1555 CG LEU H 160 4.734 -5.586 27.799 1.00 21.99 C ATOM 1556 CD1 LEU H 160 5.995 -6.249 27.288 1.00 24.82 C ATOM 1557 CD2 LEU H 160 3.663 -6.641 28.088 1.00 24.35 C ATOM 1558 N PRO H 161 4.448 -3.789 32.087 1.00 16.35 N ATOM 1559 CA PRO H 161 5.055 -3.144 33.253 1.00 15.06 C ATOM 1560 C PRO H 161 6.500 -3.556 33.464 1.00 16.17 C ATOM 1561 O PRO H 161 6.883 -4.687 33.154 1.00 17.08 O ATOM 1562 CB PRO H 161 4.155 -3.592 34.415 1.00 15.33 C ATOM 1563 CG PRO H 161 3.782 -4.991 34.026 1.00 16.71 C ATOM 1564 CD PRO H 161 3.592 -4.928 32.478 1.00 15.52 C ATOM 1565 N ILE H 162 7.299 -2.629 33.979 1.00 14.57 N ATOM 1566 CA ILE H 162 8.700 -2.890 34.279 1.00 17.23 C ATOM 1567 C ILE H 162 8.661 -3.798 35.506 1.00 18.74 C ATOM 1568 O ILE H 162 7.836 -3.586 36.403 1.00 19.07 O ATOM 1569 CB ILE H 162 9.444 -1.575 34.634 1.00 16.67 C ATOM 1570 CG1 ILE H 162 9.588 -0.704 33.377 1.00 18.26 C ATOM 1571 CG2 ILE H 162 10.836 -1.887 35.209 1.00 16.35 C ATOM 1572 CD1 ILE H 162 10.260 0.625 33.640 1.00 18.46 C ATOM 1573 N VAL H 163 9.553 -4.775 35.560 1.00 18.04 N ATOM 1574 CA VAL H 163 9.579 -5.741 36.665 1.00 20.04 C ATOM 1575 C VAL H 163 10.756 -5.544 37.641 1.00 19.84 C ATOM 1576 O VAL H 163 11.855 -5.156 37.249 1.00 19.41 O ATOM 1577 CB VAL H 163 9.576 -7.205 36.081 1.00 20.38 C ATOM 1578 CG1 VAL H 163 9.707 -8.251 37.190 1.00 21.91 C ATOM 1579 CG2 VAL H 163 8.283 -7.452 35.306 1.00 20.44 C ATOM 1580 N GLU H 164 10.499 -5.804 38.920 1.00 21.18 N ATOM 1581 CA GLU H 164 11.492 -5.664 39.988 1.00 22.26 C ATOM 1582 C GLU H 164 12.742 -6.465 39.596 1.00 22.63 C ATOM 1583 O GLU H 164 12.622 -7.583 39.091 1.00 22.63 O ATOM 1584 CB GLU H 164 10.914 -6.220 41.312 1.00 25.32 C ATOM 1585 CG GLU H 164 9.431 -5.872 41.614 1.00 32.27 C ATOM 1586 CD GLU H 164 8.435 -6.602 40.713 1.00 37.11 C ATOM 1587 OE1 GLU H 164 8.465 -7.849 40.654 1.00 43.83 O ATOM 1588 OE2 GLU H 164 7.597 -5.952 40.061 1.00 39.64 O ATOM 1589 N ARG H 165 13.929 -5.911 39.827 1.00 21.67 N ATOM 1590 CA ARG H 165 15.154 -6.601 39.448 1.00 22.57 C ATOM 1591 C ARG H 165 15.339 -8.031 40.004 1.00 23.20 C ATOM 1592 O ARG H 165 15.767 -8.924 39.272 1.00 20.33 O ATOM 1593 CB ARG H 165 16.367 -5.719 39.767 1.00 24.84 C ATOM 1594 CG ARG H 165 16.378 -4.405 38.958 1.00 27.98 C ATOM 1595 CD ARG H 165 17.734 -3.656 39.004 1.00 30.72 C ATOM 1596 NE ARG H 165 18.780 -4.337 38.244 1.00 31.98 N ATOM 1597 CZ ARG H 165 18.855 -4.352 36.910 1.00 33.12 C ATOM 1598 NH1 ARG H 165 17.954 -3.720 36.172 1.00 33.02 N ATOM 1599 NH2 ARG H 165 19.827 -5.019 36.309 1.00 33.59 N ATOM 1600 N PRO H 166 15.029 -8.269 41.300 1.00 23.89 N ATOM 1601 CA PRO H 166 15.211 -9.645 41.791 1.00 22.91 C ATOM 1602 C PRO H 166 14.306 -10.655 41.106 1.00 22.91 C ATOM 1603 O PRO H 166 14.660 -11.818 40.955 1.00 25.23 O ATOM 1604 CB PRO H 166 14.957 -9.542 43.311 1.00 22.92 C ATOM 1605 CG PRO H 166 14.536 -8.127 43.563 1.00 23.99 C ATOM 1606 CD PRO H 166 15.046 -7.305 42.413 1.00 23.37 C ATOM 1607 N VAL H 167 13.132 -10.224 40.679 1.00 21.90 N ATOM 1608 CA VAL H 167 12.245 -11.128 39.980 1.00 21.84 C ATOM 1609 C VAL H 167 12.821 -11.449 38.589 1.00 21.42 C ATOM 1610 O VAL H 167 12.698 -12.574 38.113 1.00 19.88 O ATOM 1611 CB VAL H 167 10.842 -10.517 39.841 1.00 23.45 C ATOM 1612 CG1 VAL H 167 9.950 -11.422 39.007 1.00 23.38 C ATOM 1613 CG2 VAL H 167 10.244 -10.302 41.232 1.00 24.71 C ATOM 1614 N CYS H 168 13.443 -10.459 37.943 1.00 20.09 N ATOM 1615 CA CYS H 168 14.041 -10.666 36.619 1.00 17.82 C ATOM 1616 C CYS H 168 15.166 -11.699 36.742 1.00 19.35 C ATOM 1617 O CYS H 168 15.250 -12.664 35.981 1.00 16.66 O ATOM 1618 CB CYS H 168 14.648 -9.351 36.078 1.00 16.93 C ATOM 1619 SG CYS H 168 13.487 -7.965 35.877 1.00 20.96 S ATOM 1620 N LYS H 169 16.034 -11.464 37.720 1.00 22.16 N ATOM 1621 CA LYS H 169 17.183 -12.311 37.976 1.00 25.14 C ATOM 1622 C LYS H 169 16.786 -13.759 38.335 1.00 25.26 C ATOM 1623 O LYS H 169 17.413 -14.717 37.867 1.00 25.78 O ATOM 1624 CB LYS H 169 18.027 -11.660 39.081 1.00 27.71 C ATOM 1625 CG LYS H 169 19.271 -12.429 39.460 1.00 34.56 C ATOM 1626 CD LYS H 169 20.054 -11.742 40.582 1.00 36.84 C ATOM 1627 CE LYS H 169 21.165 -12.662 41.113 1.00 39.95 C ATOM 1628 NZ LYS H 169 21.895 -12.059 42.286 1.00 42.56 N ATOM 1629 N ASP H 170 15.729 -13.922 39.129 1.00 23.73 N ATOM 1630 CA ASP H 170 15.282 -15.256 39.531 1.00 22.71 C ATOM 1631 C ASP H 170 14.474 -15.996 38.481 1.00 22.72 C ATOM 1632 O ASP H 170 14.017 -17.111 38.723 1.00 21.52 O ATOM 1633 CB ASP H 170 14.459 -15.169 40.804 1.00 23.35 C ATOM 1634 CG ASP H 170 15.312 -14.940 42.015 1.00 23.00 C ATOM 1635 OD1 ASP H 170 14.756 -14.699 43.095 1.00 28.23 O ATOM 1636 OD2 ASP H 170 16.538 -15.015 41.889 1.00 24.08 O ATOM 1637 N SER H 171 14.314 -15.391 37.309 1.00 20.50 N ATOM 1638 CA SER H 171 13.529 -16.021 36.258 1.00 20.07 C ATOM 1639 C SER H 171 14.407 -16.659 35.212 1.00 19.55 C ATOM 1640 O SER H 171 13.922 -17.358 34.344 1.00 21.65 O ATOM 1641 CB SER H 171 12.633 -14.979 35.571 1.00 22.12 C ATOM 1642 OG SER H 171 13.411 -14.031 34.842 1.00 20.61 O ATOM 1643 N THR H 172 15.707 -16.421 35.282 1.00 18.74 N ATOM 1644 CA THR H 172 16.593 -16.947 34.263 1.00 19.28 C ATOM 1645 C THR H 172 17.921 -17.416 34.817 1.00 19.79 C ATOM 1646 O THR H 172 18.328 -17.007 35.906 1.00 20.89 O ATOM 1647 CB THR H 172 16.905 -15.856 33.224 1.00 19.65 C ATOM 1648 OG1 THR H 172 17.806 -16.360 32.232 1.00 19.63 O ATOM 1649 CG2 THR H 172 17.568 -14.684 33.913 1.00 21.29 C ATOM 1650 N ARG H 173 18.600 -18.248 34.032 1.00 19.88 N ATOM 1651 CA ARG H 173 19.906 -18.768 34.379 1.00 23.48 C ATOM 1652 C ARG H 173 20.988 -17.834 33.859 1.00 23.40 C ATOM 1653 O ARG H 173 22.137 -17.939 34.252 1.00 24.55 O ATOM 1654 CB ARG H 173 20.118 -20.151 33.753 1.00 26.20 C ATOM 1655 CG ARG H 173 19.016 -21.162 34.064 1.00 31.30 C ATOM 1656 CD ARG H 173 19.358 -22.544 33.488 1.00 31.49 C ATOM 1657 NE ARG H 173 20.645 -23.029 33.983 1.00 33.04 N ATOM 1658 CZ ARG H 173 21.005 -24.310 33.975 1.00 35.21 C ATOM 1659 NH1 ARG H 173 20.174 -25.230 33.495 1.00 34.64 N ATOM 1660 NH2 ARG H 173 22.184 -24.679 34.468 1.00 35.86 N ATOM 1661 N ILE H 174 20.622 -16.935 32.954 1.00 23.01 N ATOM 1662 CA ILE H 174 21.579 -16.000 32.383 1.00 23.39 C ATOM 1663 C ILE H 174 21.999 -14.920 33.373 1.00 24.13 C ATOM 1664 O ILE H 174 21.192 -14.444 34.168 1.00 24.49 O ATOM 1665 CB ILE H 174 20.986 -15.356 31.105 1.00 25.16 C ATOM 1666 CG1 ILE H 174 20.822 -16.445 30.038 1.00 27.86 C ATOM 1667 CG2 ILE H 174 21.901 -14.258 30.590 1.00 25.09 C ATOM 1668 CD1 ILE H 174 20.031 -16.034 28.835 1.00 32.69 C ATOM 1669 N ARG H 175 23.265 -14.535 33.344 1.00 23.16 N ATOM 1670 CA ARG H 175 23.730 -13.497 34.256 1.00 25.10 C ATOM 1671 C ARG H 175 23.299 -12.083 33.789 1.00 25.31 C ATOM 1672 O ARG H 175 23.761 -11.599 32.756 1.00 23.97 O ATOM 1673 CB ARG H 175 25.255 -13.559 34.375 1.00 26.66 C ATOM 1674 CG ARG H 175 25.821 -12.492 35.275 1.00 30.37 C ATOM 1675 CD ARG H 175 27.321 -12.637 35.470 1.00 33.22 C ATOM 1676 NE ARG H 175 28.005 -11.416 35.064 1.00 38.34 N ATOM 1677 CZ ARG H 175 28.258 -11.099 33.802 1.00 37.39 C ATOM 1678 NH1 ARG H 175 27.895 -11.918 32.837 1.00 40.47 N ATOM 1679 NH2 ARG H 175 28.850 -9.958 33.505 1.00 39.91 N ATOM 1680 N ILE H 176 22.451 -11.424 34.579 1.00 25.29 N ATOM 1681 CA ILE H 176 21.929 -10.087 34.279 1.00 27.17 C ATOM 1682 C ILE H 176 22.859 -8.949 34.728 1.00 26.01 C ATOM 1683 O ILE H 176 23.525 -9.055 35.752 1.00 28.38 O ATOM 1684 CB ILE H 176 20.536 -9.929 34.945 1.00 28.06 C ATOM 1685 CG1 ILE H 176 19.620 -11.033 34.440 1.00 28.28 C ATOM 1686 CG2 ILE H 176 19.897 -8.607 34.590 1.00 33.99 C ATOM 1687 CD1 ILE H 176 19.615 -11.193 32.947 1.00 25.70 C ATOM 1688 N THR H 177 22.917 -7.861 33.971 1.00 22.90 N ATOM 1689 CA THR H 177 23.772 -6.736 34.355 1.00 19.74 C ATOM 1690 C THR H 177 22.936 -5.482 34.582 1.00 20.17 C ATOM 1691 O THR H 177 21.721 -5.466 34.357 1.00 19.27 O ATOM 1692 CB THR H 177 24.799 -6.384 33.260 1.00 20.14 C ATOM 1693 OG1 THR H 177 24.105 -5.957 32.072 1.00 16.82 O ATOM 1694 CG2 THR H 177 25.672 -7.585 32.937 1.00 17.47 C ATOM 1695 N ASP H 178 23.600 -4.425 35.025 1.00 18.66 N ATOM 1696 CA ASP H 178 22.925 -3.161 35.255 1.00 18.99 C ATOM 1697 C ASP H 178 22.515 -2.519 33.925 1.00 17.67 C ATOM 1698 O ASP H 178 21.738 -1.572 33.920 1.00 17.63 O ATOM 1699 CB ASP H 178 23.843 -2.201 35.995 1.00 21.23 C ATOM 1700 CG ASP H 178 24.092 -2.617 37.440 1.00 24.13 C ATOM 1701 OD1 ASP H 178 23.320 -3.434 37.996 1.00 20.25 O ATOM 1702 OD2 ASP H 178 25.062 -2.088 38.011 1.00 26.03 O ATOM 1703 N ASN H 179 23.028 -3.034 32.809 1.00 16.36 N ATOM 1704 CA ASN H 179 22.705 -2.471 31.485 1.00 16.53 C ATOM 1705 C ASN H 179 21.460 -3.063 30.836 1.00 15.48 C ATOM 1706 O ASN H 179 21.216 -2.889 29.638 1.00 14.66 O ATOM 1707 CB ASN H 179 23.900 -2.622 30.548 1.00 13.31 C ATOM 1708 CG ASN H 179 25.148 -1.965 31.100 1.00 18.43 C ATOM 1709 OD1 ASN H 179 25.133 -0.780 31.423 1.00 19.41 O ATOM 1710 ND2 ASN H 179 26.245 -2.730 31.203 1.00 18.49 N ATOM 1711 N MET H 180 20.681 -3.788 31.620 1.00 16.86 N ATOM 1712 CA MET H 180 19.442 -4.367 31.117 1.00 18.42 C ATOM 1713 C MET H 180 18.399 -4.314 32.222 1.00 19.82 C ATOM 1714 O MET H 180 18.750 -4.190 33.404 1.00 21.44 O ATOM 1715 CB MET H 180 19.631 -5.841 30.668 1.00 21.79 C ATOM 1716 CG MET H 180 20.904 -6.550 31.128 1.00 20.55 C ATOM 1717 SD MET H 180 20.922 -8.352 30.810 1.00 21.17 S ATOM 1718 CE MET H 180 22.489 -8.558 30.039 1.00 18.46 C ATOM 1719 N PHE H 181 17.127 -4.352 31.831 1.00 17.12 N ATOM 1720 CA PHE H 181 16.017 -4.404 32.772 1.00 16.80 C ATOM 1721 C PHE H 181 15.011 -5.361 32.119 1.00 17.81 C ATOM 1722 O PHE H 181 15.099 -5.627 30.901 1.00 15.47 O ATOM 1723 CB PHE H 181 15.407 -2.999 33.041 1.00 16.34 C ATOM 1724 CG PHE H 181 14.759 -2.331 31.836 1.00 15.43 C ATOM 1725 CD1 PHE H 181 13.424 -2.568 31.519 1.00 16.58 C ATOM 1726 CD2 PHE H 181 15.484 -1.439 31.043 1.00 15.89 C ATOM 1727 CE1 PHE H 181 12.809 -1.932 30.433 1.00 18.07 C ATOM 1728 CE2 PHE H 181 14.883 -0.785 29.944 1.00 16.81 C ATOM 1729 CZ PHE H 181 13.549 -1.029 29.641 1.00 16.39 C ATOM 1730 N CYS H 182 14.089 -5.932 32.889 1.00 15.90 N ATOM 1731 CA CYS H 182 13.124 -6.823 32.241 1.00 17.52 C ATOM 1732 C CYS H 182 11.707 -6.284 32.424 1.00 17.39 C ATOM 1733 O CYS H 182 11.471 -5.418 33.270 1.00 18.10 O ATOM 1734 CB CYS H 182 13.247 -8.263 32.742 1.00 17.90 C ATOM 1735 SG CYS H 182 12.253 -8.699 34.200 1.00 21.61 S ATOM 1736 N ALA H 183 10.783 -6.763 31.598 1.00 16.30 N ATOM 1737 CA ALA H 183 9.403 -6.300 31.638 1.00 17.60 C ATOM 1738 C ALA H 183 8.389 -7.357 31.208 1.00 16.73 C ATOM 1739 O ALA H 183 8.692 -8.257 30.417 1.00 17.02 O ATOM 1740 CB ALA H 183 9.258 -5.026 30.755 1.00 16.02 C ATOM 1741 N GLY H 184 7.170 -7.214 31.718 1.00 17.95 N ATOM 1742 CA GLY H 184 6.103 -8.148 31.408 1.00 16.71 C ATOM 1743 C GLY H 184 5.262 -8.435 32.637 1.00 20.08 C ATOM 1744 O GLY H 184 5.610 -8.049 33.755 1.00 19.60 O ATOM 1745 N TYR H 184A 4.125 -9.085 32.436 1.00 21.88 N ATOM 1746 CA TYR H 184A 3.263 -9.417 33.550 1.00 24.15 C ATOM 1747 C TYR H 184A 3.719 -10.704 34.242 1.00 27.22 C ATOM 1748 O TYR H 184A 4.368 -11.555 33.634 1.00 27.06 O ATOM 1749 CB TYR H 184A 1.832 -9.579 33.054 1.00 25.44 C ATOM 1750 CG TYR H 184A 1.220 -8.277 32.576 1.00 26.47 C ATOM 1751 CD1 TYR H 184A 1.095 -8.000 31.214 1.00 26.04 C ATOM 1752 CD2 TYR H 184A 0.770 -7.318 33.490 1.00 25.20 C ATOM 1753 CE1 TYR H 184A 0.530 -6.801 30.775 1.00 25.30 C ATOM 1754 CE2 TYR H 184A 0.204 -6.121 33.057 1.00 25.99 C ATOM 1755 CZ TYR H 184A 0.087 -5.879 31.700 1.00 25.37 C ATOM 1756 OH TYR H 184A -0.510 -4.726 31.266 1.00 27.43 O ATOM 1757 N LYS H 185 3.401 -10.822 35.525 1.00 28.87 N ATOM 1758 CA LYS H 185 3.739 -12.016 36.296 1.00 32.23 C ATOM 1759 C LYS H 185 2.611 -13.020 36.057 1.00 34.93 C ATOM 1760 O LYS H 185 1.493 -12.630 35.711 1.00 35.46 O ATOM 1761 CB LYS H 185 3.833 -11.674 37.788 1.00 30.76 C ATOM 1762 CG LYS H 185 4.723 -10.491 38.046 1.00 30.89 C ATOM 1763 CD LYS H 185 4.990 -10.224 39.502 1.00 33.94 C ATOM 1764 CE LYS H 185 5.966 -9.052 39.629 1.00 35.14 C ATOM 1765 NZ LYS H 185 6.280 -8.692 41.046 1.00 38.62 N ATOM 1766 N PRO H 186 2.885 -14.322 36.250 1.00 37.50 N ATOM 1767 CA PRO H 186 1.872 -15.361 36.042 1.00 39.46 C ATOM 1768 C PRO H 186 0.505 -15.068 36.655 1.00 40.81 C ATOM 1769 O PRO H 186 -0.516 -15.386 36.056 1.00 41.90 O ATOM 1770 CB PRO H 186 2.521 -16.603 36.653 1.00 39.27 C ATOM 1771 CG PRO H 186 3.981 -16.357 36.437 1.00 39.12 C ATOM 1772 CD PRO H 186 4.113 -14.905 36.822 1.00 37.39 C ATOM 1773 N ASP H 186A 0.472 -14.442 37.828 1.00 43.09 N ATOM 1774 CA ASP H 186A -0.806 -14.175 38.481 1.00 46.27 C ATOM 1775 C ASP H 186A -1.441 -12.801 38.296 1.00 47.71 C ATOM 1776 O ASP H 186A -2.407 -12.482 38.997 1.00 48.23 O ATOM 1777 CB ASP H 186A -0.694 -14.441 39.982 1.00 49.18 C ATOM 1778 CG ASP H 186A 0.366 -13.584 40.644 1.00 52.37 C ATOM 1779 OD1 ASP H 186A 1.570 -13.880 40.447 1.00 54.72 O ATOM 1780 OD2 ASP H 186A -0.004 -12.615 41.351 1.00 52.83 O ATOM 1781 N GLU H 186B -0.929 -11.988 37.374 1.00 47.36 N ATOM 1782 CA GLU H 186B -1.504 -10.663 37.174 1.00 46.88 C ATOM 1783 C GLU H 186B -2.630 -10.696 36.168 1.00 46.70 C ATOM 1784 O GLU H 186B -3.251 -9.674 35.885 1.00 47.88 O ATOM 1785 CB GLU H 186B -0.438 -9.658 36.728 1.00 47.27 C ATOM 1786 CG GLU H 186B 0.532 -9.258 37.834 1.00 47.50 C ATOM 1787 CD GLU H 186B 1.517 -8.191 37.395 1.00 47.68 C ATOM 1788 OE1 GLU H 186B 2.253 -8.426 36.420 1.00 47.55 O ATOM 1789 OE2 GLU H 186B 1.560 -7.116 38.029 1.00 48.51 O ATOM 1790 N GLY H 186C -2.894 -11.874 35.621 1.00 46.27 N ATOM 1791 CA GLY H 186C -3.977 -11.992 34.662 1.00 45.33 C ATOM 1792 C GLY H 186C -3.622 -11.667 33.223 1.00 44.87 C ATOM 1793 O GLY H 186C -3.642 -12.555 32.369 1.00 46.44 O ATOM 1794 N LYS H 186D -3.286 -10.407 32.947 1.00 43.00 N ATOM 1795 CA LYS H 186D -2.955 -9.987 31.582 1.00 39.67 C ATOM 1796 C LYS H 186D -1.599 -10.516 31.150 1.00 36.96 C ATOM 1797 O LYS H 186D -0.803 -10.931 31.981 1.00 36.99 O ATOM 1798 CB LYS H 186D -2.955 -8.459 31.489 1.00 40.74 C ATOM 1799 CG LYS H 186D -4.096 -7.787 32.244 1.00 42.85 C ATOM 1800 CD LYS H 186D -4.075 -6.274 32.087 1.00 45.17 C ATOM 1801 CE LYS H 186D -4.453 -5.840 30.665 1.00 47.24 C ATOM 1802 NZ LYS H 186D -3.569 -6.420 29.603 1.00 47.88 N ATOM 1803 N ARG H 187 -1.340 -10.510 29.847 1.00 34.44 N ATOM 1804 CA ARG H 187 -0.057 -10.973 29.335 1.00 33.01 C ATOM 1805 C ARG H 187 0.465 -10.192 28.119 1.00 29.92 C ATOM 1806 O ARG H 187 0.001 -9.088 27.844 1.00 29.21 O ATOM 1807 CB ARG H 187 -0.128 -12.472 29.043 1.00 35.67 C ATOM 1808 CG ARG H 187 -1.284 -12.932 28.180 1.00 37.63 C ATOM 1809 CD ARG H 187 -1.460 -14.454 28.325 1.00 37.71 C ATOM 1810 NE ARG H 187 -0.205 -15.184 28.140 1.00 37.61 N ATOM 1811 CZ ARG H 187 0.269 -16.077 29.007 1.00 39.11 C ATOM 1812 NH1 ARG H 187 -0.407 -16.359 30.116 1.00 36.97 N ATOM 1813 NH2 ARG H 187 1.434 -16.670 28.785 1.00 38.36 N ATOM 1814 N GLY H 188 1.447 -10.748 27.412 1.00 27.22 N ATOM 1815 CA GLY H 188 2.011 -10.063 26.254 1.00 23.45 C ATOM 1816 C GLY H 188 3.532 -10.020 26.322 1.00 21.87 C ATOM 1817 O GLY H 188 4.109 -9.998 27.415 1.00 20.86 O ATOM 1818 N ASP H 189 4.183 -9.957 25.162 1.00 19.38 N ATOM 1819 CA ASP H 189 5.632 -9.973 25.117 1.00 19.68 C ATOM 1820 C ASP H 189 6.062 -9.631 23.693 1.00 20.47 C ATOM 1821 O ASP H 189 5.235 -9.599 22.782 1.00 18.92 O ATOM 1822 CB ASP H 189 6.098 -11.395 25.459 1.00 20.55 C ATOM 1823 CG ASP H 189 7.580 -11.484 25.815 1.00 24.58 C ATOM 1824 OD1 ASP H 189 8.035 -12.636 26.070 1.00 23.19 O ATOM 1825 OD2 ASP H 189 8.281 -10.439 25.854 1.00 21.78 O ATOM 1826 N ALA H 190 7.345 -9.343 23.516 1.00 19.31 N ATOM 1827 CA ALA H 190 7.874 -9.107 22.181 1.00 21.18 C ATOM 1828 C ALA H 190 8.257 -10.530 21.736 1.00 21.99 C ATOM 1829 O ALA H 190 8.237 -11.464 22.547 1.00 21.70 O ATOM 1830 CB ALA H 190 9.109 -8.209 22.236 1.00 20.18 C ATOM 1831 N CYS H 191 8.600 -10.709 20.472 1.00 23.43 N ATOM 1832 CA CYS H 191 