Browse entries in the PDBbind-CN Database
HEADER HYDROLASE/HYDROLASE INHIBITOR 20-JAN-98 1A3B TITLE COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE TITLE 2 INHIBITOR BOROLOG1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); COMPND 3 CHAIN: L; COMPND 4 EC: 3.4.21.5; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ALPHA-THROMBIN (LARGE SUBUNIT); COMPND 7 CHAIN: H; COMPND 8 EC: 3.4.21.5; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: HIRUDIN; COMPND 11 CHAIN: I 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 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; SOURCE 11 ORGANISM_COMMON: MEDICINAL LEECH; SOURCE 12 ORGANISM_TAXID: 6421 KEYWDS COMPLEX (SERINE PROTEASE-INHIBITOR), HYDROLASE-HYDROLASE INHIBITOR KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR E.SKORDALAKES,S.ELGENDY,G.DODSON,C.A.GOODWIN,D.GREEN,M.F.SCULLY, AUTHOR 2 J.H.FREYSSINET,V.V.KAKKAR,J.DEADMAN REVDAT 4 13-JUL-11 1A3B 1 VERSN REVDAT 3 24-FEB-09 1A3B 1 VERSN REVDAT 2 01-APR-03 1A3B 1 JRNL REVDAT 1 03-JUN-98 1A3B 0 JRNL AUTH E.SKORDALAKES,S.ELGENDY,C.A.GOODWIN,D.GREEN,M.F.SCULLY, JRNL AUTH 2 V.V.KAKKAR,J.M.FREYSSINET,G.DODSON,J.J.DEADMAN JRNL TITL BIFUNCTIONAL PEPTIDE BORONATE INHIBITORS OF THROMBIN: JRNL TITL 2 CRYSTALLOGRAPHIC ANALYSIS OF INHIBITION ENHANCED BY LINKAGE JRNL TITL 3 TO AN EXOSITE 1 BINDING PEPTIDE. JRNL REF BIOCHEMISTRY V. 37 14420 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9772168 JRNL DOI 10.1021/BI980225A REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.QIU,K.P.PADMANABHAN,V.E.CARPEROS,A.TULINSKY,T.KLINE, REMARK 1 AUTH 2 J.M.MARAGANORE,J.W.FENTON II REMARK 1 TITL STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF REMARK 1 TITL 2 THE S' SUBSITES OF SUBSTRATES AND INHIBITORS REMARK 1 REF BIOCHEMISTRY V. 31 11689 1992 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH E.SKRZYPCZAK-JANKUN,V.E.CARPEROS,K.G.RAVICHANDRAN, REMARK 1 AUTH 2 A.TULINSKY,M.WESTBROOK,J.M.MARAGANORE REMARK 1 TITL STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF REMARK 1 TITL 2 ALPHA-THROMBIN REMARK 1 REF J.MOL.BIOL. V. 221 1379 1991 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 3 NUMBER OF REFLECTIONS : 32141 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : R-FREE REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.170 REMARK 3 FREE R VALUE : 0.230 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2325 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 34 REMARK 3 SOLVENT ATOMS : 247 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): NULL REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.018 ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : 1.900 ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A3B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-97 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.15 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 FR-D REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NI FILTER REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS II REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32141 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.2 REMARK 200 DATA REDUNDANCY : 2.400 REMARK 200 R MERGE (I) : 0.05300 REMARK 200 R SYM (I) : 0.04200 REMARK 200
FOR THE DATA SET : 17.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.85 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.30 REMARK 200 R MERGE FOR SHELL (I) : 0.32500 REMARK 200 R SYM FOR SHELL (I) : 0.30200 REMARK 200
FOR SHELL : 3.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.46 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG 8000, 0.05 M SODIUM PHOSPHATE, REMARK 280 PH 7.15 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 35.07500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 35.67000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.07500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 35.67000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 THR L 1H REMARK 465 PHE L 1G REMARK 465 GLY L 1F REMARK 465 SER L 1E REMARK 465 GLY L 1D REMARK 465 GLU L 1C REMARK 465 ASP L 14L REMARK 465 GLY L 14M REMARK 465 ARG L 14N REMARK 465 TRP H 147A REMARK 465 THR H 147B REMARK 465 ALA H 147C REMARK 465 ASN H 147D REMARK 465 VAL H 147E REMARK 465 GLY H 147F REMARK 465 GLY H 246 REMARK 465 GLU H 247 REMARK 465 GLY I 2 REMARK 465 GLY I 3 REMARK 465 GLN I 4 REMARK 465 SER I 5 REMARK 465 HIS I 6 REMARK 465 ASN I 7 REMARK 465 ASP I 8 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG H 75 CG CD NE CZ NH1 NH2 REMARK 470 THR H 147 CB OG1 CG2 REMARK 470 LYS H 149E CG CD CE NZ REMARK 470 GLN H 151 CG CD OE1 NE2 REMARK 470 GLU I 16 CB CG CD OE1 OE2 REMARK 470 LEU I 19 CG CD1 CD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH H 327 O HOH H 395 2.08 REMARK 500 O ARG H 77A O HOH H 268 2.09 REMARK 500 O HOH I 113 O HOH I 247 2.10 REMARK 500 O HOH H 361 O HOH H 425 2.11 REMARK 500 OE1 GLU H 97A O HOH H 398 2.16 REMARK 500 ND2 ASN H 143 O HOH H 427 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH H 268 O HOH H 268 2656 1.45 REMARK 500 O HOH H 395 O HOH H 447 4555 2.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ALA L 1B N - CA - CB ANGL. DEV. = -8.5 DEGREES REMARK 500 ARG L 4 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG L 14D NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 MET H 26 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 MET H 32 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG H 35 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG H 50 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 PRO H 60B O - C - N ANGL. DEV. = -13.1 DEGREES REMARK 500 PRO H 60C C - N - CA ANGL. DEV. = 11.1 DEGREES REMARK 500 ARG H 67 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG H 73 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 77A NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 MET H 84 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG H 93 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG H 97 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 101 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 MET H 106 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG H 126 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 137 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 GLU H 146 O - C - N ANGL. DEV. = -11.0 DEGREES REMARK 500 ARG H 165 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 173 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG H 175 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 MET H 180 CG - SD - CE ANGL. DEV. = 10.1 DEGREES REMARK 500 ARG H 187 NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 MET H 201 CG - SD - CE ANGL. DEV. = 9.8 DEGREES REMARK 500 ARG H 206 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 MET H 210 CG - SD - CE ANGL. DEV. = 9.9 DEGREES REMARK 500 ARG H 221 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG H 233 NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE L 7 -85.20 -134.43 REMARK 500 TYR H 60A 82.95 -152.58 REMARK 500 ASN H 60G 76.74 -160.31 REMARK 500 HIS H 71 -60.29 -135.07 REMARK 500 ILE H 79 -62.75 -126.64 REMARK 500 GLU H 97A -78.88 -116.00 REMARK 500 TYR I 18 -79.53 -110.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 LEU H 123 10.96 REMARK 500 PRO H 124 12.41 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ALA L 1B 45.7 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 HOH H 412 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE T29 H 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN I OF BORONATE INHIBITOR REMARK 800 BOROLOG1 DBREF 1A3B L 1H 14N UNP P00734 THRB_HUMAN 328 363 DBREF 1A3B H 16 247 UNP P00734 THRB_HUMAN 364 622 DBREF 1A3B I 4 19 UNP P28504 ITHD_HIRME 49 64 SEQRES 1 L 36 THR PHE GLY SER GLY GLU ALA ASP CYS GLY LEU ARG PRO SEQRES 2 L 36 LEU PHE GLU LYS LYS SER LEU GLU ASP LYS THR GLU ARG SEQRES 3 L 36 GLU LEU LEU GLU SER TYR ILE ASP GLY ARG SEQRES 1 H 259 ILE VAL GLU GLY SER ASP ALA GLU ILE GLY MET SER PRO SEQRES 2 H 259 TRP GLN VAL MET LEU PHE ARG LYS SER PRO GLN GLU LEU SEQRES 3 H 259 LEU CYS GLY ALA SER LEU ILE SER ASP ARG TRP VAL LEU SEQRES 4 H 259 THR ALA ALA HIS CYS LEU LEU TYR PRO PRO TRP ASP LYS SEQRES 5 H 259 ASN PHE THR GLU ASN ASP LEU LEU VAL ARG ILE GLY LYS SEQRES 6 H 259 HIS SER ARG THR ARG TYR GLU ARG ASN ILE GLU LYS ILE SEQRES 7 H 259 SER MET LEU GLU LYS ILE TYR ILE HIS PRO ARG TYR ASN SEQRES 8 H 259 TRP ARG GLU ASN LEU ASP ARG ASP ILE ALA LEU MET LYS SEQRES 9 H 259 LEU LYS LYS PRO VAL ALA PHE SER ASP TYR ILE HIS PRO SEQRES 10 H 259 VAL CYS LEU PRO ASP ARG GLU THR ALA ALA SER LEU LEU SEQRES 11 H 259 GLN ALA GLY TYR LYS GLY ARG VAL THR GLY TRP GLY ASN SEQRES 12 H 259 LEU LYS GLU THR TRP THR ALA ASN VAL GLY LYS GLY GLN SEQRES 13 H 259 PRO SER VAL LEU GLN VAL VAL ASN LEU PRO ILE VAL GLU SEQRES 14 H 259 ARG PRO VAL CYS LYS ASP SER THR ARG ILE ARG ILE THR SEQRES 15 H 259 ASP ASN MET PHE CYS ALA GLY TYR LYS PRO ASP GLU GLY SEQRES 16 H 259 LYS ARG GLY ASP ALA CYS GLU GLY ASP SER GLY GLY PRO SEQRES 17 H 259 PHE VAL MET LYS SER PRO PHE ASN ASN ARG TRP TYR GLN SEQRES 18 H 259 MET GLY ILE VAL SER TRP GLY GLU GLY CYS ASP ARG ASP SEQRES 19 H 259 GLY LYS TYR GLY PHE TYR THR HIS VAL PHE ARG LEU LYS SEQRES 20 H 259 LYS TRP ILE GLN LYS VAL ILE ASP GLN PHE GLY GLU SEQRES 1 I 18 GLY GLY GLN SER HIS ASN ASP GLY ASP PHE GLU GLU ILE SEQRES 2 I 18 PRO GLU GLU TYR LEU HET T29 H 1 34 HETNAM T29 TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) FORMUL 4 T29 C22 H34 B N5 O5 S FORMUL 5 HOH *247(H2 O) HELIX 1 1 GLU L 8 LYS L 10 5 3 HELIX 2 2 GLU L 14C SER L 14I 1 7 HELIX 3 3 ALA H 56 CYS H 58 5 3 HELIX 4 4 PRO H 60B TRP H 60D 5 3 HELIX 5 5 GLU H 61 ASP H 63 5 3 HELIX 6 6 ARG H 126 LEU H 129C 1 7 HELIX 7 7 ARG H 165 SER H 171 1 7 HELIX 8 8 PRO H 186 GLU H 186B 5 3 HELIX 9 9 PHE H 232 ASP H 243 5 12 SHEET 1 A 4 LYS H 81 MET H 84 0 SHEET 2 A 4 LEU H 64 ILE H 68 -1 N ILE H 68 O LYS H 81 SHEET 3 A 4 GLN H 30 ARG H 35 -1 N PHE H 34 O LEU H 65 SHEET 4 A 4 GLU H 39 SER H 45 -1 N ALA H 44 O VAL H 31 SHEET 1 B 3 TRP H 51 THR H 54 0 SHEET 2 B 3 ALA H 104 LEU H 108 -1 N MET H 106 O VAL H 52 SHEET 3 B 3 LEU H 85 ILE H 90 -1 N TYR H 89 O LEU H 105 SHEET 1 C 2 LYS H 135 GLY H 140 0 SHEET 2 C 2 GLN H 156 PRO H 161 -1 N LEU H 160 O GLY H 136 SHEET 1 D 4 MET H 180 ALA H 183 0 SHEET 2 D 4 GLY H 226 HIS H 230 -1 N TYR H 228 O PHE H 181 SHEET 3 D 4 TRP H 207 TRP H 215 -1 N TRP H 215 O PHE H 227 SHEET 4 D 4 PRO H 198 LYS H 202 -1 N MET H 201 O TYR H 208 SSBOND 1 CYS L 1 CYS H 122 1555 1555 1.89 SSBOND 2 CYS H 42 CYS H 58 1555 1555 2.34 SSBOND 3 CYS H 168 CYS H 182 1555 1555 1.97 SSBOND 4 CYS H 191 CYS H 220 1555 1555 2.19 LINK B T29 H 1 OG SER H 195 1555 1555 1.60 CISPEP 1 SER H 37 PRO H 37A 0 -1.41 SITE 1 AC1 18 HIS H 57 TYR H 60A TRP H 60D GLU H 97A SITE 2 AC1 18 LEU H 99 ILE H 174 ASP H 189 ALA H 190 SITE 3 AC1 18 GLY H 193 ASP H 194 SER H 195 SER H 214 SITE 4 AC1 18 TRP H 215 GLY H 216 GLY H 219 GLY H 226 SITE 5 AC1 18 HOH H 275 HOH H 449 SITE 1 AC2 14 PHE H 34 GLN H 38 ARG H 67 ARG H 73 SITE 2 AC2 14 THR H 74 ARG H 75 TYR H 76 ILE H 82 SITE 3 AC2 14 MET H 84 HOH H 282 HOH H 317 HOH I 113 SITE 4 AC2 14 HOH I 214 HOH I 247 CRYST1 70.150 71.340 71.650 90.00 100.23 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 0.014255 0.000000 0.002573 0.00000 SCALE2 0.000000 0.014017 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014182 0.00000 ATOM 1 N ALA L 1B 15.110 18.115 15.087 1.00 36.99 N ATOM 2 CA ALA L 1B 15.151 19.655 15.324 1.00 44.33 C ATOM 3 C ALA L 1B 16.619 19.913 15.465 1.00 31.21 C ATOM 4 O ALA L 1B 17.199 20.722 14.728 1.00 27.87 O ATOM 5 CB ALA L 1B 14.328 19.790 16.582 1.00 36.57 C ATOM 6 N ASP L 1A 17.075 19.131 16.396 1.00 24.26 N ATOM 7 CA ASP L 1A 18.455 18.973 16.762 1.00 24.64 C ATOM 8 C ASP L 1A 18.725 17.483 16.620 1.00 18.66 C ATOM 9 O ASP L 1A 19.822 16.999 16.911 1.00 19.27 O ATOM 10 CB ASP L 1A 18.645 19.446 18.202 1.00 31.66 C ATOM 11 CG ASP L 1A 20.085 19.313 18.682 1.00 39.01 C ATOM 12 OD1 ASP L 1A 21.043 19.254 17.822 1.00 60.26 O ATOM 13 OD2 ASP L 1A 20.339 19.261 19.944 1.00 57.76 O ATOM 14 N CYS L 1 17.664 16.833 16.160 1.00 17.75 N ATOM 15 CA CYS L 1 17.614 15.384 15.950 1.00 18.84 C ATOM 16 C CYS L 1 18.695 14.923 14.970 1.00 15.87 C ATOM 17 O CYS L 1 19.015 15.618 13.998 1.00 14.39 O ATOM 18 CB CYS L 1 16.251 14.985 15.367 1.00 20.41 C ATOM 19 SG CYS L 1 16.089 15.371 13.593 1.00 18.36 S ATOM 20 N GLY L 2 19.224 13.755 15.285 1.00 15.56 N ATOM 21 CA GLY L 2 20.212 13.059 14.445 1.00 11.86 C ATOM 22 C GLY L 2 21.631 13.651 14.541 1.00 16.01 C ATOM 23 O GLY L 2 22.536 13.255 13.796 1.00 15.28 O ATOM 24 N LEU L 3 21.824 14.595 15.437 1.00 15.22 N ATOM 25 CA LEU L 3 23.158 15.198 15.651 1.00 13.04 C ATOM 26 C LEU L 3 23.665 14.745 17.026 1.00 13.60 C ATOM 27 O LEU L 3 23.179 15.204 18.066 1.00 18.09 O ATOM 28 CB LEU L 3 23.066 16.728 15.581 1.00 14.72 C ATOM 29 CG LEU L 3 22.591 17.248 14.217 1.00 21.82 C ATOM 30 CD1 LEU L 3 22.354 18.761 14.200 1.00 17.76 C ATOM 31 CD2 LEU L 3 23.587 16.978 13.086 1.00 21.15 C ATOM 32 N ARG L 4 24.632 13.840 17.000 1.00 13.40 N ATOM 33 CA ARG L 4 25.193 13.236 18.229 1.00 11.34 C ATOM 34 C ARG L 4 26.060 14.245 19.000 1.00 16.03 C ATOM 35 O ARG L 4 27.021 14.707 18.401 1.00 16.06 O ATOM 36 CB ARG L 4 25.993 11.995 17.864 1.00 12.73 C ATOM 37 CG ARG L 4 25.093 10.876 17.341 1.00 11.58 C ATOM 38 CD ARG L 4 25.871 9.723 16.721 1.00 14.24 C ATOM 39 NE ARG L 4 26.800 10.156 15.672 1.00 14.60 N ATOM 40 CZ ARG L 4 27.725 9.361 15.125 1.00 11.63 C ATOM 41 NH1 ARG L 4 27.855 8.086 15.516 1.00 16.28 N ATOM 42 NH2 ARG L 4 28.575 9.752 14.167 1.00 9.85 N ATOM 43 N PRO L 5 25.826 14.295 20.267 1.00 15.91 N ATOM 44 CA PRO L 5 26.686 15.300 21.106 1.00 16.07 C ATOM 45 C PRO L 5 28.086 14.943 21.022 1.00 16.91 C ATOM 46 O PRO L 5 29.040 15.819 20.971 1.00 17.38 O ATOM 47 CB PRO L 5 26.145 15.039 22.526 1.00 13.44 C ATOM 48 CG PRO L 5 24.657 14.788 22.280 1.00 19.04 C ATOM 49 CD PRO L 5 24.618 13.907 21.029 1.00 14.10 C ATOM 50 N LEU L 6 28.475 13.643 20.953 1.00 13.66 N ATOM 51 CA LEU L 6 29.869 13.215 21.000 1.00 13.55 C ATOM 52 C LEU L 6 30.491 13.016 19.619 1.00 14.65 C ATOM 53 O LEU L 6 31.648 12.591 19.494 1.00 16.57 O ATOM 54 CB LEU L 6 30.139 11.949 21.815 1.00 15.04 C ATOM 55 CG LEU L 6 29.739 12.122 23.282 1.00 19.26 C ATOM 56 CD1 LEU L 6 29.921 10.852 24.110 1.00 17.99 C ATOM 57 CD2 LEU L 6 30.549 13.208 23.996 1.00 20.61 C ATOM 58 N PHE L 7 29.752 13.341 18.579 1.00 16.48 N ATOM 59 CA PHE L 7 30.288 13.183 17.222 1.00 16.75 C ATOM 60 C PHE L 7 29.994 14.432 16.371 1.00 15.62 C ATOM 61 O PHE L 7 30.822 15.343 16.268 1.00 18.38 O ATOM 62 CB PHE L 7 29.775 11.869 16.640 1.00 15.65 C ATOM 63 CG PHE L 7 30.464 10.689 17.336 1.00 13.15 C ATOM 64 CD1 PHE L 7 31.799 10.384 17.034 1.00 16.87 C ATOM 65 CD2 PHE L 7 29.778 9.929 18.293 1.00 16.66 C ATOM 66 CE1 PHE L 7 32.447 9.333 17.695 1.00 17.61 C ATOM 67 CE2 PHE L 7 30.429 8.882 18.957 1.00 13.53 C ATOM 68 CZ PHE L 7 31.763 8.585 18.660 1.00 15.76 C ATOM 69 N GLU L 8 28.825 14.497 15.767 1.00 14.30 N ATOM 70 CA GLU L 8 28.479 15.637 14.884 1.00 13.40 C ATOM 71 C GLU L 8 28.592 16.998 15.598 1.00 16.79 C ATOM 72 O GLU L 8 29.102 17.977 15.035 1.00 16.07 O ATOM 73 CB GLU L 8 27.051 15.512 14.361 1.00 13.06 C ATOM 74 CG GLU L 8 26.922 14.508 13.218 1.00 15.78 C ATOM 75 CD GLU L 8 26.922 13.061 13.705 1.00 16.57 C ATOM 76 OE1 GLU L 8 26.616 12.796 14.930 1.00 15.02 O ATOM 77 OE2 GLU L 8 27.227 12.108 12.893 1.00 12.83 O ATOM 78 N LYS L 9 28.112 17.048 16.828 1.00 14.64 N ATOM 79 CA LYS L 9 28.103 18.296 17.622 1.00 16.76 C ATOM 80 C LYS L 9 29.527 18.837 17.858 1.00 18.70 C ATOM 81 O LYS L 9 29.729 20.054 17.997 1.00 18.75 O ATOM 82 CB LYS L 9 27.456 18.065 18.989 1.00 14.95 C ATOM 83 CG LYS L 9 27.345 19.352 19.814 1.00 29.68 C ATOM 84 CD LYS L 9 26.319 19.257 20.943 1.00 40.64 C ATOM 85 CE LYS L 9 26.693 20.105 22.160 1.00 43.34 C ATOM 86 NZ LYS L 9 26.105 19.604 23.411 1.00 60.82 N ATOM 87 N LYS L 10 30.484 17.918 17.900 1.00 15.23 N ATOM 88 CA LYS L 10 31.911 18.248 18.145 1.00 24.70 C ATOM 89 C LYS L 10 32.756 18.145 16.866 1.00 17.95 C ATOM 90 O LYS L 10 33.969 18.400 16.881 1.00 17.41 O ATOM 91 CB LYS L 10 32.547 17.252 19.119 1.00 23.78 C ATOM 92 CG LYS L 10 32.028 17.355 20.551 1.00 39.92 C ATOM 93 CD LYS L 10 32.465 16.168 21.420 1.00 21.83 C ATOM 94 CE LYS L 10 33.790 16.408 22.150 1.00 39.61 C ATOM 95 NZ LYS L 10 33.915 15.620 23.385 1.00 30.93 N ATOM 96 N SER L 11 32.094 17.760 15.798 1.00 15.96 N ATOM 97 CA SER L 11 32.729 17.565 14.481 1.00 17.06 C ATOM 98 C SER L 11 33.782 16.453 14.533 1.00 22.91 C ATOM 99 O SER L 11 34.875 16.580 13.959 1.00 23.97 O ATOM 100 CB SER L 11 33.407 18.843 13.986 1.00 19.24 C ATOM 101 OG SER L 11 33.708 18.728 12.603 1.00 21.30 O ATOM 102 N LEU L 12 33.408 15.404 15.233 1.00 17.26 N ATOM 103 CA LEU L 12 34.209 14.178 15.351 1.00 16.25 C ATOM 104 C LEU L 12 33.461 13.076 14.610 1.00 19.19 C ATOM 105 O LEU L 12 32.228 12.992 14.668 1.00 19.15 O ATOM 106 CB LEU L 12 34.355 13.766 16.823 1.00 15.63 C ATOM 107 CG LEU L 12 35.330 14.635 17.622 1.00 15.31 C ATOM 108 CD1 LEU L 12 35.527 14.139 19.060 1.00 20.27 C ATOM 109 CD2 LEU L 12 36.731 14.691 17.012 1.00 28.96 C ATOM 110 N GLU L 13 34.194 12.248 13.911 1.00 19.05 N ATOM 111 CA GLU L 13 33.586 11.145 13.157 1.00 18.60 C ATOM 112 C GLU L 13 33.825 9.832 13.884 1.00 18.14 C ATOM 113 O GLU L 13 34.874 9.629 14.508 1.00 19.73 O ATOM 114 CB GLU L 13 34.214 11.051 11.767 1.00 18.52 C ATOM 115 CG GLU L 13 33.640 12.072 10.788 1.00 32.98 C ATOM 116 CD GLU L 13 34.307 12.024 9.414 1.00 37.80 C ATOM 117 OE1 GLU L 13 35.031 11.010 9.084 1.00 47.46 O ATOM 118 OE2 GLU L 13 34.142 12.998 8.586 1.00 42.86 O ATOM 119 N ASP L 14 32.843 8.951 13.813 1.00 13.89 N ATOM 120 CA ASP L 14 33.005 7.628 14.414 1.00 16.25 C ATOM 121 C ASP L 14 33.837 6.810 13.426 1.00 12.13 C ATOM 122 O ASP L 14 34.082 7.239 12.289 1.00 17.78 O ATOM 123 CB ASP L 14 31.649 7.018 14.804 1.00 13.73 C ATOM 124 CG ASP L 14 30.780 6.585 13.624 1.00 11.63 C ATOM 125 OD1 ASP L 14 31.290 5.897 12.663 1.00 16.42 O ATOM 126 OD2 ASP L 14 29.527 6.901 13.600 1.00 15.87 O ATOM 127 N LYS L 14A 34.253 5.660 13.875 1.00 17.05 N ATOM 128 CA LYS L 14A 35.207 4.829 13.135 1.00 17.62 C ATOM 129 C LYS L 14A 34.661 4.169 11.860 1.00 20.01 C ATOM 130 O LYS L 14A 35.422 3.702 11.005 1.00 19.56 O ATOM 131 CB LYS L 14A 35.746 3.739 14.047 1.00 25.46 C ATOM 132 CG LYS L 14A 36.778 4.298 15.024 1.00 40.38 C ATOM 133 CD LYS L 14A 37.320 3.264 16.002 1.00 46.86 C ATOM 134 CE LYS L 14A 38.045 3.898 17.192 1.00 52.58 C ATOM 135 NZ LYS L 14A 38.853 5.070 16.821 1.00 53.51 N ATOM 136 N THR L 14B 33.365 4.102 11.655 1.00 18.16 N ATOM 137 CA THR L 14B 32.895 3.413 10.439 1.00 20.51 C ATOM 138 C THR L 14B 31.828 4.181 9.659 1.00 18.59 C ATOM 139 O THR L 14B 31.267 3.678 8.678 1.00 18.65 O ATOM 140 CB THR L 14B 32.307 2.045 10.780 1.00 15.96 C ATOM 141 OG1 THR L 14B 31.094 2.200 11.499 1.00 17.68 O ATOM 142 CG2 THR L 14B 33.244 1.188 11.633 1.00 22.33 C ATOM 143 N GLU L 14C 31.536 5.399 10.051 1.00 13.73 N ATOM 144 CA GLU L 14C 30.488 6.154 9.347 1.00 11.26 C ATOM 145 C GLU L 14C 30.916 6.487 7.905 1.00 16.15 C ATOM 146 O GLU L 14C 30.076 6.745 7.030 1.00 15.23 O ATOM 147 CB GLU L 14C 30.107 7.422 10.112 1.00 13.86 C ATOM 148 CG GLU L 14C 31.243 8.425 10.287 1.00 14.11 C ATOM 149 CD GLU L 14C 30.749 9.748 10.880 1.00 12.71 C ATOM 150 OE1 GLU L 14C 30.679 9.898 12.160 1.00 15.71 O ATOM 151 OE2 GLU L 14C 30.394 10.711 10.098 1.00 14.71 O ATOM 152 N ARG L 14D 32.216 6.467 7.664 1.00 14.42 N ATOM 153 CA ARG L 14D 32.766 6.744 6.320 1.00 15.54 C ATOM 154 C ARG L 14D 32.314 5.653 5.338 1.00 12.85 C ATOM 155 O ARG L 14D 32.097 5.911 4.145 1.00 19.04 O ATOM 156 CB ARG L 14D 34.297 6.769 6.360 1.00 21.50 C ATOM 157 CG ARG L 14D 34.925 7.362 5.092 