USER MOD reduce.3.24.130724 H: found=0, std=0, add=1943, rem=0, adj=62 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 22-JUL-99 1C22 TITLE E. COLI METHIONINE AMINOPEPTIDASE: TRIFLUOROMETHIONINE TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: METHIONINE AMINOPEPTIDASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.11.18; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: TRIFLUOROMETHIONINE COMPLEX SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET28B KEYWDS PRODUCT COMPLEX, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR W.T.LOWTHER,Y.ZHANG,P.B.SAMPSON,J.F.HONEK,B.W.MATTHEWS REVDAT 4 24-FEB-09 1C22 1 VERSN REVDAT 3 01-APR-03 1C22 1 JRNL REVDAT 2 30-AUG-00 1C22 1 COMPND REVDAT 1 17-NOV-99 1C22 0 JRNL AUTH W.T.LOWTHER,Y.ZHANG,P.B.SAMPSON,J.F.HONEK, JRNL AUTH 2 B.W.MATTHEWS JRNL TITL INSIGHTS INTO THE MECHANISM OF ESCHERICHIA COLI JRNL TITL 2 METHIONINE AMINOPEPTIDASE FROM THE STRUCTURAL JRNL TITL 3 ANALYSIS OF REACTION PRODUCTS AND PHOSPHORUS-BASED JRNL TITL 4 TRANSITION-STATE ANALOGUES. JRNL REF BIOCHEMISTRY V. 38 14810 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10555963 JRNL DOI 10.1021/BI991711G REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 27.10 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 116107 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.1630 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 24021 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1987 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 15 REMARK 3 SOLVENT ATOMS : 103 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : 17.200 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.011 ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : 2.100 ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.009 ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : 0.013 ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : TNT REMARK 3 KSOL : 0.84 REMARK 3 BSOL : 221.40 REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : TNT REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1C22 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB009383. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 18-MAR-99 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 116107 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 27.100 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 4.800 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 35.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.81 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.26400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: TNT REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.36 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.06 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, COCL2, K2SO4, METHIONINE, REMARK 280 PEG4000, NACL, N-OCTANOYL SUCROSE, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 33.80200 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLU A 264 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 LYS A 13 CE NZ REMARK 470 LYS A 86 CE NZ REMARK 470 LYS A 89 CD CE NZ REMARK 470 LYS A 117 CG CD CE NZ REMARK 470 ILE A 120 CD1 REMARK 470 ILE A 144 CD1 REMARK 470 LYS A 155 CD CE NZ REMARK 470 LYS A 196 CE NZ REMARK 470 LYS A 211 CE NZ REMARK 470 ARG A 215 CG CD NE CZ NH1 NH2 REMARK 470 LYS A 218 CG CD CE NZ REMARK 470 LYS A 226 CG CD CE NZ REMARK 470 ARG A 228 CD NE CZ NH1 NH2 REMARK 470 LYS A 252 CD CE NZ REMARK 470 ASP A 263 CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 148 CD GLU A 148 OE2 0.079 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 10 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 10 CB - CG - OD2 ANGL. DEV. = -7.1 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ASP A 83 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP A 90 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 92 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP A 92 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 ASP A 97 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 ASP A 103 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP A 108 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG A 127 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES REMARK 500 ASP A 219 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ASP A 219 CB - CG - OD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ASP A 227 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ARG A 251 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ASP A 253 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP A 253 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP A 254 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP A 254 CB - CG - OD2 ANGL. DEV. = -7.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 55 -163.55 -116.38 REMARK 500 ASN A 74 -112.63 47.07 REMARK 500 ASN A 192 84.11 -154.53 REMARK 500 GLU A 204 62.76 -154.39 REMARK 500 TRP A 221 -54.23 -133.61 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CO A 401 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 MF3 A 300 O REMARK 620 2 HIS A 171 NE2 126.9 REMARK 620 3 GLU A 204 OE2 108.8 88.7 REMARK 620 4 GLU A 235 OE1 104.3 128.2 81.1 REMARK 620 5 ASP A 108 OD1 90.6 87.8 157.9 83.9 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CO A 402 CO REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 97 OD1 REMARK 620 2 ASP A 97 OD2 60.3 REMARK 620 3 GLU A 235 OE2 95.3 95.3 REMARK 620 4 MF3 A 300 N 91.8 84.6 171.7 REMARK 620 5 MF3 A 300 O 156.6 97.2 92.9 79.0 REMARK 620 6 ASP A 108 OD2 99.6 159.8 88.2 94.7 102.5 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 501 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 231 O REMARK 620 2 ASN A 74 O 78.7 REMARK 620 3 VAL A 76 O 114.4 78.0 REMARK 620 4 HOH A 524 O 77.4 148.2 93.2 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO A 402 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 501 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MF3 A 300 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MAT RELATED DB: PDB REMARK 900 RELATED ID: 2MAT RELATED DB: PDB REMARK 900 RELATED ID: 3MAT RELATED DB: PDB REMARK 900 RELATED ID: 4MAT RELATED DB: PDB REMARK 900 RELATED ID: 1C21 RELATED DB: PDB REMARK 900 RELATED ID: 1C23 RELATED DB: PDB REMARK 900 RELATED ID: 1C24 RELATED DB: PDB REMARK 900 RELATED ID: 1C27 RELATED DB: PDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 THERE ARE FOUR ADDITIONAL RESIDUES ON THE REMARK 999 C-TERMINUS LEFT OVER FROM A THROMBIN DIGEST REMARK 999 OF THE HIS-TAGGED PROTEIN. THESE RESIDUES, REMARK 999 L-V-P-R (RESIDUES 265-268), WERE NOT SEEN IN REMARK 999 THE ELECTRON DENSITY AND ARE NOT A PART OF THE SEQRES. DBREF 1C22 A 2 264 UNP P07906 AMPM_ECOLI 2 264 SEQADV 1C22 GLN A 175 UNP P07906 ARG 175 ENGINEERED SEQRES 1 A 263 ALA ILE SER ILE LYS THR PRO GLU ASP ILE GLU LYS MET SEQRES 2 A 263 ARG VAL ALA GLY ARG LEU ALA ALA GLU VAL LEU GLU MET SEQRES 3 A 263 ILE GLU PRO TYR VAL LYS PRO GLY VAL SER THR GLY GLU SEQRES 4 A 263 LEU ASP ARG ILE CYS ASN ASP TYR ILE VAL ASN GLU GLN SEQRES 5 A 263 HIS ALA VAL SER ALA CYS LEU GLY TYR HIS GLY TYR PRO SEQRES 6 A 263 LYS SER VAL CYS ILE SER ILE ASN GLU VAL VAL CYS HIS SEQRES 7 A 263 GLY ILE PRO ASP ASP ALA LYS LEU LEU LYS ASP GLY ASP SEQRES 8 A 263 ILE VAL ASN ILE ASP VAL THR VAL ILE LYS ASP GLY PHE SEQRES 9 A 263 HIS GLY ASP THR SER LYS MET PHE ILE VAL GLY LYS PRO SEQRES 10 A 263 THR ILE MET GLY GLU ARG LEU CYS ARG ILE THR GLN GLU SEQRES 11 A 263 SER LEU TYR LEU ALA LEU ARG MET VAL LYS PRO GLY ILE SEQRES 12 A 263 ASN LEU ARG GLU ILE GLY ALA ALA ILE GLN LYS PHE VAL SEQRES 13 A 263 GLU ALA GLU GLY PHE SER VAL VAL ARG GLU TYR CYS GLY SEQRES 14 A 263 HIS GLY ILE GLY GLN GLY PHE HIS GLU GLU PRO GLN VAL SEQRES 15 A 263 LEU HIS TYR ASP SER ARG GLU THR ASN VAL VAL LEU LYS SEQRES 16 A 263 PRO GLY MET THR PHE THR ILE GLU PRO MET VAL ASN ALA SEQRES 17 A 263 GLY LYS LYS GLU ILE ARG THR MET LYS ASP GLY TRP THR SEQRES 18 A 263 VAL LYS THR LYS ASP ARG SER LEU SER ALA GLN TYR GLU SEQRES 19 A 263 HIS THR ILE VAL VAL THR ASP ASN GLY CYS GLU ILE LEU SEQRES 20 A 263 THR LEU ARG LYS ASP ASP THR ILE PRO ALA ILE ILE SER SEQRES 21 A 263 HIS ASP GLU HET CO A 401 1 HET CO A 402 1 HET NA A 501 1 HET MF3 A 300 12 HETNAM CO COBALT (II) ION HETNAM NA SODIUM ION HETNAM MF3 2-AMINO-4-TRIFLUOROMETHYLSULFANYL-BUTYRIC ACID HETSYN MF3 TRIFLUOROMETHIONINE FORMUL 2 CO 2(CO 2+) FORMUL 4 NA NA 1+ FORMUL 5 MF3 C5 H8 F3 N O2 S FORMUL 6 HOH *103(H2 O) HELIX 1 1 THR A 7 GLU A 29 1 23 HELIX 2 2 PRO A 30 VAL A 32 5 3 HELIX 3 3 SER A 37 GLU A 52 1 16 HELIX 4 4 GLY A 61 TYR A 65 5 5 HELIX 5 5 THR A 119 VAL A 140 1 22 HELIX 6 6 ASN A 145 GLU A 160 1 16 SHEET 1 A 3 PHE A 105 ILE A 114 0 SHEET 2 A 3 ILE A 93 LYS A 102 -1 O VAL A 94 N PHE A 113 SHEET 3 A 3 VAL A 56 SER A 57 -1 O VAL A 56 N ILE A 101 SHEET 1 A1 3 PHE A 105 ILE A 114 0 SHEET 2 A1 3 ILE A 93 LYS A 102 -1 O VAL A 94 N PHE A 113 SHEET 3 A1 3 CYS A 70 ILE A 73 -1 O CYS A 70 N ASP A 97 SHEET 1 B 3 VAL A 76 CYS A 78 0 SHEET 2 B 3 VAL A 223 THR A 225 -1 O VAL A 223 N VAL A 77 SHEET 3 B 3 ILE A 214 THR A 216 -1 O ARG A 215 N LYS A 224 SHEET 1 C 3 SER A 163 VAL A 164 0 SHEET 2 C 3 MET A 206 ASN A 208 -1 N ASN A 208 O SER A 163 SHEET 3 C 3 SER A 231 GLN A 233 -1 N ALA A 232 O VAL A 207 SHEET 1 D 2 GLY A 170 GLY A 172 0 SHEET 2 D 2 GLU A 179 VAL A 183 -1 N GLU A 179 O GLY A 172 SHEET 1 E 4 THR A 200 ILE A 203 0 SHEET 2 E 4 HIS A 236 VAL A 240 -1 N HIS A 236 O ILE A 203 SHEET 3 E 4 GLY A 244 ILE A 247 -1 N GLU A 246 O VAL A 239 SHEET 4 E 4 ILE A 259 SER A 261 -1 N ILE A 260 O CYS A 245 LINK O MF3 A 300 CO CO A 401 1555 1555 1.99 LINK CO CO A 401 NE2 HIS A 171 1555 1555 2.14 LINK CO CO A 401 OE2 GLU A 204 1555 1555 2.06 LINK CO CO A 401 OE1 GLU A 235 1555 1555 2.02 LINK CO CO A 401 OD1 ASP A 108 1555 1555 1.97 LINK CO CO A 402 OD1 ASP A 97 1555 1555 2.12 LINK CO CO A 402 OD2 ASP A 97 1555 1555 2.33 LINK CO CO A 402 OE2 GLU A 235 1555 1555 2.12 LINK CO CO A 402 N MF3 A 300 1555 1555 2.30 LINK CO CO A 402 O MF3 A 300 1555 1555 2.16 LINK CO CO A 402 OD2 ASP A 108 1555 1555 2.03 LINK NA NA A 501 O SER A 231 1555 1555 2.55 LINK O ASN A 74 NA NA A 501 1555 1555 2.79 LINK O VAL A 76 NA NA A 501 1555 1555 2.67 LINK NA NA A 501 O HOH A 524 1555 1555 2.74 CISPEP 1 GLU A 180 PRO A 181 0 2.08 SITE *** AC1 7 ASP A 108 HIS A 171 THR A 202 GLU A 204 SITE *** AC1 7 GLU A 235 MF3 A 300 CO A 402 SITE *** AC2 5 ASP A 97 ASP A 108 GLU A 235 MF3 A 300 SITE *** AC2 5 CO A 401 SITE *** AC3 5 SER A 72 ASN A 74 VAL A 76 SER A 231 SITE *** AC3 5 HOH A 524 SITE *** AC4 15 TYR A 65 CYS A 70 HIS A 79 ASP A 97 SITE *** AC4 15 THR A 99 ASP A 108 HIS A 171 PHE A 177 SITE *** AC4 15 HIS A 178 GLU A 204 TRP A 221 GLU A 235 SITE *** AC4 15 CO A 401 CO A 402 HOH A 570 CRYST1 39.128 67.604 48.826 90.00 111.05 90.00 P 1 21 1 2 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 0.025557 0.000000 0.009837 0.00000 SCALE2 0.000000 0.014792 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021946 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 NoAdj-H: A 171 HIS HE2 : A 171 HIS NE2 : A 401 COCO :(H bumps) USER MOD NoAdj-H: A 300 MF3 HXT : A 300 MF3 OXT : A 300 MF3 C :(short bond) USER MOD Set 1.1: A 243 ASN :FLIP amide:sc= -0.996 F(o=-0.88,f=-0.37) USER MOD Set 1.2: A 261 SER OG : rot -64:sc= 0.626 USER MOD Set 2.1: A 236 HIS : no HD1:sc= 1.21 K(o=2.7,f=-11!) USER MOD Set 2.2: A 249 THR OG1 : rot 94:sc= 1.47 USER MOD Set 3.1: A 208 ASN : amide:sc= 1.22 K(o=2.8,f=0.3) USER MOD Set 3.2: A 231 SER OG : rot 99:sc= 1.58 USER MOD Set 4.1: A 206 MET CE :methyl 180:sc= -0.363 (180deg=-0.00136) USER MOD Set 4.2: A 233 GLN :FLIP amide:sc= 0.62 F(o=-1.4,f=0.26) USER MOD Set 5.1: A 4 SER OG : rot 140:sc= 1.09 USER MOD Set 5.2: A 6 LYS NZ :NH3+ 175:sc= 1.89 (180deg=0.783) USER MOD Set 5.3: A 200 THR OG1 : rot 103:sc= 0.766 USER MOD Set 6.1: A 145 ASN : amide:sc= 0.77 K(o=1.1,f=-5.2!) USER MOD Set 6.2: A 192 ASN :FLIP amide:sc= 0.316 F(o=-6.3!,f=1.1) USER MOD Set 7.1: A 130 GLN : amide:sc= 0.65 X(o=2.2,f=2) USER MOD Set 7.2: A 134 TYR OH : rot 0:sc= 1.51 USER MOD Set 8.1: A 95 ASN : amide:sc= 1.08 K(o=2.3,f=0.082) USER MOD Set 8.2: A 110 SER OG : rot -132:sc= 1.21 USER MOD Set 9.1: A 65 TYR OH : rot 163:sc= 0.331 USER MOD Set 9.2: A 70 CYS SG : rot -39:sc= 0.233 USER MOD Set10.1: A 62 TYR OH : rot 127:sc= 1.33 USER MOD Set10.2: A 178 HIS : no HD1:sc= 2.1 K(o=3.4,f=-7.8!) USER MOD Set11.1: A 46 ASN :FLIP amide:sc= 1.02 F(o=0.28,f=3) USER MOD Set11.2: A 68 SER OG : rot -146:sc= 1.94 USER MOD Single : A 7 THR OG1 : rot 123:sc= 0.863 USER MOD Single : A 14 MET CE :methyl -124:sc= -2.41 (180deg=-4.65!) USER MOD Single : A 27 MET CE :methyl -156:sc= -0.0148 (180deg=-0.235) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 170:sc= -3.71! USER MOD Single : A 38 THR OG1 : rot -171:sc= 1.87 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 32:sc= 0.247 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 53 GLN : amide:sc= 0.573 K(o=0.57,f=-0.43) USER MOD Single : A 54 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.0033) USER MOD Single : A 57 SER OG : rot 138:sc= 1 USER MOD Single : A 59 CYS SG : rot -155:sc= 1.12 USER MOD Single : A 63 HIS :FLIP no HE2:sc= 0.829 F(o=-3!,f=0.83) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.04 (180deg=0.0388) USER MOD Single : A 72 SER OG : rot 86:sc= 1.16 USER MOD Single : A 74 ASN : amide:sc= 0.915 K(o=0.91,f=-4!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-0.39) USER MOD Single : A 99 THR OG1 : rot -179:sc= 0.158 USER MOD Single : A 102 LYS NZ :NH3+ 143:sc= 0.173 (180deg=0.00827) USER MOD Single : A 106 HIS : no HE2:sc= 1.52 K(o=1.5,f=-4.8!) USER MOD Single : A 109 THR OG1 : rot 40:sc= 2.09 USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.766) USER MOD Single : A 112 MET CE :methyl -126:sc= -0.0482 (180deg=-0.92) USER MOD Single : A 119 THR OG1 : rot -60:sc= 0.224 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 82:sc= 0.0444 USER MOD Single : A 129 THR OG1 : rot 82:sc= 1.02 USER MOD Single : A 132 SER OG : rot -47:sc= 0.682 USER MOD Single : A 139 MET CE :methyl 165:sc=-0.00923 (180deg=-0.158) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 GLN : amide:sc= 0.958 K(o=0.96,f=-4!) USER MOD Single : A 163 SER OG : rot -109:sc= 0.51 USER MOD Single : A 168 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 169 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.7!) USER MOD Single : A 182 GLN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 185 HIS : no HE2:sc= 0.667 K(o=0.67,f=-3.4!) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 188 SER OG : rot 180:sc= 0.11 USER MOD Single : A 191 THR OG1 : rot 158:sc= 0.665 USER MOD Single : A 199 MET CE :methyl -108:sc= -7.11! (180deg=-8.47!) USER MOD Single : A 202 THR OG1 : rot 150:sc= 0.835 USER MOD Single : A 212 LYS NZ :NH3+ 166:sc= 0.124 (180deg=-0.886!) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 MET CE :methyl -111:sc= -0.391 (180deg=-1.77!) USER MOD Single : A 222 THR OG1 : rot 134:sc= 2.22 USER MOD Single : A 224 LYS NZ :NH3+ -110:sc= 0.706 (180deg=-0.267) USER MOD Single : A 225 THR OG1 : rot -150:sc= 0.346 USER MOD Single : A 229 SER OG : rot -82:sc= 1.09 USER MOD Single : A 234 TYR OH : rot 3:sc= 1.52 USER MOD Single : A 237 THR OG1 : rot 69:sc= 0.849 USER MOD Single : A 241 THR OG1 : rot 175:sc= 1.06 USER MOD Single : A 245 CYS SG : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 262 HIS : no HD1:sc= 0.474 K(o=0.47,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 17.487 -13.425 -11.479 1.00 71.29 N ATOM 2 CA ALA A 2 17.462 -14.869 -11.399 1.00 65.63 C ATOM 3 C ALA A 2 16.746 -15.396 -10.159 1.00 56.50 C ATOM 4 O ALA A 2 17.361 -15.959 -9.244 1.00 55.88 O ATOM 5 CB ALA A 2 18.868 -15.437 -11.499 1.00 67.49 C ATOM 0 HA ALA A 2 16.942 -15.176 -12.159 1.00 65.63 H new ATOM 0 HB1 ALA A 2 18.831 -16.405 -11.443 1.00 67.49 H new ATOM 0 HB2 ALA A 2 19.263 -15.177 -12.346 1.00 67.49 H new ATOM 0 HB3 ALA A 2 19.409 -15.092 -10.771 1.00 67.49 H new ATOM 6 N ILE A 3 15.427 -15.216 -10.134 1.00 41.54 N ATOM 7 CA ILE A 3 14.636 -15.714 -9.027 1.00 32.97 C ATOM 8 C ILE A 3 14.270 -17.147 -9.327 1.00 35.63 C ATOM 9 O ILE A 3 13.612 -17.429 -10.328 1.00 33.95 O ATOM 10 CB ILE A 3 13.354 -14.924 -8.840 1.00 31.71 C ATOM 11 CG1 ILE A 3 13.669 -13.577 -8.216 1.00 32.82 C ATOM 12 CG2 ILE A 3 12.414 -15.700 -7.945 1.00 22.08 C ATOM 13 CD1 ILE A 3 12.441 -12.696 -8.054 1.00 32.29 C ATOM 0 H ILE A 3 14.979 -14.811 -10.746 1.00 41.54 H new ATOM 0 HA ILE A 3 15.160 -15.632 -8.215 1.00 32.97 H new ATOM 0 HB ILE A 3 12.932 -14.781 -9.702 1.00 31.71 H new ATOM 0 HG12 ILE A 3 14.078 -13.716 -7.347 1.00 32.82 H new ATOM 0 HG13 ILE A 3 14.321 -13.116 -8.766 1.00 32.82 H new ATOM 0 HG21 ILE A 3 11.593 -15.197 -7.824 1.00 22.08 H new ATOM 0 HG22 ILE A 3 12.211 -16.556 -8.354 1.00 22.08 H new ATOM 0 HG23 ILE A 3 12.834 -15.845 -7.083 1.00 22.08 H new ATOM 0 HD11 ILE A 3 12.699 -11.852 -7.652 1.00 32.29 H new ATOM 0 HD12 ILE A 3 12.043 -12.532 -8.923 1.00 32.29 H new ATOM 0 HD13 ILE A 3 11.796 -13.141 -7.483 1.00 32.29 H new ATOM 14 N SER A 4 14.705 -18.045 -8.459 1.00 29.98 N ATOM 15 CA SER A 4 14.421 -19.455 -8.630 1.00 28.42 C ATOM 16 C SER A 4 13.027 -19.868 -8.165 1.00 29.91 C ATOM 17 O SER A 4 12.537 -19.465 -7.128 1.00 35.59 O ATOM 18 CB SER A 4 15.434 -20.278 -7.876 1.00 34.28 C ATOM 19 OG SER A 4 14.859 -20.670 -6.647 1.00 62.83 O ATOM 0 H SER A 4 15.169 -17.856 -7.760 1.00 29.98 H new ATOM 0 HA SER A 4 14.468 -19.617 -9.585 1.00 28.42 H new ATOM 0 HB2 SER A 4 15.689 -21.058 -8.394 1.00 34.28 H new ATOM 0 HB3 SER A 4 16.241 -19.763 -7.722 1.00 34.28 H new ATOM 0 HG SER A 4 15.074 -21.464 -6.477 1.00 62.83 H new ATOM 20 N ILE A 5 12.388 -20.721 -8.927 1.00 23.90 N ATOM 21 CA ILE A 5 11.076 -21.231 -8.565 1.00 22.60 C ATOM 22 C ILE A 5 11.292 -22.663 -8.106 1.00 26.92 C ATOM 23 O ILE A 5 11.868 -23.483 -8.823 1.00 24.50 O ATOM 24 CB ILE A 5 10.089 -21.200 -9.741 1.00 22.73 C ATOM 25 CG1 ILE A 5 9.924 -19.802 -10.328 1.00 23.41 C ATOM 26 CG2 ILE A 5 8.759 -21.794 -9.326 1.00 21.52 C ATOM 27 CD1 ILE A 5 9.359 -18.772 -9.356 1.00 29.70 C ATOM 0 H ILE A 5 12.695 -21.026 -9.670 1.00 23.90 H new ATOM 0 HA ILE A 5 10.685 -20.676 -7.872 1.00 22.60 H new ATOM 0 HB ILE A 5 10.461 -21.746 -10.451 1.00 22.73 H new ATOM 0 HG12 ILE A 5 10.787 -19.492 -10.644 1.00 23.41 H new ATOM 0 HG13 ILE A 5 9.341 -19.855 -11.101 1.00 23.41 H new ATOM 0 HG21 ILE A 5 8.145 -21.769 -10.076 1.00 21.52 H new ATOM 0 HG22 ILE A 5 8.888 -22.713 -9.045 1.00 21.52 H new ATOM 0 HG23 ILE A 5 8.391 -21.281 -8.590 1.00 21.52 H new ATOM 0 HD11 ILE A 5 9.284 -17.913 -9.801 1.00 29.70 H new ATOM 0 HD12 ILE A 5 8.482 -19.057 -9.056 1.00 29.70 H new ATOM 0 HD13 ILE A 5 9.951 -18.689 -8.592 1.00 29.70 H new ATOM 28 N LYS A 6 10.846 -22.982 -6.906 1.00 19.02 N ATOM 29 CA LYS A 6 11.069 -24.296 -6.375 1.00 16.06 C ATOM 30 C LYS A 6 10.120 -25.318 -6.906 1.00 20.36 C ATOM 31 O LYS A 6 8.970 -24.992 -7.106 1.00 22.65 O ATOM 32 CB LYS A 6 11.030 -24.266 -4.850 1.00 18.14 C ATOM 33 CG LYS A 6 12.372 -23.847 -4.256 1.00 17.35 C ATOM 34 CD LYS A 6 12.762 -22.457 -4.625 1.00 15.97 C ATOM 35 CE LYS A 6 14.047 -22.000 -3.938 1.00 14.68 C ATOM 36 NZ LYS A 6 14.315 -20.595 -4.221 1.00 16.64 N ATOM 0 H LYS A 6 10.413 -22.449 -6.388 1.00 19.02 H new ATOM 0 HA LYS A 6 11.952 -24.567 -6.671 1.00 16.06 H new ATOM 0 HB2 LYS A 6 10.340 -23.651 -4.556 1.00 18.14 H new ATOM 0 HB3 LYS A 6 10.788 -25.144 -4.515 1.00 18.14 H new ATOM 0 HG2 LYS A 6 12.330 -23.920 -3.290 1.00 17.35 H new ATOM 0 HG3 LYS A 6 13.060 -24.461 -4.557 1.00 17.35 H new ATOM 0 HD2 LYS A 6 12.877 -22.403 -5.587 1.00 15.97 H new ATOM 0 HD3 LYS A 6 12.042 -21.851 -4.391 1.00 15.97 H new ATOM 0 HE2 LYS A 6 13.971 -22.132 -2.980 1.00 14.68 H new ATOM 0 HE3 LYS A 6 14.791 -22.543 -4.241 1.00 14.68 H new ATOM 0 HZ1 LYS A 6 15.025 -20.328 -3.755 1.00 16.64 H new ATOM 0 HZ2 LYS A 6 14.475 -20.492 -5.090 1.00 16.64 H new ATOM 0 HZ3 LYS A 6 13.609 -20.105 -3.990 1.00 16.64 H new ATOM 37 N THR A 7 10.609 -26.550 -7.085 1.00 18.57 N ATOM 38 CA THR A 7 9.741 -27.625 -7.527 1.00 21.95 C ATOM 39 C THR A 7 9.109 -28.169 -6.272 1.00 27.73 C ATOM 40 O THR A 7 9.500 -27.802 -5.153 1.00 22.10 O ATOM 41 CB THR A 7 10.496 -28.792 -8.202 1.00 27.12 C ATOM 42 OG1 THR A 7 11.403 -29.375 -7.276 1.00 22.10 O ATOM 43 CG2 THR A 7 11.274 -28.313 -9.421 1.00 27.88 C ATOM 0 H THR A 7 11.429 -26.774 -6.956 1.00 18.57 H new ATOM 0 HA THR A 7 9.117 -27.274 -8.182 1.00 21.95 H new ATOM 0 HB THR A 7 9.840 -29.447 -8.488 1.00 27.12 H new ATOM 0 HG1 THR A 7 11.237 -30.195 -7.199 1.00 22.10 H new ATOM 0 HG21 THR A 7 11.737 -29.063 -9.825 1.00 27.88 H new ATOM 0 HG22 THR A 7 10.660 -27.928 -10.066 1.00 27.88 H new ATOM 0 HG23 THR A 7 11.920 -27.642 -9.150 1.00 27.88 H new ATOM 44 N PRO A 8 8.146 -29.059 -6.465 1.00 22.75 N ATOM 45 CA PRO A 8 7.452 -29.662 -5.349 1.00 22.32 C ATOM 46 C PRO A 8 8.416 -30.455 -4.465 1.00 25.28 C ATOM 47 O PRO A 8 8.278 -30.512 -3.244 1.00 19.41 O ATOM 48 CB PRO A 8 6.379 -30.581 -5.955 1.00 26.09 C ATOM 49 CG PRO A 8 6.229 -30.139 -7.410 1.00 27.68 C ATOM 50 CD PRO A 8 7.448 -29.296 -7.758 1.00 22.24 C ATOM 0 HA PRO A 8 7.053 -28.985 -4.780 1.00 22.32 H new ATOM 0 HB2 PRO A 8 6.646 -31.512 -5.899 1.00 26.09 H new ATOM 0 HB3 PRO A 8 5.539 -30.498 -5.477 1.00 26.09 H new ATOM 0 HG2 PRO A 8 6.168 -30.909 -7.996 1.00 27.68 H new ATOM 0 HG3 PRO A 8 5.414 -29.626 -7.529 1.00 27.68 H new ATOM 0 HD2 PRO A 8 8.024 -29.758 -8.387 1.00 22.24 H new ATOM 0 HD3 PRO A 8 7.187 -28.459 -8.173 1.00 22.24 H new ATOM 51 N GLU A 9 9.405 -31.063 -5.119 1.00 20.22 N ATOM 52 CA GLU A 9 10.394 -31.837 -4.400 1.00 20.31 C ATOM 53 C GLU A 9 11.257 -30.872 -3.595 1.00 22.05 C ATOM 54 O GLU A 9 11.583 -31.151 -2.457 1.00 26.41 O ATOM 55 CB GLU A 9 11.266 -32.674 -5.360 1.00 20.19 C ATOM 56 CG GLU A 9 10.458 -33.712 -6.175 1.00 38.18 C ATOM 57 CD GLU A 9 9.598 -33.106 -7.263 1.00 35.44 C ATOM 58 OE1 GLU A 9 9.876 -32.078 -7.862 1.00 49.58 O ATOM 59 OE2 GLU A 9 8.520 -33.815 -7.503 1.00 44.88 O ATOM 0 H GLU A 9 9.515 -31.036 -5.972 1.00 20.22 H new ATOM 0 HA GLU A 9 9.946 -32.463 -3.809 1.00 20.31 H new ATOM 0 HB2 GLU A 9 11.725 -32.078 -5.972 1.00 20.19 H new ATOM 0 HB3 GLU A 9 11.949 -33.135 -4.848 1.00 20.19 H new ATOM 0 HG2 GLU A 9 11.074 -34.344 -6.577 1.00 38.18 H new ATOM 0 HG3 GLU A 9 9.891 -34.214 -5.569 1.00 38.18 H new ATOM 60 N ASP A 10 11.604 -29.733 -4.193 1.00 16.48 N ATOM 61 CA ASP A 10 12.391 -28.731 -3.506 1.00 18.77 C ATOM 62 C ASP A 10 11.644 -28.257 -2.260 1.00 25.86 C ATOM 63 O ASP A 10 12.214 -28.096 -1.185 1.00 16.62 O ATOM 64 CB ASP A 10 12.571 -27.500 -4.370 1.00 16.85 C ATOM 65 CG ASP A 10 13.567 -27.761 -5.440 1.00 23.44 C ATOM 66 OD1 ASP A 10 14.355 -28.685 -5.421 1.00 21.10 O ATOM 67 OD2 ASP A 10 13.489 -26.873 -6.381 1.00 26.93 O ATOM 0 H ASP A 10 11.389 -29.527 -5.000 1.00 16.48 H new ATOM 0 HA ASP A 10 13.247 -29.134 -3.291 1.00 18.77 H new ATOM 0 HB2 ASP A 10 11.722 -27.248 -4.765 1.00 16.85 H new ATOM 0 HB3 ASP A 10 12.863 -26.754 -3.823 1.00 16.85 H new ATOM 68 N ILE A 11 10.354 -28.026 -2.446 1.00 16.79 N ATOM 69 CA ILE A 11 9.535 -27.550 -1.369 1.00 17.62 C ATOM 70 C ILE A 11 9.498 -28.516 -0.206 1.00 24.58 C ATOM 71 O ILE A 11 9.517 -28.093 0.951 1.00 25.23 O ATOM 72 CB ILE A 11 8.159 -27.086 -1.846 1.00 15.41 C ATOM 73 CG1 ILE A 11 8.414 -25.814 -2.648 1.00 17.49 C ATOM 74 CG2 ILE A 11 7.268 -26.765 -0.640 1.00 16.67 C ATOM 75 CD1 ILE A 11 7.317 -25.540 -3.659 1.00 40.81 C ATOM 0 H ILE A 11 9.941 -28.141 -3.192 1.00 16.79 H new ATOM 0 HA ILE A 11 9.958 -26.751 -1.017 1.00 17.62 H new ATOM 0 HB ILE A 11 7.712 -27.767 -2.373 1.00 15.41 H new ATOM 0 HG12 ILE A 11 8.487 -25.061 -2.041 1.00 17.49 H new ATOM 0 HG13 ILE A 11 9.264 -25.890 -3.109 1.00 17.49 H new ATOM 0 HG21 ILE A 11 6.397 -26.471 -0.950 1.00 16.67 H new ATOM 0 HG22 ILE A 11 7.165 -27.559 -0.093 1.00 16.67 H new ATOM 0 HG23 ILE A 11 7.677 -26.061 -0.113 1.00 16.67 H new ATOM 0 HD11 ILE A 11 7.520 -24.725 -4.144 1.00 40.81 H new ATOM 0 HD12 ILE A 11 7.259 -26.281 -4.282 1.00 40.81 H new ATOM 0 HD13 ILE A 11 6.470 -25.439 -3.198 1.00 40.81 H new ATOM 76 N GLU A 12 9.502 -29.802 -0.511 1.00 19.06 N ATOM 77 CA GLU A 12 9.490 -30.808 0.525 1.00 18.12 C ATOM 78 C GLU A 12 10.716 -30.726 1.453 1.00 21.46 C ATOM 79 O GLU A 12 10.648 -30.842 2.689 1.00 19.80 O ATOM 80 CB GLU A 12 9.325 -32.181 -0.120 1.00 19.66 C ATOM 81 CG GLU A 12 8.016 -32.784 0.371 1.00 41.88 C ATOM 82 CD GLU A 12 7.743 -32.326 1.787 1.00100.00 C ATOM 83 OE1 GLU A 12 8.557 -32.426 2.712 1.00 86.75 O ATOM 84 OE2 GLU A 12 6.549 -31.789 1.914 1.00 75.27 O ATOM 0 H GLU A 12 9.512 -30.111 -1.314 1.00 19.06 H new ATOM 0 HA GLU A 12 8.733 -30.645 1.109 1.00 18.12 H new ATOM 0 HB2 GLU A 12 9.319 -32.102 -1.087 1.00 19.66 H new ATOM 0 HB3 GLU A 12 10.071 -32.756 0.113 1.00 19.66 H new ATOM 0 HG2 GLU A 12 7.288 -32.516 -0.211 1.00 41.88 H new ATOM 0 HG3 GLU A 12 8.063 -33.752 0.338 1.00 41.88 H new ATOM 85 N LYS A 13 11.870 -30.522 0.826 1.00 18.88 N ATOM 86 CA LYS A 13 13.097 -30.400 1.571 1.00 14.52 C ATOM 87 C LYS A 13 13.131 -29.098 2.361 1.00 15.51 C ATOM 88 O LYS A 13 13.715 -29.029 3.436 1.00 18.51 O ATOM 89 CB LYS A 13 14.278 -30.552 0.643 1.00 18.64 C ATOM 90 CG LYS A 13 14.427 -31.996 0.140 1.00 26.90 C ATOM 91 CD LYS A 13 15.768 -32.312 -0.514 1.00 48.28 C ATOM 0 H LYS A 13 11.955 -30.453 -0.027 1.00 18.88 H new ATOM 0 HA LYS A 13 13.147 -31.114 2.225 1.00 14.52 H new ATOM 0 HB2 LYS A 13 14.173 -29.955 -0.114 1.00 18.64 H new ATOM 0 HB3 LYS A 13 15.088 -30.285 1.105 1.00 18.64 H new ATOM 0 HG2 LYS A 13 14.296 -32.600 0.887 1.00 26.90 H new ATOM 0 HG3 LYS A 13 13.720 -32.177 -0.499 1.00 26.90 H new ATOM 92 N MET A 14 12.488 -28.050 1.859 1.00 13.52 N ATOM 93 CA MET A 14 12.470 -26.780 2.591 1.00 15.62 C ATOM 94 C MET A 14 11.622 -26.869 3.863 1.00 15.75 C ATOM 95 O MET A 14 11.888 -26.229 4.886 1.00 13.58 O ATOM 96 CB MET A 14 11.958 -25.617 1.742 1.00 15.39 C ATOM 97 CG MET A 14 12.572 -25.612 0.367 1.00 26.18 C ATOM 98 SD MET A 14 13.253 -23.992 -0.001 1.00 32.27 S ATOM 99 CE MET A 14 14.456 -24.172 1.312 1.00 16.13 C ATOM 0 H MET A 14 12.063 -28.047 1.112 1.00 13.52 H new ATOM 0 HA MET A 14 13.395 -26.608 2.828 1.00 15.62 H new ATOM 0 HB2 MET A 14 10.993 -25.674 1.665 1.00 15.39 H new ATOM 0 HB3 MET A 14 12.158 -24.779 2.188 1.00 15.39 H new ATOM 0 HG2 MET A 14 13.270 -26.283 0.315 1.00 26.18 H new ATOM 0 HG3 MET A 14 11.903 -25.847 -0.294 1.00 26.18 H new ATOM 0 HE1 MET A 14 14.377 -23.427 1.928 1.00 16.13 H new ATOM 0 HE2 MET A 14 14.295 -25.002 1.787 1.00 16.13 H new ATOM 0 HE3 MET A 14 15.349 -24.184 0.934 1.00 16.13 H new ATOM 100 N ARG A 15 10.552 -27.636 3.756 1.00 13.84 N ATOM 101 CA ARG A 15 9.675 -27.865 4.875 1.00 16.16 C ATOM 102 C ARG A 15 10.477 -28.529 5.998 1.00 22.37 C ATOM 103 O ARG A 15 10.287 -28.238 7.177 1.00 19.43 O ATOM 104 CB ARG A 15 8.578 -28.859 4.517 1.00 17.66 C ATOM 105 CG ARG A 15 7.372 -28.205 3.924 1.00 23.01 C ATOM 106 CD ARG A 15 6.223 -29.187 3.681 1.00 24.92 C ATOM 107 NE ARG A 15 5.175 -28.505 2.934 1.00 28.44 N ATOM 108 CZ ARG A 15 4.990 -28.707 1.640 1.00 54.76 C ATOM 109 NH1 ARG A 15 5.724 -29.582 0.938 1.00 39.08 N ATOM 110 NH2 ARG A 15 4.029 -28.017 1.040 1.00 44.46 N ATOM 0 H ARG A 15 10.317 -28.036 3.032 1.00 13.84 H new ATOM 0 HA ARG A 15 9.295 -27.010 5.132 1.00 16.16 H new ATOM 0 HB2 ARG A 15 8.929 -29.509 3.889 1.00 17.66 H new ATOM 0 HB3 ARG A 15 8.317 -29.347 5.314 1.00 17.66 H new ATOM 0 HG2 ARG A 15 7.069 -27.499 4.516 1.00 23.01 H new ATOM 0 HG3 ARG A 15 7.617 -27.786 3.084 1.00 23.01 H new ATOM 0 HD2 ARG A 15 6.540 -29.959 3.187 1.00 24.92 H new ATOM 0 HD3 ARG A 15 5.876 -29.514 4.526 1.00 24.92 H new ATOM 0 HE ARG A 15 4.660 -27.954 3.347 1.00 28.44 H new ATOM 0 HH11 ARG A 15 6.341 -30.036 1.328 1.00 39.08 H new ATOM 0 HH12 ARG A 15 5.578 -29.689 0.097 1.00 39.08 H new ATOM 0 HH21 ARG A 15 3.552 -27.462 1.492 1.00 44.46 H new ATOM 0 HH22 ARG A 15 3.883 -28.125 0.199 1.00 44.46 H new ATOM 111 N VAL A 16 11.361 -29.465 5.638 1.00 16.26 N ATOM 112 CA VAL A 16 12.141 -30.142 6.653 1.00 15.06 C ATOM 113 C VAL A 16 13.127 -29.181 7.298 1.00 14.62 C ATOM 114 O VAL A 16 13.225 -29.089 8.510 1.00 16.85 O ATOM 115 CB VAL A 16 12.885 -31.360 6.088 1.00 19.18 C ATOM 116 CG1 VAL A 16 13.912 -31.907 7.099 1.00 18.62 C ATOM 117 CG2 VAL A 16 11.865 -32.446 5.784 1.00 21.48 C ATOM 0 H VAL A 16 11.516 -29.712 4.829 1.00 16.26 H new ATOM 0 HA VAL A 16 11.520 -30.462 7.326 1.00 15.06 H new ATOM 0 HB VAL A 16 13.361 -31.092 5.286 1.00 19.18 H new ATOM 0 HG11 VAL A 16 14.366 -32.674 6.716 1.00 18.62 H new ATOM 0 HG12 VAL A 16 14.562 -31.217 7.306 1.00 18.62 H new ATOM 0 HG13 VAL A 16 13.455 -32.174 7.912 1.00 18.62 H new ATOM 0 HG21 VAL A 16 12.318 -33.225 5.425 1.00 21.48 H new ATOM 0 HG22 VAL A 16 11.399 -32.690 6.599 1.00 21.48 H new ATOM 0 HG23 VAL A 16 11.226 -32.117 5.133 1.00 21.48 H new ATOM 118 N ALA A 17 13.861 -28.460 6.464 1.00 15.93 N ATOM 119 CA ALA A 17 14.852 -27.510 6.933 1.00 11.95 C ATOM 120 C ALA A 17 14.209 -26.406 7.773 1.00 18.10 C ATOM 121 O ALA A 17 14.782 -25.922 8.755 1.00 14.95 O ATOM 122 CB ALA A 17 15.668 -26.930 5.763 1.00 11.35 C ATOM 0 H ALA A 17 13.797 -28.509 5.608 1.00 15.93 H new ATOM 0 HA ALA A 17 15.470 -27.988 7.508 1.00 11.95 H new ATOM 0 HB1 ALA A 17 16.321 -26.300 6.105 1.00 11.35 H new ATOM 0 HB2 ALA A 17 16.125 -27.649 5.299 1.00 11.35 H new ATOM 0 HB3 ALA A 17 15.072 -26.476 5.147 1.00 11.35 H new ATOM 123 N GLY A 18 13.014 -25.997 7.360 1.00 12.38 N ATOM 124 CA GLY A 18 12.299 -24.946 8.041 1.00 14.84 C ATOM 125 C GLY A 18 11.861 -25.392 9.428 1.00 16.03 C ATOM 126 O GLY A 18 11.945 -24.635 10.396 1.00 14.26 O ATOM 0 H GLY A 18 12.603 -26.324 6.679 1.00 12.38 H new ATOM 0 HA2 GLY A 18 12.864 -24.161 8.114 1.00 14.84 H new ATOM 0 HA3 GLY A 18 11.522 -24.689 7.520 1.00 14.84 H new ATOM 127 N ARG A 19 11.426 -26.639 9.506 1.00 11.77 N ATOM 128 CA ARG A 19 10.979 -27.214 10.771 1.00 15.88 C ATOM 129 C ARG A 19 12.161 -27.370 11.763 1.00 16.66 C ATOM 130 O ARG A 19 12.038 -27.102 12.969 1.00 15.81 O ATOM 131 CB ARG A 19 10.312 -28.561 10.498 1.00 17.49 C ATOM 132 CG ARG A 19 9.718 -29.142 11.770 1.00 32.93 C ATOM 133 CD ARG A 19 8.675 -28.229 12.421 1.00 34.80 C ATOM 134 NE ARG A 19 8.944 -28.060 13.840 1.00 45.00 N ATOM 135 CZ ARG A 19 8.448 -27.106 14.598 1.00 77.40 C ATOM 136 NH1 ARG A 19 8.750 -27.036 15.883 1.00100.00 N ATOM 137 NH2 ARG A 19 7.626 -26.202 14.072 1.00100.00 N ATOM 0 H ARG A 19 11.380 -27.175 8.835 1.00 11.77 H new ATOM 0 HA ARG A 19 10.337 -26.616 11.184 1.00 15.88 H new ATOM 0 HB2 ARG A 19 9.615 -28.452 9.832 1.00 17.49 H new ATOM 0 HB3 ARG A 19 10.962 -29.179 10.129 1.00 17.49 H new ATOM 0 HG2 ARG A 19 9.309 -29.998 11.567 1.00 32.93 H new ATOM 0 HG3 ARG A 19 10.431 -29.312 12.405 1.00 32.93 H new ATOM 0 HD2 ARG A 19 8.679 -27.364 11.982 1.00 34.80 H new ATOM 0 HD3 ARG A 19 7.789 -28.605 12.299 1.00 34.80 H new ATOM 0 HE ARG A 19 9.469 -28.629 14.214 1.00 45.00 H new ATOM 0 HH11 ARG A 19 9.277 -27.619 16.233 1.00100.00 H new ATOM 0 HH12 ARG A 19 8.420 -26.408 16.369 1.00100.00 H new ATOM 0 HH21 ARG A 19 7.420 -26.242 13.238 1.00100.00 H new ATOM 0 HH22 ARG A 19 7.301 -25.578 14.566 1.00100.00 H new ATOM 138 N LEU A 20 13.322 -27.795 11.231 1.00 16.13 N ATOM 139 CA LEU A 20 14.537 -27.943 12.037 1.00 13.60 C ATOM 140 C LEU A 20 14.908 -26.602 12.642 1.00 13.83 C ATOM 141 O LEU A 20 15.210 -26.472 13.814 1.00 18.20 O ATOM 142 CB LEU A 20 15.722 -28.491 11.213 1.00 15.00 C ATOM 143 CG LEU A 20 15.520 -29.951 10.760 1.00 19.12 C ATOM 144 CD1 LEU A 20 16.741 -30.454 10.025 1.00 17.17 C ATOM 145 CD2 LEU A 20 15.285 -30.891 11.918 1.00 21.16 C ATOM 0 H LEU A 20 13.421 -28.002 10.402 1.00 16.13 H new ATOM 0 HA LEU A 20 14.350 -28.587 12.738 1.00 13.60 H new ATOM 0 HB2 LEU A 20 15.852 -27.931 10.432 1.00 15.00 H new ATOM 0 HB3 LEU A 20 16.532 -28.432 11.743 1.00 15.00 H new ATOM 0 HG LEU A 20 14.738 -29.942 10.186 1.00 19.12 H new ATOM 0 HD11 LEU A 20 16.597 -31.372 9.748 1.00 17.17 H new ATOM 0 HD12 LEU A 20 16.899 -29.902 9.243 1.00 17.17 H new ATOM 0 HD13 LEU A 20 17.512 -30.411 10.611 1.00 17.17 H new ATOM 0 HD21 LEU A 20 15.164 -31.793 11.583 1.00 21.16 H new ATOM 0 HD22 LEU A 20 16.050 -30.868 12.514 1.00 21.16 H new ATOM 0 HD23 LEU A 20 14.490 -30.617 12.401 1.00 21.16 H new ATOM 146 N ALA A 21 14.900 -25.573 11.821 1.00 13.16 N ATOM 147 CA ALA A 21 15.268 -24.267 12.300 1.00 13.35 C ATOM 148 C ALA A 21 14.349 -23.787 13.413 1.00 16.56 C ATOM 149 O ALA A 21 14.778 -23.210 14.414 1.00 13.45 O ATOM 150 CB ALA A 21 15.325 -23.252 11.162 1.00 13.65 C ATOM 0 H ALA A 21 14.686 -25.611 10.989 1.00 13.16 H new ATOM 0 HA ALA A 21 16.159 -24.346 12.676 1.00 13.35 H new ATOM 0 HB1 ALA A 21 15.575 -22.384 11.515 1.00 13.65 H new ATOM 0 HB2 ALA A 21 15.982 -23.536 10.508 1.00 13.65 H new ATOM 0 HB3 ALA A 21 14.454 -23.190 10.739 1.00 13.65 H new ATOM 151 N ALA A 22 13.057 -23.991 13.182 1.00 13.29 N ATOM 152 CA ALA A 22 12.047 -23.582 14.146 1.00 16.61 C ATOM 153 C ALA A 22 12.265 -24.336 15.464 1.00 18.09 C ATOM 154 O ALA A 22 12.128 -23.791 16.572 1.00 13.32 O ATOM 155 CB ALA A 22 10.643 -23.892 13.613 1.00 15.19 C ATOM 0 H ALA A 22 12.746 -24.365 12.473 1.00 13.29 H new ATOM 0 HA ALA A 22 12.125 -22.627 14.294 1.00 16.61 H new ATOM 0 HB1 ALA A 22 9.981 -23.615 14.265 1.00 15.19 H new ATOM 0 HB2 ALA A 22 10.499 -23.413 12.782 1.00 15.19 H new ATOM 0 HB3 ALA A 22 10.560 -24.845 13.454 1.00 15.19 H new ATOM 156 N GLU A 23 12.603 -25.605 15.325 1.00 11.57 N ATOM 157 CA GLU A 23 12.803 -26.406 16.513 1.00 9.45 C ATOM 158 C GLU A 23 13.962 -25.940 17.392 1.00 14.48 C ATOM 159 O GLU A 23 13.912 -26.080 18.619 1.00 12.61 O ATOM 160 CB GLU A 23 12.995 -27.847 16.094 1.00 13.82 C ATOM 161 CG GLU A 23 13.201 -28.797 17.257 1.00 19.99 C ATOM 162 CD GLU A 23 13.353 -30.136 16.631 1.00 61.60 C ATOM 163 OE1 GLU A 23 14.425 -30.608 16.311 1.00 30.95 O ATOM 164 OE2 GLU A 23 12.201 -30.640 16.293 1.00 41.59 O ATOM 0 H GLU A 23 12.719 -26.011 14.576 1.00 11.57 H new ATOM 0 HA GLU A 23 12.012 -26.307 17.066 1.00 9.45 H new ATOM 0 HB2 GLU A 23 12.220 -28.134 15.586 1.00 13.82 H new ATOM 0 HB3 GLU A 23 13.760 -27.904 15.501 1.00 13.82 H new ATOM 0 HG2 GLU A 23 13.988 -28.558 17.772 1.00 19.99 H new ATOM 0 HG3 GLU A 23 12.446 -28.777 17.866 1.00 19.99 H new ATOM 165 N VAL A 24 15.006 -25.374 16.790 1.00 10.20 N ATOM 166 CA VAL A 24 16.138 -24.877 17.591 1.00 11.98 C ATOM 167 C VAL A 24 15.634 -23.760 18.511 1.00 17.07 C ATOM 168 O VAL A 24 15.978 -23.649 19.676 1.00 14.02 O ATOM 169 CB VAL A 24 17.238 -24.357 16.653 1.00 12.86 C ATOM 170 CG1 VAL A 24 18.346 -23.609 17.403 1.00 16.88 C ATOM 171 CG2 VAL A 24 17.825 -25.528 15.841 1.00 12.89 C ATOM 0 H VAL A 24 15.084 -25.267 15.940 1.00 10.20 H new ATOM 0 HA VAL A 24 16.511 -25.590 18.132 1.00 11.98 H new ATOM 0 HB VAL A 24 16.830 -23.715 16.051 1.00 12.86 H new ATOM 0 HG11 VAL A 24 19.014 -23.301 16.771 1.00 16.88 H new ATOM 0 HG12 VAL A 24 17.965 -22.847 17.867 1.00 16.88 H new ATOM 0 HG13 VAL A 24 18.760 -24.205 18.047 1.00 16.88 H new ATOM 0 HG21 VAL A 24 18.519 -25.196 15.250 1.00 12.89 H new ATOM 0 HG22 VAL A 24 18.203 -26.185 16.447 1.00 12.89 H new ATOM 0 HG23 VAL A 24 17.123 -25.941 15.315 1.00 12.89 H new ATOM 172 N LEU A 25 14.760 -22.908 17.962 1.00 13.77 N ATOM 173 CA LEU A 25 14.182 -21.804 18.722 1.00 10.93 C ATOM 174 C LEU A 25 13.240 -22.312 19.812 1.00 12.92 C ATOM 175 O LEU A 25 13.131 -21.743 20.896 1.00 16.49 O ATOM 176 CB LEU A 25 13.424 -20.834 17.784 1.00 8.89 C ATOM 177 CG LEU A 25 14.354 -20.091 16.828 1.00 12.71 C ATOM 178 CD1 LEU A 25 13.544 -19.087 16.009 1.00 13.25 C ATOM 179 CD2 LEU A 25 15.435 -19.354 17.636 1.00 17.02 C ATOM 0 H LEU A 25 14.491 -22.956 17.147 1.00 13.77 H new ATOM 0 HA LEU A 25 14.913 -21.329 19.147 1.00 10.93 H new ATOM 0 HB2 LEU A 25 12.769 -21.332 17.270 1.00 8.89 H new ATOM 0 HB3 LEU A 25 12.934 -20.190 18.319 1.00 8.89 H new ATOM 0 HG LEU A 25 14.779 -20.724 16.228 1.00 12.71 H new ATOM 0 HD11 LEU A 25 14.134 -18.614 15.401 1.00 13.25 H new ATOM 0 HD12 LEU A 25 12.865 -19.557 15.500 1.00 13.25 H new ATOM 0 HD13 LEU A 25 13.118 -18.451 16.605 1.00 13.25 H new ATOM 0 HD21 LEU A 25 16.027 -18.881 17.030 1.00 17.02 H new ATOM 0 HD22 LEU A 25 15.014 -18.719 18.237 1.00 17.02 H new ATOM 0 HD23 LEU A 25 15.947 -19.996 18.152 1.00 17.02 H new ATOM 180 N GLU A 26 12.526 -23.378 19.521 1.00 11.33 N ATOM 181 CA GLU A 26 11.636 -23.870 20.536 1.00 10.60 C ATOM 182 C GLU A 26 12.445 -24.473 21.683 1.00 20.38 C ATOM 183 O GLU A 26 12.140 -24.302 22.860 1.00 17.41 O ATOM 184 CB GLU A 26 10.715 -24.943 19.948 1.00 12.25 C ATOM 185 CG GLU A 26 9.659 -24.350 18.969 1.00 13.12 C ATOM 186 CD GLU A 26 8.826 -25.417 18.269 1.00 25.30 C ATOM 187 OE1 GLU A 26 9.109 -26.606 18.263 1.00 23.84 O ATOM 188 OE2 GLU A 26 7.775 -24.952 17.652 1.00 24.20 O ATOM 0 H GLU A 26 12.540 -23.812 18.779 1.00 11.33 H new ATOM 0 HA GLU A 26 11.100 -23.133 20.868 1.00 10.60 H new ATOM 0 HB2 GLU A 26 11.250 -25.604 19.481 1.00 12.25 H new ATOM 0 HB3 GLU A 26 10.260 -25.405 20.669 1.00 12.25 H new ATOM 0 HG2 GLU A 26 9.069 -23.757 19.459 1.00 13.12 H new ATOM 0 HG3 GLU A 26 10.112 -23.811 18.301 1.00 13.12 H new ATOM 189 N MET A 27 13.498 -25.181 21.331 1.00 14.10 N ATOM 190 CA MET A 27 14.352 -25.893 22.255 1.00 14.49 C ATOM 191 C MET A 27 15.090 -24.981 23.209 1.00 12.36 C ATOM 192 O MET A 27 15.313 -25.304 24.370 1.00 16.08 O ATOM 193 CB MET A 27 15.363 -26.661 21.353 1.00 18.18 C ATOM 194 CG MET A 27 16.514 -27.406 21.976 1.00 22.94 C ATOM 195 SD MET A 27 17.895 -26.387 22.549 1.00 20.85 S ATOM 196 CE MET A 27 18.591 -25.764 20.999 1.00 21.01 C ATOM 0 H MET A 27 13.746 -25.264 20.512 1.00 14.10 H new ATOM 0 HA MET A 27 13.824 -26.475 22.823 1.00 14.49 H new ATOM 0 HB2 MET A 27 14.855 -27.301 20.830 1.00 18.18 H new ATOM 0 HB3 MET A 27 15.738 -26.020 20.730 1.00 18.18 H new ATOM 0 HG2 MET A 27 16.177 -27.917 22.729 1.00 22.94 H new ATOM 0 HG3 MET A 27 16.852 -28.044 21.329 1.00 22.94 H new ATOM 0 HE1 MET A 27 19.523 -25.530 21.133 1.00 21.01 H new ATOM 0 HE2 MET A 27 18.526 -26.450 20.316 1.00 21.01 H new ATOM 0 HE3 MET A 27 18.098 -24.978 20.716 1.00 21.01 H new ATOM 197 N ILE A 28 15.540 -23.866 22.708 1.00 10.82 N ATOM 198 CA ILE A 28 16.402 -22.990 23.503 1.00 13.85 C ATOM 199 C ILE A 28 15.722 -22.175 24.602 1.00 14.45 C ATOM 200 O ILE A 28 16.360 -21.676 25.545 1.00 15.88 O ATOM 201 CB ILE A 28 17.203 -22.082 22.553 1.00 14.23 C ATOM 202 CG1 ILE A 28 18.483 -21.508 23.172 1.00 15.44 C ATOM 203 CG2 ILE A 28 16.346 -20.930 22.030 1.00 11.78 C ATOM 204 CD1 ILE A 28 19.498 -22.568 23.538 1.00 14.45 C ATOM 0 H ILE A 28 15.369 -23.584 21.914 1.00 10.82 H new ATOM 0 HA ILE A 28 16.983 -23.584 24.002 1.00 13.85 H new ATOM 0 HB ILE A 28 17.468 -22.662 21.822 1.00 14.23 H new ATOM 0 HG12 ILE A 28 18.886 -20.885 22.547 1.00 15.44 H new ATOM 0 HG13 ILE A 28 18.252 -21.002 23.967 1.00 15.44 H new ATOM 0 HG21 ILE A 28 16.876 -20.376 21.436 1.00 11.78 H new ATOM 0 HG22 ILE A 28 15.585 -21.287 21.546 1.00 11.78 H new ATOM 0 HG23 ILE A 28 16.033 -20.395 22.776 1.00 11.78 H new ATOM 0 HD11 ILE A 28 20.282 -22.146 23.923 1.00 14.45 H new ATOM 0 HD12 ILE A 28 19.110 -23.179 24.184 1.00 14.45 H new ATOM 0 HD13 ILE A 28 19.754 -23.060 22.742 1.00 14.45 H new ATOM 205 N GLU A 29 14.430 -21.999 24.438 1.00 11.50 N ATOM 206 CA GLU A 29 13.684 -21.175 25.340 1.00 12.82 C ATOM 207 C GLU A 29 14.018 -21.294 26.819 1.00 12.75 C ATOM 208 O GLU A 29 14.284 -20.271 27.441 1.00 15.66 O ATOM 209 CB GLU A 29 12.181 -21.217 25.080 1.00 16.57 C ATOM 210 CG GLU A 29 11.373 -20.324 26.062 1.00 26.41 C ATOM 211 CD GLU A 29 9.934 -20.175 25.652 1.00 53.31 C ATOM 212 OE1 GLU A 29 9.439 -20.808 24.730 1.00 52.37 O ATOM 213 OE2 GLU A 29 9.281 -19.309 26.393 1.00 92.55 O ATOM 0 H GLU A 29 13.968 -22.352 23.805 1.00 11.50 H new ATOM 0 HA GLU A 29 14.002 -20.287 25.116 1.00 12.82 H new ATOM 0 HB2 GLU A 29 12.007 -20.929 24.170 1.00 16.57 H new ATOM 0 HB3 GLU A 29 11.870 -22.133 25.152 1.00 16.57 H new ATOM 0 HG2 GLU A 29 11.415 -20.707 26.952 1.00 26.41 H new ATOM 0 HG3 GLU A 29 11.785 -19.447 26.111 1.00 26.41 H new ATOM 214 N PRO A 30 13.981 -22.502 27.373 1.00 15.36 N ATOM 215 CA PRO A 30 14.236 -22.659 28.794 1.00 15.77 C ATOM 216 C PRO A 30 15.607 -22.198 29.214 1.00 20.45 C ATOM 217 O PRO A 30 15.830 -21.942 30.394 1.00 19.52 O ATOM 218 CB PRO A 30 14.104 -24.146 29.123 1.00 16.88 C ATOM 219 CG PRO A 30 13.928 -24.893 27.820 1.00 18.72 C ATOM 220 CD PRO A 30 13.769 -23.843 26.738 1.00 15.09 C ATOM 0 HA PRO A 30 13.596 -22.108 29.272 1.00 15.77 H new ATOM 0 HB2 PRO A 30 14.892 -24.462 29.592 1.00 16.88 H new ATOM 0 HB3 PRO A 30 13.345 -24.299 29.708 1.00 16.88 H new ATOM 0 HG2 PRO A 30 14.695 -25.460 27.641 1.00 18.72 H new ATOM 0 HG3 PRO A 30 13.150 -25.471 27.856 1.00 18.72 H new ATOM 0 HD2 PRO A 30 14.411 -23.988 26.026 1.00 15.09 H new ATOM 0 HD3 PRO A 30 12.886 -23.896 26.339 1.00 15.09 H new ATOM 221 N TYR A 31 16.551 -22.093 28.283 1.00 13.16 N ATOM 222 CA TYR A 31 17.869 -21.663 28.703 1.00 12.30 C ATOM 223 C TYR A 31 18.043 -20.177 28.777 1.00 15.98 C ATOM 224 O TYR A 31 19.055 -19.665 29.254 1.00 18.90 O ATOM 225 CB TYR A 31 18.866 -22.196 27.703 1.00 9.93 C ATOM 226 CG TYR A 31 18.887 -23.696 27.680 1.00 13.76 C ATOM 227 CD1 TYR A 31 18.273 -24.430 26.670 1.00 15.33 C ATOM 228 CD2 TYR A 31 19.616 -24.401 28.638 1.00 18.39 C ATOM 229 CE1 TYR A 31 18.367 -25.822 26.617 1.00 14.38 C ATOM 230 CE2 TYR A 31 19.725 -25.789 28.611 1.00 17.83 C ATOM 231 CZ TYR A 31 19.098 -26.504 27.591 1.00 21.31 C ATOM 232 OH TYR A 31 19.199 -27.868 27.560 1.00 21.02 O ATOM 0 H TYR A 31 16.454 -22.258 27.445 1.00 13.16 H new ATOM 0 HA TYR A 31 18.001 -22.003 29.602 1.00 12.30 H new ATOM 0 HB2 TYR A 31 18.647 -21.862 26.819 1.00 9.93 H new ATOM 0 HB3 TYR A 31 19.751 -21.864 27.920 1.00 9.93 H new ATOM 0 HD1 TYR A 31 17.788 -23.983 26.014 1.00 15.33 H new ATOM 0 HD2 TYR A 31 20.043 -23.929 29.316 1.00 18.39 H new ATOM 0 HE1 TYR A 31 17.944 -26.293 25.935 1.00 14.38 H new ATOM 0 HE2 TYR A 31 20.211 -26.235 29.267 1.00 17.83 H new ATOM 0 HH TYR A 31 19.668 -28.129 28.206 1.00 21.02 H new ATOM 233 N VAL A 32 17.072 -19.438 28.261 1.00 15.11 N ATOM 234 CA VAL A 32 17.215 -18.012 28.214 1.00 14.59 C ATOM 235 C VAL A 32 16.842 -17.344 29.504 1.00 21.72 C ATOM 236 O VAL A 32 15.697 -17.045 29.693 1.00 17.23 O ATOM 237 CB VAL A 32 16.402 -17.437 27.061 1.00 15.93 C ATOM 238 CG1 VAL A 32 16.678 -15.937 27.008 1.00 18.11 C ATOM 239 CG2 VAL A 32 16.800 -18.163 25.754 1.00 12.47 C ATOM 0 H VAL A 32 16.336 -19.745 27.939 1.00 15.11 H new ATOM 0 HA VAL A 32 18.156 -17.829 28.069 1.00 14.59 H new ATOM 0 HB VAL A 32 15.449 -17.571 27.181 1.00 15.93 H new ATOM 0 HG11 VAL A 32 16.173 -15.540 26.281 1.00 18.11 H new ATOM 0 HG12 VAL A 32 16.412 -15.529 27.847 1.00 18.11 H new ATOM 0 HG13 VAL A 32 17.625 -15.787 26.862 1.00 18.11 H new ATOM 0 HG21 VAL A 32 16.287 -17.803 25.014 1.00 12.47 H new ATOM 0 HG22 VAL A 32 17.746 -18.031 25.585 1.00 12.47 H new ATOM 0 HG23 VAL A 32 16.617 -19.112 25.842 1.00 12.47 H new ATOM 240 N LYS A 33 17.804 -17.131 30.388 1.00 19.36 N ATOM 241 CA LYS A 33 17.484 -16.513 31.656 1.00 19.18 C ATOM 242 C LYS A 33 18.609 -15.653 32.164 1.00 16.44 C ATOM 243 O LYS A 33 19.713 -15.707 31.669 1.00 17.45 O ATOM 244 CB LYS A 33 17.046 -17.533 32.683 1.00 24.13 C ATOM 245 CG LYS A 33 17.797 -18.833 32.559 1.00 34.16 C ATOM 246 CD LYS A 33 17.037 -19.962 33.231 1.00 45.97 C ATOM 247 CE LYS A 33 17.923 -21.066 33.787 1.00 60.34 C ATOM 248 NZ LYS A 33 17.564 -21.457 35.167 1.00 76.46 N ATOM 0 H LYS A 33 18.632 -17.333 30.275 1.00 19.36 H new ATOM 0 HA LYS A 33 16.729 -15.924 31.500 1.00 19.18 H new ATOM 0 HB2 LYS A 33 17.178 -17.170 33.573 1.00 24.13 H new ATOM 0 HB3 LYS A 33 16.096 -17.701 32.584 1.00 24.13 H new ATOM 0 HG2 LYS A 33 17.935 -19.043 31.622 1.00 34.16 H new ATOM 0 HG3 LYS A 33 18.675 -18.744 32.962 1.00 34.16 H new ATOM 0 HD2 LYS A 33 16.504 -19.594 33.953 1.00 45.97 H new ATOM 0 HD3 LYS A 33 16.419 -20.349 32.591 1.00 45.97 H new ATOM 0 HE2 LYS A 33 17.862 -21.843 33.210 1.00 60.34 H new ATOM 0 HE3 LYS A 33 18.847 -20.771 33.770 1.00 60.34 H new ATOM 0 HZ1 LYS A 33 18.110 -22.103 35.444 1.00 76.46 H new ATOM 0 HZ2 LYS A 33 17.642 -20.752 35.705 1.00 76.46 H new ATOM 0 HZ3 LYS A 33 16.724 -21.751 35.183 1.00 76.46 H new ATOM 249 N PRO A 34 18.358 -14.821 33.156 1.00 16.54 N ATOM 250 CA PRO A 34 19.410 -13.954 33.645 1.00 15.95 C ATOM 251 C PRO A 34 20.643 -14.723 34.081 1.00 19.36 C ATOM 252 O PRO A 34 20.511 -15.772 34.719 1.00 21.91 O ATOM 253 CB PRO A 34 18.817 -13.158 34.806 1.00 16.87 C ATOM 254 CG PRO A 34 17.312 -13.339 34.687 1.00 23.00 C ATOM 255 CD PRO A 34 17.091 -14.618 33.886 1.00 21.56 C ATOM 0 HA PRO A 34 19.713 -13.368 32.934 1.00 15.95 H new ATOM 0 HB2 PRO A 34 19.143 -13.486 35.659 1.00 16.87 H new ATOM 0 HB3 PRO A 34 19.063 -12.221 34.750 1.00 16.87 H new ATOM 0 HG2 PRO A 34 16.902 -13.406 35.564 1.00 23.00 H new ATOM 0 HG3 PRO A 34 16.907 -12.578 34.241 1.00 23.00 H new ATOM 0 HD2 PRO A 34 16.894 -15.369 34.467 1.00 21.56 H new ATOM 0 HD3 PRO A 34 16.342 -14.528 33.276 1.00 21.56 H new ATOM 256 N GLY A 35 21.835 -14.209 33.719 1.00 19.56 N ATOM 257 CA GLY A 35 23.093 -14.853 34.096 1.00 16.73 C ATOM 258 C GLY A 35 23.628 -15.836 33.066 1.00 23.46 C ATOM 259 O GLY A 35 24.741 -16.328 33.200 1.00 22.64 O ATOM 0 H GLY A 35 21.928 -13.490 33.256 1.00 19.56 H new ATOM 0 HA2 GLY A 35 23.761 -14.167 34.250 1.00 16.73 H new ATOM 0 HA3 GLY A 35 22.966 -15.319 34.937 1.00 16.73 H new ATOM 260 N VAL A 36 22.858 -16.147 32.017 1.00 17.94 N ATOM 261 CA VAL A 36 23.386 -17.048 30.988 1.00 13.96 C ATOM 262 C VAL A 36 24.188 -16.183 30.020 1.00 13.16 C ATOM 263 O VAL A 36 23.866 -15.000 29.763 1.00 16.86 O ATOM 264 CB VAL A 36 22.253 -17.741 30.221 1.00 22.53 C ATOM 265 CG1 VAL A 36 22.788 -18.903 29.385 1.00 21.38 C ATOM 266 CG2 VAL A 36 21.330 -18.366 31.231 1.00 29.19 C ATOM 0 H VAL A 36 22.058 -15.860 31.885 1.00 17.94 H new ATOM 0 HA VAL A 36 23.929 -17.739 31.398 1.00 13.96 H new ATOM 0 HB VAL A 36 21.821 -17.083 29.654 1.00 22.53 H new ATOM 0 HG11 VAL A 36 22.055 -19.325 28.910 1.00 21.38 H new ATOM 0 HG12 VAL A 36 23.438 -18.570 28.746 1.00 21.38 H new ATOM 0 HG13 VAL A 36 23.212 -19.553 29.967 1.00 21.38 H new ATOM 0 HG21 VAL A 36 20.602 -18.813 30.771 1.00 29.19 H new ATOM 0 HG22 VAL A 36 21.821 -19.012 31.762 1.00 29.19 H new ATOM 0 HG23 VAL A 36 20.971 -17.677 31.812 1.00 29.19 H new ATOM 267 N SER A 37 25.269 -16.736 29.458 1.00 14.24 N ATOM 268 CA SER A 37 26.011 -15.938 28.498 1.00 13.12 C ATOM 269 C SER A 37 25.512 -16.258 27.070 1.00 14.27 C ATOM 270 O SER A 37 25.012 -17.367 26.836 1.00 16.67 O ATOM 271 CB SER A 37 27.510 -16.220 28.539 1.00 13.62 C ATOM 272 OG SER A 37 27.769 -17.517 27.999 1.00 15.88 O ATOM 0 H SER A 37 25.571 -17.527 29.611 1.00 14.24 H new ATOM 0 HA SER A 37 25.864 -15.008 28.731 1.00 13.12 H new ATOM 0 HB2 SER A 37 27.989 -15.547 28.031 1.00 13.62 H new ATOM 0 HB3 SER A 37 27.833 -16.169 29.452 1.00 13.62 H new ATOM 0 HG SER A 37 28.596 -17.617 27.894 1.00 15.88 H new ATOM 273 N THR A 38 25.708 -15.332 26.133 1.00 12.51 N ATOM 274 CA THR A 38 25.312 -15.620 24.755 1.00 14.85 C ATOM 275 C THR A 38 26.214 -16.706 24.158 1.00 14.04 C ATOM 276 O THR A 38 25.811 -17.457 23.266 1.00 12.76 O ATOM 277 CB THR A 38 25.328 -14.379 23.874 1.00 11.62 C ATOM 278 OG1 THR A 38 26.624 -13.799 23.835 1.00 15.75 O ATOM 279 CG2 THR A 38 24.271 -13.372 24.311 1.00 14.33 C ATOM 0 H THR A 38 26.056 -14.557 26.266 1.00 12.51 H new ATOM 0 HA THR A 38 24.397 -15.940 24.782 1.00 14.85 H new ATOM 0 HB THR A 38 25.104 -14.652 22.971 1.00 11.62 H new ATOM 0 HG1 THR A 38 26.586 -13.054 23.449 1.00 15.75 H new ATOM 0 HG21 THR A 38 24.306 -12.594 23.732 1.00 14.33 H new ATOM 0 HG22 THR A 38 23.392 -13.779 24.253 1.00 14.33 H new ATOM 0 HG23 THR A 38 24.441 -13.101 25.227 1.00 14.33 H new ATOM 280 N GLY A 39 27.466 -16.805 24.663 1.00 16.92 N ATOM 281 CA GLY A 39 28.388 -17.833 24.186 1.00 14.06 C ATOM 282 C GLY A 39 27.851 -19.212 24.511 1.00 16.24 C ATOM 283 O GLY A 39 27.901 -20.160 23.719 1.00 15.67 O ATOM 0 H GLY A 39 27.785 -16.289 25.273 1.00 16.92 H new ATOM 0 HA2 GLY A 39 28.513 -17.745 23.228 1.00 14.06 H new ATOM 0 HA3 GLY A 39 29.258 -17.712 24.598 1.00 14.06 H new ATOM 284 N GLU A 40 27.288 -19.351 25.718 1.00 17.21 N ATOM 285 CA GLU A 40 26.705 -20.626 26.099 1.00 14.04 C ATOM 286 C GLU A 40 25.482 -20.973 25.223 1.00 12.75 C ATOM 287 O GLU A 40 25.291 -22.129 24.842 1.00 15.79 O ATOM 288 CB GLU A 40 26.279 -20.651 27.605 1.00 16.90 C ATOM 289 CG GLU A 40 27.376 -20.214 28.582 1.00 52.28 C ATOM 290 CD GLU A 40 26.794 -19.950 29.948 1.00 92.84 C ATOM 291 OE1 GLU A 40 26.353 -18.873 30.315 1.00 53.14 O ATOM 292 OE2 GLU A 40 26.764 -21.022 30.690 1.00 55.25 O ATOM 0 H GLU A 40 27.237 -18.731 26.312 1.00 17.21 H new ATOM 0 HA GLU A 40 27.397 -21.291 25.961 1.00 14.04 H new ATOM 0 HB2 GLU A 40 25.509 -20.073 27.721 1.00 16.90 H new ATOM 0 HB3 GLU A 40 25.996 -21.550 27.835 1.00 16.90 H new ATOM 0 HG2 GLU A 40 28.056 -20.903 28.642 1.00 52.28 H new ATOM 0 HG3 GLU A 40 27.812 -19.413 28.250 1.00 52.28 H new ATOM 293 N LEU A 41 24.639 -19.973 24.925 1.00 11.24 N ATOM 294 CA LEU A 41 23.443 -20.224 24.089 1.00 10.73 C ATOM 295 C LEU A 41 23.855 -20.744 22.724 1.00 16.30 C ATOM 296 O LEU A 41 23.275 -21.696 22.183 1.00 13.77 O ATOM 297 CB LEU A 41 22.588 -18.973 23.931 1.00 11.55 C ATOM 298 CG LEU A 41 21.939 -18.546 25.269 1.00 16.17 C ATOM 299 CD1 LEU A 41 21.189 -17.229 25.117 1.00 12.77 C ATOM 300 CD2 LEU A 41 21.040 -19.636 25.866 1.00 17.15 C ATOM 0 H LEU A 41 24.734 -19.160 25.188 1.00 11.24 H new ATOM 0 HA LEU A 41 22.908 -20.894 24.542 1.00 10.73 H new ATOM 0 HB2 LEU A 41 23.136 -18.248 23.592 1.00 11.55 H new ATOM 0 HB3 LEU A 41 21.894 -19.137 23.273 1.00 11.55 H new ATOM 0 HG LEU A 41 22.663 -18.412 25.901 1.00 16.17 H new ATOM 0 HD11 LEU A 41 20.792 -16.983 25.967 1.00 12.77 H new ATOM 0 HD12 LEU A 41 21.806 -16.535 24.836 1.00 12.77 H new ATOM 0 HD13 LEU A 41 20.491 -17.329 24.451 1.00 12.77 H new ATOM 0 HD21 LEU A 41 20.659 -19.320 26.700 1.00 17.15 H new ATOM 0 HD22 LEU A 41 20.326 -19.844 25.243 1.00 17.15 H new ATOM 0 HD23 LEU A 41 21.566 -20.434 26.033 1.00 17.15 H new ATOM 301 N ASP A 42 24.894 -20.098 22.196 1.00 14.24 N ATOM 302 CA ASP A 42 25.443 -20.480 20.889 1.00 12.96 C ATOM 303 C ASP A 42 25.929 -21.940 20.917 1.00 20.91 C ATOM 304 O ASP A 42 25.679 -22.738 19.992 1.00 13.15 O ATOM 305 CB ASP A 42 26.533 -19.507 20.426 1.00 10.93 C ATOM 306 CG ASP A 42 27.176 -19.992 19.145 1.00 24.39 C ATOM 307 OD1 ASP A 42 26.658 -19.852 18.056 1.00 17.69 O ATOM 308 OD2 ASP A 42 28.303 -20.638 19.322 1.00 17.70 O ATOM 0 H ASP A 42 25.296 -19.438 22.574 1.00 14.24 H new ATOM 0 HA ASP A 42 24.733 -20.422 20.230 1.00 12.96 H new ATOM 0 HB2 ASP A 42 26.149 -18.627 20.287 1.00 10.93 H new ATOM 0 HB3 ASP A 42 27.207 -19.417 21.118 1.00 10.93 H new ATOM 309 N ARG A 43 26.623 -22.339 21.999 1.00 16.49 N ATOM 310 CA ARG A 43 27.093 -23.722 22.073 1.00 15.65 C ATOM 311 C ARG A 43 25.964 -24.734 22.142 1.00 17.67 C ATOM 312 O ARG A 43 26.024 -25.799 21.530 1.00 16.70 O ATOM 313 CB ARG A 43 27.997 -23.988 23.276 1.00 17.41 C ATOM 314 CG ARG A 43 29.355 -23.331 23.173 1.00 34.05 C ATOM 315 CD ARG A 43 30.240 -23.730 24.345 1.00 50.28 C ATOM 316 NE ARG A 43 30.003 -22.884 25.502 1.00 56.49 N ATOM 317 CZ ARG A 43 30.561 -21.689 25.621 1.00 39.18 C ATOM 318 NH1 ARG A 43 30.336 -20.914 26.691 1.00 59.33 N ATOM 319 NH2 ARG A 43 31.373 -21.283 24.638 1.00 29.02 N ATOM 0 H ARG A 43 26.822 -21.842 22.672 1.00 16.49 H new ATOM 0 HA ARG A 43 27.592 -23.832 21.249 1.00 15.65 H new ATOM 0 HB2 ARG A 43 27.554 -23.673 24.079 1.00 17.41 H new ATOM 0 HB3 ARG A 43 28.116 -24.945 23.375 1.00 17.41 H new ATOM 0 HG2 ARG A 43 29.780 -23.587 22.340 1.00 34.05 H new ATOM 0 HG3 ARG A 43 29.252 -22.367 23.154 1.00 34.05 H new ATOM 0 HD2 ARG A 43 30.071 -24.656 24.579 1.00 50.28 H new ATOM 0 HD3 ARG A 43 31.172 -23.669 24.084 1.00 50.28 H new ATOM 0 HE ARG A 43 29.485 -23.167 26.128 1.00 56.49 H new ATOM 0 HH11 ARG A 43 29.819 -21.190 27.321 1.00 59.33 H new ATOM 0 HH12 ARG A 43 30.709 -20.141 26.748 1.00 59.33 H new ATOM 0 HH21 ARG A 43 31.516 -21.793 23.960 1.00 29.02 H new ATOM 0 HH22 ARG A 43 31.752 -20.512 24.684 1.00 29.02 H new ATOM 320 N ILE A 44 24.935 -24.418 22.928 1.00 11.52 N ATOM 321 CA ILE A 44 23.836 -25.337 23.041 1.00 11.80 C ATOM 322 C ILE A 44 23.173 -25.489 21.683 1.00 13.38 C ATOM 323 O ILE A 44 22.805 -26.582 21.262 1.00 14.83 O ATOM 324 CB ILE A 44 22.846 -24.832 24.090 1.00 18.05 C ATOM 325 CG1 ILE A 44 23.475 -24.903 25.490 1.00 17.04 C ATOM 326 CG2 ILE A 44 21.547 -25.647 24.096 1.00 13.58 C ATOM 327 CD1 ILE A 44 22.627 -24.129 26.487 1.00 13.52 C ATOM 0 H ILE A 44 24.864 -23.695 23.388 1.00 11.52 H new ATOM 0 HA ILE A 44 24.156 -26.207 23.327 1.00 11.80 H new ATOM 0 HB ILE A 44 22.634 -23.914 23.859 1.00 18.05 H new ATOM 0 HG12 ILE A 44 23.552 -25.828 25.771 1.00 17.04 H new ATOM 0 HG13 ILE A 44 24.373 -24.538 25.467 1.00 17.04 H new ATOM 0 HG21 ILE A 44 20.948 -25.296 24.773 1.00 13.58 H new ATOM 0 HG22 ILE A 44 21.122 -25.586 23.226 1.00 13.58 H new ATOM 0 HG23 ILE A 44 21.748 -26.575 24.293 1.00 13.58 H new ATOM 0 HD11 ILE A 44 23.033 -24.181 27.366 1.00 13.52 H new ATOM 0 HD12 ILE A 44 22.570 -23.201 26.212 1.00 13.52 H new ATOM 0 HD13 ILE A 44 21.736 -24.511 26.520 1.00 13.52 H new ATOM 328 N CYS A 45 23.008 -24.372 20.996 1.00 10.78 N ATOM 329 CA CYS A 45 22.352 -24.438 19.680 1.00 12.82 C ATOM 330 C CYS A 45 23.150 -25.288 18.712 1.00 17.57 C ATOM 331 O CYS A 45 22.610 -26.177 18.046 1.00 18.13 O ATOM 332 CB CYS A 45 22.159 -23.043 19.087 1.00 12.37 C ATOM 333 SG CYS A 45 20.818 -22.115 19.845 1.00 14.74 S ATOM 0 H CYS A 45 23.254 -23.589 21.252 1.00 10.78 H new ATOM 0 HA CYS A 45 21.483 -24.846 19.816 1.00 12.82 H new ATOM 0 HB2 CYS A 45 22.984 -22.542 19.184 1.00 12.37 H new ATOM 0 HB3 CYS A 45 21.988 -23.125 18.136 1.00 12.37 H new ATOM 0 HG CYS A 45 20.735 -21.036 19.327 1.00 14.74 H new ATOM 334 N ASN A 46 24.441 -25.015 18.653 1.00 13.31 N ATOM 335 CA ASN A 46 25.327 -25.746 17.770 1.00 16.28 C ATOM 336 C ASN A 46 25.344 -27.252 18.005 1.00 20.37 C ATOM 337 O ASN A 46 25.314 -28.098 17.099 1.00 16.31 O ATOM 338 CB ASN A 46 26.755 -25.193 17.826 1.00 18.27 C ATOM 339 CG ASN A 46 27.549 -25.904 16.749 1.00 33.58 C ATOM 340 OD1 ASN A 46 27.197 -25.595 15.503 1.00 41.37 O flip ATOM 341 ND2 ASN A 46 28.342 -26.808 17.037 1.00 24.48 N flip ATOM 0 H ASN A 46 24.826 -24.405 19.121 1.00 13.31 H new ATOM 0 HA ASN A 46 24.959 -25.610 16.883 1.00 16.28 H new ATOM 0 HB2 ASN A 46 26.758 -24.234 17.678 1.00 18.27 H new ATOM 0 HB3 ASN A 46 27.148 -25.346 18.699 1.00 18.27 H new ATOM 0 HD21 ASN A 46 28.534 -26.965 17.860 1.00 24.48 H new ATOM 0 HD22 ASN A 46 28.701 -27.280 16.414 1.00 24.48 H new ATOM 342 N ASP A 47 25.369 -27.614 19.269 1.00 16.94 N ATOM 343 CA ASP A 47 25.386 -29.014 19.588 1.00 17.34 C ATOM 344 C ASP A 47 24.132 -29.714 19.155 1.00 16.27 C ATOM 345 O ASP A 47 24.146 -30.863 18.708 1.00 17.95 O ATOM 346 CB ASP A 47 25.571 -29.189 21.110 1.00 26.00 C ATOM 347 CG ASP A 47 26.934 -28.700 21.553 1.00 73.37 C ATOM 348 OD1 ASP A 47 27.856 -28.495 20.779 1.00 69.34 O ATOM 349 OD2 ASP A 47 27.020 -28.495 22.849 1.00100.00 O ATOM 0 H ASP A 47 25.376 -27.077 19.941 1.00 16.94 H new ATOM 0 HA ASP A 47 26.125 -29.415 19.105 1.00 17.34 H new ATOM 0 HB2 ASP A 47 24.879 -28.699 21.581 1.00 26.00 H new ATOM 0 HB3 ASP A 47 25.467 -30.124 21.346 1.00 26.00 H new ATOM 350 N TYR A 48 23.028 -29.006 19.342 1.00 16.94 N ATOM 351 CA TYR A 48 21.720 -29.555 18.997 1.00 17.28 C ATOM 352 C TYR A 48 21.622 -29.803 17.488 1.00 14.43 C ATOM 353 O TYR A 48 21.266 -30.872 17.016 1.00 14.78 O ATOM 354 CB TYR A 48 20.636 -28.562 19.472 1.00 19.28 C ATOM 355 CG TYR A 48 19.275 -29.163 19.374 1.00 20.42 C ATOM 356 CD1 TYR A 48 18.423 -28.824 18.320 1.00 17.57 C ATOM 357 CD2 TYR A 48 18.840 -30.094 20.319 1.00 23.74 C ATOM 358 CE1 TYR A 48 17.161 -29.409 18.207 1.00 21.04 C ATOM 359 CE2 TYR A 48 17.570 -30.672 20.231 1.00 23.71 C ATOM 360 CZ TYR A 48 16.733 -30.328 19.167 1.00 24.32 C ATOM 361 OH TYR A 48 15.488 -30.890 19.067 1.00 29.41 O ATOM 0 H TYR A 48 23.011 -28.209 19.666 1.00 16.94 H new ATOM 0 HA TYR A 48 21.590 -30.410 19.437 1.00 17.28 H new ATOM 0 HB2 TYR A 48 20.812 -28.301 20.390 1.00 19.28 H new ATOM 0 HB3 TYR A 48 20.675 -27.755 18.935 1.00 19.28 H new ATOM 0 HD1 TYR A 48 18.700 -28.202 17.687 1.00 17.57 H new ATOM 0 HD2 TYR A 48 19.404 -30.334 21.018 1.00 23.74 H new ATOM 0 HE1 TYR A 48 16.607 -29.187 17.494 1.00 21.04 H new ATOM 0 HE2 TYR A 48 17.285 -31.280 20.875 1.00 23.71 H new ATOM 0 HH TYR A 48 15.279 -30.966 18.257 1.00 29.41 H new ATOM 362 N ILE A 49 21.986 -28.767 16.755 1.00 12.27 N ATOM 363 CA ILE A 49 21.975 -28.790 15.296 1.00 12.49 C ATOM 364 C ILE A 49 22.787 -29.966 14.769 1.00 16.33 C ATOM 365 O ILE A 49 22.339 -30.774 13.964 1.00 18.64 O ATOM 366 CB ILE A 49 22.464 -27.431 14.732 1.00 11.37 C ATOM 367 CG1 ILE A 49 21.326 -26.388 14.938 1.00 11.01 C ATOM 368 CG2 ILE A 49 22.703 -27.531 13.232 1.00 14.37 C ATOM 369 CD1 ILE A 49 21.765 -24.935 14.779 1.00 10.23 C ATOM 0 H ILE A 49 22.250 -28.020 17.090 1.00 12.27 H new ATOM 0 HA ILE A 49 21.064 -28.918 14.987 1.00 12.49 H new ATOM 0 HB ILE A 49 23.285 -27.180 15.184 1.00 11.37 H new ATOM 0 HG12 ILE A 49 20.616 -26.571 14.303 1.00 11.01 H new ATOM 0 HG13 ILE A 49 20.951 -26.506 15.825 1.00 11.01 H new ATOM 0 HG21 ILE A 49 23.008 -26.674 12.895 1.00 14.37 H new ATOM 0 HG22 ILE A 49 23.377 -28.206 13.056 1.00 14.37 H new ATOM 0 HG23 ILE A 49 21.876 -27.777 12.788 1.00 14.37 H new ATOM 0 HD11 ILE A 49 21.005 -24.350 14.921 1.00 10.23 H new ATOM 0 HD12 ILE A 49 22.455 -24.732 15.430 1.00 10.23 H new ATOM 0 HD13 ILE A 49 22.115 -24.798 13.885 1.00 10.23 H new ATOM 370 N VAL A 50 24.015 -30.053 15.227 1.00 16.05 N ATOM 371 CA VAL A 50 24.935 -31.075 14.757 1.00 20.42 C ATOM 372 C VAL A 50 24.716 -32.478 15.265 1.00 22.53 C ATOM 373 O VAL A 50 24.734 -33.441 14.493 1.00 24.70 O ATOM 374 CB VAL A 50 26.374 -30.670 15.097 1.00 25.75 C ATOM 375 CG1 VAL A 50 27.301 -31.828 14.748 1.00 27.54 C ATOM 376 CG2 VAL A 50 26.765 -29.424 14.318 1.00 25.19 C ATOM 0 H VAL A 50 24.345 -29.524 15.819 1.00 16.05 H new ATOM 0 HA VAL A 50 24.762 -31.115 13.803 1.00 20.42 H new ATOM 0 HB VAL A 50 26.446 -30.469 16.043 1.00 25.75 H new ATOM 0 HG11 VAL A 50 28.216 -31.585 14.958 1.00 27.54 H new ATOM 0 HG12 VAL A 50 27.049 -32.611 15.262 1.00 27.54 H new ATOM 0 HG13 VAL A 50 27.229 -32.026 13.801 1.00 27.54 H new ATOM 0 HG21 VAL A 50 27.676 -29.176 14.540 1.00 25.19 H new ATOM 0 HG22 VAL A 50 26.702 -29.604 13.367 1.00 25.19 H new ATOM 0 HG23 VAL A 50 26.167 -28.696 14.550 1.00 25.19 H new ATOM 377 N ASN A 51 24.562 -32.580 16.585 1.00 18.72 N ATOM 378 CA ASN A 51 24.427 -33.862 17.237 1.00 16.47 C ATOM 379 C ASN A 51 23.057 -34.488 17.256 1.00 20.13 C ATOM 380 O ASN A 51 22.911 -35.711 17.187 1.00 23.36 O ATOM 381 CB ASN A 51 25.076 -33.873 18.637 1.00 20.73 C ATOM 382 CG ASN A 51 26.513 -33.371 18.634 1.00 33.09 C ATOM 383 OD1 ASN A 51 27.304 -33.705 17.748 1.00 39.28 O ATOM 384 ND2 ASN A 51 26.856 -32.574 19.638 1.00 33.48 N ATOM 0 H ASN A 51 24.534 -31.906 17.118 1.00 18.72 H new ATOM 0 HA ASN A 51 24.926 -34.448 16.646 1.00 16.47 H new ATOM 0 HB2 ASN A 51 24.548 -33.322 19.236 1.00 20.73 H new ATOM 0 HB3 ASN A 51 25.056 -34.776 18.990 1.00 20.73 H new ATOM 0 HD21 ASN A 51 27.658 -32.268 19.690 1.00 33.48 H new ATOM 0 HD22 ASN A 51 26.276 -32.363 20.237 1.00 33.48 H new ATOM 385 N GLU A 52 22.037 -33.680 17.365 1.00 18.05 N ATOM 386 CA GLU A 52 20.703 -34.257 17.390 1.00 17.65 C ATOM 387 C GLU A 52 20.041 -34.179 16.038 1.00 18.50 C ATOM 388 O GLU A 52 19.522 -35.137 15.503 1.00 20.76 O ATOM 389 CB GLU A 52 19.792 -33.531 18.393 1.00 19.45 C ATOM 390 CG GLU A 52 20.387 -33.461 19.798 1.00 25.65 C ATOM 391 CD GLU A 52 20.113 -34.701 20.606 1.00 42.40 C ATOM 392 OE1 GLU A 52 19.407 -35.620 20.215 1.00 30.08 O ATOM 393 OE2 GLU A 52 20.732 -34.685 21.762 1.00 44.03 O ATOM 0 H GLU A 52 22.079 -32.823 17.425 1.00 18.05 H new ATOM 0 HA GLU A 52 20.818 -35.184 17.653 1.00 17.65 H new ATOM 0 HB2 GLU A 52 19.621 -32.631 18.074 1.00 19.45 H new ATOM 0 HB3 GLU A 52 18.936 -33.985 18.432 1.00 19.45 H new ATOM 0 HG2 GLU A 52 21.345 -33.327 19.733 1.00 25.65 H new ATOM 0 HG3 GLU A 52 20.023 -32.690 20.261 1.00 25.65 H new ATOM 394 N GLN A 53 20.045 -32.998 15.477 1.00 14.44 N ATOM 395 CA GLN A 53 19.404 -32.848 14.197 1.00 12.74 C ATOM 396 C GLN A 53 20.200 -33.439 13.042 1.00 20.70 C ATOM 397 O GLN A 53 19.662 -33.658 11.954 1.00 22.87 O ATOM 398 CB GLN A 53 19.153 -31.346 13.935 1.00 10.64 C ATOM 399 CG GLN A 53 18.141 -30.749 14.913 1.00 12.08 C ATOM 400 CD GLN A 53 17.745 -29.350 14.462 1.00 17.00 C ATOM 401 OE1 GLN A 53 18.527 -28.622 13.854 1.00 16.84 O ATOM 402 NE2 GLN A 53 16.517 -28.948 14.748 1.00 18.34 N ATOM 0 H GLN A 53 20.401 -32.288 15.806 1.00 14.44 H new ATOM 0 HA GLN A 53 18.571 -33.344 14.237 1.00 12.74 H new ATOM 0 HB2 GLN A 53 19.991 -30.863 14.005 1.00 10.64 H new ATOM 0 HB3 GLN A 53 18.832 -31.227 13.027 1.00 10.64 H new ATOM 0 HG2 GLN A 53 17.355 -31.315 14.963 1.00 12.08 H new ATOM 0 HG3 GLN A 53 18.523 -30.714 15.804 1.00 12.08 H new ATOM 0 HE21 GLN A 53 15.982 -29.470 15.174 1.00 18.34 H new ATOM 0 HE22 GLN A 53 16.254 -28.165 14.508 1.00 18.34 H new ATOM 403 N HIS A 54 21.487 -33.637 13.231 1.00 13.43 N ATOM 404 CA HIS A 54 22.337 -34.099 12.147 1.00 18.81 C ATOM 405 C HIS A 54 22.303 -33.141 10.984 1.00 20.95 C ATOM 406 O HIS A 54 22.337 -33.560 9.831 1.00 23.80 O ATOM 407 CB HIS A 54 22.019 -35.506 11.659 1.00 28.09 C ATOM 408 CG HIS A 54 22.033 -36.409 12.836 1.00 42.73 C ATOM 409 ND1 HIS A 54 23.230 -36.894 13.345 1.00 47.75 N ATOM 410 CD2 HIS A 54 21.000 -36.839 13.622 1.00 55.88 C ATOM 411 CE1 HIS A 54 22.908 -37.625 14.408 1.00 54.55 C ATOM 412 NE2 HIS A 54 21.578 -37.619 14.602 1.00 58.51 N ATOM 0 H HIS A 54 21.893 -33.511 13.979 1.00 13.43 H new ATOM 0 HA HIS A 54 23.230 -34.131 12.525 1.00 18.81 H new ATOM 0 HB2 HIS A 54 21.152 -35.527 11.225 1.00 28.09 H new ATOM 0 HB3 HIS A 54 22.672 -35.794 11.002 1.00 28.09 H new ATOM 0 HD2 HIS A 54 20.096 -36.646 13.518 1.00 55.88 H new ATOM 0 HE1 HIS A 54 23.519 -38.078 14.943 1.00 54.55 H new ATOM 0 HE2 HIS A 54 21.159 -38.031 15.230 1.00 58.51 H new ATOM 413 N ALA A 55 22.233 -31.857 11.296 1.00 15.94 N ATOM 414 CA ALA A 55 22.217 -30.842 10.282 1.00 14.69 C ATOM 415 C ALA A 55 23.456 -29.972 10.410 1.00 18.84 C ATOM 416 O ALA A 55 24.409 -30.341 11.086 1.00 18.71 O ATOM 417 CB ALA A 55 20.930 -30.025 10.308 1.00 14.21 C ATOM 0 H ALA A 55 22.194 -31.558 12.101 1.00 15.94 H new ATOM 0 HA ALA A 55 22.236 -31.273 9.413 1.00 14.69 H new ATOM 0 HB1 ALA A 55 20.959 -29.352 9.610 1.00 14.21 H new ATOM 0 HB2 ALA A 55 20.171 -30.611 10.160 1.00 14.21 H new ATOM 0 HB3 ALA A 55 20.839 -29.591 11.171 1.00 14.21 H new ATOM 418 N VAL A 56 23.429 -28.811 9.783 1.00 14.25 N ATOM 419 CA VAL A 56 24.557 -27.939 9.839 1.00 14.38 C ATOM 420 C VAL A 56 24.140 -26.472 9.925 1.00 15.32 C ATOM 421 O VAL A 56 23.141 -26.081 9.354 1.00 16.21 O ATOM 422 CB VAL A 56 25.332 -28.289 8.573 1.00 24.71 