USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 16-NOV-00 1G86 TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/N-ETHYLMALEIMIDE COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHARCOT-LEYDEN CRYSTAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: EOSINOPHIL LYSOPHOSPHOLIPASE; COMPND 5 EC: 3.1.1.5 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 OTHER_DETAILS: EOSINOPHIL PRIMARY GRANULE KEYWDS BETA BARREL, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR S.J.ACKERMAN,L.LIU,M.A.KWATIA,M.P.SAVAGE,D.D.LEONIDAS, AUTHOR 2 G.J.SWAMINATHAN,K.R.ACHARYA REVDAT 2 24-FEB-09 1G86 1 VERSN REVDAT 1 19-JUN-02 1G86 0 JRNL AUTH S.J.ACKERMAN,L.LIU,M.A.KWATIA,M.P.SAVAGE, JRNL AUTH 2 D.D.LEONIDAS,G.J.SWAMINATHAN,K.R.ACHARYA JRNL TITL CHARCOT-LEYDEN CRYSTAL PROTEIN (GALECTIN-10) IS JRNL TITL 2 NOT A DUAL FUNCTION GALECTIN WITH JRNL TITL 3 LYSOPHOSPHOLIPASE ACTIVITY BUT BINDS A JRNL TITL 4 LYSOPHOSPHOLIPASE INHIBITOR IN A NOVEL STRUCTURAL JRNL TITL 5 FASHION. JRNL REF J.BIOL.CHEM. V. 277 14859 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11834744 JRNL DOI 10.1074/JBC.M200221200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.J.SWAMINATHAN,D.D.LEONIDAS,M.P.SAVAGE, REMARK 1 AUTH 2 S.J.ACKERMAN,K.R.ACHARYA REMARK 1 TITL SELECTIVE RECOGNITION OF MANNOSE BY HUMAN REMARK 1 TITL 2 EOSINOPHIL CHARCOT-LEYDEN CRYSTAL PROTEIN REMARK 1 TITL 3 (GALECTIN-10): A CRYSTALLOGRAPHIC STUDY AT 1.8 A REMARK 1 TITL 4 RESOLUTION. REMARK 1 REF BIOCHEMISTRY V. 38 13837 1999 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI990756E REMARK 1 REFERENCE 2 REMARK 1 AUTH D.D.LEONIDAS,B.L.ELBERT,Z.ZHOU,H.LEFFLER, REMARK 1 AUTH 2 S.J.ACKERMAN,K.R.ACHARYA REMARK 1 TITL CRYSTAL STRUCTURE OF HUMAN CHARCOT-LEYDEN CRYSTAL REMARK 1 TITL 2 PROTEIN, AN EOSINOPHIL LYSOPHOSPHOLIPASE, REMARK 1 TITL 3 IDENTIFIES IT AS A NEW MEMBER OF THE REMARK 1 TITL 4 CARBOHYDRATE-BINDING FAMILY OF GALECTINS. REMARK 1 REF STRUCTURE V. 3 1379 1995 REMARK 1 REFN ISSN 0969-2126 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER 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)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.3 REMARK 3 NUMBER OF REFLECTIONS : 17573 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.203 REMARK 3 FREE R VALUE : 0.242 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 855 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2713 REMARK 3 BIN R VALUE (WORKING SET) : 0.2890 REMARK 3 BIN FREE R VALUE : 0.3330 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 129 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.029 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1145 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 18 REMARK 3 SOLVENT ATOMS : 82 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 15.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.20 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.18 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 29.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.81 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.610 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.590 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.450 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.320 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : PARAM.WATER REMARK 3 PARAMETER FILE 3 : NEM.PAR REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPOW.WATER REMARK 3 TOPOLOGY FILE 3 : NEM.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1G86 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-NOV-00. REMARK 100 THE RCSB ID CODE IS RCSB012354. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-OCT-94; 01-OCT-95 REMARK 200 TEMPERATURE (KELVIN) : 293; 293 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 2 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y; N REMARK 200 RADIATION SOURCE : SRS; ROTATING ANODE REMARK 200 BEAMLINE : PX9.6; NULL REMARK 200 X-RAY GENERATOR MODEL : NULL; RIGAKU RU300 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M REMARK 200 WAVELENGTH OR RANGE (A) : 0.87; 1.5416 REMARK 200 MONOCHROMATOR : NULL; NULL REMARK 200 OPTICS : MIRRORS; MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE; IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH; MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17573 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.3 REMARK 200 DATA REDUNDANCY : 4.080 REMARK 200 R MERGE (I) : 0.13200 REMARK 200 R SYM (I) : 0.05300 REMARK 200 FOR THE DATA SET : 12.8000 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) : 1.91 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.6 REMARK 200 DATA REDUNDANCY IN SHELL : 5.20 REMARK 200 R MERGE FOR SHELL (I) : 0.23300 REMARK 200 R SYM FOR SHELL (I) : 0.18200 REMARK 200 FOR SHELL : 7.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD; SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: 1LCL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.01 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.86 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: TRIS-ACETATE 0.1M, PH7.0, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 176.57333 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 88.28667 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 132.43000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 44.14333 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 220.71667 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 176.57333 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 88.28667 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 44.14333 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 132.43000 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 220.71667 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 171 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 173 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 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 A 142 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 169 O HOH A 169 11555 2.03 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 60 -83.95 -124.43 REMARK 500 LYS A 73 -149.58 -102.42 REMARK 500 ARG A 128 -154.95 90.39 REMARK 500 TYR A 139 50.61 -115.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 69 0.08 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NEQ A 143 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NEQ A 153 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LCL RELATED DB: PDB REMARK 900 CHARCOT-LEYDEN CRYSTAL PROTEIN REMARK 900 RELATED ID: 1QKQ RELATED DB: PDB REMARK 900 CHARCOT-LEYDEN CRYSTAL PROTEIN - MANNOSE COMPLEX DBREF 1G86 A 1 142 UNP Q05315 LPPL_HUMAN 0 141 SEQRES 1 A 142 MET SER LEU LEU PRO VAL PRO TYR THR GLU ALA ALA SER SEQRES 2 A 142 LEU SER THR GLY SER THR VAL THR ILE LYS GLY ARG PRO SEQRES 3 A 142 LEU VAL CYS PHE LEU ASN GLU PRO TYR LEU GLN VAL ASP SEQRES 4 A 142 PHE HIS THR GLU MET LYS GLU GLU SER ASP ILE VAL PHE SEQRES 5 A 142 HIS PHE GLN VAL CYS PHE GLY ARG ARG VAL VAL MET ASN SEQRES 6 A 142 SER ARG GLU TYR GLY ALA TRP LYS GLN GLN VAL GLU SER SEQRES 7 A 142 LYS ASN MET PRO PHE GLN ASP GLY GLN GLU PHE GLU LEU SEQRES 8 A 142 SER ILE SER VAL LEU PRO ASP LYS TYR GLN VAL MET VAL SEQRES 9 A 142 ASN GLY GLN SER SER TYR THR PHE ASP HIS ARG ILE LYS SEQRES 10 A 142 PRO GLU ALA VAL LYS MET VAL GLN VAL TRP ARG ASP ILE SEQRES 11 A 142 SER LEU THR LYS PHE ASN VAL SER TYR LEU LYS ARG HET NEQ A 143 9 HET NEQ A 153 9 HETNAM NEQ N-ETHYLMALEIMIDE FORMUL 2 NEQ 2(C6 H7 N O2) FORMUL 4 HOH *82(H2 O) HELIX 1 1 CYS A 29 GLU A 33 5 5 HELIX 2 2 LYS A 117 VAL A 121 5 5 SHEET 1 A 6 TYR A 8 ALA A 11 0 SHEET 2 A 6 MET A 123 ARG A 128 -1 O VAL A 124 N GLU A 10 SHEET 3 A 6 TYR A 35 HIS A 41 -1 O GLN A 37 N TRP A 127 SHEET 4 A 6 ILE A 50 CYS A 57 -1 N VAL A 51 O PHE A 40 SHEET 5 A 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 A 6 ALA A 71 TRP A 72 -1 O ALA A 71 N GLU A 68 SHEET 1 B 6 TYR A 8 ALA A 11 0 SHEET 2 B 6 MET A 123 ARG A 128 -1 O VAL A 124 N GLU A 10 SHEET 3 B 6 TYR A 35 HIS A 41 -1 O GLN A 37 N TRP A 127 SHEET 4 B 6 ILE A 50 CYS A 57 -1 N VAL A 51 O PHE A 40 SHEET 5 B 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 B 6 VAL A 76 SER A 78 -1 O VAL A 76 N MET A 64 SHEET 1 C 5 GLN A 107 ASP A 113 0 SHEET 2 C 5 LYS A 99 VAL A 104 -1 N TYR A 100 O PHE A 112 SHEET 3 C 5 PHE A 89 VAL A 95 -1 O SER A 92 N MET A 103 SHEET 4 C 5 THR A 19 PRO A 26 -1 O VAL A 20 N ILE A 93 SHEET 5 C 5 ILE A 130 VAL A 137 -1 N SER A 131 O ARG A 25 CISPEP 1 VAL A 6 PRO A 7 0 0.09 SITE *** AC1 2 CYS A 29 ASP A 85 SITE *** AC2 4 GLU A 33 HIS A 53 ASN A 65 TRP A 72 CRYST1 49.710 49.710 264.860 90.00 90.00 120.00 P 65 2 2 12 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 0.020117 0.011614 0.000000 0.00000 SCALE2 0.000000 0.023229 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003776 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN :FLIP amide:sc= 1.58 F(o=1.2,f=2.7) USER MOD Set 1.2: A 108 SER OG : rot 123:sc= 1.07 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 SER OG : rot -51:sc= 0.877 USER MOD Set 3.1: A 41 HIS : no HD1:sc= 1.21 K(o=2.3,f=-4.2!) USER MOD Set 3.2: A 48 SER OG : rot -83:sc= 1.11 USER MOD Set 3.3: A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 37 GLN : amide:sc= 0.72 K(o=0.85,f=-4.7!) USER MOD Set 4.2: A 55 GLN : amide:sc= 0.126 X(o=0.85,f=0.6) USER MOD Single : A 2 SER OG : rot -29:sc= -0.0318 USER MOD Single : A 8 TYR OH : rot -162:sc= 1.28 USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000101 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 52:sc= 0.11 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -78:sc= 1.46 USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.504 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc= -2.96! USER MOD Single : A 32 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 138:sc= 1.11 USER MOD Single : A 44 MET CE :methyl -165:sc= -0.295 (180deg=-0.704) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-7.9!) USER MOD Single : A 57 CYS SG : rot -54:sc= 1.7 USER MOD Single : A 64 MET CE :methyl -158:sc= -0.0549 (180deg=-0.355) USER MOD Single : A 65 ASN : amide:sc= 0.909 K(o=0.91,f=-7.9!) USER MOD Single : A 66 SER OG : rot 146:sc= 1.33 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0.743 (180deg=0.735) USER MOD Single : A 74 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.18) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -153:sc= 0.222 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.321 K(o=0.32,f=-1) USER MOD Single : A 81 MET CE :methyl 164:sc= -0.16 (180deg=-0.576) USER MOD Single : A 84 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.7!) USER MOD Single : A 87 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0.0188 (180deg=0.0147) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.924 USER MOD Single : A 103 MET CE :methyl -125:sc= -0.247 (180deg=-0.833) USER MOD Single : A 105 ASN :FLIP amide:sc= 1.1 F(o=-3.7!,f=1.1) USER MOD Single : A 107 GLN : amide:sc= 1 K(o=1,f=-2.4!) USER MOD Single : A 109 SER OG : rot 160:sc= 0 USER MOD Single : A 110 TYR OH : rot -157:sc= 0.891 USER MOD Single : A 111 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 114 HIS : no HD1:sc= 1.38 K(o=1.4,f=-4.3!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0.959 K(o=0.96,f=0.34) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot -41:sc= 0.0264 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= 1.81 K(o=1.8,f=0.67) USER MOD Single : A 138 SER OG : rot -13:sc= 0.435! USER MOD Single : A 139 TYR OH : rot -157:sc= 1.48 USER MOD Single : A 141 LYS NZ :NH3+ -166:sc= -4.78! (180deg=-5.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -6.105 44.189 69.949 1.00 60.10 N ATOM 2 CA SER A 2 -6.548 45.611 70.047 1.00 59.84 C ATOM 3 C SER A 2 -5.719 46.419 71.058 1.00 58.34 C ATOM 4 O SER A 2 -4.530 46.670 70.828 1.00 59.97 O ATOM 5 CB SER A 2 -8.040 45.674 70.414 1.00 61.89 C ATOM 6 OG SER A 2 -8.288 45.161 71.718 1.00 65.43 O ATOM 0 HA SER A 2 -6.408 46.015 69.177 1.00 59.84 H new ATOM 0 HB2 SER A 2 -8.346 46.593 70.365 1.00 61.89 H new ATOM 0 HB3 SER A 2 -8.554 45.169 69.765 1.00 61.89 H new ATOM 0 HG SER A 2 -7.714 44.576 71.903 1.00 65.43 H new ATOM 7 N LEU A 3 -6.344 46.811 72.171 1.00 54.20 N ATOM 8 CA LEU A 3 -5.692 47.609 73.211 1.00 49.31 C ATOM 9 C LEU A 3 -4.276 47.176 73.601 1.00 45.07 C ATOM 10 O LEU A 3 -3.343 47.980 73.520 1.00 45.15 O ATOM 11 CB LEU A 3 -6.559 47.646 74.477 1.00 51.27 C ATOM 12 CG LEU A 3 -7.916 48.358 74.496 1.00 52.53 C ATOM 13 CD1 LEU A 3 -8.299 48.877 73.111 1.00 53.34 C ATOM 14 CD2 LEU A 3 -8.961 47.373 75.009 1.00 53.18 C ATOM 0 H LEU A 3 -7.164 46.619 72.344 1.00 54.20 H new ATOM 0 HA LEU A 3 -5.599 48.486 72.808 1.00 49.31 H new ATOM 0 HB2 LEU A 3 -6.720 46.725 74.736 1.00 51.27 H new ATOM 0 HB3 LEU A 3 -6.020 48.047 75.177 1.00 51.27 H new ATOM 0 HG LEU A 3 -7.865 49.131 75.080 1.00 52.53 H new ATOM 0 HD11 LEU A 3 -9.160 49.321 73.158 1.00 53.34 H new ATOM 0 HD12 LEU A 3 -7.628 49.506 72.804 1.00 53.34 H new ATOM 0 HD13 LEU A 3 -8.352 48.134 72.490 1.00 53.34 H new ATOM 0 HD21 LEU A 3 -9.830 47.804 75.029 1.00 53.18 H new ATOM 0 HD22 LEU A 3 -8.996 46.603 74.421 1.00 53.18 H new ATOM 0 HD23 LEU A 3 -8.723 47.085 75.904 1.00 53.18 H new ATOM 15 N LEU A 4 -4.116 45.919 74.025 1.00 38.59 N ATOM 16 CA LEU A 4 -2.810 45.418 74.455 1.00 32.48 C ATOM 17 C LEU A 4 -2.023 44.706 73.367 1.00 29.27 C ATOM 18 O LEU A 4 -2.578 44.007 72.532 1.00 29.87 O ATOM 19 CB LEU A 4 -2.974 44.479 75.652 1.00 31.41 C ATOM 20 CG LEU A 4 -3.677 45.059 76.885 1.00 30.11 C ATOM 21 CD1 LEU A 4 -3.763 43.982 77.948 1.00 30.37 C ATOM 22 CD2 LEU A 4 -2.915 46.276 77.414 1.00 26.65 C ATOM 0 H LEU A 4 -4.752 45.342 74.071 1.00 38.59 H new ATOM 0 HA LEU A 4 -2.297 46.205 74.697 1.00 32.48 H new ATOM 0 HB2 LEU A 4 -3.469 43.698 75.360 1.00 31.41 H new ATOM 0 HB3 LEU A 4 -2.094 44.173 75.920 1.00 31.41 H new ATOM 0 HG LEU A 4 -4.570 45.350 76.644 1.00 30.11 H new ATOM 0 HD11 LEU A 4 -4.206 44.338 78.734 1.00 30.37 H new ATOM 0 HD12 LEU A 4 -4.268 43.228 77.605 1.00 30.37 H new ATOM 0 HD13 LEU A 4 -2.869 43.690 78.186 1.00 30.37 H new ATOM 0 HD21 LEU A 4 -3.372 46.631 78.193 1.00 26.65 H new ATOM 0 HD22 LEU A 4 -2.015 46.012 77.660 1.00 26.65 H new ATOM 0 HD23 LEU A 4 -2.875 46.958 76.725 1.00 26.65 H new ATOM 23 N PRO A 5 -0.702 44.861 73.381 1.00 27.45 N ATOM 24 CA PRO A 5 0.156 44.219 72.378 1.00 24.90 C ATOM 25 C PRO A 5 0.236 42.717 72.612 1.00 24.19 C ATOM 26 O PRO A 5 0.172 42.266 73.756 1.00 24.24 O ATOM 27 CB PRO A 5 1.502 44.880 72.599 1.00 27.84 C ATOM 28 CG PRO A 5 1.489 45.247 74.086 1.00 27.48 C ATOM 29 CD PRO A 5 0.068 45.633 74.376 1.00 26.44 C ATOM 0 HA PRO A 5 -0.172 44.323 71.471 1.00 24.90 H new ATOM 0 HB2 PRO A 5 2.233 44.279 72.387 1.00 27.84 H new ATOM 0 HB3 PRO A 5 1.609 45.665 72.039 1.00 27.84 H new ATOM 0 HG2 PRO A 5 1.769 44.498 74.635 1.00 27.48 H new ATOM 0 HG3 PRO A 5 2.097 45.979 74.273 1.00 27.48 H new ATOM 0 HD2 PRO A 5 -0.187 45.403 75.283 1.00 26.44 H new ATOM 0 HD3 PRO A 5 -0.072 46.588 74.275 1.00 26.44 H new ATOM 30 N VAL A 6 0.371 41.946 71.535 1.00 20.86 N ATOM 31 CA VAL A 6 0.470 40.486 71.625 1.00 18.76 C ATOM 32 C VAL A 6 1.662 40.109 70.752 1.00 19.29 C ATOM 33 O VAL A 6 1.761 40.572 69.620 1.00 22.17 O ATOM 34 CB VAL A 6 -0.823 39.797 71.082 1.00 18.27 C ATOM 35 CG1 VAL A 6 -0.674 38.280 71.109 1.00 17.36 C ATOM 36 CG2 VAL A 6 -2.030 40.212 71.919 1.00 19.01 C ATOM 0 H VAL A 6 0.408 42.252 70.732 1.00 20.86 H new ATOM 0 HA VAL A 6 0.576 40.198 72.545 1.00 18.76 H new ATOM 0 HB VAL A 6 -0.958 40.080 70.164 1.00 18.27 H new ATOM 0 HG11 VAL A 6 -1.484 37.869 70.769 1.00 17.36 H new ATOM 0 HG12 VAL A 6 0.078 38.019 70.555 1.00 17.36 H new ATOM 0 HG13 VAL A 6 -0.521 37.986 72.021 1.00 17.36 H new ATOM 0 HG21 VAL A 6 -2.827 39.780 71.574 1.00 19.01 H new ATOM 0 HG22 VAL A 6 -1.891 39.946 72.841 1.00 19.01 H new ATOM 0 HG23 VAL A 6 -2.140 41.175 71.874 1.00 19.01 H new ATOM 37 N PRO A 7 2.604 39.300 71.269 1.00 17.33 N ATOM 38 CA PRO A 7 2.661 38.695 72.608 1.00 16.60 C ATOM 39 C PRO A 7 2.606 39.719 73.736 1.00 17.35 C ATOM 40 O PRO A 7 3.231 40.776 73.680 1.00 18.05 O ATOM 41 CB PRO A 7 3.989 37.935 72.617 1.00 14.75 C ATOM 42 CG PRO A 7 4.306 37.713 71.181 1.00 16.89 C ATOM 43 CD PRO A 7 3.774 38.931 70.462 1.00 17.02 C ATOM 0 HA PRO A 7 1.892 38.126 72.768 1.00 16.60 H new ATOM 0 HB2 PRO A 7 4.685 38.447 73.057 1.00 14.75 H new ATOM 0 HB3 PRO A 7 3.911 37.094 73.095 1.00 14.75 H new ATOM 0 HG2 PRO A 7 5.261 37.616 71.045 1.00 16.89 H new ATOM 0 HG3 PRO A 7 3.888 36.902 70.852 1.00 16.89 H new ATOM 0 HD2 PRO A 7 4.429 39.645 70.431 1.00 17.02 H new ATOM 0 HD3 PRO A 7 3.530 38.730 69.545 1.00 17.02 H new ATOM 44 N TYR A 8 1.843 39.403 74.761 1.00 15.90 N ATOM 45 CA TYR A 8 1.732 40.288 75.903 1.00 15.58 C ATOM 46 C TYR A 8 2.492 39.654 77.061 1.00 14.65 C ATOM 47 O TYR A 8 2.322 38.474 77.340 1.00 14.62 O ATOM 48 CB TYR A 8 0.269 40.467 76.285 1.00 15.79 C ATOM 49 CG TYR A 8 0.121 41.419 77.421 1.00 18.79 C ATOM 50 CD1 TYR A 8 0.294 42.789 77.224 1.00 19.95 C ATOM 51 CD2 TYR A 8 -0.091 40.951 78.716 1.00 19.84 C ATOM 52 CE1 TYR A 8 0.273 43.679 78.303 1.00 25.77 C ATOM 53 CE2 TYR A 8 -0.117 41.824 79.809 1.00 21.89 C ATOM 54 CZ TYR A 8 0.071 43.185 79.600 1.00 26.15 C ATOM 55 OH TYR A 8 0.101 44.041 80.685 1.00 27.40 O ATOM 0 H TYR A 8 1.380 38.681 74.818 1.00 15.90 H new ATOM 0 HA TYR A 8 2.101 41.159 75.689 1.00 15.58 H new ATOM 0 HB2 TYR A 8 -0.230 40.793 75.520 1.00 15.79 H new ATOM 0 HB3 TYR A 8 -0.112 39.609 76.528 1.00 15.79 H new ATOM 0 HD1 TYR A 8 0.425 43.115 76.363 1.00 19.95 H new ATOM 0 HD2 TYR A 8 -0.218 40.040 78.857 1.00 19.84 H new ATOM 0 HE1 TYR A 8 0.392 44.590 78.162 1.00 25.77 H new ATOM 0 HE2 TYR A 8 -0.259 41.496 80.668 1.00 21.89 H new ATOM 0 HH TYR A 8 0.215 43.597 81.389 1.00 27.40 H new ATOM 56 N THR A 9 3.348 40.425 77.720 1.00 14.35 N ATOM 57 CA THR A 9 4.110 39.912 78.860 1.00 14.50 C ATOM 58 C THR A 9 3.939 40.840 80.055 1.00 16.04 C ATOM 59 O THR A 9 4.033 42.062 79.907 1.00 15.24 O ATOM 60 CB THR A 9 5.591 39.856 78.558 1.00 16.59 C ATOM 61 OG1 THR A 9 5.810 38.997 77.442 1.00 19.85 O ATOM 62 CG2 THR A 9 6.348 39.319 79.747 1.00 18.78 C ATOM 0 H THR A 9 3.505 41.248 77.526 1.00 14.35 H new ATOM 0 HA THR A 9 3.776 39.021 79.047 1.00 14.50 H new ATOM 0 HB THR A 9 5.906 40.752 78.359 1.00 16.59 H new ATOM 0 HG1 THR A 9 6.632 38.964 77.270 1.00 19.85 H new ATOM 0 