8.976 -12.040 19.990 1.00 23.94 C ATOM 1833 C CYS H 191 9.973 -11.896 18.841 1.00 24.77 C ATOM 1834 O CYS H 191 10.434 -10.784 18.540 1.00 22.12 O ATOM 1835 CB CYS H 191 7.727 -12.794 19.512 1.00 25.89 C ATOM 1836 SG CYS H 191 7.899 -14.638 19.335 1.00 27.23 S ATOM 1837 N GLU H 192 10.302 -13.020 18.206 1.00 24.49 N ATOM 1838 CA GLU H 192 11.239 -13.042 17.086 1.00 25.55 C ATOM 1839 C GLU H 192 10.789 -12.022 16.069 1.00 22.75 C ATOM 1840 O GLU H 192 9.614 -11.977 15.744 1.00 24.08 O ATOM 1841 CB GLU H 192 11.224 -14.414 16.423 1.00 30.89 C ATOM 1842 CG GLU H 192 12.496 -14.773 15.723 1.00 38.43 C ATOM 1843 CD GLU H 192 13.575 -15.197 16.709 1.00 43.05 C ATOM 1844 OE1 GLU H 192 13.296 -16.095 17.542 1.00 44.54 O ATOM 1845 OE2 GLU H 192 14.698 -14.636 16.641 1.00 45.73 O ATOM 1846 N GLY H 193 11.720 -11.233 15.550 1.00 20.77 N ATOM 1847 CA GLY H 193 11.386 -10.205 14.574 1.00 20.69 C ATOM 1848 C GLY H 193 11.209 -8.827 15.208 1.00 19.44 C ATOM 1849 O GLY H 193 11.358 -7.815 14.548 1.00 20.20 O ATOM 1850 N ASP H 194 10.900 -8.794 16.500 1.00 19.76 N ATOM 1851 CA ASP H 194 10.722 -7.534 17.234 1.00 18.07 C ATOM 1852 C ASP H 194 12.048 -6.963 17.749 1.00 18.60 C ATOM 1853 O ASP H 194 12.109 -5.791 18.157 1.00 18.04 O ATOM 1854 CB ASP H 194 9.779 -7.761 18.418 1.00 18.17 C ATOM 1855 CG ASP H 194 8.343 -8.047 17.974 1.00 19.28 C ATOM 1856 OD1 ASP H 194 7.641 -8.817 18.671 1.00 18.91 O ATOM 1857 OD2 ASP H 194 7.917 -7.491 16.937 1.00 19.06 O ATOM 1858 N SER H 195 13.098 -7.791 17.748 1.00 17.76 N ATOM 1859 CA SER H 195 14.442 -7.390 18.224 1.00 17.46 C ATOM 1860 C SER H 195 14.901 -6.057 17.694 1.00 15.13 C ATOM 1861 O SER H 195 14.756 -5.771 16.501 1.00 12.32 O ATOM 1862 CB SER H 195 15.543 -8.379 17.772 1.00 18.86 C ATOM 1863 OG SER H 195 15.339 -9.669 18.249 1.00 24.20 O ATOM 1864 N GLY H 196 15.554 -5.290 18.561 1.00 12.34 N ATOM 1865 CA GLY H 196 16.073 -4.001 18.141 1.00 11.98 C ATOM 1866 C GLY H 196 15.063 -2.880 18.212 1.00 10.80 C ATOM 1867 O GLY H 196 15.445 -1.724 18.126 1.00 13.56 O ATOM 1868 N GLY H 197 13.789 -3.224 18.381 1.00 13.64 N ATOM 1869 CA GLY H 197 12.726 -2.229 18.478 1.00 11.94 C ATOM 1870 C GLY H 197 12.715 -1.438 19.781 1.00 13.54 C ATOM 1871 O GLY H 197 13.330 -1.828 20.751 1.00 12.62 O ATOM 1872 N PRO H 198 11.961 -0.336 19.847 1.00 14.25 N ATOM 1873 CA PRO H 198 11.892 0.515 21.040 1.00 13.68 C ATOM 1874 C PRO H 198 10.929 0.191 22.150 1.00 14.10 C ATOM 1875 O PRO H 198 9.810 -0.256 21.904 1.00 15.05 O ATOM 1876 CB PRO H 198 11.579 1.886 20.437 1.00 15.65 C ATOM 1877 CG PRO H 198 10.549 1.502 19.365 1.00 14.16 C ATOM 1878 CD PRO H 198 11.154 0.223 18.747 1.00 14.98 C ATOM 1879 N PHE H 199 11.373 0.399 23.390 1.00 12.18 N ATOM 1880 CA PHE H 199 10.491 0.239 24.539 1.00 10.28 C ATOM 1881 C PHE H 199 10.369 1.718 24.955 1.00 9.63 C ATOM 1882 O PHE H 199 11.336 2.334 25.372 1.00 8.95 O ATOM 1883 CB PHE H 199 11.156 -0.585 25.646 1.00 9.33 C ATOM 1884 CG PHE H 199 10.361 -0.636 26.923 1.00 12.88 C ATOM 1885 CD1 PHE H 199 9.581 -1.733 27.231 1.00 14.01 C ATOM 1886 CD2 PHE H 199 10.419 0.425 27.835 1.00 14.61 C ATOM 1887 CE1 PHE H 199 8.860 -1.790 28.451 1.00 17.29 C ATOM 1888 CE2 PHE H 199 9.711 0.384 29.039 1.00 16.12 C ATOM 1889 CZ PHE H 199 8.923 -0.742 29.349 1.00 14.66 C ATOM 1890 N VAL H 200 9.190 2.303 24.839 1.00 10.62 N ATOM 1891 CA VAL H 200 9.080 3.724 25.155 1.00 11.20 C ATOM 1892 C VAL H 200 8.129 4.026 26.289 1.00 11.60 C ATOM 1893 O VAL H 200 7.292 3.212 26.645 1.00 12.85 O ATOM 1894 CB VAL H 200 8.587 4.528 23.924 1.00 11.94 C ATOM 1895 CG1 VAL H 200 9.558 4.397 22.774 1.00 11.06 C ATOM 1896 CG2 VAL H 200 7.201 4.040 23.514 1.00 11.53 C ATOM 1897 N MET H 201 8.225 5.233 26.815 1.00 11.35 N ATOM 1898 CA MET H 201 7.330 5.654 27.896 1.00 12.87 C ATOM 1899 C MET H 201 6.997 7.119 27.668 1.00 12.34 C ATOM 1900 O MET H 201 7.812 7.853 27.120 1.00 12.11 O ATOM 1901 CB MET H 201 8.025 5.488 29.269 1.00 13.17 C ATOM 1902 CG MET H 201 8.418 4.036 29.605 1.00 14.90 C ATOM 1903 SD MET H 201 9.292 3.888 31.203 1.00 17.10 S ATOM 1904 CE MET H 201 7.926 3.453 32.266 1.00 16.97 C ATOM 1905 N LYS H 202 5.809 7.546 28.084 1.00 14.62 N ATOM 1906 CA LYS H 202 5.426 8.950 27.900 1.00 15.49 C ATOM 1907 C LYS H 202 5.621 9.690 29.208 1.00 15.78 C ATOM 1908 O LYS H 202 5.101 9.259 30.235 1.00 17.57 O ATOM 1909 CB LYS H 202 3.966 9.049 27.464 1.00 14.68 C ATOM 1910 CG LYS H 202 3.484 10.484 27.219 1.00 15.79 C ATOM 1911 CD LYS H 202 2.161 10.468 26.447 1.00 15.90 C ATOM 1912 CE LYS H 202 1.690 11.888 26.133 1.00 17.26 C ATOM 1913 NZ LYS H 202 0.480 11.870 25.287 1.00 18.30 N ATOM 1914 N SER H 203 6.378 10.783 29.184 1.00 16.39 N ATOM 1915 CA SER H 203 6.604 11.549 30.410 1.00 17.85 C ATOM 1916 C SER H 203 5.345 12.294 30.827 1.00 18.14 C ATOM 1917 O SER H 203 4.722 12.989 30.019 1.00 15.52 O ATOM 1918 CB SER H 203 7.734 12.565 30.216 1.00 19.53 C ATOM 1919 OG SER H 203 7.795 13.490 31.307 1.00 21.23 O ATOM 1920 N PRO H 204 4.938 12.149 32.097 1.00 18.90 N ATOM 1921 CA PRO H 204 3.731 12.888 32.481 1.00 18.44 C ATOM 1922 C PRO H 204 4.103 14.347 32.795 1.00 19.61 C ATOM 1923 O PRO H 204 3.233 15.201 32.987 1.00 20.61 O ATOM 1924 CB PRO H 204 3.228 12.121 33.705 1.00 19.19 C ATOM 1925 CG PRO H 204 4.554 11.650 34.352 1.00 20.91 C ATOM 1926 CD PRO H 204 5.387 11.227 33.157 1.00 18.25 C ATOM 1927 N PHE H 204A 5.396 14.632 32.837 1.00 18.29 N ATOM 1928 CA PHE H 204A 5.859 15.983 33.129 1.00 19.20 C ATOM 1929 C PHE H 204A 5.810 16.882 31.898 1.00 20.12 C ATOM 1930 O PHE H 204A 5.357 18.026 31.981 1.00 17.66 O ATOM 1931 CB PHE H 204A 7.288 15.940 33.676 1.00 20.37 C ATOM 1932 CG PHE H 204A 7.458 15.004 34.846 1.00 23.19 C ATOM 1933 CD1 PHE H 204A 7.023 15.364 36.115 1.00 24.23 C ATOM 1934 CD2 PHE H 204A 8.022 13.744 34.672 1.00 25.51 C ATOM 1935 CE1 PHE H 204A 7.143 14.489 37.197 1.00 22.74 C ATOM 1936 CE2 PHE H 204A 8.141 12.855 35.758 1.00 25.50 C ATOM 1937 CZ PHE H 204A 7.695 13.241 37.018 1.00 24.72 C ATOM 1938 N ASN H 204B 6.267 16.379 30.749 1.00 18.04 N ATOM 1939 CA ASN H 204B 6.268 17.221 29.553 1.00 18.24 C ATOM 1940 C ASN H 204B 5.584 16.635 28.344 1.00 19.61 C ATOM 1941 O ASN H 204B 5.718 17.165 27.245 1.00 18.37 O ATOM 1942 CB ASN H 204B 7.693 17.611 29.180 1.00 16.76 C ATOM 1943 CG ASN H 204B 8.564 16.412 28.836 1.00 18.31 C ATOM 1944 OD1 ASN H 204B 9.791 16.536 28.726 1.00 19.44 O ATOM 1945 ND2 ASN H 204B 7.942 15.249 28.669 1.00 13.30 N ATOM 1946 N ASN H 205 4.848 15.549 28.554 1.00 20.51 N ATOM 1947 CA ASN H 205 4.113 14.875 27.495 1.00 21.29 C ATOM 1948 C ASN H 205 4.890 14.340 26.314 1.00 20.01 C ATOM 1949 O ASN H 205 4.302 14.089 25.269 1.00 20.71 O ATOM 1950 CB ASN H 205 3.009 15.774 26.970 1.00 27.58 C ATOM 1951 CG ASN H 205 1.687 15.425 27.561 1.00 31.55 C ATOM 1952 OD1 ASN H 205 1.463 15.618 28.764 1.00 33.86 O ATOM 1953 ND2 ASN H 205 0.797 14.868 26.735 1.00 36.42 N ATOM 1954 N ARG H 206 6.193 14.151 26.470 1.00 17.35 N ATOM 1955 CA ARG H 206 7.003 13.637 25.377 1.00 18.57 C ATOM 1956 C ARG H 206 7.270 12.137 25.506 1.00 15.63 C ATOM 1957 O ARG H 206 7.279 11.592 26.608 1.00 14.81 O ATOM 1958 CB ARG H 206 8.341 14.371 25.315 1.00 18.40 C ATOM 1959 CG ARG H 206 8.278 15.808 24.836 1.00 22.84 C ATOM 1960 CD ARG H 206 9.667 16.427 24.938 1.00 26.61 C ATOM 1961 NE ARG H 206 9.859 17.549 24.019 1.00 33.12 N ATOM 1962 CZ ARG H 206 9.702 18.819 24.353 1.00 35.23 C ATOM 1963 NH1 ARG H 206 9.341 19.130 25.594 1.00 37.68 N ATOM 1964 NH2 ARG H 206 9.925 19.778 23.463 1.00 32.68 N ATOM 1965 N TRP H 207 7.470 11.468 24.378 1.00 13.12 N ATOM 1966 CA TRP H 207 7.781 10.037 24.420 1.00 12.72 C ATOM 1967 C TRP H 207 9.297 9.858 24.474 1.00 12.20 C ATOM 1968 O TRP H 207 10.026 10.507 23.737 1.00 11.53 O ATOM 1969 CB TRP H 207 7.204 9.308 23.200 1.00 13.68 C ATOM 1970 CG TRP H 207 5.678 9.163 23.247 1.00 12.60 C ATOM 1971 CD1 TRP H 207 4.758 10.058 22.783 1.00 12.06 C ATOM 1972 CD2 TRP H 207 4.927 8.057 23.779 1.00 12.43 C ATOM 1973 NE1 TRP H 207 3.493 9.583 