1.00 30.55 C ATOM 158 CD ARG L 14D 35.087 8.883 5.163 1.00 61.48 C ATOM 159 NE ARG L 14D 36.312 9.369 4.509 1.00 68.55 N ATOM 160 CZ ARG L 14D 37.156 10.251 5.063 1.00 72.23 C ATOM 161 NH1 ARG L 14D 36.926 10.750 6.286 1.00 51.74 N ATOM 162 NH2 ARG L 14D 38.268 10.702 4.468 1.00 77.25 N ATOM 163 N GLU L 14E 32.182 4.447 5.875 1.00 18.35 N ATOM 164 CA GLU L 14E 31.759 3.272 5.092 1.00 16.56 C ATOM 165 C GLU L 14E 30.367 3.506 4.506 1.00 14.73 C ATOM 166 O GLU L 14E 30.067 3.091 3.378 1.00 14.81 O ATOM 167 CB GLU L 14E 31.715 2.017 5.967 1.00 20.44 C ATOM 168 CG GLU L 14E 31.291 0.767 5.186 1.00 27.10 C ATOM 169 CD GLU L 14E 31.160 -0.479 6.064 1.00 27.64 C ATOM 170 OE1 GLU L 14E 31.458 -0.419 7.318 1.00 24.29 O ATOM 171 OE2 GLU L 14E 30.751 -1.591 5.552 1.00 22.03 O ATOM 172 N LEU L 14F 29.540 4.167 5.292 1.00 16.74 N ATOM 173 CA LEU L 14F 28.172 4.498 4.877 1.00 15.34 C ATOM 174 C LEU L 14F 28.214 5.523 3.743 1.00 15.16 C ATOM 175 O LEU L 14F 27.589 5.342 2.691 1.00 18.02 O ATOM 176 CB LEU L 14F 27.384 5.104 6.038 1.00 17.20 C ATOM 177 CG LEU L 14F 27.302 4.194 7.264 1.00 20.36 C ATOM 178 CD1 LEU L 14F 26.278 4.677 8.295 1.00 21.83 C ATOM 179 CD2 LEU L 14F 26.901 2.758 6.923 1.00 21.20 C ATOM 180 N LEU L 14G 28.963 6.582 3.996 1.00 14.40 N ATOM 181 CA LEU L 14G 29.115 7.688 3.040 1.00 14.39 C ATOM 182 C LEU L 14G 29.622 7.185 1.687 1.00 15.25 C ATOM 183 O LEU L 14G 29.156 7.617 0.625 1.00 15.87 O ATOM 184 CB LEU L 14G 30.111 8.727 3.574 1.00 16.35 C ATOM 185 CG LEU L 14G 30.361 9.881 2.599 1.00 19.61 C ATOM 186 CD1 LEU L 14G 29.084 10.638 2.226 1.00 20.24 C ATOM 187 CD2 LEU L 14G 31.318 10.938 3.156 1.00 18.33 C ATOM 188 N GLU L 14H 30.567 6.273 1.751 1.00 17.69 N ATOM 189 CA GLU L 14H 31.209 5.724 0.550 1.00 20.43 C ATOM 190 C GLU L 14H 30.238 4.856 -0.270 1.00 20.25 C ATOM 191 O GLU L 14H 30.476 4.573 -1.453 1.00 17.50 O ATOM 192 CB GLU L 14H 32.433 4.900 0.953 1.00 18.40 C ATOM 193 CG GLU L 14H 33.633 5.786 1.305 1.00 18.90 C ATOM 194 CD GLU L 14H 34.787 5.025 1.958 1.00 22.63 C ATOM 195 OE1 GLU L 14H 34.658 3.773 2.237 1.00 26.74 O ATOM 196 OE2 GLU L 14H 35.892 5.637 2.225 1.00 27.63 O ATOM 197 N SER L 14I 29.147 4.452 0.362 1.00 16.78 N ATOM 198 CA SER L 14I 28.137 3.594 -0.293 1.00 16.80 C ATOM 199 C SER L 14I 27.028 4.439 -0.951 1.00 18.15 C ATOM 200 O SER L 14I 26.282 3.958 -1.815 1.00 21.21 O ATOM 201 CB SER L 14I 27.510 2.638 0.722 1.00 19.97 C ATOM 202 OG SER L 14I 26.590 3.335 1.543 1.00 18.99 O ATOM 203 N TYR L 14J 26.928 5.691 -0.526 1.00 15.76 N ATOM 204 CA TYR L 14J 25.943 6.642 -1.091 1.00 15.57 C ATOM 205 C TYR L 14J 26.551 7.269 -2.345 1.00 28.81 C ATOM 206 O TYR L 14J 27.097 8.382 -2.303 1.00 24.65 O ATOM 207 CB TYR L 14J 25.615 7.733 -0.071 1.00 16.05 C ATOM 208 CG TYR L 14J 25.177 7.178 1.286 1.00 20.15 C ATOM 209 CD1 TYR L 14J 24.620 5.895 1.378 1.00 16.24 C ATOM 210 CD2 TYR L 14J 25.333 7.956 2.439 1.00 17.86 C ATOM 211 CE1 TYR L 14J 24.223 5.392 2.624 1.00 16.50 C ATOM 212 CE2 TYR L 14J 24.937 7.453 3.684 1.00 21.41 C ATOM 213 CZ TYR L 14J 24.383 6.170 3.777 1.00 20.60 C ATOM 214 OH TYR L 14J 24.000 5.682 4.988 1.00 17.01 O ATOM 215 N ILE L 14K 26.423 6.523 -3.423 1.00 32.15 N ATOM 216 CA ILE L 14K 27.045 6.862 -4.707 1.00 41.36 C ATOM 217 C ILE L 14K 26.127 7.552 -5.693 1.00 50.46 C ATOM 218 O ILE L 14K 25.837 8.782 -5.482 1.00 59.53 O ATOM 219 CB ILE L 14K 27.517 5.586 -5.400 1.00 42.46 C ATOM 220 CG1 ILE L 14K 26.382 4.582 -5.613 1.00 41.28 C ATOM 221 CG2 ILE L 14K 28.595 4.841 -4.610 1.00 41.66 C ATOM 222 CD1 ILE L 14K 26.818 3.339 -6.388 1.00 48.00 C TER 223 ILE L 14K ATOM 224 N ILE H 16 23.509 -8.759 17.618 1.00 13.87 N ATOM 225 CA ILE H 16 24.222 -8.566 16.338 1.00 17.31 C ATOM 226 C ILE H 16 25.343 -9.603 16.140 1.00 21.27 C ATOM 227 O ILE H 16 26.142 -9.866 17.049 1.00 22.18 O ATOM 228 CB ILE H 16 24.941 -7.190 16.272 1.00 17.58 C ATOM 229 CG1 ILE H 16 24.026 -6.019 16.636 1.00 19.35 C ATOM 230 CG2 ILE H 16 25.493 -6.870 14.882 1.00 17.10 C ATOM 231 CD1 ILE H 16 22.922 -5.778 15.604 1.00 18.51 C ATOM 232 N VAL H 17 25.380 -10.156 14.933 1.00 18.56 N ATOM 233 CA VAL H 17 26.403 -11.145 14.533 1.00 22.11 C ATOM 234 C VAL H 17 27.427 -10.496 13.600 1.00 21.49 C ATOM 235 O VAL H 17 27.069 -9.821 12.628 1.00 24.33 O ATOM 236 CB VAL H 17 25.768 -12.309 13.760 1.00 21.79 C ATOM 237 CG1 VAL H 17 26.774 -13.407 13.396 1.00 19.15 C ATOM 238 CG2 VAL H 17 24.652 -13.010 14.533 1.00 21.58 C ATOM 239 N GLU H 18 28.685 -10.711 13.923 1.00 18.88 N ATOM 240 CA GLU H 18 29.806 -10.207 13.114 1.00 25.46 C ATOM 241 C GLU H 18 29.855 -8.680 13.092 1.00 22.52 C ATOM 242 O GLU H 18 30.229 -8.066 12.081 1.00 23.39 O ATOM 243 CB GLU H 18 29.670 -10.696 11.674 1.00 29.84 C ATOM 244 CG GLU H 18 29.946 -12.193 11.525 1.00 44.50 C ATOM 245 CD GLU H 18 31.418 -12.550 11.731 1.00 44.13 C ATOM 246 OE1 GLU H 18 32.337 -11.864 11.141 1.00 41.85 O ATOM 247 OE2 GLU H 18 31.742 -13.538 12.496 1.00 54.70 O ATOM 248 N GLY H 19 29.475 -8.107 14.208 1.00 21.97 N ATOM 249 CA GLY H 19 29.515 -6.656 14.401 1.00 18.80 C ATOM 250 C GLY H 19 30.774 -6.326 15.195 1.00 24.60 C ATOM 251 O GLY H 19 31.743 -7.096 15.203 1.00 24.88 O ATOM 252 N SER H 20 30.731 -5.192 15.846 1.00 17.04 N ATOM 253 CA SER H 20 31.832 -4.728 16.699 1.00 24.35 C ATOM 254 C SER H 20 31.244 -3.844 17.797 1.00 23.90 C ATOM 255 O SER H 20 30.127 -3.323 17.668 1.00 22.70 O ATOM 256 CB SER H 20 32.845 -3.932 15.868 1.00 23.60 C ATOM 257 OG SER H 20 32.334 -2.636 15.591 1.00 33.09 O ATOM 258 N ASP H 21 31.999 -3.701 18.866 1.00 18.48 N ATOM 259 CA ASP H 21 31.582 -2.865 19.998 1.00 17.18 C ATOM 260 C ASP H 21 31.323 -1.447 19.513 1.00 21.50 C ATOM 261 O ASP H 21 32.098 -0.889 18.727 1.00 22.74 O ATOM 262 CB ASP H 21 32.687 -2.777 21.049 1.00 21.73 C ATOM 263 CG ASP H 21 32.947 -4.089 21.784 1.00 36.09 C ATOM 264 OD1 ASP H 21 32.287 -5.148 21.467 1.00 23.26 O ATOM 265 OD2 ASP H 21 33.834 -4.133 22.720 1.00 26.84 O ATOM 266 N ALA H 22 30.240 -0.888 19.987 1.00 20.39 N ATOM 267 CA ALA H 22 29.885 0.486 19.647 1.00 15.78 C ATOM 268 C ALA H 22 30.779 1.431 20.444 1.00 17.12 C ATOM 269 O ALA H 22 31.236 1.102 21.548 1.00 19.04 O ATOM 270 CB ALA H 22 28.421 0.752 20.002 1.00 21.80 C ATOM 271 N GLU H 23 31.031 2.581 19.858 1.00 21.57 N ATOM 272 CA GLU H 23 31.805 3.632 20.524 1.00 18.93 C ATOM 273 C GLU H 23 30.858 4.331 21.499 1.00 18.28 C ATOM 274 O GLU H 23 29.630 4.263 21.357 1.00 16.81 O ATOM 275 CB GLU H 23 32.320 4.641 19.497 1.00 16.55 C ATOM 276 CG GLU H 23 33.473 4.112 18.645 1.00 17.93 C ATOM 277 CD GLU H 23 33.807 5.033 17.470 1.00 23.20 C ATOM 278 OE1 GLU H 23 34.302 6.204 17.689 1.00 23.62 O ATOM 279 OE2 GLU H 23 33.590 4.639 16.261 1.00 22.00 O ATOM 280 N ILE H 24 31.421 4.991 22.484 1.00 14.75 N ATOM 281 CA ILE H 24 30.610 5.701 23.482 1.00 14.53 C ATOM 282 C ILE H 24 29.848 6.853 22.811 1.00 18.31 C ATOM 283 O ILE H 24 30.447 7.706 22.139 1.00 18.37 O ATOM 284 CB ILE H 24 31.498 6.265 24.591 1.00 18.72 C ATOM 285 CG1 ILE H 24 32.231 5.180 25.382 1.00 24.33 C ATOM 286 CG2 ILE H 24 30.713 7.073 25.628 1.00 17.08 C ATOM 287 CD1 ILE H 24 31.310 4.050 25.847 1.00 21.46 C ATOM 288 N GLY H 25 28.540 6.827 23.015 1.00 16.30 N ATOM 289 CA GLY H 25 27.608 7.850 22.494 1.00 15.50 C ATOM 290 C GLY H 25 27.473 7.765 20.964 1.00 15.46 C ATOM 291 O GLY H 25 27.089 8.736 20.298 1.00 15.47 O ATOM 292 N MET H 26 27.774 6.598 20.426 1.00 12.89 N ATOM 293 CA MET H 26 27.719 6.361 18.968 1.00 12.10 C ATOM 294 C MET H 26 26.264 6.266 18.466 1.00 14.10 C ATOM 295 O MET H 26 25.957 6.611 17.317 1.00 15.82 O ATOM 296 CB MET H 26 28.437 5.057 18.624 1.00 13.79 C ATOM 297 CG MET H 26 28.576 4.824 17.119 1.00 21.12 C ATOM 298 SD MET H 26 29.273 3.233 16.729 1.00 19.71 S ATOM 299 CE MET H 26 30.443 3.390 15.399 1.00 20.43 C ATOM 300 N SER H 27 25.398 5.794 19.341 1.00 16.70 N ATOM 301 CA SER H 27 23.960 5.605 19.041 1.00 12.93 C ATOM 302 C SER H 27 23.180 6.121 20.162 1.00 14.18 C ATOM 303 O SER H 27 22.575 5.297 20.891 1.00 15.18 O ATOM 304 CB SER H 27 23.696 4.106 18.869 1.00 15.44 C ATOM 305 OG SER H 27 22.474 3.894 18.191 1.00 19.26 O ATOM 306 N PRO H 28 23.112 7.440 20.412 1.00 13.89 N ATOM 307 CA PRO H 28 22.496 7.970 21.608 1.00 18.27 C ATOM 308 C PRO H 28 21.020 7.936 21.636 1.00 16.52 C ATOM 309 O PRO H 28 20.387 8.185 22.677 1.00 14.99 O ATOM 310 CB PRO H 28 23.115 9.448 21.744 1.00 15.58 C ATOM 311 CG PRO H 28 23.205 9.775 20.217 1.00 13.70 C ATOM 312 CD PRO H 28 23.765 8.501 19.574 1.00 11.32 C ATOM 313 N TRP H 29 20.332 7.479 20.547 1.00 12.31 N ATOM 314 CA TRP H 29 18.966 7.264 20.497 1.00 11.41 C ATOM 315 C TRP H 29 18.615 5.799 20.808 1.00 13.69 C ATOM 316 O TRP H 29 17.439 5.412 20.833 1.00 15.29 O ATOM 317 CB TRP H 29 18.442 7.613 19.081 1.00 8.65 C ATOM 318 CG TRP H 29 19.483 7.267 18.002 1.00 11.04 C ATOM 319 CD1 TRP H 29 19.735 6.057 17.476 1.00 15.31 C ATOM 320 CD2 TRP H 29 20.371 8.193 17.386 1.00 12.01 C ATOM 321 NE1 TRP H 29 20.793 6.218 16.522 1.00 12.46 N ATOM 322 CE2 TRP H 29 21.152 7.477 16.486 1.00 13.76 C ATOM 323 CE3 TRP H 29 20.572 9.571 17.518 1.00 11.03 C ATOM 324 CZ2 TRP H 29 22.146 8.069 15.696 1.00 15.48 C ATOM 325 CZ3 TRP H 29 21.573 10.158 16.716 1.00 18.88 C ATOM 326 CH2 TRP H 29 22.322 9.442 15.849 1.00 13.53 C ATOM 327 N GLN H 30 19.637 4.994 21.044 1.00 12.54 N ATOM 328 CA GLN H 30 19.442 3.564 21.356 1.00 14.04 C ATOM 329 C GLN H 30 18.691 3.403 22.677 1.00 17.34 C ATOM 330 O GLN H 30 19.043 4.018 23.691 1.00 14.73 O ATOM 331 CB GLN H 30 20.781 2.843 21.502 1.00 14.19 C ATOM 332 CG GLN H 30 20.639 1.321 21.421 1.00 15.36 C ATOM 333 CD GLN H 30 20.468 0.833 19.985 1.00 19.80 C ATOM 334 OE1 GLN H 30 20.977 1.468 19.063 1.00 30.73 O ATOM 335 NE2 GLN H 30 19.779 -0.262 19.736 1.00 20.87 N ATOM 336 N VAL H 31 17.669 2.573 22.633 1.00 13.86 N ATOM 337 CA VAL H 31 16.849 2.280 23.816 1.00 12.51 C ATOM 338 C VAL H 31 16.737 0.775 24.014 1.00 18.49 C ATOM 339 O VAL H 31 16.672 0.005 23.045 1.00 18.98 O ATOM 340 CB VAL H 31 15.433 2.837 23.644 1.00 13.66 C ATOM 341 CG1 VAL H 31 14.492 2.438 24.782 1.00 16.19 C ATOM 342 CG2 VAL H 31 15.393 4.366 23.590 1.00 13.60 C ATOM 343 N MET H 32 16.721 0.403 25.273 1.00 16.22 N ATOM 344 CA MET H 32 16.578 -0.996 25.672 1.00 15.09 C ATOM 345 C MET H 32 15.236 -1.191 26.372 1.00 17.50 C ATOM 346 O MET H 32 14.934 -0.524 27.371 1.00 16.69 O ATOM 347 CB MET H 32 17.692 -1.405 26.642 1.00 17.54 C ATOM 348 CG MET H 32 17.447 -2.781 27.276 1.00 17.20 C ATOM 349 SD MET H 32 18.691 -3.241 28.463 1.00 21.60 S ATOM 350 CE MET H 32 20.277 -3.368 27.665 1.00 20.36 C ATOM 351 N LEU H 33 14.456 -2.092 25.810 1.00 16.68 N ATOM 352 CA LEU H 33 13.166 -2.485 26.390 1.00 20.62 C ATOM 353 C LEU H 33 13.471 -3.615 27.371 1.00 18.80 C ATOM 354 O LEU H 33 13.978 -4.677 26.984 1.00 22.82 O ATOM 355 CB LEU H 33 12.215 -2.943 25.287 1.00 19.06 C ATOM 356 CG LEU H 33 12.048 -1.907 24.174 1.00 31.88 C ATOM 357 CD1 LEU H 33 10.993 -2.304 23.140 1.00 31.82 C ATOM 358 CD2 LEU H 33 11.619 -0.533 24.696 1.00 43.13 C ATOM 359 N PHE H 34 13.161 -3.348 28.614 1.00 27.73 N ATOM 360 CA PHE H 34 13.498 -4.246 29.723 1.00 28.11 C ATOM 361 C PHE H 34 12.238 -4.694 30.472 1.00 20.18 C ATOM 362 O PHE H 34 11.419 -3.866 30.900 1.00 25.06 O ATOM 363 CB PHE H 34 14.423 -3.451 30.652 1.00 24.40 C ATOM 364 CG PHE H 34 15.179 -4.256 31.711 1.00 24.12 C ATOM 365 CD1 PHE H 34 16.247 -5.093 31.350 1.00 27.01 C ATOM 366 CD2 PHE H 34 14.814 -4.128 33.054 1.00 34.79 C ATOM 367 CE1 PHE H 34 16.949 -5.796 32.342 1.00 28.61 C ATOM 368 CE2 PHE H 34 15.517 -4.826 34.044 1.00 23.77 C ATOM 369 CZ PHE H 34 16.586 -5.659 33.689 1.00 34.01 C ATOM 370 N ARG H 35 12.129 -6.005 30.599 1.00 28.58 N ATOM 371 CA ARG H 35 11.040 -6.645 31.343 1.00 32.56 C ATOM 372 C ARG H 35 11.384 -6.557 32.824 1.00 29.38 C ATOM 373 O ARG H 35 12.508 -6.862 33.238 1.00 32.06 O ATOM 374 CB ARG H 35 10.908 -8.107 30.917 1.00 29.90 C ATOM 375 CG ARG H 35 9.666 -8.787 31.493 1.00 28.99 C ATOM 376 CD ARG H 35 9.674 -10.301 31.295 1.00 31.78 C ATOM 377 NE ARG H 35 8.353 -10.909 31.486 1.00 42.36 N ATOM 378 CZ ARG H 35 7.946 -12.022 30.865 1.00 48.02 C ATOM 379 NH1 ARG H 35 8.749 -12.662 30.004 1.00 52.00 N ATOM 380 NH2 ARG H 35 6.741 -12.579 31.041 1.00 51.66 N ATOM 381 N LYS H 36 10.417 -6.133 33.593 1.00 36.62 N ATOM 382 CA LYS H 36 10.605 -5.936 35.031 1.00 42.60 C ATOM 383 C LYS H 36 10.903 -7.247 35.757 1.00 43.71 C ATOM 384 O LYS H 36 11.806 -7.317 36.604 1.00 45.29 O ATOM 385 CB LYS H 36 9.349 -5.347 35.644 1.00 29.40 C ATOM 386 CG LYS H 36 9.179 -3.870 35.318 1.00 36.80 C ATOM 387 CD LYS H 36 8.128 -3.197 36.190 1.00 32.00 C ATOM 388 CE LYS H 36 7.776 -1.793 35.710 1.00 30.22 C ATOM 389 NZ LYS H 36 6.602 -1.236 36.391 1.00 38.81 N ATOM 390 N SER H 37 10.142 -8.271 35.422 1.00 42.56 N ATOM 391 CA SER H 37 10.269 -9.563 36.106 1.00 39.34 C ATOM 392 C SER H 37 9.711 -10.685 35.297 1.00 32.47 C ATOM 393 O SER H 37 8.537 -10.574 34.938 1.00 39.33 O ATOM 394 CB SER H 37 9.489 -9.492 37.422 1.00 50.80 C ATOM 395 OG SER H 37 9.797 -10.602 38.240 1.00 74.25 O ATOM 396 N PRO H 37A 10.493 -11.695 34.968 1.00 35.35 N ATOM 397 CA PRO H 37A 11.889 -11.785 35.316 1.00 34.60 C ATOM 398 C PRO H 37A 12.721 -10.737 34.526 1.00 39.66 C ATOM 399 O PRO H 37A 12.221 -10.157 33.512 1.00 36.49 O ATOM 400 CB PRO H 37A 12.284 -13.173 34.887 1.00 37.50 C ATOM 401 CG PRO H 37A 11.188 -13.695 33.963 1.00 39.09 C ATOM 402 CD PRO H 37A 10.009 -12.819 34.113 1.00 35.32 C ATOM 403 N GLN H 38 13.773 -10.247 35.139 1.00 36.59 N ATOM 404 CA GLN H 38 14.477 -9.030 34.660 1.00 36.47 C ATOM 405 C GLN H 38 15.244 -9.455 33.415 1.00 41.02 C ATOM 406 O GLN H 38 16.195 -10.238 33.482 1.00 41.57 O ATOM 407 CB GLN H 38 15.509 -8.470 35.671 1.00 36.46 C ATOM 408 CG GLN H 38 14.883 -7.516 36.702 1.00 42.73 C ATOM 409 CD GLN H 38 15.893 -6.560 37.362 1.00 62.50 C ATOM 410 OE1 GLN H 38 17.076 -6.576 37.025 1.00 64.87 O ATOM 411 NE2 GLN H 38 15.492 -5.714 38.298 1.00 63.61 N ATOM 412 N GLU H 39 14.835 -8.979 32.265 1.00 32.04 N ATOM 413 CA GLU H 39 15.528 -9.374 31.038 1.00 30.75 C ATOM 414 C GLU H 39 15.330 -8.365 29.930 1.00 20.22 C ATOM 415 O GLU H 39 14.401 -7.549 29.963 1.00 25.17 O ATOM 416 CB GLU H 39 15.004 -10.723 30.541 1.00 34.38 C ATOM 417 CG GLU H 39 13.495 -10.739 30.293 1.00 37.79 C ATOM 418 CD GLU H 39 12.975 -12.145 29.997 1.00 53.22 C ATOM 419 OE1 GLU H 39 13.744 -13.164 30.186 1.00 55.13 O ATOM 420 OE2 GLU H 39 11.775 -12.312 29.561 1.00 37.89 O ATOM 421 N LEU H 40 16.235 -8.452 28.979 1.00 29.99 N ATOM 422 CA LEU H 40 16.165 -7.620 27.792 1.00 23.01 C ATOM 423 C LEU H 40 15.095 -8.187 26.890 1.00 26.04 C ATOM 424 O LEU H 40 15.098 -9.379 26.565 1.00 31.77 O ATOM 425 CB LEU H 40 17.467 -7.632 27.006 1.00 33.91 C ATOM 426 CG LEU H 40 17.252 -7.117 25.580 1.00 33.72 C ATOM 427 CD1 LEU H 40 17.925 -5.770 25.327 1.00 29.44 C ATOM 428 CD2 LEU H 40 17.781 -8.063 24.506 1.00 46.02 C ATOM 429 N LEU H 41 14.188 -7.341 26.496 1.00 17.90 N ATOM 430 CA LEU H 41 13.092 -7.776 25.641 1.00 19.10 C ATOM 431 C LEU H 41 13.388 -7.467 24.180 1.00 24.64 C ATOM 432 O LEU H 41 13.210 -8.317 23.297 1.00 26.16 O ATOM 433 CB LEU H 41 11.804 -7.087 26.058 1.00 20.04 C ATOM 434 CG LEU H 41 11.243 -7.634 27.372 1.00 37.66 C ATOM 435 CD1 LEU H 41 9.889 -7.030 27.742 1.00 27.59 C ATOM 436 CD2 LEU H 41 11.028 -9.150 27.343 1.00 27.87 C ATOM 437 N CYS H 42 13.837 -6.255 23.956 1.00 19.16 N ATOM 438 CA CYS H 42 14.152 -5.789 22.608 1.00 17.63 C ATOM 439 C CYS H 42 14.866 -4.455 22.645 1.00 18.92 C ATOM 440 O CYS H 42 15.096 -3.882 23.720 1.00 16.39 O ATOM 441 CB CYS H 42 12.863 -5.561 21.813 1.00 16.98 C ATOM 442 SG CYS H 42 12.126 -7.095 21.180 1.00 19.00 S ATOM 443 N GLY H 43 15.189 -4.028 21.453 1.00 15.15 N ATOM 444 CA GLY H 43 15.792 -2.731 21.220 1.00 11.64 C ATOM 445 C GLY H 43 14.658 -1.768 20.887 1.00 18.77 C ATOM 446 O GLY H 43 13.504 -2.184 20.700 1.00 14.99 O ATOM 447 N ALA H 44 15.016 -0.518 20.829 1.00 16.13 N ATOM 448 CA ALA H 44 14.084 0.564 20.515 1.00 13.52 C ATOM 449 C ALA H 44 14.899 1.809 20.223 1.00 14.92 C ATOM 450 O ALA H 44 16.134 1.794 20.304 1.00 13.21 O ATOM 451 CB ALA H 44 13.148 0.807 21.702 1.00 16.31 C ATOM 452 N SER H 45 14.209 2.871 19.887 1.00 13.93 N ATOM 453 CA SER H 45 14.873 4.139 19.575 1.00 13.86 C ATOM 454 C SER H 45 14.071 5.315 20.124 1.00 17.48 C ATOM 455 O SER H 45 12.837 5.259 20.214 1.00 18.28 O ATOM 456 CB SER H 45 15.027 4.292 18.061 1.00 12.69 C ATOM 457 OG SER H 45 13.753 4.413 17.453 1.00 15.70 O ATOM 458 N LEU H 46 14.824 6.339 20.469 1.00 13.23 N ATOM 459 CA LEU H 46 14.297 7.596 21.019 1.00 15.93 C ATOM 460 C LEU H 46 14.104 8.599 19.875 1.00 17.77 C ATOM 461 O LEU H 46 15.061 8.980 19.190 1.00 14.56 O ATOM 462 CB LEU H 46 15.310 8.145 22.029 1.00 19.31 C ATOM 463 CG LEU H 46 14.805 9.359 22.803 1.00 20.58 C ATOM 464 CD1 LEU H 46 13.724 9.007 23.825 1.00 20.22 C ATOM 465 CD2 LEU H 46 15.912 10.061 23.594 1.00 17.62 C ATOM 466 N ILE H 47 12.863 9.030 19.669 1.00 15.26 N ATOM 467 CA ILE H 47 12.555 9.962 18.560 1.00 12.76 C ATOM 468 C ILE H 47 12.101 11.348 19.055 1.00 17.26 C ATOM 469 O ILE H 47 11.781 12.240 18.257 1.00 17.29 O ATOM 470 CB ILE H 47 11.475 9.376 17.640 1.00 18.51 C ATOM 471 CG1 ILE H 47 10.163 9.058 18.359 1.00 21.44 C ATOM 472 CG2 ILE H 47 11.902 8.066 16.976 1.00 14.64 C ATOM 473 CD1 ILE H 47 9.010 8.772 17.390 1.00 15.84 C ATOM 474 N SER H 48 12.094 11.496 20.356 1.00 16.38 N ATOM 475 CA SER H 48 11.724 12.753 21.032 1.00 19.91 C ATOM 476 C SER H 48 11.959 12.537 22.519 1.00 25.00 C ATOM 477 O SER H 48 12.359 11.452 22.952 1.00 22.40 O ATOM 478 CB SER H 48 10.268 13.112 20.718 1.00 25.45 C ATOM 479 OG SER H 48 9.419 12.677 21.764 1.00 23.77 O ATOM 480 N ASP H 49 11.719 13.539 23.324 1.00 18.63 N ATOM 481 CA ASP H 49 11.995 13.387 24.754 1.00 20.69 C ATOM 482 C ASP H 49 10.900 12.571 25.458 1.00 23.99 C ATOM 483 O ASP H 49 10.984 12.284 26.657 1.00 26.17 O ATOM 484 CB ASP H 49 12.166 14.749 25.433 1.00 29.30 C ATOM 485 CG ASP H 49 10.882 15.569 25.538 1.00 32.45 C ATOM 486 OD1 ASP H 49 9.795 15.139 25.003 1.00 30.50 O ATOM 487 OD2 ASP H 49 10.896 16.700 26.163 1.00 49.04 O ATOM 488 N ARG H 50 9.867 12.163 24.732 1.00 23.03 N ATOM 489 CA ARG H 50 8.787 11.392 25.377 1.00 27.92 C ATOM 490 C ARG H 50 8.205 10.287 24.492 1.00 25.29 C ATOM 491 O ARG H 50 7.191 9.662 24.834 1.00 21.09 O ATOM 492 CB ARG H 50 7.640 12.309 25.775 1.00 34.90 C ATOM 493 CG ARG H 50 7.756 12.788 27.222 1.00 48.34 C ATOM 494 CD ARG H 50 6.442 13.322 27.784 1.00 55.78 C ATOM 495 NE ARG H 50 5.544 12.261 28.260 1.00 54.28 N ATOM 496 CZ ARG H 50 4.392 12.498 28.898 1.00 68.89 C ATOM 497 NH1 ARG H 50 3.989 13.752 29.145 1.00 69.48 N ATOM 498 NH2 ARG H 50 3.565 11.539 29.333 1.00 75.17 N ATOM 499 N TRP H 51 8.839 10.035 23.370 1.00 16.98 N ATOM 500 CA TRP H 51 8.359 8.991 22.454 1.00 15.94 C ATOM 501 C TRP H 51 9.497 8.061 22.046 1.00 19.55 C ATOM 502 O TRP H 51 10.587 8.515 21.668 1.00 17.06 O ATOM 503 CB TRP H 51 7.750 9.620 21.203 1.00 19.32 C ATOM 504 CG TRP H 51 6.395 10.276 21.472 1.00 22.19 C ATOM 505 CD1 TRP H 51 6.163 11.574 21.704 1.00 26.17 C ATOM 506 CD2 TRP H 51 5.149 9.595 21.521 1.00 20.81 C ATOM 507 NE1 TRP H 51 4.754 11.722 21.900 1.00 30.38 N ATOM 508 CE2 TRP H 51 4.178 10.551 21.787 1.00 29.45 C ATOM 509 CE3 TRP H 51 4.762 8.259 21.361 1.00 21.90 C ATOM 510 CZ2 TRP H 51 2.816 10.251 21.901 1.00 24.72 C ATOM 511 CZ3 TRP H 51 3.387 7.964 21.479 1.00 23.06 C ATOM 512 CH2 TRP H 51 2.461 8.915 21.736 1.00 22.41 C ATOM 513 N VAL H 52 9.182 6.784 22.146 1.00 14.55 N ATOM 514 CA VAL H 52 10.097 5.695 21.791 1.00 14.15 C ATOM 515 C VAL H 52 9.431 4.811 20.731 1.00 20.62 C ATOM 516 O VAL H 52 8.247 4.458 20.846 1.00 21.34 O ATOM 517 CB VAL H 52 10.427 4.870 23.037 1.00 20.44 C ATOM 518 CG1 VAL H 52 11.226 3.604 22.722 1.00 16.94 C ATOM 519 CG2 VAL H 52 11.261 5.643 24.061 1.00 17.12 C ATOM 520 N LEU H 53 10.229 4.497 19.733 