HG21 THR A 9 7.295 39.288 79.541 1.00 18.78 H new ATOM 0 HG22 THR A 9 6.203 39.898 80.512 1.00 18.78 H new ATOM 0 HG23 THR A 9 6.033 38.425 79.954 1.00 18.78 H new ATOM 63 N GLU A 10 3.684 40.276 81.232 1.00 15.04 N ATOM 64 CA GLU A 10 3.541 41.096 82.434 1.00 13.83 C ATOM 65 C GLU A 10 4.169 40.374 83.611 1.00 14.51 C ATOM 66 O GLU A 10 3.930 39.186 83.811 1.00 14.48 O ATOM 67 CB GLU A 10 2.068 41.387 82.748 1.00 15.87 C ATOM 68 CG GLU A 10 1.893 42.383 83.905 1.00 17.91 C ATOM 69 CD GLU A 10 0.465 42.824 84.103 1.00 21.07 C ATOM 70 OE1 GLU A 10 -0.119 43.398 83.170 1.00 21.41 O ATOM 71 OE2 GLU A 10 -0.083 42.608 85.204 1.00 25.02 O ATOM 0 H GLU A 10 3.591 39.430 81.357 1.00 15.04 H new ATOM 0 HA GLU A 10 3.989 41.942 82.276 1.00 13.83 H new ATOM 0 HB2 GLU A 10 1.636 41.740 81.955 1.00 15.87 H new ATOM 0 HB3 GLU A 10 1.619 40.557 82.970 1.00 15.87 H new ATOM 0 HG2 GLU A 10 2.216 41.977 84.725 1.00 17.91 H new ATOM 0 HG3 GLU A 10 2.445 43.163 83.738 1.00 17.91 H new ATOM 72 N ALA A 11 5.003 41.088 84.366 1.00 15.50 N ATOM 73 CA ALA A 11 5.647 40.514 85.548 1.00 14.58 C ATOM 74 C ALA A 11 4.506 40.264 86.533 1.00 15.70 C ATOM 75 O ALA A 11 3.575 41.075 86.616 1.00 15.40 O ATOM 76 CB ALA A 11 6.655 41.508 86.134 1.00 15.94 C ATOM 0 H ALA A 11 5.210 41.908 84.211 1.00 15.50 H new ATOM 0 HA ALA A 11 6.137 39.702 85.345 1.00 14.58 H new ATOM 0 HB1 ALA A 11 7.076 41.119 86.916 1.00 15.94 H new ATOM 0 HB2 ALA A 11 7.332 41.712 85.470 1.00 15.94 H new ATOM 0 HB3 ALA A 11 6.195 42.324 86.387 1.00 15.94 H new ATOM 77 N ALA A 12 4.556 39.156 87.266 1.00 14.29 N ATOM 78 CA ALA A 12 3.481 38.853 88.198 1.00 15.47 C ATOM 79 C ALA A 12 3.945 37.980 89.363 1.00 17.65 C ATOM 80 O ALA A 12 5.036 37.406 89.325 1.00 19.16 O ATOM 81 CB ALA A 12 2.332 38.161 87.459 1.00 15.76 C ATOM 0 H ALA A 12 5.192 38.577 87.239 1.00 14.29 H new ATOM 0 HA ALA A 12 3.179 39.696 88.571 1.00 15.47 H new ATOM 0 HB1 ALA A 12 1.618 37.961 88.085 1.00 15.76 H new ATOM 0 HB2 ALA A 12 1.996 38.746 86.762 1.00 15.76 H new ATOM 0 HB3 ALA A 12 2.653 37.336 87.061 1.00 15.76 H new ATOM 82 N SER A 13 3.103 37.914 90.393 1.00 17.41 N ATOM 83 CA SER A 13 3.333 37.124 91.604 1.00 18.04 C ATOM 84 C SER A 13 2.012 36.465 91.918 1.00 17.57 C ATOM 85 O SER A 13 0.979 37.123 91.936 1.00 20.18 O ATOM 86 CB SER A 13 3.699 38.014 92.771 1.00 18.14 C ATOM 87 OG SER A 13 5.059 38.357 92.680 1.00 25.80 O ATOM 0 H SER A 13 2.357 38.342 90.407 1.00 17.41 H new ATOM 0 HA SER A 13 4.056 36.492 91.465 1.00 18.04 H new ATOM 0 HB2 SER A 13 3.151 38.814 92.766 1.00 18.14 H new ATOM 0 HB3 SER A 13 3.525 37.556 93.608 1.00 18.14 H new ATOM 0 HG SER A 13 5.267 38.853 93.325 1.00 25.80 H new ATOM 88 N LEU A 14 2.043 35.170 92.169 1.00 17.22 N ATOM 89 CA LEU A 14 0.824 34.433 92.448 1.00 18.92 C ATOM 90 C LEU A 14 0.937 33.622 93.712 1.00 19.89 C ATOM 91 O LEU A 14 2.015 33.129 94.056 1.00 19.45 O ATOM 92 CB LEU A 14 0.517 33.446 91.318 1.00 19.54 C ATOM 93 CG LEU A 14 0.416 33.908 89.868 1.00 20.68 C ATOM 94 CD1 LEU A 14 0.242 32.664 88.983 1.00 21.53 C ATOM 95 CD2 LEU A 14 -0.756 34.867 89.696 1.00 17.73 C ATOM 0 H LEU A 14 2.761 34.696 92.183 1.00 17.22 H new ATOM 0 HA LEU A 14 0.122 35.096 92.537 1.00 18.92 H new ATOM 0 HB2 LEU A 14 1.201 32.759 91.349 1.00 19.54 H new ATOM 0 HB3 LEU A 14 -0.325 33.018 91.538 1.00 19.54 H new ATOM 0 HG LEU A 14 1.220 34.384 89.610 1.00 20.68 H new ATOM 0 HD11 LEU A 14 0.175 32.934 88.054 1.00 21.53 H new ATOM 0 HD12 LEU A 14 1.007 32.078 89.095 1.00 21.53 H new ATOM 0 HD13 LEU A 14 -0.566 32.193 89.241 1.00 21.53 H new ATOM 0 HD21 LEU A 14 -0.808 35.152 88.770 1.00 17.73 H new ATOM 0 HD22 LEU A 14 -1.580 34.419 89.942 1.00 17.73 H new ATOM 0 HD23 LEU A 14 -0.627 35.641 90.266 1.00 17.73 H new ATOM 96 N SER A 15 -0.197 33.464 94.376 1.00 19.85 N ATOM 97 CA SER A 15 -0.283 32.662 95.588 1.00 22.04 C ATOM 98 C SER A 15 -1.718 32.190 95.657 1.00 21.52 C ATOM 99 O SER A 15 -2.538 32.602 94.827 1.00 18.68 O ATOM 100 CB SER A 15 0.021 33.487 96.830 1.00 22.66 C ATOM 101 OG SER A 15 0.274 32.588 97.899 1.00 31.23 O ATOM 0 H SER A 15 -0.942 33.820 94.137 1.00 19.85 H new ATOM 0 HA SER A 15 0.359 31.935 95.561 1.00 22.04 H new ATOM 0 HB2 SER A 15 0.790 34.059 96.678 1.00 22.66 H new ATOM 0 HB3 SER A 15 -0.726 34.067 97.044 1.00 22.66 H new ATOM 0 HG SER A 15 0.853 32.027 97.663 1.00 31.23 H new ATOM 102 N THR A 16 -2.029 31.338 96.635 1.00 21.50 N ATOM 103 CA THR A 16 -3.401 30.853 96.786 1.00 21.33 C ATOM 104 C THR A 16 -4.370 32.019 96.907 1.00 20.90 C ATOM 105 O THR A 16 -4.153 32.950 97.680 1.00 21.87 O ATOM 106 CB THR A 16 -3.544 29.946 98.003 1.00 21.33 C ATOM 107 OG1 THR A 16 -2.632 28.856 97.856 1.00 23.54 O ATOM 108 CG2 THR A 16 -4.967 29.389 98.098 1.00 20.10 C ATOM 0 H THR A 16 -1.470 31.033 97.213 1.00 21.50 H new ATOM 0 HA THR A 16 -3.613 30.337 95.992 1.00 21.33 H new ATOM 0 HB THR A 16 -3.355 30.455 98.807 1.00 21.33 H new ATOM 0 HG1 THR A 16 -2.696 28.345 98.520 1.00 23.54 H new ATOM 0 HG21 THR A 16 -5.039 28.815 98.877 1.00 20.10 H new ATOM 0 HG22 THR A 16 -5.597 30.122 98.178 1.00 20.10 H new ATOM 0 HG23 THR A 16 -5.168 28.876 97.300 1.00 20.10 H new ATOM 109 N GLY A 17 -5.438 31.964 96.118 1.00 20.45 N ATOM 110 CA GLY A 17 -6.413 33.033 96.115 1.00 21.08 C ATOM 111 C GLY A 17 -6.201 34.023 94.974 1.00 20.73 C ATOM 112 O GLY A 17 -7.032 34.899 94.758 1.00 23.08 O ATOM 0 H GLY A 17 -5.612 31.316 95.580 1.00 20.45 H new ATOM 0 HA2 GLY A 17 -7.303 32.653 96.047 1.00 21.08 H new ATOM 0 HA3 GLY A 17 -6.370 33.506 96.961 1.00 21.08 H new ATOM 113 N SER A 18 -5.096 33.899 94.244 1.00 18.50 N ATOM 114 CA SER A 18 -4.819 34.806 93.137 1.00 16.26 C ATOM 115 C SER A 18 -5.684 34.434 91.941 1.00 16.15 C ATOM 116 O SER A 18 -6.004 33.264 91.751 1.00 15.08 O ATOM 117 CB SER A 18 -3.356 34.693 92.716 1.00 14.82 C ATOM 118 OG SER A 18 -2.493 35.381 93.596 1.00 15.71 O ATOM 0 H SER A 18 -4.496 33.297 94.374 1.00 18.50 H new ATOM 0 HA SER A 18 -5.012 35.711 93.428 1.00 16.26 H new ATOM 0 HB2 SER A 18 -3.102 33.757 92.682 1.00 14.82 H new ATOM 0 HB3 SER A 18 -3.251 35.048 91.819 1.00 14.82 H new ATOM 0 HG SER A 18 -2.521 36.204 93.430 1.00 15.71 H new ATOM 119 N THR A 19 -6.048 35.430 91.133 1.00 15.22 N ATOM 120 CA THR A 19 -6.831 35.173 89.926 1.00 16.49 C ATOM 121 C THR A 19 -6.237 35.957 88.758 1.00 16.37 C ATOM 122 O THR A 19 -5.895 37.124 88.916 1.00 16.81 O ATOM 123 CB THR A 19 -8.310 35.607 90.077 1.00 18.97 C ATOM 124 OG1 THR A 19 -8.939 34.813 91.085 1.00 22.20 O ATOM 125 CG2 THR A 19 -9.076 35.382 88.768 1.00 21.83 C ATOM 0 H THR A 19 -5.853 36.257 91.265 1.00 15.22 H new ATOM 0 HA THR A 19 -6.801 34.216 89.770 1.00 16.49 H new ATOM 0 HB THR A 19 -8.325 36.548 90.312 1.00 18.97 H new ATOM 0 HG1 THR A 19 -9.741 35.049 91.168 1.00 22.20 H new ATOM 0 HG21 THR A 19 -9.999 35.659 88.881 1.00 21.83 H new ATOM 0 HG22 THR A 19 -8.667 35.903 88.060 1.00 21.83 H new ATOM 0 HG23 THR A 19 -9.048 34.441 88.534 1.00 21.83 H new ATOM 126 N VAL A 20 -6.094 35.306 87.606 1.00 14.18 N ATOM 127 CA VAL A 20 -5.601 35.967 86.400 1.00 14.13 C ATOM 128 C VAL A 20 -6.786 36.005 85.438 1.00 13.68 C ATOM 129 O VAL A 20 -7.356 34.966 85.094 1.00 14.40 O ATOM 130 CB VAL A 20 -4.444 35.199 85.749 1.00 13.08 C ATOM 131 CG1 VAL A 20 -3.909 35.983 84.568 1.00 15.18 C ATOM 132 CG2 VAL A 20 -3.334 34.979 86.767 1.00 14.63 C ATOM 0 H VAL A 20 -6.279 34.473 87.502 1.00 14.18 H new ATOM 0 HA VAL A 20 -5.260 36.849 86.618 1.00 14.13 H new ATOM 0 HB VAL A 20 -4.767 34.338 85.440 1.00 13.08 H new ATOM 0 HG11 VAL A 20 -3.178 35.494 84.159 1.00 15.18 H new ATOM 0 HG12 VAL A 20 -4.616 36.110 83.917 1.00 15.18 H new ATOM 0 HG13 VAL A 20 -3.590 36.847 84.871 1.00 15.18 H new ATOM 0 HG21 VAL A 20 -2.605 34.493 86.351 1.00 14.63 H new ATOM 0 HG22 VAL A 20 -3.011 35.837 87.084 1.00 14.63 H new ATOM 0 HG23 VAL A 20 -3.678 34.467 87.515 1.00 14.63 H new ATOM 133 N THR A 21 -7.171 37.206 85.026 1.00 13.03 N ATOM 134 CA THR A 21 -8.296 37.348 84.118 1.00 15.02 C ATOM 135 C THR A 21 -7.811 37.881 82.782 1.00 16.01 C ATOM 136 O THR A 21 -7.055 38.850 82.731 1.00 15.56 O ATOM 137 CB THR A 21 -9.345 38.313 84.681 1.00 17.54 C ATOM 138 OG1 THR A 21 -9.759 37.849 85.973 1.00 19.07 O ATOM 139 CG2 THR A 21 -10.568 38.385 83.749 1.00 17.86 C ATOM 0 H THR A 21 -6.797 37.945 85.259 1.00 13.03 H new ATOM 0 HA THR A 21 -8.701 36.474 84.007 1.00 15.02 H new ATOM 0 HB THR A 21 -8.955 39.199 84.751 1.00 17.54 H new ATOM 0 HG1 THR A 21 -9.242 38.155 86.560 1.00 19.07 H new ATOM 0 HG21 THR A 21 -11.221 38.999 84.119 1.00 17.86 H new ATOM 0 HG22 THR A 21 -10.290 38.698 82.874 1.00 17.86 H new ATOM 0 HG23 THR A 21 -10.964 37.503 83.666 1.00 17.86 H new ATOM 140 N ILE A 22 -8.270 37.249 81.708 1.00 15.75 N ATOM 141 CA ILE A 22 -7.893 37.629 80.356 1.00 17.18 C ATOM 142 C ILE A 22 -9.156 37.776 79.518 1.00 17.56 C ATOM 143 O ILE A 22 -10.029 36.903 79.557 1.00 17.85 O ATOM 144 CB ILE A 22 -7.007 36.525 79.725 1.00 18.43 C ATOM 145 CG1 ILE A 22 -5.745 36.324 80.569 1.00 19.40 C ATOM 146 CG2 ILE A 22 -6.604 36.898 78.322 1.00 21.37 C ATOM 147 CD1 ILE A 22 -5.001 35.037 80.247 1.00 20.13 C ATOM 0 H ILE A 22 -8.813 36.583 81.745 1.00 15.75 H new ATOM 0 HA ILE A 22 -7.401 38.464 80.382 1.00 17.18 H new ATOM 0 HB ILE A 22 -7.522 35.704 79.698 1.00 18.43 H new ATOM 0 HG12 ILE A 22 -5.149 37.077 80.432 1.00 19.40 H new ATOM 0 HG13 ILE A 22 -5.989 36.322 81.508 1.00 19.40 H new ATOM 0 HG21 ILE A 22 -6.051 36.195 77.946 1.00 21.37 H new ATOM 0 HG22 ILE A 22 -7.398 37.011 77.776 1.00 21.37 H new ATOM 0 HG23 ILE A 22 -6.103 37.728 78.339 1.00 21.37 H new ATOM 0 HD11 ILE A 22 -4.215 34.967 80.811 1.00 20.13 H new ATOM 0 HD12 ILE A 22 -5.583 34.278 80.408 1.00 20.13 H new ATOM 0 HD13 ILE A 22 -4.730 35.044 79.316 1.00 20.13 H new ATOM 148 N LYS A 23 -9.272 38.886 78.796 1.00 16.20 N ATOM 149 CA LYS A 23 -10.401 39.099 77.892 1.00 18.58 C ATOM 150 C LYS A 23 -9.811 39.293 76.484 1.00 17.53 C ATOM 151 O LYS A 23 -8.931 40.131 76.283 1.00 16.80 O ATOM 152 CB LYS A 23 -11.201 40.331 78.300 1.00 21.46 C ATOM 153 CG LYS A 23 -12.011 40.130 79.573 1.00 31.45 C ATOM 154 CD LYS A 23 -13.359 40.846 79.492 1.00 38.46 C ATOM 155 CE LYS A 23 -13.599 41.740 80.725 1.00 42.51 C ATOM 156 NZ LYS A 23 -14.800 42.630 80.572 1.00 44.43 N ATOM 0 H LYS A 23 -8.705 39.532 78.815 1.00 16.20 H new ATOM 0 HA LYS A 23 -11.007 38.342 77.920 1.00 18.58 H new ATOM 0 HB2 LYS A 23 -10.593 41.076 78.425 1.00 21.46 H new ATOM 0 HB3 LYS A 23 -11.801 40.573 77.577 1.00 21.46 H new ATOM 0 HG2 LYS A 23 -12.154 39.182 79.722 1.00 31.45 H new ATOM 0 HG3 LYS A 23 -11.510 40.464 80.334 1.00 31.45 H new ATOM 0 HD2 LYS A 23 -13.392 41.387 78.687 1.00 38.46 H new ATOM 0 HD3 LYS A 23 -14.071 40.191 79.422 1.00 38.46 H new ATOM 0 HE2 LYS A 23 -13.714 41.180 81.508 1.00 42.51 H new ATOM 0 HE3 LYS A 23 -12.813 42.287 80.881 1.00 42.51 H new ATOM 0 HZ1 LYS A 23 -14.898 43.125 81.305 1.00 44.43 H new ATOM 0 HZ2 LYS A 23 -14.688 43.162 79.868 1.00 44.43 H new ATOM 0 HZ3 LYS A 23 -15.527 42.130 80.453 1.00 44.43 H new ATOM 157 N GLY A 24 -10.266 38.506 75.518 1.00 17.13 N ATOM 158 CA GLY A 24 -9.728 38.645 74.177 1.00 19.03 C ATOM 159 C GLY A 24 -10.634 38.060 73.124 1.00 20.55 C ATOM 160 O GLY A 24 -11.781 37.706 73.408 1.00 21.49 O ATOM 0 H GLY A 24 -10.870 37.901 75.615 1.00 17.13 H new ATOM 0 HA2 GLY A 24 -9.582 39.585 73.987 1.00 19.03 H new ATOM 0 HA3 GLY A 24 -8.863 38.209 74.133 1.00 19.03 H new ATOM 161 N ARG A 25 -10.115 37.925 71.910 1.00 20.11 N ATOM 162 CA ARG A 25 -10.913 37.395 70.818 1.00 19.77 C ATOM 163 C ARG A 25 -10.012 36.744 69.775 1.00 16.95 C ATOM 164 O ARG A 25 -8.938 37.245 69.521 1.00 17.03 O ATOM 165 CB ARG A 25 -11.678 38.557 70.195 1.00 21.92 C ATOM 166 CG ARG A 25 -12.446 38.193 68.983 1.00 31.18 C ATOM 167 CD ARG A 25 -13.043 39.422 68.343 1.00 39.78 C ATOM 168 NE ARG A 25 -14.498 39.313 68.274 1.00 47.93 N ATOM 169 CZ ARG A 25 -15.335 40.037 69.016 1.00 51.90 C ATOM 170 NH1 ARG A 25 -14.859 40.931 69.887 1.00 53.08 N ATOM 171 NH2 ARG A 25 -16.650 39.865 68.894 1.00 54.18 N ATOM 0 H ARG A 25 -9.308 38.133 71.700 1.00 20.11 H new ATOM 0 HA ARG A 25 -11.528 36.721 71.147 1.00 19.77 H new ATOM 0 HB2 ARG A 25 -12.288 38.922 70.855 1.00 21.92 H new ATOM 0 HB3 ARG A 25 -11.050 39.261 69.969 1.00 21.92 H new ATOM 0 HG2 ARG A 25 -11.866 37.742 68.350 1.00 31.18 H new ATOM 0 HG3 ARG A 25 -13.151 37.569 69.216 1.00 31.18 H new ATOM 0 HD2 ARG A 25 -12.797 40.210 68.853 1.00 39.78 H new ATOM 0 HD3 ARG A 25 -12.680 39.537 67.451 1.00 39.78 H new ATOM 0 HE ARG A 25 -14.835 38.747 67.721 1.00 47.93 H new ATOM 0 HH11 ARG A 25 -14.010 41.041 69.970 1.00 53.08 H new ATOM 0 HH12 ARG A 25 -15.401 41.397 70.365 1.00 53.08 H new ATOM 0 HH21 ARG A 25 -16.958 39.287 68.337 1.00 54.18 H new ATOM 0 HH22 ARG A 25 -17.191 40.332 69.373 1.00 54.18 H new ATOM 172 N PRO A 26 -10.423 35.599 69.190 1.00 17.60 N ATOM 173 CA PRO A 26 -9.618 34.910 68.159 1.00 16.92 C ATOM 174 C PRO A 26 -9.485 35.843 66.954 1.00 16.22 C ATOM 175 O PRO A 26 -10.414 36.586 66.663 1.00 15.78 O ATOM 176 CB PRO A 26 -10.444 33.673 67.805 1.00 17.60 C ATOM 177 CG PRO A 26 -11.405 33.505 68.938 1.00 19.62 C ATOM 178 CD PRO A 26 -11.662 34.868 69.499 1.00 17.83 C ATOM 0 HA PRO A 26 -8.723 34.671 68.448 1.00 16.92 H new ATOM 0 HB2 PRO A 26 -10.912 33.793 66.964 1.00 17.60 H new ATOM 0 HB3 PRO A 26 -9.879 32.891 67.706 1.00 17.60 H new ATOM 0 HG2 PRO A 26 -12.231 33.099 68.630 1.00 19.62 H new ATOM 0 HG3 PRO A 26 -11.036 32.918 69.617 1.00 19.62 H new ATOM 0 HD2 PRO A 26 -12.436 35.284 69.088 1.00 17.83 H new ATOM 0 HD3 PRO A 26 -11.831 34.836 70.454 1.00 17.83 H new ATOM 179 N LEU A 27 -8.359 35.807 66.249 1.00 15.44 N ATOM 180 CA LEU A 27 -8.176 36.707 65.100 1.00 17.78 C ATOM 181 C LEU A 27 -8.807 36.201 63.788 1.00 18.52 C ATOM 182 O LEU A 27 -9.072 37.001 62.887 1.00 18.61 O ATOM 183 CB LEU A 27 -6.685 36.984 64.871 1.00 16.24 C ATOM 184 CG LEU A 27 -5.971 37.851 65.903 1.00 13.84 C ATOM 185 CD1 LEU A 27 -4.494 37.860 65.628 1.00 15.41 C ATOM 186 CD2 LEU A 27 -6.524 39.247 65.857 1.00 15.98 C ATOM 0 H LEU A 27 -7.697 35.282 66.410 1.00 15.44 H new ATOM 0 HA LEU A 27 -8.646 37.522 65.335 1.00 17.78 H new ATOM 0 HB2 LEU A 27 -6.225 36.132 64.824 1.00 16.24 H new ATOM 0 HB3 LEU A 27 -6.588 37.407 64.004 1.00 16.24 H new ATOM 0 HG LEU A 27 -6.117 37.486 66.790 1.00 13.84 H new ATOM 0 HD11 LEU A 27 -4.045 38.413 66.287 1.00 15.41 H new ATOM 0 HD12 LEU A 27 -4.150 36.954 65.678 1.00 15.41 H new ATOM 0 HD13 LEU A 27 -4.332 38.219 64.741 1.00 15.41 H new ATOM 0 HD21 LEU A 27 -6.069 39.797 66.514 1.00 15.98 H new ATOM 0 HD22 LEU A 27 -6.387 39.620 64.972 1.00 15.98 H new ATOM 0 HD23 LEU A 27 -7.473 39.226 66.055 1.00 15.98 H new ATOM 187 N VAL A 28 -9.026 34.886 63.685 1.00 18.28 N ATOM 188 CA VAL A 28 -9.631 34.278 62.499 1.00 19.20 C ATOM 189 C VAL A 28 -10.713 33.255 62.856 1.00 22.05 C ATOM 190 O VAL A 28 -10.850 32.874 64.021 1.00 21.83 O ATOM 191 CB VAL A 28 -8.557 33.597 61.622 1.00 18.57 C ATOM 192 CG1 VAL A 28 -7.464 34.594 61.294 1.00 18.77 C ATOM 193 CG2 VAL A 28 -7.966 32.409 62.331 1.00 18.79 C ATOM 0 H VAL A 28 -8.827 34.322 64.303 1.00 18.28 H new ATOM 0 HA VAL A 28 -10.049 35.000 62.004 1.00 19.20 H new ATOM 0 HB VAL A 28 -8.974 33.289 60.802 1.00 18.57 H new ATOM 0 HG11 VAL A 28 -6.790 34.166 60.743 1.00 18.77 H new ATOM 0 HG12 VAL A 28 -7.845 35.345 60.813 1.00 18.77 H new ATOM 0 HG13 VAL A 28 -7.057 34.910 62.116 1.00 18.77 H new ATOM 0 HG21 VAL A 28 -7.295 31.995 61.766 1.00 18.79 H new ATOM 0 HG22 VAL A 28 -7.555 32.698 63.161 1.00 18.79 H new ATOM 0 HG23 VAL A 28 -8.666 31.766 62.524 1.00 18.79 H new ATOM 194 N CYS A 29 -11.473 32.815 61.852 1.00 23.39 N ATOM 195 CA CYS A 29 -12.560 31.841 62.019 1.00 27.73 C ATOM 196 C CYS A 29 -12.010 30.545 62.596 1.00 23.77 C ATOM 197 O CYS A 29 -10.872 30.183 62.301 1.00 22.18 O ATOM 198 CB CYS A 29 -13.201 31.513 60.655 1.00 33.59 C ATOM 199 SG CYS A 29 -14.352 32.736 59.972 1.00 49.49 S ATOM 0 H CYS A 29 -11.371 33.078 61.039 1.00 23.39 H new ATOM 0 HA CYS A 29 -13.221 32.228 62.615 1.00 27.73 H new ATOM 0 HB2 CYS A 29 -12.488 31.378 60.011 1.00 33.59 H new ATOM 0 HB3 CYS A 29 -13.672 30.669 60.738 1.00 33.59 H new ATOM 0 HG CYS A 29 -14.767 32.349 58.915 1.00 49.49 H new ATOM 200 N PHE A 30 -12.819 29.824 63.377 1.00 21.03 N ATOM 201 CA PHE A 30 -12.350 28.562 63.958 1.00 20.33 C ATOM 202 C PHE A 30 -11.953 27.578 62.861 1.00 20.84 C ATOM 203 O PHE A 30 -11.122 26.692 63.068 1.00 19.07 O ATOM 204 CB PHE A 30 -13.428 27.915 64.848 1.00 23.31 C ATOM 205 CG PHE A 30 -13.466 28.443 66.277 1.00 22.44 C ATOM 206 CD1 PHE A 30 -14.124 27.724 67.275 1.00 25.11 C ATOM 207 CD2 PHE A 30 -12.887 29.670 66.607 1.00 21.85 C ATOM 208 CE1 PHE A 30 -14.209 28.228 68.576 1.00 24.55 C ATOM 209 CE2 PHE A 30 -12.965 30.177 67.892 1.00 21.64 C ATOM 210 CZ PHE A 30 -13.627 29.458 68.879 1.00 23.80 C ATOM 0 H PHE A 30 -13.626 30.042 63.580 1.00 21.03 H new ATOM 0 HA PHE A 30 -11.576 28.770 64.505 1.00 20.33 H new ATOM 0 HB2 PHE A 30 -14.296 28.056 64.440 1.00 23.31 H new ATOM 0 HB3 PHE A 30 -13.279 26.957 64.873 1.00 23.31 H new ATOM 0 HD1 PHE A 30 -14.510 26.902 67.073 1.00 25.11 H new ATOM 0 HD2 PHE A 30 -12.441 30.155 65.951 1.00 21.85 H new ATOM 0 HE1 PHE A 30 -14.652 27.745 69.236 1.00 24.55 H new ATOM 0 HE2 PHE A 30 -12.575 30.997 68.094 1.00 21.64 H new ATOM 0 HZ PHE A 30 -13.682 29.798 69.743 1.00 23.80 H new ATOM 211 N LEU A 31 -12.552 27.735 61.685 1.00 20.22 N ATOM 212 CA LEU A 31 -12.258 26.860 60.554 1.00 20.48 C ATOM 213 C LEU A 31 -10.785 26.927 60.134 1.00 18.40 C ATOM 214 O LEU A 31 -10.243 25.975 59.585 1.00 20.49 O ATOM 215 CB LEU A 31 -13.176 27.240 59.381 1.00 23.94 C ATOM 216 CG LEU A 31 -12.882 26.762 57.960 1.00 27.63 C ATOM 217 CD1 LEU A 31 -13.397 25.334 57.745 1.00 29.75 C ATOM 218 CD2 LEU A 31 -13.556 27.723 56.992 1.00 28.46 C ATOM 0 H LEU A 31 -13.135 28.345 61.520 1.00 20.22 H new ATOM 0 HA LEU A 31 -12.425 25.943 60.824 1.00 20.48 H new ATOM 0 HB2 LEU A 31 -14.067 26.929 59.606 1.00 23.94 H new ATOM 0 HB3 LEU A 31 -13.213 28.209 59.352 1.00 23.94 H new ATOM 0 HG LEU A 31 -11.924 26.749 57.808 1.00 27.63 H new ATOM 0 HD11 LEU A 31 -13.200 25.052 56.838 1.00 29.75 H new ATOM 0 HD12 LEU A 31 -12.961 24.735 58.371 1.00 29.75 H new ATOM 0 HD13 LEU A 31 -14.356 25.310 57.889 1.00 29.75 H new ATOM 0 HD21 LEU A 31 -13.383 27.439 56.081 1.00 28.46 H new ATOM 0 HD22 LEU A 31 -14.513 27.727 57.153 1.00 28.46 H new ATOM 0 HD23 LEU A 31 -13.203 28.617 57.124 1.00 