22.985 1.00 12.67 N ATOM 1974 CE2 TRP H 207 3.563 8.356 23.594 1.00 12.58 C ATOM 1975 CE3 TRP H 207 5.277 6.849 24.394 1.00 12.58 C ATOM 1976 CZ2 TRP H 207 2.543 7.493 23.998 1.00 12.49 C ATOM 1977 CZ3 TRP H 207 4.253 5.982 24.802 1.00 13.58 C ATOM 1978 CH2 TRP H 207 2.903 6.318 24.598 1.00 14.39 C ATOM 1979 N TYR H 208 9.759 8.991 25.369 1.00 10.15 N ATOM 1980 CA TYR H 208 11.176 8.730 25.535 1.00 12.36 C ATOM 1981 C TYR H 208 11.455 7.246 25.321 1.00 11.88 C ATOM 1982 O TYR H 208 10.700 6.400 25.790 1.00 12.59 O ATOM 1983 CB TYR H 208 11.620 9.086 26.977 1.00 12.23 C ATOM 1984 CG TYR H 208 11.688 10.576 27.256 1.00 11.03 C ATOM 1985 CD1 TYR H 208 12.813 11.303 26.916 1.00 8.97 C ATOM 1986 CD2 TYR H 208 10.608 11.253 27.820 1.00 12.30 C ATOM 1987 CE1 TYR H 208 12.880 12.688 27.124 1.00 13.22 C ATOM 1988 CE2 TYR H 208 10.661 12.655 28.031 1.00 13.46 C ATOM 1989 CZ TYR H 208 11.801 13.351 27.679 1.00 13.42 C ATOM 1990 OH TYR H 208 11.875 14.706 27.888 1.00 17.06 O ATOM 1991 N GLN H 209 12.541 6.933 24.628 1.00 13.01 N ATOM 1992 CA GLN H 209 12.899 5.530 24.440 1.00 11.99 C ATOM 1993 C GLN H 209 13.760 5.119 25.635 1.00 12.91 C ATOM 1994 O GLN H 209 14.880 5.582 25.768 1.00 12.62 O ATOM 1995 CB GLN H 209 13.711 5.321 23.168 1.00 11.89 C ATOM 1996 CG GLN H 209 14.108 3.851 23.032 1.00 12.94 C ATOM 1997 CD GLN H 209 14.588 3.475 21.651 1.00 12.38 C ATOM 1998 OE1 GLN H 209 14.661 4.320 20.723 1.00 13.07 O ATOM 1999 NE2 GLN H 209 14.944 2.204 21.500 1.00 11.31 N ATOM 2000 N MET H 210 13.245 4.235 26.484 1.00 12.27 N ATOM 2001 CA MET H 210 13.984 3.797 27.669 1.00 12.52 C ATOM 2002 C MET H 210 14.729 2.470 27.426 1.00 13.39 C ATOM 2003 O MET H 210 15.717 2.170 28.100 1.00 13.16 O ATOM 2004 CB MET H 210 13.000 3.633 28.835 1.00 13.20 C ATOM 2005 CG MET H 210 12.085 4.840 29.051 1.00 14.55 C ATOM 2006 SD MET H 210 13.067 6.247 29.435 1.00 22.08 S ATOM 2007 CE MET H 210 13.553 5.833 31.080 1.00 22.44 C ATOM 2008 N GLY H 211 14.271 1.676 26.457 1.00 12.40 N ATOM 2009 CA GLY H 211 14.937 0.400 26.221 1.00 12.03 C ATOM 2010 C GLY H 211 14.915 -0.060 24.774 1.00 11.69 C ATOM 2011 O GLY H 211 14.283 0.580 23.937 1.00 10.65 O ATOM 2012 N ILE H 212 15.640 -1.142 24.488 1.00 11.52 N ATOM 2013 CA ILE H 212 15.684 -1.741 23.144 1.00 11.55 C ATOM 2014 C ILE H 212 15.370 -3.219 23.343 1.00 12.62 C ATOM 2015 O ILE H 212 15.924 -3.826 24.241 1.00 13.81 O ATOM 2016 CB ILE H 212 17.073 -1.633 22.527 1.00 10.64 C ATOM 2017 CG1 ILE H 212 17.440 -0.158 22.309 1.00 11.58 C ATOM 2018 CG2 ILE H 212 17.114 -2.360 21.171 1.00 11.09 C ATOM 2019 CD1 ILE H 212 18.966 0.045 22.107 1.00 12.03 C ATOM 2020 N VAL H 213 14.467 -3.793 22.551 1.00 12.09 N ATOM 2021 CA VAL H 213 14.156 -5.213 22.683 1.00 11.64 C ATOM 2022 C VAL H 213 15.472 -5.987 22.475 1.00 14.13 C ATOM 2023 O VAL H 213 16.081 -5.925 21.395 1.00 10.37 O ATOM 2024 CB VAL H 213 13.095 -5.660 21.631 1.00 15.04 C ATOM 2025 CG1 VAL H 213 12.797 -7.153 21.784 1.00 14.50 C ATOM 2026 CG2 VAL H 213 11.797 -4.843 21.796 1.00 14.25 C ATOM 2027 N SER H 214 15.890 -6.731 23.508 1.00 13.78 N ATOM 2028 CA SER H 214 17.147 -7.471 23.462 1.00 14.91 C ATOM 2029 C SER H 214 16.957 -8.985 23.372 1.00 16.53 C ATOM 2030 O SER H 214 17.197 -9.574 22.314 1.00 16.42 O ATOM 2031 CB SER H 214 18.003 -7.105 24.690 1.00 14.35 C ATOM 2032 OG SER H 214 19.346 -7.526 24.547 1.00 14.68 O ATOM 2033 N TRP H 215 16.519 -9.618 24.458 1.00 16.58 N ATOM 2034 CA TRP H 215 16.316 -11.064 24.441 1.00 18.99 C ATOM 2035 C TRP H 215 15.224 -11.537 25.397 1.00 21.28 C ATOM 2036 O TRP H 215 14.756 -10.782 26.255 1.00 21.01 O ATOM 2037 CB TRP H 215 17.635 -11.785 24.789 1.00 16.83 C ATOM 2038 CG TRP H 215 18.222 -11.372 26.132 1.00 17.28 C ATOM 2039 CD1 TRP H 215 19.007 -10.276 26.394 1.00 15.73 C ATOM 2040 CD2 TRP H 215 18.048 -12.048 27.391 1.00 16.15 C ATOM 2041 NE1 TRP H 215 19.332 -10.237 27.737 1.00 14.75 N ATOM 2042 CE2 TRP H 215 18.753 -11.312 28.366 1.00 17.59 C ATOM 2043 CE3 TRP H 215 17.363 -13.204 27.781 1.00 17.58 C ATOM 2044 CZ2 TRP H 215 18.794 -11.697 29.716 1.00 16.83 C ATOM 2045 CZ3 TRP H 215 17.404 -13.588 29.134 1.00 18.27 C ATOM 2046 CH2 TRP H 215 18.115 -12.834 30.073 1.00 16.85 C ATOM 2047 N GLY H 216 14.823 -12.798 25.239 1.00 21.95 N ATOM 2048 CA GLY H 216 13.814 -13.391 26.105 1.00 23.94 C ATOM 2049 C GLY H 216 13.779 -14.905 25.895 1.00 26.06 C ATOM 2050 O GLY H 216 14.150 -15.382 24.838 1.00 27.51 O ATOM 2051 N GLU H 217 13.319 -15.667 26.877 1.00 27.51 N ATOM 2052 CA GLU H 217 13.273 -17.131 26.749 1.00 28.10 C ATOM 2053 C GLU H 217 11.904 -17.589 26.260 1.00 27.21 C ATOM 2054 O GLU H 217 10.958 -17.708 27.033 1.00 28.69 O ATOM 2055 CB GLU H 217 13.633 -17.743 28.098 1.00 29.75 C ATOM 2056 CG GLU H 217 15.009 -17.278 28.555 1.00 33.09 C ATOM 2057 CD GLU H 217 15.350 -17.653 29.990 1.00 36.49 C ATOM 2058 OE1 GLU H 217 16.390 -17.182 30.476 1.00 38.44 O ATOM 2059 OE2 GLU H 217 14.597 -18.411 30.638 1.00 39.62 O ATOM 2060 N GLY H 219 11.811 -17.854 24.958 1.00 26.91 N ATOM 2061 CA GLY H 219 10.534 -18.214 24.364 1.00 26.74 C ATOM 2062 C GLY H 219 9.819 -16.882 24.183 1.00 27.16 C ATOM 2063 O GLY H 219 10.478 -15.830 24.165 1.00 25.69 O ATOM 2064 N CYS H 220 8.496 -16.902 24.044 1.00 27.05 N ATOM 2065 CA CYS H 220 7.724 -15.668 23.908 1.00 27.33 C ATOM 2066 C CYS H 220 6.464 -15.798 24.718 1.00 29.41 C ATOM 2067 O CYS H 220 5.714 -16.761 24.541 1.00 30.53 O ATOM 2068 CB CYS H 220 7.321 -15.415 22.468 1.00 25.91 C ATOM 2069 SG CYS H 220 8.689 -15.275 21.396 1.00 24.42 S ATOM 2070 N ASP H 221 6.224 -14.830 25.601 1.00 28.44 N ATOM 2071 CA ASP H 221 5.036 -14.825 26.447 1.00 28.68 C ATOM 2072 C ASP H 221 4.827 -16.096 27.289 1.00 30.30 C ATOM 2073 O ASP H 221 3.687 -16.548 27.471 1.00 29.46 O ATOM 2074 CB ASP H 221 3.785 -14.565 25.600 1.00 27.31 C ATOM 2075 CG ASP H 221 2.596 -14.124 26.441 1.00 27.61 C ATOM 2076 OD1 ASP H 221 2.814 -13.386 27.425 1.00 28.27 O ATOM 2077 OD2 ASP H 221 1.443 -14.499 26.124 1.00 28.02 O ATOM 2078 N ARG H 221A 5.912 -16.673 27.799 1.00 30.10 N ATOM 2079 CA ARG H 221A 5.790 -17.865 28.642 1.00 31.51 C ATOM 2080 C ARG H 221A 5.583 -17.391 30.070 1.00 30.90 C ATOM 2081 O ARG H 221A 6.139 -16.372 30.459 1.00 31.83 O ATOM 2082 CB ARG H 221A 7.055 -18.730 28.574 1.00 31.89 C ATOM 2083 CG ARG H 221A 7.347 -19.335 27.204 1.00 35.12 C ATOM 2084 CD ARG H 221A 8.501 -20.349 27.267 1.00 37.61 C ATOM 2085 NE ARG H 221A 9.031 -20.646 25.937 1.00 40.02 N ATOM 2086 CZ ARG H 221A 10.131 -21.358 25.704 1.00 40.35 C ATOM 2087 NH1 ARG H 221A 10.537 -21.563 24.457 1.00 40.09 N ATOM 2088 NH2 ARG H 221A 10.824 -21.869 26.713 1.00 40.38 N ATOM 2089 N ASP H 222 4.773 -18.107 30.844 1.00 30.85 N ATOM 2090 CA ASP H 222 4.525 -17.740 32.232 1.00 31.40 C ATOM 2091 C ASP H 222 5.845 -17.862 32.972 1.00 31.30 C ATOM 2092 O ASP H 222 6.654 -18.730 32.658 1.00 32.29 O ATOM 2093 CB ASP H 222 3.504 -18.688 32.874 1.00 33.20 C ATOM 2094 CG ASP H 222 2.105 -18.554 32.279 1.00 34.85 C ATOM 2095 OD1 ASP H 222 1.175 -19.188 32.826 1.00 37.13 O ATOM 2096 OD2 ASP H 222 1.927 -17.834 31.280 1.00 34.33 O ATOM 2097 N GLY H 223 6.068 -17.004 33.959 1.00 31.62 N ATOM 2098 CA GLY H 223 7.319 -17.068 34.695 1.00 30.45 C ATOM 2099 C GLY H 223 8.537 -16.479 33.983 1.00 29.95 C ATOM 2100 O GLY H 223 9.598 -16.350 34.612 1.00 29.43 O ATOM 2101 N LYS H 224 8.409 -16.142 32.692 1.00 26.61 N ATOM 2102 CA LYS H 224 9.519 -15.553 31.932 1.00 25.81 C ATOM 2103 C LYS H 224 9.230 -14.086 31.572 1.00 25.30 C ATOM 2104 O LYS H 224 8.071 -13.682 31.463 1.00 23.88 O ATOM 2105 CB LYS H 224 9.762 -16.325 30.638 1.00 27.47 C ATOM 2106 CG LYS H 224 9.735 -17.829 30.817 1.00 31.52 C ATOM 2107 CD LYS H 224 10.648 -18.284 31.940 1.00 33.13 C ATOM 2108 CE LYS H 224 12.088 -18.229 31.533 1.00 32.80 C ATOM 2109 NZ LYS H 224 12.858 -19.284 32.261 1.00 35.61 N ATOM 2110 N TYR H 225 10.288 -13.309 31.364 1.00 22.92 N ATOM 2111 CA TYR H 225 10.140 -11.903 31.034 1.00 23.88 C ATOM 2112 C TYR H 225 11.025 -11.485 29.869 