C ATOM 423 CG1 VAL A 56 25.726 -27.106 7.739 1.00 23.68 C ATOM 424 CG2 VAL A 56 26.530 -29.147 8.941 1.00 28.46 C ATOM 0 H VAL A 56 22.764 -28.518 9.323 1.00 14.25 H new ATOM 0 HA VAL A 56 25.100 -28.056 10.634 1.00 14.38 H new ATOM 0 HB VAL A 56 24.730 -28.791 8.001 1.00 24.71 H new ATOM 0 HG11 VAL A 56 26.212 -27.409 6.956 1.00 23.68 H new ATOM 0 HG12 VAL A 56 24.930 -26.627 7.459 1.00 23.68 H new ATOM 0 HG13 VAL A 56 26.291 -26.515 8.261 1.00 23.68 H new ATOM 0 HG21 VAL A 56 27.026 -29.372 8.138 1.00 28.46 H new ATOM 0 HG22 VAL A 56 27.105 -28.657 9.549 1.00 28.46 H new ATOM 0 HG23 VAL A 56 26.225 -29.961 9.371 1.00 28.46 H new ATOM 425 N SER A 57 24.907 -25.655 10.656 1.00 10.60 N ATOM 426 CA SER A 57 24.568 -24.267 10.732 1.00 12.60 C ATOM 427 C SER A 57 25.065 -23.568 9.485 1.00 16.82 C ATOM 428 O SER A 57 26.229 -23.664 9.135 1.00 15.52 O ATOM 429 CB SER A 57 25.196 -23.575 11.932 1.00 15.66 C ATOM 430 OG SER A 57 25.295 -22.189 11.642 1.00 16.82 O ATOM 0 H SER A 57 25.606 -25.892 11.098 1.00 10.60 H new ATOM 0 HA SER A 57 23.603 -24.214 10.819 1.00 12.60 H new ATOM 0 HB2 SER A 57 24.656 -23.717 12.725 1.00 15.66 H new ATOM 0 HB3 SER A 57 26.073 -23.946 12.116 1.00 15.66 H new ATOM 0 HG SER A 57 25.081 -21.744 12.322 1.00 16.82 H new ATOM 431 N ALA A 58 24.201 -22.822 8.838 1.00 11.67 N ATOM 432 CA ALA A 58 24.644 -22.115 7.664 1.00 15.11 C ATOM 433 C ALA A 58 25.500 -20.918 7.982 1.00 21.93 C ATOM 434 O ALA A 58 26.176 -20.368 7.090 1.00 18.69 O ATOM 435 CB ALA A 58 23.463 -21.637 6.820 1.00 15.86 C ATOM 0 H ALA A 58 23.376 -22.712 9.053 1.00 11.67 H new ATOM 0 HA ALA A 58 25.177 -22.758 7.170 1.00 15.11 H new ATOM 0 HB1 ALA A 58 23.793 -21.166 6.039 1.00 15.86 H new ATOM 0 HB2 ALA A 58 22.936 -22.401 6.538 1.00 15.86 H new ATOM 0 HB3 ALA A 58 22.909 -21.040 7.347 1.00 15.86 H new ATOM 436 N CYS A 59 25.446 -20.459 9.237 1.00 15.32 N ATOM 437 CA CYS A 59 26.199 -19.246 9.550 1.00 17.58 C ATOM 438 C CYS A 59 27.704 -19.417 9.727 1.00 13.78 C ATOM 439 O CYS A 59 28.470 -18.521 9.414 1.00 14.88 O ATOM 440 CB CYS A 59 25.638 -18.522 10.808 1.00 20.61 C ATOM 441 SG CYS A 59 23.886 -18.091 10.652 1.00 21.58 S ATOM 0 H CYS A 59 25.006 -20.812 9.886 1.00 15.32 H new ATOM 0 HA CYS A 59 26.074 -18.710 8.751 1.00 17.58 H new ATOM 0 HB2 CYS A 59 25.758 -19.092 11.584 1.00 20.61 H new ATOM 0 HB3 CYS A 59 26.152 -17.715 10.967 1.00 20.61 H new ATOM 0 HG CYS A 59 23.636 -17.164 11.371 1.00 21.58 H new ATOM 442 N LEU A 60 28.087 -20.549 10.286 1.00 14.99 N ATOM 443 CA LEU A 60 29.469 -20.837 10.624 1.00 14.89 C ATOM 444 C LEU A 60 30.381 -20.822 9.398 1.00 22.83 C ATOM 445 O LEU A 60 30.248 -21.664 8.498 1.00 21.28 O ATOM 446 CB LEU A 60 29.446 -22.169 11.397 1.00 16.19 C ATOM 447 CG LEU A 60 30.761 -22.587 12.027 1.00 28.72 C ATOM 448 CD1 LEU A 60 31.423 -21.417 12.746 1.00 25.80 C ATOM 449 CD2 LEU A 60 30.463 -23.707 13.017 1.00 44.18 C ATOM 0 H LEU A 60 27.543 -21.185 10.484 1.00 14.99 H new ATOM 0 HA LEU A 60 29.858 -20.147 11.184 1.00 14.89 H new ATOM 0 HB2 LEU A 60 28.777 -22.107 12.096 1.00 16.19 H new ATOM 0 HB3 LEU A 60 29.159 -22.870 10.792 1.00 16.19 H new ATOM 0 HG LEU A 60 31.374 -22.888 11.338 1.00 28.72 H new ATOM 0 HD11 LEU A 60 32.260 -21.710 13.139 1.00 25.80 H new ATOM 0 HD12 LEU A 60 31.596 -20.704 12.112 1.00 25.80 H new ATOM 0 HD13 LEU A 60 30.834 -21.092 13.445 1.00 25.80 H new ATOM 0 HD21 LEU A 60 31.288 -23.996 13.437 1.00 44.18 H new ATOM 0 HD22 LEU A 60 29.851 -23.384 13.696 1.00 44.18 H new ATOM 0 HD23 LEU A 60 30.060 -24.455 12.548 1.00 44.18 H new ATOM 450 N GLY A 61 31.270 -19.826 9.336 1.00 15.44 N ATOM 451 CA GLY A 61 32.183 -19.674 8.219 1.00 16.37 C ATOM 452 C GLY A 61 31.658 -18.832 7.054 1.00 20.51 C ATOM 453 O GLY A 61 32.406 -18.530 6.123 1.00 21.52 O ATOM 0 H GLY A 61 31.354 -19.224 9.944 1.00 15.44 H new ATOM 0 HA2 GLY A 61 33.004 -19.273 8.544 1.00 16.37 H new ATOM 0 HA3 GLY A 61 32.411 -20.556 7.885 1.00 16.37 H new ATOM 454 N TYR A 62 30.375 -18.479 7.082 1.00 16.89 N ATOM 455 CA TYR A 62 29.767 -17.690 6.002 1.00 17.18 C ATOM 456 C TYR A 62 30.392 -16.318 5.958 1.00 17.21 C ATOM 457 O TYR A 62 30.224 -15.516 6.877 1.00 19.81 O ATOM 458 CB TYR A 62 28.266 -17.550 6.288 1.00 18.06 C ATOM 459 CG TYR A 62 27.487 -16.930 5.154 1.00 21.69 C ATOM 460 CD1 TYR A 62 27.305 -17.663 3.984 1.00 26.81 C ATOM 461 CD2 TYR A 62 26.896 -15.671 5.256 1.00 24.98 C ATOM 462 CE1 TYR A 62 26.561 -17.158 2.920 1.00 22.38 C ATOM 463 CE2 TYR A 62 26.150 -15.148 4.196 1.00 23.08 C ATOM 464 CZ TYR A 62 25.981 -15.900 3.032 1.00 26.57 C ATOM 465 OH TYR A 62 25.254 -15.415 1.964 1.00 45.42 O ATOM 0 H TYR A 62 29.834 -18.685 7.718 1.00 16.89 H new ATOM 0 HA TYR A 62 29.910 -18.133 5.151 1.00 17.18 H new ATOM 0 HB2 TYR A 62 27.899 -18.427 6.481 1.00 18.06 H new ATOM 0 HB3 TYR A 62 28.146 -17.011 7.085 1.00 18.06 H new ATOM 0 HD1 TYR A 62 27.688 -18.507 3.911 1.00 26.81 H new ATOM 0 HD2 TYR A 62 26.999 -15.175 6.036 1.00 24.98 H new ATOM 0 HE1 TYR A 62 26.454 -17.657 2.143 1.00 22.38 H new ATOM 0 HE2 TYR A 62 25.768 -14.303 4.266 1.00 23.08 H new ATOM 0 HH TYR A 62 24.494 -15.174 2.228 1.00 45.42 H new ATOM 466 N HIS A 63 31.142 -16.020 4.903 1.00 20.08 N ATOM 467 CA HIS A 63 31.824 -14.736 4.859 1.00 22.31 C ATOM 468 C HIS A 63 32.735 -14.609 6.078 1.00 20.74 C ATOM 469 O HIS A 63 33.102 -13.520 6.485 1.00 24.72 O ATOM 470 CB HIS A 63 30.908 -13.487 4.700 1.00 23.76 C ATOM 471 CG HIS A 63 30.152 -13.583 3.418 1.00 30.71 C ATOM 472 ND1 HIS A 63 28.972 -14.181 3.156 1.00 38.53 N flip ATOM 473 CD2 HIS A 63 30.637 -13.070 2.230 1.00 38.48 C flip ATOM 474 CE1 HIS A 63 28.735 -14.020 1.816 1.00 37.62 C flip ATOM 475 NE2 HIS A 63 29.738 -13.353 1.294 1.00 38.54 N flip ATOM 0 H HIS A 63 31.266 -16.531 4.222 1.00 20.08 H new ATOM 0 HA HIS A 63 32.343 -14.739 4.040 1.00 22.31 H new ATOM 0 HB2 HIS A 63 30.291 -13.429 5.447 1.00 23.76 H new ATOM 0 HB3 HIS A 63 31.443 -12.678 4.711 1.00 23.76 H new ATOM 0 HD1 HIS A 63 28.466 -14.586 3.721 1.00 38.53 H new ATOM 0 HD2 HIS A 63 31.439 -12.614 2.109 1.00 38.48 H new ATOM 0 HE1 HIS A 63 27.990 -14.331 1.354 1.00 37.62 H new ATOM 476 N GLY A 64 33.089 -15.739 6.684 1.00 17.31 N ATOM 477 CA GLY A 64 33.967 -15.707 7.829 1.00 16.38 C ATOM 478 C GLY A 64 33.268 -15.590 9.185 1.00 23.85 C ATOM 479 O GLY A 64 33.919 -15.459 10.212 1.00 17.46 O ATOM 0 H GLY A 64 32.831 -16.524 6.445 1.00 17.31 H new ATOM 0 HA2 GLY A 64 34.506 -16.514 7.828 1.00 16.38 H new ATOM 0 HA3 GLY A 64 34.576 -14.959 7.730 1.00 16.38 H new ATOM 480 N TYR A 65 31.951 -15.655 9.223 1.00 18.51 N ATOM 481 CA TYR A 65 31.232 -15.557 10.516 1.00 14.96 C ATOM 482 C TYR A 65 31.718 -16.651 11.441 1.00 14.22 C ATOM 483 O TYR A 65 31.788 -17.840 11.087 1.00 17.48 O ATOM 484 CB TYR A 65 29.713 -15.617 10.315 1.00 17.49 C ATOM 485 CG TYR A 65 28.968 -15.274 11.583 1.00 17.56 C ATOM 486 CD1 TYR A 65 28.787 -13.938 11.952 1.00 16.90 C ATOM 487 CD2 TYR A 65 28.462 -16.300 12.383 1.00 18.16 C ATOM 488 CE1 TYR A 65 28.127 -13.620 13.141 1.00 18.46 C ATOM 489 CE2 TYR A 65 27.800 -15.994 13.572 1.00 16.75 C ATOM 490 CZ TYR A 65 27.625 -14.658 13.933 1.00 18.87 C ATOM 491 OH TYR A 65 26.944 -14.363 15.091 1.00 19.98 O ATOM 0 H TYR A 65 31.447 -15.754 8.533 1.00 18.51 H new ATOM 0 HA TYR A 65 31.423 -14.697 10.922 1.00 14.96 H new ATOM 0 HB2 TYR A 65 29.455 -15.001 9.611 1.00 17.49 H new ATOM 0 HB3 TYR A 65 29.460 -16.506 10.021 1.00 17.49 H new ATOM 0 HD1 TYR A 65 29.107 -13.258 11.404 1.00 16.90 H new ATOM 0 HD2 TYR A 65 28.566 -17.187 12.123 1.00 18.16 H new ATOM 0 HE1 TYR A 65 28.023 -12.733 13.402 1.00 18.46 H new ATOM 0 HE2 TYR A 65 27.478 -16.674 14.119 1.00 16.75 H new ATOM 0 HH TYR A 65 26.507 -15.036 15.338 1.00 19.98 H new ATOM 492 N PRO A 66 32.082 -16.259 12.645 1.00 14.87 N ATOM 493 CA PRO A 66 32.707 -17.191 13.548 1.00 16.80 C ATOM 494 C PRO A 66 31.871 -18.114 14.394 1.00 17.95 C ATOM 495 O PRO A 66 32.426 -19.051 14.996 1.00 17.54 O ATOM 496 CB PRO A 66 33.563 -16.305 14.476 1.00 19.92 C ATOM 497 CG PRO A 66 32.824 -14.978 14.523 1.00 19.46 C ATOM 498 CD PRO A 66 32.006 -14.895 13.232 1.00 16.81 C ATOM 0 HA PRO A 66 33.165 -17.832 12.982 1.00 16.80 H new ATOM 0 HB2 PRO A 66 33.645 -16.695 15.360 1.00 19.92 H new ATOM 0 HB3 PRO A 66 34.463 -16.196 14.130 1.00 19.92 H new ATOM 0 HG2 PRO A 66 32.247 -14.931 15.302 1.00 19.46 H new ATOM 0 HG3 PRO A 66 33.447 -14.237 14.586 1.00 19.46 H new ATOM 0 HD2 PRO A 66 31.088 -14.640 13.413 1.00 16.81 H new ATOM 0 HD3 PRO A 66 32.370 -14.231 12.627 1.00 16.81 H new ATOM 499 N LYS A 67 30.580 -17.860 14.487 1.00 13.13 N ATOM 500 CA LYS A 67 29.761 -18.681 15.369 1.00 13.04 C ATOM 501 C LYS A 67 28.641 -19.370 14.649 1.00 15.89 C ATOM 502 O LYS A 67 28.500 -19.215 13.444 1.00 18.66 O ATOM 503 CB LYS A 67 29.198 -17.785 16.464 1.00 13.51 C ATOM 504 CG LYS A 67 30.299 -17.213 17.328 1.00 15.03 C ATOM 505 CD LYS A 67 30.857 -18.296 18.226 1.00 14.57 C ATOM 506 CE LYS A 67 31.892 -17.799 19.215 1.00 26.80 C ATOM 507 NZ LYS A 67 32.355 -18.922 20.050 1.00 31.19 N ATOM 0 H LYS A 67 30.164 -17.238 14.064 1.00 13.13 H new ATOM 0 HA LYS A 67 30.322 -19.381 15.739 1.00 13.04 H new ATOM 0 HB2 LYS A 67 28.690 -17.062 16.064 1.00 13.51 H new ATOM 0 HB3 LYS A 67 28.582 -18.293 17.015 1.00 13.51 H new ATOM 0 HG2 LYS A 67 31.004 -16.848 16.770 1.00 15.03 H new ATOM 0 HG3 LYS A 67 29.955 -16.482 17.864 1.00 15.03 H new ATOM 0 HD2 LYS A 67 30.127 -18.707 18.714 1.00 14.57 H new ATOM 0 HD3 LYS A 67 31.255 -18.988 17.675 1.00 14.57 H new ATOM 0 HE2 LYS A 67 32.642 -17.405 18.742 1.00 26.80 H new ATOM 0 HE3 LYS A 67 31.511 -17.104 19.774 1.00 26.80 H new ATOM 0 HZ1 LYS A 67 32.930 -18.622 20.659 1.00 31.19 H new ATOM 0 HZ2 LYS A 67 31.658 -19.295 20.459 1.00 31.19 H new ATOM 0 HZ3 LYS A 67 32.757 -19.528 19.537 1.00 31.19 H new ATOM 508 N SER A 68 27.809 -20.084 15.400 1.00 11.36 N ATOM 509 CA SER A 68 26.719 -20.831 14.774 1.00 11.44 C ATOM 510 C SER A 68 25.385 -20.125 14.613 1.00 21.10 C ATOM 511 O SER A 68 24.592 -20.502 13.743 1.00 16.13 O ATOM 512 CB SER A 68 26.466 -22.162 15.466 1.00 14.98 C ATOM 513 OG SER A 68 27.673 -22.882 15.421 1.00 37.06 O ATOM 0 H SER A 68 27.854 -20.150 16.256 1.00 11.36 H new ATOM 0 HA SER A 68 27.066 -20.948 13.876 1.00 11.44 H new ATOM 0 HB2 SER A 68 26.182 -22.024 16.383 1.00 14.98 H new ATOM 0 HB3 SER A 68 25.757 -22.652 15.020 1.00 14.98 H new ATOM 0 HG SER A 68 27.508 -23.703 15.351 1.00 37.06 H new ATOM 514 N VAL A 69 25.103 -19.161 15.477 1.00 14.00 N ATOM 515 CA VAL A 69 23.854 -18.405 15.420 1.00 11.51 C ATOM 516 C VAL A 69 24.193 -16.959 15.673 1.00 15.19 C ATOM 517 O VAL A 69 25.314 -16.644 16.100 1.00 14.20 O ATOM 518 CB VAL A 69 22.824 -18.912 16.476 1.00 14.32 C ATOM 519 CG1 VAL A 69 22.394 -20.366 16.215 1.00 11.75 C ATOM 520 CG2 VAL A 69 23.353 -18.755 17.911 1.00 11.44 C ATOM 0 H VAL A 69 25.629 -18.924 16.115 1.00 14.00 H new ATOM 0 HA VAL A 69 23.441 -18.520 14.550 1.00 11.51 H new ATOM 0 HB VAL A 69 22.038 -18.351 16.382 1.00 14.32 H new ATOM 0 HG11 VAL A 69 21.756 -20.641 16.891 1.00 11.75 H new ATOM 0 HG12 VAL A 69 21.983 -20.430 15.339 1.00 11.75 H new ATOM 0 HG13 VAL A 69 23.172 -20.945 16.250 1.00 11.75 H new ATOM 0 HG21 VAL A 69 22.688 -19.079 18.538 1.00 11.44 H new ATOM 0 HG22 VAL A 69 24.170 -19.268 18.013 1.00 11.44 H new ATOM 0 HG23 VAL A 69 23.535 -17.819 18.088 1.00 11.44 H new ATOM 521 N CYS A 70 23.248 -16.087 15.395 1.00 9.13 N ATOM 522 CA CYS A 70 23.420 -14.678 15.693 1.00 10.72 C ATOM 523 C CYS A 70 22.546 -14.345 16.881 1.00 15.90 C ATOM 524 O CYS A 70 21.350 -14.656 16.897 1.00 13.76 O ATOM 525 CB CYS A 70 22.997 -13.734 14.563 1.00 15.92 C ATOM 526 SG CYS A 70 24.001 -13.995 13.079 1.00 19.57 S ATOM 0 H CYS A 70 22.495 -16.288 15.032 1.00 9.13 H new ATOM 0 HA CYS A 70 24.369 -14.546 15.846 1.00 10.72 H new ATOM 0 HB2 CYS A 70 22.061 -13.877 14.352 1.00 15.92 H new ATOM 0 HB3 CYS A 70 23.084 -12.814 14.857 1.00 15.92 H new ATOM 0 HG CYS A 70 25.140 -14.200 13.397 1.00 19.57 H new ATOM 527 N ILE A 71 23.144 -13.681 17.875 1.00 12.30 N ATOM 528 CA ILE A 71 22.376 -13.308 19.085 1.00 11.10 C ATOM 529 C ILE A 71 22.513 -11.816 19.315 1.00 15.62 C ATOM 530 O ILE A 71 23.609 -11.330 19.596 1.00 15.18 O ATOM 531 CB ILE A 71 22.827 -14.125 20.283 1.00 13.28 C ATOM 532 CG1 ILE A 71 22.557 -15.609 19.981 1.00 14.19 C ATOM 533 CG2 ILE A 71 22.017 -13.682 21.501 1.00 13.68 C ATOM 534 CD1 ILE A 71 22.981 -16.559 21.096 1.00 13.71 C ATOM 0 H ILE A 71 23.969 -13.440 17.877 1.00 12.30 H new ATOM 0 HA ILE A 71 21.436 -13.510 18.957 1.00 11.10 H new ATOM 0 HB ILE A 71 23.772 -13.996 20.460 1.00 13.28 H new ATOM 0 HG12 ILE A 71 21.609 -15.727 19.812 1.00 14.19 H new ATOM 0 HG13 ILE A 71 23.023 -15.853 19.166 1.00 14.19 H new ATOM 0 HG21 ILE A 71 22.293 -14.195 22.277 1.00 13.68 H new ATOM 0 HG22 ILE A 71 22.170 -12.739 21.666 1.00 13.68 H new ATOM 0 HG23 ILE A 71 21.073 -13.831 21.334 1.00 13.68 H new ATOM 0 HD11 ILE A 71 22.781 -17.472 20.837 1.00 13.71 H new ATOM 0 HD12 ILE A 71 23.934 -16.469 21.253 1.00 13.71 H new ATOM 0 HD13 ILE A 71 22.498 -16.341 21.908 1.00 13.71 H new ATOM 535 N SER A 72 21.399 -11.091 19.179 1.00 10.82 N ATOM 536 CA SER A 72 21.424 -9.652 19.251 1.00 10.95 C ATOM 537 C SER A 72 20.618 -9.095 20.412 1.00 18.79 C ATOM 538 O SER A 72 19.396 -9.142 20.417 1.00 14.50 O ATOM 539 CB SER A 72 20.953 -9.045 17.899 1.00 10.64 C ATOM 540 OG SER A 72 21.610 -9.707 16.834 1.00 14.47 O ATOM 0 H SER A 72 20.619 -11.428 19.044 1.00 10.82 H new ATOM 0 HA SER A 72 22.343 -9.391 19.419 1.00 10.95 H new ATOM 0 HB2 SER A 72 19.992 -9.139 17.808 1.00 10.64 H new ATOM 0 HB3 SER A 72 21.149 -8.095 17.873 1.00 10.64 H new ATOM 0 HG SER A 72 21.184 -10.402 16.631 1.00 14.47 H new ATOM 541 N ILE A 73 21.337 -8.514 21.362 1.00 14.69 N ATOM 542 CA ILE A 73 20.726 -7.937 22.546 1.00 13.67 C ATOM 543 C ILE A 73 20.431 -6.445 22.490 1.00 13.30 C ATOM 544 O ILE A 73 21.276 -5.635 22.102 1.00 15.03 O ATOM 545 CB ILE A 73 21.661 -8.203 23.745 1.00 20.99 C ATOM 546 CG1 ILE A 73 21.994 -9.692 23.846 1.00 23.11 C ATOM 547 CG2 ILE A 73 20.961 -7.768 25.038 1.00 17.66 C ATOM 548 CD1 ILE A 73 22.992 -10.027 24.955 1.00 26.14 C ATOM 0 H ILE A 73 22.194 -8.444 21.337 1.00 14.69 H new ATOM 0 HA ILE A 73 19.859 -8.365 22.625 1.00 13.67 H new ATOM 0 HB ILE A 73 22.481 -7.700 23.616 1.00 20.99 H new ATOM 0 HG12 ILE A 73 21.175 -10.188 23.999 1.00 23.11 H new ATOM 0 HG13 ILE A 73 22.354 -9.993 22.997 1.00 23.11 H new ATOM 0 HG21 ILE A 73 21.546 -7.934 25.794 1.00 17.66 H new ATOM 0 HG22 ILE A 73 20.754 -6.822 24.991 1.00 17.66 H new ATOM 0 HG23 ILE A 73 20.140 -8.273 25.148 1.00 17.66 H new ATOM 0 HD11 ILE A 73 23.158 -10.983 24.964 1.00 26.14 H new ATOM 0 HD12 ILE A 73 23.825 -9.556 24.794 1.00 26.14 H new ATOM 0 HD13 ILE A 73 22.627 -9.755 25.812 1.00 26.14 H new ATOM 549 N ASN A 74 19.232 -6.066 22.949 1.00 13.30 N ATOM 550 CA ASN A 74 18.827 -4.670 23.076 1.00 12.91 C ATOM 551 C ASN A 74 19.113 -3.808 21.873 1.00 18.50 C ATOM 552 O ASN A 74 18.510 -4.002 20.825 1.00 16.82 O ATOM 553 CB ASN A 74 19.440 -4.032 24.350 1.00 13.09 C ATOM 554 CG ASN A 74 18.937 -4.729 25.604 1.00 19.12 C ATOM 555 OD1 ASN A 74 17.842 -5.327 25.614 1.00 17.24 O ATOM 556 ND2 ASN A 74 19.759 -4.742 26.652 1.00 20.74 N ATOM 0 H ASN A 74 18.627 -6.624 23.197 1.00 13.30 H new ATOM 0 HA ASN A 74 17.860 -4.700 23.148 1.00 12.91 H new ATOM 0 HB2 ASN A 74 20.408 -4.088 24.311 1.00 13.09 H new ATOM 0 HB3 ASN A 74 19.212 -3.090 24.386 1.00 13.09 H new ATOM 0 HD21 ASN A 74 19.541 -5.172 27.364 1.00 20.74 H new ATOM 0 HD22 ASN A 74 20.508 -4.321 26.616 1.00 20.74 H new ATOM 557 N GLU A 75 20.034 -2.855 22.026 1.00 11.75 N ATOM 558 CA GLU A 75 20.371 -1.963 20.931 1.00 14.81 C ATOM 559 C GLU A 75 21.109 -2.615 19.729 1.00 17.98 C ATOM 560 O GLU A 75 21.278 -2.006 18.666 1.00 18.68 O ATOM 561 CB GLU A 75 21.047 -0.685 21.428 1.00 18.62 C ATOM 562 CG GLU A 75 22.557 -0.858 21.719 1.00 19.41 C ATOM 563 CD GLU A 75 22.899 -1.683 22.923 1.00 41.97 C ATOM 564 OE1 GLU A 75 24.016 -2.114 23.105 1.00 54.22 O ATOM 565 OE2 GLU A 75 21.907 -1.873 23.760 1.00 25.48 O ATOM 0 H GLU A 75 20.470 -2.713 22.754 1.00 11.75 H new ATOM 0 HA GLU A 75 19.515 -1.715 20.549 1.00 14.81 H new ATOM 0 HB2 GLU A 75 20.931 0.013 20.764 1.00 18.62 H new ATOM 0 HB3 GLU A 75 20.602 -0.385 22.236 1.00 18.62 H new ATOM 0 HG2 GLU A 75 22.975 -1.262 20.942 1.00 19.41 H new ATOM 0 HG3 GLU A 75 22.951 0.022 21.828 1.00 19.41 H new ATOM 566 N VAL A 76 21.542 -3.861 19.872 1.00 13.99 N ATOM 567 CA VAL A 76 22.175 -4.523 18.752 1.00 14.63 C ATOM 568 C VAL A 76 21.047 -4.888 17.800 1.00 19.47 C ATOM 569 O VAL A 76 20.103 -5.562 18.212 1.00 17.84 O ATOM 570 CB VAL A 76 22.932 -5.767 19.196 1.00 16.51 C ATOM 571 CG1 VAL A 76 23.480 -6.469 17.961 1.00 19.87 C ATOM 572 CG2 VAL A 76 24.108 -5.344 20.077 1.00 18.29 C ATOM 0 H VAL A 76 21.480 -4.328 20.592 1.00 13.99 H new ATOM 0 HA VAL A 76 22.831 -3.947 18.329 1.00 14.63 H new ATOM 0 HB VAL A 76 22.341 -6.358 19.688 1.00 16.51 H new ATOM 0 HG11 VAL A 76 23.965 -7.265 18.230 1.00 19.87 H new ATOM 0 HG12 VAL A 76 22.746 -6.720 17.379 1.00 19.87 H new ATOM 0 HG13 VAL A 76 24.078 -5.870 17.487 1.00 19.87 H new ATOM 0 HG21 VAL A 76 24.596 -6.131 20.365 1.00 18.29 H new ATOM 0 HG22 VAL A 76 24.699 -4.764 19.572 1.00 18.29 H new ATOM 0 HG23 VAL A 76 23.776 -4.868 20.854 1.00 18.29 H new ATOM 573 N VAL A 77 21.153 -4.425 16.550 1.00 15.02 N ATOM 574 CA VAL A 77 20.146 -4.617 15.517 1.00 14.55 C ATOM 575 C VAL A 77 20.134 -6.015 14.930 1.00 15.25 C ATOM 576 O VAL A 77 19.067 -6.668 14.821 1.00 18.23 O ATOM 577 CB VAL A 77 20.282 -3.555 14.418 1.00 18.81 C ATOM 578 CG1 VAL A 77 19.269 -3.792 13.276 1.00 16.97 C ATOM 579 CG2 VAL A 77 20.084 -2.162 15.036 1.00 19.22 C ATOM 0 H VAL A 77 21.836 -3.978 16.278 1.00 15.02 H new ATOM 0 HA VAL A 77 19.287 -4.508 15.955 1.00 14.55 H new ATOM 0 HB VAL A 77 21.170 -3.617 14.032 1.00 18.81 H new ATOM 0 HG11 VAL A 77 19.379 -3.107 12.598 1.00 16.97 H new ATOM 0 HG12 VAL A 77 19.424 -4.664 12.881 1.00 16.97 H new ATOM 0 HG13 VAL A 77 18.367 -3.754 13.630 1.00 16.97 H new ATOM 0 HG21 VAL A 77 20.169 -1.486 14.345 1.00 19.22 H new ATOM 0 HG22 VAL A 77 19.201 -2.107 15.435 1.00 19.22 H new ATOM 0 HG23 VAL A 77 20.757 -2.012 15.719 1.00 19.22 H new ATOM 580 N CYS A 78 21.339 -6.433 14.546 1.00 16.92 N ATOM 581 CA CYS A 78 21.543 -7.752 13.984 1.00 16.14 C ATOM 582 C CYS A 78 23.021 -8.148 14.011 1.00 18.29 C ATOM 583 O CYS A 78 23.905 -7.330 14.283 1.00 16.71 O ATOM 584 CB CYS A 78 20.980 -7.803 12.546 1.00 19.21 C ATOM 585 SG CYS A 78 21.843 -6.628 11.457 1.00 23.32 S ATOM 0 H CYS A 78 22.053 -5.958 14.606 1.00 16.92 H new ATOM 0 HA CYS A 78 21.064 -8.395 14.530 1.00 16.14 H new ATOM 0 HB2 CYS A 78 21.071 -8.702 12.192 1.00 19.21 H new ATOM 0 HB3 CYS A 78 20.032 -7.598 12.560 1.00 19.21 H new ATOM 0 HG CYS A 78 21.383 -6.695 10.351 1.00 23.32 H new ATOM 586 N HIS A 79 23.241 -9.432 13.701 1.00 15.59 N ATOM 587 CA HIS A 79 24.555 -10.050 13.620 1.00 17.00 C ATOM 588 C HIS A 79 25.325 -10.077 14.909 1.00 23.27 C ATOM 589 O HIS A 79 26.535 -10.271 14.862 1.00 25.26 O ATOM 590 CB HIS A 79 25.429 -9.457 12.494 1.00 20.65 C ATOM 591 CG HIS A 79 24.644 -9.522 11.235 1.00 28.19 C ATOM 592 ND1 HIS A 79 24.993 -8.789 10.108 1.00 31.43 N ATOM 593 CD2 HIS A 79 23.490 -10.219 10.985 1.00 31.37 C ATOM 594 CE1 HIS A 79 24.061 -9.075 9.200 1.00 31.90 C ATOM 595 NE2 HIS A 79 23.143 -9.923 9.688 1.00 31.94 N ATOM 0 H HIS A 79 22.601 -9.980 13.527 1.00 15.59 H new ATOM 0 HA HIS A 79 24.350 -10.973 13.404 1.00 17.00 H new ATOM 0 HB2 HIS A 79 25.671 -8.540 12.698 1.00 20.65 H new ATOM 0 HB3 HIS A 79 26.256 -9.956 12.406 1.00 20.65 H new ATOM 0 HD2 HIS A 79 23.035 -10.778 11.573 1.00 31.37 H new ATOM 0 HE1 HIS A 79 24.048 -8.730 8.336 1.00 31.90 H new ATOM 0 HE2 HIS A 79 22.459 -10.227 9.265 1.00 31.94 H new ATOM 596 N GLY A 80 24.646 -9.902 16.041 1.00 14.24 N ATOM 597 CA GLY A 80 25.384 -9.931 17.287 1.00 13.34 C ATOM 598 C GLY A 80 26.140 -11.246 17.401 1.00 17.24 C ATOM 599 O GLY A 80 25.625 -12.341 17.159 1.00 16.79 O ATOM 0 H GLY A 80 23.798 -9.771 16.105 1.00 14.24 H new ATOM 0 HA2 GLY A 80 26.004 -9.186 17.324 1.00 13.34 H new ATOM 0 HA3 GLY A 80 24.776 -9.831 18.036 1.00 13.34 H new ATOM 600 N ILE A 81 27.394 -11.136 17.805 1.00 17.16 N ATOM 601 CA ILE A 81 28.227 -12.296 17.934 1.00 15.15 C ATOM 602 C ILE A 81 28.202 -12.892 19.324 1.00 16.80 C ATOM 603 O ILE A 81 28.527 -12.209 20.283 1.00 20.59 O ATOM 604 CB ILE A 81 29.670 -11.913 17.581 1.00 19.02 C ATOM 605 CG1 ILE A 81 29.719 -11.472 16.113 1.00 18.86 C ATOM 606 CG2 ILE A 81 30.567 -13.130 17.787 1.00 18.02 C ATOM 607 CD1 ILE A 81 31.114 -11.020 15.717 1.00 26.14 C ATOM 0 H ILE A 81 27.776 -10.393 18.008 1.00 17.16 H new ATOM 0 HA ILE A 81 27.880 -12.969 17.328 1.00 15.15 H new ATOM 0 HB ILE A 81 29.976 -11.187 18.147 1.00 19.02 H new ATOM 0 HG12 ILE A 81 29.441 -12.206 15.543 1.00 18.86 H new ATOM 0 HG13 ILE A 81 29.090 -10.748 15.970 1.00 18.86 H new ATOM 0 HG21 ILE A 81 31.483 -12.898 17.566 1.00 18.02 H new ATOM 0 HG22 ILE A 81 30.520 -13.414 18.713 1.00 18.02 H new ATOM 0 HG23 ILE A 81 30.269 -13.853 17.212 1.00 18.02 H new ATOM 0 HD11 ILE A 81 31.114 -10.748 14.786 1.00 26.14 H new ATOM 0 HD12 ILE A 81 31.382 -10.271 16.272 1.00 26.14 H new ATOM 0 HD13 ILE A 81 31.738 -11.752 15.839 1.00 26.14 H new ATOM 608 N PRO A 82 27.861 -14.173 19.426 1.00 14.61 N ATOM 609 CA PRO A 82 27.828 -14.809 20.731 1.00 15.78 C ATOM 610 C PRO A 82 29.177 -14.685 21.444 1.00 24.88 C ATOM 611 O PRO A 82 30.230 -14.768 20.827 1.00 18.24 O ATOM 612 CB PRO A 82 27.468 -16.280 20.469 1.00 13.66 C ATOM 613 CG PRO A 82 26.664 -16.226 19.164 1.00 18.45 C ATOM 614 CD PRO A 82 27.188 -15.019 18.397 1.00 13.71 C ATOM 0 HA PRO A 82 27.180 -14.385 21.315 1.00 15.78 H new ATOM 0 HB2 PRO A 82 28.261 -16.831 20.377 1.00 13.66 H new ATOM 0 HB3 PRO A 82 26.945 -16.654 21.195 1.00 13.66 H new ATOM 0 HG2 PRO A 82 26.780 -17.041 18.651 1.00 18.45 H new ATOM 0 HG3 PRO A 82 25.715 -16.137 19.344 1.00 18.45 H new ATOM 0 HD2 PRO A 82 27.809 -15.287 17.701 1.00 13.71 H new ATOM 0 HD3 PRO A 82 26.466 -14.538 17.963 1.00 13.71 H new ATOM 615 N ASP A 83 29.161 -14.523 22.757 1.00 17.60 N ATOM 616 CA ASP A 83 30.409 -14.372 23.484 1.00 20.09 C ATOM 617 C ASP A 83 30.206 -14.839 24.911 1.00 21.07 C ATOM 618 O ASP A 83 29.160 -14.572 25.495 1.00 20.86 O ATOM 619 CB ASP A 83 30.774 -12.870 23.422 1.00 24.91 C ATOM 620 CG ASP A 83 31.935 -12.413 24.283 1.00 39.62 C ATOM 621 OD1 ASP A 83 32.452 -13.096 25.151 1.00 37.21 O ATOM 622 OD2 ASP A 83 32.314 -11.189 23.999 1.00 59.30 O ATOM 0 H ASP A 83 28.450 -14.498 23.240 1.00 17.60 H new ATOM 0 HA ASP A 83 31.127 -14.902 23.104 1.00 20.09 H new ATOM 0 HB2 ASP A 83 30.975 -12.645 22.500 1.00 24.91 H new ATOM 0 HB3 ASP A 83 29.990 -12.358 23.675 1.00 24.91 H new ATOM 623 N ASP A 84 31.199 -15.550 25.448 1.00 21.40 N ATOM 624 CA ASP A 84 31.155 -16.126 26.803 1.00 26.54 C ATOM 625 C ASP A 84 31.087 -15.075 27.907 1.00 28.12 C ATOM 626 O ASP A 84 30.690 -15.352 29.020 1.00 33.05 O ATOM 627 CB ASP A 84 32.375 -17.049 27.049 1.00 25.14 C ATOM 628 CG ASP A 84 32.241 -18.354 26.321 1.00 49.83 C ATOM 629 OD1 ASP A 84 31.161 -18.851 26.121 1.00 47.81 O ATOM 630 OD2 ASP A 84 33.378 -18.886 25.920 1.00 65.50 O ATOM 0 H ASP A 84 31.932 -15.716 25.030 1.00 21.40 H new ATOM 0 HA ASP A 84 30.334 -16.641 26.843 1.00 26.54 H new ATOM 0 HB2 ASP A 84 33.185 -16.599 26.760 1.00 25.14 H new ATOM 0 HB3 ASP A 84 32.467 -17.217 28.000 1.00 25.14 H new ATOM 631 N ALA A 85 31.479 -13.873 27.561 1.00 26.87 N ATOM 632 CA ALA A 85 31.530 -12.754 28.466 1.00 32.02 C ATOM 633 C ALA A 85 30.265 -11.914 28.492 1.00 37.43 C ATOM 634 O ALA A 85 30.095 -11.100 29.401 1.00 35.05 O ATOM 635 CB ALA A 85 32.709 -11.874 28.055 1.00 32.47 C ATOM 0 H ALA A 85 31.733 -13.678 26.763 1.00 26.87 H new ATOM 0 HA ALA A 85 31.628 -13.112 29.362 1.00 32.02 H new ATOM 0 HB1 ALA A 85 32.766 -11.110 28.650 1.00 32.47 H new ATOM 0 HB2 ALA A 85 33.530 -12.387 28.108 1.00 32.47 H new ATOM 0 HB3 ALA A 85 32.580 -11.565 27.145 1.00 32.47 H new ATOM 636 N LYS A 86 29.392 -12.068 27.489 1.00 26.59 N ATOM 637 CA LYS A 86 28.169 -11.275 27.443 1.00 26.77 C ATOM 638 C LYS A 86 27.009 -11.975 28.191 1.00 21.94 C ATOM 639 O LYS A 86 26.453 -12.941 27.694 1.00 20.09 O ATOM 640 CB LYS A 86 27.806 -10.889 26.006 1.00 28.71 C ATOM 641 CG LYS A 86 26.803 -9.740 25.920 1.00 45.72 C ATOM 642 CD LYS A 86 26.558 -9.005 27.234 1.00 71.66 C ATOM 0 H LYS A 86 29.491 -12.619 26.837 1.00 26.59 H new ATOM 0 HA LYS A 86 28.334 -10.444 27.916 1.00 26.77 H new ATOM 0 HB2 LYS A 86 28.614 -10.640 25.531 1.00 28.71 H new ATOM 0 HB3 LYS A 86 27.439 -11.664 25.553 1.00 28.71 H new ATOM 0 HG2 LYS A 86 27.117 -9.102 25.261 1.00 45.72 H new ATOM 0 HG3 LYS A 86 25.958 -10.089 25.597 1.00 45.72 H new ATOM 643 N LEU A 87 26.672 -11.520 29.402 1.00 15.93 N ATOM 644 CA LEU A 87 25.618 -12.179 30.145 1.00 16.14 C ATOM 645 C LEU A 87 24.324 -11.405 30.049 1.00 15.05 C ATOM 646 O LEU A 87 24.290 -10.170 30.029 1.00 18.75 O ATOM 647 CB LEU A 87 25.885 -12.374 31.663 1.00 19.43 C ATOM 648 CG LEU A 87 27.245 -12.925 32.065 1.00 29.15 C ATOM 649 CD1 LEU A 87 27.355 -12.893 33.591 1.00 34.01 C ATOM 650 CD2 LEU A 87 27.380 -14.372 31.615 1.00 26.93 C ATOM 0 H LEU A 87 27.036 -10.848 29.796 1.00 15.93 H new ATOM 0 HA LEU A 87 25.573 -13.054 29.729 1.00 16.14 H new ATOM 0 HB2 LEU A 87 25.766 -11.517 32.102 1.00 19.43 H new ATOM 0 HB3 LEU A 87 25.204 -12.969 32.014 1.00 19.43 H new ATOM 0 HG LEU A 87 27.939 -12.388 31.651 1.00 29.15 H new ATOM 0 HD11 LEU A 87 28.219 -13.242 33.861 1.00 34.01 H new ATOM 0 HD12 LEU A 87 27.264 -11.979 33.903 1.00 34.01 H new ATOM 0 HD13 LEU A 87 26.652 -13.437 33.978 1.00 34.01 H new ATOM 0 HD21 LEU A 87 28.250 -14.713 31.876 1.00 26.93 H new ATOM 0 HD22 LEU A 87 26.686 -14.907 32.031 1.00 26.93 H new ATOM 0 HD23 LEU A 87 27.291 -14.421 30.650 1.00 26.93 H new ATOM 651 N LEU A 88 23.254 -12.180 30.026 1.00 18.23 N ATOM 652 CA LEU A 88 21.915 -11.619 29.976 1.00 17.23 C ATOM 653 C LEU A 88 21.492 -11.170 31.382 1.00 20.47 C ATOM 654 O LEU A 88 21.871 -11.811 32.363 1.00 18.44 O ATOM 655 CB LEU A 88 20.946 -12.691 29.440 1.00 17.51 C ATOM 656 CG LEU A 88 21.349 -13.269 28.068 1.00 16.78 C ATOM 657 CD1 LEU A 88 20.251 -14.214 27.596 1.00 17.56 C ATOM 658 CD2 LEU A 88 21.510 -12.134 27.071 1.00 22.74 C ATOM 0 H LEU A 88 23.281 -13.039 30.039 1.00 18.23 H new ATOM 0 HA LEU A 88 21.898 -10.848 29.388 1.00 17.23 H new ATOM 0 HB2 LEU A 88 20.892 -13.415 30.083 1.00 17.51 H new ATOM 0 HB3 LEU A 88 20.058 -12.306 29.371 1.00 17.51 H new ATOM 0 HG LEU A 88 22.188 -13.750 28.141 1.00 16.78 H new ATOM 0 HD11 LEU A 88 20.492 -14.585 26.733 1.00 17.56 H new ATOM 0 HD12 LEU A 88 20.144 -14.933 28.238 1.00 17.56 H new ATOM 0 HD13 LEU A 88 19.416 -13.726 27.516 1.00 17.56 H new ATOM 0 HD21 LEU A 88 21.764 -12.495 26.207 1.00 22.74 H new ATOM 0 HD22 LEU A 88 20.671 -11.655 26.987 1.00 22.74 H new ATOM 0 HD23 LEU A 88 22.199 -11.526 27.381 1.00 22.74 H new ATOM 659 N LYS A 89 20.702 -10.082 31.430 1.00 18.32 N ATOM 660 CA LYS A 89 20.178 -9.435 32.639 1.00 17.20 C ATOM 661 C LYS A 89 18.658 -9.292 32.523 1.00 26.39 C ATOM 662 O LYS A 89 18.051 -9.323 31.436 1.00 18.64 O ATOM 663 CB LYS A 89 20.663 -7.982 32.721 1.00 22.37 C ATOM 664 CG LYS A 89 22.120 -7.772 33.063 1.00 35.48 C ATOM 0 H LYS A 89 20.446 -9.682 30.713 1.00 18.32 H new ATOM 0 HA LYS A 89 20.464 -9.971 33.395 1.00 17.20 H new ATOM 0 HB2 LYS A 89 20.488 -7.555 31.868 1.00 22.37 H new ATOM 0 HB3 LYS A 89 20.127 -7.521 33.384 1.00 22.37 H new ATOM 665 N ASP A 90 18.014 -9.088 33.671 1.00 17.10 N ATOM 666 CA ASP A 90 16.584 -8.921 33.674 1.00 17.85 C ATOM 667 C ASP A 90 16.217 -7.773 32.768 1.00 18.99 C ATOM 668 O ASP A 90 16.885 -6.744 32.786 1.00 20.38 O ATOM 669 CB ASP A 90 16.140 -8.530 35.097 1.00 22.82 C ATOM 670 CG ASP A 90 14.918 -9.258 35.545 1.00 44.98 C ATOM 671 OD1 ASP A 90 14.931 -10.446 35.805 1.00 44.33 O ATOM 672 OD2 ASP A 90 13.856 -8.481 35.599 1.00 70.36 O ATOM 0 H ASP A 90 18.389 -9.045 34.444 1.00 17.10 H new ATOM 0 HA ASP A 90 16.162 -9.744 33.381 1.00 17.85 H new ATOM 0 HB2 ASP A 90 16.864 -8.710 35.717 1.00 22.82 H new ATOM 0 HB3 ASP A 90 15.971 -7.575 35.127 1.00 22.82 H new ATOM 673 N GLY A 91 15.156 -7.944 31.980 1.00 17.13 N ATOM 674 CA GLY A 91 14.739 -6.850 31.127 1.00 18.42 C ATOM 675 C GLY A 91 15.356 -6.818 29.744 1.00 24.94 C ATOM 676 O GLY A 91 14.880 -6.076 28.872 1.00 22.93 O ATOM 0 H GLY A 91 14.683 -8.660 31.928 1.00 17.13 H new ATOM 0 HA2 GLY A 91 13.774 -6.887 31.031 1.00 18.42 H new ATOM 0 HA3 GLY A 91 14.948 -6.015 31.575 1.00 18.42 H new ATOM 677 N ASP A 92 16.412 -7.598 29.517 1.00 15.36 N ATOM 678 CA ASP A 92 16.996 -7.574 28.180 1.00 12.09 C ATOM 679 C ASP A 92 16.004 -8.159 27.151 1.00 11.96 C ATOM 680 O ASP A 92 15.210 -9.032 27.484 1.00 13.68 O ATOM 681 CB ASP A 92 18.225 -8.490 28.218 1.00 10.90 C ATOM 682 CG ASP A 92 19.438 -7.788 28.785 1.00 15.84 C ATOM 683 OD1 ASP A 92 19.481 -6.579 29.037 1.00 15.36 O ATOM 684 OD2 ASP A 92 20.452 -8.608 28.950 1.00 15.81 O ATOM 0 H ASP A 92 16.787 -8.120 30.088 1.00 15.36 H new ATOM 0 HA ASP A 92 17.217 -6.664 27.928 1.00 12.09 H new ATOM 0 HB2 ASP A 92 18.026 -9.274 28.754 1.00 10.90 H new ATOM 0 HB3 ASP A 92 18.423 -8.802 27.321 1.00 10.90 H new ATOM 685 N ILE A 93 16.054 -7.689 25.912 1.00 12.54 N ATOM 686 CA ILE A 93 15.270 -8.284 24.831 1.00 14.44 C ATOM 687 C ILE A 93 16.341 -8.888 23.914 1.00 14.70 C ATOM 688 O ILE A 93 17.385 -8.270 23.667 1.00 17.61 O ATOM 689 CB ILE A 93 14.287 -7.388 24.096 1.00 14.47 C ATOM 690 CG1 ILE A 93 15.040 -6.296 23.343 1.00 16.71 C ATOM 691 CG2 ILE A 93 13.313 -6.801 25.110 1.00 14.97 C ATOM 692 CD1 ILE A 93 14.175 -5.510 22.329 1.00 15.46 C ATOM 0 H ILE A 93 16.539 -7.021 25.672 1.00 12.54 H new ATOM 0 HA ILE A 93 14.643 -8.927 25.196 1.00 14.44 H new ATOM 0 HB ILE A 93 13.786 -7.899 23.441 1.00 14.47 H new ATOM 0 HG12 ILE A 93 15.413 -5.673 23.986 1.00 16.71 H new ATOM 0 HG13 ILE A 93 15.787 -6.698 22.872 1.00 16.71 H new ATOM 0 HG21 ILE A 93 12.679 -6.226 24.654 1.00 14.97 H new ATOM 0 HG22 ILE A 93 12.836 -7.519 25.554 1.00 14.97 H new ATOM 0 HG23 ILE A 93 13.803 -6.283 25.768 1.00 14.97 H new ATOM 0 HD11 ILE A 93 14.720 -4.837 21.892 1.00 15.46 H new ATOM 0 HD12 ILE A 93 13.821 -6.121 21.664 1.00 15.46 H new ATOM 0 HD13 ILE A 93 13.441 -5.079 22.795 1.00 15.46 H new ATOM 693 N VAL A 94 16.171 -10.118 23.464 1.00 12.91 N ATOM 694 CA VAL A 94 17.228 -10.685 22.664 1.00 12.33 C ATOM 695 C VAL A 94 16.663 -11.447 21.485 1.00 10.58 C ATOM 696 O VAL A 94 15.699 -12.196 21.624 1.00 12.82 O ATOM 697 CB VAL A 94 18.106 -11.574 23.571 1.00 24.30 C ATOM 698 CG1 VAL A 94 17.236 -12.648 24.139 1.00 26.91 C ATOM 699 CG2 VAL A 94 19.252 -12.274 22.837 1.00 22.78 C ATOM 0 H VAL A 94 15.485 -10.618 23.603 1.00 12.91 H new ATOM 0 HA VAL A 94 17.780 -9.980 22.291 1.00 12.33 H new ATOM 0 HB VAL A 94 18.497 -10.990 24.239 1.00 24.30 H new ATOM 0 HG11 VAL A 94 17.765 -13.222 24.715 1.00 26.91 H new ATOM 0 HG12 VAL A 94 16.520 -12.246 24.655 1.00 26.91 H new ATOM 0 HG13 VAL A 94 16.858 -13.174 23.417 1.00 26.91 H new ATOM 0 HG21 VAL A 94 19.758 -12.812 23.466 1.00 22.78 H new ATOM 0 HG22 VAL A 94 18.890 -12.845 22.141 1.00 22.78 H new ATOM 0 HG23 VAL A 94 19.835 -11.609 22.438 1.00 22.78 H new ATOM 700 N ASN A 95 17.303 -11.214 20.333 1.00 11.46 N ATOM 701 CA ASN A 95 16.919 -11.922 19.125 1.00 14.30 C ATOM 702 C ASN A 95 17.901 -13.087 18.928 1.00 14.97 C ATOM 703 O ASN A 95 19.128 -12.925 19.058 1.00 13.02 O ATOM 704 CB ASN A 95 17.006 -10.997 17.871 1.00 7.90 C ATOM 705 CG ASN A 95 16.694 -11.760 16.597 1.00 12.58 C ATOM 706 OD1 ASN A 95 17.519 -12.520 16.067 1.00 10.19 O ATOM 707 ND2 ASN A 95 15.437 -11.652 16.177 1.00 12.33 N ATOM 0 H ASN A 95 17.951 -10.657 20.238 1.00 11.46 H new ATOM 0 HA ASN A 95 16.004 -12.229 19.220 1.00 14.30 H new ATOM 0 HB2 ASN A 95 16.385 -10.259 17.968 1.00 7.90 H new ATOM 0 HB3 ASN A 95 17.895 -10.614 17.811 1.00 7.90 H new ATOM 0 HD21 ASN A 95 15.165 -12.121 15.510 1.00 12.33 H new ATOM 0 HD22 ASN A 95 14.896 -11.113 16.573 1.00 12.33 H new ATOM 708 N ILE A 96 17.383 -14.264 18.621 1.00 11.80 N ATOM 709 CA ILE A 96 18.226 -15.402 18.280 1.00 6.05 C ATOM 710 C ILE A 96 17.830 -15.741 16.830 1.00 14.24 C ATOM 711 O ILE A 96 16.650 -16.037 16.594 1.00 10.18 O ATOM 712 CB ILE A 96 18.045 -16.595 19.171 1.00 9.75 C ATOM 713 CG1 ILE A 96 18.564 -16.190 20.576 1.00 14.49 C ATOM 714 CG2 ILE A 96 18.900 -17.715 18.566 1.00 10.31 C ATOM 715 CD1 ILE A 96 18.564 -17.300 21.654 1.00 17.17 C ATOM 0 H ILE A 96 16.539 -14.428 18.604 1.00 11.80 H new ATOM 0 HA ILE A 96 19.162 -15.173 18.391 1.00 6.05 H new ATOM 0 HB ILE A 96 17.124 -16.891 19.246 1.00 9.75 H new ATOM 0 HG12 ILE A 96 19.470 -15.858 20.481 1.00 14.49 H new ATOM 0 HG13 ILE A 96 18.024 -15.452 20.899 1.00 14.49 H new ATOM 0 HG21 ILE A 96 18.817 -18.515 19.109 1.00 10.31 H new ATOM 0 HG22 ILE A 96 18.596 -17.904 17.665 1.00 10.31 H new ATOM 0 HG23 ILE A 96 19.829 -17.436 18.541 1.00 10.31 H new ATOM 0 HD11 ILE A 96 18.905 -16.941 22.488 1.00 17.17 H new ATOM 0 HD12 ILE A 96 17.659 -17.622 21.787 1.00 17.17 H new ATOM 0 HD13 ILE A 96 19.128 -18.034 21.363 1.00 17.17 H new ATOM 716 N ASP A 97 18.770 -15.608 15.892 1.00 9.68 N ATOM 717 CA ASP A 97 18.529 -15.866 14.462 1.00 7.62 C ATOM 718 C ASP A 97 19.266 -17.108 14.090 1.00 11.00 C ATOM 719 O ASP A 97 20.481 -17.223 14.270 1.00 12.71 O ATOM 720 CB ASP A 97 18.916 -14.645 13.604 1.00 7.13 C ATOM 721 CG ASP A 97 18.461 -14.833 12.148 1.00 6.43 C ATOM 722 OD1 ASP A 97 18.009 -15.896 11.722 1.00 11.77 O ATOM 723 OD2 ASP A 97 18.612 -13.753 11.455 1.00 12.47 O ATOM 0 H ASP A 97 19.576 -15.363 16.067 1.00 9.68 H new ATOM 0 HA ASP A 97 17.585 -16.006 14.291 1.00 7.62 H new ATOM 0 HB2 ASP A 97 18.511 -13.844 13.973 1.00 7.13 H new ATOM 0 HB3 ASP A 97 19.877 -14.516 13.633 1.00 7.13 H new ATOM 724 N VAL A 98 18.515 -18.076 13.619 1.00 8.36 N ATOM 725 CA VAL A 98 19.074 -19.380 13.255 1.00 10.20 C ATOM 726 C VAL A 98 18.877 -19.715 11.757 1.00 16.97 C ATOM 727 O VAL A 98 17.814 -19.479 11.177 1.00 14.14 O ATOM 728 CB VAL A 98 18.295 -20.448 14.042 1.00 18.68 C ATOM 729 CG1 VAL A 98 18.746 -21.856 13.651 1.00 23.13 C ATOM 730 CG2 VAL A 98 18.483 -20.264 15.557 1.00 20.17 C ATOM 0 H VAL A 98 17.666 -18.008 13.497 1.00 8.36 H new ATOM 0 HA VAL A 98 20.024 -19.361 13.450 1.00 10.20 H new ATOM 0 HB VAL A 98 17.357 -20.339 13.821 1.00 18.68 H new ATOM 0 HG11 VAL A 98 18.242 -22.510 14.159 1.00 23.13 H new ATOM 0 HG12 VAL A 98 18.591 -21.994 12.703 1.00 23.13 H new ATOM 0 HG13 VAL A 98 19.692 -21.958 13.842 1.00 23.13 H new ATOM 0 HG21 VAL A 98 17.983 -20.947 16.031 1.00 20.17 H new ATOM 0 HG22 VAL A 98 19.424 -20.340 15.778 1.00 20.17 H new ATOM 0 HG23 VAL A 98 18.160 -19.388 15.819 1.00 20.17 H new ATOM 731 N THR A 99 19.888 -20.299 11.140 1.00 9.93 N ATOM 732 CA THR A 99 19.755 -20.729 9.730 1.00 8.93 C ATOM 733 C THR A 99 20.381 -22.110 9.663 1.00 11.57 C ATOM 734 O THR A 99 21.579 -22.281 9.946 1.00 15.42 O ATOM 735 CB THR A 99 20.408 -19.749 8.737 1.00 9.42 C ATOM 736 OG1 THR A 99 19.912 -18.423 8.932 1.00 14.15 O ATOM 737 CG2 THR A 99 20.103 -20.260 7.330 1.00 13.16 C ATOM 0 H THR A 99 20.653 -20.460 11.499 1.00 9.93 H new ATOM 0 HA THR A 99 18.822 -20.746 9.464 1.00 8.93 H new ATOM 0 HB THR A 99 21.367 -19.707 8.875 1.00 9.42 H new ATOM 0 HG1 THR A 99 20.268 -17.906 8.374 1.00 14.15 H new ATOM 0 HG21 THR A 99 20.501 -19.664 6.676 1.00 13.16 H new ATOM 0 HG22 THR A 99 20.472 -21.151 7.222 1.00 13.16 H new ATOM 0 HG23 THR A 99 19.143 -20.290 7.197 1.00 13.16 H new ATOM 738 N VAL A 100 19.590 -23.115 9.360 1.00 8.76 N ATOM 739 CA VAL A 100 20.124 -24.473 9.332 1.00 12.14 C ATOM 740 C VAL A 100 20.130 -25.002 7.892 1.00 20.08 C ATOM 741 O VAL A 100 19.275 -24.622 7.082 1.00 18.20 O ATOM 742 CB VAL A 100 19.130 -25.338 10.119 1.00 16.70 C ATOM 743 CG1 VAL A 100 19.290 -26.824 9.867 1.00 21.84 C ATOM 744 CG2 VAL A 100 19.203 -25.013 11.608 1.00 16.78 C ATOM 0 H VAL A 100 18.754 -23.044 9.169 1.00 8.76 H new ATOM 0 HA VAL A 100 21.024 -24.493 9.694 1.00 12.14 H new ATOM 0 HB VAL A 100 18.245 -25.113 9.791 1.00 16.70 H new ATOM 0 HG11 VAL A 100 18.636 -27.313 10.391 1.00 21.84 H new ATOM 0 HG12 VAL A 100 19.153 -27.009 8.925 1.00 21.84 H new ATOM 0 HG13 VAL A 100 20.183 -27.102 10.124 1.00 21.84 H new ATOM 0 HG21 VAL A 100 18.570 -25.567 12.092 1.00 16.78 H new ATOM 0 HG22 VAL A 100 20.100 -25.188 11.934 1.00 16.78 H new ATOM 0 HG23 VAL A 100 18.986 -24.078 11.746 1.00 16.78 H new ATOM 745 N ILE A 101 21.062 -25.884 7.586 1.00 12.14 N ATOM 746 CA ILE A 101 21.092 -26.515 6.276 1.00 12.96 C ATOM 747 C ILE A 101 20.846 -28.012 6.461 1.00 18.35 C ATOM 748 O ILE A 101 21.494 -28.672 7.282 1.00 17.59 O ATOM 749 CB ILE A 101 22.401 -26.325 5.538 1.00 13.85 C ATOM 750 CG1 ILE A 101 22.787 -24.858 5.434 1.00 17.10 C ATOM 751 CG2 ILE A 101 22.296 -26.924 4.151 1.00 19.88 C ATOM 752 CD1 ILE A 101 24.169 -24.660 4.800 1.00 20.64 C ATOM 0 H ILE A 101 21.688 -26.133 8.120 1.00 12.14 H new ATOM 0 HA ILE A 101 20.405 -26.092 5.738 1.00 12.96 H new ATOM 0 HB ILE A 101 23.094 -26.777 6.044 1.00 13.85 H new ATOM 0 HG12 ILE A 101 22.122 -24.388 4.907 1.00 17.10 H new ATOM 0 HG13 ILE A 101 22.780 -24.461 6.319 1.00 17.10 H new ATOM 0 HG21 ILE A 101 23.135 -26.801 3.681 1.00 19.88 H new ATOM 0 HG22 ILE A 101 22.101 -27.872 4.221 1.00 19.88 H new ATOM 0 HG23 ILE A 101 21.584 -26.484 3.661 1.00 19.88 H new ATOM 0 HD11 ILE A 101 24.372 -23.712 4.755 1.00 20.64 H new ATOM 0 HD12 ILE A 101 24.840 -25.108 5.339 1.00 20.64 H new ATOM 0 HD13 ILE A 101 24.171 -25.034 3.905 1.00 20.64 H new ATOM 753 N LYS A 102 19.886 -28.564 5.697 1.00 15.09 N ATOM 754 CA LYS A 102 19.591 -29.970 5.739 1.00 13.68 C ATOM 755 C LYS A 102 19.361 -30.431 4.294 1.00 22.07 C ATOM 756 O LYS A 102 18.544 -29.851 3.568 1.00 16.52 O ATOM 757 CB LYS A 102 18.386 -30.277 6.626 1.00 19.32 C ATOM 758 CG LYS A 102 18.077 -31.773 6.713 1.00 15.52 C ATOM 759 CD LYS A 102 19.186 -32.537 7.408 1.00 18.68 C ATOM 760 CE LYS A 102 18.843 -33.984 7.689 1.00 33.89 C ATOM 761 NZ LYS A 102 19.969 -34.717 8.278 1.00 59.67 N ATOM 0 H LYS A 102 19.399 -28.118 5.147 1.00 15.09 H new ATOM 0 HA LYS A 102 20.334 -30.453 6.134 1.00 13.68 H new ATOM 0 HB2 LYS A 102 18.551 -29.933 7.518 1.00 19.32 H new ATOM 0 HB3 LYS A 102 17.609 -29.810 6.281 1.00 19.32 H new ATOM 0 HG2 LYS A 102 17.244 -31.904 7.193 1.00 15.52 H new ATOM 0 HG3 LYS A 102 17.949 -32.129 5.820 1.00 15.52 H new ATOM 0 HD2 LYS A 102 19.985 -32.503 6.859 1.00 18.68 H new ATOM 0 HD3 LYS A 102 19.398 -32.095 8.245 1.00 18.68 H new ATOM 0 HE2 LYS A 102 18.083 -34.023 8.291 1.00 33.89 H new ATOM 0 HE3 LYS A 102 18.574 -34.417 6.864 1.00 33.89 H new ATOM 0 HZ1 LYS A 102 19.664 -35.293 8.884 1.00 59.67 H new ATOM 0 HZ2 LYS A 102 20.402 -35.160 7.639 1.00 59.67 H new ATOM 0 HZ3 LYS A 102 20.525 -34.143 8.669 1.00 59.67 H new ATOM 762 N ASP A 103 20.098 -31.455 3.875 1.00 16.50 N ATOM 763 CA ASP A 103 19.970 -31.932 2.510 1.00 17.17 C ATOM 764 C ASP A 103 20.119 -30.825 1.517 1.00 15.42 C ATOM 765 O ASP A 103 19.430 -30.776 0.513 1.00 22.72 O ATOM 766 CB ASP A 103 18.689 -32.715 2.246 1.00 19.05 C ATOM 767 CG ASP A 103 18.771 -34.011 2.985 1.00 29.85 C ATOM 768 OD1 ASP A 103 19.797 -34.431 3.486 1.00 40.60 O ATOM 769 OD2 ASP A 103 17.626 -34.607 3.082 1.00 44.84 O ATOM 0 H ASP A 103 20.668 -31.879 4.359 1.00 16.50 H new ATOM 0 HA ASP A 103 20.703 -32.556 2.395 1.00 17.17 H new ATOM 0 HB2 ASP A 103 17.916 -32.207 2.539 1.00 19.05 H new ATOM 0 HB3 ASP A 103 18.580 -32.874 1.295 1.00 19.05 H new ATOM 770 N GLY A 104 21.008 -29.912 1.821 1.00 13.71 N ATOM 771 CA GLY A 104 21.304 -28.850 0.911 1.00 16.23 C ATOM 772 C GLY A 104 20.345 -27.679 0.865 1.00 25.43 C ATOM 773 O GLY A 104 20.610 -26.729 0.117 1.00 22.46 O ATOM 0 H GLY A 104 21.453 -29.892 2.557 1.00 13.71 H new ATOM 0 HA2 GLY A 104 22.185 -28.507 1.128 1.00 16.23 H new ATOM 0 HA3 GLY A 104 21.359 -29.227 0.019 1.00 16.23 H new ATOM 774 N PHE A 105 19.253 -27.740 1.651 1.00 17.59 N ATOM 775 CA PHE A 105 18.294 -26.632 1.660 1.00 17.62 C ATOM 776 C PHE A 105 18.374 -25.861 2.982 1.00 14.95 C ATOM 777 O PHE A 105 18.595 -26.455 4.050 1.00 13.57 O ATOM 778 CB PHE A 105 16.852 -27.117 1.385 1.00 15.82 C ATOM 779 CG PHE A 105 16.676 -27.505 -0.069 1.00 20.63 C ATOM 780 CD1 PHE A 105 16.136 -26.592 -0.981 1.00 25.35 C ATOM 781 CD2 PHE A 105 17.116 -28.752 -0.519 1.00 22.94 C ATOM 782 CE1 PHE A 105 15.992 -26.920 -2.332 1.00 22.42 C ATOM 783 CE2 PHE A 105 16.970 -29.110 -1.861 1.00 24.85 C ATOM 784 CZ PHE A 105 16.434 -28.177 -2.751 1.00 17.73 C ATOM 0 H PHE A 105 19.058 -28.397 2.170 1.00 17.59 H new ATOM 0 HA PHE A 105 18.534 -26.030 0.939 1.00 17.62 H new ATOM 0 HB2 PHE A 105 16.649 -27.877 1.953 1.00 15.82 H new ATOM 0 HB3 PHE A 105 16.222 -26.416 1.614 1.00 15.82 H new ATOM 0 HD1 PHE A 105 15.868 -25.753 -0.683 1.00 25.35 H new ATOM 0 HD2 PHE A 105 17.508 -29.347 0.078 1.00 22.94 H new ATOM 0 HE1 PHE A 105 15.614 -26.320 -2.933 1.00 22.42 H new ATOM 0 HE2 PHE A 105 17.225 -29.954 -2.156 1.00 24.85 H new ATOM 0 HZ PHE A 105 16.369 -28.400 -3.652 1.00 17.73 H new ATOM 785 N HIS A 106 18.169 -24.563 2.878 1.00 12.28 N ATOM 786 CA HIS A 106 18.211 -23.698 4.046 1.00 12.65 C ATOM 787 C HIS A 106 16.840 -23.391 4.690 1.00 20.09 C ATOM 788 O HIS A 106 15.796 -23.277 4.010 1.00 16.64 O ATOM 789 CB HIS A 106 18.822 -22.341 3.609 1.00 12.67 C ATOM 790 CG HIS A 106 20.248 -22.384 3.166 1.00 16.33 C ATOM 791 ND1 HIS A 106 20.630 -22.981 1.979 1.00 18.73 N ATOM 792 CD2 HIS A 106 21.362 -21.857 3.760 1.00 18.95 C ATOM 793 CE1 HIS A 106 21.945 -22.825 1.871 1.00 19.43 C ATOM 794 NE2 HIS A 106 22.412 -22.139 2.924 1.00 20.38 N ATOM 0 H HIS A 106 18.003 -24.158 2.138 1.00 12.28 H new ATOM 0 HA HIS A 106 18.731 -24.175 4.712 1.00 12.65 H new ATOM 0 HB2 HIS A 106 18.286 -21.983 2.884 1.00 12.67 H new ATOM 0 HB3 HIS A 106 18.749 -21.719 4.350 1.00 12.67 H new ATOM 0 HD1 HIS A 106 20.114 -23.378 1.417 1.00 18.73 H new ATOM 0 HD2 HIS A 106 21.400 -21.399 4.569 1.00 18.95 H new ATOM 0 HE1 HIS A 106 22.465 -23.144 1.169 1.00 19.43 H new ATOM 795 N GLY A 107 16.860 -23.197 6.022 1.00 12.51 N ATOM 796 CA