1.00 15.59 N ATOM 521 CA LEU H 53 9.819 3.687 18.575 1.00 14.52 C ATOM 522 C LEU H 53 10.425 2.283 18.690 1.00 16.34 C ATOM 523 O LEU H 53 11.596 2.119 19.052 1.00 14.35 O ATOM 524 CB LEU H 53 10.331 4.381 17.306 1.00 16.23 C ATOM 525 CG LEU H 53 9.919 3.699 16.002 1.00 15.87 C ATOM 526 CD1 LEU H 53 8.413 3.751 15.748 1.00 16.53 C ATOM 527 CD2 LEU H 53 10.567 4.341 14.769 1.00 16.65 C ATOM 528 N THR H 54 9.612 1.290 18.383 1.00 14.11 N ATOM 529 CA THR H 54 10.044 -0.118 18.423 1.00 12.99 C ATOM 530 C THR H 54 9.153 -0.959 17.512 1.00 13.33 C ATOM 531 O THR H 54 8.243 -0.439 16.851 1.00 15.39 O ATOM 532 CB THR H 54 9.964 -0.658 19.857 1.00 14.33 C ATOM 533 OG1 THR H 54 10.663 -1.892 19.951 1.00 15.59 O ATOM 534 CG2 THR H 54 8.531 -0.908 20.328 1.00 17.31 C ATOM 535 N ALA H 55 9.448 -2.242 17.496 1.00 15.14 N ATOM 536 CA ALA H 55 8.690 -3.214 16.701 1.00 16.67 C ATOM 537 C ALA H 55 7.492 -3.687 17.522 1.00 18.62 C ATOM 538 O ALA H 55 7.606 -3.942 18.730 1.00 14.64 O ATOM 539 CB ALA H 55 9.575 -4.408 16.346 1.00 17.07 C ATOM 540 N ALA H 56 6.376 -3.789 16.839 1.00 16.26 N ATOM 541 CA ALA H 56 5.105 -4.190 17.452 1.00 18.66 C ATOM 542 C ALA H 56 5.196 -5.589 18.079 1.00 13.97 C ATOM 543 O ALA H 56 4.628 -5.848 19.148 1.00 17.35 O ATOM 544 CB ALA H 56 3.999 -4.213 16.397 1.00 17.17 C ATOM 545 N HIS H 57 5.912 -6.471 17.405 1.00 12.02 N ATOM 546 CA HIS H 57 6.038 -7.874 17.846 1.00 14.19 C ATOM 547 C HIS H 57 6.844 -7.980 19.150 1.00 21.96 C ATOM 548 O HIS H 57 6.900 -9.042 19.786 1.00 20.38 O ATOM 549 CB HIS H 57 6.664 -8.728 16.734 1.00 15.73 C ATOM 550 CG HIS H 57 8.193 -8.812 16.768 1.00 17.54 C ATOM 551 ND1 HIS H 57 8.981 -8.152 15.830 1.00 17.35 N ATOM 552 CD2 HIS H 57 9.053 -9.467 17.592 1.00 14.44 C ATOM 553 CE1 HIS H 57 10.246 -8.415 16.098 1.00 20.68 C ATOM 554 NE2 HIS H 57 10.307 -9.197 17.145 1.00 21.37 N ATOM 555 N CYS H 58 7.450 -6.876 19.539 1.00 18.75 N ATOM 556 CA CYS H 58 8.222 -6.815 20.790 1.00 15.79 C ATOM 557 C CYS H 58 7.266 -6.680 21.974 1.00 19.73 C ATOM 558 O CYS H 58 7.626 -6.967 23.124 1.00 22.41 O ATOM 559 CB CYS H 58 9.157 -5.604 20.783 1.00 14.71 C ATOM 560 SG CYS H 58 10.672 -5.880 19.812 1.00 18.46 S ATOM 561 N LEU H 59 6.061 -6.247 21.649 1.00 17.77 N ATOM 562 CA LEU H 59 5.013 -6.012 22.649 1.00 18.76 C ATOM 563 C LEU H 59 3.832 -6.969 22.472 1.00 25.56 C ATOM 564 O LEU H 59 3.178 -7.366 23.446 1.00 26.57 O ATOM 565 CB LEU H 59 4.472 -4.587 22.523 1.00 21.63 C ATOM 566 CG LEU H 59 5.539 -3.520 22.768 1.00 23.87 C ATOM 567 CD1 LEU H 59 5.045 -2.102 22.476 1.00 26.14 C ATOM 568 CD2 LEU H 59 6.039 -3.496 24.213 1.00 21.23 C ATOM 569 N LEU H 60 3.572 -7.332 21.231 1.00 22.48 N ATOM 570 CA LEU H 60 2.424 -8.192 20.913 1.00 20.54 C ATOM 571 C LEU H 60 2.768 -9.244 19.854 1.00 18.78 C ATOM 572 O LEU H 60 3.023 -8.916 18.687 1.00 21.82 O ATOM 573 CB LEU H 60 1.280 -7.323 20.383 1.00 25.38 C ATOM 574 CG LEU H 60 0.036 -8.119 19.989 1.00 18.56 C ATOM 575 CD1 LEU H 60 -0.611 -8.842 21.171 1.00 20.58 C ATOM 576 CD2 LEU H 60 -1.065 -7.241 19.388 1.00 23.04 C ATOM 577 N TYR H 60A 2.758 -10.487 20.312 1.00 16.84 N ATOM 578 CA TYR H 60A 2.975 -11.664 19.454 1.00 18.17 C ATOM 579 C TYR H 60A 2.230 -12.934 20.084 1.00 20.13 C ATOM 580 O TYR H 60A 2.821 -13.833 20.630 1.00 20.63 O ATOM 581 CB TYR H 60A 4.446 -11.981 19.269 1.00 16.16 C ATOM 582 CG TYR H 60A 4.644 -12.837 18.023 1.00 14.38 C ATOM 583 CD1 TYR H 60A 4.206 -12.361 16.781 1.00 18.01 C ATOM 584 CD2 TYR H 60A 5.241 -14.094 18.124 1.00 17.18 C ATOM 585 CE1 TYR H 60A 4.362 -13.148 15.638 1.00 20.48 C ATOM 586 CE2 TYR H 60A 5.396 -14.884 16.980 1.00 19.98 C ATOM 587 CZ TYR H 60A 4.955 -14.411 15.738 1.00 19.04 C ATOM 588 OH TYR H 60A 5.103 -15.182 14.628 1.00 19.94 O ATOM 589 N PRO H 60B 0.964 -12.948 19.754 1.00 22.63 N ATOM 590 CA PRO H 60B 0.078 -14.091 20.250 1.00 22.11 C ATOM 591 C PRO H 60B 0.533 -15.388 19.932 1.00 21.24 C ATOM 592 O PRO H 60B 0.362 -16.330 20.793 1.00 25.06 O ATOM 593 CB PRO H 60B -1.273 -13.752 19.563 1.00 21.63 C ATOM 594 CG PRO H 60B -1.242 -12.259 19.512 1.00 22.94 C ATOM 595 CD PRO H 60B 0.163 -12.033 18.954 1.00 18.28 C ATOM 596 N PRO H 60C 1.251 -15.878 18.924 1.00 17.02 N ATOM 597 CA PRO H 60C 1.741 -17.150 18.710 1.00 23.84 C ATOM 598 C PRO H 60C 2.632 -17.591 19.874 1.00 27.97 C ATOM 599 O PRO H 60C 2.846 -18.773 19.949 1.00 29.25 O ATOM 600 CB PRO H 60C 2.586 -17.126 17.418 1.00 23.45 C ATOM 601 CG PRO H 60C 1.824 -16.108 16.646 1.00 19.64 C ATOM 602 CD PRO H 60C 1.353 -15.083 17.611 1.00 23.38 C ATOM 603 N TRP H 60D 3.269 -16.647 20.551 1.00 23.72 N ATOM 604 CA TRP H 60D 4.255 -17.043 21.592 1.00 22.35 C ATOM 605 C TRP H 60D 3.726 -16.600 22.957 1.00 27.65 C ATOM 606 O TRP H 60D 4.456 -16.613 23.960 1.00 27.32 O ATOM 607 CB TRP H 60D 5.591 -16.290 21.286 1.00 21.13 C ATOM 608 CG TRP H 60D 6.384 -16.832 20.098 1.00 20.46 C ATOM 609 CD1 TRP H 60D 6.130 -17.934 19.379 1.00 28.74 C ATOM 610 CD2 TRP H 60D 7.550 -16.221 19.569 1.00 28.57 C ATOM 611 NE1 TRP H 60D 7.150 -18.023 18.375 1.00 26.04 N ATOM 612 CE2 TRP H 60D 7.971 -17.007 18.505 1.00 33.90 C ATOM 613 CE3 TRP H 60D 8.278 -15.073 19.900 1.00 32.69 C ATOM 614 CZ2 TRP H 60D 9.101 -16.706 17.733 1.00 33.59 C ATOM 615 CZ3 TRP H 60D 9.414 -14.779 19.118 1.00 31.79 C ATOM 616 CH2 TRP H 60D 9.805 -15.558 18.085 1.00 21.89 C ATOM 617 N ASP H 60E 2.465 -16.210 22.916 1.00 19.32 N ATOM 618 CA ASP H 60E 1.709 -15.744 24.086 1.00 22.03 C ATOM 619 C ASP H 60E 2.364 -14.509 24.698 1.00 30.21 C ATOM 620 O ASP H 60E 2.514 -14.406 25.925 1.00 28.27 O ATOM 621 CB ASP H 60E 1.635 -16.845 25.136 1.00 26.12 C ATOM 622 CG ASP H 60E 0.629 -17.930 24.764 1.00 30.70 C ATOM 623 OD1 ASP H 60E -0.631 -17.657 24.733 1.00 40.04 O ATOM 624 OD2 ASP H 60E 1.042 -19.116 24.474 1.00 40.96 O ATOM 625 N LYS H 60F 2.734 -13.607 23.816 1.00 20.50 N ATOM 626 CA LYS H 60F 3.339 -12.333 24.202 1.00 21.22 C ATOM 627 C LYS H 60F 2.339 -11.200 23.972 1.00 23.49 C ATOM 628 O LYS H 60F 1.874 -10.978 22.844 1.00 24.80 O ATOM 629 CB LYS H 60F 4.590 -12.050 23.369 1.00 26.26 C ATOM 630 CG LYS H 60F 5.128 -10.632 23.578 1.00 32.38 C ATOM 631 CD LYS H 60F 6.290 -10.289 22.646 1.00 33.51 C ATOM 632 CE LYS H 60F 7.496 -11.211 22.831 1.00 36.54 C ATOM 633 NZ LYS H 60F 8.470 -11.107 21.736 1.00 44.70 N ATOM 634 N ASN H 60G 2.040 -10.529 25.063 1.00 19.46 N ATOM 635 CA ASN H 60G 1.122 -9.383 25.080 1.00 21.17 C ATOM 636 C ASN H 60G 1.370 -8.561 26.339 1.00 33.23 C ATOM 637 O ASN H 60G 0.603 -8.631 27.310 1.00 29.49 O ATOM 638 CB ASN H 60G -0.332 -9.855 25.068 1.00 31.10 C ATOM 639 CG ASN H 60G -1.319 -8.710 24.821 1.00 35.59 C ATOM 640 OD1 ASN H 60G -0.912 -7.549 24.764 1.00 36.14 O ATOM 641 ND2 ASN H 60G -2.604 -8.965 24.666 1.00 44.22 N ATOM 642 N PHE H 60H 2.448 -7.809 26.274 1.00 25.82 N ATOM 643 CA PHE H 60H 2.889 -6.951 27.377 1.00 32.03 C ATOM 644 C PHE H 60H 2.040 -5.684 27.462 1.00 29.99 C ATOM 645 O PHE H 60H 1.641 -5.112 26.437 1.00 34.59 O ATOM 646 CB PHE H 60H 4.337 -6.498 27.153 1.00 23.67 C ATOM 647 CG PHE H 60H 5.364 -7.626 27.282 1.00 23.78 C ATOM 648 CD1 PHE H 60H 5.590 -8.230 28.524 1.00 32.60 C ATOM 649 CD2 PHE H 60H 6.083 -8.048 26.156 1.00 18.66 C ATOM 650 CE1 PHE H 60H 6.535 -9.258 28.641 1.00 24.18 C ATOM 651 CE2 PHE H 60H 7.027 -9.075 26.274 1.00 26.19 C ATOM 652 CZ PHE H 60H 7.253 -9.680 27.516 1.00 29.82 C ATOM 653 N THR H 60I 1.790 -5.294 28.696 1.00 28.24 N ATOM 654 CA THR H 60I 1.075 -4.053 29.009 1.00 21.77 C ATOM 655 C THR H 60I 2.119 -3.048 29.494 1.00 27.72 C ATOM 656 O THR H 60I 3.301 -3.381 29.647 1.00 30.89 O ATOM 657 CB THR H 60I -0.007 -4.308 30.063 1.00 36.14 C ATOM 658 OG1 THR H 60I -0.788 -3.134 30.250 1.00 43.74 O ATOM 659 CG2 THR H 60I 0.563 -4.700 31.425 1.00 38.78 C ATOM 660 N GLU H 61 1.678 -1.840 29.734 1.00 27.67 N ATOM 661 CA GLU H 61 2.575 -0.742 30.131 1.00 33.17 C ATOM 662 C GLU H 61 3.472 -1.095 31.341 1.00 34.10 C ATOM 663 O GLU H 61 4.706 -1.058 31.257 1.00 28.27 O ATOM 664 CB GLU H 61 1.764 0.501 30.488 1.00 23.98 C ATOM 665 CG GLU H 61 1.270 1.259 29.253 1.00 29.56 C ATOM 666 CD GLU H 61 0.118 0.546 28.547 1.00 41.25 C ATOM 667 OE1 GLU H 61 -0.428 -0.488 29.093 1.00 38.69 O ATOM 668 OE2 GLU H 61 -0.310 0.978 27.411 1.00 33.89 O ATOM 669 N ASN H 62 2.848 -1.436 32.458 1.00 25.09 N ATOM 670 CA ASN H 62 3.576 -1.681 33.730 1.00 29.29 C ATOM 671 C ASN H 62 4.437 -2.954 33.732 1.00 27.92 C ATOM 672 O ASN H 62 5.094 -3.283 34.730 1.00 30.16 O ATOM 673 CB ASN H 62 2.612 -1.820 34.900 1.00 46.57 C ATOM 674 CG ASN H 62 1.493 -0.785 34.876 1.00 47.39 C ATOM 675 OD1 ASN H 62 1.759 0.412 34.802 1.00 55.67 O ATOM 676 ND2 ASN H 62 0.238 -1.185 34.933 1.00 69.19 N ATOM 677 N ASP H 63 4.443 -3.680 32.642 1.00 25.33 N ATOM 678 CA ASP H 63 5.273 -4.890 32.557 1.00 24.87 C ATOM 679 C ASP H 63 6.698 -4.518 32.163 1.00 26.52 C ATOM 680 O ASP H 63 7.646 -5.281 32.397 1.00 28.21 O ATOM 681 CB ASP H 63 4.781 -5.831 31.458 1.00 36.05 C ATOM 682 CG ASP H 63 3.472 -6.545 31.777 1.00 48.10 C ATOM 683 OD1 ASP H 63 3.135 -6.767 32.999 1.00 33.71 O ATOM 684 OD2 ASP H 63 2.704 -6.926 30.811 1.00 34.57 O ATOM 685 N LEU H 64 6.800 -3.337 31.575 1.00 26.29 N ATOM 686 CA LEU H 64 8.060 -2.866 30.990 1.00 26.97 C ATOM 687 C LEU H 64 8.596 -1.563 31.578 1.00 23.87 C ATOM 688 O LEU H 64 7.887 -0.851 32.306 1.00 28.89 O ATOM 689 CB LEU H 64 7.866 -2.594 29.499 1.00 35.62 C ATOM 690 CG LEU H 64 6.805 -3.492 28.862 1.00 30.44 C ATOM 691 CD1 LEU H 64 6.009 -2.788 27.761 1.00 47.05 C ATOM 692 CD2 LEU H 64 7.395 -4.745 28.211 1.00 40.47 C ATOM 693 N LEU H 65 9.842 -1.368 31.178 1.00 24.00 N ATOM 694 CA LEU H 65 10.683 -0.208 31.490 1.00 26.92 C ATOM 695 C LEU H 65 11.542 0.095 30.262 1.00 25.40 C ATOM 696 O LEU H 65 11.826 -0.795 29.447 1.00 21.12 O ATOM 697 CB LEU H 65 11.650 -0.529 32.637 1.00 25.16 C ATOM 698 CG LEU H 65 11.010 -0.512 34.025 1.00 41.49 C ATOM 699 CD1 LEU H 65 12.038 -0.677 35.151 1.00 23.49 C ATOM 700 CD2 LEU H 65 10.267 0.787 34.333 1.00 38.92 C ATOM 701 N VAL H 66 11.938 1.338 30.150 1.00 20.78 N ATOM 702 CA VAL H 66 12.798 1.784 29.049 1.00 19.90 C ATOM 703 C VAL H 66 14.097 2.341 29.638 1.00 21.53 C ATOM 704 O VAL H 66 14.077 3.245 30.484 1.00 24.26 O ATOM 705 CB VAL H 66 12.077 2.855 28.226 1.00 20.76 C ATOM 706 CG1 VAL H 66 13.008 3.966 27.740 1.00 43.80 C ATOM 707 CG2 VAL H 66 11.409 2.295 26.966 1.00 30.69 C ATOM 708 N ARG H 67 15.199 1.773 29.182 1.00 19.23 N ATOM 709 CA ARG H 67 16.546 2.175 29.628 1.00 21.49 C ATOM 710 C ARG H 67 17.262 2.871 28.468 1.00 18.20 C ATOM 711 O ARG H 67 17.568 2.248 27.440 1.00 19.71 O ATOM 712 CB ARG H 67 17.315 0.940 30.098 1.00 17.07 C ATOM 713 CG ARG H 67 16.595 0.199 31.227 1.00 19.33 C ATOM 714 CD ARG H 67 17.332 -1.058 31.688 1.00 21.81 C ATOM 715 NE ARG H 67 18.585 -0.761 32.395 1.00 19.90 N ATOM 716 CZ ARG H 67 19.320 -1.681 33.032 1.00 24.09 C ATOM 717 NH1 ARG H 67 18.941 -2.966 33.064 1.00 22.95 N ATOM 718 NH2 ARG H 67 20.465 -1.411 33.674 1.00 23.33 N ATOM 719 N ILE H 68 17.501 4.151 28.685 1.00 16.16 N ATOM 720 CA ILE H 68 18.103 5.041 27.682 1.00 17.66 C ATOM 721 C ILE H 68 19.500 5.522 28.111 1.00 22.03 C ATOM 722 O ILE H 68 19.749 5.784 29.298 1.00 19.03 O ATOM 723 CB ILE H 68 17.189 6.256 27.503 1.00 18.48 C ATOM 724 CG1 ILE H 68 15.707 5.867 27.429 1.00 26.05 C ATOM 725 CG2 ILE H 68 17.480 7.048 26.230 1.00 16.30 C ATOM 726 CD1 ILE H 68 14.764 7.066 27.522 1.00 23.96 C ATOM 727 N GLY H 69 20.360 5.613 27.100 1.00 16.12 N ATOM 728 CA GLY H 69 21.752 6.097 27.236 1.00 19.39 C ATOM 729 C GLY H 69 22.709 4.979 27.684 1.00 19.54 C ATOM 730 O GLY H 69 23.785 5.240 28.238 1.00 17.17 O ATOM 731 N LYS H 70 22.318 3.746 27.423 1.00 16.38 N ATOM 732 CA LYS H 70 23.115 2.571 27.830 1.00 15.04 C ATOM 733 C LYS H 70 24.184 2.213 26.789 1.00 21.24 C ATOM 734 O LYS H 70 24.091 2.602 25.615 1.00 19.90 O ATOM 735 CB LYS H 70 22.213 1.348 27.996 1.00 16.70 C ATOM 736 CG LYS H 70 21.439 1.351 29.315 1.00 19.87 C ATOM 737 CD LYS H 70 20.829 -0.011 29.653 1.00 19.24 C ATOM 738 CE LYS H 70 21.880 -1.066 30.005 1.00 22.28 C ATOM 739 NZ LYS H 70 22.774 -0.646 31.093 1.00 20.39 N ATOM 740 N HIS H 71 25.161 1.476 27.290 1.00 18.24 N ATOM 741 CA HIS H 71 26.286 0.946 26.504 1.00 19.13 C ATOM 742 C HIS H 71 26.487 -0.515 26.903 1.00 25.27 C ATOM 743 O HIS H 71 26.381 -1.426 26.070 1.00 22.17 O ATOM 744 CB HIS H 71 27.549 1.767 26.768 1.00 20.01 C ATOM 745 CG HIS H 71 28.779 1.234 26.030 1.00 20.79 C ATOM 746 ND1 HIS H 71 28.858 1.221 24.640 1.00 18.32 N ATOM 747 CD2 HIS H 71 29.950 0.710 26.480 1.00 26.62 C ATOM 748 CE1 HIS H 71 30.028 0.710 24.298 1.00 22.40 C ATOM 749 NE2 HIS H 71 30.691 0.400 25.384 1.00 20.44 N ATOM 750 N SER H 72 26.770 -0.703 28.183 1.00 20.61 N ATOM 751 CA SER H 72 26.906 -2.047 28.754 1.00 21.13 C ATOM 752 C SER H 72 25.521 -2.678 28.752 1.00 18.59 C ATOM 753 O SER H 72 24.514 -2.002 29.006 1.00 24.93 O ATOM 754 CB SER H 72 27.448 -1.978 30.182 1.00 22.10 C ATOM 755 OG SER H 72 27.299 -3.244 30.815 1.00 26.00 O ATOM 756 N ARG H 73 25.493 -3.953 28.467 1.00 24.72 N ATOM 757 CA ARG H 73 24.234 -4.689 28.346 1.00 18.16 C ATOM 758 C ARG H 73 23.579 -4.994 29.705 1.00 28.91 C ATOM 759 O ARG H 73 22.373 -4.793 29.893 1.00 27.40 O ATOM 760 CB ARG H 73 24.465 -6.028 27.645 1.00 21.13 C ATOM 761 CG ARG H 73 23.185 -6.859 27.517 1.00 27.06 C ATOM 762 CD ARG H 73 23.384 -8.150 26.717 1.00 23.29 C ATOM 763 NE ARG H 73 24.355 -9.064 27.335 1.00 33.99 N ATOM 764 CZ ARG H 73 24.045 -9.959 28.285 1.00 39.38 C ATOM 765 NH1 ARG H 73 22.791 -10.075 28.742 1.00 36.44 N ATOM 766 NH2 ARG H 73 24.932 -10.791 28.847 1.00 36.78 N ATOM 767 N THR H 74 24.369 -5.467 30.658 1.00 25.48 N ATOM 768 CA THR H 74 23.809 -5.949 31.942 1.00 29.32 C ATOM 769 C THR H 74 24.014 -5.016 33.152 1.00 33.13 C ATOM 770 O THR H 74 23.229 -5.026 34.109 1.00 30.62 O ATOM 771 CB THR H 74 24.444 -7.286 32.315 1.00 23.96 C ATOM 772 OG1 THR H 74 25.854 -7.150 32.399 1.00 22.85 O ATOM 773 CG2 THR H 74 24.151 -8.386 31.292 1.00 36.11 C ATOM 774 N ARG H 75 25.051 -4.220 33.135 1.00 33.26 N ATOM 775 CA ARG H 75 25.362 -3.349 34.286 1.00 29.55 C ATOM 776 C ARG H 75 24.412 -2.156 34.376 1.00 31.70 C ATOM 777 O ARG H 75 23.889 -1.672 33.365 1.00 21.66 O ATOM 778 CB ARG H 75 26.773 -2.774 34.140 1.00 34.35 C ATOM 779 N TYR H 76 24.196 -1.707 35.608 1.00 21.27 N ATOM 780 CA TYR H 76 23.433 -0.476 35.841 1.00 23.65 C ATOM 781 C TYR H 76 24.432 0.668 35.733 1.00 33.34 C ATOM 782 O TYR H 76 25.314 0.827 36.587 1.00 27.17 O ATOM 783 CB TYR H 76 22.770 -0.437 37.220 1.00 27.38 C ATOM 784 CG TYR H 76 22.136 0.936 37.474 1.00 26.77 C ATOM 785 CD1 TYR H 76 21.058 1.363 36.687 1.00 28.88 C ATOM 786 CD2 TYR H 76 22.639 1.775 38.477 1.00 27.29 C ATOM 787 CE1 TYR H 76 20.501 2.632 36.885 1.00 29.51 C ATOM 788 CE2 TYR H 76 22.087 3.048 38.670 1.00 28.44 C ATOM 789 CZ TYR H 76 21.021 3.478 37.871 1.00 25.87 C ATOM 790 OH TYR H 76 20.494 4.719 38.048 1.00 27.73 O ATOM 791 N GLU H 77 24.281 1.427 34.672 1.00 22.41 N ATOM 792 CA GLU H 77 25.215 2.513 34.348 1.00 24.47 C ATOM 793 C GLU H 77 24.809 3.813 35.046 1.00 20.48 C ATOM 794 O GLU H 77 24.203 4.708 34.435 1.00 22.59 O ATOM 795 CB GLU H 77 25.297 2.633 32.833 1.00 19.96 C ATOM 796 CG GLU H 77 25.888 1.355 32.231 1.00 16.25 C ATOM 797 CD GLU H 77 25.892 1.319 30.708 1.00 26.02 C ATOM 798 OE1 GLU H 77 24.786 1.182 30.064 1.00 21.17 O ATOM 799 OE2 GLU H 77 27.008 1.417 30.070 1.00 19.80 O ATOM 800 N ARG H 77A 25.201 3.819 36.304 1.00 23.93 N ATOM 801 CA ARG H 77A 24.983 4.908 37.260 1.00 18.90 C ATOM 802 C ARG H 77A 25.495 6.238 36.692 1.00 14.22 C ATOM 803 O ARG H 77A 26.611 6.320 36.162 1.00 22.22 O ATOM 804 CB ARG H 77A 25.761 4.578 38.539 1.00 21.00 C ATOM 805 CG ARG H 77A 25.396 5.457 39.730 1.00 25.55 C ATOM 806 CD ARG H 77A 25.796 4.833 41.073 1.00 27.25 C ATOM 807 NE ARG H 77A 27.113 4.175 41.042 1.00 24.76 N ATOM 808 CZ ARG H 77A 28.241 4.735 41.505 1.00 27.49 C ATOM 809 NH1 ARG H 77A 28.231 5.966 42.035 1.00 18.67 N ATOM 810 NH2 ARG H 77A 29.440 4.138 41.482 1.00 24.40 N ATOM 811 N ASN H 78 24.651 7.247 36.826 1.00 17.28 N ATOM 812 CA ASN H 78 24.956 8.622 36.387 1.00 19.61 C ATOM 813 C ASN H 78 24.982 8.759 34.861 1.00 24.13 C ATOM 814 O ASN H 78 25.348 9.810 34.318 1.00 21.92 O ATOM 815 CB ASN H 78 26.355 9.048 36.844 1.00 23.21 C ATOM 816 CG ASN H 78 26.491 9.221 38.356 1.00 29.28 C ATOM 817 OD1 ASN H 78 27.509 9.734 38.823 1.00 28.91 O ATOM 818 ND2 ASN H 78 25.527 8.818 39.157 1.00 21.00 N ATOM 819 N ILE H 79 24.604 7.709 34.163 1.00 21.84 N ATOM 820 CA ILE H 79 24.632 7.747 32.695 1.00 20.19 C ATOM 821 C ILE H 79 23.282 7.358 32.099 1.00 19.07 C ATOM 822 O ILE H 79 22.626 8.158 31.420 1.00 18.66 O ATOM 823 CB ILE H 79 25.748 6.849 32.173 1.00 15.10 C ATOM 824 CG1 ILE H 79 27.137 7.402 32.500 1.00 17.54 C ATOM 825 CG2 ILE H 79 25.710 6.670 30.654 1.00 14.52 C ATOM 826 CD1 ILE H 79 28.257 6.386 32.285 1.00 22.36 C ATOM 827 N GLU H 80 22.867 6.140 32.347 1.00 18.49 N ATOM 828 CA GLU H 80 21.588 5.663 31.813 1.00 17.13 C ATOM 829 C GLU H 80 20.434 6.207 32.662 1.00 22.81 C ATOM 830 O GLU H 80 20.577 6.422 33.875 1.00 25.33 O ATOM 831 CB GLU H 80 21.565 4.133 31.779 1.00 19.98 C ATOM 832 CG GLU H 80 21.305 3.483 33.138 1.00 23.44 C ATOM 833 CD GLU H 80 20.982 1.990 33.016 1.00 20.48 C ATOM 834 OE1 GLU H 80 19.781 1.613 32.733 1.00 22.31 O ATOM 835 OE2 GLU H 80 21.910 1.110 33.188 1.00 19.71 O ATOM 836 N LYS H 81 19.332 6.423 31.971 1.00 19.56 N ATOM 837 CA LYS H 81 18.080 6.913 32.563 1.00 19.75 C ATOM 838 C LYS H 81 17.000 5.863 32.347 1.00 28.80 C ATOM 839 O LYS H 81 16.897 5.259 31.275 1.00 22.49 O ATOM 840 CB LYS H 81 17.647 8.215 31.879 1.00 22.31 C ATOM 841 CG LYS H 81 18.627 9.365 32.100 1.00 32.87 C ATOM 842 CD LYS H 81 18.880 9.656 33.580 1.00 36.80 C ATOM 843 CE LYS H 81 19.985 10.689 33.804 1.00 33.57 C ATOM 844 NZ LYS H 81 20.686 10.512 35.083 1.00 40.98 N ATOM 845 N ILE H 82 16.207 5.644 33.363 1.00 22.98 N ATOM 846 CA ILE H 82 15.133 4.654 33.283 1.00 23.40 C ATOM 847 C ILE H 82 13.789 5.384 33.265 1.00 28.19 C ATOM 848 O ILE H 82 13.531 6.275 34.086 1.00 29.67 O ATOM 849 CB ILE H 82 15.255 3.703 34.476 1.00 35.86 C ATOM 850 CG1 ILE H 82 16.657 3.105 34.616 1.00 23.78 C ATOM 851 CG2 ILE H 82 14.298 2.513 34.393 1.00 32.15 C ATOM 852 CD1 ILE H 82 16.649 1.673 35.153 1.00 34.49 C ATOM 853 N SER H 83 12.964 4.992 32.312 1.00 27.63 N ATOM 854 CA SER H 83 11.636 5.591 32.126 1.00 23.22 C ATOM 855 C SER H 83 10.553 4.519 32.114 1.00 27.46 C ATOM 856 O SER H 83 10.754 3.412 31.596 1.00 24.26 O ATOM 857 CB SER H 83 11.567 6.332 30.788 1.00 36.07 C ATOM 858 OG SER H 83 12.434 7.453 30.806 1.00 39.15 O ATOM 859 N MET H 84 9.436 4.896 32.697 1.00 30.92 N ATOM 860 CA MET H 84 8.243 4.053 32.745 1.00 30.12 C ATOM 861 C MET H 84 7.358 4.438 31.570 1.00 23.26 C ATOM 862 O MET H 84 7.464 5.547 31.031 1.00 31.71 O ATOM 863 CB MET H 84 7.496 4.279 34.055 1.00 28.67 C ATOM 864 CG MET H 84 8.069 3.472 35.217 1.00 33.70 C ATOM 865 SD MET H 84 7.381 3.945 36.786 1.00 58.60 S ATOM 866 CE MET H 84 8.310 3.200 38.106 1.00 56.69 C ATOM 867 N LEU H 85 6.499 3.526 31.186 1.00 23.77 N ATOM 868 CA LEU H 85 5.607 3.754 30.045 1.00 25.20 C ATOM 869 C LEU H 85 4.249 4.265 30.487 1.00 26.57 C ATOM 870 O LEU H 85 3.658 3.759 31.452 1.00 31.19 O ATOM 871 CB LEU H 85 5.344 2.461 29.284 1.00 23.08 C ATOM 872 CG LEU H 85 6.602 1.644 29.019 1.00 34.79 C ATOM 873 CD1 LEU H 85 6.375 0.531 27.993 1.00 28.07 C ATOM 874 CD2 LEU H 85 7.761 2.480 28.478 1.00 45.25 C ATOM 875 N GLU H 86 3.797 5.251 29.748 1.00 27.13 N ATOM 876 CA GLU H 86 2.488 5.848 29.968 1.00 26.90 C ATOM 877 C GLU H 86 1.443 5.119 29.129 1.00 32.96 C ATOM 878 O GLU H 86 0.336 4.825 29.600 1.00 28.03 O ATOM 879 CB GLU H 86 2.487 7.322 29.572 1.00 28.44 C ATOM 880 CG GLU H 86 1.101 7.959 29.696 1.00 32.53 C ATOM 881 CD GLU H 86 1.134 9.486 29.665 1.00 49.70 C ATOM 882 OE1 GLU H 86 1.823 10.135 30.541 1.00 69.78 O ATOM 883 OE2 