28.46 H new ATOM 219 N ASN A 32 -10.128 28.048 60.398 1.00 18.41 N ATOM 220 CA ASN A 32 -8.727 28.193 60.029 1.00 16.64 C ATOM 221 C ASN A 32 -7.802 27.860 61.187 1.00 17.80 C ATOM 222 O ASN A 32 -6.599 28.077 61.113 1.00 15.96 O ATOM 223 CB ASN A 32 -8.474 29.601 59.521 1.00 19.89 C ATOM 224 CG ASN A 32 -9.120 29.828 58.171 1.00 23.34 C ATOM 225 OD1 ASN A 32 -9.207 28.901 57.362 1.00 22.85 O ATOM 226 ND2 ASN A 32 -9.592 31.046 57.926 1.00 24.20 N ATOM 0 H ASN A 32 -10.472 28.733 60.788 1.00 18.41 H new ATOM 0 HA ASN A 32 -8.533 27.560 59.320 1.00 16.64 H new ATOM 0 HB2 ASN A 32 -8.821 30.244 60.159 1.00 19.89 H new ATOM 0 HB3 ASN A 32 -7.519 29.755 59.454 1.00 19.89 H new ATOM 0 HD21 ASN A 32 -9.978 31.215 57.176 1.00 24.20 H new ATOM 0 HD22 ASN A 32 -9.511 31.665 58.517 1.00 24.20 H new ATOM 227 N GLU A 33 -8.397 27.353 62.263 1.00 17.17 N ATOM 228 CA GLU A 33 -7.670 26.911 63.435 1.00 18.05 C ATOM 229 C GLU A 33 -6.703 27.849 64.121 1.00 14.74 C ATOM 230 O GLU A 33 -5.503 27.597 64.132 1.00 16.03 O ATOM 231 CB GLU A 33 -6.907 25.637 63.102 1.00 22.36 C ATOM 232 CG GLU A 33 -7.773 24.572 62.474 1.00 33.20 C ATOM 233 CD GLU A 33 -7.285 23.184 62.796 1.00 38.59 C ATOM 234 OE1 GLU A 33 -6.826 22.966 63.950 1.00 44.81 O ATOM 235 OE2 GLU A 33 -7.360 22.321 61.896 1.00 41.37 O ATOM 0 H GLU A 33 -9.249 27.257 62.328 1.00 17.17 H new ATOM 0 HA GLU A 33 -8.388 26.812 64.080 1.00 18.05 H new ATOM 0 HB2 GLU A 33 -6.179 25.852 62.498 1.00 22.36 H new ATOM 0 HB3 GLU A 33 -6.508 25.285 63.913 1.00 22.36 H new ATOM 0 HG2 GLU A 33 -8.686 24.673 62.786 1.00 33.20 H new ATOM 0 HG3 GLU A 33 -7.787 24.694 61.512 1.00 33.20 H new ATOM 236 N PRO A 34 -7.207 28.925 64.723 1.00 14.28 N ATOM 237 CA PRO A 34 -6.310 29.853 65.418 1.00 13.95 C ATOM 238 C PRO A 34 -5.927 29.212 66.776 1.00 15.91 C ATOM 239 O PRO A 34 -6.608 28.281 67.250 1.00 13.78 O ATOM 240 CB PRO A 34 -7.167 31.101 65.596 1.00 12.08 C ATOM 241 CG PRO A 34 -8.566 30.563 65.683 1.00 16.47 C ATOM 242 CD PRO A 34 -8.613 29.339 64.799 1.00 14.43 C ATOM 0 HA PRO A 34 -5.482 30.057 64.955 1.00 13.95 H new ATOM 0 HB2 PRO A 34 -6.923 31.590 66.398 1.00 12.08 H new ATOM 0 HB3 PRO A 34 -7.066 31.712 64.849 1.00 12.08 H new ATOM 0 HG2 PRO A 34 -8.792 30.336 66.599 1.00 16.47 H new ATOM 0 HG3 PRO A 34 -9.210 31.226 65.388 1.00 16.47 H new ATOM 0 HD2 PRO A 34 -9.171 28.643 65.180 1.00 14.43 H new ATOM 0 HD3 PRO A 34 -8.974 29.544 63.922 1.00 14.43 H new ATOM 243 N TYR A 35 -4.843 29.686 67.390 1.00 14.11 N ATOM 244 CA TYR A 35 -4.422 29.154 68.690 1.00 16.10 C ATOM 245 C TYR A 35 -4.415 30.287 69.698 1.00 13.91 C ATOM 246 O TYR A 35 -4.470 31.460 69.327 1.00 12.76 O ATOM 247 CB TYR A 35 -2.992 28.610 68.653 1.00 17.49 C ATOM 248 CG TYR A 35 -2.742 27.478 67.708 1.00 27.87 C ATOM 249 CD1 TYR A 35 -1.950 27.668 66.585 1.00 33.31 C ATOM 250 CD2 TYR A 35 -3.282 26.214 67.931 1.00 33.73 C ATOM 251 CE1 TYR A 35 -1.698 26.631 65.689 1.00 40.17 C ATOM 252 CE2 TYR A 35 -3.041 25.156 67.039 1.00 39.80 C ATOM 253 CZ TYR A 35 -2.246 25.378 65.912 1.00 42.06 C ATOM 254 OH TYR A 35 -2.010 24.380 64.976 1.00 46.03 O ATOM 0 H TYR A 35 -4.341 30.309 67.076 1.00 14.11 H new ATOM 0 HA TYR A 35 -5.038 28.441 68.922 1.00 16.10 H new ATOM 0 HB2 TYR A 35 -2.394 29.338 68.422 1.00 17.49 H new ATOM 0 HB3 TYR A 35 -2.753 28.320 69.547 1.00 17.49 H new ATOM 0 HD1 TYR A 35 -1.579 28.506 66.427 1.00 33.31 H new ATOM 0 HD2 TYR A 35 -3.810 26.068 68.682 1.00 33.73 H new ATOM 0 HE1 TYR A 35 -1.163 26.780 64.943 1.00 40.17 H new ATOM 0 HE2 TYR A 35 -3.407 24.316 67.197 1.00 39.80 H new ATOM 0 HH TYR A 35 -2.390 23.672 65.220 1.00 46.03 H new ATOM 255 N LEU A 36 -4.344 29.918 70.975 1.00 13.53 N ATOM 256 CA LEU A 36 -4.232 30.875 72.085 1.00 10.55 C ATOM 257 C LEU A 36 -3.271 30.172 73.029 1.00 11.09 C ATOM 258 O LEU A 36 -3.379 28.957 73.220 1.00 11.23 O ATOM 259 CB LEU A 36 -5.573 31.097 72.794 1.00 11.49 C ATOM 260 CG LEU A 36 -5.480 31.621 74.244 1.00 10.63 C ATOM 261 CD1 LEU A 36 -4.813 32.989 74.274 1.00 12.12 C ATOM 262 CD2 LEU A 36 -6.865 31.709 74.848 1.00 13.02 C ATOM 0 H LEU A 36 -4.359 29.096 71.228 1.00 13.53 H new ATOM 0 HA LEU A 36 -3.944 31.752 71.788 1.00 10.55 H new ATOM 0 HB2 LEU A 36 -6.097 31.725 72.273 1.00 11.49 H new ATOM 0 HB3 LEU A 36 -6.060 30.258 72.800 1.00 11.49 H new ATOM 0 HG LEU A 36 -4.943 31.003 74.764 1.00 10.63 H new ATOM 0 HD11 LEU A 36 -4.762 33.304 75.190 1.00 12.12 H new ATOM 0 HD12 LEU A 36 -3.918 32.921 73.905 1.00 12.12 H new ATOM 0 HD13 LEU A 36 -5.333 33.614 73.746 1.00 12.12 H new ATOM 0 HD21 LEU A 36 -6.801 32.038 75.758 1.00 13.02 H new ATOM 0 HD22 LEU A 36 -7.409 32.316 74.322 1.00 13.02 H new ATOM 0 HD23 LEU A 36 -7.273 30.829 74.851 1.00 13.02 H new ATOM 263 N GLN A 37 -2.310 30.895 73.596 1.00 10.25 N ATOM 264 CA GLN A 37 -1.404 30.249 74.535 1.00 9.36 C ATOM 265 C GLN A 37 -1.133 31.166 75.714 1.00 11.17 C ATOM 266 O GLN A 37 -0.922 32.361 75.528 1.00 11.26 O ATOM 267 CB GLN A 37 -0.087 29.864 73.849 1.00 9.07 C ATOM 268 CG GLN A 37 0.826 29.050 74.732 1.00 10.74 C ATOM 269 CD GLN A 37 1.892 28.299 73.971 1.00 12.39 C ATOM 270 OE1 GLN A 37 1.659 27.837 72.863 1.00 14.29 O ATOM 271 NE2 GLN A 37 3.073 28.169 74.564 1.00 13.28 N ATOM 0 H GLN A 37 -2.169 31.732 73.457 1.00 10.25 H new ATOM 0 HA GLN A 37 -1.827 29.437 74.856 1.00 9.36 H new ATOM 0 HB2 GLN A 37 -0.284 29.359 73.044 1.00 9.07 H new ATOM 0 HB3 GLN A 37 0.375 30.671 73.572 1.00 9.07 H new ATOM 0 HG2 GLN A 37 1.252 29.639 75.374 1.00 10.74 H new ATOM 0 HG3 GLN A 37 0.294 28.416 75.238 1.00 10.74 H new ATOM 0 HE21 GLN A 37 3.202 28.507 75.344 1.00 13.28 H new ATOM 0 HE22 GLN A 37 3.709 27.747 74.168 1.00 13.28 H new ATOM 272 N VAL A 38 -1.175 30.604 76.929 1.00 10.59 N ATOM 273 CA VAL A 38 -0.888 31.347 78.167 1.00 9.85 C ATOM 274 C VAL A 38 0.195 30.548 78.893 1.00 10.30 C ATOM 275 O VAL A 38 0.008 29.355 79.136 1.00 9.68 O ATOM 276 CB VAL A 38 -2.120 31.436 79.106 1.00 9.53 C ATOM 277 CG1 VAL A 38 -1.784 32.303 80.309 1.00 10.37 C ATOM 278 CG2 VAL A 38 -3.288 32.046 78.393 1.00 9.32 C ATOM 0 H VAL A 38 -1.372 29.777 77.059 1.00 10.59 H new ATOM 0 HA VAL A 38 -0.626 32.254 77.944 1.00 9.85 H new ATOM 0 HB VAL A 38 -2.350 30.537 79.389 1.00 9.53 H new ATOM 0 HG11 VAL A 38 -2.555 32.357 80.895 1.00 10.37 H new ATOM 0 HG12 VAL A 38 -1.039 31.912 80.792 1.00 10.37 H new ATOM 0 HG13 VAL A 38 -1.543 33.193 80.009 1.00 10.37 H new ATOM 0 HG21 VAL A 38 -4.047 32.093 78.996 1.00 9.32 H new ATOM 0 HG22 VAL A 38 -3.055 32.940 78.096 1.00 9.32 H new ATOM 0 HG23 VAL A 38 -3.519 31.501 77.625 1.00 9.32 H new ATOM 279 N ASP A 39 1.318 31.192 79.214 1.00 7.96 N ATOM 280 CA ASP A 39 2.421 30.525 79.910 1.00 8.04 C ATOM 281 C ASP A 39 2.823 31.273 81.166 1.00 8.95 C ATOM 282 O ASP A 39 3.063 32.481 81.115 1.00 10.26 O ATOM 283 CB ASP A 39 3.674 30.452 79.031 1.00 11.49 C ATOM 284 CG ASP A 39 3.473 29.597 77.782 1.00 11.35 C ATOM 285 OD1 ASP A 39 2.937 28.481 77.894 1.00 13.86 O ATOM 286 OD2 ASP A 39 3.858 30.061 76.693 1.00 14.71 O ATOM 0 H ASP A 39 1.462 32.021 79.036 1.00 7.96 H new ATOM 0 HA ASP A 39 2.096 29.637 80.127 1.00 8.04 H new ATOM 0 HB2 ASP A 39 3.930 31.349 78.766 1.00 11.49 H new ATOM 0 HB3 ASP A 39 4.408 30.089 79.551 1.00 11.49 H new ATOM 287 N PHE A 40 2.911 30.548 82.281 1.00 9.63 N ATOM 288 CA PHE A 40 3.328 31.109 83.569 1.00 10.39 C ATOM 289 C PHE A 40 4.817 30.738 83.692 1.00 10.64 C ATOM 290 O PHE A 40 5.141 29.570 83.887 1.00 12.64 O ATOM 291 CB PHE A 40 2.528 30.454 84.708 1.00 11.56 C ATOM 292 CG PHE A 40 1.077 30.905 84.808 1.00 12.98 C ATOM 293 CD1 PHE A 40 0.508 31.755 83.873 1.00 15.77 C ATOM 294 CD2 PHE A 40 0.286 30.472 85.871 1.00 16.75 C ATOM 295 CE1 PHE A 40 -0.821 32.167 83.993 1.00 17.04 C ATOM 296 CE2 PHE A 40 -1.040 30.879 85.998 1.00 17.43 C ATOM 297 CZ PHE A 40 -1.596 31.728 85.055 1.00 15.19 C ATOM 0 H PHE A 40 2.729 29.708 82.312 1.00 9.63 H new ATOM 0 HA PHE A 40 3.180 32.066 83.622 1.00 10.39 H new ATOM 0 HB2 PHE A 40 2.547 29.492 84.588 1.00 11.56 H new ATOM 0 HB3 PHE A 40 2.972 30.644 85.549 1.00 11.56 H new ATOM 0 HD1 PHE A 40 1.018 32.055 83.156 1.00 15.77 H new ATOM 0 HD2 PHE A 40 0.651 29.900 86.508 1.00 16.75 H new ATOM 0 HE1 PHE A 40 -1.188 32.738 83.357 1.00 17.04 H new ATOM 0 HE2 PHE A 40 -1.552 30.581 86.715 1.00 17.43 H new ATOM 0 HZ PHE A 40 -2.482 32.001 85.134 1.00 15.19 H new ATOM 298 N HIS A 41 5.706 31.724 83.578 1.00 9.30 N ATOM 299 CA HIS A 41 7.153 31.505 83.619 1.00 9.53 C ATOM 300 C HIS A 41 7.779 31.738 84.988 1.00 11.45 C ATOM 301 O HIS A 41 7.245 32.492 85.802 1.00 13.19 O ATOM 302 CB HIS A 41 7.844 32.448 82.627 1.00 11.52 C ATOM 303 CG HIS A 41 7.743 32.009 81.198 1.00 13.06 C ATOM 304 ND1 HIS A 41 8.662 31.161 80.616 1.00 11.66 N ATOM 305 CD2 HIS A 41 6.820 32.280 80.243 1.00 10.94 C ATOM 306 CE1 HIS A 41 8.308 30.926 79.362 1.00 12.64 C ATOM 307 NE2 HIS A 41 7.194 31.592 79.113 1.00 12.77 N ATOM 0 H HIS A 41 5.484 32.548 83.474 1.00 9.30 H new ATOM 0 HA HIS A 41 7.282 30.571 83.391 1.00 9.53 H new ATOM 0 HB2 HIS A 41 7.456 33.333 82.712 1.00 11.52 H new ATOM 0 HB3 HIS A 41 8.781 32.525 82.867 1.00 11.52 H new ATOM 0 HD2 HIS A 41 6.074 32.828 80.335 1.00 10.94 H new ATOM 0 HE1 HIS A 41 8.765 30.385 78.759 1.00 12.64 H new ATOM 0 HE2 HIS A 41 6.771 31.595 78.364 1.00 12.77 H new ATOM 308 N THR A 42 8.924 31.110 85.226 1.00 11.18 N ATOM 309 CA THR A 42 9.626 31.256 86.500 1.00 13.05 C ATOM 310 C THR A 42 10.567 32.462 86.467 1.00 14.81 C ATOM 311 O THR A 42 11.058 32.889 87.509 1.00 14.81 O ATOM 312 CB THR A 42 10.468 30.010 86.831 1.00 11.58 C ATOM 313 OG1 THR A 42 11.393 29.776 85.765 1.00 14.68 O ATOM 314 CG2 THR A 42 9.586 28.773 87.010 1.00 10.71 C ATOM 0 H THR A 42 9.315 30.592 84.662 1.00 11.18 H new ATOM 0 HA THR A 42 8.944 31.377 87.179 1.00 13.05 H new ATOM 0 HB THR A 42 10.939 30.171 87.664 1.00 11.58 H new ATOM 0 HG1 THR A 42 12.143 29.572 86.084 1.00 14.68 H new ATOM 0 HG21 THR A 42 10.142 28.006 87.217 1.00 10.71 H new ATOM 0 HG22 THR A 42 8.960 28.924 87.736 1.00 10.71 H new ATOM 0 HG23 THR A 42 9.095 28.604 86.191 1.00 10.71 H new ATOM 315 N GLU A 43 10.844 32.998 85.273 1.00 15.73 N ATOM 316 CA GLU A 43 11.721 34.166 85.131 1.00 17.15 C ATOM 317 C GLU A 43 11.102 35.101 84.117 1.00 17.93 C ATOM 318 O GLU A 43 10.163 34.720 83.419 1.00 16.90 O ATOM 319 CB GLU A 43 13.122 33.782 84.628 1.00 18.36 C ATOM 320 CG GLU A 43 13.904 32.828 85.502 1.00 25.39 C ATOM 321 CD GLU A 43 14.250 33.433 86.862 1.00 34.74 C ATOM 322 OE1 GLU A 43 14.518 32.648 87.810 1.00 39.10 O ATOM 323 OE2 GLU A 43 14.254 34.691 86.992 1.00 36.28 O ATOM 0 H GLU A 43 10.532 32.698 84.530 1.00 15.73 H new ATOM 0 HA GLU A 43 11.814 34.580 86.003 1.00 17.15 H new ATOM 0 HB2 GLU A 43 13.032 33.385 83.747 1.00 18.36 H new ATOM 0 HB3 GLU A 43 13.641 34.594 84.522 1.00 18.36 H new ATOM 0 HG2 GLU A 43 13.388 32.017 85.634 1.00 25.39 H new ATOM 0 HG3 GLU A 43 14.722 32.573 85.047 1.00 25.39 H new ATOM 324 N MET A 44 11.634 36.319 84.033 1.00 19.49 N ATOM 325 CA MET A 44 11.139 37.307 83.084 1.00 23.43 C ATOM 326 C MET A 44 11.557 36.989 81.652 1.00 24.59 C ATOM 327 O MET A 44 11.057 37.605 80.720 1.00 28.75 O ATOM 328 CB MET A 44 11.627 38.707 83.448 1.00 23.92 C ATOM 329 CG MET A 44 10.849 39.346 84.590 1.00 28.08 C ATOM 330 SD MET A 44 9.122 39.683 84.189 1.00 33.92 S ATOM 331 CE MET A 44 9.209 40.397 82.496 1.00 33.10 C ATOM 0 H MET A 44 12.287 36.592 84.522 1.00 19.49 H new ATOM 0 HA MET A 44 10.171 37.276 83.135 1.00 23.43 H new ATOM 0 HB2 MET A 44 12.565 38.661 83.691 1.00 23.92 H new ATOM 0 HB3 MET A 44 11.564 39.277 82.665 1.00 23.92 H new ATOM 0 HG2 MET A 44 10.885 38.761 85.363 1.00 28.08 H new ATOM 0 HG3 MET A 44 11.283 40.176 84.842 1.00 28.08 H new ATOM 0 HE1 MET A 44 8.366 40.827 82.282 1.00 33.10 H new ATOM 0 HE2 MET A 44 9.925 41.051 82.457 1.00 33.10 H new ATOM 0 HE3 MET A 44 9.382 39.690 81.855 1.00 33.10 H new ATOM 332 N LYS A 45 12.460 36.036 81.468 1.00 23.70 N ATOM 333 CA LYS A 45 12.890 35.673 80.123 1.00 25.22 C ATOM 334 C LYS A 45 11.999 34.568 79.534 1.00 24.79 C ATOM 335 O LYS A 45 11.594 33.635 80.235 1.00 23.02 O ATOM 336 CB LYS A 45 14.361 35.242 80.129 1.00 27.61 C ATOM 337 CG LYS A 45 14.720 34.170 81.126 1.00 32.37 C ATOM 338 CD LYS A 45 16.224 33.926 81.134 1.00 38.61 C ATOM 339 CE LYS A 45 17.008 35.177 81.549 1.00 41.88 C ATOM 340 NZ LYS A 45 17.710 35.832 80.394 1.00 46.31 N ATOM 0 H LYS A 45 12.834 35.590 82.101 1.00 23.70 H new ATOM 0 HA LYS A 45 12.801 36.456 79.557 1.00 25.22 H new ATOM 0 HB2 LYS A 45 14.593 34.927 79.241 1.00 27.61 H new ATOM 0 HB3 LYS A 45 14.910 36.022 80.305 1.00 27.61 H new ATOM 0 HG2 LYS A 45 14.425 34.434 82.012 1.00 32.37 H new ATOM 0 HG3 LYS A 45 14.255 33.348 80.906 1.00 32.37 H new ATOM 0 HD2 LYS A 45 16.430 33.200 81.743 1.00 38.61 H new ATOM 0 HD3 LYS A 45 16.510 33.645 80.251 1.00 38.61 H new ATOM 0 HE2 LYS A 45 16.401 35.814 81.957 1.00 41.88 H new ATOM 0 HE3 LYS A 45 17.661 34.935 82.224 1.00 41.88 H new ATOM 0 HZ1 LYS A 45 18.150 36.550 80.682 1.00 46.31 H new ATOM 0 HZ2 LYS A 45 18.286 35.258 80.032 1.00 46.31 H new ATOM 0 HZ3 LYS A 45 17.111 36.077 79.783 1.00 46.31 H new ATOM 341 N GLU A 46 11.693 34.662 78.241 1.00 24.11 N ATOM 342 CA GLU A 46 10.816 33.670 77.620 1.00 24.37 C ATOM 343 C GLU A 46 11.381 32.253 77.492 1.00 21.88 C ATOM 344 O GLU A 46 10.632 31.308 77.288 1.00 20.37 O ATOM 345 CB GLU A 46 10.323 34.175 76.258 1.00 28.33 C ATOM 346 CG GLU A 46 11.410 34.534 75.290 1.00 36.63 C ATOM 347 CD GLU A 46 10.857 34.939 73.925 1.00 41.32 C ATOM 348 OE1 GLU A 46 11.356 34.394 72.905 1.00 42.70 O ATOM 349 OE2 GLU A 46 9.933 35.793 73.886 1.00 40.72 O ATOM 0 H GLU A 46 11.976 35.280 77.714 1.00 24.11 H new ATOM 0 HA GLU A 46 10.078 33.577 78.243 1.00 24.37 H new ATOM 0 HB2 GLU A 46 9.763 33.492 75.857 1.00 28.33 H new ATOM 0 HB3 GLU A 46 9.763 34.954 76.399 1.00 28.33 H new ATOM 0 HG2 GLU A 46 11.936 35.263 75.653 1.00 36.63 H new ATOM 0 HG3 GLU A 46 12.008 33.778 75.183 1.00 36.63 H new ATOM 350 N GLU A 47 12.691 32.086 77.627 1.00 19.68 N ATOM 351 CA GLU A 47 13.254 30.748 77.531 1.00 20.48 C ATOM 352 C GLU A 47 13.268 30.065 78.910 1.00 19.01 C ATOM 353 O GLU A 47 13.697 28.921 79.033 1.00 18.16 O ATOM 354 CB GLU A 47 14.672 30.815 76.959 1.00 25.60 C ATOM 355 CG GLU A 47 15.681 31.466 77.899 1.00 33.29 C ATOM 356 CD GLU A 47 15.864 32.971 77.656 1.00 39.14 C ATOM 357 OE1 GLU A 47 16.882 33.516 78.154 1.00 43.67 O ATOM 358 OE2 GLU A 47 15.008 33.609 76.979 1.00 38.89 O ATOM 0 H GLU A 47 13.258 32.717 77.771 1.00 19.68 H new ATOM 0 HA GLU A 47 12.698 30.222 76.935 1.00 20.48 H new ATOM 0 HB2 GLU A 47 14.970 29.916 76.749 1.00 25.60 H new ATOM 0 HB3 GLU A 47 14.653 31.310 76.125 1.00 25.60 H new ATOM 0 HG2 GLU A 47 15.395 31.326 78.815 1.00 33.29 H new ATOM 0 HG3 GLU A 47 16.538 31.023 77.799 1.00 33.29 H new ATOM 359 N SER A 48 12.789 30.759 79.942 1.00 17.56 N ATOM 360 CA SER A 48 12.764 30.187 81.292 1.00 15.27 C ATOM 361 C SER A 48 11.707 29.085 81.428 1.00 13.82 C ATOM 362 O SER A 48 10.838 28.930 80.563 1.00 12.58 O ATOM 363 CB SER A 48 12.511 31.285 82.330 1.00 13.94 C ATOM 364 OG SER A 48 11.204 31.830 82.214 1.00 12.67 O ATOM 0 H SER A 48 12.475 31.558 79.884 1.00 17.56 H new ATOM 0 HA SER A 48 13.632 29.785 81.452 1.00 15.27 H new ATOM 0 HB2 SER A 48 12.632 30.922 83.221 1.00 13.94 H new ATOM 0 HB3 SER A 48 13.167 31.991 82.220 1.00 13.94 H new ATOM 0 HG SER A 48 11.198 32.419 81.615 1.00 12.67 H new ATOM 365 N ASP A 49 11.778 28.330 82.521 1.00 13.52 N ATOM 366 CA ASP A 49 10.838 27.244 82.769 1.00 13.49 C ATOM 367 C ASP A 49 9.418 27.737 82.872 1.00 13.72 C ATOM 368 O ASP A 49 9.168 28.916 83.171 1.00 14.35 O ATOM 369 CB ASP A 49 11.195 26.493 84.044 1.00 14.24 C ATOM 370 CG ASP A 49 12.400 25.591 83.866 1.00 17.91 C ATOM 371 OD1 ASP A 49 12.864 25.420 82.717 1.00 16.01 O ATOM 372 OD2 ASP A 49 12.886 25.056 84.882 1.00 16.66 O ATOM 0 H ASP A 49 12.370 28.433 83.136 1.00 13.52 H new ATOM 0 HA ASP A 49 10.903 26.646 82.008 1.00 13.49 H new ATOM 0 HB2 ASP A 49 11.374 27.131 84.753 1.00 14.24 H new ATOM 0 HB3 ASP A 49 10.435 25.961 84.326 1.00 14.24 H new ATOM 373 N ILE A 50 8.491 26.815 82.635 1.00 12.99 N ATOM 374 CA ILE A 50 7.079 27.125 82.629 1.00 11.86 C ATOM 375 C ILE A 50 6.365 26.243 83.627 1.00 11.69 C ATOM 376 O ILE A 50 6.334 25.027 83.495 1.00 11.88 O ATOM 377 CB ILE A 50 6.494 26.907 81.216 1.00 13.46 C ATOM 378 CG1 ILE A 50 7.087 27.948 80.262 1.00 12.83 C ATOM 379 CG2 ILE A 50 4.969 27.013 81.237 1.00 11.68 C ATOM 380 CD1 ILE A 50 6.739 27.700 78.799 1.00 14.95 C ATOM 0 H ILE A 50 8.670 25.990 82.473 1.00 12.99 H new ATOM 0 HA ILE A 50 6.955 28.055 82.877 1.00 11.86 H new ATOM 0 HB ILE A 50 6.726 26.016 80.910 1.00 13.46 H new ATOM 0 HG12 ILE A 50 6.770 28.828 80.518 1.00 12.83 H new ATOM 0 HG13 ILE A 50 8.052 27.954 80.361 1.00 12.83 H new ATOM 0 HG21 ILE A 50 4.622 26.873 80.342 1.00 11.68 H new ATOM 0 HG22 ILE A 50 4.606 26.339 81.833 1.00 11.68 H new ATOM 0 HG23 ILE A 50 4.710 27.894 81.550 1.00 11.68 H new ATOM 0 HD11 ILE A 50 7.142 28.390 78.249 1.00 14.95 H new ATOM 0 HD12 ILE A 50 7.078 26.832 78.528 1.00 14.95 H new ATOM 0 HD13 ILE A 50 5.776 27.720 78.687 1.00 14.95 H new ATOM 381 N VAL A 51 5.791 26.895 84.626 1.00 12.17 N ATOM 382 CA VAL A 51 5.072 26.238 85.711 1.00 13.05 C ATOM 383 C VAL A 51 3.707 25.706 85.235 1.00 11.81 C ATOM 384 O VAL A 51 3.266 24.638 85.651 1.00 13.64 O ATOM 385 CB VAL A 51 4.915 27.257 86.904 1.00 14.02 C ATOM 386 CG1 VAL A 51 3.872 26.799 87.886 1.00 16.14 C ATOM 387 CG2 VAL A 51 6.271 27.444 87.593 1.00 13.59 C ATOM 0 H VAL A 51 5.808 27.752 84.696 1.00 12.17 H new ATOM 0 HA VAL A 51 5.577 25.468 86.015 1.00 13.05 H new ATOM 0 HB VAL A 51 4.616 28.109 86.549 1.00 14.02 H new ATOM 0 HG11 VAL A 51 3.799 27.445 88.606 1.00 16.14 H new ATOM 0 HG12 VAL A 51 3.016 26.719 87.436 1.00 16.14 H new ATOM 0 HG13 VAL A 51 4.127 25.937 88.250 1.00 16.14 H new ATOM 0 HG21 VAL A 51 6.177 28.071 88.328 1.00 13.59 H new ATOM 0 HG22 VAL A 51 6.581 26.591 87.934 1.00 13.59 H new ATOM 0 HG23 VAL A 51 6.914 27.789 86.954 1.00 13.59 H new ATOM 388 N PHE A 52 3.048 26.459 84.361 1.00 11.78 N ATOM 389 CA PHE A 52 1.743 26.087 83.818 1.00 12.29 C ATOM 390 C PHE A 52 1.694 26.635 82.386 1.00 13.87 C ATOM 391 O PHE A 52 1.874 27.831 82.171 1.00 15.01 O ATOM 392 CB PHE A 52 0.621 26.713 84.671 1.00 13.78 C ATOM 393 CG PHE A 52 -0.792 26.454 84.153 1.00 14.36 C ATOM 394 CD1 PHE A 52 -1.235 25.166 83.863 1.00 13.90 C ATOM 395 CD2 PHE A 52 -1.692 27.504 84.009 1.00 14.35 