GLY A 107 15.673 -22.805 6.836 1.00 11.82 C ATOM 797 C GLY A 107 16.163 -21.622 7.668 1.00 14.25 C ATOM 798 O GLY A 107 17.139 -21.779 8.373 1.00 16.45 O ATOM 0 H GLY A 107 17.575 -23.290 6.492 1.00 12.51 H new ATOM 0 HA2 GLY A 107 14.924 -22.556 6.273 1.00 11.82 H new ATOM 0 HA3 GLY A 107 15.373 -23.535 7.400 1.00 11.82 H new ATOM 799 N ASP A 108 15.554 -20.443 7.556 1.00 11.14 N ATOM 800 CA ASP A 108 16.033 -19.233 8.216 1.00 9.92 C ATOM 801 C ASP A 108 14.941 -18.600 9.085 1.00 14.98 C ATOM 802 O ASP A 108 13.878 -18.299 8.564 1.00 10.91 O ATOM 803 CB ASP A 108 16.468 -18.247 7.096 1.00 10.97 C ATOM 804 CG ASP A 108 17.148 -16.950 7.475 1.00 15.45 C ATOM 805 OD1 ASP A 108 17.439 -16.055 6.654 1.00 13.59 O ATOM 806 OD2 ASP A 108 17.410 -16.875 8.767 1.00 12.72 O ATOM 0 H ASP A 108 14.842 -20.323 7.088 1.00 11.14 H new ATOM 0 HA ASP A 108 16.773 -19.445 8.805 1.00 9.92 H new ATOM 0 HB2 ASP A 108 17.066 -18.727 6.501 1.00 10.97 H new ATOM 0 HB3 ASP A 108 15.677 -18.022 6.582 1.00 10.97 H new ATOM 807 N THR A 109 15.161 -18.421 10.386 1.00 7.39 N ATOM 808 CA THR A 109 14.089 -17.871 11.210 1.00 5.22 C ATOM 809 C THR A 109 14.647 -17.268 12.486 1.00 9.53 C ATOM 810 O THR A 109 15.734 -17.654 12.912 1.00 11.44 O ATOM 811 CB THR A 109 13.040 -18.992 11.545 1.00 8.41 C ATOM 812 OG1 THR A 109 11.946 -18.458 12.289 1.00 12.88 O ATOM 813 CG2 THR A 109 13.601 -20.203 12.303 1.00 9.51 C ATOM 0 H THR A 109 15.894 -18.603 10.798 1.00 7.39 H new ATOM 0 HA THR A 109 13.647 -17.166 10.712 1.00 5.22 H new ATOM 0 HB THR A 109 12.752 -19.315 10.677 1.00 8.41 H new ATOM 0 HG1 THR A 109 11.742 -17.702 11.984 1.00 12.88 H new ATOM 0 HG21 THR A 109 12.889 -20.841 12.467 1.00 9.51 H new ATOM 0 HG22 THR A 109 14.296 -20.624 11.772 1.00 9.51 H new ATOM 0 HG23 THR A 109 13.974 -19.911 13.150 1.00 9.51 H new ATOM 814 N SER A 110 13.911 -16.343 13.085 1.00 10.08 N ATOM 815 CA SER A 110 14.374 -15.723 14.340 1.00 9.68 C ATOM 816 C SER A 110 13.198 -15.271 15.174 1.00 15.40 C ATOM 817 O SER A 110 12.078 -15.106 14.682 1.00 10.95 O ATOM 818 CB SER A 110 15.280 -14.514 14.118 1.00 6.86 C ATOM 819 OG SER A 110 14.528 -13.355 13.763 1.00 9.69 O ATOM 0 H SER A 110 13.153 -16.058 12.796 1.00 10.08 H new ATOM 0 HA SER A 110 14.885 -16.410 14.796 1.00 9.68 H new ATOM 0 HB2 SER A 110 15.788 -14.337 14.925 1.00 6.86 H new ATOM 0 HB3 SER A 110 15.921 -14.713 13.417 1.00 6.86 H new ATOM 0 HG SER A 110 14.882 -12.984 13.097 1.00 9.69 H new ATOM 820 N LYS A 111 13.457 -15.059 16.465 1.00 9.68 N ATOM 821 CA LYS A 111 12.412 -14.531 17.342 1.00 10.45 C ATOM 822 C LYS A 111 13.089 -13.792 18.462 1.00 11.03 C ATOM 823 O LYS A 111 14.310 -13.976 18.690 1.00 11.62 O ATOM 824 CB LYS A 111 11.439 -15.572 17.905 1.00 13.28 C ATOM 825 CG LYS A 111 12.121 -16.540 18.881 1.00 14.45 C ATOM 826 CD LYS A 111 11.152 -17.514 19.563 1.00 15.41 C ATOM 827 CE LYS A 111 10.404 -16.884 20.730 1.00 22.47 C ATOM 828 NZ LYS A 111 9.590 -17.873 21.462 1.00 21.40 N ATOM 0 H LYS A 111 14.213 -15.210 16.846 1.00 9.68 H new ATOM 0 HA LYS A 111 11.853 -13.952 16.801 1.00 10.45 H new ATOM 0 HB2 LYS A 111 10.711 -15.119 18.358 1.00 13.28 H new ATOM 0 HB3 LYS A 111 11.049 -16.075 17.174 1.00 13.28 H new ATOM 0 HG2 LYS A 111 12.794 -17.048 18.402 1.00 14.45 H new ATOM 0 HG3 LYS A 111 12.584 -16.027 19.562 1.00 14.45 H new ATOM 0 HD2 LYS A 111 10.511 -17.836 18.910 1.00 15.41 H new ATOM 0 HD3 LYS A 111 11.646 -18.286 19.880 1.00 15.41 H new ATOM 0 HE2 LYS A 111 11.040 -16.476 21.338 1.00 22.47 H new ATOM 0 HE3 LYS A 111 9.831 -16.174 20.401 1.00 22.47 H new ATOM 0 HZ1 LYS A 111 9.467 -17.596 22.299 1.00 21.40 H new ATOM 0 HZ2 LYS A 111 8.801 -17.963 21.061 1.00 21.40 H new ATOM 0 HZ3 LYS A 111 10.010 -18.657 21.468 1.00 21.40 H new ATOM 829 N MET A 112 12.280 -12.974 19.122 1.00 9.84 N ATOM 830 CA MET A 112 12.769 -12.234 20.273 1.00 8.22 C ATOM 831 C MET A 112 12.401 -13.000 21.555 1.00 15.22 C ATOM 832 O MET A 112 11.324 -13.608 21.687 1.00 13.00 O ATOM 833 CB MET A 112 12.051 -10.892 20.401 1.00 11.11 C ATOM 834 CG MET A 112 12.230 -9.956 19.231 1.00 12.75 C ATOM 835 SD MET A 112 13.985 -9.621 18.904 1.00 12.72 S ATOM 836 CE MET A 112 14.424 -8.587 20.346 1.00 14.61 C ATOM 0 H MET A 112 11.455 -12.835 18.922 1.00 9.84 H new ATOM 0 HA MET A 112 13.725 -12.116 20.159 1.00 8.22 H new ATOM 0 HB2 MET A 112 11.103 -11.058 20.522 1.00 11.11 H new ATOM 0 HB3 MET A 112 12.366 -10.448 21.204 1.00 11.11 H new ATOM 0 HG2 MET A 112 11.821 -10.343 18.441 1.00 12.75 H new ATOM 0 HG3 MET A 112 11.769 -9.122 19.410 1.00 12.75 H new ATOM 0 HE1 MET A 112 14.819 -7.756 20.040 1.00 14.61 H new ATOM 0 HE2 MET A 112 13.625 -8.395 20.862 1.00 14.61 H new ATOM 0 HE3 MET A 112 15.061 -9.061 20.903 1.00 14.61 H new ATOM 837 N PHE A 113 13.284 -12.941 22.533 1.00 11.52 N ATOM 838 CA PHE A 113 12.995 -13.522 23.830 1.00 12.50 C ATOM 839 C PHE A 113 13.158 -12.400 24.841 1.00 16.94 C ATOM 840 O PHE A 113 14.033 -11.549 24.653 1.00 15.13 O ATOM 841 CB PHE A 113 14.015 -14.570 24.210 1.00 11.46 C ATOM 842 CG PHE A 113 13.969 -15.786 23.321 1.00 14.47 C ATOM 843 CD1 PHE A 113 14.687 -15.800 22.123 1.00 13.70 C ATOM 844 CD2 PHE A 113 13.240 -16.912 23.715 1.00 16.18 C ATOM 845 CE1 PHE A 113 14.660 -16.954 21.344 1.00 13.21 C ATOM 846 CE2 PHE A 113 13.193 -18.064 22.931 1.00 15.45 C ATOM 847 CZ PHE A 113 13.928 -18.072 21.750 1.00 12.00 C ATOM 0 H PHE A 113 14.057 -12.569 22.468 1.00 11.52 H new ATOM 0 HA PHE A 113 12.112 -13.923 23.810 1.00 12.50 H new ATOM 0 HB2 PHE A 113 14.902 -14.180 24.170 1.00 11.46 H new ATOM 0 HB3 PHE A 113 13.865 -14.842 25.129 1.00 11.46 H new ATOM 0 HD1 PHE A 113 15.173 -15.055 21.851 1.00 13.70 H new ATOM 0 HD2 PHE A 113 12.775 -16.892 24.520 1.00 16.18 H new ATOM 0 HE1 PHE A 113 15.135 -16.980 20.545 1.00 13.21 H new ATOM 0 HE2 PHE A 113 12.688 -18.801 23.189 1.00 15.45 H new ATOM 0 HZ PHE A 113 13.932 -18.837 21.221 1.00 12.00 H new ATOM 848 N ILE A 114 12.299 -12.367 25.871 1.00 13.37 N ATOM 849 CA ILE A 114 12.415 -11.329 26.905 1.00 15.31 C ATOM 850 C ILE A 114 13.013 -12.016 28.135 1.00 15.63 C ATOM 851 O ILE A 114 12.535 -13.049 28.549 1.00 15.42 O ATOM 852 CB ILE A 114 11.108 -10.593 27.192 1.00 24.17 C ATOM 853 CG1 ILE A 114 10.521 -10.125 25.855 1.00 26.90 C ATOM 854 CG2 ILE A 114 11.398 -9.366 28.050 1.00 26.81 C ATOM 855 CD1 ILE A 114 9.644 -8.889 25.966 1.00 27.29 C ATOM 0 H ILE A 114 11.655 -12.925 25.987 1.00 13.37 H new ATOM 0 HA ILE A 114 12.993 -10.613 26.599 1.00 15.31 H new ATOM 0 HB ILE A 114 10.489 -11.179 27.656 1.00 24.17 H new ATOM 0 HG12 ILE A 114 11.248 -9.941 25.240 1.00 26.90 H new ATOM 0 HG13 ILE A 114 10.000 -10.847 25.470 1.00 26.90 H new ATOM 0 HG21 ILE A 114 10.569 -8.896 28.234 1.00 26.81 H new ATOM 0 HG22 ILE A 114 11.804 -9.644 28.886 1.00 26.81 H new ATOM 0 HG23 ILE A 114 12.005 -8.776 27.577 1.00 26.81 H new ATOM 0 HD11 ILE A 114 9.308 -8.650 25.088 1.00 27.29 H new ATOM 0 HD12 ILE A 114 8.898 -9.073 26.558 1.00 27.29 H new ATOM 0 HD13 ILE A 114 10.165 -8.153 26.323 1.00 27.29 H new ATOM 856 N VAL A 115 14.098 -11.486 28.656 1.00 15.29 N ATOM 857 CA VAL A 115 14.778 -12.105 29.778 1.00 17.35 C ATOM 858 C VAL A 115 14.245 -11.613 31.114 1.00 15.34 C ATOM 859 O VAL A 115 14.193 -10.409 31.381 1.00 16.76 O ATOM 860 CB VAL A 115 16.292 -11.841 29.722 1.00 20.78 C ATOM 861 CG1 VAL A 115 17.012 -12.580 30.843 1.00 22.46 C ATOM 862 CG2 VAL A 115 16.894 -12.215 28.358 1.00 17.64 C ATOM 0 H VAL A 115 14.463 -10.760 28.374 1.00 15.29 H new ATOM 0 HA VAL A 115 14.607 -13.057 29.707 1.00 17.35 H new ATOM 0 HB VAL A 115 16.419 -10.887 29.844 1.00 20.78 H new ATOM 0 HG11 VAL A 115 17.964 -12.401 30.790 1.00 22.46 H new ATOM 0 HG12 VAL A 115 16.674 -12.277 31.700 1.00 22.46 H new ATOM 0 HG13 VAL A 115 16.858 -13.533 30.754 1.00 22.46 H new ATOM 0 HG21 VAL A 115 17.847 -12.034 28.364 1.00 17.64 H new ATOM 0 HG22 VAL A 115 16.745 -13.158 28.186 1.00 17.64 H new ATOM 0 HG23 VAL A 115 16.470 -11.689 27.662 1.00 17.64 H new ATOM 863 N GLY A 116 13.874 -12.571 31.943 1.00 16.90 N ATOM 864 CA GLY A 116 13.375 -12.198 33.244 1.00 23.91 C ATOM 865 C GLY A 116 12.181 -11.248 33.197 1.00 28.93 C ATOM 866 O GLY A 116 11.261 -11.413 32.422 1.00 26.00 O ATOM 0 H GLY A 116 13.902 -13.415 31.778 1.00 16.90 H new ATOM 0 HA2 GLY A 116 13.120 -13.001 33.726 1.00 23.91 H new ATOM 0 HA3 GLY A 116 14.091 -11.780 33.748 1.00 23.91 H new ATOM 867 N LYS A 117 12.178 -10.234 34.048 1.00 26.86 N ATOM 868 CA LYS A 117 11.054 -9.321 34.056 1.00 25.06 C ATOM 869 C LYS A 117 11.153 -8.289 32.937 1.00 22.14 C ATOM 870 O LYS A 117 12.131 -7.537 32.813 1.00 25.33 O ATOM 871 CB LYS A 117 10.855 -8.706 35.427 1.00 33.49 C ATOM 0 H LYS A 117 12.801 -10.061 34.615 1.00 26.86 H new ATOM 0 HA LYS A 117 10.251 -9.832 33.869 1.00 25.06 H new ATOM 872 N PRO A 118 10.127 -8.265 32.095 1.00 24.25 N ATOM 873 CA PRO A 118 10.130 -7.352 30.960 1.00 23.46 C ATOM 874 C PRO A 118 9.965 -5.917 31.338 1.00 32.02 C ATOM 875 O PRO A 118 9.452 -5.608 32.409 1.00 35.99 O ATOM 876 CB PRO A 118 8.929 -7.698 30.079 1.00 21.70 C ATOM 877 CG PRO A 118 8.085 -8.655 30.897 1.00 29.75 C ATOM 878 CD PRO A 118 8.923 -9.127 32.086 1.00 24.06 C ATOM 0 HA PRO A 118 10.990 -7.455 30.523 1.00 23.46 H new ATOM 0 HB2 PRO A 118 8.427 -6.902 29.846 1.00 21.70 H new ATOM 0 HB3 PRO A 118 9.213 -8.108 29.247 1.00 21.70 H new ATOM 0 HG2 PRO A 118 7.277 -8.216 31.205 1.00 29.75 H new ATOM 0 HG3 PRO A 118 7.809 -9.411 30.356 1.00 29.75 H new ATOM 0 HD2 PRO A 118 8.428 -9.043 32.916 1.00 24.06 H new ATOM 0 HD3 PRO A 118 9.164 -10.062 31.993 1.00 24.06 H new ATOM 879 N THR A 119 10.417 -5.050 30.425 1.00 19.76 N ATOM 880 CA THR A 119 10.238 -3.617 30.565 1.00 17.03 C ATOM 881 C THR A 119 9.022 -3.308 29.691 1.00 22.54 C ATOM 882 O THR A 119 8.649 -4.120 28.820 1.00 20.06 O ATOM 883 CB THR A 119 11.435 -2.755 30.137 1.00 21.43 C ATOM 884 OG1 THR A 119 11.579 -2.779 28.745 1.00 22.55 O ATOM 885 CG2 THR A 119 12.727 -3.288 30.746 1.00 32.39 C ATOM 0 H THR A 119 10.835 -5.284 29.711 1.00 19.76 H new ATOM 0 HA THR A 119 10.132 -3.395 31.503 1.00 17.03 H new ATOM 0 HB THR A 119 11.268 -1.851 30.445 1.00 21.43 H new ATOM 0 HG1 THR A 119 11.710 -3.569 28.490 1.00 22.55 H new ATOM 0 HG21 THR A 119 13.471 -2.732 30.465 1.00 32.39 H new ATOM 0 HG22 THR A 119 12.659 -3.272 31.714 1.00 32.39 H new ATOM 0 HG23 THR A 119 12.874 -4.199 30.447 1.00 32.39 H new ATOM 886 N ILE A 120 8.395 -2.168 29.912 1.00 21.30 N ATOM 887 CA ILE A 120 7.219 -1.831 29.117 1.00 20.36 C ATOM 888 C ILE A 120 7.582 -1.645 27.634 1.00 18.08 C ATOM 889 O ILE A 120 6.926 -2.203 26.733 1.00 15.01 O ATOM 890 CB ILE A 120 6.414 -0.697 29.762 1.00 23.33 C ATOM 891 CG1 ILE A 120 5.731 -1.211 31.064 1.00 21.19 C ATOM 892 CG2 ILE A 120 5.381 -0.088 28.799 1.00 15.77 C ATOM 0 H ILE A 120 8.623 -1.585 30.501 1.00 21.30 H new ATOM 0 HA ILE A 120 6.604 -2.581 29.115 1.00 20.36 H new ATOM 0 HB ILE A 120 7.033 0.016 29.985 1.00 23.33 H new ATOM 0 HG21 ILE A 120 4.898 0.622 29.249 1.00 15.77 H new ATOM 0 HG22 ILE A 120 5.836 0.273 28.022 1.00 15.77 H new ATOM 0 HG23 ILE A 120 4.757 -0.775 28.517 1.00 15.77 H new ATOM 893 N MET A 121 8.637 -0.872 27.401 1.00 16.86 N ATOM 894 CA MET A 121 9.134 -0.604 26.040 1.00 23.76 C ATOM 895 C MET A 121 9.522 -1.899 25.326 1.00 22.32 C ATOM 896 O MET A 121 9.239 -2.144 24.158 1.00 19.40 O ATOM 897 CB MET A 121 10.427 0.257 26.084 1.00 30.68 C ATOM 898 CG MET A 121 10.431 1.509 25.217 1.00 46.51 C ATOM 899 SD MET A 121 9.349 1.424 23.762 1.00 60.66 S ATOM 900 CE MET A 121 8.031 2.613 24.150 1.00 53.11 C ATOM 0 H MET A 121 9.089 -0.485 28.022 1.00 16.86 H new ATOM 0 HA MET A 121 8.415 -0.148 25.574 1.00 23.76 H new ATOM 0 HB2 MET A 121 10.585 0.522 27.003 1.00 30.68 H new ATOM 0 HB3 MET A 121 11.174 -0.301 25.817 1.00 30.68 H new ATOM 0 HG2 MET A 121 10.163 2.266 25.761 1.00 46.51 H new ATOM 0 HG3 MET A 121 11.339 1.680 24.921 1.00 46.51 H new ATOM 0 HE1 MET A 121 7.393 2.639 23.420 1.00 53.11 H new ATOM 0 HE2 MET A 121 7.579 2.341 24.964 1.00 53.11 H new ATOM 0 HE3 MET A 121 8.416 3.495 24.274 1.00 53.11 H new ATOM 901 N GLY A 122 10.239 -2.744 26.032 1.00 17.07 N ATOM 902 CA GLY A 122 10.678 -3.980 25.430 1.00 14.46 C ATOM 903 C GLY A 122 9.523 -4.865 24.968 1.00 20.00 C ATOM 904 O GLY A 122 9.523 -5.419 23.872 1.00 21.48 O ATOM 0 H GLY A 122 10.480 -2.625 26.849 1.00 17.07 H new ATOM 0 HA2 GLY A 122 11.248 -3.779 24.671 1.00 14.46 H new ATOM 0 HA3 GLY A 122 11.219 -4.470 26.069 1.00 14.46 H new ATOM 905 N GLU A 123 8.544 -5.038 25.833 1.00 14.91 N ATOM 906 CA GLU A 123 7.423 -5.863 25.510 1.00 15.74 C ATOM 907 C GLU A 123 6.667 -5.281 24.324 1.00 18.82 C ATOM 908 O GLU A 123 6.298 -5.979 23.366 1.00 19.37 O ATOM 909 CB GLU A 123 6.534 -5.948 26.746 1.00 20.32 C ATOM 910 CG GLU A 123 5.412 -6.982 26.625 1.00 35.13 C ATOM 911 CD GLU A 123 4.534 -7.021 27.859 1.00 96.41 C ATOM 912 OE1 GLU A 123 3.328 -6.838 27.824 1.00100.00 O ATOM 913 OE2 GLU A 123 5.207 -7.196 28.976 1.00 59.91 O ATOM 0 H GLU A 123 8.517 -4.681 26.615 1.00 14.91 H new ATOM 0 HA GLU A 123 7.714 -6.753 25.257 1.00 15.74 H new ATOM 0 HB2 GLU A 123 7.083 -6.166 27.515 1.00 20.32 H new ATOM 0 HB3 GLU A 123 6.143 -5.076 26.914 1.00 20.32 H new ATOM 0 HG2 GLU A 123 4.867 -6.777 25.849 1.00 35.13 H new ATOM 0 HG3 GLU A 123 5.798 -7.860 26.477 1.00 35.13 H new ATOM 914 N ARG A 124 6.454 -3.981 24.392 1.00 12.03 N ATOM 915 CA ARG A 124 5.735 -3.312 23.355 1.00 11.65 C ATOM 916 C ARG A 124 6.431 -3.436 22.013 1.00 19.38 C ATOM 917 O ARG A 124 5.811 -3.752 20.987 1.00 16.80 O ATOM 918 CB ARG A 124 5.539 -1.868 23.709 1.00 13.34 C ATOM 919 CG ARG A 124 4.797 -1.181 22.598 1.00 17.23 C ATOM 920 CD ARG A 124 4.144 0.119 22.997 1.00 26.22 C ATOM 921 NE ARG A 124 3.126 0.366 22.007 1.00 37.83 N ATOM 922 CZ ARG A 124 3.382 1.294 21.160 1.00 29.86 C ATOM 923 NH1 ARG A 124 4.522 1.953 21.306 1.00 38.28 N ATOM 924 NH2 ARG A 124 2.517 1.566 20.189 1.00 28.77 N ATOM 0 H ARG A 124 6.721 -3.475 25.034 1.00 12.03 H new ATOM 0 HA ARG A 124 4.869 -3.742 23.274 1.00 11.65 H new ATOM 0 HB2 ARG A 124 5.043 -1.792 24.539 1.00 13.34 H new ATOM 0 HB3 ARG A 124 6.398 -1.440 23.852 1.00 13.34 H new ATOM 0 HG2 ARG A 124 5.414 -1.010 21.869 1.00 17.23 H new ATOM 0 HG3 ARG A 124 4.116 -1.782 22.259 1.00 17.23 H new ATOM 0 HD2 ARG A 124 3.758 0.057 23.885 1.00 26.22 H new ATOM 0 HD3 ARG A 124 4.791 0.841 23.019 1.00 26.22 H new ATOM 0 HE ARG A 124 2.392 -0.082 21.986 1.00 37.83 H new ATOM 0 HH11 ARG A 124 5.056 1.752 21.950 1.00 38.28 H new ATOM 0 HH12 ARG A 124 4.728 2.582 20.757 1.00 38.28 H new ATOM 0 HH21 ARG A 124 1.785 1.119 20.128 1.00 28.77 H new ATOM 0 HH22 ARG A 124 2.690 2.189 19.621 1.00 28.77 H new ATOM 925 N LEU A 125 7.735 -3.182 22.022 1.00 14.48 N ATOM 926 CA LEU A 125 8.498 -3.251 20.779 1.00 15.96 C ATOM 927 C LEU A 125 8.466 -4.638 20.137 1.00 16.26 C ATOM 928 O LEU A 125 8.322 -4.789 18.909 1.00 16.08 O ATOM 929 CB LEU A 125 9.936 -2.755 20.994 1.00 13.69 C ATOM 930 CG LEU A 125 10.833 -2.820 19.758 1.00 14.38 C ATOM 931 CD1 LEU A 125 10.350 -1.806 18.718 1.00 16.32 C ATOM 932 CD2 LEU A 125 12.258 -2.464 20.203 1.00 15.24 C ATOM 0 H LEU A 125 8.190 -2.972 22.721 1.00 14.48 H new ATOM 0 HA LEU A 125 8.064 -2.657 20.147 1.00 15.96 H new ATOM 0 HB2 LEU A 125 9.904 -1.837 21.306 1.00 13.69 H new ATOM 0 HB3 LEU A 125 10.343 -3.281 21.700 1.00 13.69 H new ATOM 0 HG LEU A 125 10.808 -3.705 19.362 1.00 14.38 H new ATOM 0 HD11 LEU A 125 10.920 -1.849 17.935 1.00 16.32 H new ATOM 0 HD12 LEU A 125 9.437 -2.013 18.464 1.00 16.32 H new ATOM 0 HD13 LEU A 125 10.386 -0.913 19.095 1.00 16.32 H new ATOM 0 HD21 LEU A 125 12.854 -2.497 19.438 1.00 15.24 H new ATOM 0 HD22 LEU A 125 12.266 -1.571 20.580 1.00 15.24 H new ATOM 0 HD23 LEU A 125 12.557 -3.100 20.872 1.00 15.24 H new ATOM 933 N CYS A 126 8.602 -5.668 20.974 1.00 12.66 N ATOM 934 CA CYS A 126 8.597 -7.003 20.458 1.00 11.84 C ATOM 935 C CYS A 126 7.237 -7.314 19.852 1.00 18.91 C ATOM 936 O CYS A 126 7.093 -7.926 18.783 1.00 14.31 O ATOM 937 CB CYS A 126 8.924 -8.018 21.553 1.00 14.03 C ATOM 938 SG CYS A 126 10.678 -7.930 22.029 1.00 17.76 S ATOM 0 H CYS A 126 8.696 -5.602 21.826 1.00 12.66 H new ATOM 0 HA CYS A 126 9.280 -7.068 19.773 1.00 11.84 H new ATOM 0 HB2 CYS A 126 8.367 -7.851 22.329 1.00 14.03 H new ATOM 0 HB3 CYS A 126 8.715 -8.913 21.241 1.00 14.03 H new ATOM 0 HG CYS A 126 10.836 -7.036 22.813 1.00 17.76 H new ATOM 939 N ARG A 127 6.205 -6.921 20.572 1.00 13.09 N ATOM 940 CA ARG A 127 4.862 -7.194 20.081 1.00 16.31 C ATOM 941 C ARG A 127 4.564 -6.589 18.707 1.00 15.06 C ATOM 942 O ARG A 127 3.994 -7.240 17.817 1.00 14.58 O ATOM 943 CB ARG A 127 3.838 -6.628 21.055 1.00 18.26 C ATOM 944 CG ARG A 127 2.412 -7.065 20.730 1.00 17.28 C ATOM 945 CD ARG A 127 1.423 -6.556 21.778 1.00 24.62 C ATOM 946 NE ARG A 127 1.147 -5.156 21.529 1.00 42.67 N ATOM 947 CZ ARG A 127 1.453 -4.181 22.357 1.00 49.39 C ATOM 948 NH1 ARG A 127 2.040 -4.422 23.541 1.00 37.35 N ATOM 949 NH2 ARG A 127 1.137 -2.937 21.979 1.00 30.07 N ATOM 0 H ARG A 127 6.251 -6.507 21.325 1.00 13.09 H new ATOM 0 HA ARG A 127 4.806 -8.159 20.001 1.00 16.31 H new ATOM 0 HB2 ARG A 127 4.062 -6.912 21.955 1.00 18.26 H new ATOM 0 HB3 ARG A 127 3.886 -5.659 21.043 1.00 18.26 H new ATOM 0 HG2 ARG A 127 2.160 -6.730 19.855 1.00 17.28 H new ATOM 0 HG3 ARG A 127 2.370 -8.033 20.686 1.00 17.28 H new ATOM 0 HD2 ARG A 127 0.602 -7.071 21.741 1.00 24.62 H new ATOM 0 HD3 ARG A 127 1.790 -6.671 22.668 1.00 24.62 H new ATOM 0 HE ARG A 127 0.757 -4.949 20.791 1.00 42.67 H new ATOM 0 HH11 ARG A 127 2.225 -5.229 23.773 1.00 37.35 H new ATOM 0 HH12 ARG A 127 2.231 -3.769 24.067 1.00 37.35 H new ATOM 0 HH21 ARG A 127 0.750 -2.803 21.223 1.00 30.07 H new ATOM 0 HH22 ARG A 127 1.320 -2.272 22.492 1.00 30.07 H new ATOM 950 N ILE A 128 4.901 -5.323 18.590 1.00 11.00 N ATOM 951 CA ILE A 128 4.645 -4.572 17.387 1.00 13.73 C ATOM 952 C ILE A 128 5.411 -5.134 16.214 1.00 15.71 C ATOM 953 O ILE A 128 4.909 -5.220 15.081 1.00 14.68 O ATOM 954 CB ILE A 128 4.973 -3.109 17.564 1.00 19.66 C ATOM 955 CG1 ILE A 128 4.040 -2.444 18.582 1.00 25.66 C ATOM 956 CG2 ILE A 128 4.925 -2.384 16.231 1.00 15.59 C ATOM 957 CD1 ILE A 128 2.574 -2.780 18.399 1.00 25.19 C ATOM 0 H ILE A 128 5.288 -4.872 19.212 1.00 11.00 H new ATOM 0 HA ILE A 128 3.696 -4.652 17.203 1.00 13.73 H new ATOM 0 HB ILE A 128 5.876 -3.048 17.913 1.00 19.66 H new ATOM 0 HG12 ILE A 128 4.312 -2.708 19.475 1.00 25.66 H new ATOM 0 HG13 ILE A 128 4.150 -1.482 18.525 1.00 25.66 H new ATOM 0 HG21 ILE A 128 5.138 -1.447 16.364 1.00 15.59 H new ATOM 0 HG22 ILE A 128 5.571 -2.779 15.624 1.00 15.59 H new ATOM 0 HG23 ILE A 128 4.036 -2.462 15.852 1.00 15.59 H new ATOM 0 HD11 ILE A 128 2.050 -2.324 19.077 1.00 25.19 H new ATOM 0 HD12 ILE A 128 2.283 -2.493 17.519 1.00 25.19 H new ATOM 0 HD13 ILE A 128 2.448 -3.738 18.484 1.00 25.19 H new ATOM 958 N THR A 129 6.648 -5.512 16.495 1.00 10.92 N ATOM 959 CA THR A 129 7.469 -6.088 15.459 1.00 8.12 C ATOM 960 C THR A 129 6.882 -7.416 14.953 1.00 13.30 C ATOM 961 O THR A 129 6.855 -7.695 13.748 1.00 12.65 O ATOM 962 CB THR A 129 8.901 -6.305 15.964 1.00 12.45 C ATOM 963 OG1 THR A 129 9.393 -5.066 16.400 1.00 15.66 O ATOM 964 CG2 THR A 129 9.814 -6.815 14.840 1.00 16.41 C ATOM 0 H THR A 129 7.022 -5.444 17.267 1.00 10.92 H new ATOM 0 HA THR A 129 7.487 -5.463 14.717 1.00 8.12 H new ATOM 0 HB THR A 129 8.890 -6.963 16.677 1.00 12.45 H new ATOM 0 HG1 THR A 129 9.115 -4.912 17.178 1.00 15.66 H new ATOM 0 HG21 THR A 129 10.711 -6.944 15.185 1.00 16.41 H new ATOM 0 HG22 THR A 129 9.473 -7.659 14.504 1.00 16.41 H new ATOM 0 HG23 THR A 129 9.835 -6.165 14.120 1.00 16.41 H new ATOM 965 N GLN A 130 6.447 -8.290 15.871 1.00 11.70 N ATOM 966 CA GLN A 130 5.903 -9.551 15.428 1.00 11.54 C ATOM 967 C GLN A 130 4.620 -9.296 14.628 1.00 15.29 C ATOM 968 O GLN A 130 4.347 -9.902 13.597 1.00 13.39 O ATOM 969 CB GLN A 130 5.586 -10.453 16.605 1.00 11.51 C ATOM 970 CG GLN A 130 5.100 -11.825 16.124 1.00 13.75 C ATOM 971 CD GLN A 130 4.855 -12.756 17.297 1.00 20.13 C ATOM 972 OE1 GLN A 130 4.211 -12.352 18.265 1.00 23.32 O ATOM 973 NE2 GLN A 130 5.345 -13.990 17.231 1.00 16.30 N ATOM 0 H GLN A 130 6.462 -8.168 16.722 1.00 11.70 H new ATOM 0 HA GLN A 130 6.565 -9.992 14.872 1.00 11.54 H new ATOM 0 HB2 GLN A 130 6.376 -10.560 17.157 1.00 11.51 H new ATOM 0 HB3 GLN A 130 4.906 -10.041 17.160 1.00 11.51 H new ATOM 0 HG2 GLN A 130 4.282 -11.721 15.613 1.00 13.75 H new ATOM 0 HG3 GLN A 130 5.759 -12.215 15.529 1.00 13.75 H new ATOM 0 HE21 GLN A 130 5.791 -14.239 16.539 1.00 16.30 H new ATOM 0 HE22 GLN A 130 5.216 -14.539 17.880 1.00 16.30 H new ATOM 974 N GLU A 131 3.813 -8.371 15.115 1.00 14.22 N ATOM 975 CA GLU A 131 2.581 -8.034 14.418 1.00 11.14 C ATOM 976 C GLU A 131 2.884 -7.509 13.032 1.00 14.37 C ATOM 977 O GLU A 131 2.111 -7.747 12.116 1.00 13.75 O ATOM 978 CB GLU A 131 1.788 -6.943 15.176 1.00 13.13 C ATOM 979 CG GLU A 131 1.170 -7.478 16.492 1.00 21.28 C ATOM 980 CD GLU A 131 0.325 -6.469 17.254 1.00 56.25 C ATOM 981 OE1 GLU A 131 -0.039 -5.386 16.806 1.00 42.78 O ATOM 982 OE2 GLU A 131 0.006 -6.890 18.453 1.00 59.05 O ATOM 0 H GLU A 131 3.955 -7.929 15.839 