GLU H 86 0.470 10.126 28.763 1.00 53.90 O ATOM 884 N LYS H 87 1.822 4.835 27.895 1.00 26.54 N ATOM 885 CA LYS H 87 0.924 4.161 26.953 1.00 26.02 C ATOM 886 C LYS H 87 1.679 3.582 25.756 1.00 25.32 C ATOM 887 O LYS H 87 2.657 4.169 25.270 1.00 24.03 O ATOM 888 CB LYS H 87 -0.100 5.158 26.413 1.00 22.30 C ATOM 889 CG LYS H 87 -1.282 4.484 25.719 1.00 31.29 C ATOM 890 CD LYS H 87 -2.205 3.757 26.695 1.00 50.63 C ATOM 891 CE LYS H 87 -3.340 3.007 25.998 1.00 70.48 C ATOM 892 NZ LYS H 87 -3.627 1.703 26.611 1.00 75.97 N ATOM 893 N ILE H 88 1.173 2.440 25.333 1.00 24.26 N ATOM 894 CA ILE H 88 1.676 1.713 24.164 1.00 21.77 C ATOM 895 C ILE H 88 0.665 1.862 23.025 1.00 27.27 C ATOM 896 O ILE H 88 -0.553 1.790 23.241 1.00 27.65 O ATOM 897 CB ILE H 88 1.822 0.217 24.480 1.00 26.08 C ATOM 898 CG1 ILE H 88 3.020 -0.110 25.376 1.00 31.95 C ATOM 899 CG2 ILE H 88 2.007 -0.645 23.227 1.00 21.79 C ATOM 900 CD1 ILE H 88 2.931 -1.505 26.005 1.00 25.74 C ATOM 901 N TYR H 89 1.192 2.083 21.840 1.00 20.88 N ATOM 902 CA TYR H 89 0.376 2.200 20.620 1.00 21.43 C ATOM 903 C TYR H 89 0.958 1.307 19.541 1.00 24.40 C ATOM 904 O TYR H 89 2.080 1.523 19.069 1.00 23.08 O ATOM 905 CB TYR H 89 0.373 3.628 20.073 1.00 23.98 C ATOM 906 CG TYR H 89 -0.141 4.668 21.062 1.00 28.10 C ATOM 907 CD1 TYR H 89 0.756 5.294 21.926 1.00 29.25 C ATOM 908 CD2 TYR H 89 -1.503 4.999 21.096 1.00 31.91 C ATOM 909 CE1 TYR H 89 0.300 6.252 22.831 1.00 31.80 C ATOM 910 CE2 TYR H 89 -1.960 5.960 22.004 1.00 33.64 C ATOM 911 CZ TYR H 89 -1.058 6.586 22.871 1.00 37.96 C ATOM 912 OH TYR H 89 -1.499 7.519 23.756 1.00 39.72 O ATOM 913 N ILE H 90 0.183 0.324 19.181 1.00 19.20 N ATOM 914 CA ILE H 90 0.570 -0.637 18.156 1.00 18.19 C ATOM 915 C ILE H 90 -0.175 -0.304 16.874 1.00 21.22 C ATOM 916 O ILE H 90 -1.364 0.037 16.894 1.00 19.29 O ATOM 917 CB ILE H 90 0.203 -2.035 18.643 1.00 21.04 C ATOM 918 CG1 ILE H 90 0.944 -2.415 19.926 1.00 28.00 C ATOM 919 CG2 ILE H 90 0.516 -3.128 17.624 1.00 18.68 C ATOM 920 CD1 ILE H 90 0.457 -3.727 20.537 1.00 32.65 C ATOM 921 N HIS H 91 0.521 -0.382 15.756 1.00 14.75 N ATOM 922 CA HIS H 91 -0.136 -0.112 14.478 1.00 17.31 C ATOM 923 C HIS H 91 -1.431 -0.954 14.444 1.00 18.78 C ATOM 924 O HIS H 91 -1.440 -2.190 14.581 1.00 18.32 O ATOM 925 CB HIS H 91 0.757 -0.469 13.303 1.00 14.90 C ATOM 926 CG HIS H 91 0.274 0.213 12.031 1.00 19.16 C ATOM 927 ND1 HIS H 91 -0.832 -0.252 11.330 1.00 19.79 N ATOM 928 CD2 HIS H 91 0.727 1.302 11.360 1.00 19.83 C ATOM 929 CE1 HIS H 91 -1.017 0.538 10.291 1.00 21.22 C ATOM 930 NE2 HIS H 91 -0.097 1.470 10.294 1.00 19.80 N ATOM 931 N PRO H 92 -2.562 -0.332 14.042 1.00 20.39 N ATOM 932 CA PRO H 92 -3.845 -1.032 13.944 1.00 22.51 C ATOM 933 C PRO H 92 -3.874 -2.133 12.929 1.00 23.73 C ATOM 934 O PRO H 92 -4.746 -3.042 12.962 1.00 22.00 O ATOM 935 CB PRO H 92 -4.881 0.091 13.598 1.00 23.86 C ATOM 936 CG PRO H 92 -4.068 1.240 13.053 1.00 31.16 C ATOM 937 CD PRO H 92 -2.645 1.099 13.669 1.00 21.88 C ATOM 938 N ARG H 93 -3.059 -1.960 11.874 1.00 20.33 N ATOM 939 CA ARG H 93 -3.025 -3.084 10.896 1.00 19.45 C ATOM 940 C ARG H 93 -1.715 -3.903 10.958 1.00 22.84 C ATOM 941 O ARG H 93 -1.251 -4.450 9.948 1.00 20.28 O ATOM 942 CB ARG H 93 -3.263 -2.493 9.524 1.00 23.03 C ATOM 943 CG ARG H 93 -4.493 -1.594 9.428 1.00 23.63 C ATOM 944 CD ARG H 93 -4.808 -1.198 7.981 1.00 26.83 C ATOM 945 NE ARG H 93 -4.926 -2.360 7.087 1.00 28.55 N ATOM 946 CZ ARG H 93 -4.850 -2.297 5.749 1.00 34.56 C ATOM 947 NH1 ARG H 93 -4.646 -1.130 5.123 1.00 24.59 N ATOM 948 NH2 ARG H 93 -4.971 -3.360 4.941 1.00 30.53 N ATOM 949 N TYR H 94 -1.136 -3.991 12.150 1.00 19.64 N ATOM 950 CA TYR H 94 0.065 -4.829 12.381 1.00 17.84 C ATOM 951 C TYR H 94 -0.381 -6.288 12.182 1.00 17.75 C ATOM 952 O TYR H 94 -1.310 -6.769 12.844 1.00 17.59 O ATOM 953 CB TYR H 94 0.586 -4.575 13.808 1.00 17.66 C ATOM 954 CG TYR H 94 1.402 -5.722 14.418 1.00 16.18 C ATOM 955 CD1 TYR H 94 2.497 -6.261 13.727 1.00 14.83 C ATOM 956 CD2 TYR H 94 1.059 -6.224 15.681 1.00 16.57 C ATOM 957 CE1 TYR H 94 3.247 -7.299 14.303 1.00 17.26 C ATOM 958 CE2 TYR H 94 1.809 -7.259 16.255 1.00 18.50 C ATOM 959 CZ TYR H 94 2.904 -7.796 15.567 1.00 18.14 C ATOM 960 OH TYR H 94 3.634 -8.799 16.127 1.00 18.49 O ATOM 961 N ASN H 95 0.275 -6.968 11.258 1.00 16.03 N ATOM 962 CA ASN H 95 -0.090 -8.353 10.891 1.00 19.57 C ATOM 963 C ASN H 95 0.805 -9.388 11.582 1.00 20.18 C ATOM 964 O ASN H 95 1.831 -9.815 11.034 1.00 20.24 O ATOM 965 CB ASN H 95 0.058 -8.540 9.379 1.00 18.19 C ATOM 966 CG ASN H 95 -0.611 -9.814 8.862 1.00 23.68 C ATOM 967 OD1 ASN H 95 -0.855 -10.738 9.634 1.00 21.74 O ATOM 968 ND2 ASN H 95 -0.927 -9.919 7.584 1.00 23.63 N ATOM 969 N TRP H 96 0.387 -9.791 12.773 1.00 16.99 N ATOM 970 CA TRP H 96 1.132 -10.792 13.556 1.00 16.61 C ATOM 971 C TRP H 96 0.717 -12.210 13.156 1.00 19.48 C ATOM 972 O TRP H 96 1.404 -13.190 13.461 1.00 20.67 O ATOM 973 CB TRP H 96 0.893 -10.625 15.068 1.00 18.76 C ATOM 974 CG TRP H 96 -0.586 -10.558 15.488 1.00 18.25 C ATOM 975 CD1 TRP H 96 -1.312 -9.451 15.691 1.00 17.40 C ATOM 976 CD2 TRP H 96 -1.431 -11.679 15.744 1.00 18.74 C ATOM 977 NE1 TRP H 96 -2.625 -9.867 16.079 1.00 19.48 N ATOM 978 CE2 TRP H 96 -2.675 -11.175 16.104 1.00 20.37 C ATOM 979 CE3 TRP H 96 -1.249 -13.067 15.698 1.00 21.57 C ATOM 980 CZ2 TRP H 96 -3.769 -11.987 16.429 1.00 20.59 C ATOM 981 CZ3 TRP H 96 -2.358 -13.878 16.025 1.00 21.48 C ATOM 982 CH2 TRP H 96 -3.558 -13.361 16.373 1.00 20.35 C ATOM 983 N ARG H 97 -0.399 -12.298 12.467 1.00 15.95 N ATOM 984 CA ARG H 97 -0.950 -13.594 12.050 1.00 22.28 C ATOM 985 C ARG H 97 -0.132 -14.240 10.930 1.00 20.35 C ATOM 986 O ARG H 97 0.030 -15.469 10.882 1.00 20.48 O ATOM 987 CB ARG H 97 -2.366 -13.434 11.503 1.00 17.62 C ATOM 988 CG ARG H 97 -3.365 -12.939 12.545 1.00 26.89 C ATOM 989 CD ARG H 97 -4.817 -13.086 12.090 1.00 28.00 C ATOM 990 NE ARG H 97 -5.752 -13.224 13.212 1.00 31.08 N ATOM 991 CZ ARG H 97 -6.093 -14.395 13.763 1.00 24.87 C ATOM 992 NH1 ARG H 97 -5.587 -15.548 13.303 1.00 26.56 N ATOM 993 NH2 ARG H 97 -6.942 -14.518 14.792 1.00 37.84 N ATOM 994 N GLU H 97A 0.380 -13.406 10.040 1.00 18.26 N ATOM 995 CA GLU H 97A 1.071 -13.918 8.851 1.00 17.06 C ATOM 996 C GLU H 97A 2.573 -13.575 8.751 1.00 22.62 C ATOM 997 O GLU H 97A 3.440 -14.414 9.032 1.00 23.83 O ATOM 998 CB GLU H 97A 0.435 -13.374 7.573 1.00 19.26 C ATOM 999 CG GLU H 97A 0.913 -14.112 6.319 1.00 27.04 C ATOM 1000 CD GLU H 97A 0.596 -13.366 5.023 1.00 43.24 C ATOM 1001 OE1 GLU H 97A -0.332 -12.471 5.004 1.00 30.90 O ATOM 1002 OE2 GLU H 97A 1.256 -13.634 3.947 1.00 33.10 O ATOM 1003 N ASN H 98 2.879 -12.344 8.335 1.00 17.16 N ATOM 1004 CA ASN H 98 4.281 -11.972 8.015 1.00 18.96 C ATOM 1005 C ASN H 98 4.838 -10.721 8.727 1.00 16.14 C ATOM 1006 O ASN H 98 5.818 -10.112 8.268 1.00 16.36 O ATOM 1007 CB ASN H 98 4.390 -11.656 6.531 1.00 13.50 C ATOM 1008 CG ASN H 98 3.367 -10.608 6.087 1.00 14.96 C ATOM 1009 OD1 ASN H 98 2.634 -10.073 6.920 1.00 18.00 O ATOM 1010 ND2 ASN H 98 3.269 -10.277 4.815 1.00 17.48 N ATOM 1011 N LEU H 99 4.243 -10.331 9.827 1.00 16.45 N ATOM 1012 CA LEU H 99 4.731 -9.172 10.610 1.00 16.10 C ATOM 1013 C LEU H 99 4.669 -7.855 9.810 1.00 20.20 C ATOM 1014 O LEU H 99 5.466 -6.930 10.032 1.00 16.38 O ATOM 1015 CB LEU H 99 6.203 -9.368 11.001 1.00 15.84 C ATOM 1016 CG LEU H 99 6.415 -10.481 12.030 1.00 29.57 C ATOM 1017 CD1 LEU H 99 7.820 -10.472 12.640 1.00 21.97 C ATOM 1018 CD2 LEU H 99 5.451 -10.395 13.213 1.00 23.44 C ATOM 1019 N ASP H 100 3.727 -7.781 8.889 1.00 15.92 N ATOM 1020 CA ASP H 100 3.526 -6.564 8.080 1.00 15.31 C ATOM 1021 C ASP H 100 3.159 -5.409 9.021 1.00 18.38 C ATOM 1022 O ASP H 100 2.300 -5.554 9.902 1.00 15.37 O ATOM 1023 CB ASP H 100 2.399 -6.787 7.066 1.00 14.28 C ATOM 1024 CG ASP H 100 2.355 -5.724 5.962 1.00 23.59 C ATOM 1025 OD1 ASP H 100 3.399 -5.010 5.709 1.00 19.52 O ATOM 1026 OD2 ASP H 100 1.273 -5.544 5.281 1.00 21.00 O ATOM 1027 N ARG H 101 3.827 -4.289 8.816 1.00 15.44 N ATOM 1028 CA ARG H 101 3.618 -3.076 9.630 1.00 13.35 C ATOM 1029 C ARG H 101 4.008 -3.344 11.087 1.00 15.03 C ATOM 1030 O ARG H 101 3.245 -3.044 12.018 1.00 16.67 O ATOM 1031 CB ARG H 101 2.148 -2.659 9.593 1.00 15.31 C ATOM 1032 CG ARG H 101 1.606 -2.533 8.169 1.00 22.42 C ATOM 1033 CD ARG H 101 0.217 -1.898 8.109 1.00 21.07 C ATOM 1034 NE ARG H 101 -0.431 -2.073 6.802 1.00 24.73 N ATOM 1035 CZ ARG H 101 -0.999 -3.216 6.396 1.00 23.42 C ATOM 1036 NH1 ARG H 101 -1.011 -4.299 7.186 1.00 18.34 N ATOM 1037 NH2 ARG H 101 -1.586 -3.378 5.203 1.00 26.79 N ATOM 1038 N ASP H 102 5.193 -3.906 11.233 1.00 16.19 N ATOM 1039 CA ASP H 102 5.769 -4.242 12.544 1.00 18.04 C ATOM 1040 C ASP H 102 6.361 -2.984 13.179 1.00 18.31 C ATOM 1041 O ASP H 102 7.579 -2.759 13.138 1.00 12.67 O ATOM 1042 CB ASP H 102 6.875 -5.283 12.366 1.00 13.01 C ATOM 1043 CG ASP H 102 7.273 -5.970 13.672 1.00 14.00 C ATOM 1044 OD1 ASP H 102 6.614 -5.729 14.754 1.00 13.43 O ATOM 1045 OD2 ASP H 102 8.266 -6.793 13.690 1.00 16.16 O ATOM 1046 N ILE H 103 5.475 -2.194 13.755 1.00 12.46 N ATOM 1047 CA ILE H 103 5.849 -0.921 14.384 1.00 12.57 C ATOM 1048 C ILE H 103 4.885 -0.583 15.520 1.00 15.53 C ATOM 1049 O ILE H 103 3.702 -0.954 15.487 1.00 18.90 O ATOM 1050 CB ILE H 103 5.795 0.189 13.334 1.00 14.84 C ATOM 1051 CG1 ILE H 103 6.465 1.486 13.791 1.00 16.28 C ATOM 1052 CG2 ILE H 103 4.367 0.577 12.947 1.00 16.04 C ATOM 1053 CD1 ILE H 103 6.822 2.414 12.628 1.00 18.43 C ATOM 1054 N ALA H 104 5.435 0.120 16.491 1.00 11.83 N ATOM 1055 CA ALA H 104 4.694 0.560 17.678 1.00 11.85 C ATOM 1056 C ALA H 104 5.435 1.710 18.359 1.00 19.36 C ATOM 1057 O ALA H 104 6.669 1.814 18.276 1.00 16.56 O ATOM 1058 CB ALA H 104 4.558 -0.596 18.670 1.00 17.60 C ATOM 1059 N LEU H 105 4.644 2.537 19.009 1.00 16.23 N ATOM 1060 CA LEU H 105 5.136 3.702 19.748 1.00 16.52 C ATOM 1061 C LEU H 105 4.820 3.535 21.231 1.00 23.78 C ATOM 1062 O LEU H 105 3.808 2.926 21.605 1.00 20.87 O ATOM 1063 CB LEU H 105 4.449 4.975 19.248 1.00 16.00 C ATOM 1064 CG LEU H 105 4.985 5.464 17.901 1.00 18.56 C ATOM 1065 CD1 LEU H 105 4.047 6.459 17.212 1.00 23.22 C ATOM 1066 CD2 LEU H 105 6.333 6.179 18.017 1.00 19.41 C ATOM 1067 N MET H 106 5.703 4.081 22.031 1.00 19.46 N ATOM 1068 CA MET H 106 5.569 4.061 23.488 1.00 21.49 C ATOM 1069 C MET H 106 5.782 5.475 24.029 1.00 25.54 C ATOM 1070 O MET H 106 6.849 6.077 23.844 1.00 23.53 O ATOM 1071 CB MET H 106 6.622 3.129 24.102 1.00 22.52 C ATOM 1072 CG MET H 106 6.347 1.649 23.827 1.00 26.24 C ATOM 1073 SD MET H 106 7.701 0.591 24.295 1.00 27.26 S ATOM 1074 CE MET H 106 9.168 1.048 23.396 1.00 32.39 C ATOM 1075 N LYS H 107 4.751 5.984 24.675 1.00 23.75 N ATOM 1076 CA LYS H 107 4.798 7.318 25.291 1.00 22.88 C ATOM 1077 C LYS H 107 5.322 7.180 26.720 1.00 25.41 C ATOM 1078 O LYS H 107 4.818 6.368 27.507 1.00 25.19 O ATOM 1079 CB LYS H 107 3.404 7.948 25.313 1.00 23.36 C ATOM 1080 CG LYS H 107 3.407 9.367 25.888 1.00 28.00 C ATOM 1081 CD LYS H 107 2.099 10.120 25.641 1.00 33.88 C ATOM 1082 CE LYS H 107 2.281 11.639 25.596 1.00 40.72 C ATOM 1083 NZ LYS H 107 2.170 12.271 26.919 1.00 56.40 N ATOM 1084 N LEU H 108 6.330 7.977 27.016 1.00 25.82 N ATOM 1085 CA LEU H 108 6.994 7.967 28.332 1.00 25.64 C ATOM 1086 C LEU H 108 6.178 8.748 29.358 1.00 18.80 C ATOM 1087 O LEU H 108 5.528 9.751 29.032 1.00 24.84 O ATOM 1088 CB LEU H 108 8.374 8.608 28.225 1.00 31.67 C ATOM 1089 CG LEU H 108 9.281 7.893 27.226 1.00 23.69 C ATOM 1090 CD1 LEU H 108 10.747 8.303 27.354 1.00 24.24 C ATOM 1091 CD2 LEU H 108 9.258 6.371 27.383 1.00 22.46 C ATOM 1092 N LYS H 109 6.242 8.267 30.587 1.00 27.01 N ATOM 1093 CA LYS H 109 5.518 8.890 31.697 1.00 30.39 C ATOM 1094 C LYS H 109 5.979 10.347 31.849 1.00 34.41 C ATOM 1095 O LYS H 109 5.167 11.259 32.023 1.00 33.09 O ATOM 1096 CB LYS H 109 5.713 8.091 32.985 1.00 33.79 C ATOM 1097 CG LYS H 109 4.384 7.531 33.510 1.00 46.06 C ATOM 1098 CD LYS H 109 4.553 6.425 34.550 1.00 36.66 C ATOM 1099 CE LYS H 109 3.316 5.531 34.683 1.00 45.43 C ATOM 1100 NZ LYS H 109 3.335 4.697 35.893 1.00 45.67 N ATOM 1101 N LYS H 110 7.283 10.559 31.778 1.00 33.24 N ATOM 1102 CA LYS H 110 7.855 11.924 31.828 1.00 34.56 C ATOM 1103 C LYS H 110 8.997 12.047 30.801 1.00 31.90 C ATOM 1104 O LYS H 110 9.640 11.038 30.576 1.00 32.23 O ATOM 1105 CB LYS H 110 8.456 12.261 33.206 1.00 27.57 C ATOM 1106 CG LYS H 110 8.060 11.306 34.334 1.00 47.01 C ATOM 1107 CD LYS H 110 8.784 11.618 35.654 1.00 56.12 C ATOM 1108 CE LYS H 110 8.265 10.796 36.838 1.00 63.94 C ATOM 1109 NZ LYS H 110 9.179 10.801 37.992 1.00 70.02 N ATOM 1110 N PRO H 111 9.240 13.223 30.302 1.00 35.55 N ATOM 1111 CA PRO H 111 10.350 13.439 29.384 1.00 32.69 C ATOM 1112 C PRO H 111 11.670 13.053 29.967 1.00 33.38 C ATOM 1113 O PRO H 111 11.986 12.979 31.177 1.00 27.91 O ATOM 1114 CB PRO H 111 10.276 14.960 29.110 1.00 35.22 C ATOM 1115 CG PRO H 111 9.670 15.533 30.353 1.00 41.06 C ATOM 1116 CD PRO H 111 8.556 14.507 30.649 1.00 35.59 C ATOM 1117 N VAL H 112 12.525 12.461 29.081 1.00 26.50 N ATOM 1118 CA VAL H 112 13.844 12.055 29.535 1.00 25.90 C ATOM 1119 C VAL H 112 14.761 13.230 29.197 1.00 23.11 C ATOM 1120 O VAL H 112 14.564 13.928 28.194 1.00 24.67 O ATOM 1121 CB VAL H 112 14.299 10.785 28.777 1.00 34.65 C ATOM 1122 CG1 VAL H 112 14.501 11.024 27.279 1.00 23.03 C ATOM 1123 CG2 VAL H 112 15.627 10.225 29.290 1.00 30.08 C ATOM 1124 N ALA H 113 15.743 13.472 30.023 1.00 24.96 N ATOM 1125 CA ALA H 113 16.667 14.586 29.779 1.00 24.77 C ATOM 1126 C ALA H 113 17.767 14.145 28.817 1.00 16.66 C ATOM 1127 O ALA H 113 18.389 13.091 28.995 1.00 23.65 O ATOM 1128 CB ALA H 113 17.303 15.041 31.091 1.00 29.11 C ATOM 1129 N PHE H 114 17.991 14.953 27.799 1.00 20.09 N ATOM 1130 CA PHE H 114 19.052 14.669 26.827 1.00 21.65 C ATOM 1131 C PHE H 114 20.402 14.935 27.485 1.00 26.63 C ATOM 1132 O PHE H 114 20.517 15.778 28.387 1.00 24.67 O ATOM 1133 CB PHE H 114 18.927 15.562 25.593 1.00 19.19 C ATOM 1134 CG PHE H 114 17.638 15.340 24.801 1.00 21.81 C ATOM 1135 CD1 PHE H 114 16.816 14.241 25.081 1.00 19.57 C ATOM 1136 CD2 PHE H 114 17.282 16.246 23.796 1.00 25.76 C ATOM 1137 CE1 PHE H 114 15.628 14.056 24.360 1.00 16.84 C ATOM 1138 CE2 PHE H 114 16.094 16.064 23.079 1.00 22.11 C ATOM 1139 CZ PHE H 114 15.266 14.970 23.361 1.00 17.74 C ATOM 1140 N SER H 115 21.378 14.201 27.013 1.00 18.59 N ATOM 1141 CA SER H 115 22.756 14.298 27.495 1.00 16.59 C ATOM 1142 C SER H 115 23.694 13.880 26.375 1.00 18.83 C ATOM 1143 O SER H 115 23.284 13.756 25.214 1.00 17.71 O ATOM 1144 CB SER H 115 22.953 13.371 28.696 1.00 18.87 C ATOM 1145 OG SER H 115 23.015 12.021 28.258 1.00 18.50 O ATOM 1146 N ASP H 116 24.931 13.667 26.746 1.00 18.50 N ATOM 1147 CA ASP H 116 25.962 13.246 25.798 1.00 18.04 C ATOM 1148 C ASP H 116 25.685 11.825 25.285 1.00 14.74 C ATOM 1149 O ASP H 116 26.183 11.420 24.226 1.00 15.47 O ATOM 1150 CB ASP H 116 27.329 13.202 26.485 1.00 21.72 C ATOM 1151 CG ASP H 116 28.052 14.551 26.504 1.00 34.32 C ATOM 1152 OD1 ASP H 116 27.541 15.566 25.898 1.00 18.33 O ATOM 1153 OD2 ASP H 116 29.176 14.670 27.128 1.00 21.64 O ATOM 1154 N TYR H 117 24.886 11.099 26.052 1.00 14.80 N ATOM 1155 CA TYR H 117 24.597 9.679 25.769 1.00 14.81 C ATOM 1156 C TYR H 117 23.126 9.428 25.404 1.00 19.13 C ATOM 1157 O TYR H 117 22.738 8.298 25.070 1.00 18.71 O ATOM 1158 CB TYR H 117 24.936 8.852 27.005 1.00 18.01 C ATOM 1159 CG TYR H 117 26.241 9.314 27.651 1.00 14.41 C ATOM 1160 CD1 TYR H 117 27.462 8.887 27.123 1.00 20.54 C ATOM 1161 CD2 TYR H 117 26.216 10.168 28.761 1.00 17.94 C ATOM 1162 CE1 TYR H 117 28.661 9.314 27.698 1.00 22.43 C ATOM 1163 CE2 TYR H 117 27.417 10.598 29.337 1.00 20.74 C ATOM 1164 CZ TYR H 117 28.639 10.171 28.804 1.00 20.52 C ATOM 1165 OH TYR H 117 29.807 10.590 29.360 1.00 23.98 O ATOM 1166 N ILE H 118 22.339 10.479 25.469 1.00 17.40 N ATOM 1167 CA ILE H 118 20.896 10.409 25.167 1.00 17.06 C ATOM 1168 C ILE H 118 20.511 11.566 24.238 1.00 16.56 C ATOM 1169 O ILE H 118 20.677 12.742 24.581 1.00 17.16 O ATOM 1170 CB ILE H 118 20.112 10.501 26.477 1.00 21.04 C ATOM 1171 CG1 ILE H 118 20.360 9.306 27.402 1.00 15.57 C ATOM 1172 CG2 ILE H 118 18.601 10.565 26.269 1.00 17.72 C ATOM 1173 CD1 ILE H 118 19.733 9.480 28.786 1.00 19.18 C ATOM 1174 N HIS H 119 19.994 11.208 23.073 1.00 16.79 N ATOM 1175 CA HIS H 119 19.630 12.197 22.039 1.00 18.20 C ATOM 1176 C HIS H 119 18.795 11.523 20.939 1.00 14.45 C ATOM 1177 O HIS H 119 19.078 10.392 20.622 1.00 16.24 O ATOM 1178 CB HIS H 119 20.925 12.741 21.447 1.00 16.08 C ATOM 1179 CG HIS H 119 20.729 14.030 20.682 1.00 18.15 C ATOM 1180 ND1 HIS H 119 20.819 15.268 21.302 1.00 17.85 N ATOM 1181 CD2 HIS H 119 20.454 14.259 19.379 1.00 20.51 C ATOM 1182 CE1 HIS H 119 20.599 16.191 20.389 1.00 19.01 C ATOM 1183 NE2 HIS H 119 20.378 15.607 19.235 1.00 20.43 N ATOM 1184 N PRO H 120 17.803 12.213 20.425 1.00 17.15 N ATOM 1185 CA PRO H 120 16.847 11.544 19.568 1.00 16.47 C ATOM 1186 C PRO H 120 17.432 11.494 18.130 1.00 18.14 C ATOM 1187 O PRO H 120 18.150 12.326 17.617 1.00 16.82 O ATOM 1188 CB PRO H 120 15.644 12.471 19.588 1.00 17.66 C ATOM 1189 CG PRO H 120 16.135 13.856 20.008 1.00 19.43 C ATOM 1190 CD PRO H 120 17.331 13.508 20.900 1.00 17.96 C ATOM 1191 N VAL H 121 16.964 10.448 17.398 1.00 11.66 N ATOM 1192 CA VAL H 121 17.266 10.298 15.959 1.00 13.99 C ATOM 1193 C VAL H 121 16.118 10.930 15.171 1.00 16.41 C ATOM 1194 O VAL H 121 15.005 11.105 15.689 1.00 14.71 O ATOM 1195 CB VAL H 121 17.363 8.770 15.605 1.00 13.79 C ATOM 1196 CG1 VAL H 121 16.003 8.068 15.607 1.00 12.06 C ATOM 1197 CG2 VAL H 121 17.960 8.514 14.220 1.00 13.99 C ATOM 1198 N CYS H 122 16.400 11.271 13.934 1.00 11.55 N ATOM 1199 CA CYS H 122 15.393 11.870 13.049 1.00 12.24 C ATOM 1200 C CYS H 122 14.644 10.779 12.296 1.00 11.49 C ATOM 1201 O CYS H 122 15.154 9.668 12.107 1.00 16.27 O ATOM 1202 CB CYS H 122 16.052 12.766 11.999 1.00 14.28 C ATOM 1203 SG CYS H 122 17.115 14.054 12.711 1.00 15.61 S ATOM 1204 N LEU H 123 13.448 11.132 11.895 1.00 14.53 N ATOM 1205 CA LEU H 123 12.601 10.259 11.083 1.00 11.70 C ATOM 1206 C LEU H 123 12.498 10.843 9.743 1.00 17.06 C ATOM 1207 O LEU H 123 12.615 12.079 9.643 1.00 17.00 O ATOM 1208 CB LEU H 123 11.173 10.195 11.639 1.00 16.85 C ATOM 1209 CG LEU H 123 11.077 9.668 13.067 1.00 23.20 C ATOM 1210 CD1 LEU H 123 9.629 9.521 13.546 1.00 29.70 C ATOM 1211 CD2 LEU H 123 11.713 8.290 13.242 1.00 25.62 C ATOM 1212 N PRO H 124 12.690 10.025 8.671 1.00 17.39 N ATOM 1213 CA PRO H 124 12.879 10.436 7.317 1.00 20.35 C ATOM 1214 C PRO H 124 11.574 11.007 6.736 1.00 20.60 C ATOM 1215 O PRO H 124 10.451 10.863 7.208 1.00 21.75 O ATOM 1216 CB PRO H 124 13.220 9.118 6.524 1.00 20.55 C ATOM 1217 CG PRO H 124 12.370 8.173 7.334 1.00 21.23 C ATOM 1218 CD PRO H 124 12.675 8.525 8.817 1.00 22.80 C ATOM 1219 N ASP H 125 11.805 12.111 5.995 1.00 20.69 N ATOM 1220 CA ASP H 125 10.723 12.674 5.125 1.00 26.54 C ATOM 1221 C ASP H 125 10.779 11.881 3.803 1.00 23.73 C ATOM 1222 O ASP H 125 11.657 11.029 3.604 1.00 24.97 O ATOM 1223 CB ASP H 125 11.026 14.171 4.902 1.00 32.01 C ATOM 1224 CG ASP H 125 12.332 14.465 4.162 1.00 38.16 C ATOM 1225 OD1 ASP H 125 12.632 13.814 3.093 1.00 44.65 O ATOM 1226 OD2 ASP H 125 13.129 15.380 4.607 1.00 71.21 O ATOM 1227 N ARG H 126 9.862 12.161 2.897 1.00 22.56 N ATOM 1228 CA ARG H 126 9.778 11.414 1.620 1.00 21.83 C ATOM 1229 C ARG H 126 11.072 11.495 0.782 1.00 20.05 C ATOM 1230 O ARG H 126 11.535 10.491 0.223 1.00 22.51 O ATOM 1231 CB ARG H 126 8.650 11.936 0.729 1.00 25.67 C ATOM 1232 CG ARG H 126 8.603 11.210 -0.624 1.00 24.18 C ATOM 1233 CD ARG H 126 7.325 11.479 -1.421 1.00 38.30 C ATOM 1234 NE ARG H 126 6.099 11.194 -0.663 1.00 47.20 N ATOM 1235 CZ ARG H 126 5.513 9.989 -0.597 1.00 53.51 C ATOM 1236 NH1 ARG H 126 6.027 8.932 -1.241 1.00 48.13 N ATOM 1237 NH2 ARG H 126 4.395 9.738 0.099 1.00 50.58 N ATOM 1238 N GLU H 127 11.649 12.687 0.691 1.00 26.87 N ATOM 1239 CA GLU H 127 