1.00 22.52 C ATOM 2113 O TYR H 225 12.036 -12.120 29.576 1.00 22.59 O ATOM 2114 CB TYR H 225 10.484 -11.048 32.250 1.00 23.31 C ATOM 2115 CG TYR H 225 9.708 -11.435 33.492 1.00 24.82 C ATOM 2116 CD1 TYR H 225 10.154 -12.459 34.330 1.00 24.42 C ATOM 2117 CD2 TYR H 225 8.485 -10.838 33.779 1.00 25.67 C ATOM 2118 CE1 TYR H 225 9.395 -12.879 35.419 1.00 27.68 C ATOM 2119 CE2 TYR H 225 7.712 -11.253 34.855 1.00 26.14 C ATOM 2120 CZ TYR H 225 8.170 -12.274 35.669 1.00 28.48 C ATOM 2121 OH TYR H 225 7.381 -12.723 36.697 1.00 30.86 O ATOM 2122 N GLY H 226 10.639 -10.407 29.204 1.00 19.47 N ATOM 2123 CA GLY H 226 11.450 -9.926 28.108 1.00 18.48 C ATOM 2124 C GLY H 226 12.518 -9.031 28.702 1.00 16.19 C ATOM 2125 O GLY H 226 12.252 -8.339 29.669 1.00 14.69 O ATOM 2126 N PHE H 227 13.728 -9.073 28.151 1.00 15.36 N ATOM 2127 CA PHE H 227 14.820 -8.224 28.617 1.00 15.07 C ATOM 2128 C PHE H 227 15.122 -7.129 27.594 1.00 14.51 C ATOM 2129 O PHE H 227 15.041 -7.339 26.367 1.00 12.57 O ATOM 2130 CB PHE H 227 16.076 -9.064 28.913 1.00 16.87 C ATOM 2131 CG PHE H 227 15.997 -9.791 30.215 1.00 14.43 C ATOM 2132 CD1 PHE H 227 15.236 -10.940 30.329 1.00 16.79 C ATOM 2133 CD2 PHE H 227 16.612 -9.284 31.342 1.00 15.39 C ATOM 2134 CE1 PHE H 227 15.077 -11.587 31.569 1.00 16.17 C ATOM 2135 CE2 PHE H 227 16.465 -9.920 32.585 1.00 13.43 C ATOM 2136 CZ PHE H 227 15.692 -11.071 32.693 1.00 13.67 C ATOM 2137 N TYR H 228 15.497 -5.967 28.108 1.00 13.58 N ATOM 2138 CA TYR H 228 15.750 -4.799 27.270 1.00 11.51 C ATOM 2139 C TYR H 228 17.051 -4.115 27.621 1.00 13.11 C ATOM 2140 O TYR H 228 17.441 -4.079 28.799 1.00 12.66 O ATOM 2141 CB TYR H 228 14.611 -3.795 27.481 1.00 9.07 C ATOM 2142 CG TYR H 228 13.241 -4.356 27.174 1.00 11.04 C ATOM 2143 CD1 TYR H 228 12.554 -5.166 28.091 1.00 11.12 C ATOM 2144 CD2 TYR H 228 12.673 -4.165 25.936 1.00 9.84 C ATOM 2145 CE1 TYR H 228 11.336 -5.773 27.744 1.00 12.58 C ATOM 2146 CE2 TYR H 228 11.466 -4.763 25.592 1.00 11.88 C ATOM 2147 CZ TYR H 228 10.808 -5.564 26.489 1.00 12.88 C ATOM 2148 OH TYR H 228 9.620 -6.164 26.111 1.00 16.21 O ATOM 2149 N THR H 229 17.706 -3.538 26.616 1.00 12.33 N ATOM 2150 CA THR H 229 18.943 -2.798 26.847 1.00 13.09 C ATOM 2151 C THR H 229 18.553 -1.490 27.528 1.00 14.39 C ATOM 2152 O THR H 229 17.610 -0.822 27.086 1.00 12.66 O ATOM 2153 CB THR H 229 19.640 -2.485 25.529 1.00 13.35 C ATOM 2154 OG1 THR H 229 19.752 -3.695 24.778 1.00 14.47 O ATOM 2155 CG2 THR H 229 21.047 -1.927 25.778 1.00 11.74 C ATOM 2156 N HIS H 230 19.268 -1.125 28.596 1.00 14.62 N ATOM 2157 CA HIS H 230 18.981 0.102 29.372 1.00 15.47 C ATOM 2158 C HIS H 230 19.622 1.265 28.637 1.00 16.02 C ATOM 2159 O HIS H 230 20.823 1.496 28.755 1.00 17.53 O ATOM 2160 CB HIS H 230 19.575 -0.043 30.779 1.00 16.34 C ATOM 2161 CG HIS H 230 19.087 0.973 31.760 1.00 19.48 C ATOM 2162 ND1 HIS H 230 19.156 2.327 31.525 1.00 21.33 N ATOM 2163 CD2 HIS H 230 18.624 0.832 33.028 1.00 22.21 C ATOM 2164 CE1 HIS H 230 18.764 2.982 32.606 1.00 22.36 C ATOM 2165 NE2 HIS H 230 18.439 2.098 33.532 1.00 23.09 N ATOM 2166 N VAL H 231 18.819 1.993 27.875 1.00 15.42 N ATOM 2167 CA VAL H 231 19.340 3.071 27.047 1.00 17.03 C ATOM 2168 C VAL H 231 20.058 4.179 27.780 1.00 16.50 C ATOM 2169 O VAL H 231 21.142 4.583 27.379 1.00 15.89 O ATOM 2170 CB VAL H 231 18.223 3.666 26.174 1.00 17.03 C ATOM 2171 CG1 VAL H 231 18.723 4.907 25.437 1.00 19.35 C ATOM 2172 CG2 VAL H 231 17.773 2.630 25.177 1.00 16.81 C ATOM 2173 N PHE H 232 19.462 4.672 28.858 1.00 18.26 N ATOM 2174 CA PHE H 232 20.116 5.727 29.592 1.00 17.95 C ATOM 2175 C PHE H 232 21.509 5.347 30.080 1.00 18.90 C ATOM 2176 O PHE H 232 22.412 6.180 30.080 1.00 18.36 O ATOM 2177 CB PHE H 232 19.301 6.179 30.794 1.00 19.45 C ATOM 2178 CG PHE H 232 19.973 7.281 31.546 1.00 22.38 C ATOM 2179 CD1 PHE H 232 20.312 8.465 30.887 1.00 24.26 C ATOM 2180 CD2 PHE H 232 20.397 7.094 32.846 1.00 23.57 C ATOM 2181 CE1 PHE H 232 21.077 9.440 31.514 1.00 26.86 C ATOM 2182 CE2 PHE H 232 21.167 8.067 33.486 1.00 25.87 C ATOM 2183 CZ PHE H 232 21.507 9.238 32.815 1.00 26.17 C ATOM 2184 N ARG H 233 21.709 4.102 30.492 1.00 19.58 N ATOM 2185 CA ARG H 233 23.040 3.732 30.981 1.00 22.51 C ATOM 2186 C ARG H 233 24.107 3.736 29.896 1.00 23.87 C ATOM 2187 O ARG H 233 25.291 3.774 30.202 1.00 25.75 O ATOM 2188 CB ARG H 233 23.020 2.362 31.655 1.00 24.21 C ATOM 2189 CG ARG H 233 22.550 2.383 33.107 1.00 29.52 C ATOM 2190 CD ARG H 233 23.214 1.247 33.896 1.00 33.71 C ATOM 2191 NE ARG H 233 24.456 1.654 34.566 1.00 40.06 N ATOM 2192 CZ ARG H 233 25.591 0.952 34.567 1.00 42.11 C ATOM 2193 NH1 ARG H 233 26.653 1.405 35.218 1.00 45.50 N ATOM 2194 NH2 ARG H 233 25.684 -0.189 33.901 1.00 42.50 N ATOM 2195 N LEU H 234 23.693 3.677 28.634 1.00 22.70 N ATOM 2196 CA LEU H 234 24.638 3.680 27.524 1.00 22.65 C ATOM 2197 C LEU H 234 24.604 4.990 26.737 1.00 22.19 C ATOM 2198 O LEU H 234 25.150 5.070 25.634 1.00 22.08 O ATOM 2199 CB LEU H 234 24.340 2.512 26.567 1.00 20.96 C ATOM 2200 CG LEU H 234 24.838 1.077 26.818 1.00 25.78 C ATOM 2201 CD1 LEU H 234 25.773 1.004 28.034 1.00 26.26 C ATOM 2202 CD2 LEU H 234 23.641 0.159 27.009 1.00 22.86 C ATOM 2203 N LYS H 235 23.975 6.013 27.306 1.00 23.93 N ATOM 2204 CA LYS H 235 23.821 7.296 26.620 1.00 26.74 C ATOM 2205 C LYS H 235 25.114 8.043 26.351 1.00 28.82 C ATOM 2206 O LYS H 235 25.230 8.712 25.321 1.00 28.52 O ATOM 2207 CB LYS H 235 22.864 8.205 27.397 1.00 28.18 C ATOM 2208 CG LYS H 235 22.330 9.396 26.594 1.00 29.42 C ATOM 2209 CD LYS H 235 21.332 10.189 27.416 1.00 32.83 C ATOM 2210 CE LYS H 235 20.723 11.365 26.640 1.00 35.17 C ATOM 2211 NZ LYS H 235 21.681 12.483 26.478 1.00 37.81 N ATOM 2212 N LYS H 236 26.082 7.943 27.264 1.00 29.23 N ATOM 2213 CA LYS H 236 27.358 8.628 27.060 1.00 29.81 C ATOM 2214 C LYS H 236 28.012 8.079 25.810 1.00 29.24 C ATOM 2215 O LYS H 236 28.605 8.825 25.037 1.00 29.33 O ATOM 2216 CB LYS H 236 28.293 8.437 28.254 1.00 30.12 C ATOM 2217 CG LYS H 236 27.936 9.301 29.460 1.00 29.90 C ATOM 2218 CD LYS H 236 28.832 8.987 30.647 0.00 30.15 C ATOM 2219 CE LYS H 236 28.446 9.811 31.864 0.00 30.24 C ATOM 2220 NZ LYS H 236 29.295 9.489 33.044 0.00 30.40 N ATOM 2221 N TRP H 237 27.904 6.769 25.605 1.00 28.73 N ATOM 2222 CA TRP H 237 28.486 6.169 24.415 1.00 26.95 C ATOM 2223 C TRP H 237 27.756 6.719 23.194 1.00 27.72 C ATOM 2224 O TRP H 237 28.380 7.126 22.230 1.00 28.62 O ATOM 2225 CB TRP H 237 28.347 4.645 24.437 1.00 25.79 C ATOM 2226 CG TRP H 237 28.792 4.040 23.144 1.00 25.35 C ATOM 2227 CD1 TRP H 237 30.076 3.944 22.687 1.00 24.67 C ATOM 2228 CD2 TRP H 237 27.952 3.530 22.096 1.00 24.84 C ATOM 2229 NE1 TRP H 237 30.087 3.410 21.424 1.00 26.46 N ATOM 2230 CE2 TRP H 237 28.798 3.145 21.036 1.00 26.10 C ATOM 2231 CE3 TRP H 237 26.564 3.365 21.950 1.00 25.59 C ATOM 2232 CZ2 TRP H 237 28.306 2.598 19.839 1.00 25.41 C ATOM 2233 CZ3 TRP H 237 26.072 2.820 20.752 1.00 23.42 C ATOM 2234 CH2 TRP H 237 26.945 2.444 19.721 1.00 25.37 C ATOM 2235 N ILE H 238 26.425 6.724 23.247 1.00 28.06 N ATOM 2236 CA ILE H 238 25.612 7.231 22.149 1.00 28.24 C ATOM 2237 C ILE H 238 26.028 8.651 21.767 1.00 30.07 C ATOM 2238 O ILE H 238 26.295 8.937 20.598 1.00 29.81 O ATOM 2239 CB ILE H 238 24.112 7.239 22.521 1.00 25.81 C ATOM 2240 CG1 ILE H 238 23.591 5.802 22.649 1.00 25.39 C ATOM 2241 CG2 ILE H 238 23.330 7.975 21.464 1.00 26.32 C ATOM 2242 CD1 ILE H 238 22.178 5.701 23.166 1.00 24.44 C ATOM 2243 N GLN H 239 26.071 9.534 22.759 1.00 33.17 N ATOM 2244 CA GLN H 239 26.450 10.938 22.550 1.00 34.86 C ATOM 2245 C GLN H 239 27.881 11.051 22.026 1.00 36.02 C ATOM 2246 O GLN H 239 28.190 11.924 21.215 1.00 36.23 O ATOM 2247 CB GLN H 239 26.305 11.722 23.857 0.00 35.45 C ATOM 2248 CG GLN H 239 26.498 13.223 23.706 0.00 36.15 C ATOM 2249 CD GLN H 239 26.155 13.984 24.971 0.00 36.50 C ATOM 2250 OE1 GLN H 239 25.027 13.923 25.460 0.00 36.67 O ATOM 2251 NE2 GLN H 239 27.130 14.709 25.508 0.00 36.74 N ATOM 2252 N LYS H 240 28.749 10.162 22.493 1.00 36.87 N ATOM 