1.00 14.22 H new ATOM 0 HA GLU A 131 2.052 -8.846 14.366 1.00 11.14 H new ATOM 0 HB2 GLU A 131 2.376 -6.198 15.376 1.00 13.13 H new ATOM 0 HB3 GLU A 131 1.082 -6.602 14.604 1.00 13.13 H new ATOM 0 HG2 GLU A 131 0.621 -8.251 16.286 1.00 21.28 H new ATOM 0 HG3 GLU A 131 1.886 -7.784 17.070 1.00 21.28 H new ATOM 983 N SER A 132 3.951 -6.732 12.883 1.00 10.65 N ATOM 984 CA SER A 132 4.276 -6.210 11.541 1.00 11.20 C ATOM 985 C SER A 132 4.627 -7.377 10.614 1.00 15.41 C ATOM 986 O SER A 132 4.352 -7.374 9.416 1.00 16.22 O ATOM 987 CB SER A 132 5.357 -5.146 11.580 1.00 13.05 C ATOM 988 OG SER A 132 6.634 -5.746 11.694 1.00 14.87 O ATOM 0 H SER A 132 4.487 -6.497 13.514 1.00 10.65 H new ATOM 0 HA SER A 132 3.494 -5.761 11.184 1.00 11.20 H new ATOM 0 HB2 SER A 132 5.317 -4.606 10.775 1.00 13.05 H new ATOM 0 HB3 SER A 132 5.205 -4.549 12.330 1.00 13.05 H new ATOM 0 HG SER A 132 6.618 -6.327 12.301 1.00 14.87 H new ATOM 989 N LEU A 133 5.215 -8.419 11.177 1.00 11.28 N ATOM 990 CA LEU A 133 5.550 -9.571 10.360 1.00 10.15 C ATOM 991 C LEU A 133 4.286 -10.317 9.960 1.00 17.18 C ATOM 992 O LEU A 133 4.077 -10.758 8.814 1.00 14.42 O ATOM 993 CB LEU A 133 6.564 -10.504 11.076 1.00 9.54 C ATOM 994 CG LEU A 133 6.788 -11.900 10.451 1.00 13.76 C ATOM 995 CD1 LEU A 133 7.460 -11.847 9.063 1.00 14.17 C ATOM 996 CD2 LEU A 133 7.616 -12.738 11.412 1.00 16.39 C ATOM 0 H LEU A 133 5.424 -8.480 12.009 1.00 11.28 H new ATOM 0 HA LEU A 133 5.984 -9.255 9.552 1.00 10.15 H new ATOM 0 HB2 LEU A 133 7.420 -10.049 11.113 1.00 9.54 H new ATOM 0 HB3 LEU A 133 6.268 -10.627 11.991 1.00 9.54 H new ATOM 0 HG LEU A 133 5.917 -12.303 10.308 1.00 13.76 H new ATOM 0 HD11 LEU A 133 7.574 -12.749 8.724 1.00 14.17 H new ATOM 0 HD12 LEU A 133 6.902 -11.340 8.452 1.00 14.17 H new ATOM 0 HD13 LEU A 133 8.327 -11.419 9.139 1.00 14.17 H new ATOM 0 HD21 LEU A 133 7.763 -13.617 11.030 1.00 16.39 H new ATOM 0 HD22 LEU A 133 8.470 -12.305 11.565 1.00 16.39 H new ATOM 0 HD23 LEU A 133 7.143 -12.827 12.254 1.00 16.39 H new ATOM 997 N TYR A 134 3.422 -10.484 10.925 1.00 11.13 N ATOM 998 CA TYR A 134 2.194 -11.203 10.631 1.00 11.68 C ATOM 999 C TYR A 134 1.355 -10.470 9.567 1.00 12.51 C ATOM 1000 O TYR A 134 0.761 -11.081 8.691 1.00 15.94 O ATOM 1001 CB TYR A 134 1.389 -11.362 11.925 1.00 10.99 C ATOM 1002 CG TYR A 134 1.891 -12.464 12.803 1.00 11.14 C ATOM 1003 CD1 TYR A 134 2.997 -13.252 12.481 1.00 12.69 C ATOM 1004 CD2 TYR A 134 1.198 -12.758 13.979 1.00 18.65 C ATOM 1005 CE1 TYR A 134 3.396 -14.303 13.320 1.00 12.27 C ATOM 1006 CE2 TYR A 134 1.580 -13.796 14.835 1.00 16.82 C ATOM 1007 CZ TYR A 134 2.690 -14.568 14.498 1.00 18.21 C ATOM 1008 OH TYR A 134 3.036 -15.593 15.328 1.00 16.71 O ATOM 0 H TYR A 134 3.512 -10.204 11.733 1.00 11.13 H new ATOM 0 HA TYR A 134 2.420 -12.075 10.273 1.00 11.68 H new ATOM 0 HB2 TYR A 134 1.414 -10.527 12.418 1.00 10.99 H new ATOM 0 HB3 TYR A 134 0.460 -11.532 11.702 1.00 10.99 H new ATOM 0 HD1 TYR A 134 3.474 -13.078 11.702 1.00 12.69 H new ATOM 0 HD2 TYR A 134 0.455 -12.245 14.201 1.00 18.65 H new ATOM 0 HE1 TYR A 134 4.132 -14.825 13.092 1.00 12.27 H new ATOM 0 HE2 TYR A 134 1.102 -13.968 15.614 1.00 16.82 H new ATOM 0 HH TYR A 134 3.701 -15.997 15.012 1.00 16.71 H new ATOM 1009 N LEU A 135 1.274 -9.155 9.660 1.00 10.34 N ATOM 1010 CA LEU A 135 0.496 -8.358 8.698 1.00 12.76 C ATOM 1011 C LEU A 135 0.973 -8.669 7.276 1.00 11.28 C ATOM 1012 O LEU A 135 0.176 -8.918 6.348 1.00 13.60 O ATOM 1013 CB LEU A 135 0.734 -6.880 9.095 1.00 18.02 C ATOM 1014 CG LEU A 135 0.253 -5.742 8.210 1.00 34.68 C ATOM 1015 CD1 LEU A 135 0.631 -4.470 8.961 1.00 41.94 C ATOM 1016 CD2 LEU A 135 0.997 -5.705 6.881 1.00 41.26 C ATOM 0 H LEU A 135 1.661 -8.693 10.273 1.00 10.34 H new ATOM 0 HA LEU A 135 -0.453 -8.558 8.716 1.00 12.76 H new ATOM 0 HB2 LEU A 135 0.329 -6.752 9.967 1.00 18.02 H new ATOM 0 HB3 LEU A 135 1.691 -6.767 9.207 1.00 18.02 H new ATOM 0 HG LEU A 135 -0.695 -5.841 8.028 1.00 34.68 H new ATOM 0 HD11 LEU A 135 0.351 -3.696 8.448 1.00 41.94 H new ATOM 0 HD12 LEU A 135 0.191 -4.461 9.825 1.00 41.94 H new ATOM 0 HD13 LEU A 135 1.592 -4.442 9.088 1.00 41.94 H new ATOM 0 HD21 LEU A 135 0.665 -4.969 6.344 1.00 41.26 H new ATOM 0 HD22 LEU A 135 1.945 -5.583 7.044 1.00 41.26 H new ATOM 0 HD23 LEU A 135 0.855 -6.539 6.407 1.00 41.26 H new ATOM 1017 N ALA A 136 2.303 -8.657 7.130 1.00 10.59 N ATOM 1018 CA ALA A 136 2.944 -8.959 5.860 1.00 11.73 C ATOM 1019 C ALA A 136 2.608 -10.350 5.376 1.00 20.31 C ATOM 1020 O ALA A 136 2.338 -10.573 4.184 1.00 14.10 O ATOM 1021 CB ALA A 136 4.451 -8.844 5.993 1.00 12.85 C ATOM 0 H ALA A 136 2.851 -8.473 7.767 1.00 10.59 H new ATOM 0 HA ALA A 136 2.611 -8.316 5.214 1.00 11.73 H new ATOM 0 HB1 ALA A 136 4.868 -9.047 5.141 1.00 12.85 H new ATOM 0 HB2 ALA A 136 4.685 -7.941 6.259 1.00 12.85 H new ATOM 0 HB3 ALA A 136 4.766 -9.470 6.664 1.00 12.85 H new ATOM 1022 N LEU A 137 2.639 -11.324 6.297 1.00 13.88 N ATOM 1023 CA LEU A 137 2.332 -12.680 5.884 1.00 14.00 C ATOM 1024 C LEU A 137 0.943 -12.833 5.314 1.00 15.87 C ATOM 1025 O LEU A 137 0.724 -13.608 4.376 1.00 14.14 O ATOM 1026 CB LEU A 137 2.519 -13.664 7.042 1.00 12.02 C ATOM 1027 CG LEU A 137 3.974 -13.688 7.480 1.00 15.61 C ATOM 1028 CD1 LEU A 137 4.110 -14.470 8.794 1.00 14.97 C ATOM 1029 CD2 LEU A 137 4.781 -14.408 6.418 1.00 19.34 C ATOM 0 H LEU A 137 2.828 -11.219 7.129 1.00 13.88 H new ATOM 0 HA LEU A 137 2.960 -12.884 5.174 1.00 14.00 H new ATOM 0 HB2 LEU A 137 1.954 -13.408 7.788 1.00 12.02 H new ATOM 0 HB3 LEU A 137 2.242 -14.552 6.768 1.00 12.02 H new ATOM 0 HG LEU A 137 4.290 -12.779 7.605 1.00 15.61 H new ATOM 0 HD11 LEU A 137 5.040 -14.482 9.069 1.00 14.97 H new ATOM 0 HD12 LEU A 137 3.576 -14.043 9.482 1.00 14.97 H new ATOM 0 HD13 LEU A 137 3.800 -15.380 8.663 1.00 14.97 H new ATOM 0 HD21 LEU A 137 5.714 -14.433 6.682 1.00 19.34 H new ATOM 0 HD22 LEU A 137 4.450 -15.314 6.318 1.00 19.34 H new ATOM 0 HD23 LEU A 137 4.696 -13.939 5.573 1.00 19.34 H new ATOM 1030 N ARG A 138 0.018 -12.092 5.911 1.00 16.18 N ATOM 1031 CA ARG A 138 -1.380 -12.174 5.479 1.00 15.40 C ATOM 1032 C ARG A 138 -1.589 -11.619 4.101 1.00 20.92 C ATOM 1033 O ARG A 138 -2.639 -11.847 3.496 1.00 23.37 O ATOM 1034 CB ARG A 138 -2.291 -11.402 6.417 1.00 14.42 C ATOM 1035 CG ARG A 138 -2.455 -12.183 7.699 1.00 19.70 C ATOM 1036 CD ARG A 138 -3.589 -11.688 8.581 1.00 27.25 C ATOM 1037 NE ARG A 138 -3.559 -10.264 8.893 1.00 26.35 N ATOM 1038 CZ ARG A 138 -3.004 -9.807 10.019 1.00 63.38 C ATOM 1039 NH1 ARG A 138 -2.429 -10.631 10.900 1.00 26.10 N ATOM 1040 NH2 ARG A 138 -3.014 -8.501 10.275 1.00 38.35 N ATOM 0 H ARG A 138 0.170 -11.544 6.556 1.00 16.18 H new ATOM 0 HA ARG A 138 -1.597 -13.119 5.485 1.00 15.40 H new ATOM 0 HB2 ARG A 138 -1.916 -10.527 6.604 1.00 14.42 H new ATOM 0 HB3 ARG A 138 -3.155 -11.257 6.001 1.00 14.42 H new ATOM 0 HG2 ARG A 138 -2.610 -13.116 7.482 1.00 19.70 H new ATOM 0 HG3 ARG A 138 -1.626 -12.142 8.200 1.00 19.70 H new ATOM 0 HD2 ARG A 138 -4.431 -11.891 8.144 1.00 27.25 H new ATOM 0 HD3 ARG A 138 -3.574 -12.187 9.413 1.00 27.25 H new ATOM 0 HE ARG A 138 -3.907 -9.705 8.339 1.00 26.35 H new ATOM 0 HH11 ARG A 138 -2.410 -11.477 10.748 1.00 26.10 H new ATOM 0 HH12 ARG A 138 -2.078 -10.315 11.619 1.00 26.10 H new ATOM 0 HH21 ARG A 138 -3.376 -7.956 9.717 1.00 38.35 H new ATOM 0 HH22 ARG A 138 -2.658 -8.202 10.998 1.00 38.35 H new ATOM 1041 N MET A 139 -0.634 -10.843 3.618 1.00 13.36 N ATOM 1042 CA MET A 139 -0.805 -10.247 2.310 1.00 12.77 C ATOM 1043 C MET A 139 -0.223 -11.070 1.170 1.00 23.62 C ATOM 1044 O MET A 139 -0.541 -10.831 -0.002 1.00 20.90 O ATOM 1045 CB MET A 139 -0.089 -8.909 2.263 1.00 16.08 C ATOM 1046 CG MET A 139 -0.767 -7.847 3.079 1.00 21.40 C ATOM 1047 SD MET A 139 0.344 -6.422 3.087 1.00 26.43 S ATOM 1048 CE MET A 139 0.058 -5.739 1.417 1.00 26.09 C ATOM 0 H MET A 139 0.102 -10.653 4.020 1.00 13.36 H new ATOM 0 HA MET A 139 -1.765 -10.177 2.188 1.00 12.77 H new ATOM 0 HB2 MET A 139 0.820 -9.024 2.583 1.00 16.08 H new ATOM 0 HB3 MET A 139 -0.030 -8.612 1.341 1.00 16.08 H new ATOM 0 HG2 MET A 139 -1.627 -7.613 2.696 1.00 21.40 H new ATOM 0 HG3 MET A 139 -0.935 -8.159 3.982 1.00 21.40 H new ATOM 0 HE1 MET A 139 0.414 -4.838 1.370 1.00 26.09 H new ATOM 0 HE2 MET A 139 0.502 -6.296 0.759 1.00 26.09 H new ATOM 0 HE3 MET A 139 -0.894 -5.720 1.234 1.00 26.09 H new ATOM 1049 N VAL A 140 0.680 -11.984 1.508 1.00 12.64 N ATOM 1050 CA VAL A 140 1.350 -12.776 0.507 1.00 13.01 C ATOM 1051 C VAL A 140 0.439 -13.656 -0.355 1.00 16.16 C ATOM 1052 O VAL A 140 -0.260 -14.534 0.155 1.00 15.79 O ATOM 1053 CB VAL A 140 2.538 -13.574 1.080 1.00 14.51 C ATOM 1054 CG1 VAL A 140 3.122 -14.472 -0.013 1.00 14.73 C ATOM 1055 CG2 VAL A 140 3.641 -12.651 1.614 1.00 12.30 C ATOM 0 H VAL A 140 0.915 -12.156 2.317 1.00 12.64 H new ATOM 0 HA VAL A 140 1.703 -12.114 -0.108 1.00 13.01 H new ATOM 0 HB VAL A 140 2.207 -14.108 1.819 1.00 14.51 H new ATOM 0 HG11 VAL A 140 3.870 -14.975 0.346 1.00 14.73 H new ATOM 0 HG12 VAL A 140 2.440 -15.087 -0.326 1.00 14.73 H new ATOM 0 HG13 VAL A 140 3.427 -13.924 -0.753 1.00 14.73 H new ATOM 0 HG21 VAL A 140 4.369 -13.187 1.965 1.00 12.30 H new ATOM 0 HG22 VAL A 140 3.970 -12.090 0.894 1.00 12.30 H new ATOM 0 HG23 VAL A 140 3.281 -12.092 2.320 1.00 12.30 H new ATOM 1056 N LYS A 141 0.479 -13.454 -1.684 1.00 14.69 N ATOM 1057 CA LYS A 141 -0.287 -14.287 -2.610 1.00 13.59 C ATOM 1058 C LYS A 141 0.175 -14.003 -4.041 1.00 14.98 C ATOM 1059 O LYS A 141 0.780 -12.974 -4.339 1.00 12.22 O ATOM 1060 CB LYS A 141 -1.774 -14.093 -2.514 1.00 19.34 C ATOM 1061 CG LYS A 141 -2.167 -12.731 -3.039 1.00 17.91 C ATOM 1062 CD LYS A 141 -3.667 -12.536 -2.930 1.00 30.49 C ATOM 1063 CE LYS A 141 -4.077 -11.073 -2.827 1.00 53.39 C ATOM 1064 NZ LYS A 141 -5.339 -10.863 -2.095 1.00100.00 N ATOM 0 H LYS A 141 0.945 -12.838 -2.062 1.00 14.69 H new ATOM 0 HA LYS A 141 -0.116 -15.209 -2.362 1.00 13.59 H new ATOM 0 HB2 LYS A 141 -2.229 -14.784 -3.020 1.00 19.34 H new ATOM 0 HB3 LYS A 141 -2.058 -14.184 -1.591 1.00 19.34 H new ATOM 0 HG2 LYS A 141 -1.708 -12.039 -2.537 1.00 17.91 H new ATOM 0 HG3 LYS A 141 -1.890 -12.642 -3.964 1.00 17.91 H new ATOM 0 HD2 LYS A 141 -4.096 -12.932 -3.705 1.00 30.49 H new ATOM 0 HD3 LYS A 141 -3.993 -13.013 -2.151 1.00 30.49 H new ATOM 0 HE2 LYS A 141 -3.370 -10.577 -2.386 1.00 53.39 H new ATOM 0 HE3 LYS A 141 -4.165 -10.706 -3.721 1.00 53.39 H new ATOM 0 HZ1 LYS A 141 -5.526 -9.993 -2.068 1.00100.00 H new ATOM 0 HZ2 LYS A 141 -5.998 -11.295 -2.509 1.00100.00 H new ATOM 0 HZ3 LYS A 141 -5.257 -11.174 -1.265 1.00100.00 H new ATOM 1065 N PRO A 142 -0.114 -14.929 -4.931 1.00 16.19 N ATOM 1066 CA PRO A 142 0.337 -14.723 -6.293 1.00 16.34 C ATOM 1067 C PRO A 142 -0.245 -13.470 -6.926 1.00 16.71 C ATOM 1068 O PRO A 142 -1.383 -13.095 -6.676 1.00 20.73 O ATOM 1069 CB PRO A 142 0.013 -16.005 -7.087 1.00 16.12 C ATOM 1070 CG PRO A 142 -0.493 -17.008 -6.055 1.00 23.05 C ATOM 1071 CD PRO A 142 -0.789 -16.246 -4.764 1.00 16.51 C ATOM 0 HA PRO A 142 1.294 -14.566 -6.302 1.00 16.34 H new ATOM 0 HB2 PRO A 142 -0.658 -15.835 -7.766 1.00 16.12 H new ATOM 0 HB3 PRO A 142 0.800 -16.341 -7.544 1.00 16.12 H new ATOM 0 HG2 PRO A 142 -1.292 -17.453 -6.378 1.00 23.05 H new ATOM 0 HG3 PRO A 142 0.171 -17.697 -5.898 1.00 23.05 H new ATOM 0 HD2 PRO A 142 -1.744 -16.137 -4.631 1.00 16.51 H new ATOM 0 HD3 PRO A 142 -0.447 -16.720 -3.990 1.00 16.51 H new ATOM 1072 N GLY A 143 0.572 -12.793 -7.731 1.00 14.23 N ATOM 1073 CA GLY A 143 0.116 -11.619 -8.421 1.00 14.70 C ATOM 1074 C GLY A 143 0.332 -10.303 -7.715 1.00 25.48 C ATOM 1075 O GLY A 143 0.281 -9.270 -8.382 1.00 23.43 O ATOM 0 H GLY A 143 1.391 -13.006 -7.883 1.00 14.23 H new ATOM 0 HA2 GLY A 143 0.561 -11.579 -9.282 1.00 14.70 H new ATOM 0 HA3 GLY A 143 -0.833 -11.718 -8.597 1.00 14.70 H new ATOM 1076 N ILE A 144 0.590 -10.316 -6.397 1.00 15.89 N ATOM 1077 CA ILE A 144 0.794 -9.061 -5.697 1.00 16.89 C ATOM 1078 C ILE A 144 2.249 -8.606 -5.885 1.00 17.82 C ATOM 1079 O ILE A 144 3.121 -9.447 -6.087 1.00 20.33 O ATOM 1080 CB ILE A 144 0.426 -9.252 -4.210 1.00 24.98 C ATOM 1081 CG1 ILE A 144 0.307 -7.937 -3.456 1.00 36.69 C ATOM 1082 CG2 ILE A 144 1.499 -10.056 -3.497 1.00 28.91 C ATOM 0 H ILE A 144 0.648 -11.024 -5.912 1.00 15.89 H new ATOM 0 HA ILE A 144 0.223 -8.365 -6.058 1.00 16.89 H new ATOM 0 HB ILE A 144 -0.431 -9.706 -4.212 1.00 24.98 H new ATOM 0 HG21 ILE A 144 1.254 -10.168 -2.565 1.00 28.91 H new ATOM 0 HG22 ILE A 144 1.583 -10.927 -3.916 1.00 28.91 H new ATOM 0 HG23 ILE A 144 2.346 -9.588 -3.554 1.00 28.91 H new ATOM 1083 N ASN A 145 2.504 -7.277 -5.827 1.00 17.70 N ATOM 1084 CA ASN A 145 3.847 -6.719 -5.924 1.00 13.24 C ATOM 1085 C ASN A 145 4.499 -6.640 -4.527 1.00 18.16 C ATOM 1086 O ASN A 145 3.887 -6.171 -3.553 1.00 16.50 O ATOM 1087 CB ASN A 145 3.820 -5.292 -6.491 1.00 18.63 C ATOM 1088 CG ASN A 145 5.158 -4.944 -7.112 1.00 24.28 C ATOM 1089 OD1 ASN A 145 6.195 -4.889 -6.437 1.00 18.86 O ATOM 1090 ND2 ASN A 145 5.175 -4.828 -8.430 1.00 30.77 N ATOM 0 H ASN A 145 1.889 -6.684 -5.730 1.00 17.70 H new ATOM 0 HA ASN A 145 4.351 -7.302 -6.512 1.00 13.24 H new ATOM 0 HB2 ASN A 145 3.118 -5.215 -7.156 1.00 18.63 H new ATOM 0 HB3 ASN A 145 3.611 -4.661 -5.785 1.00 18.63 H new ATOM 0 HD21 ASN A 145 5.921 -4.711 -8.842 1.00 30.77 H new ATOM 0 HD22 ASN A 145 4.440 -4.870 -8.875 1.00 30.77 H new ATOM 1091 N LEU A 146 5.759 -7.073 -4.420 1.00 16.29 N ATOM 1092 CA LEU A 146 6.446 -7.020 -3.106 1.00 18.29 C ATOM 1093 C LEU A 146 6.390 -5.640 -2.514 1.00 17.93 C ATOM 1094 O LEU A 146 6.396 -5.432 -1.302 1.00 18.59 O ATOM 1095 CB LEU A 146 7.953 -7.353 -3.216 1.00 22.30 C ATOM 1096 CG LEU A 146 8.354 -8.796 -2.959 1.00 26.46 C ATOM 1097 CD1 LEU A 146 9.887 -8.914 -3.034 1.00 20.93 C ATOM 1098 CD2 LEU A 146 7.770 -9.295 -1.631 1.00 24.40 C ATOM 0 H LEU A 146 6.227 -7.392 -5.067 1.00 16.29 H new ATOM 0 HA LEU A 146 5.983 -7.672 -2.556 1.00 18.29 H new ATOM 0 HB2 LEU A 146 8.253 -7.109 -4.106 1.00 22.30 H new ATOM 0 HB3 LEU A 146 8.434 -6.789 -2.590 1.00 22.30 H new ATOM 0 HG LEU A 146 7.983 -9.375 -3.643 1.00 26.46 H new ATOM 0 HD11 LEU A 146 10.149 -9.833 -2.871 1.00 20.93 H new ATOM 0 HD12 LEU A 146 10.190 -8.643 -3.915 1.00 20.93 H new ATOM 0 HD13 LEU A 146 10.289 -8.340 -2.364 1.00 20.93 H new ATOM 0 HD21 LEU A 146 8.037 -10.216 -1.486 1.00 24.40 H new ATOM 0 HD22 LEU A 146 8.101 -8.744 -0.904 1.00 24.40 H new ATOM 0 HD23 LEU A 146 6.802 -9.240 -1.662 1.00 24.40 H new ATOM 1099 N ARG A 147 6.378 -4.638 -3.399 1.00 16.23 N ATOM 1100 CA ARG A 147 6.374 -3.258 -2.913 1.00 17.49 C ATOM 1101 C ARG A 147 5.233 -2.994 -1.953 1.00 18.75 C ATOM 1102 O ARG A 147 5.389 -2.275 -0.994 1.00 20.59 O ATOM 1103 CB ARG A 147 6.344 -2.216 -4.024 1.00 22.72 C ATOM 1104 CG ARG A 147 6.297 -0.790 -3.486 1.00 25.99 C ATOM 1105 CD ARG A 147 6.303 0.251 -4.604 1.00 23.10 C ATOM 1106 NE ARG A 147 6.173 1.581 -4.059 1.00 24.47 N ATOM 1107 CZ ARG A 147 5.949 2.645 -4.786 1.00 30.17 C ATOM 1108 NH1 ARG A 147 5.836 2.550 -6.106 1.00 27.58 N ATOM 1109 NH2 ARG A 147 5.839 3.820 -4.177 1.00 27.46 N ATOM 0 H ARG A 147 6.372 -4.731 -4.254 1.00 16.23 H new ATOM 0 HA ARG A 147 7.218 -3.165 -2.445 1.00 17.49 H new ATOM 0 HB2 ARG A 147 7.129 -2.322 -4.584 1.00 22.72 H new ATOM 0 HB3 ARG A 147 5.570 -2.371 -4.588 1.00 22.72 H new ATOM 0 HG2 ARG A 147 5.500 -0.676 -2.945 1.00 25.99 H new ATOM 0 HG3 ARG A 147 7.058 -0.641 -2.904 1.00 25.99 H new ATOM 0 HD2 ARG A 147 7.127 0.183 -5.112 1.00 23.10 H new ATOM 0 HD3 ARG A 147 5.575 0.076 -5.220 1.00 23.10 H new ATOM 0 HE ARG A 147 6.247 1.680 -3.208 1.00 24.47 H new ATOM 0 HH11 ARG A 147 5.910 1.784 -6.490 1.00 27.58 H new ATOM 0 HH12 ARG A 147 5.689 3.254 -6.577 1.00 27.58 H new ATOM 0 HH21 ARG A 147 5.915 3.870 -3.322 1.00 27.46 H new ATOM 0 HH22 ARG A 147 5.692 4.531 -4.638 1.00 27.46 H new ATOM 1110 N GLU A 148 4.095 -3.584 -2.230 1.00 16.92 N ATOM 1111 CA GLU A 148 2.925 -3.386 -1.392 1.00 17.36 C ATOM 1112 C GLU A 148 3.189 -3.891 0.019 1.00 18.52 C ATOM 1113 O GLU A 148 2.741 -3.327 0.993 1.00 18.62 O ATOM 1114 CB GLU A 148 1.729 -4.166 -1.993 1.00 20.61 C ATOM 1115 CG GLU A 148 1.484 -3.796 -3.470 1.00 38.96 C ATOM 1116 CD GLU A 148 0.272 -4.468 -4.080 1.00 78.25 C ATOM 1117 OE1 GLU A 148 -0.818 -4.432 -3.542 1.00 67.45 O ATOM 1118 OE2 GLU A 148 0.489 -5.075 -5.244 1.00 31.56 O ATOM 0 H GLU A 148 3.972 -4.107 -2.901 1.00 16.92 H new ATOM 0 HA GLU A 148 2.723 -2.438 -1.355 1.00 17.36 H new ATOM 0 HB2 GLU A 148 1.897 -5.119 -1.922 1.00 20.61 H new ATOM 0 HB3 GLU A 148 0.929 -3.979 -1.476 1.00 20.61 H new ATOM 0 HG2 GLU A 148 1.378 -2.834 -3.540 1.00 38.96 H new ATOM 0 HG3 GLU A 148 2.269 -4.034 -3.988 1.00 38.96 H new ATOM 1119 N ILE A 149 3.907 -4.989 0.118 1.00 20.14 N ATOM 1120 CA ILE A 149 4.186 -5.562 1.413 1.00 16.20 C ATOM 1121 C ILE A 149 5.111 -4.670 2.236 1.00 21.05 C ATOM 1122 O ILE A 149 4.907 -4.444 3.423 1.00 15.75 O ATOM 1123 CB ILE A 149 4.812 -6.927 1.215 1.00 22.85 C ATOM 1124 CG1 ILE A 149 3.706 -7.895 0.813 1.00 25.13 C ATOM 1125 CG2 ILE A 149 5.523 -7.385 2.492 1.00 26.25 C ATOM 1126 CD1 ILE A 149 4.239 -9.215 0.271 1.00 26.48 C ATOM 0 H ILE A 149 4.241 -5.417 -0.549 1.00 20.14 H new ATOM 0 HA ILE A 149 3.354 -5.643 1.905 1.00 16.20 H new ATOM 0 HB ILE A 149 5.485 -6.894 0.517 1.00 22.85 H new ATOM 0 HG12 ILE A 149 3.142 -8.071 1.582 1.00 25.13 H new ATOM 0 HG13 ILE A 149 3.146 -7.477 0.140 1.00 25.13 H new ATOM 0 HG21 ILE A 149 5.917 -8.259 2.347 1.00 26.25 H new ATOM 0 HG22 ILE A 149 6.220 -6.750 2.720 1.00 26.25 H new ATOM 0 HG23 ILE A 149 4.883 -7.436 3.219 1.00 26.25 H new ATOM 0 HD11 ILE A 149 3.496 -9.791 0.032 1.00 26.48 H new ATOM 0 HD12 ILE A 149 4.783 -9.047 -0.514 1.00 26.48 H new ATOM 0 HD13 ILE A 149 4.778 -9.650 0.950 1.00 26.48 H new ATOM 1127 N GLY A 150 6.151 -4.165 1.603 1.00 17.12 N ATOM 1128 CA GLY A 150 7.088 -3.292 2.298 1.00 14.83 C ATOM 1129 C GLY A 150 6.373 -2.048 2.763 1.00 20.71 C ATOM 1130 O GLY A 150 6.560 -1.572 3.886 1.00 21.67 O ATOM 0 H GLY A 150 6.336 -4.311 0.776 1.00 17.12 H new ATOM 0 HA2 GLY A 150 7.475 -3.756 3.057 1.00 14.83 H new ATOM 0 HA3 GLY A 150 7.820 -3.054 1.708 1.00 14.83 H new ATOM 1131 N ALA A 151 5.530 -1.518 1.885 1.00 15.52 N ATOM 1132 CA ALA A 151 4.786 -0.313 2.224 1.00 17.86 C ATOM 1133 C ALA A 151 3.871 -0.544 3.435 1.00 18.69 C ATOM 1134 O ALA A 151 3.736 0.292 4.340 1.00 19.31 O ATOM 1135 CB ALA A 151 3.996 0.217 1.020 1.00 16.37 C ATOM 0 H ALA A 151 5.376 -1.834 1.100 1.00 15.52 H new ATOM 0 HA ALA A 151 5.432 0.368 2.470 1.00 17.86 H new ATOM 0 HB1 ALA A 151 3.512 1.018 1.277 1.00 16.37 H new ATOM 0 HB2 ALA A 151 4.609 0.428 0.298 1.00 16.37 H new ATOM 0 HB3 ALA A 151 3.367 -0.459 0.723 1.00 16.37 H new ATOM 1136 N ALA A 152 3.207 -1.691 3.457 1.00 12.37 N ATOM 1137 CA ALA A 152 2.302 -1.964 4.570 1.00 15.31 C ATOM 1138 C ALA A 152 3.033 -2.047 5.930 1.00 20.87 C ATOM 1139 O ALA A 152 2.562 -1.539 6.936 1.00 17.22 O ATOM 1140 CB ALA A 152 1.572 -3.260 4.279 1.00 16.36 C ATOM 0 H ALA A 152 3.260 -2.308 2.860 1.00 12.37 H new ATOM 0 HA ALA A 152 1.677 -1.226 4.646 1.00 15.31 H new ATOM 0 HB1 ALA A 152 0.964 -3.460 5.008 1.00 16.36 H new ATOM 0 HB2 ALA A 152 1.069 -3.170 3.455 1.00 16.36 H new ATOM 0 HB3 ALA A 152 2.215 -3.980 4.188 1.00 16.36 H new ATOM 1141 N ILE A 153 4.178 -2.739 5.951 1.00 16.92 N ATOM 1142 CA ILE A 153 4.972 -2.884 7.143 1.00 11.84 C ATOM 1143 C ILE A 153 5.350 -1.496 7.645 1.00 14.66 C ATOM 1144 O ILE A 153 5.130 -1.137 8.800 1.00 17.33 O ATOM 1145 CB ILE A 153 6.231 -3.683 6.842 1.00 15.05 C ATOM 1146 CG1 ILE A 153 5.833 -5.126 6.580 1.00 11.89 C ATOM 1147 CG2 ILE A 153 7.171 -3.624 8.056 1.00 15.55 C ATOM 1148 CD1 ILE A 153 7.026 -5.948 6.076 1.00 15.79 C ATOM 0 H ILE A 153 4.506 -3.135 5.262 1.00 16.92 H new ATOM 0 HA ILE A 153 4.463 -3.357 7.820 1.00 11.84 H new ATOM 0 HB ILE A 153 6.685 -3.316 6.067 1.00 15.05 H new ATOM 0 HG12 ILE A 153 5.486 -5.521 7.395 1.00 11.89 H new ATOM 0 HG13 ILE A 153 5.118 -5.153 5.925 1.00 11.89 H new ATOM 0 HG21 ILE A 153 7.975 -4.133 7.868 1.00 15.55 H new ATOM 0 HG22 ILE A 153 7.408 -2.701 8.238 1.00 15.55 H new ATOM 0 HG23 ILE A 153 6.724 -4.001 8.830 1.00 15.55 H new ATOM 0 HD11 ILE A 153 6.745 -6.863 5.917 1.00 15.79 H new ATOM 0 HD12 ILE A 153 7.358 -5.564 5.249 1.00 15.79 H new ATOM 0 HD13 ILE A 153 7.731 -5.938 6.742 1.00 15.79 H new ATOM 1149 N GLN A 154 5.918 -0.692 6.764 1.00 10.46 N ATOM 1150 CA GLN A 154 6.315 0.626 7.161 1.00 14.29 C ATOM 1151 C GLN A 154 5.185 1.450 7.731 1.00 19.06 C ATOM 1152 O GLN A 154 5.321 2.117 8.757 1.00 18.09 O ATOM 1153 CB GLN A 154 7.008 1.385 5.999 1.00 20.81 C ATOM 1154 CG GLN A 154 7.405 2.849 6.307 1.00 12.53 C ATOM 1155 CD GLN A 154 8.080 3.534 5.138 1.00 25.49 C ATOM 1156 OE1 GLN A 154 7.952 3.101 3.986 1.00 20.99 O ATOM 1157 NE2 GLN A 154 8.812 4.600 5.433 1.00 26.81 N ATOM 0 H GLN A 154 6.078 -0.894 5.943 1.00 10.46 H new ATOM 0 HA GLN A 154 6.955 0.499 7.879 1.00 14.29 H new ATOM 0 HB2 GLN A 154 7.806 0.896 5.744 1.00 20.81 H new ATOM 0 HB3 GLN A 154 6.415 1.381 5.231 1.00 20.81 H new ATOM 0 HG2 GLN A 154 6.612 3.349 6.555 1.00 12.53 H new ATOM 0 HG3 GLN A 154 8.001 2.864 7.073 1.00 12.53 H new