12.857 12.907 -0.144 1.00 27.57 C ATOM 1240 C GLU H 127 14.074 12.156 0.390 1.00 21.78 C ATOM 1241 O GLU H 127 14.797 11.492 -0.364 1.00 22.04 O ATOM 1242 CB GLU H 127 13.244 14.385 -0.217 1.00 34.20 C ATOM 1243 CG GLU H 127 13.654 14.819 -1.636 1.00 65.67 C ATOM 1244 CD GLU H 127 15.073 14.381 -2.040 1.00 73.90 C ATOM 1245 OE1 GLU H 127 15.847 13.805 -1.184 1.00 77.34 O ATOM 1246 OE2 GLU H 127 15.497 14.592 -3.245 1.00 79.01 O ATOM 1247 N THR H 128 14.296 12.276 1.677 1.00 23.20 N ATOM 1248 CA THR H 128 15.438 11.615 2.306 1.00 26.93 C ATOM 1249 C THR H 128 15.313 10.099 2.114 1.00 19.27 C ATOM 1250 O THR H 128 16.303 9.396 1.882 1.00 21.40 O ATOM 1251 CB THR H 128 15.516 11.984 3.784 1.00 41.67 C ATOM 1252 OG1 THR H 128 15.777 13.377 3.917 1.00 32.78 O ATOM 1253 CG2 THR H 128 16.631 11.243 4.525 1.00 32.14 C ATOM 1254 N ALA H 129 14.087 9.614 2.206 1.00 23.48 N ATOM 1255 CA ALA H 129 13.807 8.181 2.023 1.00 19.40 C ATOM 1256 C ALA H 129 14.075 7.778 0.575 1.00 22.97 C ATOM 1257 O ALA H 129 14.722 6.759 0.301 1.00 26.25 O ATOM 1258 CB ALA H 129 12.349 7.876 2.366 1.00 26.76 C ATOM 1259 N ALA H 129A 13.569 8.601 -0.317 1.00 23.30 N ATOM 1260 CA ALA H 129A 13.703 8.381 -1.759 1.00 25.52 C ATOM 1261 C ALA H 129A 15.175 8.380 -2.175 1.00 29.09 C ATOM 1262 O ALA H 129A 15.595 7.613 -3.049 1.00 28.68 O ATOM 1263 CB ALA H 129A 12.991 9.495 -2.530 1.00 28.38 C ATOM 1264 N SER H 129B 15.933 9.235 -1.528 1.00 23.32 N ATOM 1265 CA SER H 129B 17.346 9.428 -1.865 1.00 23.05 C ATOM 1266 C SER H 129B 18.270 8.352 -1.272 1.00 26.56 C ATOM 1267 O SER H 129B 19.259 7.947 -1.897 1.00 26.02 O ATOM 1268 CB SER H 129B 17.837 10.781 -1.344 1.00 23.82 C ATOM 1269 OG SER H 129B 17.485 10.937 0.023 1.00 53.19 O ATOM 1270 N LEU H 129C 17.953 7.877 -0.082 1.00 19.77 N ATOM 1271 CA LEU H 129C 18.870 6.965 0.632 1.00 17.28 C ATOM 1272 C LEU H 129C 18.465 5.479 0.609 1.00 15.67 C ATOM 1273 O LEU H 129C 19.318 4.584 0.692 1.00 16.10 O ATOM 1274 CB LEU H 129C 18.995 7.410 2.081 1.00 16.84 C ATOM 1275 CG LEU H 129C 19.723 8.749 2.200 1.00 21.64 C ATOM 1276 CD1 LEU H 129C 20.021 9.144 3.644 1.00 24.96 C ATOM 1277 CD2 LEU H 129C 21.072 8.757 1.476 1.00 30.82 C ATOM 1278 N LEU H 130 17.187 5.192 0.507 1.00 17.63 N ATOM 1279 CA LEU H 130 16.727 3.788 0.506 1.00 23.20 C ATOM 1280 C LEU H 130 16.870 3.171 -0.890 1.00 25.27 C ATOM 1281 O LEU H 130 15.873 2.913 -1.580 1.00 27.93 O ATOM 1282 CB LEU H 130 15.265 3.702 0.930 1.00 31.77 C ATOM 1283 CG LEU H 130 15.085 3.641 2.448 1.00 39.19 C ATOM 1284 CD1 LEU H 130 13.618 3.688 2.879 1.00 40.05 C ATOM 1285 CD2 LEU H 130 15.659 2.365 3.067 1.00 23.44 C ATOM 1286 N GLN H 131 18.120 2.950 -1.256 1.00 24.61 N ATOM 1287 CA GLN H 131 18.487 2.350 -2.549 1.00 24.84 C ATOM 1288 C GLN H 131 19.398 1.148 -2.334 1.00 25.75 C ATOM 1289 O GLN H 131 20.261 1.149 -1.447 1.00 19.18 O ATOM 1290 CB GLN H 131 19.278 3.341 -3.404 1.00 23.20 C ATOM 1291 CG GLN H 131 18.594 4.693 -3.578 1.00 33.45 C ATOM 1292 CD GLN H 131 19.260 5.542 -4.662 1.00 39.11 C ATOM 1293 OE1 GLN H 131 19.480 5.056 -5.771 1.00 46.87 O ATOM 1294 NE2 GLN H 131 19.603 6.790 -4.408 1.00 33.47 N ATOM 1295 N ALA H 132 19.192 0.141 -3.154 1.00 21.27 N ATOM 1296 CA ALA H 132 20.011 -1.071 -3.100 1.00 23.53 C ATOM 1297 C ALA H 132 21.487 -0.673 -3.214 1.00 22.81 C ATOM 1298 O ALA H 132 21.881 0.077 -4.116 1.00 21.14 O ATOM 1299 CB ALA H 132 19.645 -2.000 -4.261 1.00 19.44 C ATOM 1300 N GLY H 133 22.283 -1.171 -2.284 1.00 16.87 N ATOM 1301 CA GLY H 133 23.734 -0.904 -2.272 1.00 18.57 C ATOM 1302 C GLY H 133 24.116 0.053 -1.134 1.00 19.86 C ATOM 1303 O GLY H 133 25.170 -0.098 -0.499 1.00 19.45 O ATOM 1304 N TYR H 134 23.257 1.033 -0.910 1.00 19.76 N ATOM 1305 CA TYR H 134 23.455 2.025 0.163 1.00 17.62 C ATOM 1306 C TYR H 134 23.412 1.301 1.504 1.00 17.05 C ATOM 1307 O TYR H 134 22.535 0.462 1.751 1.00 17.47 O ATOM 1308 CB TYR H 134 22.338 3.062 0.138 1.00 16.06 C ATOM 1309 CG TYR H 134 22.485 4.086 -0.982 1.00 21.70 C ATOM 1310 CD1 TYR H 134 23.082 3.720 -2.193 1.00 24.38 C ATOM 1311 CD2 TYR H 134 22.019 5.391 -0.791 1.00 26.03 C ATOM 1312 CE1 TYR H 134 23.210 4.662 -3.219 1.00 23.72 C ATOM 1313 CE2 TYR H 134 22.147 6.333 -1.818 1.00 27.35 C ATOM 1314 CZ TYR H 134 22.742 5.968 -3.032 1.00 25.98 C ATOM 1315 OH TYR H 134 22.864 6.884 -4.029 1.00 34.34 O ATOM 1316 N LYS H 135 24.354 1.638 2.354 1.00 15.12 N ATOM 1317 CA LYS H 135 24.474 0.986 3.659 1.00 14.49 C ATOM 1318 C LYS H 135 23.839 1.809 4.775 1.00 15.12 C ATOM 1319 O LYS H 135 23.886 3.050 4.760 1.00 14.70 O ATOM 1320 CB LYS H 135 25.942 0.778 4.014 1.00 20.25 C ATOM 1321 CG LYS H 135 26.607 -0.303 3.164 1.00 19.96 C ATOM 1322 CD LYS H 135 28.116 -0.387 3.386 1.00 17.77 C ATOM 1323 CE LYS H 135 28.799 -1.399 2.465 1.00 16.02 C ATOM 1324 NZ LYS H 135 30.241 -1.522 2.718 1.00 18.09 N ATOM 1325 N GLY H 136 23.278 1.040 5.684 1.00 16.27 N ATOM 1326 CA GLY H 136 22.650 1.525 6.910 1.00 11.69 C ATOM 1327 C GLY H 136 23.416 0.915 8.079 1.00 15.33 C ATOM 1328 O GLY H 136 24.368 0.146 7.883 1.00 17.74 O ATOM 1329 N ARG H 137 22.993 1.256 9.270 1.00 13.20 N ATOM 1330 CA ARG H 137 23.650 0.772 10.489 1.00 13.37 C ATOM 1331 C ARG H 137 22.607 0.271 11.489 1.00 13.52 C ATOM 1332 O ARG H 137 21.628 0.967 11.793 1.00 14.94 O ATOM 1333 CB ARG H 137 24.447 1.915 11.115 1.00 11.30 C ATOM 1334 CG ARG H 137 25.061 1.559 12.470 1.00 14.55 C ATOM 1335 CD ARG H 137 25.891 2.701 13.064 1.00 15.83 C ATOM 1336 NE ARG H 137 27.134 2.956 12.320 1.00 15.26 N ATOM 1337 CZ ARG H 137 27.924 4.021 12.517 1.00 19.16 C ATOM 1338 NH1 ARG H 137 27.616 4.949 13.434 1.00 15.36 N ATOM 1339 NH2 ARG H 137 29.057 4.249 11.840 1.00 14.81 N ATOM 1340 N VAL H 138 22.859 -0.933 11.965 1.00 12.24 N ATOM 1341 CA VAL H 138 22.001 -1.601 12.953 1.00 11.41 C ATOM 1342 C VAL H 138 22.793 -1.798 14.252 1.00 14.56 C ATOM 1343 O VAL H 138 23.972 -2.178 14.230 1.00 15.61 O ATOM 1344 CB VAL H 138 21.550 -2.961 12.413 1.00 19.42 C ATOM 1345 CG1 VAL H 138 20.484 -3.627 13.286 1.00 19.70 C ATOM 1346 CG2 VAL H 138 20.945 -2.877 11.011 1.00 21.15 C ATOM 1347 N THR H 139 22.118 -1.527 15.353 1.00 15.84 N ATOM 1348 CA THR H 139 22.706 -1.637 16.700 1.00 14.26 C ATOM 1349 C THR H 139 21.751 -2.398 17.626 1.00 16.12 C ATOM 1350 O THR H 139 20.525 -2.344 17.464 1.00 16.42 O ATOM 1351 CB THR H 139 22.943 -0.234 17.267 1.00 13.74 C ATOM 1352 OG1 THR H 139 21.784 0.567 17.077 1.00 14.98 O ATOM 1353 CG2 THR H 139 24.112 0.492 16.597 1.00 16.38 C ATOM 1354 N GLY H 140 22.332 -3.102 18.588 1.00 15.85 N ATOM 1355 CA GLY H 140 21.546 -3.885 19.559 1.00 11.36 C ATOM 1356 C GLY H 140 22.450 -4.684 20.506 1.00 13.89 C ATOM 1357 O GLY H 140 23.670 -4.776 20.301 1.00 18.17 O ATOM 1358 N TRP H 141 21.790 -5.237 21.514 1.00 18.26 N ATOM 1359 CA TRP H 141 22.427 -6.055 22.559 1.00 17.06 C ATOM 1360 C TRP H 141 22.032 -7.531 22.390 1.00 23.70 C ATOM 1361 O TRP H 141 22.209 -8.349 23.306 1.00 22.98 O ATOM 1362 CB TRP H 141 21.962 -5.596 23.949 1.00 15.25 C ATOM 1363 CG TRP H 141 22.541 -4.245 24.388 1.00 17.82 C ATOM 1364 CD1 TRP H 141 23.778 -4.004 24.846 1.00 21.21 C ATOM 1365 CD2 TRP H 141 21.836 -3.013 24.380 1.00 18.29 C ATOM 1366 NE1 TRP H 141 23.854 -2.605 25.144 1.00 17.65 N ATOM 1367 CE2 TRP H 141 22.703 -2.043 24.867 1.00 23.87 C ATOM 1368 CE3 TRP H 141 20.539 -2.642 24.006 1.00 19.41 C ATOM 1369 CZ2 TRP H 141 22.341 -0.699 25.019 1.00 24.28 C ATOM 1370 CZ3 TRP H 141 20.186 -1.285 24.156 1.00 22.42 C ATOM 1371 CH2 TRP H 141 21.045 -0.361 24.641 1.00 24.72 C ATOM 1372 N GLY H 142 21.505 -7.823 21.211 1.00 20.75 N ATOM 1373 CA GLY H 142 21.044 -9.175 20.840 1.00 22.58 C ATOM 1374 C GLY H 142 22.227 -10.148 20.756 1.00 22.51 C ATOM 1375 O GLY H 142 23.387 -9.758 20.955 1.00 21.36 O ATOM 1376 N ASN H 143 21.873 -11.388 20.454 1.00 25.31 N ATOM 1377 CA ASN H 143 22.826 -12.508 20.336 1.00 23.73 C ATOM 1378 C ASN H 143 23.932 -12.193 19.331 1.00 26.48 C ATOM 1379 O ASN H 143 23.720 -11.454 18.357 1.00 22.27 O ATOM 1380 CB ASN H 143 22.105 -13.768 19.852 1.00 25.58 C ATOM 1381 CG ASN H 143 21.146 -14.345 20.892 1.00 26.70 C ATOM 1382 OD1 ASN H 143 21.099 -13.861 22.021 1.00 32.97 O ATOM 1383 ND2 ASN H 143 20.367 -15.363 20.576 1.00 33.20 N ATOM 1384 N LEU H 144 25.078 -12.783 19.614 1.00 21.50 N ATOM 1385 CA LEU H 144 26.280 -12.635 18.791 1.00 19.90 C ATOM 1386 C LEU H 144 26.312 -13.736 17.689 1.00 24.39 C ATOM 1387 O LEU H 144 27.094 -13.653 16.730 1.00 26.15 O ATOM 1388 CB LEU H 144 27.537 -12.755 19.673 1.00 23.76 C ATOM 1389 CG LEU H 144 27.721 -11.577 20.634 1.00 29.48 C ATOM 1390 CD1 LEU H 144 28.851 -11.800 21.643 1.00 22.07 C ATOM 1391 CD2 LEU H 144 28.059 -10.267 19.920 1.00 24.01 C ATOM 1392 N LYS H 145 25.445 -14.761 17.839 1.00 26.02 N ATOM 1393 CA LYS H 145 25.367 -15.911 16.873 1.00 26.81 C ATOM 1394 C LYS H 145 23.999 -16.655 16.939 1.00 22.46 C ATOM 1395 O LYS H 145 23.044 -16.180 17.575 1.00 23.61 O ATOM 1396 CB LYS H 145 26.460 -16.934 17.186 1.00 42.73 C ATOM 1397 CG LYS H 145 27.225 -16.624 18.475 1.00 42.53 C ATOM 1398 CD LYS H 145 28.454 -17.517 18.666 1.00 45.60 C ATOM 1399 CE LYS H 145 29.503 -17.334 17.567 1.00 53.97 C ATOM 1400 NZ LYS H 145 30.819 -17.877 17.931 1.00 50.75 N ATOM 1401 N GLU H 146 23.945 -17.830 16.253 1.00 26.49 N ATOM 1402 CA GLU H 146 22.720 -18.700 16.210 1.00 36.62 C ATOM 1403 C GLU H 146 22.803 -19.808 17.351 1.00 41.11 C ATOM 1404 O GLU H 146 21.909 -19.897 18.212 1.00 39.41 O ATOM 1405 CB GLU H 146 22.475 -19.296 14.814 1.00 40.36 C ATOM 1406 CG GLU H 146 21.054 -18.951 14.311 1.00 44.82 C ATOM 1407 CD GLU H 146 20.709 -19.461 12.903 1.00 37.76 C ATOM 1408 OE1 GLU H 146 21.519 -19.262 11.921 1.00 42.21 O ATOM 1409 OE2 GLU H 146 19.593 -20.084 12.696 1.00 27.82 O ATOM 1410 N THR H 147 23.830 -20.812 17.539 1.00 46.82 N ATOM 1411 CA THR H 147 23.603 -21.525 18.864 1.00 54.99 C ATOM 1412 C THR H 147 24.147 -20.544 19.873 1.00 57.81 C ATOM 1413 O THR H 147 25.358 -20.472 20.117 1.00 60.46 O ATOM 1414 N LYS H 149E 30.453 -15.427 21.141 1.00 64.03 N ATOM 1415 CA LYS H 149E 29.900 -16.021 22.367 1.00 65.67 C ATOM 1416 C LYS H 149E 28.384 -15.970 22.292 1.00 62.36 C ATOM 1417 O LYS H 149E 27.789 -16.078 21.214 1.00 67.90 O ATOM 1418 CB LYS H 149E 30.448 -15.339 23.627 1.00 73.48 C ATOM 1419 N GLY H 150 27.763 -15.814 23.427 1.00 54.86 N ATOM 1420 CA GLY H 150 26.305 -15.777 23.478 1.00 47.49 C ATOM 1421 C GLY H 150 25.806 -14.360 23.244 1.00 41.26 C ATOM 1422 O GLY H 150 25.330 -14.021 22.142 1.00 41.27 O ATOM 1423 N GLN H 151 25.950 -13.606 24.304 1.00 35.62 N ATOM 1424 CA GLN H 151 25.498 -12.230 24.364 1.00 37.85 C ATOM 1425 C GLN H 151 26.658 -11.257 24.686 1.00 40.47 C ATOM 1426 O GLN H 151 27.729 -11.721 25.156 1.00 38.74 O ATOM 1427 CB GLN H 151 24.443 -12.083 25.462 1.00 39.29 C ATOM 1428 N PRO H 152 26.581 -10.057 24.101 1.00 30.14 N ATOM 1429 CA PRO H 152 27.674 -9.109 24.256 1.00 22.87 C ATOM 1430 C PRO H 152 27.740 -8.530 25.616 1.00 19.53 C ATOM 1431 O PRO H 152 26.780 -8.230 26.338 1.00 28.96 O ATOM 1432 CB PRO H 152 27.335 -8.120 23.104 1.00 25.59 C ATOM 1433 CG PRO H 152 25.820 -7.983 23.117 1.00 21.24 C ATOM 1434 CD PRO H 152 25.441 -9.508 23.310 1.00 26.85 C ATOM 1435 N SER H 153 29.018 -7.982 25.893 1.00 22.43 N ATOM 1436 CA SER H 153 29.134 -7.191 27.098 1.00 20.18 C ATOM 1437 C SER H 153 28.596 -5.765 26.877 1.00 17.86 C ATOM 1438 O SER H 153 28.050 -5.136 27.790 1.00 19.80 O ATOM 1439 CB SER H 153 30.709 -7.116 27.377 1.00 21.65 C ATOM 1440 OG SER H 153 30.977 -6.146 28.379 1.00 30.11 O ATOM 1441 N VAL H 154 28.769 -5.256 25.660 1.00 21.02 N ATOM 1442 CA VAL H 154 28.314 -3.888 25.323 1.00 17.98 C ATOM 1443 C VAL H 154 27.622 -3.834 23.958 1.00 13.95 C ATOM 1444 O VAL H 154 27.734 -4.763 23.144 1.00 17.09 O ATOM 1445 CB VAL H 154 29.494 -2.912 25.284 1.00 15.87 C ATOM 1446 CG1 VAL H 154 30.343 -2.946 26.555 1.00 18.63 C ATOM 1447 CG2 VAL H 154 30.460 -3.180 24.129 1.00 20.14 C ATOM 1448 N LEU H 155 26.926 -2.723 23.775 1.00 15.79 N ATOM 1449 CA LEU H 155 26.177 -2.419 22.547 1.00 15.91 C ATOM 1450 C LEU H 155 27.037 -2.748 21.322 1.00 15.78 C ATOM 1451 O LEU H 155 28.208 -2.352 21.239 1.00 18.98 O ATOM 1452 CB LEU H 155 25.815 -0.929 22.532 1.00 14.99 C ATOM 1453 CG LEU H 155 24.872 -0.544 21.391 1.00 13.23 C ATOM 1454 CD1 LEU H 155 23.506 -1.225 21.488 1.00 12.33 C ATOM 1455 CD2 LEU H 155 24.582 0.959 21.337 1.00 15.76 C ATOM 1456 N GLN H 156 26.426 -3.471 20.397 1.00 13.82 N ATOM 1457 CA GLN H 156 27.087 -3.891 19.146 1.00 13.28 C ATOM 1458 C GLN H 156 26.544 -3.076 17.967 1.00 16.07 C ATOM 1459 O GLN H 156 25.407 -2.581 18.002 1.00 14.62 O ATOM 1460 CB GLN H 156 26.834 -5.379 18.891 1.00 19.54 C ATOM 1461 CG GLN H 156 27.470 -6.284 19.950 1.00 15.27 C ATOM 1462 CD GLN H 156 28.997 -6.190 19.981 1.00 17.84 C ATOM 1463 OE1 GLN H 156 29.562 -5.666 20.940 1.00 26.43 O ATOM 1464 NE2 GLN H 156 29.709 -6.670 18.978 1.00 12.83 N ATOM 1465 N VAL H 157 27.387 -2.966 16.953 1.00 18.72 N ATOM 1466 CA VAL H 157 27.077 -2.208 15.729 1.00 17.70 C ATOM 1467 C VAL H 157 27.599 -2.937 14.490 1.00 16.99 C ATOM 1468 O VAL H 157 28.628 -3.623 14.538 1.00 18.71 O ATOM 1469 CB VAL H 157 27.762 -0.839 15.777 1.00 18.70 C ATOM 1470 CG1 VAL H 157 27.365 0.070 14.613 1.00 16.35 C ATOM 1471 CG2 VAL H 157 27.447 -0.053 17.048 1.00 25.85 C ATOM 1472 N VAL H 158 26.868 -2.763 13.405 1.00 12.97 N ATOM 1473 CA VAL H 158 27.230 -3.343 12.103 1.00 21.36 C ATOM 1474 C VAL H 158 26.536 -2.577 10.978 1.00 18.51 C ATOM 1475 O VAL H 158 25.345 -2.247 11.070 1.00 17.99 O ATOM 1476 CB VAL H 158 26.822 -4.819 12.022 1.00 20.16 C ATOM 1477 CG1 VAL H 158 25.312 -5.022 11.892 1.00 16.10 C ATOM 1478 CG2 VAL H 158 27.438 -5.541 10.817 1.00 21.40 C ATOM 1479 N ASN H 159 27.322 -2.310 9.952 1.00 14.93 N ATOM 1480 CA ASN H 159 26.856 -1.615 8.743 1.00 16.71 C ATOM 1481 C ASN H 159 26.535 -2.665 7.681 1.00 17.38 C ATOM 1482 O ASN H 159 27.345 -3.565 7.410 1.00 19.00 O ATOM 1483 CB ASN H 159 27.943 -0.664 8.238 1.00 17.97 C ATOM 1484 CG ASN H 159 28.345 0.390 9.274 1.00 24.96 C ATOM 1485 OD1 ASN H 159 27.516 0.808 10.081 1.00 18.39 O ATOM 1486 ND2 ASN H 159 29.582 0.851 9.301 1.00 24.33 N ATOM 1487 N LEU H 160 25.357 -2.530 7.101 1.00 14.35 N ATOM 1488 CA LEU H 160 24.868 -3.497 6.109 1.00 14.95 C ATOM 1489 C LEU H 160 24.172 -2.838 4.927 1.00 16.30 C ATOM 1490 O LEU H 160 23.446 -1.805 5.085 1.00 15.43 O ATOM 1491 CB LEU H 160 23.821 -4.414 6.740 1.00 15.08 C ATOM 1492 CG LEU H 160 24.336 -5.161 7.964 1.00 18.79 C ATOM 1493 CD1 LEU H 160 23.216 -5.824 8.768 1.00 21.54 C ATOM 1494 CD2 LEU H 160 25.313 -6.279 7.603 1.00 16.88 C ATOM 1495 N PRO H 161 24.477 -3.309 3.716 1.00 12.96 N ATOM 1496 CA PRO H 161 23.783 -2.720 2.579 1.00 12.10 C ATOM 1497 C PRO H 161 22.364 -3.133 2.327 1.00 17.35 C ATOM 1498 O PRO H 161 21.987 -4.319 2.510 1.00 18.33 O ATOM 1499 CB PRO H 161 24.680 -3.236 1.369 1.00 16.45 C ATOM 1500 CG PRO H 161 25.135 -4.611 1.892 1.00 14.91 C ATOM 1501 CD PRO H 161 25.355 -4.475 3.410 1.00 19.52 C ATOM 1502 N ILE H 162 21.531 -2.203 1.878 1.00 13.54 N ATOM 1503 CA ILE H 162 20.148 -2.504 1.514 1.00 13.03 C ATOM 1504 C ILE H 162 20.220 -3.414 0.286 1.00 18.22 C ATOM 1505 O ILE H 162 21.062 -3.218 -0.603 1.00 17.86 O ATOM 1506 CB ILE H 162 19.513 -1.149 1.106 1.00 13.56 C ATOM 1507 CG1 ILE H 162 19.232 -0.261 2.321 1.00 16.22 C ATOM 1508 CG2 ILE H 162 18.178 -1.310 0.376 1.00 16.60 C ATOM 1509 CD1 ILE H 162 18.953 1.194 1.957 1.00 17.45 C ATOM 1510 N VAL H 163 19.352 -4.391 0.238 1.00 17.87 N ATOM 1511 CA VAL H 163 19.344 -5.356 -0.870 1.00 18.49 C ATOM 1512 C VAL H 163 18.136 -5.113 -1.788 1.00 19.36 C ATOM 1513 O VAL H 163 17.069 -4.674 -1.333 1.00 15.17 O ATOM 1514 CB VAL H 163 19.297 -6.771 -0.295 1.00 18.97 C ATOM 1515 CG1 VAL H 163 19.141 -7.849 -1.364 1.00 20.97 C ATOM 1516 CG2 VAL H 163 20.564 -7.139 0.485 1.00 14.80 C ATOM 1517 N GLU H 164 18.354 -5.406 -3.068 1.00 17.79 N ATOM 1518 CA GLU H 164 17.324 -5.270 -4.123 1.00 19.46 C ATOM 1519 C GLU H 164 16.078 -6.067 -3.717 1.00 20.50 C ATOM 1520 O GLU H 164 16.179 -7.182 -3.191 1.00 21.31 O ATOM 1521 CB GLU H 164 17.860 -5.812 -5.452 1.00 23.43 C ATOM 1522 CG GLU H 164 18.977 -4.952 -6.049 1.00 32.60 C ATOM 1523 CD GLU H 164 20.364 -5.314 -5.513 1.00 38.57 C ATOM 1524 OE1 GLU H 164 20.481 -6.151 -4.538 1.00 28.04 O ATOM 1525 OE2 GLU H 164 21.417 -4.781 -6.034 1.00 50.53 O ATOM 1526 N ARG H 165 14.924 -5.480 -3.981 1.00 17.10 N ATOM 1527 CA ARG H 165 13.624 -6.062 -3.587 1.00 19.47 C ATOM 1528 C ARG H 165 13.381 -7.486 -4.187 1.00 20.97 C ATOM 1529 O ARG H 165 13.065 -8.386 -3.426 1.00 19.51 O ATOM 1530 CB ARG H 165 12.457 -5.162 -4.033 1.00 21.01 C ATOM 1531 CG ARG H 165 11.085 -5.667 -3.545 1.00 34.32 C ATOM 1532 CD ARG H 165 10.071 -4.544 -3.270 1.00 36.81 C ATOM 1533 NE ARG H 165 10.569 -3.540 -2.317 1.00 23.87 N ATOM 1534 CZ ARG H 165 10.301 -3.540 -1.001 1.00 30.55 C ATOM 1535 NH1 ARG H 165 9.529 -4.485 -0.448 1.00 20.13 N ATOM 1536 NH2 ARG H 165 10.775 -2.625 -0.141 1.00 23.62 N ATOM 1537 N PRO H 166 13.804 -7.741 -5.404 1.00 23.20 N ATOM 1538 CA PRO H 166 13.678 -9.099 -5.953 1.00 19.02 C ATOM 1539 C PRO H 166 14.527 -10.088 -5.284 1.00 26.19 C ATOM 1540 O PRO H 166 14.055 -11.241 -5.024 1.00 21.60 O ATOM 1541 CB PRO H 166 13.923 -8.925 -7.515 1.00 22.99 C ATOM 1542 CG PRO H 166 13.603 -7.507 -7.776 1.00 24.46 C ATOM 1543 CD PRO H 166 14.197 -6.775 -6.501 1.00 21.15 C ATOM 1544 N VAL H 167 15.731 -9.746 -4.796 1.00 19.70 N ATOM 1545 CA VAL H 167 16.637 -10.570 -4.117 1.00 18.62 C ATOM 1546 C VAL H 167 16.095 -10.875 -2.729 1.00 18.92 C ATOM 1547 O VAL H 167 16.221 -11.999 -2.226 1.00 17.26 O ATOM 1548 CB VAL H 167 18.049 -9.980 -4.095 1.00 18.87 C ATOM 1549 CG1 VAL H 167 19.035 -10.819 -3.280 1.00 18.33 C ATOM 1550 CG2 VAL H 167 18.664 -9.853 -5.490 1.00 25.38 C ATOM 1551 N CYS H 168 15.481 -9.880 -2.140 1.00 18.72 N ATOM 1552 CA CYS H 168 14.871 -10.037 -0.821 1.00 15.67 C ATOM 1553 C CYS H 168 13.757 -11.088 -0.899 1.00 14.62 C ATOM 1554 O CYS H 168 13.689 -12.016 -0.084 1.00 15.59 O ATOM 1555 CB CYS H 168 14.265 -8.713 -0.356 1.00 17.13 C ATOM 1556 SG CYS H 168 15.518 -7.462 0.060 1.00 18.13 S ATOM 1557 N LYS H 169 12.916 -10.913 -1.899 1.00 17.07 N ATOM 1558 CA LYS H 169 11.743 -11.773 -2.119 1.00 16.15 C ATOM 1559 C LYS H 169 12.135 -13.223 -2.446 1.00 21.03 C ATOM 1560 O LYS H 169 11.472 -14.177 -2.013 1.00 20.31 O ATOM 1561 CB LYS H 169 10.907 -11.215 -3.273 1.00 17.32 C ATOM 1562 CG LYS H 169 10.268 -9.866 -2.928 1.00 37.56 C ATOM 1563 CD LYS H 169 9.301 -9.361 -3.999 1.00 46.13 C ATOM 1564 CE LYS H 169 8.159 -8.518 -3.424 1.00 56.76 C ATOM 1565 NZ LYS H 169 7.734 -7.434 -4.321 1.00 61.73 N ATOM 1566 N ASP H 170 13.208 -13.364 -3.196 1.00 21.38 N ATOM 1567 CA ASP H 170 13.677 -14.682 -3.670 1.00 20.57 C ATOM 1568 C ASP H 170 14.496 -15.441 -2.619 1.00 23.58 C ATOM 1569 O ASP H 170 14.914 -16.585 -2.836 1.00 19.75 O ATOM 1570 CB ASP H 170 14.571 -14.512 -4.895 1.00 15.86 C ATOM 1571 CG ASP H 170 13.772 -14.284 -6.175 1.00 25.42 C ATOM 1572 OD1 ASP H 170 12.485 -14.357 -6.150 1.00 17.40 O ATOM 1573 OD2 ASP H 170 14.385 -14.019 -7.276 1.00 26.16 O ATOM 1574 N SER H 171 14.719 -14.817 -1.489 1.00 17.88 N ATOM 1575 CA SER H 171 15.529 -15.434 -0.430 1.00 17.09 C ATOM 1576 C SER H 171 14.659 -16.088 0.649 1.00 18.03 C ATOM 1577 O SER H 171 15.168 -16.734 1.573 1.00 21.74 O ATOM 1578 CB SER H 171 16.389 -14.376 0.258 1.00 17.82 C ATOM 1579 OG SER H 171 15.572 -13.539 1.066 1.00 19.22 O ATOM 1580 N THR H 172 13.354 -15.934 0.524 1.00 15.69 N ATOM 1581 CA THR H 172 12.427 -16.433 1.556 1.00 20.06 C ATOM 1582 C THR H 172 11.085 -16.870 0.952 1.00 15.38 C ATOM 1583 O THR H 172 10.738 -16.511 -0.177 1.00 16.90 O ATOM 1584 CB THR H 172 12.176 -15.294 2.545 1.00 20.73 C ATOM 1585 OG1 THR H 172 11.278 -15.706 3.555 1.00 17.33 O ATOM 1586 CG2 THR H 172 11.581 -14.052 1.872 1.00 18.58 C ATOM 1587 N ARG H 173 10.342 -17.648 1.732 