C ATOM 396 CE1 PHE A 52 -2.546 24.935 83.442 1.00 12.76 C ATOM 397 CE2 PHE A 52 -3.005 27.269 83.592 1.00 14.21 C ATOM 398 CZ PHE A 52 -3.423 25.980 83.310 1.00 11.82 C ATOM 0 H PHE A 52 3.348 27.208 84.063 1.00 11.78 H new ATOM 0 HA PHE A 52 1.617 25.125 83.826 1.00 12.29 H new ATOM 0 HB2 PHE A 52 0.689 26.370 85.576 1.00 13.78 H new ATOM 0 HB3 PHE A 52 0.764 27.671 84.720 1.00 13.78 H new ATOM 0 HD1 PHE A 52 -0.649 24.449 83.951 1.00 13.90 H new ATOM 0 HD2 PHE A 52 -1.417 28.373 84.192 1.00 14.35 H new ATOM 0 HE1 PHE A 52 -2.825 24.069 83.250 1.00 12.76 H new ATOM 0 HE2 PHE A 52 -3.599 27.980 83.504 1.00 14.21 H new ATOM 0 HZ PHE A 52 -4.296 25.823 83.032 1.00 11.82 H new ATOM 399 N HIS A 53 1.461 25.753 81.421 1.00 13.06 N ATOM 400 CA HIS A 53 1.379 26.108 80.009 1.00 15.32 C ATOM 401 C HIS A 53 -0.036 25.693 79.590 1.00 14.96 C ATOM 402 O HIS A 53 -0.439 24.554 79.812 1.00 14.98 O ATOM 403 CB HIS A 53 2.474 25.326 79.268 1.00 19.18 C ATOM 404 CG HIS A 53 2.132 24.937 77.865 1.00 20.28 C ATOM 405 ND1 HIS A 53 2.390 25.754 76.785 1.00 24.33 N ATOM 406 CD2 HIS A 53 1.638 23.786 77.352 1.00 22.35 C ATOM 407 CE1 HIS A 53 2.070 25.125 75.667 1.00 25.87 C ATOM 408 NE2 HIS A 53 1.612 23.928 75.983 1.00 23.33 N ATOM 0 H HIS A 53 1.344 24.914 81.571 1.00 13.06 H new ATOM 0 HA HIS A 53 1.520 27.048 79.814 1.00 15.32 H new ATOM 0 HB2 HIS A 53 3.282 25.862 79.253 1.00 19.18 H new ATOM 0 HB3 HIS A 53 2.676 24.522 79.772 1.00 19.18 H new ATOM 0 HD1 HIS A 53 2.710 26.551 76.831 1.00 24.33 H new ATOM 0 HD2 HIS A 53 1.367 23.039 77.834 1.00 22.35 H new ATOM 0 HE1 HIS A 53 2.153 25.467 74.806 1.00 25.87 H new ATOM 409 N PHE A 54 -0.790 26.629 79.023 1.00 12.60 N ATOM 410 CA PHE A 54 -2.163 26.382 78.600 1.00 13.06 C ATOM 411 C PHE A 54 -2.272 26.753 77.111 1.00 14.67 C ATOM 412 O PHE A 54 -2.124 27.917 76.743 1.00 14.24 O ATOM 413 CB PHE A 54 -3.081 27.253 79.457 1.00 11.75 C ATOM 414 CG PHE A 54 -4.547 27.138 79.134 1.00 14.27 C ATOM 415 CD1 PHE A 54 -5.305 26.070 79.621 1.00 14.59 C ATOM 416 CD2 PHE A 54 -5.200 28.149 78.415 1.00 12.86 C ATOM 417 CE1 PHE A 54 -6.692 26.011 79.402 1.00 13.71 C ATOM 418 CE2 PHE A 54 -6.577 28.098 78.193 1.00 13.13 C ATOM 419 CZ PHE A 54 -7.325 27.026 78.689 1.00 15.59 C ATOM 0 H PHE A 54 -0.517 27.430 78.872 1.00 12.60 H new ATOM 0 HA PHE A 54 -2.419 25.453 78.711 1.00 13.06 H new ATOM 0 HB2 PHE A 54 -2.949 27.019 80.389 1.00 11.75 H new ATOM 0 HB3 PHE A 54 -2.813 28.180 79.356 1.00 11.75 H new ATOM 0 HD1 PHE A 54 -4.886 25.389 80.096 1.00 14.59 H new ATOM 0 HD2 PHE A 54 -4.708 28.864 78.081 1.00 12.86 H new ATOM 0 HE1 PHE A 54 -7.186 25.296 79.733 1.00 13.71 H new ATOM 0 HE2 PHE A 54 -6.997 28.777 77.715 1.00 13.13 H new ATOM 0 HZ PHE A 54 -8.243 26.991 78.543 1.00 15.59 H new ATOM 420 N GLN A 55 -2.496 25.765 76.249 1.00 13.89 N ATOM 421 CA GLN A 55 -2.600 26.034 74.818 1.00 15.08 C ATOM 422 C GLN A 55 -3.914 25.540 74.247 1.00 14.71 C ATOM 423 O GLN A 55 -4.247 24.357 74.355 1.00 15.71 O ATOM 424 CB GLN A 55 -1.450 25.380 74.068 1.00 16.45 C ATOM 425 CG GLN A 55 -1.474 25.666 72.593 1.00 20.88 C ATOM 426 CD GLN A 55 -0.456 24.841 71.839 1.00 26.82 C ATOM 427 OE1 GLN A 55 -0.608 23.627 71.693 1.00 33.33 O ATOM 428 NE2 GLN A 55 0.599 25.495 71.359 1.00 30.60 N ATOM 0 H GLN A 55 -2.590 24.939 76.469 1.00 13.89 H new ATOM 0 HA GLN A 55 -2.559 26.997 74.705 1.00 15.08 H new ATOM 0 HB2 GLN A 55 -0.610 25.691 74.439 1.00 16.45 H new ATOM 0 HB3 GLN A 55 -1.484 24.421 74.207 1.00 16.45 H new ATOM 0 HG2 GLN A 55 -2.360 25.483 72.243 1.00 20.88 H new ATOM 0 HG3 GLN A 55 -1.299 26.608 72.444 1.00 20.88 H new ATOM 0 HE21 GLN A 55 0.671 26.343 71.481 1.00 30.60 H new ATOM 0 HE22 GLN A 55 1.209 25.069 70.927 1.00 30.60 H new ATOM 429 N VAL A 56 -4.656 26.460 73.642 1.00 15.07 N ATOM 430 CA VAL A 56 -5.957 26.161 73.048 1.00 15.64 C ATOM 431 C VAL A 56 -5.885 26.102 71.523 1.00 17.96 C ATOM 432 O VAL A 56 -5.394 27.035 70.873 1.00 16.42 O ATOM 433 CB VAL A 56 -6.989 27.252 73.416 1.00 16.50 C ATOM 434 CG1 VAL A 56 -8.386 26.886 72.893 1.00 15.43 C ATOM 435 CG2 VAL A 56 -7.001 27.466 74.914 1.00 16.83 C ATOM 0 H VAL A 56 -4.418 27.283 73.563 1.00 15.07 H new ATOM 0 HA VAL A 56 -6.225 25.297 73.398 1.00 15.64 H new ATOM 0 HB VAL A 56 -6.730 28.084 72.990 1.00 16.50 H new ATOM 0 HG11 VAL A 56 -9.015 27.583 73.135 1.00 15.43 H new ATOM 0 HG12 VAL A 56 -8.357 26.798 71.927 1.00 15.43 H new ATOM 0 HG13 VAL A 56 -8.669 26.045 73.286 1.00 15.43 H new ATOM 0 HG21 VAL A 56 -7.650 28.151 75.138 1.00 16.83 H new ATOM 0 HG22 VAL A 56 -7.240 26.637 75.358 1.00 16.83 H new ATOM 0 HG23 VAL A 56 -6.120 27.747 75.208 1.00 16.83 H new ATOM 436 N CYS A 57 -6.342 24.991 70.957 1.00 19.42 N ATOM 437 CA CYS A 57 -6.422 24.859 69.501 1.00 22.87 C ATOM 438 C CYS A 57 -7.935 25.033 69.339 1.00 20.78 C ATOM 439 O CYS A 57 -8.693 24.078 69.505 1.00 19.03 O ATOM 440 CB CYS A 57 -5.956 23.470 69.052 1.00 26.05 C ATOM 441 SG CYS A 57 -4.197 23.165 69.442 1.00 40.32 S ATOM 0 H CYS A 57 -6.611 24.301 71.395 1.00 19.42 H new ATOM 0 HA CYS A 57 -5.875 25.470 68.983 1.00 22.87 H new ATOM 0 HB2 CYS A 57 -6.502 22.794 69.483 1.00 26.05 H new ATOM 0 HB3 CYS A 57 -6.093 23.379 68.096 1.00 26.05 H new ATOM 0 HG CYS A 57 -3.526 24.048 68.984 1.00 40.32 H new ATOM 442 N PHE A 58 -8.357 26.276 69.083 1.00 19.46 N ATOM 443 CA PHE A 58 -9.774 26.638 68.965 1.00 20.15 C ATOM 444 C PHE A 58 -10.572 25.704 68.064 1.00 21.49 C ATOM 445 O PHE A 58 -10.244 25.529 66.898 1.00 19.57 O ATOM 446 CB PHE A 58 -9.926 28.079 68.465 1.00 16.83 C ATOM 447 CG PHE A 58 -9.623 29.134 69.510 1.00 18.39 C ATOM 448 CD1 PHE A 58 -8.473 29.927 69.409 1.00 17.84 C ATOM 449 CD2 PHE A 58 -10.499 29.367 70.572 1.00 16.10 C ATOM 450 CE1 PHE A 58 -8.196 30.944 70.344 1.00 16.71 C ATOM 451 CE2 PHE A 58 -10.230 30.379 71.512 1.00 17.86 C ATOM 452 CZ PHE A 58 -9.078 31.169 71.395 1.00 17.51 C ATOM 0 H PHE A 58 -7.822 26.940 68.972 1.00 19.46 H new ATOM 0 HA PHE A 58 -10.140 26.552 69.859 1.00 20.15 H new ATOM 0 HB2 PHE A 58 -9.337 28.211 67.706 1.00 16.83 H new ATOM 0 HB3 PHE A 58 -10.833 28.206 68.145 1.00 16.83 H new ATOM 0 HD1 PHE A 58 -7.879 29.779 68.709 1.00 17.84 H new ATOM 0 HD2 PHE A 58 -11.267 28.849 70.659 1.00 16.10 H new ATOM 0 HE1 PHE A 58 -7.428 31.462 70.259 1.00 16.71 H new ATOM 0 HE2 PHE A 58 -10.820 30.525 72.216 1.00 17.86 H new ATOM 0 HZ PHE A 58 -8.905 31.839 72.016 1.00 17.51 H new ATOM 453 N GLY A 59 -11.623 25.118 68.632 1.00 23.07 N ATOM 454 CA GLY A 59 -12.465 24.201 67.893 1.00 25.43 C ATOM 455 C GLY A 59 -11.944 22.776 67.902 1.00 26.86 C ATOM 456 O GLY A 59 -12.570 21.890 67.329 1.00 27.36 O ATOM 0 H GLY A 59 -11.862 25.243 69.449 1.00 23.07 H new ATOM 0 HA2 GLY A 59 -13.359 24.215 68.270 1.00 25.43 H new ATOM 0 HA3 GLY A 59 -12.539 24.507 66.975 1.00 25.43 H new ATOM 457 N ARG A 60 -10.815 22.541 68.566 1.00 26.67 N ATOM 458 CA ARG A 60 -10.225 21.209 68.612 1.00 27.60 C ATOM 459 C ARG A 60 -9.982 20.660 70.029 1.00 27.78 C ATOM 460 O ARG A 60 -10.801 19.912 70.571 1.00 29.09 O ATOM 461 CB ARG A 60 -8.907 21.216 67.841 1.00 29.74 C ATOM 462 CG ARG A 60 -8.812 20.172 66.762 1.00 39.79 C ATOM 463 CD ARG A 60 -9.352 20.680 65.419 1.00 46.87 C ATOM 464 NE ARG A 60 -9.959 22.016 65.499 1.00 53.64 N ATOM 465 CZ ARG A 60 -10.258 22.775 64.438 1.00 55.24 C ATOM 466 NH1 ARG A 60 -10.003 22.328 63.208 1.00 54.41 N ATOM 467 NH2 ARG A 60 -10.804 23.983 64.600 1.00 52.16 N ATOM 0 H ARG A 60 -10.375 23.142 68.997 1.00 26.67 H new ATOM 0 HA ARG A 60 -10.876 20.616 68.206 1.00 27.60 H new ATOM 0 HB2 ARG A 60 -8.784 22.091 67.441 1.00 29.74 H new ATOM 0 HB3 ARG A 60 -8.178 21.085 68.467 1.00 29.74 H new ATOM 0 HG2 ARG A 60 -7.887 19.902 66.656 1.00 39.79 H new ATOM 0 HG3 ARG A 60 -9.309 19.384 67.032 1.00 39.79 H new ATOM 0 HD2 ARG A 60 -8.628 20.700 64.774 1.00 46.87 H new ATOM 0 HD3 ARG A 60 -10.012 20.052 65.086 1.00 46.87 H new ATOM 0 HE ARG A 60 -10.134 22.331 66.280 1.00 53.64 H new ATOM 0 HH11 ARG A 60 -9.647 21.553 63.097 1.00 54.41 H new ATOM 0 HH12 ARG A 60 -10.195 22.815 62.525 1.00 54.41 H new ATOM 0 HH21 ARG A 60 -10.966 24.279 65.391 1.00 52.16 H new ATOM 0 HH22 ARG A 60 -10.993 24.465 63.913 1.00 52.16 H new ATOM 468 N ARG A 61 -8.851 21.036 70.621 1.00 25.39 N ATOM 469 CA ARG A 61 -8.482 20.561 71.944 1.00 23.83 C ATOM 470 C ARG A 61 -7.725 21.625 72.715 1.00 22.34 C ATOM 471 O ARG A 61 -7.420 22.698 72.185 1.00 19.59 O ATOM 472 CB ARG A 61 -7.583 19.336 71.823 1.00 27.57 C ATOM 473 CG ARG A 61 -6.661 19.404 70.627 1.00 33.63 C ATOM 474 CD ARG A 61 -5.240 18.985 70.921 1.00 39.47 C ATOM 475 NE ARG A 61 -4.302 19.900 70.262 1.00 46.51 N ATOM 476 CZ ARG A 61 -3.030 19.614 69.982 1.00 48.96 C ATOM 477 NH1 ARG A 61 -2.528 18.423 70.305 1.00 50.26 N ATOM 478 NH2 ARG A 61 -2.259 20.524 69.389 1.00 48.31 N ATOM 0 H ARG A 61 -8.280 21.572 70.266 1.00 25.39 H new ATOM 0 HA ARG A 61 -9.300 20.341 72.416 1.00 23.83 H new ATOM 0 HB2 ARG A 61 -7.053 19.248 72.631 1.00 27.57 H new ATOM 0 HB3 ARG A 61 -8.134 18.540 71.757 1.00 27.57 H new ATOM 0 HG2 ARG A 61 -7.016 18.838 69.924 1.00 33.63 H new ATOM 0 HG3 ARG A 61 -6.656 20.312 70.285 1.00 33.63 H new ATOM 0 HD2 ARG A 61 -5.086 18.986 71.879 1.00 39.47 H new ATOM 0 HD3 ARG A 61 -5.091 18.078 70.611 1.00 39.47 H new ATOM 0 HE ARG A 61 -4.594 20.678 70.040 1.00 46.51 H new ATOM 0 HH11 ARG A 61 -3.024 17.838 70.694 1.00 50.26 H new ATOM 0 HH12 ARG A 61 -1.708 18.239 70.124 1.00 50.26 H new ATOM 0 HH21 ARG A 61 -2.582 21.295 69.187 1.00 48.31 H new ATOM 0 HH22 ARG A 61 -1.439 20.340 69.208 1.00 48.31 H new ATOM 479 N VAL A 62 -7.418 21.296 73.966 1.00 18.63 N ATOM 480 CA VAL A 62 -6.668 22.156 74.860 1.00 17.07 C ATOM 481 C VAL A 62 -5.588 21.242 75.408 1.00 16.72 C ATOM 482 O VAL A 62 -5.852 20.077 75.732 1.00 15.38 O ATOM 483 CB VAL A 62 -7.562 22.674 75.999 1.00 17.63 C ATOM 484 CG1 VAL A 62 -6.708 23.215 77.141 1.00 18.90 C ATOM 485 CG2 VAL A 62 -8.492 23.746 75.465 1.00 18.86 C ATOM 0 H VAL A 62 -7.648 20.548 74.323 1.00 18.63 H new ATOM 0 HA VAL A 62 -6.314 22.942 74.416 1.00 17.07 H new ATOM 0 HB VAL A 62 -8.095 21.942 76.346 1.00 17.63 H new ATOM 0 HG11 VAL A 62 -7.284 23.538 77.851 1.00 18.90 H new ATOM 0 HG12 VAL A 62 -6.139 22.508 77.483 1.00 18.90 H new ATOM 0 HG13 VAL A 62 -6.157 23.944 76.816 1.00 18.90 H new ATOM 0 HG21 VAL A 62 -9.056 24.073 76.183 1.00 18.86 H new ATOM 0 HG22 VAL A 62 -7.968 24.480 75.106 1.00 18.86 H new ATOM 0 HG23 VAL A 62 -9.047 23.372 74.763 1.00 18.86 H new ATOM 486 N VAL A 63 -4.366 21.748 75.480 1.00 15.43 N ATOM 487 CA VAL A 63 -3.256 20.962 75.995 1.00 17.50 C ATOM 488 C VAL A 63 -2.645 21.731 77.159 1.00 18.29 C ATOM 489 O VAL A 63 -2.548 22.965 77.104 1.00 17.55 O ATOM 490 CB VAL A 63 -2.210 20.741 74.880 1.00 18.48 C ATOM 491 CG1 VAL A 63 -0.878 20.298 75.448 1.00 22.44 C ATOM 492 CG2 VAL A 63 -2.731 19.679 73.934 1.00 20.51 C ATOM 0 H VAL A 63 -4.158 22.546 75.235 1.00 15.43 H new ATOM 0 HA VAL A 63 -3.560 20.091 76.296 1.00 17.50 H new ATOM 0 HB VAL A 63 -2.070 21.580 74.414 1.00 18.48 H new ATOM 0 HG11 VAL A 63 -0.245 20.168 74.725 1.00 22.44 H new ATOM 0 HG12 VAL A 63 -0.542 20.977 76.053 1.00 22.44 H new ATOM 0 HG13 VAL A 63 -0.993 19.464 75.930 1.00 22.44 H new ATOM 0 HG21 VAL A 63 -2.084 19.529 73.227 1.00 20.51 H new ATOM 0 HG22 VAL A 63 -2.874 18.853 74.422 1.00 20.51 H new ATOM 0 HG23 VAL A 63 -3.570 19.974 73.546 1.00 20.51 H new ATOM 493 N MET A 64 -2.260 21.024 78.220 1.00 16.54 N ATOM 494 CA MET A 64 -1.639 21.678 79.380 1.00 15.83 C ATOM 495 C MET A 64 -0.411 20.888 79.767 1.00 16.64 C ATOM 496 O MET A 64 -0.403 19.663 79.641 1.00 16.38 O ATOM 497 CB MET A 64 -2.615 21.742 80.549 1.00 15.78 C ATOM 498 CG MET A 64 -3.736 22.733 80.312 1.00 15.17 C ATOM 499 SD MET A 64 -5.025 22.583 81.522 1.00 19.18 S ATOM 500 CE MET A 64 -5.802 21.051 80.945 1.00 19.70 C ATOM 0 H MET A 64 -2.347 20.171 78.292 1.00 16.54 H new ATOM 0 HA MET A 64 -1.393 22.588 79.150 1.00 15.83 H new ATOM 0 HB2 MET A 64 -2.992 20.861 80.701 1.00 15.78 H new ATOM 0 HB3 MET A 64 -2.135 21.988 81.355 1.00 15.78 H new ATOM 0 HG2 MET A 64 -3.379 23.635 80.332 1.00 15.17 H new ATOM 0 HG3 MET A 64 -4.107 22.594 79.427 1.00 15.17 H new ATOM 0 HE1 MET A 64 -6.714 21.007 81.273 1.00 19.70 H new ATOM 0 HE2 MET A 64 -5.806 21.035 79.975 1.00 19.70 H new ATOM 0 HE3 MET A 64 -5.302 20.289 81.278 1.00 19.70 H new ATOM 501 N ASN A 65 0.628 21.580 80.233 1.00 16.03 N ATOM 502 CA ASN A 65 1.877 20.904 80.597 1.00 15.29 C ATOM 503 C ASN A 65 2.760 21.858 81.397 1.00 14.92 C ATOM 504 O ASN A 65 2.329 22.955 81.769 1.00 14.77 O ATOM 505 CB ASN A 65 2.611 20.490 79.308 1.00 16.58 C ATOM 506 CG ASN A 65 3.527 19.285 79.493 1.00 19.78 C ATOM 507 OD1 ASN A 65 3.836 18.874 80.613 1.00 20.72 O ATOM 508 ND2 ASN A 65 3.972 18.718 78.380 1.00 18.81 N ATOM 0 H ASN A 65 0.633 22.433 80.346 1.00 16.03 H new ATOM 0 HA ASN A 65 1.682 20.121 81.135 1.00 15.29 H new ATOM 0 HB2 ASN A 65 1.956 20.288 78.622 1.00 16.58 H new ATOM 0 HB3 ASN A 65 3.135 21.240 78.987 1.00 16.58 H new ATOM 0 HD21 ASN A 65 4.496 18.038 78.424 1.00 18.81 H new ATOM 0 HD22 ASN A 65 3.736 19.031 77.614 1.00 18.81 H new ATOM 509 N SER A 66 3.995 21.430 81.651 1.00 13.70 N ATOM 510 CA SER A 66 4.969 22.244 82.337 1.00 13.77 C ATOM 511 C SER A 66 6.296 21.979 81.653 1.00 13.92 C ATOM 512 O SER A 66 6.480 20.936 81.034 1.00 15.45 O ATOM 513 CB SER A 66 5.051 21.891 83.833 1.00 15.06 C ATOM 514 OG SER A 66 5.409 20.533 84.070 1.00 14.62 O ATOM 0 H SER A 66 4.285 20.652 81.425 1.00 13.70 H new ATOM 0 HA SER A 66 4.724 23.181 82.293 1.00 13.77 H new ATOM 0 HB2 SER A 66 5.701 22.470 84.261 1.00 15.06 H new ATOM 0 HB3 SER A 66 4.193 22.071 84.249 1.00 15.06 H new ATOM 0 HG SER A 66 5.881 20.484 84.763 1.00 14.62 H new ATOM 515 N ARG A 67 7.203 22.945 81.720 1.00 12.76 N ATOM 516 CA ARG A 67 8.528 22.766 81.155 1.00 12.53 C ATOM 517 C ARG A 67 9.451 22.964 82.357 1.00 15.01 C ATOM 518 O ARG A 67 9.544 24.069 82.918 1.00 15.00 O ATOM 519 CB ARG A 67 8.826 23.804 80.055 1.00 12.40 C ATOM 520 CG ARG A 67 10.159 23.565 79.355 1.00 10.82 C ATOM 521 CD ARG A 67 10.301 24.405 78.087 1.00 16.46 C ATOM 522 NE ARG A 67 10.529 25.826 78.361 1.00 14.78 N ATOM 523 CZ ARG A 67 10.236 26.803 77.508 1.00 16.40 C ATOM 524 NH1 ARG A 67 9.701 26.504 76.324 1.00 14.45 N ATOM 525 NH2 ARG A 67 10.472 28.076 77.833 1.00 14.43 N ATOM 0 H ARG A 67 7.069 23.710 82.089 1.00 12.76 H new ATOM 0 HA ARG A 67 8.636 21.903 80.725 1.00 12.53 H new ATOM 0 HB2 ARG A 67 8.113 23.785 79.397 1.00 12.40 H new ATOM 0 HB3 ARG A 67 8.827 24.691 80.447 1.00 12.40 H new ATOM 0 HG2 ARG A 67 10.885 23.775 79.963 1.00 10.82 H new ATOM 0 HG3 ARG A 67 10.241 22.625 79.130 1.00 10.82 H new ATOM 0 HD2 ARG A 67 11.038 24.061 77.559 1.00 16.46 H new ATOM 0 HD3 ARG A 67 9.498 24.309 77.551 1.00 16.46 H new ATOM 0 HE ARG A 67 10.873 26.041 79.119 1.00 14.78 H new ATOM 0 HH11 ARG A 67 9.548 25.684 76.116 1.00 14.45 H new ATOM 0 HH12 ARG A 67 9.509 27.131 75.768 1.00 14.45 H new ATOM 0 HH21 ARG A 67 10.815 28.268 78.598 1.00 14.43 H new ATOM 0 HH22 ARG A 67 10.281 28.704 77.278 1.00 14.43 H new ATOM 526 N GLU A 68 10.104 21.883 82.769 1.00 15.02 N ATOM 527 CA GLU A 68 10.988 21.934 83.917 1.00 15.55 C ATOM 528 C GLU A 68 12.426 21.619 83.545 1.00 17.51 C ATOM 529 O GLU A 68 12.714 20.578 82.966 1.00 17.82 O ATOM 530 CB GLU A 68 10.456 20.977 84.961 1.00 15.79 C ATOM 531 CG GLU A 68 8.945 21.103 85.071 1.00 16.42 C ATOM 532 CD GLU A 68 8.333 20.140 86.062 1.00 20.24 C ATOM 533 OE1 GLU A 68 9.103 19.495 86.813 1.00 21.27 O ATOM 534 OE2 GLU A 68 7.084 20.026 86.089 1.00 18.37 O ATOM 0 H GLU A 68 10.046 21.111 82.394 1.00 15.02 H new ATOM 0 HA GLU A 68 11.003 22.836 84.274 1.00 15.55 H new ATOM 0 HB2 GLU A 68 10.695 20.067 84.726 1.00 15.79 H new ATOM 0 HB3 GLU A 68 10.866 21.165 85.820 1.00 15.79 H new ATOM 0 HG2 GLU A 68 8.721 22.010 85.331 1.00 16.42 H new ATOM 0 HG3 GLU A 68 8.550 20.953 84.198 1.00 16.42 H new ATOM 535 N TYR A 69 13.325 22.530 83.891 1.00 17.42 N ATOM 536 CA TYR A 69 14.732 22.381 83.556 1.00 19.89 C ATOM 537 C TYR A 69 14.904 22.224 82.058 1.00 21.12 C ATOM 538 O TYR A 69 15.744 21.465 81.591 1.00 20.99 O ATOM 539 CB TYR A 69 15.344 21.212 84.328 1.00 20.22 C ATOM 540 CG TYR A 69 15.658 21.683 85.718 1.00 23.53 C ATOM 541 CD1 TYR A 69 14.751 21.498 86.770 1.00 25.47 C ATOM 542 CD2 TYR A 69 16.772 22.491 85.940 1.00 26.16 C ATOM 543 CE1 TYR A 69 14.943 22.132 88.005 1.00 26.21 C ATOM 544 CE2 TYR A 69 16.971 23.123 87.157 1.00 28.36 C ATOM 545 CZ TYR A 69 16.053 22.948 88.175 1.00 27.14 C ATOM 546 OH TYR A 69 16.248 23.665 89.326 1.00 33.64 O ATOM 0 H TYR A 69 13.138 23.249 84.325 1.00 17.42 H new ATOM 0 HA TYR A 69 15.208 23.184 83.821 1.00 19.89 H new ATOM 0 HB2 TYR A 69 14.727 20.464 84.355 1.00 20.22 H new ATOM 0 HB3 TYR A 69 16.149 20.899 83.887 1.00 20.22 H new ATOM 0 HD1 TYR A 69 14.012 20.947 86.647 1.00 25.47 H new ATOM 0 HD2 TYR A 69 17.394 22.608 85.258 1.00 26.16 H new ATOM 0 HE1 TYR A 69 14.337 22.008 88.699 1.00 26.21 H new ATOM 0 HE2 TYR A 69 17.718 23.662 87.288 1.00 28.36 H new ATOM 0 HH TYR A 69 16.963 24.102 89.266 1.00 33.64 H new ATOM 547 N GLY A 70 14.082 22.966 81.318 1.00 20.88 N ATOM 548 CA GLY A 70 14.143 22.952 79.871 1.00 21.66 C ATOM 549 C GLY A 70 13.410 21.830 79.170 1.00 21.91 C ATOM 550 O GLY A 70 13.360 21.809 77.944 1.00 25.79 O ATOM 0 H GLY A 70 13.480 23.486 81.644 1.00 20.88 H new ATOM 0 HA2 GLY A 70 13.790 23.794 79.545 1.00 21.66 H new ATOM 0 HA3 GLY A 70 15.076 22.915 79.608 1.00 21.66 H new ATOM 551 N ALA A 71 12.826 20.904 79.913 1.00 19.81 N ATOM 552 CA ALA A 71 12.136 19.790 79.283 1.00 19.16 C ATOM 553 C ALA A 71 10.656 19.793 79.554 1.00 19.78 C ATOM 554 O ALA A 71 10.228 20.013 80.685 1.00 20.09 O ATOM 555 CB ALA A 71 12.722 18.479 79.768 1.00 19.97 C ATOM 0 H ALA A 71 12.816 20.900 80.773 1.00 19.81 H new ATOM 0 HA ALA A 71 12.262 19.889 78.326 1.00 19.16 H new ATOM 0 HB1 ALA A 71 12.258 17.740 79.344 1.00 19.97 H new ATOM 0 HB2 ALA A 71 13.664 18.441 79.540 1.00 19.97 H new ATOM 0 HB3 ALA A 71 12.620 18.415 80.730 1.00 19.97 H new ATOM 556 N TRP A 72 9.870 19.523 78.513 1.00 20.40 N ATOM 557 CA TRP A 72 8.419 19.458 78.651 1.00 19.35 C ATOM 558 C TRP A 72 8.106 18.185 79.420 1.00 20.01 C ATOM 559 O TRP A 72 8.786 17.168 79.251 1.00 22.14 O ATOM 560 CB TRP A 72 7.747 19.421 77.270 1.00 16.42 C ATOM 561 CG TRP A 72 7.730 20.755 76.603 1.00 18.18 C ATOM 562 CD1 TRP A 72 8.520 21.164 75.574 1.00 18.75 C ATOM 563 CD2 TRP A 72 6.911 21.879 76.952 1.00 19.73 C ATOM 