2253 CA LYS H 240 30.132 10.150 22.060 1.00 37.89 C ATOM 2254 C LYS H 240 30.244 9.896 20.549 1.00 39.39 C ATOM 2255 O LYS H 240 30.873 10.684 19.835 1.00 40.03 O ATOM 2256 CB LYS H 240 30.911 9.078 22.828 1.00 38.45 C ATOM 2257 CG LYS H 240 32.363 8.926 22.405 0.00 39.00 C ATOM 2258 CD LYS H 240 33.032 7.787 23.157 0.00 39.48 C ATOM 2259 CE LYS H 240 34.468 7.587 22.703 0.00 39.78 C ATOM 2260 NZ LYS H 240 35.119 6.453 23.414 0.00 40.04 N ATOM 2261 N VAL H 241 29.633 8.828 20.039 1.00 39.35 N ATOM 2262 CA VAL H 241 29.771 8.564 18.609 1.00 41.49 C ATOM 2263 C VAL H 241 29.035 9.569 17.729 1.00 42.60 C ATOM 2264 O VAL H 241 29.324 9.684 16.543 1.00 42.61 O ATOM 2265 CB VAL H 241 29.335 7.116 18.206 1.00 41.07 C ATOM 2266 CG1 VAL H 241 29.505 6.168 19.374 1.00 41.30 C ATOM 2267 CG2 VAL H 241 27.931 7.110 17.657 1.00 41.74 C ATOM 2268 N ILE H 242 28.088 10.299 18.300 1.00 43.69 N ATOM 2269 CA ILE H 242 27.361 11.276 17.516 1.00 45.65 C ATOM 2270 C ILE H 242 28.167 12.574 17.350 1.00 47.62 C ATOM 2271 O ILE H 242 28.101 13.217 16.299 1.00 47.76 O ATOM 2272 CB ILE H 242 25.982 11.562 18.149 1.00 45.62 C ATOM 2273 CG1 ILE H 242 25.043 10.389 17.861 1.00 45.25 C ATOM 2274 CG2 ILE H 242 25.402 12.870 17.611 1.00 46.11 C ATOM 2275 CD1 ILE H 242 23.682 10.519 18.513 1.00 46.12 C ATOM 2276 N ASP H 243 28.937 12.947 18.374 1.00 49.12 N ATOM 2277 CA ASP H 243 29.756 14.165 18.333 1.00 51.24 C ATOM 2278 C ASP H 243 29.014 15.299 17.630 0.00 52.96 C ATOM 2279 O ASP H 243 29.626 16.153 16.988 0.00 52.96 O ATOM 2280 CB ASP H 243 31.077 13.913 17.593 1.00 50.86 C ATOM 2281 CG ASP H 243 31.743 12.618 18.003 0.00 50.70 C ATOM 2282 OD1 ASP H 243 31.220 11.543 17.642 0.00 50.57 O ATOM 2283 OD2 ASP H 243 32.788 12.674 18.684 0.00 50.53 O ATOM 2284 N GLN H 244 27.691 15.286 17.749 1.00 55.47 N ATOM 2285 CA GLN H 244 26.819 16.289 17.144 1.00 57.45 C ATOM 2286 C GLN H 244 27.301 17.736 17.304 1.00 58.67 C ATOM 2287 O GLN H 244 26.761 18.648 16.668 1.00 58.56 O ATOM 2288 CB GLN H 244 25.409 16.155 17.738 1.00 58.10 C ATOM 2289 CG GLN H 244 25.392 15.947 19.254 1.00 59.05 C ATOM 2290 CD GLN H 244 23.982 15.866 19.831 1.00 60.29 C ATOM 2291 OE1 GLN H 244 23.241 16.853 19.829 1.00 60.76 O ATOM 2292 NE2 GLN H 244 23.606 14.686 20.325 1.00 59.51 N ATOM 2293 N PHE H 245 28.305 17.946 18.153 1.00 59.40 N ATOM 2294 CA PHE H 245 28.828 19.286 18.392 1.00 60.34 C ATOM 2295 C PHE H 245 30.354 19.332 18.319 1.00 60.80 C ATOM 2296 O PHE H 245 30.962 18.293 17.981 1.00 61.77 O ATOM 2297 CB PHE H 245 28.361 19.789 19.762 1.00 60.40 C ATOM 2298 CG PHE H 245 26.872 19.700 19.966 1.00 60.26 C ATOM 2299 CD1 PHE H 245 25.997 20.374 19.117 1.00 60.13 C ATOM 2300 CD2 PHE H 245 26.346 18.944 21.009 1.00 59.77 C ATOM 2301 CE1 PHE H 245 24.616 20.297 19.304 1.00 60.00 C ATOM 2302 CE2 PHE H 245 24.966 18.861 21.203 1.00 60.15 C ATOM 2303 CZ PHE H 245 24.101 19.539 20.350 1.00 59.55 C ATOM 2304 OXT PHE H 245 30.921 20.409 18.597 0.00 60.20 O TER 2305 PHE H 245 HETATM 2306 C 00I I 47 16.125 -14.703 21.826 1.00 27.51 C HETATM 2307 N 00I I 47 15.992 -16.613 23.346 1.00 28.25 N HETATM 2308 O 00I I 47 16.245 -13.997 22.817 1.00 25.09 O HETATM 2309 S 00I I 47 17.274 -17.725 23.940 1.00 30.47 S HETATM 2310 C1 00I I 47 19.065 -15.965 25.129 1.00 33.80 C HETATM 2311 N1 00I I 47 16.128 -14.223 20.589 1.00 24.65 N HETATM 2312 O1 00I I 47 17.123 -12.931 18.077 1.00 23.99 O HETATM 2313 C2 00I I 47 18.853 -16.915 24.132 1.00 32.09 C HETATM 2314 N2 00I I 47 18.712 -12.709 19.693 1.00 27.13 N HETATM 2315 C3 00I I 47 19.889 -17.244 23.274 1.00 33.70 C HETATM 2316 C4 00I I 47 21.138 -16.664 23.372 1.00 33.32 C HETATM 2317 C5 00I I 47 22.639 -15.117 24.488 1.00 32.50 C HETATM 2318 C6 00I I 47 22.850 -14.182 25.483 1.00 32.70 C HETATM 2319 C7 00I I 47 21.828 -13.826 26.354 1.00 32.31 C HETATM 2320 C8 00I I 47 20.560 -14.400 26.249 1.00 32.76 C HETATM 2321 C9 00I I 47 20.323 -15.351 25.256 1.00 33.35 C HETATM 2322 CA 00I I 47 15.924 -16.201 21.962 1.00 27.71 C HETATM 2323 CB 00I I 47 14.590 -16.618 21.358 1.00 30.42 C HETATM 2324 CD 00I I 47 13.201 -18.511 20.491 1.00 31.78 C HETATM 2325 CF 00I I 47 11.019 -12.127 24.021 1.00 20.27 C HETATM 2326 CG 00I I 47 14.502 -18.117 21.145 1.00 30.90 C HETATM 2327 CZ 00I I 47 12.001 -12.128 22.954 1.00 24.66 C HETATM 2328 C10 00I I 47 21.374 -15.713 24.362 1.00 33.70 C HETATM 2329 O1S 00I I 47 17.399 -18.721 22.884 1.00 30.83 O HETATM 2330 C21 00I I 47 17.435 -12.828 19.266 1.00 24.16 C HETATM 2331 C22 00I I 47 19.717 -13.081 18.675 1.00 25.19 C HETATM 2332 O2S 00I I 47 16.888 -18.350 25.206 1.00 28.63 O HETATM 2333 C32 00I I 47 20.423 -14.396 19.013 1.00 26.72 C HETATM 2334 C42 00I I 47 20.976 -14.369 20.461 1.00 26.15 C HETATM 2335 C52 00I I 47 19.899 -13.969 21.472 1.00 27.52 C HETATM 2336 C62 00I I 47 19.268 -12.641 21.061 1.00 25.87 C HETATM 2337 CA1 00I I 47 16.365 -12.833 20.342 1.00 25.42 C HETATM 2338 CB1 00I I 47 15.086 -12.131 19.871 1.00 23.10 C HETATM 2339 CD1 00I I 47 13.125 -13.198 21.061 1.00 25.82 C HETATM 2340 CD2 00I I 47 13.818 -11.034 21.769 1.00 19.14 C HETATM 2341 CE1 00I I 47 12.139 -13.204 22.088 1.00 24.58 C HETATM 2342 OE1 00I I 47 12.192 -18.593 21.226 1.00 35.99 O HETATM 2343 CE2 00I I 47 12.840 -11.044 22.790 1.00 23.25 C HETATM 2344 CG1 00I I 47 13.968 -12.119 20.904 1.00 25.13 C HETATM 2345 NG1 00I I 47 10.289 -13.199 24.294 1.00 22.60 N HETATM 2346 NG2 00I I 47 10.859 -11.010 24.735 1.00 24.90 N HETATM 2347 N ABU I 48 13.246 -18.712 19.165 0.00 26.14 N HETATM 2348 CA ABU I 48 12.063 -19.105 18.351 0.00 22.41 C HETATM 2349 CB ABU I 48 11.695 -20.569 18.523 0.00 19.16 C HETATM 2350 CG ABU I 48 10.628 -21.063 17.545 0.00 16.88 C HETATM 2351 CD ABU I 48 11.230 -21.255 16.152 0.00 15.77 C HETATM 2352 OE1 ABU I 48 12.260 -21.917 15.994 0.00 15.84 O ATOM 2353 N GLY I 49 10.626 -20.688 15.093 0.00 16.70 N ATOM 2354 CA GLY I 49 11.176 -20.851 13.715 0.00 17.04 C ATOM 2355 C GLY I 49 10.504 -19.960 12.691 0.00 18.17 C ATOM 2356 O GLY I 49 9.554 -20.363 12.023 0.00 18.11 O ATOM 2357 N GLY I 50 11.017 -18.742 12.558 0.00 19.66 N ATOM 2358 CA GLY I 50 10.467 -17.800 11.602 0.00 22.02 C ATOM 2359 C GLY I 50 11.502 -16.773 11.180 0.00 23.77 C ATOM 2360 O GLY I 50 12.218 -16.225 12.019 0.00 23.68 O ATOM 2361 N GLY I 51 11.591 -16.513 9.880 0.00 25.50 N ATOM 2362 CA GLY I 51 12.559 -15.549 9.388 0.00 27.98 C ATOM 2363 C GLY I 51 11.935 -14.445 8.556 0.00 29.95 C ATOM 2364 O GLY I 51 12.563 -13.414 8.310 0.00 29.77 O ATOM 2365 N GLY I 52 10.697 -14.659 8.121 0.00 31.97 N ATOM 2366 CA GLY I 52 10.013 -13.663 7.317 0.00 34.84 C ATOM 2367 C GLY I 52 10.814 -13.303 6.083 0.00 36.89 C ATOM 2368 O GLY I 52 11.505 -12.286 6.058 0.00 37.02 O ATOM 2369 N ASN I 53 10.714 -14.135 5.052 0.00 39.41 N ATOM 2370 CA ASN I 53 11.441 -13.904 3.809 0.00 41.86 C ATOM 2371 C ASN I 53 10.735 -14.550 2.623 0.00 43.64 C ATOM 2372 O ASN I 53 10.999 -15.707 2.293 0.00 43.70 O ATOM 2373 CB ASN I 53 12.861 -14.465 3.924 0.00 41.94 C ATOM 2374 CG ASN I 53 13.632 -14.379 2.620 0.00 42.18 C ATOM 2375 OD1 ASN I 53 13.853 -13.293 2.088 0.00 42.22 O ATOM 2376 ND2 ASN I 53 14.045 -15.530 2.100 0.00 42.23 N ATOM 2377 N GLY I 54 9.837 -13.806 1.983 0.00 45.57 N ATOM 2378 CA GLY I 54 9.137 -14.360 0.840 0.00 48.24 C ATOM 2379 C GLY I 54 7.841 -13.692 0.422 0.00 50.13 C ATOM 2380 O GLY I 54 7.483 -13.743 -0.755 0.00 50.12 O ATOM 2381 N ASP I 55 7.132 -13.063 1.355 1.00 52.18 N ATOM 2382 CA ASP I 55 5.866 -12.426 0.999 1.00 54.31 C ATOM 2383 C ASP I 55 5.879 -10.902 0.947 1.00 54.13 C ATOM 2384 O ASP I 55 4.824 -10.274 0.881 1.00 53.94 O ATOM 2385 CB ASP I 55 4.735 -12.926 1.919 1.00 56.34 C ATOM 2386 CG ASP I 55 5.112 -12.911 3.397 1.00 58.68 C ATOM 2387 OD1 ASP I 55 6.249 -13.316 3.732 1.00 60.18 O ATOM 2388 OD2 ASP I 55 4.259 -12.515 4.227 1.00 58.21 O ATOM 2389 N TYR I 56 7.074 -10.316 0.946 1.00 53.92 N ATOM 2390 CA TYR I 56 7.218 -8.867 0.880 1.00 54.05 C ATOM 2391 C TYR I 56 7.126 -8.378 -0.557 1.00 54.58 C ATOM 2392 O