1.00 19.59 N ATOM 1588 CA ARG H 173 9.012 -18.128 1.315 1.00 21.57 C ATOM 1589 C ARG H 173 7.925 -17.214 1.905 1.00 19.86 C ATOM 1590 O ARG H 173 6.747 -17.283 1.530 1.00 20.88 O ATOM 1591 CB ARG H 173 8.785 -19.567 1.784 1.00 24.40 C ATOM 1592 CG ARG H 173 9.846 -20.543 1.268 1.00 18.05 C ATOM 1593 CD ARG H 173 9.606 -21.985 1.724 1.00 17.98 C ATOM 1594 NE ARG H 173 8.261 -22.475 1.390 1.00 20.76 N ATOM 1595 CZ ARG H 173 7.861 -23.744 1.555 1.00 24.65 C ATOM 1596 NH1 ARG H 173 8.692 -24.670 2.051 1.00 24.36 N ATOM 1597 NH2 ARG H 173 6.635 -24.189 1.247 1.00 28.53 N ATOM 1598 N ILE H 174 8.350 -16.366 2.831 1.00 17.71 N ATOM 1599 CA ILE H 174 7.451 -15.397 3.483 1.00 15.45 C ATOM 1600 C ILE H 174 7.106 -14.289 2.488 1.00 17.17 C ATOM 1601 O ILE H 174 7.971 -13.803 1.746 1.00 21.37 O ATOM 1602 CB ILE H 174 8.139 -14.772 4.702 1.00 19.53 C ATOM 1603 CG1 ILE H 174 8.635 -15.815 5.706 1.00 27.90 C ATOM 1604 CG2 ILE H 174 7.221 -13.837 5.493 1.00 17.42 C ATOM 1605 CD1 ILE H 174 8.013 -15.653 7.095 1.00 38.13 C ATOM 1606 N ARG H 175 5.842 -13.919 2.490 1.00 16.17 N ATOM 1607 CA ARG H 175 5.338 -12.858 1.609 1.00 16.80 C ATOM 1608 C ARG H 175 5.838 -11.501 2.111 1.00 22.31 C ATOM 1609 O ARG H 175 5.494 -11.060 3.214 1.00 22.03 O ATOM 1610 CB ARG H 175 3.808 -12.861 1.603 1.00 20.75 C ATOM 1611 CG ARG H 175 3.215 -11.821 0.649 1.00 24.29 C ATOM 1612 CD ARG H 175 1.685 -11.800 0.662 1.00 30.87 C ATOM 1613 NE ARG H 175 1.127 -11.454 1.977 1.00 27.51 N ATOM 1614 CZ ARG H 175 0.786 -10.211 2.342 1.00 28.67 C ATOM 1615 NH1 ARG H 175 0.939 -9.178 1.503 1.00 29.69 N ATOM 1616 NH2 ARG H 175 0.276 -9.896 3.541 1.00 32.79 N ATOM 1617 N ILE H 176 6.650 -10.872 1.284 1.00 20.52 N ATOM 1618 CA ILE H 176 7.225 -9.552 1.591 1.00 21.44 C ATOM 1619 C ILE H 176 6.258 -8.459 1.124 1.00 21.02 C ATOM 1620 O ILE H 176 5.538 -8.620 0.132 1.00 23.08 O ATOM 1621 CB ILE H 176 8.567 -9.401 0.867 1.00 22.55 C ATOM 1622 CG1 ILE H 176 9.559 -10.518 1.207 1.00 25.02 C ATOM 1623 CG2 ILE H 176 9.286 -8.094 1.199 1.00 34.94 C ATOM 1624 CD1 ILE H 176 9.503 -10.939 2.677 1.00 24.56 C ATOM 1625 N THR H 177 6.241 -7.355 1.850 1.00 15.62 N ATOM 1626 CA THR H 177 5.370 -6.218 1.503 1.00 16.05 C ATOM 1627 C THR H 177 6.201 -4.949 1.364 1.00 17.90 C ATOM 1628 O THR H 177 7.395 -4.928 1.691 1.00 16.59 O ATOM 1629 CB THR H 177 4.302 -5.997 2.576 1.00 20.04 C ATOM 1630 OG1 THR H 177 4.879 -5.382 3.716 1.00 16.55 O ATOM 1631 CG2 THR H 177 3.638 -7.295 3.035 1.00 18.39 C ATOM 1632 N ASP H 178 5.537 -3.924 0.882 1.00 15.03 N ATOM 1633 CA ASP H 178 6.161 -2.622 0.651 1.00 16.72 C ATOM 1634 C ASP H 178 6.518 -1.932 1.974 1.00 16.69 C ATOM 1635 O ASP H 178 7.229 -0.919 1.997 1.00 18.14 O ATOM 1636 CB ASP H 178 5.208 -1.714 -0.126 1.00 16.66 C ATOM 1637 CG ASP H 178 5.188 -2.015 -1.626 1.00 32.55 C ATOM 1638 OD1 ASP H 178 6.011 -2.876 -2.122 1.00 23.48 O ATOM 1639 OD2 ASP H 178 4.349 -1.408 -2.395 1.00 28.30 O ATOM 1640 N ASN H 179 6.020 -2.493 3.061 1.00 16.95 N ATOM 1641 CA ASN H 179 6.258 -1.938 4.404 1.00 12.89 C ATOM 1642 C ASN H 179 7.508 -2.565 5.030 1.00 15.40 C ATOM 1643 O ASN H 179 7.784 -2.384 6.227 1.00 14.40 O ATOM 1644 CB ASN H 179 5.046 -2.190 5.293 1.00 13.99 C ATOM 1645 CG ASN H 179 3.780 -1.527 4.749 1.00 21.59 C ATOM 1646 OD1 ASN H 179 3.809 -0.353 4.381 1.00 20.90 O ATOM 1647 ND2 ASN H 179 2.658 -2.217 4.668 1.00 17.94 N ATOM 1648 N MET H 180 8.228 -3.289 4.192 1.00 13.17 N ATOM 1649 CA MET H 180 9.487 -3.945 4.578 1.00 12.57 C ATOM 1650 C MET H 180 10.556 -3.745 3.506 1.00 15.45 C ATOM 1651 O MET H 180 10.248 -3.450 2.343 1.00 16.89 O ATOM 1652 CB MET H 180 9.341 -5.471 4.687 1.00 15.15 C ATOM 1653 CG MET H 180 8.025 -5.936 5.303 1.00 16.08 C ATOM 1654 SD MET H 180 7.831 -7.705 5.214 1.00 15.56 S ATOM 1655 CE MET H 180 6.290 -8.193 5.952 1.00 20.44 C ATOM 1656 N PHE H 181 11.771 -3.921 3.963 1.00 12.20 N ATOM 1657 CA PHE H 181 12.977 -3.895 3.131 1.00 14.55 C ATOM 1658 C PHE H 181 14.003 -4.758 3.845 1.00 14.45 C ATOM 1659 O PHE H 181 13.998 -4.866 5.078 1.00 16.02 O ATOM 1660 CB PHE H 181 13.458 -2.449 2.891 1.00 12.73 C ATOM 1661 CG PHE H 181 14.213 -1.801 4.063 1.00 16.27 C ATOM 1662 CD1 PHE H 181 15.560 -2.114 4.307 1.00 16.78 C ATOM 1663 CD2 PHE H 181 13.557 -0.874 4.882 1.00 14.69 C ATOM 1664 CE1 PHE H 181 16.242 -1.504 5.373 1.00 17.23 C ATOM 1665 CE2 PHE H 181 14.238 -0.266 5.946 1.00 12.49 C ATOM 1666 CZ PHE H 181 15.579 -0.580 6.191 1.00 15.79 C ATOM 1667 N CYS H 182 14.849 -5.386 3.069 1.00 13.17 N ATOM 1668 CA CYS H 182 15.870 -6.274 3.625 1.00 15.11 C ATOM 1669 C CYS H 182 17.257 -5.712 3.342 1.00 14.69 C ATOM 1670 O CYS H 182 17.457 -4.952 2.384 1.00 15.51 O ATOM 1671 CB CYS H 182 15.725 -7.672 3.023 1.00 15.34 C ATOM 1672 SG CYS H 182 16.735 -7.921 1.534 1.00 18.41 S ATOM 1673 N ALA H 183 18.175 -6.108 4.200 1.00 16.53 N ATOM 1674 CA ALA H 183 19.570 -5.674 4.118 1.00 18.14 C ATOM 1675 C ALA H 183 20.499 -6.802 4.548 1.00 15.52 C ATOM 1676 O ALA H 183 20.094 -7.722 5.273 1.00 18.31 O ATOM 1677 CB ALA H 183 19.796 -4.471 5.033 1.00 13.89 C ATOM 1678 N GLY H 184A 21.720 -6.677 4.077 1.00 19.16 N ATOM 1679 CA GLY H 184A 22.785 -7.642 4.348 1.00 16.44 C ATOM 1680 C GLY H 184A 23.562 -7.915 3.063 1.00 15.42 C ATOM 1681 O GLY H 184A 23.119 -7.555 1.962 1.00 17.25 O ATOM 1682 N TYR H 184 24.701 -8.544 3.256 1.00 18.38 N ATOM 1683 CA TYR H 184 25.608 -8.909 2.163 1.00 19.90 C ATOM 1684 C TYR H 184 25.206 -10.249 1.563 1.00 22.13 C ATOM 1685 O TYR H 184 24.662 -11.122 2.252 1.00 21.09 O ATOM 1686 CB TYR H 184 27.034 -9.067 2.688 1.00 18.28 C ATOM 1687 CG TYR H 184 27.660 -7.757 3.152 1.00 23.15 C ATOM 1688 CD1 TYR H 184 28.125 -6.836 2.210 1.00 25.69 C ATOM 1689 CD2 TYR H 184 27.771 -7.486 4.520 1.00 23.55 C ATOM 1690 CE1 TYR H 184 28.706 -5.638 2.635 1.00 21.83 C ATOM 1691 CE2 TYR H 184 28.354 -6.288 4.946 1.00 20.59 C ATOM 1692 CZ TYR H 184 28.822 -5.364 4.003 1.00 21.35 C ATOM 1693 OH TYR H 184 29.389 -4.201 4.416 1.00 22.18 O ATOM 1694 N LYS H 185 25.491 -10.376 0.286 1.00 25.55 N ATOM 1695 CA LYS H 185 25.222 -11.609 -0.454 1.00 28.25 C ATOM 1696 C LYS H 185 26.378 -12.576 -0.224 1.00 29.48 C ATOM 1697 O LYS H 185 27.483 -12.170 0.172 1.00 29.19 O ATOM 1698 CB LYS H 185 25.093 -11.306 -1.944 1.00 27.17 C ATOM 1699 CG LYS H 185 24.336 -10.008 -2.217 1.00 29.12 C ATOM 1700 CD LYS H 185 23.696 -9.973 -3.603 1.00 32.92 C ATOM 1701 CE LYS H 185 22.427 -9.123 -3.652 1.00 46.71 C ATOM 1702 NZ LYS H 185 22.589 -7.895 -4.443 1.00 37.95 N ATOM 1703 N PRO H 186 26.184 -13.874 -0.446 1.00 30.33 N ATOM 1704 CA PRO H 186 27.243 -14.842 -0.251 1.00 33.87 C ATOM 1705 C PRO H 186 28.492 -14.494 -1.042 1.00 32.01 C ATOM 1706 O PRO H 186 29.628 -14.680 -0.520 1.00 32.64 O ATOM 1707 CB PRO H 186 26.604 -16.159 -0.632 1.00 38.12 C ATOM 1708 CG PRO H 186 25.150 -15.886 -0.975 1.00 34.55 C ATOM 1709 CD PRO H 186 24.901 -14.414 -0.893 1.00 30.45 C ATOM 1710 N ASP H 186A 28.335 -13.982 -2.237 1.00 33.52 N ATOM 1711 CA ASP H 186A 29.498 -13.660 -3.085 1.00 43.30 C ATOM 1712 C ASP H 186A 30.258 -12.400 -2.625 1.00 47.84 C ATOM 1713 O ASP H 186A 31.372 -12.118 -3.089 1.00 42.74 O ATOM 1714 CB ASP H 186A 29.046 -13.395 -4.513 1.00 58.19 C ATOM 1715 CG ASP H 186A 28.203 -12.125 -4.629 1.00 77.90 C ATOM 1716 OD1 ASP H 186A 27.959 -11.417 -3.577 1.00 90.06 O ATOM 1717 OD2 ASP H 186A 27.736 -11.762 -5.773 1.00 86.46 O ATOM 1718 N GLU H 186B 29.670 -11.643 -1.714 1.00 43.70 N ATOM 1719 CA GLU H 186B 30.281 -10.373 -1.264 1.00 43.61 C ATOM 1720 C GLU H 186B 31.358 -10.600 -0.179 1.00 40.51 C ATOM 1721 O GLU H 186B 32.256 -9.770 0.018 1.00 47.13 O ATOM 1722 CB GLU H 186B 29.187 -9.409 -0.808 1.00 36.92 C ATOM 1723 CG GLU H 186B 28.553 -8.681 -2.002 1.00 36.42 C ATOM 1724 CD GLU H 186B 27.300 -7.876 -1.656 1.00 43.59 C ATOM 1725 OE1 GLU H 186B 26.586 -8.195 -0.633 1.00 32.16 O ATOM 1726 OE2 GLU H 186B 26.959 -6.872 -2.394 1.00 53.94 O ATOM 1727 N GLY H 186C 31.276 -11.717 0.521 1.00 40.64 N ATOM 1728 CA GLY H 186C 32.299 -12.083 1.532 1.00 45.35 C ATOM 1729 C GLY H 186C 31.984 -11.510 2.923 1.00 48.91 C ATOM 1730 O GLY H 186C 31.798 -12.251 3.898 1.00 50.74 O ATOM 1731 N LYS H 186D 31.952 -10.190 3.015 1.00 43.35 N ATOM 1732 CA LYS H 186D 31.640 -9.518 4.289 1.00 30.72 C ATOM 1733 C LYS H 186D 30.359 -10.137 4.855 1.00 24.00 C ATOM 1734 O LYS H 186D 29.503 -10.625 4.106 1.00 25.57 O ATOM 1735 CB LYS H 186D 31.434 -8.016 4.065 1.00 41.55 C ATOM 1736 CG LYS H 186D 32.649 -7.327 3.438 1.00 42.11 C ATOM 1737 CD LYS H 186D 32.681 -5.816 3.691 1.00 46.08 C ATOM 1738 CE LYS H 186D 33.831 -5.113 2.966 1.00 52.06 C ATOM 1739 NZ LYS H 186D 33.464 -3.782 2.460 1.00 60.08 N ATOM 1740 N ARG H 187 30.245 -10.116 6.168 1.00 22.43 N ATOM 1741 CA ARG H 187 29.072 -10.684 6.857 1.00 25.65 C ATOM 1742 C ARG H 187 28.442 -9.656 7.786 1.00 20.69 C ATOM 1743 O ARG H 187 28.857 -8.493 7.832 1.00 21.46 O ATOM 1744 CB ARG H 187 29.480 -11.875 7.721 1.00 34.25 C ATOM 1745 CG ARG H 187 30.367 -12.881 6.993 1.00 41.79 C ATOM 1746 CD ARG H 187 30.408 -14.236 7.699 1.00 38.17 C ATOM 1747 NE ARG H 187 29.098 -14.898 7.733 1.00 34.12 N ATOM 1748 CZ ARG H 187 28.595 -15.596 6.709 1.00 28.33 C ATOM 1749 NH1 ARG H 187 29.283 -15.732 5.567 1.00 29.44 N ATOM 1750 NH2 ARG H 187 27.401 -16.201 6.728 1.00 31.84 N ATOM 1751 N GLY H 188 27.444 -10.116 8.515 1.00 17.50 N ATOM 1752 CA GLY H 188 26.751 -9.272 9.491 1.00 20.04 C ATOM 1753 C GLY H 188 25.238 -9.388 9.351 1.00 19.51 C ATOM 1754 O GLY H 188 24.707 -9.592 8.249 1.00 19.98 O ATOM 1755 N ASP H 189 24.602 -9.235 10.489 1.00 15.16 N ATOM 1756 CA ASP H 189 23.153 -9.319 10.599 1.00 16.64 C ATOM 1757 C ASP H 189 22.724 -9.066 12.028 1.00 16.73 C ATOM 1758 O ASP H 189 23.529 -9.171 12.965 1.00 19.61 O ATOM 1759 CB ASP H 189 22.699 -10.737 10.229 1.00 16.42 C ATOM 1760 CG ASP H 189 21.189 -10.858 10.013 1.00 28.09 C ATOM 1761 OD1 ASP H 189 20.465 -9.797 9.904 1.00 18.89 O ATOM 1762 OD2 ASP H 189 20.641 -12.025 9.938 1.00 21.27 O ATOM 1763 N ALA H 190 21.468 -8.726 12.145 1.00 15.48 N ATOM 1764 CA ALA H 190 20.841 -8.571 13.444 1.00 15.70 C ATOM 1765 C ALA H 190 20.501 -9.980 13.894 1.00 16.79 C ATOM 1766 O ALA H 190 20.548 -10.929 13.100 1.00 21.54 O ATOM 1767 CB ALA H 190 19.586 -7.705 13.318 1.00 17.48 C ATOM 1768 N CYS H 191 20.174 -10.126 15.143 1.00 16.81 N ATOM 1769 CA CYS H 191 19.820 -11.442 15.673 1.00 21.49 C ATOM 1770 C CYS H 191 18.810 -11.282 16.792 1.00 23.54 C ATOM 1771 O CYS H 191 18.399 -10.164 17.125 1.00 20.01 O ATOM 1772 CB CYS H 191 21.070 -12.150 16.199 1.00 15.63 C ATOM 1773 SG CYS H 191 20.903 -13.964 16.228 1.00 23.73 S ATOM 1774 N GLU H 192 18.441 -12.413 17.334 1.00 23.55 N ATOM 1775 CA GLU H 192 17.484 -12.485 18.436 1.00 20.02 C ATOM 1776 C GLU H 192 17.908 -11.535 19.567 1.00 23.28 C ATOM 1777 O GLU H 192 19.015 -11.648 20.115 1.00 24.03 O ATOM 1778 CB GLU H 192 17.451 -13.917 18.966 1.00 28.93 C ATOM 1779 CG GLU H 192 16.964 -14.007 20.411 1.00 32.25 C ATOM 1780 CD GLU H 192 15.459 -13.782 20.539 1.00 50.89 C ATOM 1781 OE1 GLU H 192 14.701 -13.900 19.502 1.00 51.36 O ATOM 1782 OE2 GLU H 192 14.950 -13.475 21.682 1.00 53.92 O ATOM 1783 N GLY H 193 17.009 -10.614 19.882 1.00 18.31 N ATOM 1784 CA GLY H 193 17.215 -9.631 20.964 1.00 16.18 C ATOM 1785 C GLY H 193 17.445 -8.220 20.402 1.00 16.95 C ATOM 1786 O GLY H 193 17.380 -7.221 21.136 1.00 19.49 O ATOM 1787 N ASP H 194 17.705 -8.170 19.109 1.00 15.59 N ATOM 1788 CA ASP H 194 17.974 -6.905 18.405 1.00 14.42 C ATOM 1789 C ASP H 194 16.678 -6.288 17.858 1.00 17.43 C ATOM 1790 O ASP H 194 16.630 -5.102 17.507 1.00 16.44 O ATOM 1791 CB ASP H 194 18.931 -7.141 17.236 1.00 16.72 C ATOM 1792 CG ASP H 194 20.366 -7.427 17.685 1.00 18.16 C ATOM 1793 OD1 ASP H 194 20.850 -6.832 18.722 1.00 18.84 O ATOM 1794 OD2 ASP H 194 21.091 -8.267 17.026 1.00 16.84 O ATOM 1795 N SER H 195 15.641 -7.104 17.788 1.00 14.34 N ATOM 1796 CA SER H 195 14.330 -6.654 17.286 1.00 19.78 C ATOM 1797 C SER H 195 13.905 -5.374 18.004 1.00 16.41 C ATOM 1798 O SER H 195 14.090 -5.235 19.221 1.00 15.16 O ATOM 1799 CB SER H 195 13.256 -7.710 17.554 1.00 19.28 C ATOM 1800 OG SER H 195 13.458 -8.838 16.720 1.00 17.11 O ATOM 1801 N GLY H 196 13.347 -4.469 17.225 1.00 13.71 N ATOM 1802 CA GLY H 196 12.828 -3.197 17.742 1.00 9.37 C ATOM 1803 C GLY H 196 13.856 -2.060 17.621 1.00 11.33 C ATOM 1804 O GLY H 196 13.500 -0.877 17.607 1.00 15.68 O ATOM 1805 N GLY H 197 15.128 -2.416 17.545 1.00 12.24 N ATOM 1806 CA GLY H 197 16.214 -1.411 17.425 1.00 14.88 C ATOM 1807 C GLY H 197 16.261 -0.874 15.982 1.00 17.18 C ATOM 1808 O GLY H 197 15.545 -1.265 15.028 1.00 15.24 O ATOM 1809 N PRO H 198 17.049 0.188 15.801 1.00 14.63 N ATOM 1810 CA PRO H 198 17.012 0.969 14.596 1.00 12.10 C ATOM 1811 C PRO H 198 18.029 0.621 13.556 1.00 12.02 C ATOM 1812 O PRO H 198 19.115 0.107 13.857 1.00 13.83 O ATOM 1813 CB PRO H 198 17.318 2.369 15.237 1.00 11.23 C ATOM 1814 CG PRO H 198 18.370 2.109 16.364 1.00 12.84 C ATOM 1815 CD PRO H 198 17.850 0.764 16.920 1.00 16.79 C ATOM 1816 N PHE H 199 17.570 0.811 12.256 1.00 11.50 N ATOM 1817 CA PHE H 199 18.516 0.707 11.152 1.00 10.16 C ATOM 1818 C PHE H 199 18.623 2.151 10.632 1.00 11.92 C ATOM 1819 O PHE H 199 17.706 2.664 9.977 1.00 11.96 O ATOM 1820 CB PHE H 199 17.813 -0.233 10.087 1.00 9.30 C ATOM 1821 CG PHE H 199 18.542 -0.242 8.746 1.00 11.81 C ATOM 1822 CD1 PHE H 199 18.449 0.864 7.893 1.00 16.44 C ATOM 1823 CD2 PHE H 199 19.304 -1.353 8.376 1.00 14.42 C ATOM 1824 CE1 PHE H 199 19.121 0.858 6.666 1.00 13.06 C ATOM 1825 CE2 PHE H 199 19.977 -1.360 7.149 1.00 19.35 C ATOM 1826 CZ PHE H 199 19.885 -0.254 6.294 1.00 13.96 C ATOM 1827 N VAL H 200 19.716 2.817 10.952 1.00 10.04 N ATOM 1828 CA VAL H 200 19.877 4.239 10.587 1.00 9.87 C ATOM 1829 C VAL H 200 20.873 4.443 9.447 1.00 11.73 C ATOM 1830 O VAL H 200 21.689 3.563 9.143 1.00 15.76 O ATOM 1831 CB VAL H 200 20.383 5.041 11.786 1.00 12.02 C ATOM 1832 CG1 VAL H 200 19.488 4.902 13.018 1.00 16.86 C ATOM 1833 CG2 VAL H 200 21.782 4.620 12.238 1.00 13.82 C ATOM 1834 N MET H 201 20.744 5.624 8.873 1.00 11.80 N ATOM 1835 CA MET H 201 21.590 6.104 7.777 1.00 9.72 C ATOM 1836 C MET H 201 21.891 7.581 8.001 1.00 11.84 C ATOM 1837 O MET H 201 21.019 8.355 8.420 1.00 13.41 O ATOM 1838 CB MET H 201 20.861 5.962 6.435 1.00 11.58 C ATOM 1839 CG MET H 201 20.349 4.544 6.173 1.00 18.58 C ATOM 1840 SD MET H 201 19.626 4.356 4.556 1.00 17.61 S ATOM 1841 CE MET H 201 20.908 4.218 3.329 1.00 18.95 C ATOM 1842 N LYS H 202 23.122 7.943 7.729 1.00 11.97 N ATOM 1843 CA LYS H 202 23.557 9.332 7.862 1.00 10.45 C ATOM 1844 C LYS H 202 23.448 10.015 6.512 1.00 13.72 C ATOM 1845 O LYS H 202 24.210 9.724 5.581 1.00 15.17 O ATOM 1846 CB LYS H 202 25.004 9.406 8.344 1.00 13.68 C ATOM 1847 CG LYS H 202 25.440 10.836 8.678 1.00 14.03 C ATOM 1848 CD LYS H 202 26.816 10.906 9.343 1.00 14.29 C ATOM 1849 CE LYS H 202 27.349 12.336 9.463 1.00 14.83 C ATOM 1850 NZ LYS H 202 28.398 12.474 10.483 1.00 13.53 N ATOM 1851 N SER H 203 22.493 10.902 6.432 1.00 12.08 N ATOM 1852 CA SER H 203 22.264 11.650 5.210 1.00 13.43 C ATOM 1853 C SER H 203 23.573 12.437 4.831 1.00 14.97 C ATOM 1854 O SER H 203 24.100 13.190 5.586 1.00 16.99 O ATOM 1855 CB SER H 203 21.123 12.651 5.402 1.00 18.54 C ATOM 1856 OG SER H 203 21.121 13.592 4.337 1.00 18.14 O ATOM 1857 N PRO H 204 23.983 12.323 3.593 1.00 13.03 N ATOM 1858 CA PRO H 204 25.145 13.150 3.135 1.00 15.67 C ATOM 1859 C PRO H 204 24.747 14.572 2.768 1.00 18.86 C ATOM 1860 O PRO H 204 25.691 15.317 2.494 1.00 17.65 O ATOM 1861 CB PRO H 204 25.650 12.297 1.983 1.00 16.15 C ATOM 1862 CG PRO H 204 24.340 11.780 1.357 1.00 17.63 C ATOM 1863 CD PRO H 204 23.425 11.417 2.570 1.00 12.62 C ATOM 1864 N PHE H 204A 23.488 14.869 2.744 1.00 16.52 N ATOM 1865 CA PHE H 204A 23.014 16.222 2.385 1.00 19.78 C ATOM 1866 C PHE H 204A 23.051 17.166 3.599 1.00 17.80 C ATOM 1867 O PHE H 204A 23.404 18.345 3.481 1.00 15.49 O ATOM 1868 CB PHE H 204A 21.530 16.131 1.856 1.00 15.86 C ATOM 1869 CG PHE H 204A 21.452 15.191 0.649 1.00 20.47 C ATOM 1870 CD1 PHE H 204A 21.814 15.655 -0.623 1.00 26.62 C ATOM 1871 CD2 PHE H 204A 21.041 13.863 0.816 1.00 21.81 C ATOM 1872 CE1 PHE H 204A 21.763 14.792 -1.725 1.00 20.80 C ATOM 1873 CE2 PHE H 204A 20.991 13.000 -0.286 1.00 21.96 C ATOM 1874 CZ PHE H 204A 21.353 13.465 -1.556 1.00 21.27 C ATOM 1875 N ASN H 204B 22.687 16.660 4.778 1.00 16.33 N ATOM 1876 CA ASN H 204B 22.666 17.522 5.984 1.00 17.66 C ATOM 1877 C ASN H 204B 23.408 16.893 7.184 1.00 19.16 C ATOM 1878 O ASN H 204B 23.392 17.439 8.298 1.00 17.59 O ATOM 1879 CB ASN H 204B 21.224 17.874 6.377 1.00 16.79 C ATOM 1880 CG ASN H 204B 20.380 16.686 6.840 1.00 17.66 C ATOM 1881 OD1 ASN H 204B 19.207 16.865 7.174 1.00 24.93 O ATOM 1882 ND2 ASN H 204B 20.902 15.478 6.883 1.00 13.36 N ATOM 1883 N ASN H 205 24.039 15.765 6.926 1.00 17.23 N ATOM 1884 CA ASN H 205 24.895 15.055 7.907 1.00 19.31 C ATOM 1885 C ASN H 205 24.177 14.765 9.235 1.00 19.09 C ATOM 1886 O ASN H 205 24.764 14.878 10.324 1.00 18.76 O ATOM 1887 CB ASN H 205 26.139 15.893 8.154 1.00 21.24 C ATOM 1888 CG ASN H 205 26.896 16.116 6.850 1.00 32.31 C ATOM 1889 OD1 ASN H 205 27.543 15.192 6.361 1.00 33.73 O ATOM 1890 ND2 ASN H 205 26.840 17.283 6.241 1.00 50.94 N ATOM 1891 N ARG H 206 22.930 14.381 9.093 1.00 16.73 N ATOM 1892 CA ARG H 206 22.071 13.992 10.218 1.00 14.58 C ATOM 1893 C ARG H 206 21.732 12.512 10.087 1.00 13.03 C ATOM 1894 O ARG H 206 21.673 11.967 8.976 1.00 12.99 O ATOM 1895 CB ARG H 206 20.756 14.751 10.167 1.00 15.55 C ATOM 1896 CG ARG H 206 20.755 16.033 10.985 1.00 21.21 C ATOM 1897 CD ARG H 206 19.414 16.755 10.911 1.00 20.95 C ATOM 1898 NE ARG H 206 19.547 18.211 10.958 1.00 25.01 N ATOM 1899 CZ ARG H 206 19.246 18.943 12.032 1.00 25.47 C ATOM 1900 NH1 ARG H 206 18.795 18.364 13.152 1.00 22.00 N ATOM 1901 NH2 ARG H 206 19.364 20.274 12.085 1.00 26.56 N ATOM 1902 N TRP H 207 21.511 11.882 11.217 1.00 11.86 N ATOM 1903 CA TRP H 207 21.147 10.462 11.240 1.00 12.52 C ATOM 1904 C TRP H 207 19.624 10.329 11.225 1.00 10.58 C ATOM 1905 O TRP H 207 18.916 11.005 11.989 1.00 13.28 O ATOM 1906 CB TRP H 207 21.709 9.781 12.488 1.00 12.36 C ATOM 1907 CG TRP H 207 23.237 9.648 12.471 1.00 12.33 C ATOM 1908 CD1 TRP H 207 24.122 10.524 12.958 1.00 13.57 C ATOM 1909 CD2 TRP H 207 23.966 8.551 11.927 1.00 14.49 C ATOM 1910 NE1 TRP H 207 25.425 9.980 12.733 1.00 14.42 N ATOM 1911 CE2 TRP H 207 25.313 8.822 12.132 1.00 12.76 C ATOM 1912 CE3 TRP H 207 23.604 7.357 11.289 1.00 13.95 C ATOM 1913 CZ2 TRP H 207 26.341 7.956 11.740 1.00 13.48 C ATOM 1914 CZ3 TRP H 207 24.648 6.491 10.892 1.00 16.74 C ATOM 1915 CH2 TRP H 207 25.951 6.778 11.110 1.00 18.42 C ATOM 1916 N TYR H 208 19.181 9.460 10.344 1.00 12.30 N ATOM 1917 CA TYR H 208 17.759 9.162 10.149 1.00 7.97 C ATOM 1918 C TYR H 208 17.503 7.679 10.348 1.00 12.14 C ATOM 1919 O TYR H 208 18.278 6.830 9.890 1.00 13.54 O ATOM 1920 CB TYR H 208 17.341 9.491 8.716 1.00 9.59 C ATOM 1921 CG TYR H 208 17.250 10.985 8.449 1.00 12.01 C ATOM 1922 CD1 TYR H 208 16.045 11.656 8.670 1.00 13.04 C ATOM 1923 CD2 TYR H 208 18.372 11.676 7.983 1.00 12.28 C ATOM 1924 CE1 TYR H 208 15.960 13.028 8.429 1.00 14.30 C ATOM 1925 CE2 TYR H 208 18.288 13.050 7.742 1.00 17.20 C ATOM 1926 CZ TYR H 208 17.082 13.726 7.966 1.00 21.17 C ATOM 1927 OH TYR H 208 17.001 15.063 7.734 1.00 19.28 O ATOM 1928 N GLN H 209 16.420 7.383 11.034 1.00 14.22 N ATOM 1929 CA GLN H 209 16.026 5.992 11.237 1.00 12.07 C ATOM 1930 C GLN H 209 15.102 5.570 10.103 1.00 12.09 C ATOM 1931 O GLN H 209 13.935 5.983 10.045 1.00 14.26 O ATOM 1932 CB GLN H 209 15.297 5.781 12.557 1.00 13.23 C ATOM 1933 CG GLN H 209 14.884 4.315 12.736 1.00 11.44 C ATOM 1934 CD GLN H 209 14.394 3.976 14.142 1.00 12.87 C ATOM 1935 OE1 GLN H 209 14.395 4.835 15.018 1.00 14.24 O ATOM 1936 NE2 GLN H 209 13.962 2.756 14.409 1.00 12.32 N ATOM 1937 N MET H 210 15.664 4.755 9.236 1.00 11.14 N ATOM 