564 NE1 TRP A 72 8.250 22.472 75.257 1.00 20.12 N ATOM 565 CE2 TRP A 72 7.267 22.937 76.089 1.00 20.60 C ATOM 566 CE3 TRP A 72 5.916 22.095 77.910 1.00 19.69 C ATOM 567 CZ2 TRP A 72 6.663 24.194 76.152 1.00 18.98 C ATOM 568 CZ3 TRP A 72 5.314 23.346 77.976 1.00 20.72 C ATOM 569 CH2 TRP A 72 5.694 24.381 77.098 1.00 19.47 C ATOM 0 H TRP A 72 10.160 19.374 77.717 1.00 20.40 H new ATOM 0 HA TRP A 72 8.083 20.239 79.117 1.00 19.35 H new ATOM 0 HB2 TRP A 72 8.214 18.786 76.704 1.00 16.42 H new ATOM 0 HB3 TRP A 72 6.837 19.100 77.366 1.00 16.42 H new ATOM 0 HD1 TRP A 72 9.153 20.633 75.146 1.00 18.75 H new ATOM 0 HE1 TRP A 72 8.636 22.926 74.637 1.00 20.12 H new ATOM 0 HE3 TRP A 72 5.662 21.415 78.492 1.00 19.69 H new ATOM 0 HZ2 TRP A 72 6.910 24.878 75.573 1.00 18.98 H new ATOM 0 HZ3 TRP A 72 4.651 23.502 78.609 1.00 20.72 H new ATOM 0 HH2 TRP A 72 5.276 25.209 77.164 1.00 19.47 H new ATOM 570 N LYS A 73 7.088 18.220 80.267 1.00 19.02 N ATOM 571 CA LYS A 73 6.757 17.029 81.022 1.00 20.93 C ATOM 572 C LYS A 73 5.553 16.312 80.448 1.00 21.04 C ATOM 573 O LYS A 73 5.322 16.365 79.257 1.00 21.38 O ATOM 574 CB LYS A 73 6.531 17.378 82.487 1.00 21.78 C ATOM 575 CG LYS A 73 7.816 17.722 83.204 1.00 25.12 C ATOM 576 CD LYS A 73 8.752 16.540 83.217 1.00 28.86 C ATOM 577 CE LYS A 73 10.008 16.858 83.992 1.00 34.21 C ATOM 578 NZ LYS A 73 11.135 17.162 83.068 1.00 39.20 N ATOM 0 H LYS A 73 6.589 18.905 80.416 1.00 19.02 H new ATOM 0 HA LYS A 73 7.510 16.421 80.957 1.00 20.93 H new ATOM 0 HB2 LYS A 73 5.920 18.129 82.547 1.00 21.78 H new ATOM 0 HB3 LYS A 73 6.106 16.629 82.933 1.00 21.78 H new ATOM 0 HG2 LYS A 73 8.244 18.475 82.767 1.00 25.12 H new ATOM 0 HG3 LYS A 73 7.621 17.996 84.114 1.00 25.12 H new ATOM 0 HD2 LYS A 73 8.307 15.775 83.614 1.00 28.86 H new ATOM 0 HD3 LYS A 73 8.982 16.294 82.307 1.00 28.86 H new ATOM 0 HE2 LYS A 73 9.850 17.616 84.576 1.00 34.21 H new ATOM 0 HE3 LYS A 73 10.242 16.107 84.559 1.00 34.21 H new ATOM 0 HZ1 LYS A 73 11.850 17.403 83.540 1.00 39.20 H new ATOM 0 HZ2 LYS A 73 11.328 16.439 82.587 1.00 39.20 H new ATOM 0 HZ3 LYS A 73 10.902 17.826 82.524 1.00 39.20 H new ATOM 579 N GLN A 74 4.788 15.641 81.296 1.00 23.83 N ATOM 580 CA GLN A 74 3.623 14.901 80.833 1.00 27.23 C ATOM 581 C GLN A 74 2.462 15.811 80.462 1.00 26.00 C ATOM 582 O GLN A 74 1.924 16.557 81.284 1.00 26.15 O ATOM 583 CB GLN A 74 3.175 13.894 81.890 1.00 32.18 C ATOM 584 CG GLN A 74 2.354 12.755 81.321 1.00 42.03 C ATOM 585 CD GLN A 74 0.896 12.811 81.754 1.00 48.71 C ATOM 586 OE1 GLN A 74 -0.020 12.616 80.939 1.00 53.26 O ATOM 587 NE2 GLN A 74 0.668 13.077 83.045 1.00 51.90 N ATOM 0 H GLN A 74 4.925 15.601 82.144 1.00 23.83 H new ATOM 0 HA GLN A 74 3.892 14.431 80.028 1.00 27.23 H new ATOM 0 HB2 GLN A 74 3.957 13.531 82.334 1.00 32.18 H new ATOM 0 HB3 GLN A 74 2.654 14.354 82.566 1.00 32.18 H new ATOM 0 HG2 GLN A 74 2.401 12.779 80.352 1.00 42.03 H new ATOM 0 HG3 GLN A 74 2.739 11.911 81.603 1.00 42.03 H new ATOM 0 HE21 GLN A 74 1.328 13.207 83.580 1.00 51.90 H new ATOM 0 HE22 GLN A 74 -0.139 13.118 83.340 1.00 51.90 H new ATOM 588 N GLN A 75 2.078 15.724 79.200 1.00 26.29 N ATOM 589 CA GLN A 75 0.996 16.517 78.645 1.00 26.90 C ATOM 590 C GLN A 75 -0.391 16.061 79.097 1.00 25.59 C ATOM 591 O GLN A 75 -0.640 14.878 79.288 1.00 25.62 O ATOM 592 CB GLN A 75 1.107 16.450 77.133 1.00 29.32 C ATOM 593 CG GLN A 75 0.052 17.174 76.379 1.00 36.41 C ATOM 594 CD GLN A 75 0.141 16.839 74.917 1.00 39.89 C ATOM 595 OE1 GLN A 75 1.087 17.245 74.232 1.00 41.73 O ATOM 596 NE2 GLN A 75 -0.832 16.073 74.425 1.00 42.70 N ATOM 0 H GLN A 75 2.445 15.193 78.631 1.00 26.29 H new ATOM 0 HA GLN A 75 1.087 17.426 78.971 1.00 26.90 H new ATOM 0 HB2 GLN A 75 1.971 16.806 76.872 1.00 29.32 H new ATOM 0 HB3 GLN A 75 1.092 15.518 76.865 1.00 29.32 H new ATOM 0 HG2 GLN A 75 -0.823 16.933 76.721 1.00 36.41 H new ATOM 0 HG3 GLN A 75 0.152 18.130 76.506 1.00 36.41 H new ATOM 0 HE21 GLN A 75 -1.473 15.811 74.935 1.00 42.70 H new ATOM 0 HE22 GLN A 75 -0.819 15.840 73.597 1.00 42.70 H new ATOM 597 N VAL A 76 -1.290 17.014 79.286 1.00 23.90 N ATOM 598 CA VAL A 76 -2.655 16.711 79.686 1.00 24.44 C ATOM 599 C VAL A 76 -3.495 17.348 78.600 1.00 25.89 C ATOM 600 O VAL A 76 -3.364 18.543 78.327 1.00 26.60 O ATOM 601 CB VAL A 76 -3.029 17.372 81.024 1.00 23.37 C ATOM 602 CG1 VAL A 76 -4.502 17.144 81.325 1.00 22.37 C ATOM 603 CG2 VAL A 76 -2.157 16.824 82.133 1.00 26.24 C ATOM 0 H VAL A 76 -1.128 17.853 79.187 1.00 23.90 H new ATOM 0 HA VAL A 76 -2.782 15.756 79.797 1.00 24.44 H new ATOM 0 HB VAL A 76 -2.877 18.328 80.962 1.00 23.37 H new ATOM 0 HG11 VAL A 76 -4.729 17.564 82.170 1.00 22.37 H new ATOM 0 HG12 VAL A 76 -5.041 17.531 80.617 1.00 22.37 H new ATOM 0 HG13 VAL A 76 -4.678 16.192 81.380 1.00 22.37 H new ATOM 0 HG21 VAL A 76 -2.398 17.245 82.973 1.00 26.24 H new ATOM 0 HG22 VAL A 76 -2.287 15.865 82.203 1.00 26.24 H new ATOM 0 HG23 VAL A 76 -1.226 17.010 81.935 1.00 26.24 H new ATOM 604 N GLU A 77 -4.343 16.569 77.957 1.00 27.47 N ATOM 605 CA GLU A 77 -5.158 17.151 76.911 1.00 30.25 C ATOM 606 C GLU A 77 -6.627 16.976 77.225 1.00 28.96 C ATOM 607 O GLU A 77 -7.022 15.985 77.824 1.00 30.53 O ATOM 608 CB GLU A 77 -4.785 16.545 75.555 1.00 35.62 C ATOM 609 CG GLU A 77 -5.485 15.270 75.198 1.00 46.32 C ATOM 610 CD GLU A 77 -5.719 15.145 73.697 1.00 53.04 C ATOM 611 OE1 GLU A 77 -4.832 15.583 72.920 1.00 54.90 O ATOM 612 OE2 GLU A 77 -6.790 14.612 73.299 1.00 56.80 O ATOM 0 H GLU A 77 -4.461 15.730 78.103 1.00 27.47 H new ATOM 0 HA GLU A 77 -4.986 18.104 76.865 1.00 30.25 H new ATOM 0 HB2 GLU A 77 -4.970 17.201 74.864 1.00 35.62 H new ATOM 0 HB3 GLU A 77 -3.829 16.384 75.544 1.00 35.62 H new ATOM 0 HG2 GLU A 77 -4.958 14.516 75.506 1.00 46.32 H new ATOM 0 HG3 GLU A 77 -6.336 15.229 75.661 1.00 46.32 H new ATOM 613 N SER A 78 -7.427 17.965 76.853 1.00 26.32 N ATOM 614 CA SER A 78 -8.860 17.937 77.102 1.00 25.98 C ATOM 615 C SER A 78 -9.571 18.326 75.812 1.00 27.77 C ATOM 616 O SER A 78 -9.103 19.202 75.088 1.00 28.80 O ATOM 617 CB SER A 78 -9.215 18.925 78.212 1.00 24.41 C ATOM 618 OG SER A 78 -10.575 19.295 78.157 1.00 23.07 O ATOM 0 H SER A 78 -7.154 18.673 76.448 1.00 26.32 H new ATOM 0 HA SER A 78 -9.135 17.050 77.383 1.00 25.98 H new ATOM 0 HB2 SER A 78 -9.021 18.527 79.075 1.00 24.41 H new ATOM 0 HB3 SER A 78 -8.659 19.716 78.133 1.00 24.41 H new ATOM 0 HG SER A 78 -10.671 20.061 78.487 1.00 23.07 H new ATOM 619 N LYS A 79 -10.682 17.660 75.509 1.00 28.28 N ATOM 620 CA LYS A 79 -11.451 17.952 74.296 1.00 28.27 C ATOM 621 C LYS A 79 -12.625 18.870 74.632 1.00 26.59 C ATOM 622 O LYS A 79 -13.446 19.189 73.777 1.00 27.43 O ATOM 623 CB LYS A 79 -11.962 16.650 73.643 1.00 30.22 C ATOM 624 CG LYS A 79 -10.846 15.702 73.129 1.00 36.10 C ATOM 625 CD LYS A 79 -10.256 16.140 71.786 1.00 38.07 C ATOM 626 CE LYS A 79 -10.480 15.091 70.691 1.00 41.46 C ATOM 627 NZ LYS A 79 -9.481 13.977 70.756 1.00 42.68 N ATOM 0 H LYS A 79 -11.011 17.031 75.994 1.00 28.28 H new ATOM 0 HA LYS A 79 -10.868 18.400 73.663 1.00 28.27 H new ATOM 0 HB2 LYS A 79 -12.505 16.171 74.288 1.00 30.22 H new ATOM 0 HB3 LYS A 79 -12.541 16.881 72.900 1.00 30.22 H new ATOM 0 HG2 LYS A 79 -10.136 15.659 73.789 1.00 36.10 H new ATOM 0 HG3 LYS A 79 -11.206 14.806 73.041 1.00 36.10 H new ATOM 0 HD2 LYS A 79 -10.659 16.980 71.515 1.00 38.07 H new ATOM 0 HD3 LYS A 79 -9.305 16.301 71.889 1.00 38.07 H new ATOM 0 HE2 LYS A 79 -11.375 14.725 70.775 1.00 41.46 H new ATOM 0 HE3 LYS A 79 -10.428 15.518 69.822 1.00 41.46 H new ATOM 0 HZ1 LYS A 79 -9.646 13.392 70.106 1.00 42.68 H new ATOM 0 HZ2 LYS A 79 -8.661 14.307 70.656 1.00 42.68 H new ATOM 0 HZ3 LYS A 79 -9.542 13.569 71.544 1.00 42.68 H new ATOM 628 N ASN A 80 -12.703 19.290 75.888 1.00 24.18 N ATOM 629 CA ASN A 80 -13.755 20.191 76.321 1.00 23.59 C ATOM 630 C ASN A 80 -13.519 21.514 75.575 1.00 22.96 C ATOM 631 O ASN A 80 -12.436 22.089 75.646 1.00 22.29 O ATOM 632 CB ASN A 80 -13.646 20.382 77.828 1.00 27.19 C ATOM 633 CG ASN A 80 -14.736 21.257 78.371 1.00 31.55 C ATOM 634 OD1 ASN A 80 -15.797 21.380 77.761 1.00 32.59 O ATOM 635 ND2 ASN A 80 -14.487 21.882 79.523 1.00 32.20 N ATOM 0 H ASN A 80 -12.151 19.062 76.507 1.00 24.18 H new ATOM 0 HA ASN A 80 -14.642 19.850 76.129 1.00 23.59 H new ATOM 0 HB2 ASN A 80 -13.681 19.517 78.265 1.00 27.19 H new ATOM 0 HB3 ASN A 80 -12.784 20.773 78.041 1.00 27.19 H new ATOM 0 HD21 ASN A 80 -15.082 22.397 79.870 1.00 32.20 H new ATOM 0 HD22 ASN A 80 -13.732 21.770 79.919 1.00 32.20 H new ATOM 636 N MET A 81 -14.520 21.998 74.854 1.00 21.73 N ATOM 637 CA MET A 81 -14.330 23.218 74.082 1.00 22.14 C ATOM 638 C MET A 81 -15.452 24.248 74.245 1.00 23.10 C ATOM 639 O MET A 81 -16.322 24.371 73.384 1.00 23.78 O ATOM 640 CB MET A 81 -14.159 22.836 72.605 1.00 20.81 C ATOM 641 CG MET A 81 -13.868 23.985 71.663 1.00 21.21 C ATOM 642 SD MET A 81 -12.342 24.870 72.026 1.00 21.10 S ATOM 643 CE MET A 81 -11.127 23.550 72.022 1.00 21.43 C ATOM 0 H MET A 81 -15.302 21.645 74.797 1.00 21.73 H new ATOM 0 HA MET A 81 -13.536 23.656 74.426 1.00 22.14 H new ATOM 0 HB2 MET A 81 -13.438 22.191 72.536 1.00 20.81 H new ATOM 0 HB3 MET A 81 -14.968 22.391 72.307 1.00 20.81 H new ATOM 0 HG2 MET A 81 -13.824 23.643 70.756 1.00 21.21 H new ATOM 0 HG3 MET A 81 -14.608 24.611 71.694 1.00 21.21 H new ATOM 0 HE1 MET A 81 -10.237 23.930 71.956 1.00 21.43 H new ATOM 0 HE2 MET A 81 -11.201 23.040 72.844 1.00 21.43 H new ATOM 0 HE3 MET A 81 -11.286 22.966 71.264 1.00 21.43 H new ATOM 644 N PRO A 82 -15.427 25.029 75.342 1.00 22.35 N ATOM 645 CA PRO A 82 -16.474 26.035 75.566 1.00 22.34 C ATOM 646 C PRO A 82 -16.347 27.336 74.751 1.00 23.57 C ATOM 647 O PRO A 82 -17.271 28.153 74.733 1.00 23.97 O ATOM 648 CB PRO A 82 -16.395 26.303 77.073 1.00 20.47 C ATOM 649 CG PRO A 82 -14.944 26.081 77.409 1.00 20.73 C ATOM 650 CD PRO A 82 -14.430 25.016 76.436 1.00 22.24 C ATOM 0 HA PRO A 82 -17.330 25.697 75.261 1.00 22.34 H new ATOM 0 HB2 PRO A 82 -16.675 27.207 77.288 1.00 20.47 H new ATOM 0 HB3 PRO A 82 -16.971 25.702 77.571 1.00 20.47 H new ATOM 0 HG2 PRO A 82 -14.439 26.904 77.318 1.00 20.73 H new ATOM 0 HG3 PRO A 82 -14.844 25.786 78.328 1.00 20.73 H new ATOM 0 HD2 PRO A 82 -13.541 25.230 76.111 1.00 22.24 H new ATOM 0 HD3 PRO A 82 -14.376 24.144 76.858 1.00 22.24 H new ATOM 651 N PHE A 83 -15.216 27.545 74.086 1.00 22.69 N ATOM 652 CA PHE A 83 -15.038 28.780 73.324 1.00 23.12 C ATOM 653 C PHE A 83 -15.984 28.850 72.127 1.00 24.84 C ATOM 654 O PHE A 83 -16.214 27.849 71.454 1.00 25.61 O ATOM 655 CB PHE A 83 -13.587 28.912 72.856 1.00 20.99 C ATOM 656 CG PHE A 83 -12.584 29.017 73.986 1.00 18.83 C ATOM 657 CD1 PHE A 83 -11.962 27.879 74.487 1.00 17.41 C ATOM 658 CD2 PHE A 83 -12.233 30.260 74.509 1.00 17.86 C ATOM 659 CE1 PHE A 83 -11.001 27.971 75.493 1.00 17.92 C ATOM 660 CE2 PHE A 83 -11.277 30.366 75.509 1.00 19.08 C ATOM 661 CZ PHE A 83 -10.656 29.215 76.005 1.00 18.88 C ATOM 0 H PHE A 83 -14.552 26.999 74.061 1.00 22.69 H new ATOM 0 HA PHE A 83 -15.253 29.520 73.914 1.00 23.12 H new ATOM 0 HB2 PHE A 83 -13.363 28.145 72.307 1.00 20.99 H new ATOM 0 HB3 PHE A 83 -13.509 29.697 72.292 1.00 20.99 H new ATOM 0 HD1 PHE A 83 -12.190 27.044 74.146 1.00 17.41 H new ATOM 0 HD2 PHE A 83 -12.645 31.028 74.184 1.00 17.86 H new ATOM 0 HE1 PHE A 83 -10.593 27.202 75.820 1.00 17.92 H new ATOM 0 HE2 PHE A 83 -11.049 31.201 75.849 1.00 19.08 H new ATOM 0 HZ PHE A 83 -10.015 29.282 76.675 1.00 18.88 H new ATOM 662 N GLN A 84 -16.515 30.043 71.871 1.00 26.67 N ATOM 663 CA GLN A 84 -17.455 30.282 70.772 1.00 29.36 C ATOM 664 C GLN A 84 -16.783 30.902 69.551 1.00 28.54 C ATOM 665 O GLN A 84 -16.020 31.865 69.667 1.00 26.94 O ATOM 666 CB GLN A 84 -18.567 31.237 71.223 1.00 34.56 C ATOM 667 CG GLN A 84 -19.560 30.646 72.194 1.00 42.98 C ATOM 668 CD GLN A 84 -20.034 29.277 71.754 1.00 48.37 C ATOM 669 OE1 GLN A 84 -20.107 28.989 70.555 1.00 54.08 O ATOM 670 NE2 GLN A 84 -20.354 28.420 72.719 1.00 51.04 N ATOM 0 H GLN A 84 -16.339 30.746 72.334 1.00 26.67 H new ATOM 0 HA GLN A 84 -17.813 29.414 70.528 1.00 29.36 H new ATOM 0 HB2 GLN A 84 -18.159 32.016 71.632 1.00 34.56 H new ATOM 0 HB3 GLN A 84 -19.047 31.547 70.439 1.00 34.56 H new ATOM 0 HG2 GLN A 84 -19.153 30.580 73.072 1.00 42.98 H new ATOM 0 HG3 GLN A 84 -20.322 31.240 72.278 1.00 42.98 H new ATOM 0 HE21 GLN A 84 -20.290 28.657 73.543 1.00 51.04 H new ATOM 0 HE22 GLN A 84 -20.625 27.629 72.519 1.00 51.04 H new ATOM 671 N ASP A 85 -17.096 30.365 68.377 1.00 29.25 N ATOM 672 CA ASP A 85 -16.543 30.878 67.128 1.00 28.56 C ATOM 673 C ASP A 85 -16.815 32.380 66.941 1.00 27.77 C ATOM 674 O ASP A 85 -17.947 32.856 67.074 1.00 28.26 O ATOM 675 CB ASP A 85 -17.131 30.097 65.950 1.00 28.71 C ATOM 676 CG ASP A 85 -16.306 30.237 64.667 1.00 31.05 C ATOM 677 OD1 ASP A 85 -15.470 31.171 64.553 1.00 29.17 O ATOM 678 OD2 ASP A 85 -16.509 29.393 63.765 1.00 31.99 O ATOM 0 H ASP A 85 -17.631 29.698 68.281 1.00 29.25 H new ATOM 0 HA ASP A 85 -15.581 30.760 67.164 1.00 28.56 H new ATOM 0 HB2 ASP A 85 -17.192 29.159 66.189 1.00 28.71 H new ATOM 0 HB3 ASP A 85 -18.035 30.406 65.783 1.00 28.71 H new ATOM 679 N GLY A 86 -15.761 33.122 66.644 1.00 27.14 N ATOM 680 CA GLY A 86 -15.891 34.545 66.413 1.00 28.24 C ATOM 681 C GLY A 86 -16.368 35.402 67.568 1.00 30.27 C ATOM 682 O GLY A 86 -16.694 36.576 67.354 1.00 31.83 O ATOM 0 H GLY A 86 -14.960 32.818 66.572 1.00 27.14 H new ATOM 0 HA2 GLY A 86 -15.027 34.882 66.128 1.00 28.24 H new ATOM 0 HA3 GLY A 86 -16.504 34.673 65.672 1.00 28.24 H new ATOM 683 N GLN A 87 -16.389 34.854 68.785 1.00 29.33 N ATOM 684 CA GLN A 87 -16.855 35.603 69.959 1.00 27.63 C ATOM 685 C GLN A 87 -15.730 36.047 70.885 1.00 26.29 C ATOM 686 O GLN A 87 -14.654 35.443 70.920 1.00 23.82 O ATOM 687 CB GLN A 87 -17.818 34.746 70.801 1.00 31.51 C ATOM 688 CG GLN A 87 -19.181 34.448 70.207 1.00 37.78 C ATOM 689 CD GLN A 87 -19.806 35.658 69.549 1.00 42.85 C ATOM 690 OE1 GLN A 87 -19.936 35.709 68.320 1.00 47.45 O ATOM 691 NE2 GLN A 87 -20.199 36.644 70.358 1.00 45.06 N ATOM 0 H GLN A 87 -16.138 34.049 68.954 1.00 29.33 H new ATOM 0 HA GLN A 87 -17.292 36.390 69.598 1.00 27.63 H new ATOM 0 HB2 GLN A 87 -17.381 33.901 70.990 1.00 31.51 H new ATOM 0 HB3 GLN A 87 -17.952 35.192 71.652 1.00 31.51 H new ATOM 0 HG2 GLN A 87 -19.097 33.736 69.553 1.00 37.78 H new ATOM 0 HG3 GLN A 87 -19.771 34.123 70.906 1.00 37.78 H new ATOM 0 HE21 GLN A 87 -20.092 36.571 71.208 1.00 45.06 H new ATOM 0 HE22 GLN A 87 -20.560 37.352 70.029 1.00 45.06 H new ATOM 692 N GLU A 88 -16.001 37.093 71.656 1.00 25.49 N ATOM 693 CA GLU A 88 -15.049 37.572 72.653 1.00 26.90 C ATOM 694 C GLU A 88 -15.137 36.552 73.803 1.00 24.88 C ATOM 695 O GLU A 88 -16.204 35.992 74.055 1.00 25.49 O ATOM 696 CB GLU A 88 -15.460 38.951 73.163 1.00 30.86 C ATOM 697 CG GLU A 88 -14.593 39.458 74.302 1.00 41.00 C ATOM 698 CD GLU A 88 -14.702 40.963 74.496 1.00 44.83 C ATOM 699 OE1 GLU A 88 -15.831 41.431 74.760 1.00 47.72 O ATOM 700 OE2 GLU A 88 -13.665 41.669 74.384 1.00 47.47 O ATOM 0 H GLU A 88 -16.734 37.542 71.618 1.00 25.49 H new ATOM 0 HA GLU A 88 -14.153 37.652 72.289 1.00 26.90 H new ATOM 0 HB2 GLU A 88 -15.421 39.584 72.429 1.00 30.86 H new ATOM 0 HB3 GLU A 88 -16.383 38.917 73.459 1.00 30.86 H new ATOM 0 HG2 GLU A 88 -14.850 39.010 75.123 1.00 41.00 H new ATOM 0 HG3 GLU A 88 -13.668 39.224 74.128 1.00 41.00 H new ATOM 701 N PHE A 89 -14.035 36.276 74.483 1.00 20.28 N ATOM 702 CA PHE A 89 -14.096 35.309 75.575 1.00 18.76 C ATOM 703 C PHE A 89 -13.475 35.907 76.831 1.00 19.26 C ATOM 704 O PHE A 89 -12.666 36.825 76.747 1.00 18.13 O ATOM 705 CB PHE A 89 -13.350 34.008 75.200 1.00 16.48 C ATOM 706 CG PHE A 89 -11.877 34.207 74.872 1.00 19.95 C ATOM 707 CD1 PHE A 89 -10.944 34.443 75.879 1.00 18.56 C ATOM 708 CD2 PHE A 89 -11.435 34.223 73.547 1.00 20.36 C ATOM 709 CE1 PHE A 89 -9.597 34.705 75.573 1.00 20.10 C ATOM 710 CE2 PHE A 89 -10.086 34.485 73.234 1.00 21.06 C ATOM 711 CZ PHE A 89 -9.167 34.730 74.253 1.00 19.60 C ATOM 0 H PHE A 89 -13.262 36.624 74.337 1.00 20.28 H new ATOM 0 HA PHE A 89 -15.028 35.096 75.741 1.00 18.76 H new ATOM 0 HB2 PHE A 89 -13.425 33.380 75.936 1.00 16.48 H new ATOM 0 HB3 PHE A 89 -13.790 33.604 74.436 1.00 16.48 H new ATOM 0 HD1 PHE A 89 -11.216 34.427 76.768 1.00 18.56 H new ATOM 0 HD2 PHE A 89 -12.040 34.058 72.861 1.00 20.36 H new ATOM 0 HE1 PHE A 89 -8.990 34.863 76.260 1.00 20.10 H new ATOM 0 HE2 PHE A 89 -9.809 34.494 72.346 1.00 21.06 H new ATOM 0 HZ PHE A 89 -8.277 34.908 74.051 1.00 19.60 H new ATOM 712 N GLU A 90 -13.889 35.421 77.997 1.00 19.08 N ATOM 713 CA GLU A 90 -13.278 35.861 79.239 1.00 19.35 C ATOM 714 C GLU A 90 -12.711 34.587 79.870 1.00 17.99 C ATOM 715 O GLU A 90 -13.433 33.617 80.134 1.00 17.69 O ATOM 716 CB GLU A 90 -14.280 36.517 80.178 1.00 22.62 C ATOM 717 CG GLU A 90 -13.638 36.872 81.521 1.00 31.21 C ATOM 718 CD GLU A 90 -14.422 37.911 82.304 1.00 37.04 C ATOM 719 OE1 GLU A 90 -15.247 37.507 83.151 1.00 40.51 O ATOM 720 OE2 GLU A 90 -14.213 39.127 82.075 1.00 40.66 O ATOM 0 H GLU A 90 -14.517 34.841 78.088 1.00 19.08 H new ATOM 0 HA GLU A 90 -12.600 36.535 79.072 1.00 19.35 H new ATOM 0 HB2 GLU A 90 -14.635 37.320 79.765 1.00 22.62 H new ATOM 0 HB3 GLU A 90 -15.029 35.918 80.324 1.00 22.62 H new ATOM 0 HG2 GLU A 90 -13.555 36.067 82.056 1.00 31.21 H new ATOM 0 HG3 GLU A 90 -12.739 37.203 81.366 1.00 31.21 H new ATOM 721 N LEU A 91 -11.402 34.585 80.069 1.00 15.03 N ATOM 722 CA LEU A 91 -10.720 33.440 80.631 1.00 16.82 C ATOM 723 C LEU A 91 -10.221 33.833 82.018 1.00 18.42 C ATOM 724 O LEU A 91 -9.545 34.847 82.185 1.00 18.71 O ATOM 725 CB LEU A 91 -9.561 33.056 79.717 1.00 17.96 C ATOM 726 CG LEU A 91 -8.718 31.823 80.020 1.00 20.84 C ATOM 727 CD1 LEU A 91 -9.497 30.583 79.693 1.00 23.33 C ATOM 728 CD2 LEU A 91 -7.445 31.875 79.189 1.00 22.57 C ATOM 0 H LEU A 91 -10.887 35.248 79.881 1.00 15.03 H new ATOM 0 HA LEU A 91 -11.311 32.674 80.706 1.00 16.82 H new ATOM 0 HB2 LEU A 91 -9.924 32.943 78.825 1.00 17.96 H new ATOM 0 HB3 LEU A 91 -8.958 33.815 79.684 1.00 17.96 H new ATOM 0 HG LEU A 91 -8.488 31.807 80.962 1.00 20.84 H new ATOM 0 HD11 LEU A 91 -8.957 29.801 79.887 1.00 23.33 H new ATOM 0 HD12 LEU A 91 -10.306 30.558 80.228 1.00 23.33 H new ATOM 0 HD13 LEU A 91 -9.732 30.587 78.752 1.00 23.33 H new ATOM 0 HD21 LEU A 91 -6.903 31.093 79.377 1.00 22.57 H new ATOM 0 HD22 LEU A 91 -7.674 31.890 78.247 1.00 22.57 H new ATOM 0 HD23 LEU A 91 -6.945 32.675 79.413 1.00 22.57 H new ATOM 729 N SER A 92 -10.566 33.030 83.014 1.00 17.65 N ATOM 