TYR I 56 7.607 -9.031 -1.476 1.00 54.98 O ATOM 2393 CB TYR I 56 8.559 -8.429 1.473 1.00 54.12 C ATOM 2394 CG TYR I 56 8.655 -8.658 2.958 1.00 54.51 C ATOM 2395 CD1 TYR I 56 9.020 -9.900 3.467 1.00 54.63 C ATOM 2396 CD2 TYR I 56 8.314 -7.648 3.860 1.00 54.26 C ATOM 2397 CE1 TYR I 56 9.039 -10.139 4.837 1.00 54.88 C ATOM 2398 CE2 TYR I 56 8.328 -7.877 5.228 1.00 55.04 C ATOM 2399 CZ TYR I 56 8.689 -9.126 5.707 1.00 54.94 C ATOM 2400 OH TYR I 56 8.677 -9.374 7.058 1.00 56.77 O ATOM 2401 N GLU I 57 6.517 -7.217 -0.753 1.00 54.65 N ATOM 2402 CA GLU I 57 6.381 -6.681 -2.093 1.00 55.22 C ATOM 2403 C GLU I 57 7.598 -5.862 -2.491 1.00 54.76 C ATOM 2404 O GLU I 57 8.092 -5.046 -1.717 1.00 54.62 O ATOM 2405 CB GLU I 57 5.085 -5.869 -2.190 1.00 55.79 C ATOM 2406 CG GLU I 57 3.867 -6.753 -1.904 1.00 59.08 C ATOM 2407 CD GLU I 57 2.548 -6.001 -1.831 1.00 61.60 C ATOM 2408 OE1 GLU I 57 2.468 -5.017 -1.065 1.00 63.44 O ATOM 2409 OE2 GLU I 57 1.586 -6.403 -2.526 1.00 62.34 O ATOM 2410 N PRO I 58 8.117 -6.104 -3.708 1.00 54.77 N ATOM 2411 CA PRO I 58 9.285 -5.436 -4.292 1.00 53.92 C ATOM 2412 C PRO I 58 9.275 -3.918 -4.152 1.00 53.78 C ATOM 2413 O PRO I 58 8.216 -3.291 -4.141 1.00 53.70 O ATOM 2414 CB PRO I 58 9.232 -5.885 -5.750 1.00 54.26 C ATOM 2415 CG PRO I 58 8.711 -7.281 -5.626 1.00 54.58 C ATOM 2416 CD PRO I 58 7.583 -7.116 -4.640 1.00 54.48 C ATOM 2417 N ILE I 59 10.467 -3.336 -4.064 1.00 52.93 N ATOM 2418 CA ILE I 59 10.624 -1.898 -3.918 1.00 52.43 C ATOM 2419 C ILE I 59 11.205 -1.311 -5.203 1.00 53.28 C ATOM 2420 O ILE I 59 12.310 -1.669 -5.599 1.00 53.67 O ATOM 2421 CB ILE I 59 11.592 -1.572 -2.763 1.00 50.72 C ATOM 2422 CG1 ILE I 59 11.198 -2.351 -1.506 1.00 50.76 C ATOM 2423 CG2 ILE I 59 11.581 -0.086 -2.494 1.00 51.19 C ATOM 2424 CD1 ILE I 59 12.185 -2.225 -0.359 1.00 49.12 C ATOM 2425 N PRO I 60 10.481 -0.393 -5.860 0.00 53.84 N ATOM 2426 CA PRO I 60 10.987 0.206 -7.100 0.00 54.09 C ATOM 2427 C PRO I 60 12.281 0.995 -6.900 0.00 54.16 C ATOM 2428 O PRO I 60 12.532 1.532 -5.819 0.00 54.28 O ATOM 2429 CB PRO I 60 9.826 1.091 -7.549 0.00 54.26 C ATOM 2430 CG PRO I 60 9.215 1.514 -6.248 0.00 54.28 C ATOM 2431 CD PRO I 60 9.200 0.221 -5.466 0.00 54.10 C ATOM 2432 N GLU I 61 13.102 1.057 -7.946 0.00 54.08 N ATOM 2433 CA GLU I 61 14.369 1.779 -7.887 0.00 53.85 C ATOM 2434 C GLU I 61 14.144 3.271 -7.673 0.00 53.15 C ATOM 2435 O GLU I 61 14.998 3.965 -7.117 0.00 53.15 O ATOM 2436 CB GLU I 61 15.165 1.562 -9.180 0.00 54.63 C ATOM 2437 CG GLU I 61 16.503 2.290 -9.212 0.00 55.68 C ATOM 2438 CD GLU I 61 17.245 2.095 -10.520 0.00 56.23 C ATOM 2439 OE1 GLU I 61 16.698 2.472 -11.579 0.00 56.57 O ATOM 2440 OE2 GLU I 61 18.376 1.565 -10.490 0.00 56.57 O ATOM 2441 N GLU I 62 12.993 3.758 -8.121 0.00 52.21 N ATOM 2442 CA GLU I 62 12.649 5.166 -7.981 0.00 51.20 C ATOM 2443 C GLU I 62 12.476 5.547 -6.515 0.00 50.23 C ATOM 2444 O GLU I 62 12.124 6.682 -6.202 0.00 50.13 O ATOM 2445 CB GLU I 62 11.352 5.464 -8.734 0.00 51.53 C ATOM 2446 CG GLU I 62 10.152 4.682 -8.223 0.00 52.01 C ATOM 2447 CD GLU I 62 8.866 5.054 -8.932 0.00 52.29 C ATOM 2448 OE1 GLU I 62 8.796 4.885 -10.166 0.00 52.48 O ATOM 2449 OE2 GLU I 62 7.925 5.515 -8.255 0.00 52.48 O ATOM 2450 N ALA I 63 12.731 4.600 -5.619 1.00 49.28 N ATOM 2451 CA ALA I 63 12.583 4.853 -4.193 1.00 47.38 C ATOM 2452 C ALA I 63 13.902 4.873 -3.437 1.00 46.10 C ATOM 2453 O ALA I 63 13.930 5.276 -2.278 1.00 47.64 O ATOM 2454 CB ALA I 63 11.646 3.818 -3.577 1.00 46.77 C HETATM 2455 N ALC I 64 14.985 4.440 -4.079 0.00 43.62 N HETATM 2456 CA ALC I 64 16.296 4.407 -3.434 0.00 40.92 C HETATM 2457 C ALC I 64 16.932 5.790 -3.265 0.00 40.26 C HETATM 2458 O ALC I 64 16.381 6.790 -3.722 0.00 39.53 O HETATM 2459 CB ALC I 64 17.249 3.495 -4.224 0.00 39.20 C HETATM 2460 CG ALC I 64 17.205 1.974 -3.982 0.00 37.54 C HETATM 2461 CD2 ALC I 64 15.823 1.400 -4.396 0.00 36.87 C HETATM 2462 CE2 ALC I 64 15.790 -0.138 -4.233 0.00 36.26 C HETATM 2463 CZ ALC I 64 16.960 -0.798 -4.993 0.00 36.07 C HETATM 2464 CE1 ALC I 64 18.308 -0.223 -4.529 0.00 36.26 C HETATM 2465 CD1 ALC I 64 18.338 1.292 -4.765 0.00 36.87 C HETATM 2466 N DGL I 65 18.098 5.824 -2.614 0.00 39.42 N HETATM 2467 CA DGL I 65 18.843 7.062 -2.362 0.00 39.69 C HETATM 2468 C DGL I 65 20.323 6.754 -2.094 0.00 40.72 C HETATM 2469 O DGL I 65 20.900 7.161 -1.075 1.00 43.26 O HETATM 2470 CB DGL I 65 18.737 8.009 -3.563 0.00 38.28 C HETATM 2471 CG DGL I 65 19.301 9.405 -3.317 0.00 36.42 C HETATM 2472 CD DGL I 65 18.228 10.449 -3.077 0.00 35.48 C HETATM 2473 OE1 DGL I 65 18.589 11.612 -2.797 0.00 35.00 O HETATM 2474 OE2 DGL I 65 17.029 10.111 -3.186 0.00 35.00 O TER 2475 DGL I 65 HETATM 2476 O HOH L 15 6.143 18.367 13.641 1.00 44.20 O HETATM 2477 O HOH L 16 -8.713 -0.577 29.969 1.00 48.44 O HETATM 2478 O HOH L 17 -4.554 -2.379 31.639 1.00 52.13 O HETATM 2479 O HOH L 18 -2.631 10.474 33.078 1.00 45.36 O HETATM 2480 O HOH L 19 -5.550 -2.549 25.166 1.00 52.44 O HETATM 2481 O HOH L 20 -7.536 9.895 16.075 1.00 41.87 O HETATM 2482 O HOH L 21 -6.782 4.022 27.987 1.00 41.91 O HETATM 2483 O HOH L 22 -1.160 8.984 37.152 1.00 34.81 O HETATM 2484 O HOH L 23 -9.320 5.686 32.174 1.00 41.35 O HETATM 2485 O HOH L 24 -4.760 10.846 15.139 1.00 22.40 O HETATM 2486 O HOH L 25 -5.632 12.844 12.722 1.00 36.99 O HETATM 2487 O HOH L 26 -1.563 12.177 22.979 1.00 23.72 O HETATM 2488 O HOH L 27 -6.724 0.178 15.643 1.00 54.04 O HETATM 2489 O HOH L 28 16.805 15.956 19.990 1.00 36.73 O HETATM 2490 O HOH H 246 3.722 -13.637 30.092 1.00 30.20 O HETATM 2491 O HOH H 247 3.043 7.405 -6.100 1.00 32.66 O HETATM 2492 O HOH H 248 15.886 -16.139 18.360 1.00 33.61 O HETATM 2493 O HOH H 249 6.985 -13.311 28.562 1.00 32.85 O HETATM 2494 O HOH H 250 33.763 -10.475 14.622 1.00 42.72 O HETATM 2495 O HOH H 251 19.357 -15.624 40.484 1.00 33.28 O HETATM 2496 O HOH H 252 31.867 -4.509 19.681 1.00 40.06 O HETATM 2497 O HOH H 253 0.351 0.998 -4.008 1.00 37.45 O HETATM 2498 O HOH H 254 14.802 -11.301 16.307 1.00 38.97 O HETATM 2499 O HOH H 255 -5.056 0.168 12.998 1.00 38.92 O HETATM 2500 O HOH H 256 22.016 -12.703 37.342 1.00 39.69 O HETATM 2501 O HOH H 257 4.694 -14.252 33.234 1.00 34.13 O HETATM 2502 O HOH H 258 21.370 13.719 32.100 1.00 43.50 O HETATM 2503 O HOH H 259 28.359 15.345 12.716 1.00 41.48 O HETATM 2504 O HOH H 260 20.519 -0.569 36.069 1.00 35.58 O HETATM 2505 O HOH H 261 0.596 -13.210 33.276 1.00 40.22 O HETATM 2506 O HOH H 262 12.371 -16.766 43.498 1.00 47.56 O HETATM 2507 O HOH H 263 8.049 0.873 42.133 1.00 43.77 O HETATM 2508 O HOH H 264 1.506 -6.820 5.328 1.00 44.17 O HETATM 2509 O HOH H 265 -1.123 -0.117 36.780 1.00 40.87 O HETATM 2510 O HOH H 266 26.431 -5.028 35.968 1.00 39.61 O HETATM 2511 O HOH H 267 32.766 -16.034 27.933 1.00 44.93 O HETATM 2512 O HOH H 268 21.017 14.229 19.157 1.00 53.86 O HETATM 2513 O HOH H 269 -1.300 15.132 24.593 1.00 46.03 O HETATM 2514 O HOH H 270 6.803 9.502 38.507 1.00 38.85 O HETATM 2515 O HOH H 271 -3.627 -7.939 17.193 1.00 47.34 O HETATM 2516 O HOH H 272 13.259 -14.484 29.241 1.00 23.21 O HETATM 2517 O HOH H 273 36.843 -14.172 18.554 1.00 42.20 O HETATM 2518 O HOH H 274 0.678 -16.605 24.484 1.00 37.86 O HETATM 2519 O HOH H 275 13.613 -4.484 44.093 1.00 40.15 O HETATM 2520 O HOH H 276 -4.433 9.301 10.495 1.00 41.30 O HETATM 2521 O HOH H 277 18.745 -7.468 42.402 1.00 42.05 O HETATM 2522 O HOH H 278 13.925 -4.739 35.668 1.00 20.20 O HETATM 2523 O HOH H 279 17.821 8.894 3.478 1.00 44.67 O HETATM 2524 O HOH H 280 -1.159 -4.021 25.867 1.00 31.86 O HETATM 2525 O HOH H 281 15.519 14.810 2.966 1.00 39.37 O HETATM 2526 O HOH H 282 9.944 -16.387 37.431 1.00 44.14 O HETATM 2527 O HOH H 283 17.281 15.981 13.812 1.00 36.02 O HETATM 2528 O HOH H 284 12.325 21.492 29.537 1.00 43.63 O HETATM 2529 O HOH H 285 31.983 -9.274 34.251 1.00 43.90 O HETATM 2530 O HOH H 286 1.680 13.742 -0.659 1.00 51.03 O HETATM 2531 O HOH H 287 31.411 2.047 17.930 1.00 38.61 O HETATM 2532 O HOH H 288 8.040 15.665 4.714 1.00 40.46 O HETATM 2533 O HOH H 289 -4.634 -9.947 21.464 1.00 50.92 O HETATM 2534 O HOH H 290 11.913 15.002 33.906 1.00 47.58 O HETATM 2535 O HOH H 291 23.344 18.016 5.945 1.00 45.07 O HETATM 2536 O HOH H 292 1.903 -15.274 0.884 1.00 48.75 O HETATM 2537 O HOH H 293 7.288 22.055 21.326 1.00 47.77 O HETATM 2538 O HOH H 294 -5.537 -19.464 11.630 1.00 43.66 O HETATM 2539 O HOH H 295 -1.335 -4.510 28.928 1.00 29.76 O HETATM 2540 O HOH H 296 17.950 -19.614 31.647 1.00 41.54 O HETATM 2541 O HOH H 297 29.889 -2.553 3.681 1.00 45.13 O HETATM 2542 O HOH H 298 11.423 -18.917 36.289 1.00 38.37 O HETATM 2543 O HOH H 299 10.550 9.101 -1.286 1.00 47.31 O HETATM 2544 O HOH H 300 25.410 15.481 32.178 1.00 52.52 O HETATM 2545 O HOH H 301 24.377 13.506 41.980 1.00 49.23 O HETATM 2546 O HOH H 302 22.640 0.789 2.968 1.00 33.81 O HETATM 2547 O HOH H 303 -4.035 8.470 13.577 1.00 30.68 O HETATM 2548 O HOH H 304 2.189 10.800 14.076 1.00 18.25 O HETATM 2549 O HOH H 305 4.132 -8.276 15.987 1.00 25.81 O HETATM 2550 O HOH H 306 0.151 -8.731 18.705 1.00 33.25 O HETATM 2551 O HOH H 307 -0.469 -12.907 19.926 1.00 34.01 O HETATM 2552 O HOH H 308 -2.451 -3.526 23.146 1.00 41.01 O HETATM 2553 O HOH H 309 3.378 4.111 13.856 1.00 17.81 O HETATM 2554 O HOH H 310 1.732 2.732 12.435 1.00 33.48 O HETATM 2555 O HOH H 311 4.204 6.136 11.213 1.00 25.66 O HETATM 2556 O HOH H 312 3.719 5.093 20.813 1.00 24.94 O HETATM 2557 O HOH H 313 7.201 1.367 21.106 1.00 22.88 O HETATM 2558 O HOH H 314 6.214 3.568 20.030 1.00 17.08 O HETATM 2559 O HOH H 315 8.122 5.312 11.208 1.00 23.37 O HETATM 2560 O HOH H 316 10.317 -3.966 16.753 1.00 12.65 O HETATM 2561 O HOH H 317 19.650 -12.629 9.142 1.00 54.62 O HETATM 2562 O HOH H 318 9.708 -5.449 14.392 1.00 23.25 O HETATM 2563 O HOH H 319 16.391 12.213 20.115 1.00 31.38 O HETATM 2564 O HOH H 320 16.732 13.078 22.627 1.00 31.74 O HETATM 2565 O HOH H 321 24.648 13.635 13.382 1.00 37.96 O HETATM 2566 O HOH H 322 15.489 0.967 19.053 1.00 17.84 O HETATM 2567 O HOH H 323 27.841 -6.526 11.998 1.00 42.70 O HETATM 2568 O HOH H 324 31.761 -5.888 13.206 1.00 47.48 O HETATM 2569 O HOH H 325 32.777 -17.657 9.376 1.00 51.42 O HETATM 2570 O HOH H 326 30.652 -16.948 12.647 1.00 41.24 O HETATM 2571 O HOH H 327 2.220 4.942 7.936 1.00 26.94 O HETATM 2572 O HOH H 328 8.853 2.069 9.604 1.00 18.52 O HETATM 2573 O HOH H 329 0.994 -6.347 1.007 1.00 40.18 O HETATM 2574 O HOH H 330 0.179 1.566 -1.186 1.00 32.22 O HETATM 2575 O HOH H 331 9.550 5.122 -0.699 1.00 44.04 O HETATM 2576 O HOH H 332 5.931 10.123 5.085 1.00 21.29 O HETATM 2577 O HOH H 333 33.189 3.463 20.019 1.00 37.78 O HETATM 2578 O HOH H 334 29.417 2.405 27.668 1.00 31.48 O HETATM 2579 O HOH H 335 30.494 -3.347 30.120 1.00 31.68 O HETATM 2580 O HOH H 336 32.092 -10.687 23.069 1.00 40.58 O HETATM 2581 O HOH H 337 22.444 -4.581 27.504 1.00 21.35 O HETATM 2582 O HOH H 338 21.010 -6.891 26.772 1.00 19.03 O HETATM 2583 O HOH H 339 30.100 -4.965 28.377 1.00 43.70 O HETATM 2584 O HOH H 340 32.574 12.240 14.806 1.00 48.85 O HETATM 2585 O HOH H 341 30.597 11.344 13.844 1.00 50.48 O HETATM 2586 O HOH H 342 2.867 14.282 6.214 1.00 35.12 O HETATM 2587 O HOH H 343 7.124 15.396 12.031 1.00 29.02 O HETATM 2588 O HOH H 344 19.266 13.617 24.161 1.00 40.81 O HETATM 2589 O HOH H 345 16.964 3.696 29.973 1.00 14.57 O HETATM 2590 O HOH H 346 17.551 14.270 41.243 1.00 51.38 O HETATM 2591 O HOH H 347 12.740 17.295 32.096 1.00 52.90 O HETATM 2592 O HOH H 348 10.207 14.395 31.613 1.00 25.38 O HETATM 2593 O HOH H 349 1.411 -1.654 36.780 1.00 35.48 O HETATM 2594 O HOH H 350 5.854 -5.054 37.726 1.00 27.77 O HETATM 2595 O HOH H 351 4.857 -7.285 36.534 1.00 25.07 O HETATM 2596 O HOH H 352 7.466 -11.460 11.325 1.00 44.85 O HETATM 2597 O HOH H 353 15.146 -2.266 36.370 1.00 33.86 O HETATM 2598 O HOH H 354 21.823 -5.963 37.715 1.00 38.37 O HETATM 2599 O HOH H 355 6.139 -11.628 31.653 1.00 25.36 O HETATM 2600 O HOH H 356 8.540 -14.730 38.452 1.00 45.97 O HETATM 2601 O HOH H 357 11.172 -14.822 38.955 1.00 28.67 O HETATM 2602 O HOH H 358 18.879 -16.517 38.136 1.00 10.79 O HETATM 2603 O HOH H 359 20.394 -18.123 38.190 1.00 28.26 O HETATM 2604 O HOH H 360 20.390 -14.914 36.841 1.00 32.07 O HETATM 2605 O HOH H 361 12.878 -14.661 32.006 1.00 18.25 O HETATM 2606 O HOH H 362 22.639 -22.623 35.984 1.00 48.67 O HETATM 2607 O HOH H 363 25.022 -15.338 31.550 1.00 33.21 O HETATM 2608 O HOH H 364 28.286 -5.088 32.662 1.00 22.58 O HETATM 2609 O HOH H 365 12.607 -8.237 25.050 1.00 17.32 O HETATM 2610 O HOH H 366 8.625 -8.274 27.555 1.00 16.32 O HETATM 2611 O HOH H 367 3.505 -10.579 30.022 1.00 18.44 O HETATM 2612 O HOH H 368 6.765 -10.566 28.792 1.00 22.88 O HETATM 2613 O HOH H 369 2.349 -14.670 32.054 1.00 28.49 O HETATM 2614 O HOH H 370 11.630 18.799 29.972 1.00 42.43 O HETATM 2615 O HOH H 371 5.984 -13.965 30.535 1.00 20.34 O HETATM 2616 O HOH H 372 27.400 0.915 30.769 1.00 48.86 O HETATM 2617 O HOH H 373 26.710 6.181 29.826 1.00 47.68 O HETATM 2618 O HOH I 66 12.074 5.951 -0.458 1.00 43.01 O HETATM 2619 O HOH I 67 17.858 -11.445 15.575 1.00 42.47 O HETATM 2620 O HOH I 68 11.718 -12.724 -4.209 1.00 47.06 O HETATM 2621 O HOH I 69 12.031 -26.261 12.109 1.00 53.27 O HETATM 2622 O HOH I 70 20.324 -20.045 26.854 1.00 41.06 O HETATM 2623 O HOH I 71 7.711 -4.438 0.739 1.00 33.11 O HETATM 2624 O HOH I 72 19.134 7.195 1.303 1.00 53.90 O HETATM 2625 O HOH I 73 5.606 -3.228 -6.777 1.00 54.54 O CONECT 19 1210 CONECT 443 561 CONECT 561 443 CONECT 1210 19 CONECT 1619 1735 CONECT 1735 1619 CONECT 1836 2069 CONECT 2069 1836 CONECT 2306 2308 2311 2322 CONECT 2307 2309 2322 CONECT 2308 2306 CONECT 2309 2307 2313 2329 2332 CONECT 2310 2313 2321 CONECT 2311 2306 2337 CONECT 2312 2330 CONECT 2313 2309 2310 2315 CONECT 2314 2330 2331 2336 CONECT 2315 2313 2316 CONECT 2316 2315 2328 CONECT 2317 2318 2328 CONECT 2318 2317 2319 CONECT 2319 2318 2320 CONECT 2320 2319 2321 CONECT 2321 2310 2320 2328 CONECT 2322 2306 2307 2323 CONECT 2323 2322 2326 CONECT 2324 2326 2342 2347 CONECT 2325 2327 2345 2346 CONECT 2326 2323 2324 CONECT 2327 2325 2341 2343 CONECT 2328 2316 2317 2321 CONECT 2329 2309 CONECT 2330 2312 2314 2337 CONECT 2331 2314 2333 CONECT 2332 2309 CONECT 2333 2331 2334 CONECT 2334 2333 2335 CONECT 2335 2334 2336 CONECT 2336 2314 2335 CONECT 2337 2311 2330 2338 CONECT 2338 2337 2344 CONECT 2339 2341 2344 CONECT 2340 2343 2344 CONECT 2341 2327 2339 CONECT 2342 2324 CONECT 2343 2327 2340 CONECT 2344 2338 2339 2340 CONECT 2345 2325 CONECT 2346 2325 CONECT 2347 2324 2348 CONECT 2348 2347 2349 CONECT 2349 2348 2350 CONECT 2350 2349 2351 CONECT 2351 2350 2352 2353 CONECT 2352 2351 CONECT 2353 2351 CONECT 2452 2455 CONECT 2455 2452 2456 CONECT 2456 2455 2457 2459 CONECT 2457 2456 2458 2466 CONECT 2458 2457 CONECT 2459 2456 2460 CONECT 2460 2459 2461 2465 CONECT 2461 2460 2462 CONECT 2462 2461 2463 CONECT 2463 2462 2464 CONECT 2464 2463 2465 CONECT 2465 2460 2464 CONECT 2466 2457 2467 CONECT 2467 2466 2468 2470 CONECT 2468 2467 2469 CONECT 2469 2468 CONECT 2470 2467 2471 CONECT 2471 2470 2472 CONECT 2472 2471 2473 2474 CONECT 2473 2472 CONECT 2474 2472 MASTER 325 0 4 9 16 0 7 6 2622 3 77 25 END
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Related entries of code: 1qur
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ths
RCSB PDB
PDBbind
11aa, >1THS_3|Chain... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1smf
RCSB PDB
PDBbind
22-mer
3dvm
RCSB PDB
PDBbind
22-mer
3kj1
RCSB PDB
PDBbind
22-mer
3kj2
RCSB PDB
PDBbind
22-mer
3o34
RCSB PDB
PDBbind
22-mer
Entry Information
PDB ID
1qur
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
thrombin alpha chain
Ligand Name
22-mer
EC.Number
E.C.3.4.21.5
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=0.29pM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Eur.J.Biochem. v265 pp. 598-605, 1999
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00734
Entrez Gene ID
NCBI Entrez Gene ID:
2147
ASD
Information of known allosteric effects of PDB entries
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