1938 CA MET H 210 14.965 4.269 8.045 1.00 12.16 C ATOM 1939 C MET H 210 14.216 2.963 8.309 1.00 17.04 C ATOM 1940 O MET H 210 13.180 2.684 7.697 1.00 13.32 O ATOM 1941 CB MET H 210 15.957 3.996 6.916 1.00 13.57 C ATOM 1942 CG MET H 210 16.944 5.140 6.691 1.00 20.58 C ATOM 1943 SD MET H 210 16.149 6.709 6.424 1.00 23.23 S ATOM 1944 CE MET H 210 14.918 6.562 5.147 1.00 25.15 C ATOM 1945 N GLY H 211 14.731 2.151 9.212 1.00 10.82 N ATOM 1946 CA GLY H 211 14.096 0.852 9.484 1.00 11.58 C ATOM 1947 C GLY H 211 14.145 0.476 10.963 1.00 14.29 C ATOM 1948 O GLY H 211 14.825 1.128 11.767 1.00 13.31 O ATOM 1949 N ILE H 212 13.394 -0.577 11.236 1.00 12.92 N ATOM 1950 CA ILE H 212 13.287 -1.200 12.563 1.00 13.99 C ATOM 1951 C ILE H 212 13.500 -2.712 12.413 1.00 14.84 C ATOM 1952 O ILE H 212 12.803 -3.382 11.640 1.00 13.77 O ATOM 1953 CB ILE H 212 11.879 -1.003 13.151 1.00 17.60 C ATOM 1954 CG1 ILE H 212 11.495 0.465 13.341 1.00 14.39 C ATOM 1955 CG2 ILE H 212 11.711 -1.650 14.527 1.00 12.17 C ATOM 1956 CD1 ILE H 212 9.999 0.657 13.613 1.00 12.88 C ATOM 1957 N VAL H 213 14.467 -3.246 13.142 1.00 12.64 N ATOM 1958 CA VAL H 213 14.738 -4.696 13.100 1.00 11.95 C ATOM 1959 C VAL H 213 13.415 -5.433 13.330 1.00 13.09 C ATOM 1960 O VAL H 213 12.770 -5.273 14.376 1.00 14.21 O ATOM 1961 CB VAL H 213 15.748 -5.081 14.182 1.00 15.43 C ATOM 1962 CG1 VAL H 213 16.130 -6.563 14.139 1.00 11.61 C ATOM 1963 CG2 VAL H 213 17.066 -4.311 14.071 1.00 18.43 C ATOM 1964 N SER H 214 13.031 -6.232 12.344 1.00 13.20 N ATOM 1965 CA SER H 214 11.740 -6.945 12.380 1.00 13.29 C ATOM 1966 C SER H 214 11.895 -8.472 12.446 1.00 12.16 C ATOM 1967 O SER H 214 11.542 -9.114 13.442 1.00 14.92 O ATOM 1968 CB SER H 214 10.917 -6.616 11.139 1.00 15.58 C ATOM 1969 OG SER H 214 9.590 -7.094 11.301 1.00 13.92 O ATOM 1970 N TRP H 215 12.401 -9.072 11.378 1.00 15.62 N ATOM 1971 CA TRP H 215 12.550 -10.539 11.353 1.00 18.55 C ATOM 1972 C TRP H 215 13.667 -10.984 10.417 1.00 22.24 C ATOM 1973 O TRP H 215 14.225 -10.181 9.657 1.00 16.07 O ATOM 1974 CB TRP H 215 11.238 -11.211 10.909 1.00 10.50 C ATOM 1975 CG TRP H 215 10.698 -10.758 9.541 1.00 15.33 C ATOM 1976 CD1 TRP H 215 9.977 -9.658 9.276 1.00 14.01 C ATOM 1977 CD2 TRP H 215 10.874 -11.460 8.315 1.00 15.37 C ATOM 1978 NE1 TRP H 215 9.677 -9.672 7.873 1.00 14.88 N ATOM 1979 CE2 TRP H 215 10.206 -10.741 7.331 1.00 16.59 C ATOM 1980 CE3 TRP H 215 11.534 -12.642 7.964 1.00 15.87 C ATOM 1981 CZ2 TRP H 215 10.142 -11.151 5.992 1.00 17.95 C ATOM 1982 CZ3 TRP H 215 11.474 -13.041 6.612 1.00 18.84 C ATOM 1983 CH2 TRP H 215 10.809 -12.331 5.674 1.00 20.14 C ATOM 1984 N GLY H 216 13.938 -12.266 10.533 1.00 16.79 N ATOM 1985 CA GLY H 216 14.964 -12.955 9.752 1.00 14.91 C ATOM 1986 C GLY H 216 14.932 -14.440 10.096 1.00 20.92 C ATOM 1987 O GLY H 216 14.591 -14.832 11.220 1.00 21.33 O ATOM 1988 N GLU H 217 15.279 -15.233 9.110 1.00 17.34 N ATOM 1989 CA GLU H 217 15.324 -16.688 9.260 1.00 19.69 C ATOM 1990 C GLU H 217 16.738 -17.076 9.655 1.00 20.83 C ATOM 1991 O GLU H 217 17.611 -17.274 8.796 1.00 27.62 O ATOM 1992 CB GLU H 217 14.887 -17.338 7.956 1.00 21.53 C ATOM 1993 CG GLU H 217 13.422 -17.040 7.634 1.00 28.99 C ATOM 1994 CD GLU H 217 13.070 -17.262 6.166 1.00 37.59 C ATOM 1995 OE1 GLU H 217 13.954 -17.738 5.359 1.00 61.40 O ATOM 1996 OE2 GLU H 217 11.887 -16.979 5.739 1.00 51.54 O ATOM 1997 N GLY H 219 16.897 -17.166 10.955 1.00 20.24 N ATOM 1998 CA GLY H 219 18.188 -17.427 11.573 1.00 26.25 C ATOM 1999 C GLY H 219 18.913 -16.091 11.658 1.00 28.64 C ATOM 2000 O GLY H 219 18.284 -15.022 11.629 1.00 24.92 O ATOM 2001 N CYS H 220 20.214 -16.164 11.752 1.00 22.60 N ATOM 2002 CA CYS H 220 21.044 -14.962 11.833 1.00 21.84 C ATOM 2003 C CYS H 220 22.342 -15.160 11.064 1.00 25.82 C ATOM 2004 O CYS H 220 23.080 -16.124 11.299 1.00 25.95 O ATOM 2005 CB CYS H 220 21.389 -14.651 13.289 1.00 19.83 C ATOM 2006 SG CYS H 220 19.933 -14.603 14.377 1.00 22.49 S ATOM 2007 N ASP H 221A 22.567 -14.232 10.165 1.00 19.57 N ATOM 2008 CA ASP H 221A 23.780 -14.187 9.342 1.00 21.38 C ATOM 2009 C ASP H 221A 23.991 -15.461 8.527 1.00 26.47 C ATOM 2010 O ASP H 221A 25.130 -15.903 8.313 1.00 25.87 O ATOM 2011 CB ASP H 221A 25.014 -14.014 10.221 1.00 16.52 C ATOM 2012 CG ASP H 221A 26.235 -13.551 9.426 1.00 22.71 C ATOM 2013 OD1 ASP H 221A 26.105 -12.647 8.514 1.00 24.77 O ATOM 2014 OD2 ASP H 221A 27.393 -14.066 9.663 1.00 27.06 O ATOM 2015 N ARG H 221 22.899 -16.031 8.082 1.00 22.94 N ATOM 2016 CA ARG H 221 22.944 -17.225 7.234 1.00 22.43 C ATOM 2017 C ARG H 221 23.204 -16.795 5.797 1.00 24.37 C ATOM 2018 O ARG H 221 22.666 -15.784 5.328 1.00 23.82 O ATOM 2019 CB ARG H 221 21.602 -17.954 7.266 1.00 25.04 C ATOM 2020 CG ARG H 221 21.395 -18.798 8.519 1.00 23.97 C ATOM 2021 CD ARG H 221 20.267 -19.818 8.364 1.00 39.95 C ATOM 2022 NE ARG H 221 19.661 -20.201 9.645 1.00 35.24 N ATOM 2023 CZ ARG H 221 18.459 -20.779 9.763 1.00 45.62 C ATOM 2024 NH1 ARG H 221 17.713 -21.050 8.683 1.00 40.09 N ATOM 2025 NH2 ARG H 221 17.910 -21.130 10.933 1.00 36.73 N ATOM 2026 N ASP H 222 24.029 -17.557 5.119 1.00 22.69 N ATOM 2027 CA ASP H 222 24.325 -17.295 3.709 1.00 24.94 C ATOM 2028 C ASP H 222 23.031 -17.435 2.902 1.00 26.85 C ATOM 2029 O ASP H 222 22.318 -18.439 3.013 1.00 30.50 O ATOM 2030 CB ASP H 222 25.318 -18.333 3.176 1.00 30.33 C ATOM 2031 CG ASP H 222 26.781 -17.898 3.260 1.00 45.64 C ATOM 2032 OD1 ASP H 222 27.122 -16.926 4.034 1.00 34.27 O ATOM 2033 OD2 ASP H 222 27.675 -18.509 2.557 1.00 44.08 O ATOM 2034 N GLY H 223 22.729 -16.425 2.111 1.00 26.52 N ATOM 2035 CA GLY H 223 21.547 -16.459 1.226 1.00 22.64 C ATOM 2036 C GLY H 223 20.298 -15.852 1.886 1.00 24.63 C ATOM 2037 O GLY H 223 19.273 -15.627 1.226 1.00 26.70 O ATOM 2038 N LYS H 224 20.386 -15.605 3.177 1.00 16.83 N ATOM 2039 CA LYS H 224 19.280 -14.986 3.931 1.00 16.02 C ATOM 2040 C LYS H 224 19.635 -13.528 4.221 1.00 18.81 C ATOM 2041 O LYS H 224 20.811 -13.142 4.203 1.00 21.97 O ATOM 2042 CB LYS H 224 19.048 -15.725 5.251 1.00 16.10 C ATOM 2043 CG LYS H 224 18.670 -17.195 5.060 1.00 22.96 C ATOM 2044 CD LYS H 224 17.357 -17.389 4.296 1.00 24.45 C ATOM 2045 CE LYS H 224 16.823 -18.822 4.379 1.00 40.28 C ATOM 2046 NZ LYS H 224 15.412 -18.933 3.982 1.00 35.44 N ATOM 2047 N TYR H 225 18.610 -12.745 4.480 1.00 18.52 N ATOM 2048 CA TYR H 225 18.775 -11.317 4.778 1.00 17.31 C ATOM 2049 C TYR H 225 17.861 -10.919 5.924 1.00 19.52 C ATOM 2050 O TYR H 225 16.836 -11.567 6.178 1.00 18.22 O ATOM 2051 CB TYR H 225 18.419 -10.486 3.546 1.00 20.13 C ATOM 2052 CG TYR H 225 19.286 -10.868 2.353 1.00 17.90 C ATOM 2053 CD1 TYR H 225 20.508 -10.222 2.147 1.00 22.01 C ATOM 2054 CD2 TYR H 225 18.862 -11.872 1.478 1.00 21.94 C ATOM 2055 CE1 TYR H 225 21.315 -10.587 1.066 1.00 22.93 C ATOM 2056 CE2 TYR H 225 19.671 -12.241 0.399 1.00 24.98 C ATOM 2057 CZ TYR H 225 20.899 -11.600 0.195 1.00 30.36 C ATOM 2058 OH TYR H 225 21.688 -11.964 -0.850 1.00 24.95 O ATOM 2059 N GLY H 226 18.272 -9.866 6.589 1.00 16.19 N ATOM 2060 CA GLY H 226 17.510 -9.297 7.697 1.00 15.24 C ATOM 2061 C GLY H 226 16.437 -8.384 7.118 1.00 15.98 C ATOM 2062 O GLY H 226 16.692 -7.610 6.186 1.00 15.73 O ATOM 2063 N PHE H 227 15.251 -8.499 7.670 1.00 14.16 N ATOM 2064 CA PHE H 227 14.114 -7.687 7.228 1.00 10.47 C ATOM 2065 C PHE H 227 13.812 -6.631 8.283 1.00 13.35 C ATOM 2066 O PHE H 227 13.879 -6.900 9.492 1.00 15.38 O ATOM 2067 CB PHE H 227 12.914 -8.585 6.964 1.00 11.79 C ATOM 2068 CG PHE H 227 13.052 -9.324 5.635 1.00 13.49 C ATOM 2069 CD1 PHE H 227 13.831 -10.484 5.561 1.00 21.93 C ATOM 2070 CD2 PHE H 227 12.412 -8.834 4.492 1.00 14.76 C ATOM 2071 CE1 PHE H 227 13.970 -11.155 4.341 1.00 17.29 C ATOM 2072 CE2 PHE H 227 12.551 -9.505 3.271 1.00 14.09 C ATOM 2073 CZ PHE H 227 13.330 -10.666 3.196 1.00 17.45 C ATOM 2074 N TYR H 228 13.492 -5.458 7.778 1.00 13.94 N ATOM 2075 CA TYR H 228 13.232 -4.283 8.610 1.00 12.19 C ATOM 2076 C TYR H 228 11.944 -3.584 8.204 1.00 13.62 C ATOM 2077 O TYR H 228 11.569 -3.568 7.024 1.00 13.37 O ATOM 2078 CB TYR H 228 14.366 -3.280 8.427 1.00 10.63 C ATOM 2079 CG TYR H 228 15.726 -3.889 8.745 1.00 15.04 C ATOM 2080 CD1 TYR H 228 16.373 -4.687 7.794 1.00 14.56 C ATOM 2081 CD2 TYR H 228 16.318 -3.652 9.987 1.00 11.09 C ATOM 2082 CE1 TYR H 228 17.615 -5.256 8.092 1.00 15.43 C ATOM 2083 CE2 TYR H 228 17.559 -4.222 10.286 1.00 14.03 C ATOM 2084 CZ TYR H 228 18.207 -5.025 9.339 1.00 15.26 C ATOM 2085 OH TYR H 228 19.412 -5.582 9.634 1.00 15.29 O ATOM 2086 N THR H 229 11.305 -3.020 9.209 1.00 13.73 N ATOM 2087 CA THR H 229 10.088 -2.236 9.013 1.00 12.15 C ATOM 2088 C THR H 229 10.481 -0.922 8.333 1.00 11.90 C ATOM 2089 O THR H 229 11.391 -0.219 8.790 1.00 12.53 O ATOM 2090 CB THR H 229 9.421 -1.940 10.361 1.00 13.12 C ATOM 2091 OG1 THR H 229 9.187 -3.148 11.071 1.00 14.98 O ATOM 2092 CG2 THR H 229 8.073 -1.228 10.218 1.00 15.28 C ATOM 2093 N HIS H 230 9.792 -0.643 7.247 1.00 11.60 N ATOM 2094 CA HIS H 230 9.995 0.576 6.436 1.00 15.43 C ATOM 2095 C HIS H 230 9.332 1.752 7.164 1.00 15.87 C ATOM 2096 O HIS H 230 8.134 2.016 6.995 1.00 15.57 O ATOM 2097 CB HIS H 230 9.326 0.344 5.079 1.00 15.83 C ATOM 2098 CG HIS H 230 9.803 1.248 3.942 1.00 16.73 C ATOM 2099 ND1 HIS H 230 9.886 2.630 4.076 1.00 20.35 N ATOM 2100 CD2 HIS H 230 10.202 0.962 2.673 1.00 19.71 C ATOM 2101 CE1 HIS H 230 10.314 3.128 2.927 1.00 19.15 C ATOM 2102 NE2 HIS H 230 10.507 2.146 2.081 1.00 20.45 N ATOM 2103 N VAL H 231 10.135 2.431 7.959 1.00 9.99 N ATOM 2104 CA VAL H 231 9.667 3.534 8.815 1.00 12.42 C ATOM 2105 C VAL H 231 8.956 4.648 8.029 1.00 12.74 C ATOM 2106 O VAL H 231 7.871 5.109 8.404 1.00 15.22 O ATOM 2107 CB VAL H 231 10.831 4.159 9.581 1.00 12.52 C ATOM 2108 CG1 VAL H 231 10.439 5.448 10.312 1.00 18.23 C ATOM 2109 CG2 VAL H 231 11.394 3.231 10.661 1.00 17.08 C ATOM 2110 N PHE H 232 9.543 5.105 6.937 1.00 16.96 N ATOM 2111 CA PHE H 232 8.923 6.215 6.194 1.00 15.07 C ATOM 2112 C PHE H 232 7.525 5.865 5.671 1.00 19.68 C ATOM 2113 O PHE H 232 6.636 6.726 5.604 1.00 19.42 O ATOM 2114 CB PHE H 232 9.690 6.645 4.956 1.00 14.78 C ATOM 2115 CG PHE H 232 8.855 7.669 4.191 1.00 20.41 C ATOM 2116 CD1 PHE H 232 8.671 8.949 4.727 1.00 22.52 C ATOM 2117 CD2 PHE H 232 8.249 7.322 2.980 1.00 21.20 C ATOM 2118 CE1 PHE H 232 7.874 9.880 4.056 1.00 22.51 C ATOM 2119 CE2 PHE H 232 7.448 8.253 2.310 1.00 21.55 C ATOM 2120 CZ PHE H 232 7.259 9.532 2.849 1.00 27.85 C ATOM 2121 N ARG H 233 7.360 4.613 5.306 1.00 16.95 N ATOM 2122 CA ARG H 233 6.096 4.112 4.738 1.00 16.00 C ATOM 2123 C ARG H 233 4.961 4.114 5.768 1.00 24.47 C ATOM 2124 O ARG H 233 3.774 4.081 5.414 1.00 19.93 O ATOM 2125 CB ARG H 233 6.274 2.678 4.243 1.00 16.80 C ATOM 2126 CG ARG H 233 6.543 2.594 2.740 1.00 36.95 C ATOM 2127 CD ARG H 233 5.709 1.517 2.043 1.00 51.77 C ATOM 2128 NE ARG H 233 4.819 2.061 1.007 1.00 66.70 N ATOM 2129 CZ ARG H 233 3.539 1.698 0.853 1.00 65.91 C ATOM 2130 NH1 ARG H 233 2.978 0.788 1.661 1.00 43.86 N ATOM 2131 NH2 ARG H 233 2.727 2.193 -0.091 1.00 69.51 N ATOM 2132 N LEU H 234 5.334 4.151 7.031 1.00 17.58 N ATOM 2133 CA LEU H 234 4.355 4.120 8.131 1.00 17.67 C ATOM 2134 C LEU H 234 4.418 5.403 8.964 1.00 19.83 C ATOM 2135 O LEU H 234 3.920 5.457 10.097 1.00 19.70 O ATOM 2136 CB LEU H 234 4.649 2.931 9.050 1.00 17.40 C ATOM 2137 CG LEU H 234 4.557 1.584 8.329 1.00 23.49 C ATOM 2138 CD1 LEU H 234 5.233 0.445 9.094 1.00 18.02 C ATOM 2139 CD2 LEU H 234 3.113 1.130 8.101 1.00 25.78 C ATOM 2140 N LYS H 235 5.015 6.419 8.378 1.00 17.25 N ATOM 2141 CA LYS H 235 5.219 7.705 9.061 1.00 19.80 C ATOM 2142 C LYS H 235 3.906 8.458 9.292 1.00 20.22 C ATOM 2143 O LYS H 235 3.748 9.191 10.276 1.00 23.95 O ATOM 2144 CB LYS H 235 6.143 8.602 8.249 1.00 31.57 C ATOM 2145 CG LYS H 235 7.202 9.281 9.118 1.00 44.69 C ATOM 2146 CD LYS H 235 6.971 10.784 9.273 1.00 47.37 C ATOM 2147 CE LYS H 235 8.186 11.514 9.844 1.00 45.65 C ATOM 2148 NZ LYS H 235 8.779 12.468 8.897 1.00 38.20 N ATOM 2149 N LYS H 236 2.966 8.294 8.395 1.00 23.31 N ATOM 2150 CA LYS H 236 1.687 8.988 8.538 1.00 27.74 C ATOM 2151 C LYS H 236 0.978 8.507 9.799 1.00 26.92 C ATOM 2152 O LYS H 236 0.324 9.287 10.504 1.00 28.51 O ATOM 2153 CB LYS H 236 0.828 8.775 7.306 1.00 24.56 C ATOM 2154 CG LYS H 236 0.901 9.959 6.340 1.00 35.33 C ATOM 2155 CD LYS H 236 0.332 9.647 4.958 1.00 53.91 C ATOM 2156 CE LYS H 236 0.633 10.740 3.932 1.00 59.91 C ATOM 2157 NZ LYS H 236 0.545 10.262 2.546 1.00 67.39 N ATOM 2158 N TRP H 237 1.124 7.226 10.076 1.00 20.77 N ATOM 2159 CA TRP H 237 0.516 6.640 11.273 1.00 19.86 C ATOM 2160 C TRP H 237 1.220 7.169 12.527 1.00 22.02 C ATOM 2161 O TRP H 237 0.573 7.511 13.526 1.00 21.93 O ATOM 2162 CB TRP H 237 0.626 5.118 11.277 1.00 17.01 C ATOM 2163 CG TRP H 237 0.210 4.539 12.629 1.00 21.00 C ATOM 2164 CD1 TRP H 237 -1.038 4.373 13.087 1.00 23.27 C ATOM 2165 CD2 TRP H 237 1.105 4.088 13.630 1.00 22.04 C ATOM 2166 NE1 TRP H 237 -0.933 3.826 14.405 1.00 24.16 N ATOM 2167 CE2 TRP H 237 0.333 3.673 14.706 1.00 24.15 C ATOM 2168 CE3 TRP H 237 2.498 4.005 13.715 1.00 19.85 C ATOM 2169 CZ2 TRP H 237 0.882 3.184 15.896 1.00 21.59 C ATOM 2170 CZ3 TRP H 237 3.043 3.503 14.914 1.00 19.72 C ATOM 2171 CH2 TRP H 237 2.271 3.113 15.953 1.00 20.73 C ATOM 2172 N ILE H 238 2.540 7.223 12.435 1.00 18.55 N ATOM 2173 CA ILE H 238 3.401 7.696 13.535 1.00 21.33 C ATOM 2174 C ILE H 238 3.019 9.121 13.939 1.00 20.48 C ATOM 2175 O ILE H 238 2.836 9.421 15.128 1.00 20.36 O ATOM 2176 CB ILE H 238 4.870 7.705 13.102 1.00 18.30 C ATOM 2177 CG1 ILE H 238 5.485 6.305 13.040 1.00 19.11 C ATOM 2178 CG2 ILE H 238 5.767 8.509 14.045 1.00 21.86 C ATOM 2179 CD1 ILE H 238 6.907 6.302 12.474 1.00 20.01 C ATOM 2180 N GLN H 239 2.912 9.957 12.923 1.00 25.08 N ATOM 2181 CA GLN H 239 2.581 11.378 13.089 1.00 28.13 C ATOM 2182 C GLN H 239 1.198 11.554 13.708 1.00 33.76 C ATOM 2183 O GLN H 239 1.002 12.387 14.605 1.00 29.67 O ATOM 2184 CB GLN H 239 2.572 12.091 11.741 1.00 36.11 C ATOM 2185 CG GLN H 239 2.811 13.592 11.881 1.00 52.07 C ATOM 2186 CD GLN H 239 4.159 13.908 12.525 1.00 55.26 C ATOM 2187 OE1 GLN H 239 4.220 14.205 13.716 1.00 54.10 O ATOM 2188 NE2 GLN H 239 5.258 13.856 11.798 1.00 66.08 N ATOM 2189 N LYS H 240 0.272 10.766 13.206 1.00 31.99 N ATOM 2190 CA LYS H 240 -1.119 10.805 13.666 1.00 30.35 C ATOM 2191 C LYS H 240 -1.202 10.504 15.168 1.00 31.37 C ATOM 2192 O LYS H 240 -1.928 11.172 15.915 1.00 33.58 O ATOM 2193 CB LYS H 240 -1.963 9.780 12.910 1.00 34.49 C ATOM 2194 CG LYS H 240 -3.331 9.547 13.556 1.00 39.65 C ATOM 2195 CD LYS H 240 -4.456 9.376 12.533 1.00 54.16 C ATOM 2196 CE LYS H 240 -5.173 8.030 12.656 1.00 66.28 C ATOM 2197 NZ LYS H 240 -5.965 7.910 13.889 1.00 62.94 N ATOM 2198 N VAL H 241 -0.452 9.498 15.588 1.00 23.95 N ATOM 2199 CA VAL H 241 -0.437 9.075 17.001 1.00 27.79 C ATOM 2200 C VAL H 241 0.137 10.177 17.891 1.00 28.64 C ATOM 2201 O VAL H 241 -0.455 10.550 18.912 1.00 25.15 O ATOM 2202 CB VAL H 241 0.420 7.824 17.198 1.00 26.75 C ATOM 2203 CG1 VAL H 241 0.705 7.527 18.676 1.00 21.77 C ATOM 2204 CG2 VAL H 241 -0.233 6.558 16.644 1.00 32.34 C ATOM 2205 N ILE H 242 1.285 10.676 17.484 1.00 25.61 N ATOM 2206 CA ILE H 242 1.987 11.720 18.238 1.00 28.58 C ATOM 2207 C ILE H 242 1.185 13.020 18.229 1.00 29.68 C ATOM 2208 O ILE H 242 1.138 13.750 19.229 1.00 31.52 O ATOM 2209 CB ILE H 242 3.379 11.940 17.649 1.00 31.40 C ATOM 2210 CG1 ILE H 242 4.366 10.841 18.050 1.00 29.70 C ATOM 2211 CG2 ILE H 242 4.015 13.259 18.095 1.00 28.50 C ATOM 2212 CD1 ILE H 242 5.627 10.820 17.187 1.00 39.11 C ATOM 2213 N ASP H 243 0.561 13.283 17.103 1.00 30.67 N ATOM 2214 CA ASP H 243 -0.249 14.494 16.929 1.00 34.20 C ATOM 2215 C ASP H 243 -1.497 14.430 17.815 1.00 40.26 C ATOM 2216 O ASP H 243 -1.868 15.412 18.473 1.00 41.31 O ATOM 2217 CB ASP H 243 -0.675 14.639 15.469 1.00 34.26 C ATOM 2218 CG ASP H 243 0.374 15.356 14.618 1.00 39.66 C ATOM 2219 OD1 ASP H 243 1.513 15.675 15.133 1.00 39.85 O ATOM 2220 OD2 ASP H 243 0.121 15.639 13.385 1.00 44.25 O ATOM 2221 N GLN H 244 -2.122 13.267 17.821 1.00 38.97 N ATOM 2222 CA GLN H 244 -3.355 13.055 18.591 1.00 37.56 C ATOM 2223 C GLN H 244 -3.074 12.832 20.074 1.00 39.15 C ATOM 2224 O GLN H 244 -3.907 13.145 20.938 1.00 36.14 O ATOM 2225 CB GLN H 244 -4.120 11.812 18.108 1.00 39.99 C ATOM 2226 CG GLN H 244 -5.313 11.468 19.018 1.00 60.51 C ATOM 2227 CD GLN H 244 -6.212 10.353 18.466 1.00 67.63 C ATOM 2228 OE1 GLN H 244 -7.245 10.041 19.063 1.00 79.46 O ATOM 2229 NE2 GLN H 244 -5.882 9.725 17.354 1.00 59.10 N ATOM 2230 N PHE H 245 -1.902 12.309 20.382 1.00 39.35 N ATOM 2231 CA PHE H 245 -1.626 11.944 21.768 1.00 35.62 C ATOM 2232 C PHE H 245 -0.374 12.572 22.394 1.00 37.76 C ATOM 2233 O PHE H 245 -0.271 12.253 23.634 1.00 43.62 O ATOM 2234 CB PHE H 245 -1.474 10.412 21.894 1.00 37.76 C ATOM 2235 CG PHE H 245 -2.736 9.598 21.498 1.00 49.16 C ATOM 2236 CD1 PHE H 245 -3.870 9.567 22.335 1.00 45.21 C ATOM 2237 CD2 PHE H 245 -2.762 8.865 20.298 1.00 46.89 C ATOM 2238 CE1 PHE H 245 -5.003 8.809 21.973 1.00 60.62 C ATOM 2239 CE2 PHE H 245 -3.890 8.109 19.941 1.00 51.13 C ATOM 2240 CZ PHE H 245 -5.009 8.079 20.778 1.00 51.75 C TER 2241 PHE H 245 ATOM 2242 N GLY I 9 20.469 -13.494 37.284 1.00107.45 N ATOM 2243 CA GLY I 9 21.843 -13.276 37.701 1.00 97.24 C ATOM 2244 C GLY I 9 22.610 -12.484 36.651 1.00 89.03 C ATOM 2245 O GLY I 9 23.651 -11.877 36.944 1.00 90.34 O ATOM 2246 N ASP I 10 22.053 -12.530 35.473 1.00 78.89 N ATOM 2247 CA ASP I 10 22.600 -11.875 34.289 1.00 65.99 C ATOM 2248 C ASP I 10 22.689 -10.354 34.475 1.00 55.66 C ATOM 2249 O ASP I 10 23.751 -9.747 34.286 1.00 52.55 O ATOM 2250 CB ASP I 10 21.674 -12.146 33.113 1.00 72.25 C ATOM 2251 CG ASP I 10 20.208 -12.174 33.543 1.00 79.86 C ATOM 2252 OD1 ASP I 10 19.820 -11.451 34.541 1.00 87.91 O ATOM 2253 OD2 ASP I 10 19.363 -12.916 32.917 1.00 89.50 O ATOM 2254 N PHE I 11 21.563 -9.766 34.847 1.00 44.85 N ATOM 2255 CA PHE I 11 21.446 -8.300 34.967 1.00 39.46 C ATOM 2256 C PHE I 11 21.579 -7.789 36.395 1.00 44.02 C ATOM 2257 O PHE I 11 21.024 -8.370 37.339 1.00 37.12 O ATOM 2258 CB PHE I 11 20.083 -7.837 34.473 1.00 37.89 C ATOM 2259 CG PHE I 11 19.985 -7.885 32.960 1.00 32.68 C ATOM 2260 CD1 PHE I 11 19.538 -9.050 32.336 1.00 33.41 C ATOM 2261 CD2 PHE I 11 20.352 -6.768 32.206 1.00 31.63 C ATOM 2262 CE1 PHE I 11 19.460 -9.100 30.941 1.00 41.62 C ATOM 2263 CE2 PHE I 11 20.274 -6.816 30.813 1.00 35.75 C ATOM 2264 CZ PHE I 11 19.828 -7.983 30.179 1.00 45.76 C ATOM 2265 N GLU I 12 22.317 -6.693 36.472 1.00 33.10 N ATOM 2266 CA GLU I 12 22.532 -5.964 37.719 1.00 36.77 C ATOM 2267 C GLU I 12 21.244 -5.217 38.049 1.00 34.39 C ATOM 2268 O GLU I 12 20.573 -4.683 37.153 1.00 34.40 O ATOM 2269 CB GLU I 12 23.688 -4.973 37.569 1.00 28.11 C ATOM 2270 CG GLU I 12 23.865 -4.084 38.803 1.00 35.95 C ATOM 2271 CD GLU I 12 25.075 -3.153 38.709 1.00 42.81 C ATOM 2272 OE1 GLU I 12 25.769 -3.105 37.623 1.00 35.49 O ATOM 2273 OE2 GLU I 12 25.400 -2.415 39.716 1.00 44.60 O ATOM 2274 N GLU I 13 20.951 -5.212 39.324 1.00 36.39 N ATOM 2275 CA GLU I 13 19.731 -4.612 39.880 1.00 36.06 C ATOM 2276 C GLU I 13 19.624 -3.110 39.605 1.00 41.66 C ATOM 2277 O GLU I 13 20.606 -2.364 39.731 1.00 46.58 O ATOM 2278 CB GLU I 13 19.732 -4.773 41.400 1.00 53.09 C ATOM 2279 CG GLU I 13 19.156 -6.108 41.853 1.00 68.30 C ATOM 2280 CD GLU I 13 17.860 -6.458 41.128 1.00 71.66 C ATOM 2281 OE1 GLU I 13 16.855 -5.653 41.190 1.00 83.53 O ATOM 2282 OE2 GLU I 13 17.775 -7.552 40.455 1.00 59.04 O ATOM 2283 N ILE I 14 18.410 -2.714 39.234 1.00 39.58 N ATOM 2284 CA ILE I 14 18.067 -1.296 39.048 1.00 48.53 C ATOM 2285 C ILE I 14 17.852 -0.707 40.447 1.00 54.83 C ATOM 2286 O ILE I 14 17.020 -1.265 41.140 1.00 53.45 O ATOM 2287 CB ILE I 14 16.765 -1.121 38.260 1.00 39.00 C ATOM 2288 CG1 ILE I 14 16.682 -1.992 37.010 1.00 53.57 C ATOM 2289 CG2 ILE I 14 16.554 0.319 37.775 1.00 47.51 C ATOM 2290 CD1 ILE I 14 17.994 -2.047 36.232 1.00 35.86 C ATOM 