730 CA SER A 92 -10.170 33.305 84.373 1.00 18.18 C ATOM 731 C SER A 92 -9.426 32.113 84.961 1.00 17.53 C ATOM 732 O SER A 92 -9.960 30.999 84.979 1.00 18.82 O ATOM 733 CB SER A 92 -11.422 33.589 85.186 1.00 21.94 C ATOM 734 OG SER A 92 -11.068 33.901 86.510 1.00 28.29 O ATOM 0 H SER A 92 -11.034 32.315 82.916 1.00 17.65 H new ATOM 0 HA SER A 92 -9.576 34.071 84.394 1.00 18.18 H new ATOM 0 HB2 SER A 92 -11.914 34.326 84.791 1.00 21.94 H new ATOM 0 HB3 SER A 92 -12.009 32.817 85.172 1.00 21.94 H new ATOM 0 HG SER A 92 -11.762 34.059 86.956 1.00 28.29 H new ATOM 735 N ILE A 93 -8.200 32.338 85.435 1.00 15.16 N ATOM 736 CA ILE A 93 -7.414 31.257 86.023 1.00 14.80 C ATOM 737 C ILE A 93 -7.200 31.513 87.513 1.00 16.39 C ATOM 738 O ILE A 93 -6.547 32.488 87.889 1.00 16.58 O ATOM 739 CB ILE A 93 -6.069 31.116 85.309 1.00 14.46 C ATOM 740 CG1 ILE A 93 -6.322 30.810 83.837 1.00 14.29 C ATOM 741 CG2 ILE A 93 -5.256 29.996 85.922 1.00 14.44 C ATOM 742 CD1 ILE A 93 -5.277 31.361 82.910 1.00 16.46 C ATOM 0 H ILE A 93 -7.809 33.104 85.425 1.00 15.16 H new ATOM 0 HA ILE A 93 -7.904 30.427 85.915 1.00 14.80 H new ATOM 0 HB ILE A 93 -5.573 31.944 85.400 1.00 14.46 H new ATOM 0 HG12 ILE A 93 -6.370 29.848 83.720 1.00 14.29 H new ATOM 0 HG13 ILE A 93 -7.187 31.170 83.585 1.00 14.29 H new ATOM 0 HG21 ILE A 93 -4.408 29.920 85.458 1.00 14.44 H new ATOM 0 HG22 ILE A 93 -5.096 30.188 86.859 1.00 14.44 H new ATOM 0 HG23 ILE A 93 -5.743 29.161 85.842 1.00 14.44 H new ATOM 0 HD11 ILE A 93 -5.501 31.129 81.995 1.00 16.46 H new ATOM 0 HD12 ILE A 93 -5.241 32.326 82.999 1.00 16.46 H new ATOM 0 HD13 ILE A 93 -4.412 30.984 83.136 1.00 16.46 H new ATOM 743 N SER A 94 -7.765 30.644 88.350 1.00 13.96 N ATOM 744 CA SER A 94 -7.667 30.782 89.805 1.00 16.32 C ATOM 745 C SER A 94 -6.669 29.845 90.451 1.00 14.74 C ATOM 746 O SER A 94 -6.615 28.674 90.106 1.00 15.22 O ATOM 747 CB SER A 94 -9.028 30.539 90.462 1.00 17.91 C ATOM 748 OG SER A 94 -9.843 31.689 90.312 1.00 28.42 O ATOM 0 H SER A 94 -8.216 29.958 88.092 1.00 13.96 H new ATOM 0 HA SER A 94 -7.358 31.690 89.948 1.00 16.32 H new ATOM 0 HB2 SER A 94 -9.460 29.771 90.057 1.00 17.91 H new ATOM 0 HB3 SER A 94 -8.911 30.335 91.403 1.00 17.91 H new ATOM 0 HG SER A 94 -9.420 32.368 90.567 1.00 28.42 H new ATOM 749 N VAL A 95 -5.894 30.359 91.405 1.00 12.49 N ATOM 750 CA VAL A 95 -4.924 29.521 92.090 1.00 14.51 C ATOM 751 C VAL A 95 -5.538 28.953 93.368 1.00 15.80 C ATOM 752 O VAL A 95 -5.763 29.685 94.332 1.00 15.14 O ATOM 753 CB VAL A 95 -3.638 30.308 92.463 1.00 14.21 C ATOM 754 CG1 VAL A 95 -2.564 29.347 92.978 1.00 14.68 C ATOM 755 CG2 VAL A 95 -3.121 31.072 91.244 1.00 15.94 C ATOM 0 H VAL A 95 -5.916 31.179 91.665 1.00 12.49 H new ATOM 0 HA VAL A 95 -4.681 28.806 91.481 1.00 14.51 H new ATOM 0 HB VAL A 95 -3.850 30.943 93.165 1.00 14.21 H new ATOM 0 HG11 VAL A 95 -1.765 29.847 93.208 1.00 14.68 H new ATOM 0 HG12 VAL A 95 -2.893 28.885 93.765 1.00 14.68 H new ATOM 0 HG13 VAL A 95 -2.352 28.699 92.288 1.00 14.68 H new ATOM 0 HG21 VAL A 95 -2.318 31.561 91.485 1.00 15.94 H new ATOM 0 HG22 VAL A 95 -2.917 30.446 90.532 1.00 15.94 H new ATOM 0 HG23 VAL A 95 -3.800 31.695 90.941 1.00 15.94 H new ATOM 756 N LEU A 96 -5.849 27.660 93.347 1.00 17.34 N ATOM 757 CA LEU A 96 -6.392 26.957 94.519 1.00 18.85 C ATOM 758 C LEU A 96 -5.187 26.295 95.215 1.00 20.73 C ATOM 759 O LEU A 96 -4.098 26.177 94.623 1.00 18.82 O ATOM 760 CB LEU A 96 -7.402 25.887 94.093 1.00 17.46 C ATOM 761 CG LEU A 96 -8.565 26.355 93.217 1.00 20.32 C ATOM 762 CD1 LEU A 96 -9.587 25.230 93.075 1.00 18.63 C ATOM 763 CD2 LEU A 96 -9.186 27.598 93.821 1.00 20.11 C ATOM 0 H LEU A 96 -5.753 27.160 92.654 1.00 17.34 H new ATOM 0 HA LEU A 96 -6.857 27.571 95.108 1.00 18.85 H new ATOM 0 HB2 LEU A 96 -6.924 25.191 93.616 1.00 17.46 H new ATOM 0 HB3 LEU A 96 -7.769 25.481 94.894 1.00 17.46 H new ATOM 0 HG LEU A 96 -8.243 26.580 92.330 1.00 20.32 H new ATOM 0 HD11 LEU A 96 -10.323 25.530 92.519 1.00 18.63 H new ATOM 0 HD12 LEU A 96 -9.165 24.459 92.664 1.00 18.63 H new ATOM 0 HD13 LEU A 96 -9.923 24.985 93.951 1.00 18.63 H new ATOM 0 HD21 LEU A 96 -9.924 27.894 93.265 1.00 20.11 H new ATOM 0 HD22 LEU A 96 -9.514 27.396 94.711 1.00 20.11 H new ATOM 0 HD23 LEU A 96 -8.519 28.300 93.874 1.00 20.11 H new ATOM 764 N PRO A 97 -5.356 25.851 96.478 1.00 22.03 N ATOM 765 CA PRO A 97 -4.213 25.226 97.153 1.00 22.27 C ATOM 766 C PRO A 97 -3.632 24.033 96.416 1.00 21.32 C ATOM 767 O PRO A 97 -2.417 23.842 96.395 1.00 23.29 O ATOM 768 CB PRO A 97 -4.771 24.824 98.526 1.00 20.27 C ATOM 769 CG PRO A 97 -5.968 25.678 98.720 1.00 20.84 C ATOM 770 CD PRO A 97 -6.547 25.887 97.349 1.00 22.16 C ATOM 0 HA PRO A 97 -3.463 25.840 97.204 1.00 22.27 H new ATOM 0 HB2 PRO A 97 -5.004 23.883 98.548 1.00 20.27 H new ATOM 0 HB3 PRO A 97 -4.117 24.971 99.227 1.00 20.27 H new ATOM 0 HG2 PRO A 97 -6.610 25.249 99.307 1.00 20.84 H new ATOM 0 HG3 PRO A 97 -5.729 26.524 99.130 1.00 20.84 H new ATOM 0 HD2 PRO A 97 -7.183 25.192 97.118 1.00 22.16 H new ATOM 0 HD3 PRO A 97 -7.016 26.734 97.282 1.00 22.16 H new ATOM 771 N ASP A 98 -4.495 23.247 95.789 1.00 19.95 N ATOM 772 CA ASP A 98 -4.053 22.039 95.105 1.00 21.70 C ATOM 773 C ASP A 98 -3.964 22.117 93.590 1.00 19.72 C ATOM 774 O ASP A 98 -3.388 21.231 92.967 1.00 18.74 O ATOM 775 CB ASP A 98 -4.995 20.875 95.462 1.00 24.74 C ATOM 776 CG ASP A 98 -6.460 21.222 95.237 1.00 29.59 C ATOM 777 OD1 ASP A 98 -7.285 20.300 95.014 1.00 33.71 O ATOM 778 OD2 ASP A 98 -6.790 22.429 95.279 1.00 31.28 O ATOM 0 H ASP A 98 -5.341 23.394 95.747 1.00 19.95 H new ATOM 0 HA ASP A 98 -3.145 21.907 95.418 1.00 21.70 H new ATOM 0 HB2 ASP A 98 -4.763 20.100 94.927 1.00 24.74 H new ATOM 0 HB3 ASP A 98 -4.863 20.629 96.391 1.00 24.74 H new ATOM 779 N LYS A 99 -4.514 23.163 92.992 1.00 17.34 N ATOM 780 CA LYS A 99 -4.494 23.208 91.546 1.00 15.20 C ATOM 781 C LYS A 99 -4.967 24.547 91.019 1.00 14.70 C ATOM 782 O LYS A 99 -5.422 25.395 91.785 1.00 13.96 O ATOM 783 CB LYS A 99 -5.444 22.132 91.024 1.00 13.74 C ATOM 784 CG LYS A 99 -6.896 22.463 91.373 1.00 17.30 C ATOM 785 CD LYS A 99 -7.787 21.226 91.377 1.00 19.63 C ATOM 786 CE LYS A 99 -9.105 21.520 92.074 1.00 21.05 C ATOM 787 NZ LYS A 99 -9.640 20.326 92.802 1.00 19.45 N ATOM 0 H LYS A 99 -4.888 23.829 93.387 1.00 17.34 H new ATOM 0 HA LYS A 99 -3.582 23.065 91.248 1.00 15.20 H new ATOM 0 HB2 LYS A 99 -5.350 22.052 90.062 1.00 13.74 H new ATOM 0 HB3 LYS A 99 -5.205 21.273 91.405 1.00 13.74 H new ATOM 0 HG2 LYS A 99 -6.928 22.885 92.246 1.00 17.30 H new ATOM 0 HG3 LYS A 99 -7.242 23.106 90.734 1.00 17.30 H new ATOM 0 HD2 LYS A 99 -7.954 20.938 90.466 1.00 19.63 H new ATOM 0 HD3 LYS A 99 -7.333 20.496 91.826 1.00 19.63 H new ATOM 0 HE2 LYS A 99 -8.982 22.250 92.701 1.00 21.05 H new ATOM 0 HE3 LYS A 99 -9.756 21.816 91.419 1.00 21.05 H new ATOM 0 HZ1 LYS A 99 -10.450 20.511 93.122 1.00 19.45 H new ATOM 0 HZ2 LYS A 99 -9.693 19.636 92.242 1.00 19.45 H new ATOM 0 HZ3 LYS A 99 -9.096 20.120 93.475 1.00 19.45 H new ATOM 788 N TYR A 100 -4.854 24.710 89.695 1.00 13.62 N ATOM 789 CA TYR A 100 -5.337 25.895 88.999 1.00 12.61 C ATOM 790 C TYR A 100 -6.716 25.466 88.509 1.00 12.68 C ATOM 791 O TYR A 100 -6.912 24.314 88.104 1.00 12.74 O ATOM 792 CB TYR A 100 -4.506 26.223 87.741 1.00 10.77 C ATOM 793 CG TYR A 100 -3.106 26.719 87.992 1.00 9.32 C ATOM 794 CD1 TYR A 100 -2.019 25.865 87.859 1.00 10.78 C ATOM 795 CD2 TYR A 100 -2.875 28.035 88.380 1.00 10.02 C ATOM 796 CE1 TYR A 100 -0.722 26.301 88.116 1.00 10.89 C ATOM 797 CE2 TYR A 100 -1.585 28.493 88.639 1.00 12.23 C ATOM 798 CZ TYR A 100 -0.510 27.617 88.508 1.00 14.17 C ATOM 799 OH TYR A 100 0.774 28.055 88.786 1.00 14.83 O ATOM 0 H TYR A 100 -4.491 24.127 89.177 1.00 13.62 H new ATOM 0 HA TYR A 100 -5.307 26.672 89.579 1.00 12.61 H new ATOM 0 HB2 TYR A 100 -4.455 25.426 87.191 1.00 10.77 H new ATOM 0 HB3 TYR A 100 -4.981 26.893 87.226 1.00 10.77 H new ATOM 0 HD1 TYR A 100 -2.160 24.985 87.593 1.00 10.78 H new ATOM 0 HD2 TYR A 100 -3.594 28.619 88.468 1.00 10.02 H new ATOM 0 HE1 TYR A 100 -0.004 25.717 88.026 1.00 10.89 H new ATOM 0 HE2 TYR A 100 -1.443 29.375 88.897 1.00 12.23 H new ATOM 0 HH TYR A 100 0.752 28.865 89.008 1.00 14.83 H new ATOM 800 N GLN A 101 -7.666 26.388 88.555 1.00 13.83 N ATOM 801 CA GLN A 101 -8.986 26.116 88.038 1.00 14.04 C ATOM 802 C GLN A 101 -9.189 27.174 86.969 1.00 14.33 C ATOM 803 O GLN A 101 -9.038 28.374 87.226 1.00 14.24 O ATOM 804 CB GLN A 101 -10.063 26.262 89.096 1.00 15.47 C ATOM 805 CG GLN A 101 -11.430 26.066 88.472 1.00 20.79 C ATOM 806 CD GLN A 101 -12.516 25.759 89.479 1.00 25.36 C ATOM 807 OE1 GLN A 101 -13.291 24.714 89.213 1.00 25.16 O flip ATOM 808 NE2 GLN A 101 -12.665 26.462 90.478 1.00 23.88 N flip ATOM 0 H GLN A 101 -7.562 27.176 88.883 1.00 13.83 H new ATOM 0 HA GLN A 101 -9.052 25.205 87.712 1.00 14.04 H new ATOM 0 HB2 GLN A 101 -9.925 25.611 89.802 1.00 15.47 H new ATOM 0 HB3 GLN A 101 -10.008 27.140 89.505 1.00 15.47 H new ATOM 0 HG2 GLN A 101 -11.671 26.867 87.981 1.00 20.79 H new ATOM 0 HG3 GLN A 101 -11.383 25.342 87.828 1.00 20.79 H new ATOM 0 HE21 GLN A 101 -12.142 27.131 90.615 1.00 23.88 H new ATOM 0 HE22 GLN A 101 -13.292 26.285 91.039 1.00 23.88 H new ATOM 809 N VAL A 102 -9.531 26.726 85.767 1.00 14.90 N ATOM 810 CA VAL A 102 -9.734 27.625 84.634 1.00 12.90 C ATOM 811 C VAL A 102 -11.202 27.773 84.265 1.00 14.29 C ATOM 812 O VAL A 102 -11.846 26.778 83.926 1.00 15.09 O ATOM 813 CB VAL A 102 -8.985 27.087 83.381 1.00 13.44 C ATOM 814 CG1 VAL A 102 -9.044 28.101 82.234 1.00 12.85 C ATOM 815 CG2 VAL A 102 -7.554 26.762 83.741 1.00 14.37 C ATOM 0 H VAL A 102 -9.652 25.895 85.584 1.00 14.90 H new ATOM 0 HA VAL A 102 -9.389 28.490 84.906 1.00 12.90 H new ATOM 0 HB VAL A 102 -9.422 26.276 83.079 1.00 13.44 H new ATOM 0 HG11 VAL A 102 -8.572 27.747 81.464 1.00 12.85 H new ATOM 0 HG12 VAL A 102 -9.970 28.268 81.997 1.00 12.85 H new ATOM 0 HG13 VAL A 102 -8.628 28.931 82.514 1.00 12.85 H new ATOM 0 HG21 VAL A 102 -7.091 26.427 82.957 1.00 14.37 H new ATOM 0 HG22 VAL A 102 -7.110 27.563 84.060 1.00 14.37 H new ATOM 0 HG23 VAL A 102 -7.541 26.087 84.437 1.00 14.37 H new ATOM 816 N MET A 103 -11.725 28.997 84.334 1.00 13.41 N ATOM 817 CA MET A 103 -13.111 29.274 83.940 1.00 16.09 C ATOM 818 C MET A 103 -13.128 29.976 82.578 1.00 17.12 C ATOM 819 O MET A 103 -12.281 30.823 82.299 1.00 15.81 O ATOM 820 CB MET A 103 -13.791 30.205 84.933 1.00 19.88 C ATOM 821 CG MET A 103 -13.381 29.977 86.348 1.00 27.37 C ATOM 822 SD MET A 103 -14.673 29.073 87.136 1.00 37.71 S ATOM 823 CE MET A 103 -15.915 30.384 87.230 1.00 30.17 C ATOM 0 H MET A 103 -11.291 29.687 84.608 1.00 13.41 H new ATOM 0 HA MET A 103 -13.580 28.425 83.909 1.00 16.09 H new ATOM 0 HB2 MET A 103 -13.592 31.123 84.691 1.00 19.88 H new ATOM 0 HB3 MET A 103 -14.752 30.094 84.862 1.00 19.88 H new ATOM 0 HG2 MET A 103 -12.547 29.483 86.386 1.00 27.37 H new ATOM 0 HG3 MET A 103 -13.231 30.822 86.800 1.00 27.37 H new ATOM 0 HE1 MET A 103 -16.204 30.491 88.150 1.00 30.17 H new ATOM 0 HE2 MET A 103 -15.531 31.217 86.913 1.00 30.17 H new ATOM 0 HE3 MET A 103 -16.677 30.149 86.677 1.00 30.17 H new ATOM 824 N VAL A 104 -14.077 29.612 81.728 1.00 16.55 N ATOM 825 CA VAL A 104 -14.212 30.254 80.431 1.00 17.41 C ATOM 826 C VAL A 104 -15.624 30.800 80.424 1.00 18.12 C ATOM 827 O VAL A 104 -16.591 30.050 80.567 1.00 17.78 O ATOM 828 CB VAL A 104 -14.064 29.271 79.278 1.00 18.37 C ATOM 829 CG1 VAL A 104 -14.244 30.015 77.955 1.00 21.37 C ATOM 830 CG2 VAL A 104 -12.703 28.609 79.330 1.00 18.61 C ATOM 0 H VAL A 104 -14.654 28.994 81.884 1.00 16.55 H new ATOM 0 HA VAL A 104 -13.524 30.927 80.310 1.00 17.41 H new ATOM 0 HB VAL A 104 -14.742 28.581 79.351 1.00 18.37 H new ATOM 0 HG11 VAL A 104 -14.150 29.392 77.218 1.00 21.37 H new ATOM 0 HG12 VAL A 104 -15.126 30.418 77.927 1.00 21.37 H new ATOM 0 HG13 VAL A 104 -13.570 30.708 77.879 1.00 21.37 H new ATOM 0 HG21 VAL A 104 -12.618 27.985 78.592 1.00 18.61 H new ATOM 0 HG22 VAL A 104 -12.011 29.285 79.262 1.00 18.61 H new ATOM 0 HG23 VAL A 104 -12.607 28.132 80.169 1.00 18.61 H new ATOM 831 N ASN A 105 -15.736 32.111 80.284 1.00 19.77 N ATOM 832 CA ASN A 105 -17.031 32.780 80.282 1.00 22.84 C ATOM 833 C ASN A 105 -17.871 32.357 81.488 1.00 24.86 C ATOM 834 O ASN A 105 -19.067 32.094 81.361 1.00 24.34 O ATOM 835 CB ASN A 105 -17.796 32.494 78.980 1.00 24.07 C ATOM 836 CG ASN A 105 -17.036 32.957 77.725 1.00 25.48 C ATOM 837 OD1 ASN A 105 -16.387 34.113 77.807 1.00 26.76 O flip ATOM 838 ND2 ASN A 105 -17.040 32.270 76.701 1.00 23.64 N flip ATOM 0 H ASN A 105 -15.065 32.640 80.187 1.00 19.77 H new ATOM 0 HA ASN A 105 -16.867 33.734 80.341 1.00 22.84 H new ATOM 0 HB2 ASN A 105 -17.969 31.542 78.915 1.00 24.07 H new ATOM 0 HB3 ASN A 105 -18.658 32.938 79.013 1.00 24.07 H new ATOM 0 HD21 ASN A 105 -17.471 31.526 76.684 1.00 23.64 H new ATOM 0 HD22 ASN A 105 -16.611 32.535 76.004 1.00 23.64 H new ATOM 839 N GLY A 106 -17.231 32.280 82.655 1.00 24.96 N ATOM 840 CA GLY A 106 -17.946 31.930 83.867 1.00 25.65 C ATOM 841 C GLY A 106 -18.197 30.465 84.179 1.00 26.44 C ATOM 842 O GLY A 106 -18.816 30.159 85.202 1.00 28.84 O ATOM 0 H GLY A 106 -16.390 32.426 82.760 1.00 24.96 H new ATOM 0 HA2 GLY A 106 -17.457 32.309 84.615 1.00 25.65 H new ATOM 0 HA3 GLY A 106 -18.808 32.374 83.837 1.00 25.65 H new ATOM 843 N GLN A 107 -17.730 29.546 83.346 1.00 23.55 N ATOM 844 CA GLN A 107 -17.974 28.145 83.643 1.00 24.89 C ATOM 845 C GLN A 107 -16.675 27.361 83.855 1.00 23.12 C ATOM 846 O GLN A 107 -15.735 27.501 83.073 1.00 20.96 O ATOM 847 CB GLN A 107 -18.827 27.538 82.516 1.00 30.14 C ATOM 848 CG GLN A 107 -18.284 26.265 81.878 1.00 37.69 C ATOM 849 CD GLN A 107 -19.031 25.885 80.602 1.00 42.05 C ATOM 850 OE1 GLN A 107 -19.697 26.718 79.985 1.00 44.76 O ATOM 851 NE2 GLN A 107 -18.925 24.621 80.207 1.00 44.66 N ATOM 0 H GLN A 107 -17.285 29.704 82.628 1.00 23.55 H new ATOM 0 HA GLN A 107 -18.458 28.084 84.481 1.00 24.89 H new ATOM 0 HB2 GLN A 107 -19.711 27.350 82.869 1.00 30.14 H new ATOM 0 HB3 GLN A 107 -18.935 28.206 81.821 1.00 30.14 H new ATOM 0 HG2 GLN A 107 -17.343 26.385 81.675 1.00 37.69 H new ATOM 0 HG3 GLN A 107 -18.346 25.536 82.515 1.00 37.69 H new ATOM 0 HE21 GLN A 107 -18.451 24.066 80.663 1.00 44.66 H new ATOM 0 HE22 GLN A 107 -19.330 24.357 79.496 1.00 44.66 H new ATOM 852 N SER A 108 -16.608 26.551 84.918 1.00 20.15 N ATOM 853 CA SER A 108 -15.399 25.764 85.178 1.00 19.43 C ATOM 854 C SER A 108 -15.201 24.864 83.968 1.00 19.72 C ATOM 855 O SER A 108 -16.131 24.180 83.547 1.00 21.49 O ATOM 856 CB SER A 108 -15.546 24.907 86.440 1.00 19.70 C ATOM 857 OG SER A 108 -14.324 24.233 86.733 1.00 21.60 O ATOM 0 H SER A 108 -17.241 26.445 85.491 1.00 20.15 H new ATOM 0 HA SER A 108 -14.641 26.353 85.321 1.00 19.43 H new ATOM 0 HB2 SER A 108 -15.800 25.467 87.190 1.00 19.70 H new ATOM 0 HB3 SER A 108 -16.257 24.259 86.316 1.00 19.70 H new ATOM 0 HG SER A 108 -14.072 24.433 87.509 1.00 21.60 H new ATOM 858 N SER A 109 -13.995 24.851 83.411 1.00 17.05 N ATOM 859 CA SER A 109 -13.730 24.054 82.223 1.00 16.03 C ATOM 860 C SER A 109 -12.512 23.156 82.293 1.00 15.97 C ATOM 861 O SER A 109 -12.469 22.135 81.621 1.00 15.68 O ATOM 862 CB SER A 109 -13.593 24.985 81.018 1.00 16.71 C ATOM 863 OG SER A 109 -14.669 25.907 80.976 1.00 18.95 O ATOM 0 H SER A 109 -13.320 25.295 83.705 1.00 17.05 H new ATOM 0 HA SER A 109 -14.488 23.454 82.144 1.00 16.03 H new ATOM 0 HB2 SER A 109 -12.751 25.464 81.067 1.00 16.71 H new ATOM 0 HB3 SER A 109 -13.575 24.464 80.200 1.00 16.71 H new ATOM 0 HG SER A 109 -14.455 26.566 80.501 1.00 18.95 H new ATOM 864 N TYR A 110 -11.510 23.540 83.082 1.00 13.95 N ATOM 865 CA TYR A 110 -10.305 22.739 83.201 1.00 14.14 C ATOM 866 C TYR A 110 -9.650 22.968 84.547 1.00 14.71 C ATOM 867 O TYR A 110 -9.835 24.032 85.156 1.00 14.16 O ATOM 868 CB TYR A 110 -9.264 23.137 82.134 1.00 15.75 C ATOM 869 CG TYR A 110 -9.811 23.427 80.749 1.00 17.43 C ATOM 870 CD1 TYR A 110 -10.211 24.712 80.392 1.00 17.55 C ATOM 871 CD2 TYR A 110 -9.938 22.406 79.798 1.00 18.54 C ATOM 872 CE1 TYR A 110 -10.731 24.975 79.126 1.00 18.31 C ATOM 873 CE2 TYR A 110 -10.458 22.658 78.524 1.00 18.51 C ATOM 874 CZ TYR A 110 -10.853 23.942 78.200 1.00 18.97 C ATOM 875 OH TYR A 110 -11.382 24.196 76.959 1.00 20.55 O ATOM 0 H TYR A 110 -11.512 24.259 83.553 1.00 13.95 H new ATOM 0 HA TYR A 110 -10.572 21.813 83.090 1.00 14.14 H new ATOM 0 HB2 TYR A 110 -8.791 23.924 82.447 1.00 15.75 H new ATOM 0 HB3 TYR A 110 -8.611 22.423 82.062 1.00 15.75 H new ATOM 0 HD1 TYR A 110 -10.130 25.405 81.007 1.00 17.55 H new ATOM 0 HD2 TYR A 110 -9.671 21.543 80.018 1.00 18.54 H new ATOM 0 HE1 TYR A 110 -10.996 25.838 78.900 1.00 18.31 H new ATOM 0 HE2 TYR A 110 -10.537 21.970 77.903 1.00 18.51 H new ATOM 0 HH TYR A 110 -11.683 23.484 76.631 1.00 20.55 H new ATOM 876 N THR A 111 -8.898 21.971 85.013 1.00 15.44 N ATOM 877 CA THR A 111 -8.116 22.126 86.246 1.00 16.65 C ATOM 878 C THR A 111 -6.744 21.482 85.982 1.00 16.31 C ATOM 879 O THR A 111 -6.603 20.635 85.096 1.00 15.63 O ATOM 880 CB THR A 111 -8.813 21.517 87.512 1.00 16.69 C ATOM 881 OG1 THR A 111 -8.820 20.097 87.428 1.00 17.25 O ATOM 882 CG2 THR A 111 -10.242 22.046 87.659 1.00 16.46 C ATOM 0 H THR A 111 -8.825 21.202 84.635 1.00 15.44 H new ATOM 0 HA THR A 111 -8.028 23.069 86.457 1.00 16.65 H new ATOM 0 HB THR A 111 -8.310 21.786 88.296 1.00 16.69 H new ATOM 0 HG1 THR A 111 -8.095 19.795 87.726 1.00 17.25 H new ATOM 0 HG21 THR A 111 -10.652 21.656 88.447 1.00 16.46 H new ATOM 0 HG22 THR A 111 -10.222 23.012 87.749 1.00 16.46 H new ATOM 0 HG23 THR A 111 -10.759 21.806 86.874 1.00 16.46 H new ATOM 883 N PHE A 112 -5.726 21.915 86.721 1.00 14.49 N ATOM 884 CA PHE A 112 -4.373 21.400 86.543 1.00 14.44 C ATOM 885 C PHE A 112 -3.686 21.426 87.912 1.00 15.17 C ATOM 886 O PHE A 112 -3.444 22.497 88.476 1.00 13.99 O ATOM 887 CB PHE A 112 -3.616 22.300 85.555 1.00 13.73 C ATOM 888 CG PHE A 112 -2.225 21.823 85.208 1.00 14.11 C ATOM 889 CD1 PHE A 112 -2.022 20.927 84.172 1.00 14.00 C ATOM 890 CD2 PHE A 112 -1.116 22.330 85.873 1.00 16.33 C ATOM 891 CE1 PHE A 112 -0.749 20.545 83.798 1.00 15.15 C ATOM 892 CE2 PHE A 112 0.182 21.950 85.500 1.00 15.29 C ATOM 893 CZ PHE A 112 0.362 21.059 84.464 1.00 14.77 C ATOM 0 H PHE A 112 -5.800 22.512 87.336 1.00 14.49 H new ATOM 0 HA PHE A 112 -4.386 20.496 86.191 1.00 14.44 H new ATOM 0 HB2 PHE A 112 -4.134 22.371 84.738 1.00 13.73 H new ATOM 0 HB3 PHE A 112 -3.555 23.192 85.930 1.00 13.73 H new ATOM 0 HD1 PHE A 112 -2.756 20.577 83.720 1.00 14.00 H new ATOM 0 HD2 PHE A 112 -1.235 22.929 86.574 1.00 16.33 H new ATOM 0 HE1 PHE A 112 -0.633 19.943 83.099 1.00 15.15 H new ATOM 0 HE2 PHE A 112 0.918 22.298 85.950 1.00 15.29 H new ATOM 0 HZ PHE A 112 1.219 20.802 84.211 1.00 14.77 H new ATOM 894 N ASP A 113 -3.386 20.249 88.446 1.00 14.58 N ATOM 895 CA ASP A 113 -2.743 20.152 89.745 1.00 15.54 C ATOM 896 C ASP A 113 -1.347 20.750 89.703 1.00 15.62 C ATOM 897 O ASP A 113 -0.593 20.513 88.773 1.00 15.51 O ATOM 898 CB ASP A 113 -2.652 18.684 90.175 1.00 19.53 C ATOM 899 CG ASP A 113 -4.015 18.066 90.485 1.00 20.49 C ATOM 900 OD1 ASP A 113 -5.025 18.793 90.561 1.00 22.09 O ATOM 901 OD2 ASP A 113 -4.069 16.834 90.650 1.00 25.87 O ATOM 0 H ASP A 113 -3.548 19.493 88.069 1.00 14.58 H new ATOM 0 HA ASP A 113 -3.277 20.648 90.385 1.00 15.54 H new ATOM 0 HB2 ASP A 113 -2.223 18.172 89.471 1.00 19.53 H new ATOM 0 HB3 ASP A 113 -2.086 18.617 90.960 1.00 19.53 H new ATOM 902 N HIS A 114 -0.994 21.510 90.732 1.00 15.58 N ATOM 903 CA HIS A 114 0.319 22.135 90.804 1.00 15.96 C ATOM 904 C HIS A 114 1.470 21.136 90.734 1.00 16.65 C ATOM 905 O HIS A 114 1.466 20.135 91.443 1.00 18.39 O ATOM 906 CB HIS A 114 0.442 22.942 92.105 1.00 15.48 C ATOM 907 CG HIS A 114 -0.576 24.034 92.242 1.00 15.02 C ATOM 908 ND1 HIS A 114 -0.708 25.048 91.319 1.00 17.33 N ATOM 909 CD2 HIS A 114 -1.492 24.282 93.203 1.00 13.06 C ATOM 910 CE1 HIS A 114 -1.663 25.874 91.708 1.00 15.47 C ATOM 911 NE2 HIS A 114 -2.155 25.430 92.848 1.00 14.52 N ATOM 0 H HIS A 114 -1.505 21.677 91.403 1.00 15.58 H new ATOM 0 HA HIS A 114 0.389 22.712 90.027 1.00 15.96 H new ATOM 0 HB2 HIS A 114 0.358 22.338 92.859 1.00 15.48 H new ATOM 0 HB3 HIS A 114 1.329 23.332 92.151 1.00 15.48 H new ATOM 0 HD2 HIS A 114 -1.645 23.770 93.964 1.00 13.06 H new ATOM 0 HE1 HIS A 114 -1.941 26.638 91.255 1.00 15.47 H new ATOM 0 HE2 HIS A 114 -2.789 25.800 93.296 1.00 14.52 H new ATOM 912 N ARG A 115 2.451 21.412 89.879 1.00 15.83 N ATOM 913 CA ARG A 115 3.633 20.563 89.751 1.00 16.67 C ATOM 914 C ARG A 115 4.805 21.277 90.411 1.00 17.21 C ATOM 915 O ARG A 115 5.739 20.648 90.908 1.00 19.12 O ATOM 916 CB ARG A 115 3.939 20.295 88.282 1.00 16.46 C ATOM 917 CG ARG A 115 2.844 19.472 87.599 1.00 18.06 C ATOM 918 CD ARG A 115 3.175 19.199 86.156 1.00 15.28 C ATOM 919 NE ARG A 115 2.127 18.427 85.501 1.00 16.17 N ATOM 920 CZ ARG A 115 2.167 18.073 84.221 1.00 15.59 C ATOM 921 NH1 ARG A 115 3.199 18.425 83.464 1.00 13.67 N ATOM 922 NH2 ARG A 115 1.183 17.367 83.701 1.00 15.67 N ATOM 0 H ARG A 115 2.451 22.096 89.357 1.00 15.83 H new ATOM 0 HA ARG A 115 3.475 19.709 90.183 1.00 16.67 H new ATOM 0 HB2 ARG A 115 4.043 21.140 87.817 1.00 16.46 H new ATOM 0 HB3 ARG A 115 4.785 19.826 88.211 1.00 16.46 H new ATOM 0 HG2 ARG A 115 2.728 18.632 88.070 1.00 18.06 H new ATOM 0 HG3 ARG A 115 2.000 19.946 87.654 1.00 18.06 H new ATOM 0 HD2 ARG A 115 3.300 20.039 85.687 1.00 15.28 H new ATOM 0 HD3 ARG A 115 4.015 18.717 86.102 1.00 15.28 H new ATOM 0 HE ARG A 115 1.446 18.188 85.968 1.00 16.17 H new ATOM 0 HH11 ARG A 115 3.844 18.883 83.802 1.00 13.67 H new ATOM 0 HH12 ARG A 115 3.223 18.195 82.636 1.00 13.67 H new ATOM 0 HH21 ARG A 115 0.515 17.135 84.190 1.00 15.67 H new ATOM 0 HH22 ARG A 115 1.209 17.138 82.872 1.00 15.67 H new ATOM 923 N ILE A 116 4.719 22.603 90.419 1.00 16.52 N ATOM 924 CA ILE A 116 5.706 23.495 91.014 1.00 15.94 C ATOM 925 C ILE A 116 4.870 24.519 91.797 1.00 17.19 C ATOM 926 O ILE A 116 3.771 24.888 91.370 1.00 16.38 O ATOM 927 CB ILE A 116 6.520 24.220 89.917 1.00 15.39 C ATOM 928 CG1 ILE A 116 7.445 23.225 89.206 1.00 16.31 C ATOM 929 CG2 ILE A 116 7.308 25.379 90.525 1.00 16.74 C ATOM 930 CD1 ILE A 116 8.142 23.816 88.001 1.00 15.82 C ATOM 0 H ILE A 116 4.058 23.023 90.064 1.00 16.52 H new ATOM 0 HA ILE A 116 6.341 23.017 91.570 1.00 15.94 H new ATOM 0 HB ILE A 116 5.912 24.588 89.257 1.00 15.39 H new ATOM 0 HG12 ILE A 116 8.112 22.907 89.834 1.00 16.31 H new ATOM 0 HG13 ILE A 116 6.927 22.454 88.927 1.00 16.31 H new ATOM 0 HG21 ILE A 116 7.814 25.826 89.829 1.00 16.74 H new ATOM 0 HG22 ILE A 116 6.694 26.009 90.933 1.00 16.74 H new ATOM 0 HG23 ILE A 116 7.917 25.038 91.199 1.00 16.74 H new ATOM 0 HD11 ILE A 116 8.711 23.144 87.594 1.00 15.82 H new ATOM 0 HD12 ILE A 116 7.480 24.112 87.357 1.00 15.82 H new ATOM 0 HD13 ILE A 116 8.683 24.572 88.278 1.00 15.82 H new ATOM 931 N LYS A 117 5.367 24.976 92.941 1.00 17.42 N ATOM 932 CA LYS A 117 4.610 25.943 93.733 1.00 18.99 C ATOM 933 C LYS A 117 4.298 27.221 92.930 1.00 19.28 C ATOM 934 O LYS A 117 5.168 27.741 92.213 1.00 18.81 O ATOM 935 CB LYS A 117 5.384 26.305 95.016 1.00 21.70 C ATOM 936 CG LYS A 117 6.788 26.851 94.776 1.00 28.13 C ATOM 937 CD LYS A 117 7.592 27.043 96.070 1.00 32.30 C ATOM 938 CE LYS A 117 9.063 27.385 95.756 1.00 36.67 C ATOM 939 NZ LYS A 117 9.841 27.964 96.909 1.00 38.77 N ATOM 0 H LYS A 117 6.126 24.745 93.273 1.00 17.42 H new ATOM 0 HA LYS A 117 3.766 25.528 93.971 1.00 18.99 H new ATOM 0 HB2 LYS A 117 4.874 26.964 95.513 1.00 21.70 H new ATOM 0 HB3 LYS A 117 5.448 25.515 95.575 1.00 21.70 H new ATOM 0 HG2 LYS A 117 7.269 26.245 94.191 1.00 28.13 H new ATOM 0 HG3 LYS A 117 6.723 27.701 94.313 1.00 28.13 H new ATOM 0 HD2 LYS A 117 7.196 27.753 96.599 1.00 32.30 H new ATOM 0 HD3 LYS A 117 7.551 26.235 96.604 1.00 32.30 H new ATOM 0 HE2 LYS A 117 9.511 26.580 95.453 1.00 36.67 H new ATOM 0 HE3 LYS A 117 9.084 28.016 95.019 1.00 36.67 H new ATOM 0 HZ1 LYS A 117 10.675 28.133 96.649 1.00 38.77 H new ATOM 0 HZ2 LYS A 117 9.455 28.720 97.178 1.00 38.77 H new ATOM 0 HZ3 LYS A 117 9.853 27.382 97.582 1.00 38.77 H new ATOM 940 N PRO A 118 3.050 27.736 93.030 1.00 18.15 N ATOM 941 CA PRO A 118 2.647 28.953 92.315 1.00 17.41 C ATOM 942 C PRO A 118 3.584 30.105 92.634 1.00 18.54 C ATOM 943 O PRO A 118 3.761 31.023 91.831 1.00 17.96 O ATOM 944 CB PRO A 118 1.233 29.231 92.830 1.00 17.48 C ATOM 945 CG PRO A 118 0.746 27.943 93.350 1.00 18.05 C ATOM 946 CD PRO A 118 1.939 27.173 93.819 1.00 17.87 C ATOM 0 HA PRO A 118 2.677 28.849 91.351 1.00 17.41 H new ATOM 0 HB2 PRO A 118 1.241 29.908 93.525 1.00 17.48 H new ATOM 0 HB3 PRO A 118 0.661 29.560 92.119 1.00 17.48 H new ATOM 0 HG2 PRO A 118 0.121 28.083 94.079 1.00 18.05 H new ATOM 0 HG3 PRO A 118 0.272 27.453 92.660 1.00 18.05 H new ATOM 0 HD2 PRO A 118 2.085 27.287 94.771 1.00 17.87 H new ATOM 0 HD3 PRO A 118 1.835 26.222 93.659 1.00 17.87 H new ATOM 947 N GLU A 119 4.191 30.057 93.816 1.00 17.37 N ATOM 948 CA GLU A 119 5.108 31.107 94.235 1.00 17.43 C ATOM 949 C GLU A 119 6.363 31.229 93.348 1.00 16.87 C ATOM 950 O GLU A 119 7.079 32.226 93.425 1.00 16.71 O ATOM 951 CB GLU A 119 5.507 30.871 95.693 1.00 19.34 C ATOM 952 CG GLU A 119 4.382 31.203 96.685 1.00 21.43 C ATOM 953 CD GLU A 119 3.372 30.060 96.851 1.00 26.23 C ATOM 954 OE1 GLU A 119 3.663 28.932 96.394 1.00 24.32 O ATOM 955 OE2 GLU A 119 2.283 30.290 97.443 1.00 29.19 O ATOM 0 H GLU A 119 4.084 29.424 94.389 1.00 17.37 H new ATOM 0 HA GLU A 119 4.637 31.950 94.140 1.00 17.43 H new ATOM 0 HB2 GLU A 119 5.767 29.943 95.806 1.00 19.34 H new ATOM 0 HB3 GLU A 119 6.285 31.411 95.902 1.00 19.34 H new ATOM 0 HG2 GLU A 119 4.771 31.412 97.549 1.00 21.43 H new ATOM 0 HG3 GLU A 119 3.916 31.998 96.383 1.00 21.43 H new ATOM 956 N ALA A 120 6.620 30.226 92.506 1.00 14.55 N ATOM 957 CA ALA A 120 7.780 30.251 91.623 1.00 13.34 C ATOM 958 C ALA A 120 7.532 31.135 90.386 1.00 15.63 C ATOM 959 O ALA A 120 8.480 31.503 89.684 1.00 17.03 O ATOM 960 CB ALA A 120 8.132 28.842 91.183 1.00 10.69 C ATOM 0 H ALA A 120 6.132 29.522 92.433 1.00 14.55 H new ATOM 0 HA ALA A 120 8.521 30.631 92.121 1.00 13.34 H new ATOM 0 HB1 ALA A 120 8.904 28.869 90.597 1.00 10.69 H new ATOM 0 HB2 ALA A 120 8.337 28.301 91.962 1.00 10.69 H new ATOM 0 HB3 ALA A 120 7.380 28.453 90.709 1.00 10.69 H new ATOM 961 N VAL A 121 6.273 31.491 90.128 1.00 13.78 N ATOM 962 CA VAL A 121 5.944 32.306 88.961 1.00 13.12 C ATOM 963 C VAL A 121 6.381 33.765 89.078 1.00 14.77 C ATOM 964 O VAL A 121 6.160 34.400 90.097 1.00 15.34 O ATOM 965 CB VAL A 121 4.429 32.269 88.671 1.00 12.98 C ATOM 966 CG1 VAL A 121 4.107 33.236 87.557 1.00 11.78 C ATOM 967 CG2 VAL A 121 3.990 30.843 88.296 1.00 11.61 C ATOM 0 H VAL A 121 5.599 31.272 90.614 1.00 13.78 H new ATOM 0 HA VAL A 121 6.444 31.909 88.231 1.00 13.12 H new ATOM 0 HB VAL A 121 3.943 32.533 89.468 1.00 12.98 H new ATOM 0 HG11 VAL A 121 3.155 33.213 87.374 1.00 11.78 H new ATOM 0 HG12 VAL A 121 4.364 34.133 87.823 1.00 11.78 H new ATOM 0 HG13 VAL A 121 4.595 32.984 86.758 1.00 11.78 H new ATOM 0 HG21 VAL A 121 3.037 30.834 88.117 1.00 11.61 H new ATOM 0 HG22 VAL A 121 4.470 30.554 87.504 1.00 11.61 H new ATOM 0 HG23 VAL A 121 4.186 30.240 89.030 1.00 11.61 H new ATOM 968 N LYS A 122 6.999 34.298 88.028 1.00 13.25 N ATOM 969 CA LYS A 122 7.437 35.681 88.047 1.00 12.62 C ATOM 970 C LYS A 122 6.918 36.441 86.843 1.00 15.01 C ATOM 971 O LYS A 122 6.957 37.676 86.828 1.00 13.06 O ATOM 972 CB LYS A 122 8.954 35.758 88.035 1.00 14.69 C ATOM 973 CG LYS A 122 9.606 35.140 89.239 1.00 19.85 C ATOM 974 CD LYS A 122 11.043 35.612 89.339 1.00 25.91 C ATOM 975 CE LYS A 122 11.769 34.927 90.489 1.00 31.44 C ATOM 976 NZ LYS A 122 13.134 34.461 90.097 1.00 36.82 N ATOM 0 H LYS A 122 7.172 33.875 87.300 1.00 13.25 H new ATOM 0 HA LYS A 122 7.085 36.080 88.858 1.00 12.62 H new ATOM 0 HB2 LYS A 122 9.285 35.317 87.237 1.00 14.69 H new ATOM 0 HB3 LYS A 122 9.221 36.689 87.976 1.00 14.69 H new ATOM 0 HG2 LYS A 122 9.120 35.383 90.042 1.00 19.85 H new ATOM 0 HG3 LYS A 122 9.578 34.173 89.173 1.00 19.85 H new ATOM 0 HD2 LYS A 122 11.505 35.428 88.506 1.00 25.91 H new ATOM 0 HD3 LYS A 122 11.062 36.573 89.468 1.00 25.91 H new ATOM 0 HE2 LYS A 122 11.841 35.542 91.236 1.00 31.44 H new ATOM 0 HE3 LYS A 122 11.246 34.170 90.794 1.00 31.44 H new ATOM 0 HZ1 LYS A 122 13.525 34.067 90.793 1.00 36.82 H new ATOM 0 HZ2 LYS A 122 13.068 33.880 89.426 1.00 36.82 H new ATOM 0 HZ3 LYS A 122 13.623 35.158 89.838 1.00 36.82 H new ATOM 977 N MET A 123 6.414 35.715 85.840 1.00 14.18 N ATOM 978 CA MET A 123 5.956 36.355 84.607 1.00 12.14 C ATOM 979 C MET A 123 4.864 35.538 83.919 1.00 13.10 C ATOM 980 O MET A 123 4.811 34.321 84.045 1.00 10.85 O ATOM 981 CB MET A 123 7.160 36.518 83.665 1.00 11.91 C ATOM 982 CG MET A 123 6.870 37.164 82.319 1.00 16.28 C ATOM 983 SD MET A 123 6.548 35.923 81.042 1.00 18.19 S ATOM 984 CE MET A 123 8.192 35.661 80.412 1.00 14.20 C ATOM 0 H MET A 123 6.330 34.859 85.855 1.00 14.18 H new ATOM 0 HA MET A 123 5.575 37.220 84.827 1.00 12.14 H new ATOM 0 HB2 MET A 123 7.834 37.047 84.119 1.00 11.91 H new ATOM 0 HB3 MET A 123 7.546 35.642 83.507 1.00 11.91 H new ATOM 0 HG2 MET A 123 6.103 37.753 82.400 1.00 16.28 H new ATOM 0 HG3 MET A 123 7.624 37.714 82.054 1.00 16.28 H new ATOM 0 HE1 MET A 123 8.165 35.001 79.702 1.00 14.20 H new ATOM 0 HE2 MET A 123 8.542 36.496 80.064 1.00 14.20 H new ATOM 0 HE3 MET A 123 8.766 35.344 81.127 1.00 14.20 H new ATOM 985 N VAL A 124 3.983 36.231 83.210 1.00 11.95 N ATOM 986 CA VAL A 124 2.910 35.572 82.471 1.00 11.71 C ATOM 987 C VAL A 124 2.946 36.128 81.034 1.00 13.84 C ATOM 988 O VAL A 124 3.013 37.356 80.827 1.00 12.60 O ATOM 989 CB VAL A 124 1.535 35.878 83.074 1.00 10.84 C ATOM 990 CG1 VAL A 124 0.439 35.324 82.169 1.00 11.70 C ATOM 991 CG2 VAL A 124 1.433 35.281 84.464 1.00 11.42 C ATOM 0 H VAL A 124 3.988 37.088 83.142 1.00 11.95 H new ATOM 0 HA VAL A 124 3.042 34.612 82.502 1.00 11.71 H new ATOM 0 HB VAL A 124 1.423 36.839 83.144 1.00 10.84 H new ATOM 0 HG11 VAL A 124 -0.429 35.520 82.555 1.00 11.70 H new ATOM 0 HG12 VAL A 124 0.504 35.736 81.293 1.00 11.70 H new ATOM 0 HG13 VAL A 124 0.545 34.364 82.083 1.00 11.70 H new ATOM 0 HG21 VAL A 124 0.560 35.479 84.838 1.00 11.42 H new ATOM 0 HG22 VAL A 124 1.552 34.320 84.413 1.00 11.42 H new ATOM 0 HG23 VAL A 124 2.122 35.662 85.031 1.00 11.42 H new ATOM 992 N GLN A 125 2.928 35.231 80.050 1.00 12.96 N ATOM 993 CA GLN A 125 2.931 35.651 78.652 1.00 13.40 C ATOM 994 C GLN A 125 1.700 35.094 77.950 1.00 13.71 C ATOM 995 O GLN A 125 1.396 33.902 78.076 1.00 12.74 O ATOM 996 CB GLN A 125 4.170 35.144 77.935 1.00 14.18 C ATOM 997 CG GLN A 125 4.180 35.539 76.467 1.00 18.30 C ATOM 998 CD GLN A 125 5.561 35.447 75.862 1.00 21.06 C ATOM 999 OE1 GLN A 125 6.099 34.364 75.701 1.00 20.19 O ATOM 1000 NE2 GLN A 125 6.141 36.593 75.520 1.00 24.04 N ATOM 0 H GLN A 125 2.914 34.380 80.170 1.00 12.96 H new ATOM 0 HA GLN A 125 2.926 36.621 78.628 1.00 13.40 H new ATOM 0 HB2 GLN A 125 4.962 35.498 78.370 1.00 14.18 H new ATOM 0 HB3 GLN A 125 4.213 34.178 78.009 1.00 14.18 H new ATOM 0 HG2 GLN A 125 3.574 34.964 75.975 1.00 18.30 H new ATOM 0 HG3 GLN A 125 3.848 36.446 76.375 1.00 18.30 H new ATOM 0 HE21 GLN A 125 5.731 37.338 75.649 1.00 24.04 H new ATOM 0 HE22 GLN A 125 6.927 36.590 75.170 1.00 24.04 H new ATOM 1001 N VAL A 126 0.986 35.958 77.231 1.00 11.85 N ATOM 1002 CA VAL A 126 -0.214 35.550 76.503 1.00 11.28 C ATOM 1003 C VAL A 126 0.086 35.810 75.031 1.00 11.64 C ATOM 1004 O VAL A 126 0.475 36.913 74.650 1.00 11.67 O ATOM 1005 CB VAL A 126 -1.423 36.398 76.901 1.00 12.43 C ATOM 1006 CG1 VAL A 126 -2.642 35.948 76.098 1.00 14.45 C ATOM 1007 CG2 VAL A 126 -1.690 36.272 78.397 1.00 14.38 C ATOM 0 H VAL A 126 1.182 36.792 77.152 1.00 11.85 H new ATOM 0 HA VAL A 126 -0.424 34.623 76.694 1.00 11.28 H new ATOM 0 HB VAL A 126 -1.240 37.330 76.706 1.00 12.43 H new ATOM 0 HG11 VAL A 126 -3.411 36.484 76.348 1.00 14.45 H new ATOM 0 HG12 VAL A 126 -2.465 36.060 75.151 1.00 14.45 H new ATOM 0 HG13 VAL A 126 -2.826 35.014 76.284 1.00 14.45 H new ATOM 0 HG21 VAL A 126 -2.458 36.814 78.636 1.00 14.38 H new ATOM 0 HG22 VAL A 126 -1.868 35.344 78.617 1.00 14.38 H new ATOM 0 HG23 VAL A 126 -0.913 36.577 78.891 1.00 14.38 H new ATOM 1008 N TRP A 127 -0.076 34.803 74.197 1.00 10.84 N ATOM 1009 CA TRP A 127 0.225 35.020 72.801 1.00 10.29 C ATOM 1010 C TRP A 127 -0.529 34.085 71.857 1.00 12.00 C ATOM 1011 O TRP A 127 -1.465 33.385 72.270 1.00 11.54 O ATOM 1012 CB TRP A 127 1.740 34.940 72.593 1.00 9.72 C ATOM 1013 CG TRP A 127 2.371 33.625 72.970 1.00 10.92 C ATOM 1014 CD1 TRP A 127 2.341 33.010 74.194 1.00 10.96 C ATOM 1015 CD2 TRP A 127 3.164 32.787 72.122 1.00 11.96 C ATOM 1016 NE1 TRP A 127 3.068 31.842 74.162 1.00 12.24 N ATOM 1017 CE2 TRP A 127 3.586 31.679 72.904 1.00 11.53 C ATOM 1018 CE3 TRP A 127 3.563 32.865 70.774 1.00 10.71 C ATOM 1019 CZ2 TRP A 127 4.386 30.653 72.381 1.00 12.18 C ATOM 1020 CZ3 TRP A 127 4.360 31.844 70.248 1.00 11.50 C ATOM 1021 CH2 TRP A 127 4.761 30.752 71.051 1.00 14.55 C ATOM 0 H TRP A 127 -0.349 34.015 74.407 1.00 10.84 H new ATOM 0 HA TRP A 127 -0.088 35.908 72.569 1.00 10.29 H new ATOM 0 HB2 TRP A 127 1.934 35.119 71.660 1.00 9.72 H new ATOM 0 HB3 TRP A 127 2.161 35.644 73.111 1.00 9.72 H new ATOM 0 HD1 TRP A 127 1.893 33.336 74.941 1.00 10.96 H new ATOM 0 HE1 TRP A 127 3.179 31.303 74.823 1.00 12.24 H new ATOM 0 HE3 TRP A 127 3.301 33.582 70.243 1.00 10.71 H new ATOM 0 HZ2 TRP A 127 4.654 29.934 72.906 1.00 12.18 H new ATOM 0 HZ3 TRP A 127 4.630 31.884 69.359 1.00 11.50 H new ATOM 0 HH2 TRP A 127 5.289 30.084 70.678 1.00 14.55 H new ATOM 1022 N ARG A 128 -0.106 34.101 70.593 1.00 11.80 N ATOM 1023 CA ARG A 128 -0.691 33.347 69.480 1.00 11.18 C ATOM 1024 C ARG A 128 -1.780 34.184 68.792 1.00 12.75 C ATOM 1025 O ARG A 128 -1.752 35.411 68.889 1.00 12.29 O ATOM 1026 CB ARG A 128 -1.215 31.970 69.890 1.00 12.08 C ATOM 1027 CG ARG A 128 -0.135 31.080 70.499 1.00 15.23 C ATOM 1028 CD ARG A 128 0.557 30.198 69.516 1.00 14.94 C ATOM 1029 NE ARG A 128 1.401 29.205 70.193 1.00 16.11 N ATOM 1030 CZ ARG A 128 2.512 28.681 69.672 1.00 15.30 C ATOM 1031 NH1 ARG A 128 2.918 29.055 68.469 1.00 13.43 N ATOM 1032 NH2 ARG A 128 3.213 27.768 70.340 1.00 12.47 N ATOM 0 H ARG A 128 0.566 34.578 70.347 1.00 11.80 H new ATOM 0 HA ARG A 128 0.023 33.173 68.846 1.00 11.18 H new ATOM 0 HB2 ARG A 128 -1.935 32.081 70.530 1.00 12.08 H new ATOM 0 HB3 ARG A 128 -1.592 31.528 69.113 1.00 12.08 H new ATOM 0 HG2 ARG A 128 0.525 31.642 70.935 1.00 15.23 H new ATOM 0 HG3 ARG A 128 -0.536 30.527 71.188 1.00 15.23 H new ATOM 0 HD2 ARG A 128 -0.101 29.745 68.965 1.00 14.94 H new ATOM 0 HD3 ARG A 128 1.102 30.737 68.922 1.00 14.94 H new ATOM 0 HE ARG A 128 1.163 28.944 70.977 1.00 16.11 H new ATOM 0 HH11 ARG A 128 2.466 29.635 68.024 1.00 13.43 H new ATOM 0 HH12 ARG A 128 3.634 28.718 68.133 1.00 13.43 H new ATOM 0 HH21 ARG A 128 2.951 27.509 71.117 1.00 12.47 H new ATOM 0 HH22 ARG A 128 3.928 27.437 69.994 1.00 12.47 H new ATOM 1033 N ASP A 129 -2.741 33.541 68.134 1.00 11.29 N ATOM 1034 CA ASP A 129 -3.744 34.246 67.311 1.00 12.36 C ATOM 1035 C ASP A 129 -4.959 34.941 67.923 1.00 12.01 C ATOM 1036 O ASP A 129 -6.106 34.642 67.562 1.00 12.34 O ATOM 1037 CB ASP A 129 -4.192 33.279 66.197 1.00 13.13 C ATOM 1038 CG ASP A 129 -3.022 32.445 65.653 1.00 14.11 C ATOM 1039 OD1 ASP A 129 -2.098 33.037 65.039 1.00 16.07 O ATOM 1040 OD2 ASP A 129 -3.002 31.211 65.845 1.00 13.84 O ATOM 0 H ASP A 129 -2.836 32.686 68.147 1.00 11.29 H new ATOM 0 HA ASP A 129 -3.252 35.032 67.026 1.00 12.36 H new ATOM 0 HB2 ASP A 129 -4.878 32.686 66.541 1.00 13.13 H new ATOM 0 HB3 ASP A 129 -4.592 33.785 65.472 1.00 13.13 H new ATOM 1041 N ILE A 130 -4.702 35.913 68.800 1.00 12.66 N ATOM 1042 CA ILE A 130 -5.771 36.645 69.480 1.00 13.28 C ATOM 1043 C ILE A 130 -5.467 38.122 69.618 1.00 12.49 C ATOM 1044 O ILE A 130 -4.330 38.544 69.510 1.00 12.53 O ATOM 1045 CB ILE A 130 -5.979 36.138 70.949 1.00 13.67 C ATOM 1046 CG1 ILE A 130 -4.645 36.214 71.694 1.00 15.66 C ATOM 1047 CG2 ILE A 130 -6.484 34.686 70.976 1.00 13.06 C ATOM 1048 CD1 ILE A 130 -4.776 36.639 73.109 1.00 19.71 C ATOM 0 H ILE A 130 -3.909 36.165 69.016 1.00 12.66 H new ATOM 0 HA ILE A 130 -6.554 36.496 68.928 1.00 13.28 H new ATOM 0 HB ILE A 130 -6.645 36.701 71.375 1.00 13.67 H new ATOM 0 HG12 ILE A 130 -4.217 35.344 71.664 1.00 15.66 H new ATOM 0 HG13 ILE A 130 -4.060 36.834 71.231 1.00 15.66 H new ATOM 0 HG21 ILE A 130 -6.603 34.402 71.896 1.00 13.06 H new ATOM 0 HG22 ILE A 130 -7.332 34.629 70.508 1.00 13.06 H new ATOM 0 HG23 ILE A 130 -5.836 34.110 70.541 1.00 13.06 H new ATOM 0 HD11 ILE A 130 -3.898 36.666 73.521 1.00 19.71 H new ATOM 0 HD12 ILE A 130 -5.178 37.521 73.146 1.00 19.71 H new ATOM 0 HD13 ILE A 130 -5.337 36.008 73.586 1.00 19.71 H new ATOM 1049 N SER A 131 -6.519 38.899 69.844 1.00 15.11 N ATOM 1050 CA SER A 131 -6.377 40.317 70.139 1.00 18.18 C ATOM 1051 C SER A 131 -6.696 40.300 71.645 1.00 18.16 C ATOM 1052 O SER A 131 -7.554 39.530 72.111 1.00 20.98 O ATOM 1053 CB SER A 131 -7.398 41.176 69.382 1.00 18.67 C ATOM 1054 OG SER A 131 -8.705 40.649 69.517 1.00 22.93 O ATOM 0 H SER A 131 -7.332 38.620 69.831 1.00 15.11 H new ATOM 0 HA SER A 131 -5.519 40.693 69.889 1.00 18.18 H new ATOM 0 HB2 SER A 131 -7.376 42.085 69.721 1.00 18.67 H new ATOM 0 HB3 SER A 131 -7.158 41.217 68.443 1.00 18.67 H new ATOM 0 HG SER A 131 -9.248 41.134 69.097 1.00 22.93 H new ATOM 1055 N LEU A 132 -6.000 41.126 72.401 1.00 17.51 N ATOM 1056 CA LEU A 132 -6.158 41.172 73.839 1.00 19.29 C ATOM 1057 C LEU A 132 -6.797 42.478 74.279 1.00 21.33 C ATOM 1058 O LEU A 132 -6.247 43.548 74.024 1.00 21.23 O ATOM 1059 CB LEU A 132 -4.776 41.050 74.456 1.00 20.60 C ATOM 1060 CG LEU A 132 -4.634 40.483 75.851 1.00 23.66 C ATOM 1061 CD1 LEU A 132 -5.397 39.169 75.938 1.00 25.96 C ATOM 1062 CD2 LEU A 132 -3.164 40.299 76.153 1.00 23.73 C ATOM 0 H LEU A 132 -5.419 41.680 72.093 1.00 17.51 H new ATOM 0 HA LEU A 132 -6.737 40.449 74.127 1.00 19.29 H new ATOM 0 HB2 LEU A 132 -4.240 40.501 73.863 1.00 20.60 H new ATOM 0 HB3 LEU A 132 -4.379 41.935 74.460 1.00 20.60 H new ATOM 0 HG LEU A 132 -5.008 41.088 76.511 1.00 23.66 H new ATOM 0 HD11 LEU A 132 -5.309 38.802 76.831 1.00 25.96 H new ATOM 0 HD12 LEU A 132 -6.335 39.326 75.745 1.00 25.96 H new ATOM 0 HD13 LEU A 132 -5.035 38.541 75.293 1.00 25.96 H new ATOM 0 HD21 LEU A 132 -3.060 39.935 77.046 1.00 23.73 H new ATOM 0 HD22 LEU A 132 -2.775 39.688 75.508 1.00 23.73 H new ATOM 0 HD23 LEU A 132 -2.713 41.156 76.099 1.00 23.73 H new ATOM 1063 N THR A 133 -7.947 42.421 74.940 1.00 21.39 N ATOM 1064 CA THR A 133 -8.558 43.671 75.369 1.00 23.32 C ATOM 1065 C THR A 133 -8.302 43.958 76.844 1.00 23.50 C ATOM 1066 O THR A 133 -8.280 45.118 77.252 1.00 23.54 O ATOM 1067 CB THR A 133 -10.068 43.691 75.091 1.00 23.33 C ATOM 1068 OG1 THR A 133 -10.725 42.761 75.950 1.00 28.52 O ATOM 1069 CG2 THR A 133 -10.340 43.282 73.672 1.00 25.10 C ATOM 0 H THR A 133 -8.374 41.703 75.143 1.00 21.39 H new ATOM 0 HA THR A 133 -8.137 44.370 74.845 1.00 23.32 H new ATOM 0 HB THR A 133 -10.396 44.591 75.246 1.00 23.33 H new ATOM 0 HG1 THR A 133 -10.271 42.056 76.000 1.00 28.52 H new ATOM 0 HG21 THR A 133 -11.296 43.298 73.508 1.00 25.10 H new ATOM 0 HG22 THR A 133 -9.898 43.898 73.067 1.00 25.10 H new ATOM 0 HG23 THR A 133 -10.002 42.385 73.523 1.00 25.10 H new ATOM 1070 N LYS A 134 -8.066 42.918 77.639 1.00 22.72 N ATOM 1071 CA LYS A 134 -7.823 43.111 79.072 1.00 22.66 C ATOM 1072 C LYS A 134 -6.997 42.014 79.730 1.00 19.66 C ATOM 1073 O LYS A 134 -7.159 40.836 79.421 1.00 19.23 O ATOM 1074 CB LYS A 134 -9.167 43.207 79.809 1.00 27.42 C ATOM 1075 CG LYS A 134 -9.149 44.093 81.044 1.00 34.46 C ATOM 1076 CD LYS A 134 -10.378 43.849 81.907 1.00 41.55 C ATOM 1077 CE LYS A 134 -10.286 44.600 83.234 1.00 45.70 C ATOM 1078 NZ LYS A 134 -10.236 43.672 84.410 1.00 49.52 N ATOM 0 H LYS A 134 -8.042 42.100 77.375 1.00 22.72 H new ATOM 0 HA LYS A 134 -7.306 43.929 79.140 1.00 22.66 H new ATOM 0 HB2 LYS A 134 -9.837 43.544 79.193 1.00 27.42 H new ATOM 0 HB3 LYS A 134 -9.444 42.315 80.069 1.00 27.42 H new ATOM 0 HG2 LYS A 134 -8.347 43.918 81.560 1.00 34.46 H new ATOM 0 HG3 LYS A 134 -9.117 45.025 80.777 1.00 34.46 H new ATOM 0 HD2 LYS A 134 -11.173 44.132 81.428 1.00 41.55 H new ATOM 0 HD3 LYS A 134 -10.472 42.899 82.077 1.00 41.55 H new ATOM 0 HE2 LYS A 134 -9.494 45.160 83.232 1.00 45.70 H new ATOM 0 HE3 LYS A 134 -11.050 45.191 83.323 1.00 45.70 H new ATOM 0 HZ1 LYS A 134 -10.183 44.147 85.161 1.00 49.52 H new ATOM 0 HZ2 LYS A 134 -10.973 43.173 84.426 1.00 49.52 H new ATOM 0 HZ3 LYS A 134 -9.522 43.144 84.342 1.00 49.52 H new ATOM 1079 N PHE A 135 -6.110 42.411 80.637 1.00 18.38 N ATOM 1080 CA PHE A 135 -5.281 41.470 81.395 1.00 16.84 C ATOM 1081 C PHE A 135 -5.152 41.981 82.829 1.00 18.06 C ATOM 1082 O PHE A 135 -4.724 43.103 83.077 1.00 16.55 O ATOM 1083 CB PHE A 135 -3.883 41.318 80.789 1.00 15.89 C ATOM 1084 CG PHE A 135 -2.995 40.367 81.547 1.00 13.90 C ATOM 1085 CD1 PHE A 135 -2.956 39.020 81.207 1.00 13.44 C ATOM 1086 CD2 PHE A 135 -2.216 40.818 82.614 1.00 13.52 C ATOM 1087 CE1 PHE A 135 -2.155 38.128 81.923 1.00 14.87 C ATOM 1088 CE2 PHE A 135 -1.407 39.947 83.339 1.00 13.10 C ATOM 1089 CZ PHE A 135 -1.374 38.592 82.996 1.00 15.20 C ATOM 0 H PHE A 135 -5.969 43.236 80.833 1.00 18.38 H new ATOM 0 HA PHE A 135 -5.709 40.600 81.370 1.00 16.84 H new ATOM 0 HB2 PHE A 135 -3.968 41.009 79.874 1.00 15.89 H new ATOM 0 HB3 PHE A 135 -3.457 42.189 80.756 1.00 15.89 H new ATOM 0 HD1 PHE A 135 -3.468 38.710 80.496 1.00 13.44 H new ATOM 0 HD2 PHE A 135 -2.238 41.719 82.845 1.00 13.52 H new ATOM 0 HE1 PHE A 135 -2.138 37.228 81.690 1.00 14.87 H new ATOM 0 HE2 PHE A 135 -0.893 40.264 84.046 1.00 13.10 H new ATOM 0 HZ PHE A 135 -0.839 38.001 83.475 1.00 15.20 H new ATOM 1090 N ASN A 136 -5.530 41.148 83.781 1.00 20.27 N ATOM 1091 CA ASN A 136 -5.459 41.560 85.167 1.00 22.40 C ATOM 1092 C ASN A 136 -5.105 40.428 86.131 1.00 21.68 C ATOM 1093 O ASN A 136 -5.589 39.309 85.990 1.00 19.29 O ATOM 1094 CB ASN A 136 -6.787 42.190 85.581 1.00 25.75 C ATOM 1095 CG ASN A 136 -6.776 42.614 87.020 1.00 34.63 C ATOM 1096 OD1 ASN A 136 -7.170 41.849 87.906 1.00 38.09 O ATOM 1097 ND2 ASN A 136 -6.289 43.830 87.278 1.00 37.04 N ATOM 0 H ASN A 136 -5.826 40.352 83.649 1.00 20.27 H new ATOM 0 HA ASN A 136 -4.736 42.204 85.225 1.00 22.40 H new ATOM 0 HB2 ASN A 136 -6.970 42.959 85.018 1.00 25.75 H new ATOM 0 HB3 ASN A 136 -7.506 41.555 85.436 1.00 25.75 H new ATOM 0 HD21 ASN A 136 -6.240 44.110 88.090 1.00 37.04 H new ATOM 0 HD22 ASN A 136 -6.025 44.333 86.633 1.00 37.04 H new ATOM 1098 N VAL A 137 -4.233 40.732 87.090 1.00 22.16 N ATOM 1099 CA VAL A 137 -3.820 39.768 88.109 1.00 24.77 C ATOM 1100 C VAL A 137 -4.310 40.349 89.438 1.00 29.31 C ATOM 1101 O VAL A 137 -4.009 41.505 89.759 1.00 28.45 O ATOM 1102 CB VAL A 137 -2.276 39.617 88.171 1.00 23.00 C ATOM 1103 CG1 VAL A 137 -1.881 38.748 89.360 1.00 21.18 C ATOM 1104 CG2 VAL A 137 -1.753 39.023 86.873 1.00 20.41 C ATOM 0 H VAL A 137 -3.863 41.505 87.168 1.00 22.16 H new ATOM 0 HA VAL A 137 -4.185 38.891 87.912 1.00 24.77 H new ATOM 0 HB VAL A 137 -1.878 40.494 88.287 1.00 23.00 H new ATOM 0 HG11 VAL A 137 -0.915 38.660 89.390 1.00 21.18 H new ATOM 0 HG12 VAL A 137 -2.193 39.161 90.180 1.00 21.18 H new ATOM 0 HG13 VAL A 137 -2.283 37.870 89.267 1.00 21.18 H new ATOM 0 HG21 VAL A 137 -0.788 38.933 86.923 1.00 20.41 H new ATOM 0 HG22 VAL A 137 -2.151 38.150 86.733 1.00 20.41 H new ATOM 0 HG23 VAL A 137 -1.985 39.606 86.133 1.00 20.41 H new ATOM 1105 N SER A 138 -5.081 39.574 90.193 1.00 31.06 N ATOM 1106 CA SER A 138 -5.583 40.053 91.477 1.00 39.45 C ATOM 1107 C SER A 138 -4.531 39.863 92.585 1.00 46.27 C ATOM 1108 O SER A 138 -4.015 38.751 92.788 1.00 47.98 O ATOM 1109 CB SER A 138 -6.842 39.300 91.877 1.00 36.68 C ATOM 1110 OG SER A 138 -6.471 38.114 92.558 1.00 35.77 O ATOM 0 H SER A 138 -5.323 38.776 89.984 1.00 31.06 H new ATOM 0 HA SER A 138 -5.782 40.997 91.374 1.00 39.45 H new ATOM 0 HB2 SER A 138 -7.397 39.854 92.447 1.00 36.68 H new ATOM 0 HB3 SER A 138 -7.368 39.085 91.091 1.00 36.68 H new ATOM 0 HG SER A 138 -5.651 37.971 92.445 1.00 35.77 H new ATOM 1111 N TYR A 139 -4.226 40.957 93.292 1.00 51.80 N ATOM 1112 CA TYR A 139 -3.258 40.972 94.402 1.00 55.36 C ATOM 1113 C TYR A 139 -4.032 41.305 95.690 1.00 57.69 C ATOM 1114 O TYR A 139 -3.656 42.201 96.460 1.00 58.44 O ATOM 1115 CB TYR A 139 -2.168 42.026 94.135 1.00 53.44 C ATOM 1116 CG TYR A 139 -1.269 41.679 92.962 1.00 53.41 C ATOM 1117 CD1 TYR A 139 -0.333 40.643 93.060 1.00 52.30 C ATOM 1118 CD2 TYR A 139 -1.361 42.376 91.746 1.00 52.96 C ATOM 1119 CE1 TYR A 139 0.494 40.304 91.977 1.00 51.98 C ATOM 1120 CE2 TYR A 139 -0.538 42.046 90.653 1.00 52.46 C ATOM 1121 CZ TYR A 139 0.385 41.006 90.780 1.00 52.04 C ATOM 1122 OH TYR A 139 1.187 40.654 89.717 1.00 52.10 O ATOM 0 H TYR A 139 -4.581 41.725 93.139 1.00 51.80 H new ATOM 0 HA TYR A 139 -2.821 40.111 94.489 1.00 55.36 H new ATOM 0 HB2 TYR A 139 -2.590 42.883 93.968 1.00 53.44 H new ATOM 0 HB3 TYR A 139 -1.624 42.128 94.932 1.00 53.44 H new ATOM 0 HD1 TYR A 139 -0.257 40.170 93.857 1.00 52.30 H new ATOM 0 HD2 TYR A 139 -1.977 43.068 91.662 1.00 52.96 H new ATOM 0 HE1 TYR A 139 1.112 39.614 92.059 1.00 51.98 H new ATOM 0 HE2 TYR A 139 -0.608 42.516 89.854 1.00 52.46 H new ATOM 0 HH TYR A 139 1.267 41.309 89.197 1.00 52.10 H new ATOM 1123 N LEU A 140 -5.116 40.552 95.889 1.00 59.74 N ATOM 1124 CA LEU A 140 -6.044 40.680 97.015 1.00 61.09 C ATOM 1125 C LEU A 140 -5.589 40.037 98.338 1.00 63.49 C ATOM 1126 O LEU A 140 -5.664 40.668 99.403 1.00 61.52 O ATOM 1127 CB LEU A 140 -7.408 40.078 96.616 1.00 58.71 C ATOM 1128 CG LEU A 140 -7.459 38.998 95.513 1.00 56.16 C ATOM 1129 CD1 LEU A 140 -6.296 38.027 95.633 1.00 52.58 C ATOM 1130 CD2 LEU A 140 -8.773 38.241 95.605 1.00 54.92 C ATOM 0 H LEU A 140 -5.340 39.924 95.346 1.00 59.74 H new ATOM 0 HA LEU A 140 -6.092 41.632 97.194 1.00 61.09 H new ATOM 0 HB2 LEU A 140 -7.805 39.698 97.415 1.00 58.71 H new ATOM 0 HB3 LEU A 140 -7.980 40.810 96.335 1.00 58.71 H new ATOM 0 HG LEU A 140 -7.392 39.440 94.652 1.00 56.16 H new ATOM 0 HD11 LEU A 140 -6.355 37.362 94.929 1.00 52.58 H new ATOM 0 HD12 LEU A 140 -5.460 38.512 95.550 1.00 52.58 H new ATOM 0 HD13 LEU A 140 -6.330 37.586 96.496 1.00 52.58 H new ATOM 0 HD21 LEU A 140 -8.805 37.563 94.912 1.00 54.92 H new ATOM 0 HD22 LEU A 140 -8.843 37.818 96.475 1.00 54.92 H new ATOM 0 HD23 LEU A 140 -9.511 38.859 95.487 1.00 54.92 H new ATOM 1131 N LYS A 141 -5.132 38.783 98.260 1.00 66.48 N ATOM 1132 CA LYS A 141 -4.701 38.014 99.434 1.00 68.26 C ATOM 1133 C LYS A 141 -3.200 38.084 99.761 1.00 69.93 C ATOM 1134 O LYS A 141 -2.364 38.368 98.893 1.00 69.14 O ATOM 1135 CB LYS A 141 -5.129 36.542 99.274 1.00 67.04 C ATOM 1136 CG LYS A 141 -6.490 36.205 99.880 1.00 65.20 C ATOM 1137 CD LYS A 141 -7.516 35.900 98.804 1.00 64.28 C ATOM 1138 CE LYS A 141 -8.502 37.047 98.640 1.00 64.18 C ATOM 1139 NZ LYS A 141 -9.654 36.655 97.779 1.00 64.66 N ATOM 0 H LYS A 141 -5.063 38.352 97.519 1.00 66.48 H new ATOM 0 HA LYS A 141 -5.143 38.435 100.188 1.00 68.26 H new ATOM 0 HB2 LYS A 141 -5.146 36.323 98.329 1.00 67.04 H new ATOM 0 HB3 LYS A 141 -4.457 35.976 99.684 1.00 67.04 H new ATOM 0 HG2 LYS A 141 -6.402 35.441 100.471 1.00 65.20 H new ATOM 0 HG3 LYS A 141 -6.798 36.949 100.421 1.00 65.20 H new ATOM 0 HD2 LYS A 141 -7.065 35.735 97.961 1.00 64.28 H new ATOM 0 HD3 LYS A 141 -7.996 35.088 99.032 1.00 64.28 H new ATOM 0 HE2 LYS A 141 -8.827 37.324 99.511 1.00 64.18 H new ATOM 0 HE3 LYS A 141 -8.050 37.811 98.250 1.00 64.18 H new ATOM 0 HZ1 LYS A 141 -10.103 37.383 97.533 1.00 64.66 H new ATOM 0 HZ2 LYS A 141 -9.354 36.233 97.055 1.00 64.66 H new ATOM 0 HZ3 LYS A 141 -10.194 36.114 98.234 1.00 64.66 H new ATOM 1140 N ARG A 142 -2.882 37.816 101.031 1.00 72.79 N ATOM 1141 CA ARG A 142 -1.509 37.836 101.544 1.00 75.12 C ATOM 1142 C ARG A 142 -0.654 36.711 100.952 1.00 76.67 C ATOM 1143 O ARG A 142 0.580 36.719 101.179 1.00 78.15 O ATOM 1144 CB ARG A 142 -1.520 37.738 103.086 1.00 73.61 C ATOM 1145 OXT ARG A 142 -1.229 35.833 100.267 1.00 78.52 O ATOM 0 H ARG A 142 -3.468 37.614 101.627 1.00 72.79 H new ATOM 0 HA ARG A 142 -1.109 38.677 101.273 1.00 75.12 H new TER 1146 ARG A 142 HETATM 1147 N1 NEQ A 143 -17.879 34.184 62.597 1.00 61.89 N HETATM 1148 O1 NEQ A 143 -16.801 32.220 62.035 1.00 62.10 O HETATM 1149 O2 NEQ A 143 -18.191 36.472 63.102 1.00 65.08 O HETATM 1150 C1 NEQ A 143 -16.758 33.397 62.263 1.00 61.43 C HETATM 1151 C2 NEQ A 143 -15.573 34.330 62.264 1.00 60.80 C HETATM 1152 C3 NEQ A 143 -15.965 35.546 62.568 1.00 62.32 C HETATM 1153 C4 NEQ A 143 -17.455 35.543 62.801 1.00 62.77 C HETATM 1154 C5 NEQ A 143 -19.287 33.676 62.715 1.00 60.09 C HETATM 1155 C6 NEQ A 143 -19.582 33.288 64.125 1.00 59.17 C HETATM 0 H63 NEQ A 143 -18.969 32.589 64.403 1.00 59.17 H new HETATM 0 H62 NEQ A 143 -19.475 34.060 64.702 1.00 59.17 H new HETATM 0 H61 NEQ A 143 -20.493 32.962 64.187 1.00 59.17 H new HETATM 0 H52 NEQ A 143 -19.910 34.361 62.424 1.00 60.09 H new HETATM 0 H51 NEQ A 143 -19.412 32.912 62.130 1.00 60.09 H new HETATM 0 H31 NEQ A 143 -15.388 36.323 62.632 1.00 62.32 H new HETATM 0 H21 NEQ A 143 -14.659 34.071 62.069 1.00 60.80 H new HETATM 1156 N1 NEQ A 153 4.248 20.465 73.956 1.00 60.43 N HETATM 1157 O1 NEQ A 153 2.804 20.466 75.790 1.00 59.66 O HETATM 1158 O2 NEQ A 153 5.431 21.262 72.117 1.00 61.02 O HETATM 1159 C1 NEQ A 153 3.339 21.051 74.869 1.00 59.86 C HETATM 1160 C2 NEQ A 153 3.208 22.457 74.451 1.00 57.40 C HETATM 1161 C3 NEQ A 153 3.953 22.700 73.406 1.00 59.62 C HETATM 1162 C4 NEQ A 153 4.661 21.454 73.019 1.00 60.20 C HETATM 1163 C5 NEQ A 153 4.693 19.031 73.979 1.00 60.74 C HETATM 1164 C6 NEQ A 153 6.179 18.922 74.080 1.00 61.43 C HETATM 0 H63 NEQ A 153 6.588 19.358 73.317 1.00 61.43 H new HETATM 0 H62 NEQ A 153 6.480 19.350 74.897 1.00 61.43 H new HETATM 0 H61 NEQ A 153 6.435 17.986 74.093 1.00 61.43 H new HETATM 0 H52 NEQ A 153 4.282 18.575 74.730 1.00 60.74 H new HETATM 0 H51 NEQ A 153 4.388 18.583 73.174 1.00 60.74 H new HETATM 0 H31 NEQ A 153 4.031 23.556 72.956 1.00 59.62 H new HETATM 0 H21 NEQ A 153 2.645 23.113 74.892 1.00 57.40 H new HETATM 1165 O HOH A 154 -19.248 25.976 86.205 1.00 24.86 O HETATM 1166 O HOH A 155 -16.751 23.684 80.113 1.00 40.85 O HETATM 1167 O HOH A 156 -18.684 28.798 78.976 1.00 38.52 O HETATM 1168 O HOH A 157 -18.514 29.756 76.603 1.00 31.15 O HETATM 1169 O HOH A 158 -16.299 32.343 73.352 1.00 27.95 O HETATM 1170 O HOH A 159 -17.405 36.516 77.813 1.00 46.57 O HETATM 1171 O HOH A 160 -14.654 33.298 83.204 1.00 27.85 O HETATM 1172 O HOH A 161 -14.134 32.686 71.420 1.00 27.92 O HETATM 1173 O HOH A 162 -10.964 41.960 86.220 1.00 65.78 O HETATM 1174 O HOH A 163 -7.997 38.954 88.005 1.00 24.76 O HETATM 1175 O HOH A 164 -2.729 43.353 86.572 1.00 25.17 O HETATM 1176 O HOH A 165 -5.557 45.332 85.143 1.00 31.86 O HETATM 1177 O HOH A 166 -7.242 47.282 78.775 1.00 45.60 O HETATM 1178 O HOH A 167 -4.337 42.831 70.931 1.00 22.82 O HETATM 1179 O HOH A 168 -2.909 40.269 68.144 1.00 38.94 O HETATM 1180 O HOH A 169 -0.697 39.581 66.955 1.00 62.63 O HETATM 1181 O HOH A 170 0.174 37.058 67.517 1.00 27.06 O HETATM 1182 O HOH A 171 0.020 34.703 66.182 0.50 41.57 O HETATM 1183 O HOH A 172 -1.960 35.417 63.425 1.00 16.32 O HETATM 1184 O HOH A 173 0.028 30.662 66.226 0.50 4.68 O HETATM 1185 O HOH A 174 1.993 38.888 102.074 1.00 27.02 O HETATM 1186 O HOH A 175 5.955 31.726 76.842 1.00 20.20 O HETATM 1187 O HOH A 176 10.328 39.028 78.567 1.00 55.15 O HETATM 1188 O HOH A 177 13.451 36.466 76.528 1.00 45.72 O HETATM 1189 O HOH A 178 5.818 40.653 74.858 1.00 41.67 O HETATM 1190 O HOH A 179 4.871 41.871 71.532 1.00 42.99 O HETATM 1191 O HOH A 180 3.548 42.196 68.323 1.00 52.56 O HETATM 1192 O HOH A 181 -0.484 43.603 69.586 1.00 62.87 O HETATM 1193 O HOH A 182 3.949 43.337 76.812 1.00 38.06 O HETATM 1194 O HOH A 183 3.706 44.665 80.978 1.00 31.03 O HETATM 1195 O HOH A 184 1.018 41.559 87.383 1.00 22.41 O HETATM 1196 O HOH A 185 -1.398 37.648 93.229 1.00 24.19 O HETATM 1197 O HOH A 186 0.496 37.960 95.374 1.00 48.15 O HETATM 1198 O HOH A 187 -3.428 37.386 96.303 1.00 47.34 O HETATM 1199 O HOH A 188 -2.809 33.292 99.896 1.00 56.16 O HETATM 1200 O HOH A 189 -19.059 24.463 72.295 1.00 54.94 O HETATM 1201 O HOH A 190 2.962 26.517 97.552 1.00 52.76 O HETATM 1202 O HOH A 191 7.664 23.542 94.129 1.00 26.81 O HETATM 1203 O HOH A 192 7.657 18.800 89.685 1.00 47.44 O HETATM 1204 O HOH A 193 6.219 17.264 86.433 1.00 34.51 O HETATM 1205 O HOH A 194 4.680 15.006 84.475 1.00 34.09 O HETATM 1206 O HOH A 195 -0.623 15.569 85.243 1.00 57.77 O HETATM 1207 O HOH A 196 -0.459 18.536 86.933 1.00 21.12 O HETATM 1208 O HOH A 197 0.638 16.095 88.112 1.00 51.79 O HETATM 1209 O HOH A 198 1.505 17.378 90.648 1.00 55.30 O HETATM 1210 O HOH A 199 -2.298 18.707 93.769 1.00 45.55 O HETATM 1211 O HOH A 200 -7.374 17.785 95.522 1.00 27.78 O HETATM 1212 O HOH A 201 -9.131 23.039 96.001 1.00 41.57 O HETATM 1213 O HOH A 202 -14.306 26.506 92.765 1.00 17.94 O HETATM 1214 O HOH A 203 -11.522 30.582 88.234 1.00 36.03 O HETATM 1215 O HOH A 204 -8.848 19.765 82.852 1.00 30.50 O HETATM 1216 O HOH A 205 -6.771 29.305 56.686 1.00 61.04 O HETATM 1217 O HOH A 206 -3.473 17.840 86.621 1.00 24.24 O HETATM 1218 O HOH A 207 -6.699 18.815 88.281 1.00 32.63 O HETATM 1219 O HOH A 208 -9.037 17.241 86.049 1.00 53.69 O HETATM 1220 O HOH A 209 10.469 19.876 89.192 1.00 42.12 O HETATM 1221 O HOH A 210 -9.079 13.752 75.324 1.00 47.39 O HETATM 1222 O HOH A 211 -17.210 25.833 70.056 1.00 45.92 O HETATM 1223 O HOH A 212 -20.673 31.529 67.240 1.00 42.99 O HETATM 1224 O HOH A 213 -13.230 32.963 65.512 1.00 38.35 O HETATM 1225 O HOH A 214 -13.145 35.386 65.238 1.00 55.76 O HETATM 1226 O HOH A 215 -9.908 41.592 66.859 1.00 58.82 O HETATM 1227 O HOH A 216 -15.209 28.625 61.280 1.00 34.24 O HETATM 1228 O HOH A 217 -10.594 24.079 57.395 1.00 41.81 O HETATM 1229 O HOH A 218 -9.802 22.853 60.421 1.00 46.33 O HETATM 1230 O HOH A 219 -5.098 26.618 59.145 1.00 28.81 O HETATM 1231 O HOH A 220 11.520 18.492 76.181 1.00 33.00 O HETATM 1232 O HOH A 221 12.714 26.229 80.051 1.00 15.63 O HETATM 1233 O HOH A 222 15.675 25.994 82.847 1.00 45.86 O HETATM 1234 O HOH A 223 15.407 26.164 86.057 1.00 50.34 O HETATM 1235 O HOH A 224 14.213 28.740 84.103 1.00 21.54 O HETATM 1236 O HOH A 225 13.790 29.117 86.866 1.00 29.14 O HETATM 1237 O HOH A 226 11.023 31.430 90.286 1.00 29.97 O HETATM 1238 O HOH A 227 7.341 36.381 92.076 1.00 44.99 O HETATM 1239 O HOH A 228 6.313 34.791 94.011 1.00 41.95 O HETATM 1240 O HOH A 229 4.547 33.864 92.191 1.00 21.21 O HETATM 1241 O HOH A 230 3.952 34.609 95.380 1.00 29.41 O HETATM 1242 O HOH A 231 8.612 39.532 88.122 1.00 30.23 O HETATM 1243 O HOH A 232 13.252 37.111 86.131 1.00 23.85 O HETATM 1244 O HOH A 233 1.742 25.672 89.882 1.00 14.35 O HETATM 1245 O HOH A 234 2.529 23.637 88.236 1.00 13.90 O HETATM 1246 O HOH A 235 13.702 18.049 83.834 1.00 30.30 O CONECT 1147 1150 1153 1154 CONECT 1148 1150 CONECT 1149 1153 CONECT 1150 1147 1148 1151 CONECT 1151 1150 1152 CONECT 1152 1151 1153 CONECT 1153 1147 1149 1152 CONECT 1154 1147 1155 CONECT 1155 1154 CONECT 1156 1159 1162 1163 CONECT 1157 1159 CONECT 1158 1162 CONECT 1159 1156 1157 1160 CONECT 1160 1159 1161 CONECT 1161 1160 1162 CONECT 1162 1156 1158 1161 CONECT 1163 1156 1164 CONECT 1164 1163 END