2291 N PRO I 15 18.358 0.481 40.709 1.00 61.19 N ATOM 2292 CA PRO I 15 18.167 1.150 41.982 1.00 63.30 C ATOM 2293 C PRO I 15 16.685 1.370 42.149 1.00 70.52 C ATOM 2294 O PRO I 15 16.009 1.655 41.146 1.00 70.98 O ATOM 2295 CB PRO I 15 18.948 2.444 41.852 1.00 63.06 C ATOM 2296 CG PRO I 15 18.994 2.675 40.368 1.00 64.98 C ATOM 2297 CD PRO I 15 19.243 1.287 39.820 1.00 62.91 C ATOM 2298 N GLU I 16 16.194 1.159 43.373 1.00 74.73 N ATOM 2299 CA GLU I 16 14.774 1.309 43.626 1.00 83.01 C ATOM 2300 C GLU I 16 14.250 2.707 43.822 1.00 89.61 C ATOM 2301 O GLU I 16 13.741 3.039 44.895 1.00 96.34 O ATOM 2302 N GLU I 17 14.321 3.603 42.873 1.00 95.67 N ATOM 2303 CA GLU I 17 13.623 4.882 42.887 1.00 99.81 C ATOM 2304 C GLU I 17 12.562 4.746 41.800 1.00102.28 C ATOM 2305 O GLU I 17 11.548 5.458 41.800 1.00103.18 O ATOM 2306 CB GLU I 17 14.519 6.061 42.540 1.00103.54 C ATOM 2307 CG GLU I 17 15.431 6.477 43.692 1.00105.06 C ATOM 2308 CD GLU I 17 16.734 5.684 43.726 1.00105.09 C ATOM 2309 OE1 GLU I 17 16.897 4.680 42.933 1.00105.93 O ATOM 2310 OE2 GLU I 17 17.669 6.017 44.548 1.00106.34 O ATOM 2311 N TYR I 18 12.900 3.800 40.927 1.00103.19 N ATOM 2312 CA TYR I 18 12.083 3.376 39.786 1.00103.03 C ATOM 2313 C TYR I 18 11.566 1.953 40.077 1.00104.38 C ATOM 2314 O TYR I 18 10.420 1.763 40.499 1.00105.64 O ATOM 2315 CB TYR I 18 12.925 3.424 38.503 1.00100.75 C ATOM 2316 CG TYR I 18 14.176 4.300 38.645 1.00 99.09 C ATOM 2317 CD1 TYR I 18 14.101 5.687 38.438 1.00 99.38 C ATOM 2318 CD2 TYR I 18 15.399 3.714 38.986 1.00 99.20 C ATOM 2319 CE1 TYR I 18 15.249 6.482 38.584 1.00 98.81 C ATOM 2320 CE2 TYR I 18 16.543 4.507 39.136 1.00 98.84 C ATOM 2321 CZ TYR I 18 16.469 5.891 38.937 1.00 98.61 C ATOM 2322 OH TYR I 18 17.581 6.659 39.089 1.00 96.67 O ATOM 2323 N LEU I 19 12.427 0.963 39.863 1.00107.80 N ATOM 2324 CA LEU I 19 12.087 -0.457 40.135 1.00109.88 C ATOM 2325 C LEU I 19 12.269 -0.739 41.619 1.00112.34 C ATOM 2326 O LEU I 19 11.858 0.008 42.525 1.00113.15 O ATOM 2327 CB LEU I 19 13.000 -1.382 39.328 1.00114.04 C TER 2328 LEU I 19 HETATM 2329 N1A T29 H 1 18.429 -12.160 11.425 1.00 20.32 N HETATM 2330 N1B T29 H 1 17.981 -9.949 10.948 1.00 18.60 N HETATM 2331 C1 T29 H 1 17.654 -11.132 11.665 1.00 17.35 C HETATM 2332 S2 T29 H 1 16.325 -10.815 12.825 1.00 24.93 S HETATM 2333 C3 T29 H 1 16.301 -12.333 13.687 1.00 22.65 C HETATM 2334 C4 T29 H 1 15.041 -12.309 14.557 1.00 25.16 C HETATM 2335 C5 T29 H 1 14.867 -11.046 15.369 1.00 24.27 C HETATM 2336 C6 T29 H 1 13.663 -11.318 16.340 1.00 21.63 C HETATM 2337 B T29 H 1 13.555 -10.261 17.448 0.99 21.71 B HETATM 2338 O1A T29 H 1 14.630 -9.966 18.356 1.00 21.79 O HETATM 2339 O1B T29 H 1 12.414 -10.338 18.254 1.00 19.85 O HETATM 2340 N7 T29 H 1 12.369 -11.237 15.555 1.00 21.02 N HETATM 2341 C8 T29 H 1 11.754 -12.533 15.352 1.00 30.25 C HETATM 2342 O8 T29 H 1 11.974 -13.597 15.952 1.00 19.05 O HETATM 2343 C9 T29 H 1 10.411 -12.445 14.653 1.00 21.23 C HETATM 2344 C9A T29 H 1 9.207 -12.277 15.676 1.00 24.50 C HETATM 2345 C9B T29 H 1 8.219 -13.499 15.383 1.00 24.23 C HETATM 2346 C9C T29 H 1 8.962 -14.549 14.519 1.00 22.65 C HETATM 2347 N10 T29 H 1 10.051 -13.696 13.964 1.00 22.91 N HETATM 2348 C11 T29 H 1 11.039 -14.185 13.072 1.00 19.34 C HETATM 2349 O11 T29 H 1 12.081 -13.534 12.783 1.00 20.89 O HETATM 2350 C12 T29 H 1 10.837 -15.550 12.458 1.00 19.89 C HETATM 2351 C13 T29 H 1 10.529 -15.489 10.880 1.00 18.71 C HETATM 2352 C21 T29 H 1 9.043 -15.041 10.757 1.00 23.05 C HETATM 2353 C22 T29 H 1 8.757 -13.818 10.112 1.00 22.25 C HETATM 2354 C23 T29 H 1 7.446 -13.287 10.085 1.00 21.35 C HETATM 2355 C24 T29 H 1 6.382 -14.026 10.700 1.00 21.88 C HETATM 2356 C25 T29 H 1 6.667 -15.289 11.310 1.00 28.24 C HETATM 2357 C26 T29 H 1 7.972 -15.772 11.340 1.00 29.60 C HETATM 2358 N14 T29 H 1 12.072 -16.239 12.569 1.00 25.67 N HETATM 2359 C15 T29 H 1 12.011 -17.637 13.087 1.00 54.86 C HETATM 2360 O15 T29 H 1 10.948 -18.201 12.843 1.00 42.33 O HETATM 2361 C16 T29 H 1 12.588 -17.900 14.497 1.00 73.54 C HETATM 2362 C17 T29 H 1 14.120 -17.883 14.357 1.00 84.88 C HETATM 2363 O HOH L 15 30.978 1.207 1.817 1.00 19.03 O HETATM 2364 O HOH L 16 28.383 8.965 6.836 1.00 18.22 O HETATM 2365 O HOH L 17 30.320 12.495 12.914 1.00 15.87 O HETATM 2366 O HOH L 18 33.714 11.163 20.593 1.00 19.71 O HETATM 2367 O HOH L 19 30.706 10.578 7.420 1.00 19.27 O HETATM 2368 O HOH L 20 33.440 1.586 0.976 1.00 29.78 O HETATM 2369 O HOH L 21 34.603 6.702 9.492 1.00 20.83 O HETATM 2370 O HOH L 22 28.998 18.028 22.520 1.00 24.59 O HETATM 2371 O HOH L 23 34.573 13.025 22.596 1.00 25.96 O HETATM 2372 O HOH L 24 37.130 12.840 13.485 1.00 29.24 O HETATM 2373 O HOH L 25 29.855 8.994 -1.383 1.00 23.78 O HETATM 2374 O HOH L 26 33.214 10.211 6.797 1.00 26.30 O HETATM 2375 O HOH L 27 35.982 8.107 1.649 1.00 38.99 O HETATM 2376 O HOH L 28 30.316 12.954 6.562 1.00 28.59 O HETATM 2377 O HOH L 29 30.734 20.197 22.220 1.00 31.26 O HETATM 2378 O HOH L 30 26.110 1.812 -3.322 1.00 29.24 O HETATM 2379 O HOH L 31 34.828 3.311 7.602 1.00 36.35 O HETATM 2380 O HOH L 32 37.935 5.562 3.345 1.00 30.47 O HETATM 2381 O HOH L 33 32.006 16.287 24.871 1.00 44.73 O HETATM 2382 O HOH L 34 30.158 21.891 20.013 1.00 37.86 O HETATM 2383 O HOH L 35 35.754 10.037 19.331 1.00 32.62 O HETATM 2384 O HOH L 36 31.656 -2.467 8.636 1.00 43.36 O HETATM 2385 O HOH L 37 36.283 10.467 16.676 1.00 34.84 O HETATM 2386 O HOH L 38 37.106 8.251 12.184 1.00 44.41 O HETATM 2387 O HOH L 39 38.609 13.053 2.971 1.00 49.50 O HETATM 2388 O HOH L 40 37.294 17.769 13.392 1.00 38.38 O HETATM 2389 O HOH L 41 23.593 17.540 19.420 1.00 39.91 O HETATM 2390 O HOH L 42 35.245 2.798 4.932 1.00 40.12 O HETATM 2391 O HOH L 43 33.491 15.923 11.206 1.00 43.68 O HETATM 2392 O HOH L 44 34.356 0.305 8.115 1.00 43.16 O HETATM 2393 O HOH L 45 36.523 5.013 8.576 1.00 47.93 O HETATM 2394 O HOH L 46 23.107 18.473 21.976 1.00 39.00 O HETATM 2395 O HOH L 47 36.596 1.854 1.661 1.00 37.73 O HETATM 2396 O HOH H 248 25.021 19.643 2.374 1.00 10.72 O HETATM 2397 O HOH H 249 12.012 4.218 5.645 1.00 15.49 O HETATM 2398 O HOH H 250 20.908 5.868 24.244 1.00 14.88 O HETATM 2399 O HOH H 251 22.671 4.109 15.499 1.00 15.36 O HETATM 2400 O HOH H 252 26.664 11.260 21.413 1.00 14.97 O HETATM 2401 O HOH H 253 19.917 2.703 26.096 1.00 17.67 O HETATM 2402 O HOH H 254 6.562 -4.087 8.303 1.00 13.76 O HETATM 2403 O HOH H 255 26.857 10.392 5.119 1.00 15.33 O HETATM 2404 O HOH H 256 25.408 -10.118 5.703 1.00 18.25 O HETATM 2405 O HOH H 257 25.400 4.344 21.810 1.00 19.04 O HETATM 2406 O HOH H 258 8.000 -6.332 9.069 1.00 17.57 O HETATM 2407 O HOH H 259 24.559 -7.657 19.779 1.00 18.20 O HETATM 2408 O HOH H 260 18.998 -4.758 21.379 1.00 18.57 O HETATM 2409 O HOH H 261 15.973 -14.016 3.793 1.00 21.12 O HETATM 2410 O HOH H 262 22.945 -13.527 5.102 1.00 14.99 O HETATM 2411 O HOH H 263 22.756 -11.075 4.323 1.00 17.39 O HETATM 2412 O HOH H 264 22.272 -10.125 6.944 1.00 18.59 O HETATM 2413 O HOH H 265 20.356 -7.655 8.125 1.00 20.32 O HETATM 2414 O HOH H 266 23.387 4.258 23.740 1.00 17.59 O HETATM 2415 O HOH H 267 23.978 -7.004 -0.586 1.00 22.88 O HETATM 2416 O HOH H 268 28.158 4.992 35.725 1.00 32.93 O HETATM 2417 O HOH H 269 25.141 5.363 14.982 1.00 21.44 O HETATM 2418 O HOH H 270 13.547 1.582 16.829 1.00 20.69 O HETATM 2419 O HOH H 271 21.743 1.775 14.441 1.00 16.74 O HETATM 2420 O HOH H 272 17.622 -14.151 -3.180 1.00 20.71 O HETATM 2421 O HOH H 273 3.105 -4.450 -0.593 1.00 29.03 O HETATM 2422 O HOH H 274 18.406 -3.522 18.879 1.00 16.42 O HETATM 2423 O HOH H 275 16.428 -7.455 10.618 1.00 15.37 O HETATM 2424 O HOH H 276 24.811 6.797 24.000 1.00 19.23 O HETATM 2425 O HOH H 277 32.875 8.980 22.240 1.00 20.76 O HETATM 2426 O HOH H 278 -2.745 -10.044 12.386 1.00 22.67 O HETATM 2427 O HOH H 279 27.559 3.295 23.164 1.00 19.85 O HETATM 2428 O HOH H 280 -1.894 -7.406 5.354 1.00 35.20 O HETATM 2429 O HOH H 281 25.306 -13.018 5.791 1.00 19.37 O HETATM 2430 O HOH H 282 21.024 -3.886 34.711 1.00 26.40 O HETATM 2431 O HOH H 283 27.063 5.345 24.863 1.00 20.88 O HETATM 2432 O HOH H 284 0.871 -4.632 2.965 1.00 24.14 O HETATM 2433 O HOH H 285 8.808 -14.124 -0.776 1.00 26.18 O HETATM 2434 O HOH H 286 22.751 10.746 30.653 1.00 21.64 O HETATM 2435 O HOH H 287 23.111 -4.742 -1.861 1.00 22.22 O HETATM 2436 O HOH H 288 29.975 -4.035 6.866 1.00 21.92 O HETATM 2437 O HOH H 289 9.437 -8.971 23.631 1.00 28.06 O HETATM 2438 O HOH H 290 27.064 -6.465 30.314 1.00 25.82 O HETATM 2439 O HOH H 291 19.935 -15.636 8.622 1.00 29.26 O HETATM 2440 O HOH H 292 14.899 -4.047 0.239 1.00 19.60 O HETATM 2441 O HOH H 293 28.675 -8.365 16.818 1.00 22.16 O HETATM 2442 O HOH H 294 26.615 17.949 2.538 1.00 19.16 O HETATM 2443 O HOH H 295 21.854 -12.862 7.076 1.00 23.75 O HETATM 2444 O HOH H 296 29.418 1.611 31.216 1.00 26.25 O HETATM 2445 O HOH H 297 26.517 5.521 27.703 1.00 21.70 O HETATM 2446 O HOH H 298 11.088 -19.018 4.285 1.00 24.07 O HETATM 2447 O HOH H 299 26.557 -14.254 3.829 1.00 28.05 O HETATM 2448 O HOH H 300 24.133 -13.891 2.735 1.00 24.27 O HETATM 2449 O HOH H 301 19.290 -13.324 7.971 1.00 24.77 O HETATM 2450 O HOH H 302 -2.402 -0.073 20.457 1.00 29.08 O HETATM 2451 O HOH H 303 28.509 2.243 36.457 1.00 29.45 O HETATM 2452 O HOH H 304 29.789 0.595 -0.784 1.00 29.22 O HETATM 2453 O HOH H 305 12.179 13.360 13.065 1.00 22.44 O HETATM 2454 O HOH H 306 21.788 15.632 23.874 1.00 24.82 O HETATM 2455 O HOH H 307 21.161 -14.212 -2.201 1.00 26.29 O HETATM 2456 O HOH H 308 33.357 -0.520 25.678 1.00 33.83 O HETATM 2457 O HOH H 309 -1.738 -15.762 22.669 1.00 28.94 O HETATM 2458 O HOH H 310 3.691 -14.958 4.288 1.00 26.61 O HETATM 2459 O HOH H 311 12.967 12.715 15.943 1.00 40.30 O HETATM 2460 O HOH H 312 26.224 14.691 29.271 1.00 26.47 O HETATM 2461 O HOH H 313 16.921 17.866 27.578 1.00 28.09 O HETATM 2462 O HOH H 314 19.129 5.422 35.936 1.00 30.38 O HETATM 2463 O HOH H 315 -0.032 3.198 8.060 1.00 27.95 O HETATM 2464 O HOH H 316 30.775 -6.640 23.892 1.00 26.83 O HETATM 2465 O HOH H 317 29.521 -4.117 30.250 1.00 26.93 O HETATM 2466 O HOH H 318 24.250 11.986 32.422 1.00 39.33 O HETATM 2467 O HOH H 319 27.513 -1.051 -1.048 1.00 26.50 O HETATM 2468 O HOH H 320 7.742 13.854 3.734 1.00 34.15 O HETATM 2469 O HOH H 321 28.030 12.882 5.232 1.00 23.60 O HETATM 2470 O HOH H 322 11.293 9.725 31.746 1.00 31.29 O HETATM 2471 O HOH H 323 25.385 20.652 4.539 1.00 27.79 O HETATM 2472 O HOH H 324 23.265 -4.500 -4.430 1.00 34.43 O HETATM 2473 O HOH H 325 18.761 14.621 3.948 1.00 23.86 O HETATM 2474 O HOH H 326 30.267 -2.746 10.500 1.00 32.75 O HETATM 2475 O HOH H 327 10.334 15.675 1.004 1.00 35.63 O HETATM 2476 O HOH H 328 6.105 -21.450 -0.183 1.00 37.89 O HETATM 2477 O HOH H 329 25.924 7.793 41.713 1.00 27.27 O HETATM 2478 O HOH H 330 33.599 9.496 24.908 1.00 29.04 O HETATM 2479 O HOH H 331 22.208 6.890 38.128 1.00 27.77 O HETATM 2480 O HOH H 332 13.732 -1.011 -0.525 1.00 40.87 O HETATM 2481 O HOH H 333 16.573 -12.311 -7.185 1.00 37.71 O HETATM 2482 O HOH H 334 3.072 -15.223 12.839 1.00 27.46 O HETATM 2483 O HOH H 335 7.051 -11.975 -1.356 1.00 31.49 O HETATM 2484 O HOH H 336 25.556 17.221 25.528 1.00 32.53 O HETATM 2485 O HOH H 337 16.586 7.202 35.824 1.00 35.38 O HETATM 2486 O HOH H 338 36.259 7.691 16.659 1.00 34.25 O HETATM 2487 O HOH H 339 21.706 8.373 35.699 1.00 29.33 O HETATM 2488 O HOH H 340 28.555 -12.935 2.655 1.00 28.85 O HETATM 2489 O HOH H 341 29.297 -12.519 16.159 1.00 30.01 O HETATM 2490 O HOH H 342 30.825 -10.341 17.110 1.00 30.31 O HETATM 2491 O HOH H 343 15.868 -14.049 6.801 1.00 31.44 O HETATM 2492 O HOH H 344 -3.123 -5.972 14.702 1.00 38.96 O HETATM 2493 O HOH H 345 35.196 7.159 19.966 1.00 32.35 O HETATM 2494 O HOH H 346 29.467 10.688 37.008 1.00 26.50 O HETATM 2495 O HOH H 347 34.340 4.921 22.581 1.00 25.45 O HETATM 2496 O HOH H 348 26.785 17.108 11.192 1.00 27.49 O HETATM 2497 O HOH H 349 16.740 -15.739 -7.653 1.00 39.07 O HETATM 2498 O HOH H 350 -3.405 3.911 16.212 1.00 39.40 O HETATM 2499 O HOH H 351 21.143 -10.564 24.769 1.00 32.95 O HETATM 2500 O HOH H 352 2.550 6.608 5.987 1.00 34.86 O HETATM 2501 O HOH H 353 7.041 -5.411 -1.721 1.00 32.81 O HETATM 2502 O HOH H 354 6.235 -17.573 -1.128 1.00 37.43 O HETATM 2503 O HOH H 355 28.263 14.671 2.610 1.00 33.38 O HETATM 2504 O HOH H 356 20.305 12.230 31.056 1.00 38.66 O HETATM 2505 O HOH H 357 4.485 8.133 4.698 1.00 30.45 O HETATM 2506 O HOH H 358 -2.893 -4.142 16.228 1.00 40.68 O HETATM 2507 O HOH H 359 29.396 15.401 10.230 1.00 33.43 O HETATM 2508 O HOH H 360 20.918 -2.998 -7.640 1.00 37.35 O HETATM 2509 O HOH H 361 8.253 0.425 -0.182 1.00 30.48 O HETATM 2510 O HOH H 362 -4.433 -7.714 25.682 1.00 52.90 O HETATM 2511 O HOH H 363 30.670 -6.730 8.409 1.00 39.89 O HETATM 2512 O HOH H 364 25.425 -6.479 -4.527 1.00 42.99 O HETATM 2513 O HOH H 365 8.841 8.378 32.439 1.00 35.35 O HETATM 2514 O HOH H 366 19.069 -15.547 -1.489 1.00 34.33 O HETATM 2515 O HOH H 367 26.945 -19.448 -2.634 1.00 42.36 O HETATM 2516 O HOH H 368 25.525 -19.518 6.243 1.00 46.01 O HETATM 2517 O HOH H 369 14.841 -2.911 -5.488 1.00 30.45 O HETATM 2518 O HOH H 370 2.504 -8.768 -0.617 1.00 33.30 O HETATM 2519 O HOH H 371 -0.163 0.894 6.110 1.00 40.81 O HETATM 2520 O HOH H 372 11.782 16.529 22.284 1.00 33.63 O HETATM 2521 O HOH H 373 34.723 -4.974 18.721 1.00 34.23 O HETATM 2522 O HOH H 374 8.011 -1.702 -3.766 1.00 46.71 O HETATM 2523 O HOH H 375 29.565 17.155 24.937 1.00 39.03 O HETATM 2524 O HOH H 376 28.041 -16.170 11.006 1.00 35.34 O HETATM 2525 O HOH H 377 3.214 -16.891 10.797 1.00 42.59 O HETATM 2526 O HOH H 378 6.402 1.156 32.733 1.00 31.54 O HETATM 2527 O HOH H 379 32.112 10.119 27.373 1.00 33.80 O HETATM 2528 O HOH H 380 34.764 11.766 24.875 1.00 35.12 O HETATM 2529 O HOH H 381 33.545 1.814 16.005 1.00 41.24 O HETATM 2530 O HOH H 382 20.445 -10.088 27.237 1.00 37.51 O HETATM 2531 O HOH H 383 10.155 7.942 -0.519 1.00 38.67 O HETATM 2532 O HOH H 384 32.484 -9.021 7.794 1.00 41.09 O HETATM 2533 O HOH H 385 21.429 9.701 -2.897 1.00 38.97 O HETATM 2534 O HOH H 386 32.238 -7.709 19.097 1.00 39.56 O HETATM 2535 O HOH H 387 33.348 -1.215 3.059 1.00 44.48 O HETATM 2536 O HOH H 388 30.290 -20.485 16.002 1.00 45.06 O HETATM 2537 O HOH H 389 31.213 -3.345 1.029 1.00 35.16 O HETATM 2538 O HOH H 390 31.198 -7.522 31.001 1.00 39.51 O HETATM 2539 O HOH H 391 4.291 -16.677 6.621 1.00 48.19 O HETATM 2540 O HOH H 392 10.919 -0.001 -3.150 1.00 45.59 O HETATM 2541 O HOH H 393 35.188 7.380 25.862 1.00 43.11 O HETATM 2542 O HOH H 394 16.781 -18.285 -3.555 1.00 30.24 O HETATM 2543 O HOH H 395 10.183 14.733 -0.847 1.00 40.08 O HETATM 2544 O HOH H 396 26.203 19.186 12.150 1.00 41.89 O HETATM 2545 O HOH H 397 24.254 1.401 -5.201 1.00 30.97 O HETATM 2546 O HOH H 398 -2.213 -11.977 5.938 1.00 35.78 O HETATM 2547 O HOH H 399 15.768 12.435 32.608 1.00 40.06 O HETATM 2548 O HOH H 400 -6.603 -3.284 14.860 1.00 42.65 O HETATM 2549 O HOH H 401 30.724 15.124 12.116 1.00 36.18 O HETATM 2550 O HOH H 402 1.334 5.512 7.480 1.00 34.50 O HETATM 2551 O HOH H 403 27.616 -5.554 34.435 1.00 40.00 O HETATM 2552 O HOH H 404 17.008 -19.206 1.783 1.00 43.39 O HETATM 2553 O HOH H 405 -3.213 -10.167 2.673 1.00 38.52 O HETATM 2554 O HOH H 406 13.486 16.132 20.174 1.00 42.08 O HETATM 2555 O HOH H 407 33.858 0.983 22.669 1.00 46.16 O HETATM 2556 O HOH H 408 25.947 -4.449 -2.214 1.00 37.79 O HETATM 2557 O HOH H 409 16.815 -11.866 23.941 1.00 61.87 O HETATM 2558 O HOH H 410 -1.223 -13.022 23.628 1.00 39.74 O HETATM 2559 O HOH H 411 2.018 1.723 4.410 1.00 45.64 O HETATM 2560 O HOH H 412 9.010 13.263 16.463 0.00 48.98 O HETATM 2561 O HOH H 413 23.260 6.902 42.396 1.00 37.14 O HETATM 2562 O HOH H 414 -3.881 -11.370 23.941 1.00 47.99 O HETATM 2563 O HOH H 415 -9.060 -15.803 15.074 1.00 39.99 O HETATM 2564 O HOH H 416 -4.565 1.494 6.433 1.00 46.24 O HETATM 2565 O HOH H 417 4.087 -17.174 2.257 1.00 40.12 O HETATM 2566 O HOH H 418 6.291 -9.833 32.306 1.00 56.20 O HETATM 2567 O HOH H 419 17.899 -11.225 28.549 1.00 42.14 O HETATM 2568 O HOH H 420 20.842 0.953 -6.281 1.00 40.90 O HETATM 2569 O HOH H 421 -4.575 -7.899 16.865 1.00 42.49 O HETATM 2570 O HOH H 422 12.041 17.227 2.033 1.00 49.82 O HETATM 2571 O HOH H 423 -4.726 -9.282 22.432 1.00 50.61 O HETATM 2572 O HOH H 424 6.549 -17.630 14.522 1.00 38.59 O HETATM 2573 O HOH H 425 7.768 2.460 -0.471 1.00 44.43 O HETATM 2574 O HOH H 426 14.563 17.865 5.525 1.00 46.57 O HETATM 2575 O HOH H 427 20.345 -16.411 18.664 1.00 42.69 O HETATM 2576 O HOH H 428 11.333 -24.320 3.824 1.00 36.55 O HETATM 2577 O HOH H 429 21.822 19.750 9.511 1.00 46.70 O HETATM 2578 O HOH H 430 18.357 -13.914 -5.872 1.00 40.83 O HETATM 2579 O HOH H 431 33.531 -5.816 25.071 1.00 41.03 O HETATM 2580 O HOH H 432 33.236 -4.706 27.857 1.00 43.80 O HETATM 2581 O HOH H 433 13.128 18.403 23.814 1.00 52.44 O HETATM 2582 O HOH H 434 31.190 -9.694 24.413 1.00 50.52 O HETATM 2583 O HOH H 435 10.088 -12.968 22.931 1.00 59.94 O HETATM 2584 O HOH H 436 21.218 14.266 32.394 1.00 41.83 O HETATM 2585 O HOH H 437 25.004 -17.065 14.141 1.00 48.87 O HETATM 2586 O HOH H 438 -0.625 -6.682 2.040 1.00 42.73 O HETATM 2587 O HOH H 439 10.088 -7.219 -6.088 1.00 41.33 O HETATM 2588 O HOH H 440 33.934 -7.557 21.371 1.00 48.04 O HETATM 2589 O HOH H 441 22.638 4.667 -6.828 1.00 52.38 O HETATM 2590 O HOH H 442 35.469 2.801 22.009 1.00 52.34 O HETATM 2591 O HOH H 443 -3.778 2.054 20.485 1.00 54.70 O HETATM 2592 O HOH H 444 -0.528 11.819 9.998 1.00 39.75 O HETATM 2593 O HOH H 445 -7.443 -13.628 17.323 1.00 45.52 O HETATM 2594 O HOH H 446 33.613 -3.041 5.331 1.00 55.25 O HETATM 2595 O HOH H 447 26.879 -20.255 0.689 1.00 47.62 O HETATM 2596 O HOH H 448 3.233 1.877 33.330 1.00 42.24 O HETATM 2597 O HOH H 449 11.107 -10.357 20.627 1.00 48.94 O HETATM 2598 O HOH H 450 10.363 -9.584 -7.555 1.00 40.41 O HETATM 2599 O HOH H 451 -4.323 -9.929 20.077 1.00 54.26 O HETATM 2600 O HOH H 452 13.216 -17.217 18.234 1.00 45.57 O HETATM 2601 O HOH H 453 -4.294 -16.547 11.625 1.00 40.40 O HETATM 2602 O HOH H 454 27.894 -3.722 -0.246 1.00 39.36 O HETATM 2603 O HOH H 455 8.535 -3.519 -6.481 1.00 45.77 O HETATM 2604 O HOH H 456 -2.318 -12.887 2.813 1.00 44.48 O HETATM 2605 O HOH H 457 11.431 12.983 -3.348 1.00 49.77 O HETATM 2606 O HOH H 458 -5.272 -6.115 12.290 1.00 48.47 O HETATM 2607 O HOH I 113 25.767 0.146 39.195 1.00 33.97 O HETATM 2608 O HOH I 214 22.083 -0.876 41.478 1.00 42.91 O HETATM 2609 O HOH I 247 27.529 -0.793 38.554 1.00 35.83 O CONECT 19 1203 CONECT 442 560 CONECT 560 442 CONECT 1203 19 CONECT 1556 1672 CONECT 1672 1556 CONECT 1773 2006 CONECT 1800 2337 CONECT 2006 1773 CONECT 2329 2331 CONECT 2330 2331 CONECT 2331 2329 2330 2332 CONECT 2332 2331 2333 CONECT 2333 2332 2334 CONECT 2334 2333 2335 CONECT 2335 2334 2336 CONECT 2336 2335 2337 2340 CONECT 2337 1800 2336 2338 2339 CONECT 2338 2337 CONECT 2339 2337 CONECT 2340 2336 2341 CONECT 2341 2340 2342 2343 CONECT 2342 2341 CONECT 2343 2341 2344 2347 CONECT 2344 2343 2345 CONECT 2345 2344 2346 CONECT 2346 2345 2347 CONECT 2347 2343 2346 2348 CONECT 2348 2347 2349 2350 CONECT 2349 2348 CONECT 2350 2348 2351 2358 CONECT 2351 2350 2352 CONECT 2352 2351 2353 2357 CONECT 2353 2352 2354 CONECT 2354 2353 2355 CONECT 2355 2354 2356 CONECT 2356 2355 2357 CONECT 2357 2352 2356 CONECT 2358 2350 2359 CONECT 2359 2358 2360 2361 CONECT 2360 2359 CONECT 2361 2359 2362 CONECT 2362 2361 MASTER 402 0 1 9 13 0 9 6 2606 3 43 25 END
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Entry Information
PDB ID
1a3b
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
thrombin alpha
Ligand Name
21-mer
EC.Number
E.C.3.4.21.5
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.3nM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Proteins v17 pp. 252-65, 1993
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):
P28504
P00734
Entrez Gene ID
NCBI Entrez Gene ID:
2147
ASD
Information of known allosteric effects of PDB entries
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