ATOM 0 HE21 GLN A 154 8.874 4.867 6.248 1.00 26.81 H new ATOM 0 HE22 GLN A 154 9.225 5.024 4.809 1.00 26.81 H new ATOM 1158 N LYS A 155 4.070 1.455 7.036 1.00 13.94 N ATOM 1159 CA LYS A 155 2.972 2.254 7.520 1.00 15.33 C ATOM 1160 C LYS A 155 2.558 1.865 8.919 1.00 16.80 C ATOM 1161 O LYS A 155 2.265 2.717 9.753 1.00 19.37 O ATOM 1162 CB LYS A 155 1.767 2.152 6.600 1.00 19.24 C ATOM 1163 CG LYS A 155 1.472 3.452 5.882 1.00 42.91 C ATOM 0 H LYS A 155 3.929 1.020 6.308 1.00 13.94 H new ATOM 0 HA LYS A 155 3.290 3.170 7.535 1.00 15.33 H new ATOM 0 HB2 LYS A 155 1.922 1.453 5.946 1.00 19.24 H new ATOM 0 HB3 LYS A 155 0.990 1.889 7.118 1.00 19.24 H new ATOM 1164 N PHE A 156 2.505 0.564 9.153 1.00 15.51 N ATOM 1165 CA PHE A 156 2.092 0.018 10.431 1.00 12.72 C ATOM 1166 C PHE A 156 3.026 0.427 11.564 1.00 14.33 C ATOM 1167 O PHE A 156 2.662 0.949 12.621 1.00 16.78 O ATOM 1168 CB PHE A 156 2.010 -1.513 10.314 1.00 14.03 C ATOM 1169 CG PHE A 156 1.643 -2.151 11.641 1.00 20.02 C ATOM 1170 CD1 PHE A 156 0.389 -1.930 12.222 1.00 28.64 C ATOM 1171 CD2 PHE A 156 2.554 -2.948 12.338 1.00 20.45 C ATOM 1172 CE1 PHE A 156 0.018 -2.507 13.441 1.00 25.37 C ATOM 1173 CE2 PHE A 156 2.212 -3.529 13.563 1.00 19.95 C ATOM 1174 CZ PHE A 156 0.946 -3.311 14.108 1.00 17.77 C ATOM 0 H PHE A 156 2.710 -0.032 8.568 1.00 15.51 H new ATOM 0 HA PHE A 156 1.220 0.380 10.652 1.00 12.72 H new ATOM 0 HB2 PHE A 156 1.350 -1.753 9.644 1.00 14.03 H new ATOM 0 HB3 PHE A 156 2.863 -1.862 10.010 1.00 14.03 H new ATOM 0 HD1 PHE A 156 -0.219 -1.380 11.782 1.00 28.64 H new ATOM 0 HD2 PHE A 156 3.401 -3.094 11.982 1.00 20.45 H new ATOM 0 HE1 PHE A 156 -0.827 -2.359 13.799 1.00 25.37 H new ATOM 0 HE2 PHE A 156 2.828 -4.060 14.014 1.00 19.95 H new ATOM 0 HZ PHE A 156 0.719 -3.703 14.920 1.00 17.77 H new ATOM 1175 N VAL A 157 4.274 0.160 11.334 1.00 14.39 N ATOM 1176 CA VAL A 157 5.317 0.463 12.305 1.00 16.98 C ATOM 1177 C VAL A 157 5.397 1.934 12.665 1.00 15.37 C ATOM 1178 O VAL A 157 5.512 2.289 13.820 1.00 16.78 O ATOM 1179 CB VAL A 157 6.673 -0.066 11.816 1.00 15.66 C ATOM 1180 CG1 VAL A 157 7.795 0.517 12.653 1.00 18.03 C ATOM 1181 CG2 VAL A 157 6.639 -1.592 11.863 1.00 16.50 C ATOM 0 H VAL A 157 4.560 -0.205 10.610 1.00 14.39 H new ATOM 0 HA VAL A 157 5.076 0.005 13.125 1.00 16.98 H new ATOM 0 HB VAL A 157 6.841 0.208 10.901 1.00 15.66 H new ATOM 0 HG11 VAL A 157 8.646 0.177 12.336 1.00 18.03 H new ATOM 0 HG12 VAL A 157 7.786 1.484 12.578 1.00 18.03 H new ATOM 0 HG13 VAL A 157 7.672 0.264 13.581 1.00 18.03 H new ATOM 0 HG21 VAL A 157 7.489 -1.944 11.557 1.00 16.50 H new ATOM 0 HG22 VAL A 157 6.477 -1.884 12.774 1.00 16.50 H new ATOM 0 HG23 VAL A 157 5.929 -1.918 11.288 1.00 16.50 H new ATOM 1182 N GLU A 158 5.394 2.794 11.663 1.00 13.57 N ATOM 1183 CA GLU A 158 5.491 4.221 11.888 1.00 13.32 C ATOM 1184 C GLU A 158 4.256 4.727 12.585 1.00 17.53 C ATOM 1185 O GLU A 158 4.358 5.633 13.388 1.00 20.64 O ATOM 1186 CB GLU A 158 5.756 4.977 10.581 1.00 13.73 C ATOM 1187 CG GLU A 158 7.078 4.521 9.952 1.00 18.84 C ATOM 1188 CD GLU A 158 7.448 5.390 8.784 1.00 29.83 C ATOM 1189 OE1 GLU A 158 6.651 6.139 8.274 1.00 24.30 O ATOM 1190 OE2 GLU A 158 8.700 5.285 8.398 1.00 20.62 O ATOM 0 H GLU A 158 5.336 2.567 10.835 1.00 13.57 H new ATOM 0 HA GLU A 158 6.251 4.387 12.468 1.00 13.32 H new ATOM 0 HB2 GLU A 158 5.027 4.824 9.960 1.00 13.73 H new ATOM 0 HB3 GLU A 158 5.786 5.931 10.754 1.00 13.73 H new ATOM 0 HG2 GLU A 158 7.783 4.550 10.617 1.00 18.84 H new ATOM 0 HG3 GLU A 158 7.000 3.599 9.661 1.00 18.84 H new ATOM 1191 N ALA A 159 3.088 4.135 12.308 1.00 14.05 N ATOM 1192 CA ALA A 159 1.878 4.558 12.988 1.00 15.47 C ATOM 1193 C ALA A 159 1.947 4.260 14.482 1.00 21.30 C ATOM 1194 O ALA A 159 1.255 4.869 15.283 1.00 20.62 O ATOM 1195 CB ALA A 159 0.656 3.881 12.414 1.00 15.60 C ATOM 0 H ALA A 159 2.984 3.499 11.739 1.00 14.05 H new ATOM 0 HA ALA A 159 1.806 5.516 12.854 1.00 15.47 H new ATOM 0 HB1 ALA A 159 -0.134 4.183 12.888 1.00 15.60 H new ATOM 0 HB2 ALA A 159 0.574 4.104 11.474 1.00 15.60 H new ATOM 0 HB3 ALA A 159 0.743 2.920 12.511 1.00 15.60 H new ATOM 1196 N GLU A 160 2.795 3.315 14.858 1.00 18.49 N ATOM 1197 CA GLU A 160 2.943 2.941 16.258 1.00 18.14 C ATOM 1198 C GLU A 160 4.081 3.656 16.943 1.00 18.33 C ATOM 1199 O GLU A 160 4.432 3.308 18.058 1.00 23.51 O ATOM 1200 CB GLU A 160 3.098 1.434 16.401 1.00 17.26 C ATOM 1201 CG GLU A 160 1.879 0.699 15.832 1.00 23.11 C ATOM 1202 CD GLU A 160 0.711 0.936 16.726 1.00 55.98 C ATOM 1203 OE1 GLU A 160 0.861 1.138 17.918 1.00 37.97 O ATOM 1204 OE2 GLU A 160 -0.438 0.955 16.090 1.00 51.75 O ATOM 0 H GLU A 160 3.297 2.875 14.316 1.00 18.49 H new ATOM 0 HA GLU A 160 2.128 3.221 16.704 1.00 18.14 H new ATOM 0 HB2 GLU A 160 3.900 1.143 15.939 1.00 17.26 H new ATOM 0 HB3 GLU A 160 3.210 1.205 17.337 1.00 17.26 H new ATOM 0 HG2 GLU A 160 1.685 1.015 14.936 1.00 23.11 H new ATOM 0 HG3 GLU A 160 2.062 -0.251 15.764 1.00 23.11 H new ATOM 1205 N GLY A 161 4.668 4.628 16.260 1.00 17.55 N ATOM 1206 CA GLY A 161 5.725 5.476 16.780 1.00 17.01 C ATOM 1207 C GLY A 161 7.144 4.937 16.747 1.00 22.28 C ATOM 1208 O GLY A 161 8.042 5.503 17.396 1.00 18.32 O ATOM 0 H GLY A 161 4.452 4.818 15.449 1.00 17.55 H new ATOM 0 HA2 GLY A 161 5.711 6.309 16.283 1.00 17.01 H new ATOM 0 HA3 GLY A 161 5.509 5.691 17.701 1.00 17.01 H new ATOM 1209 N PHE A 162 7.342 3.864 15.980 1.00 15.84 N ATOM 1210 CA PHE A 162 8.645 3.246 15.821 1.00 12.40 C ATOM 1211 C PHE A 162 9.188 3.464 14.424 1.00 18.38 C ATOM 1212 O PHE A 162 8.526 4.074 13.613 1.00 18.72 O ATOM 1213 CB PHE A 162 8.560 1.757 16.096 1.00 14.93 C ATOM 1214 CG PHE A 162 8.163 1.445 17.520 1.00 18.05 C ATOM 1215 CD1 PHE A 162 8.663 2.205 18.579 1.00 16.20 C ATOM 1216 CD2 PHE A 162 7.327 0.361 17.804 1.00 18.91 C ATOM 1217 CE1 PHE A 162 8.343 1.872 19.895 1.00 19.57 C ATOM 1218 CE2 PHE A 162 6.998 0.020 19.117 1.00 22.00 C ATOM 1219 CZ PHE A 162 7.507 0.791 20.164 1.00 17.45 C ATOM 0 H PHE A 162 6.715 3.476 15.537 1.00 15.84 H new ATOM 0 HA PHE A 162 9.246 3.662 16.458 1.00 12.40 H new ATOM 0 HB2 PHE A 162 7.916 1.357 15.490 1.00 14.93 H new ATOM 0 HB3 PHE A 162 9.419 1.348 15.907 1.00 14.93 H new ATOM 0 HD1 PHE A 162 9.211 2.936 18.406 1.00 16.20 H new ATOM 0 HD2 PHE A 162 6.983 -0.144 17.103 1.00 18.91 H new ATOM 0 HE1 PHE A 162 8.690 2.374 20.597 1.00 19.57 H new ATOM 0 HE2 PHE A 162 6.448 -0.709 19.292 1.00 22.00 H new ATOM 0 HZ PHE A 162 7.287 0.582 21.043 1.00 17.45 H new ATOM 1220 N SER A 163 10.381 2.969 14.127 1.00 16.11 N ATOM 1221 CA SER A 163 10.948 3.162 12.785 1.00 13.21 C ATOM 1222 C SER A 163 11.438 1.851 12.200 1.00 18.07 C ATOM 1223 O SER A 163 11.726 0.901 12.949 1.00 17.09 O ATOM 1224 CB SER A 163 12.077 4.176 12.829 1.00 19.36 C ATOM 1225 OG SER A 163 13.071 3.665 13.675 1.00 29.07 O ATOM 0 H SER A 163 10.876 2.525 14.672 1.00 16.11 H new ATOM 0 HA SER A 163 10.244 3.501 12.210 1.00 13.21 H new ATOM 0 HB2 SER A 163 12.432 4.330 11.940 1.00 19.36 H new ATOM 0 HB3 SER A 163 11.756 5.030 13.158 1.00 19.36 H new ATOM 0 HG SER A 163 13.092 4.113 14.385 1.00 29.07 H new ATOM 1226 N VAL A 164 11.549 1.780 10.870 1.00 14.87 N ATOM 1227 CA VAL A 164 12.004 0.524 10.253 1.00 12.18 C ATOM 1228 C VAL A 164 13.387 0.661 9.692 1.00 17.31 C ATOM 1229 O VAL A 164 13.688 1.669 9.056 1.00 16.50 O ATOM 1230 CB VAL A 164 11.012 -0.111 9.230 1.00 21.61 C ATOM 1231 CG1 VAL A 164 10.458 0.922 8.275 1.00 27.72 C ATOM 1232 CG2 VAL A 164 11.703 -1.177 8.387 1.00 18.75 C ATOM 0 H VAL A 164 11.374 2.420 10.323 1.00 14.87 H new ATOM 0 HA VAL A 164 12.031 -0.117 10.981 1.00 12.18 H new ATOM 0 HB VAL A 164 10.295 -0.499 9.755 1.00 21.61 H new ATOM 0 HG11 VAL A 164 9.847 0.495 7.655 1.00 27.72 H new ATOM 0 HG12 VAL A 164 9.985 1.605 8.776 1.00 27.72 H new ATOM 0 HG13 VAL A 164 11.186 1.330 7.781 1.00 27.72 H new ATOM 0 HG21 VAL A 164 11.067 -1.556 7.760 1.00 18.75 H new ATOM 0 HG22 VAL A 164 12.439 -0.777 7.898 1.00 18.75 H new ATOM 0 HG23 VAL A 164 12.043 -1.877 8.966 1.00 18.75 H new ATOM 1233 N VAL A 165 14.229 -0.353 9.927 1.00 12.39 N ATOM 1234 CA VAL A 165 15.587 -0.304 9.410 1.00 13.04 C ATOM 1235 C VAL A 165 15.579 -0.523 7.898 1.00 19.97 C ATOM 1236 O VAL A 165 14.973 -1.481 7.402 1.00 14.01 O ATOM 1237 CB VAL A 165 16.484 -1.328 10.080 1.00 15.84 C ATOM 1238 CG1 VAL A 165 17.843 -1.362 9.370 1.00 15.62 C ATOM 1239 CG2 VAL A 165 16.639 -0.965 11.563 1.00 18.70 C ATOM 0 H VAL A 165 14.033 -1.061 10.374 1.00 12.39 H new ATOM 0 HA VAL A 165 15.946 0.575 9.609 1.00 13.04 H new ATOM 0 HB VAL A 165 16.090 -2.212 10.019 1.00 15.84 H new ATOM 0 HG11 VAL A 165 18.416 -2.017 9.799 1.00 15.62 H new ATOM 0 HG12 VAL A 165 17.716 -1.604 8.439 1.00 15.62 H new ATOM 0 HG13 VAL A 165 18.258 -0.487 9.422 1.00 15.62 H new ATOM 0 HG21 VAL A 165 17.212 -1.616 11.998 1.00 18.70 H new ATOM 0 HG22 VAL A 165 17.036 -0.083 11.641 1.00 18.70 H new ATOM 0 HG23 VAL A 165 15.768 -0.966 11.989 1.00 18.70 H new ATOM 1240 N ARG A 166 16.272 0.377 7.178 1.00 17.84 N ATOM 1241 CA ARG A 166 16.305 0.324 5.715 1.00 17.68 C ATOM 1242 C ARG A 166 17.320 -0.605 5.102 1.00 21.16 C ATOM 1243 O ARG A 166 17.034 -1.270 4.112 1.00 24.73 O ATOM 1244 CB ARG A 166 16.506 1.724 5.121 1.00 17.70 C ATOM 1245 CG ARG A 166 15.629 2.796 5.742 1.00 22.22 C ATOM 1246 CD ARG A 166 14.220 2.690 5.232 1.00 24.33 C ATOM 1247 NE ARG A 166 13.450 3.936 5.265 1.00 33.73 N ATOM 1248 CZ ARG A 166 12.660 4.306 6.280 1.00 57.14 C ATOM 1249 NH1 ARG A 166 12.536 3.588 7.408 1.00 29.24 N ATOM 1250 NH2 ARG A 166 11.974 5.447 6.169 1.00 34.69 N ATOM 0 H ARG A 166 16.726 1.021 7.522 1.00 17.84 H new ATOM 0 HA ARG A 166 15.437 -0.044 5.488 1.00 17.68 H new ATOM 0 HB2 ARG A 166 17.436 1.979 5.228 1.00 17.70 H new ATOM 0 HB3 ARG A 166 16.330 1.688 4.168 1.00 17.70 H new ATOM 0 HG2 ARG A 166 15.636 2.707 6.708 1.00 22.22 H new ATOM 0 HG3 ARG A 166 15.987 3.673 5.536 1.00 22.22 H new ATOM 0 HD2 ARG A 166 14.245 2.366 4.318 1.00 24.33 H new ATOM 0 HD3 ARG A 166 13.751 2.022 5.756 1.00 24.33 H new ATOM 0 HE ARG A 166 13.509 4.464 4.589 1.00 33.73 H new ATOM 0 HH11 ARG A 166 12.976 2.855 7.502 1.00 29.24 H new ATOM 0 HH12 ARG A 166 12.017 3.861 8.037 1.00 29.24 H new ATOM 0 HH21 ARG A 166 12.046 5.925 5.457 1.00 34.69 H new ATOM 0 HH22 ARG A 166 11.460 5.704 6.809 1.00 34.69 H new ATOM 1251 N GLU A 167 18.492 -0.644 5.701 1.00 16.87 N ATOM 1252 CA GLU A 167 19.625 -1.412 5.216 1.00 20.86 C ATOM 1253 C GLU A 167 19.579 -2.910 5.110 1.00 21.32 C ATOM 1254 O GLU A 167 20.316 -3.518 4.328 1.00 26.95 O ATOM 1255 CB GLU A 167 20.928 -1.025 5.914 1.00 22.20 C ATOM 1256 CG GLU A 167 21.208 0.450 5.732 1.00 23.05 C ATOM 1257 CD GLU A 167 20.506 1.308 6.737 1.00 30.19 C ATOM 1258 OE1 GLU A 167 19.553 0.948 7.408 1.00 30.77 O ATOM 1259 OE2 GLU A 167 21.038 2.494 6.796 1.00 30.29 O ATOM 0 H GLU A 167 18.659 -0.211 6.425 1.00 16.87 H new ATOM 0 HA GLU A 167 19.571 -1.135 4.288 1.00 20.86 H new ATOM 0 HB2 GLU A 167 20.870 -1.235 6.859 1.00 22.20 H new ATOM 0 HB3 GLU A 167 21.662 -1.546 5.553 1.00 22.20 H new ATOM 0 HG2 GLU A 167 22.164 0.603 5.796 1.00 23.05 H new ATOM 0 HG3 GLU A 167 20.937 0.718 4.840 1.00 23.05 H new ATOM 1260 N TYR A 168 18.801 -3.537 5.928 1.00 16.32 N ATOM 1261 CA TYR A 168 18.793 -4.980 5.883 1.00 17.38 C ATOM 1262 C TYR A 168 17.420 -5.415 5.464 1.00 24.99 C ATOM 1263 O TYR A 168 16.453 -4.706 5.760 1.00 31.10 O ATOM 1264 CB TYR A 168 19.202 -5.568 7.240 1.00 27.48 C ATOM 1265 CG TYR A 168 20.663 -5.283 7.521 1.00 29.50 C ATOM 1266 CD1 TYR A 168 21.645 -6.201 7.148 1.00 27.50 C ATOM 1267 CD2 TYR A 168 21.045 -4.084 8.122 1.00 31.24 C ATOM 1268 CE1 TYR A 168 22.990 -5.939 7.404 1.00 35.53 C ATOM 1269 CE2 TYR A 168 22.389 -3.803 8.368 1.00 34.78 C ATOM 1270 CZ TYR A 168 23.363 -4.736 8.006 1.00 54.19 C ATOM 1271 OH TYR A 168 24.697 -4.466 8.250 1.00 70.12 O ATOM 0 H TYR A 168 18.279 -3.173 6.506 1.00 16.32 H new ATOM 0 HA TYR A 168 19.442 -5.309 5.241 1.00 17.38 H new ATOM 0 HB2 TYR A 168 18.652 -5.188 7.943 1.00 27.48 H new ATOM 0 HB3 TYR A 168 19.047 -6.525 7.244 1.00 27.48 H new ATOM 0 HD1 TYR A 168 21.401 -6.993 6.726 1.00 27.50 H new ATOM 0 HD2 TYR A 168 20.395 -3.464 8.362 1.00 31.24 H new ATOM 0 HE1 TYR A 168 23.638 -6.565 7.174 1.00 35.53 H new ATOM 0 HE2 TYR A 168 22.634 -3.001 8.770 1.00 34.78 H new ATOM 0 HH TYR A 168 24.769 -3.712 8.612 1.00 70.12 H new ATOM 1272 N CYS A 169 17.338 -6.535 4.749 1.00 17.77 N ATOM 1273 CA CYS A 169 16.040 -6.920 4.247 1.00 23.23 C ATOM 1274 C CYS A 169 15.928 -8.410 4.136 1.00 17.19 C ATOM 1275 O CYS A 169 16.918 -9.135 4.328 1.00 18.35 O ATOM 1276 CB CYS A 169 15.860 -6.277 2.842 1.00 32.90 C ATOM 1277 SG CYS A 169 17.191 -6.734 1.697 1.00 43.83 S ATOM 0 H CYS A 169 17.992 -7.059 4.554 1.00 17.77 H new ATOM 0 HA CYS A 169 15.352 -6.615 4.859 1.00 23.23 H new ATOM 0 HB2 CYS A 169 15.008 -6.552 2.470 1.00 32.90 H new ATOM 0 HB3 CYS A 169 15.831 -5.312 2.932 1.00 32.90 H new ATOM 0 HG CYS A 169 17.000 -6.213 0.633 1.00 43.83 H new ATOM 1278 N GLY A 170 14.718 -8.841 3.815 1.00 10.17 N ATOM 1279 CA GLY A 170 14.462 -10.263 3.635 1.00 9.84 C ATOM 1280 C GLY A 170 15.070 -10.691 2.297 1.00 15.30 C ATOM 1281 O GLY A 170 15.580 -9.866 1.520 1.00 14.86 O ATOM 0 H GLY A 170 14.035 -8.332 3.697 1.00 10.17 H new ATOM 0 HA2 GLY A 170 14.852 -10.772 4.363 1.00 9.84 H new ATOM 0 HA3 GLY A 170 13.508 -10.439 3.645 1.00 9.84 H new ATOM 1282 N HIS A 171 15.045 -11.979 2.018 1.00 13.56 N ATOM 1283 CA HIS A 171 15.700 -12.425 0.808 1.00 11.79 C ATOM 1284 C HIS A 171 15.196 -13.767 0.333 1.00 14.52 C ATOM 1285 O HIS A 171 14.641 -14.574 1.076 1.00 12.05 O ATOM 1286 CB HIS A 171 17.219 -12.632 1.159 1.00 10.83 C ATOM 1287 CG HIS A 171 17.379 -13.426 2.435 1.00 9.85 C ATOM 1288 ND1 HIS A 171 17.557 -14.797 2.441 1.00 11.25 N ATOM 1289 CD2 HIS A 171 17.290 -13.013 3.763 1.00 11.99 C ATOM 1290 CE1 HIS A 171 17.618 -15.196 3.732 1.00 14.29 C ATOM 1291 NE2 HIS A 171 17.450 -14.148 4.531 1.00 9.93 N ATOM 0 H HIS A 171 14.671 -12.590 2.494 1.00 13.56 H new ATOM 0 HA HIS A 171 15.534 -11.765 0.117 1.00 11.79 H new ATOM 0 HB2 HIS A 171 17.663 -13.093 0.430 1.00 10.83 H new ATOM 0 HB3 HIS A 171 17.652 -11.769 1.255 1.00 10.83 H new ATOM 0 HD1 HIS A 171 17.618 -15.304 1.749 1.00 11.25 H new ATOM 0 HD2 HIS A 171 17.151 -12.146 4.070 1.00 11.99 H new ATOM 0 HE1 HIS A 171 17.756 -16.070 4.017 1.00 14.29 H new ATOM 1292 N GLY A 172 15.431 -14.048 -0.949 1.00 11.93 N ATOM 1293 CA GLY A 172 15.077 -15.366 -1.411 1.00 12.15 C ATOM 1294 C GLY A 172 16.016 -16.341 -0.678 1.00 16.38 C ATOM 1295 O GLY A 172 17.081 -15.979 -0.143 1.00 15.29 O ATOM 0 H GLY A 172 15.775 -13.517 -1.531 1.00 11.93 H new ATOM 0 HA2 GLY A 172 14.148 -15.565 -1.214 1.00 12.15 H new ATOM 0 HA3 GLY A 172 15.185 -15.437 -2.372 1.00 12.15 H new ATOM 1296 N ILE A 173 15.615 -17.580 -0.648 1.00 11.00 N ATOM 1297 CA ILE A 173 16.371 -18.603 0.037 1.00 14.14 C ATOM 1298 C ILE A 173 16.045 -19.968 -0.529 1.00 19.24 C ATOM 1299 O ILE A 173 14.922 -20.204 -0.959 1.00 18.80 O ATOM 1300 CB ILE A 173 15.986 -18.543 1.537 1.00 13.47 C ATOM 1301 CG1 ILE A 173 16.768 -19.548 2.377 1.00 15.05 C ATOM 1302 CG2 ILE A 173 14.497 -18.849 1.688 1.00 11.94 C ATOM 1303 CD1 ILE A 173 16.752 -19.194 3.876 1.00 17.66 C ATOM 0 H ILE A 173 14.894 -17.861 -1.024 1.00 11.00 H new ATOM 0 HA ILE A 173 17.322 -18.453 -0.078 1.00 14.14 H new ATOM 0 HB ILE A 173 16.198 -17.651 1.853 1.00 13.47 H new ATOM 0 HG12 ILE A 173 16.392 -20.433 2.252 1.00 15.05 H new ATOM 0 HG13 ILE A 173 17.686 -19.583 2.065 1.00 15.05 H new ATOM 0 HG21 ILE A 173 14.252 -18.812 2.626 1.00 11.94 H new ATOM 0 HG22 ILE A 173 13.980 -18.194 1.194 1.00 11.94 H new ATOM 0 HG23 ILE A 173 14.312 -19.735 1.340 1.00 11.94 H new ATOM 0 HD11 ILE A 173 17.259 -19.857 4.371 1.00 17.66 H new ATOM 0 HD12 ILE A 173 17.150 -18.319 4.006 1.00 17.66 H new ATOM 0 HD13 ILE A 173 15.836 -19.183 4.196 1.00 17.66 H new ATOM 1304 N GLY A 174 16.986 -20.898 -0.519 1.00 10.87 N ATOM 1305 CA GLY A 174 16.703 -22.248 -1.013 1.00 11.19 C ATOM 1306 C GLY A 174 17.983 -23.077 -0.875 1.00 21.66 C ATOM 1307 O GLY A 174 18.455 -23.331 0.236 1.00 16.05 O ATOM 0 H GLY A 174 17.789 -20.776 -0.235 1.00 10.87 H new ATOM 0 HA2 GLY A 174 15.981 -22.651 -0.506 1.00 11.19 H new ATOM 0 HA3 GLY A 174 16.416 -22.218 -1.939 1.00 11.19 H new ATOM 1308 N GLN A 175 18.574 -23.452 -2.016 1.00 17.33 N ATOM 1309 CA GLN A 175 19.857 -24.127 -2.018 1.00 17.26 C ATOM 1310 C GLN A 175 20.881 -23.066 -1.616 1.00 15.92 C ATOM 1311 O GLN A 175 21.926 -23.355 -1.053 1.00 22.12 O ATOM 1312 CB GLN A 175 20.232 -24.695 -3.414 1.00 18.24 C ATOM 1313 CG GLN A 175 19.329 -25.839 -3.905 1.00 41.46 C ATOM 1314 CD GLN A 175 20.093 -27.116 -4.187 1.00 75.76 C ATOM 1315 OE1 GLN A 175 21.319 -27.183 -3.987 1.00100.00 O ATOM 1316 NE2 GLN A 175 19.370 -28.143 -4.629 1.00 56.53 N ATOM 0 H GLN A 175 18.240 -23.320 -2.797 1.00 17.33 H new ATOM 0 HA GLN A 175 19.832 -24.885 -1.413 1.00 17.26 H new ATOM 0 HB2 GLN A 175 20.201 -23.974 -4.062 1.00 18.24 H new ATOM 0 HB3 GLN A 175 21.148 -25.012 -3.385 1.00 18.24 H new ATOM 0 HG2 GLN A 175 18.648 -26.016 -3.237 1.00 41.46 H new ATOM 0 HG3 GLN A 175 18.869 -25.558 -4.712 1.00 41.46 H new ATOM 0 HE21 GLN A 175 18.524 -28.051 -4.753 1.00 56.53 H new ATOM 0 HE22 GLN A 175 19.749 -28.898 -4.790 1.00 56.53 H new ATOM 1317 N GLY A 176 20.581 -21.806 -1.898 1.00 13.97 N ATOM 1318 CA GLY A 176 21.438 -20.673 -1.555 1.00 15.41 C ATOM 1319 C GLY A 176 20.914 -19.999 -0.274 1.00 21.17 C ATOM 1320 O GLY A 176 19.727 -20.039 0.015 1.00 17.29 O ATOM 0 H GLY A 176 19.858 -21.578 -2.303 1.00 13.97 H new ATOM 0 HA2 GLY A 176 22.351 -20.974 -1.423 1.00 15.41 H new ATOM 0 HA3 GLY A 176 21.453 -20.034 -2.285 1.00 15.41 H new ATOM 1321 N PHE A 177 21.784 -19.381 0.505 1.00 17.20 N ATOM 1322 CA PHE A 177 21.356 -18.710 1.734 1.00 14.27 C ATOM 1323 C PHE A 177 20.608 -17.417 1.430 1.00 15.88 C ATOM 1324 O PHE A 177 19.506 -17.163 1.917 1.00 18.87 O ATOM 1325 CB PHE A 177 22.611 -18.407 2.583 1.00 15.82 C ATOM 1326 CG PHE A 177 22.436 -17.975 4.044 1.00 18.15 C ATOM 1327 CD1 PHE A 177 21.207 -17.598 4.589 1.00 15.33 C ATOM 1328 CD2 PHE A 177 23.550 -17.935 4.892 1.00 22.14 C ATOM 1329 CE1 PHE A 177 21.086 -17.186 5.921 1.00 18.35 C ATOM 1330 CE2 PHE A 177 23.449 -17.554 6.234 1.00 18.46 C ATOM 1331 CZ PHE A 177 22.209 -17.182 6.752 1.00 14.17 C ATOM 0 H PHE A 177 22.628 -19.335 0.346 1.00 17.20 H new ATOM 0 HA PHE A 177 20.748 -19.290 2.219 1.00 14.27 H new ATOM 0 HB2 PHE A 177 23.167 -19.202 2.578 1.00 15.82 H new ATOM 0 HB3 PHE A 177 23.110 -17.709 2.129 1.00 15.82 H new ATOM 0 HD1 PHE A 177 20.448 -17.621 4.052 1.00 15.33 H new ATOM 0 HD2 PHE A 177 24.383 -18.169 4.552 1.00 22.14 H new ATOM 0 HE1 PHE A 177 20.260 -16.916 6.252 1.00 18.35 H new ATOM 0 HE2 PHE A 177 24.204 -17.549 6.777 1.00 18.46 H new ATOM 0 HZ PHE A 177 22.130 -16.933 7.645 1.00 14.17 H new ATOM 1332 N HIS A 178 21.221 -16.564 0.626 1.00 12.91 N ATOM 1333 CA HIS A 178 20.636 -15.301 0.281 1.00 13.86 C ATOM 1334 C HIS A 178 20.431 -15.231 -1.216 1.00 25.85 C ATOM 1335 O HIS A 178 21.362 -14.931 -1.929 1.00 27.36 O ATOM 1336 CB HIS A 178 21.557 -14.157 0.714 1.00 13.68 C ATOM 1337 CG HIS A 178 21.634 -14.096 2.201 1.00 21.04 C ATOM 1338 ND1 HIS A 178 22.708 -14.665 2.899 1.00 24.50 N ATOM 1339 CD2 HIS A 178 20.766 -13.566 3.105 1.00 18.90 C ATOM 1340 CE1 HIS A 178 22.482 -14.447 4.203 1.00 22.09 C ATOM 1341 NE2 HIS A 178 21.320 -13.795 4.356 1.00 20.18 N ATOM 0 H HIS A 178 21.990 -16.709 0.268 1.00 12.91 H new ATOM 0 HA HIS A 178 19.784 -15.216 0.736 1.00 13.86 H new ATOM 0 HB2 HIS A 178 22.443 -14.288 0.342 1.00 13.68 H new ATOM 0 HB3 HIS A 178 21.224 -13.315 0.365 1.00 13.68 H new ATOM 0 HD2 HIS A 178 19.962 -13.136 2.921 1.00 18.90 H new ATOM 0 HE1 HIS A 178 23.045 -14.708 4.895 1.00 22.09 H new ATOM 0 HE2 HIS A 178 20.975 -13.558 5.107 1.00 20.18 H new ATOM 1342 N GLU A 179 19.252 -15.548 -1.696 1.00 16.53 N ATOM 1343 CA GLU A 179 18.989 -15.495 -3.118 1.00 14.75 C ATOM 1344 C GLU A 179 18.097 -14.305 -3.458 1.00 21.87 C ATOM 1345 O GLU A 179 17.621 -13.591 -2.574 1.00 18.68 O ATOM 1346 CB GLU A 179 18.213 -16.758 -3.537 1.00 14.89 C ATOM 1347 CG GLU A 179 18.853 -18.110 -3.180 1.00 17.73 C ATOM 1348 CD GLU A 179 17.975 -19.272 -3.555 1.00 22.82 C ATOM 1349 OE1 GLU A 179 16.771 -19.185 -3.784 1.00 27.42 O ATOM 1350 OE2 GLU A 179 18.624 -20.402 -3.596 1.00 23.17 O ATOM 0 H GLU A 179 18.584 -15.798 -1.215 1.00 16.53 H new ATOM 0 HA GLU A 179 19.841 -15.423 -3.576 1.00 14.75 H new ATOM 0 HB2 GLU A 179 17.333 -16.722 -3.130 1.00 14.89 H new ATOM 0 HB3 GLU A 179 18.082 -16.729 -4.498 1.00 14.89 H new ATOM 0 HG2 GLU A 179 19.706 -18.192 -3.634 1.00 17.73 H new ATOM 0 HG3 GLU A 179 19.035 -18.138 -2.228 1.00 17.73 H new ATOM 1351 N GLU A 180 17.833 -14.089 -4.759 1.00 16.17 N ATOM 1352 CA GLU A 180 16.929 -13.007 -5.127 1.00 17.83 C ATOM 1353 C GLU A 180 15.554 -13.499 -4.733 1.00 21.31 C ATOM 1354 O GLU A 180 15.316 -14.717 -4.707 1.00 19.15 O ATOM 1355 CB GLU A 180 16.952 -12.756 -6.654 1.00 20.69 C ATOM 1356 CG GLU A 180 18.113 -11.834 -7.033 1.00 30.11 C ATOM 1357 CD GLU A 180 18.251 -11.635 -8.514 1.00 73.72 C ATOM 1358 OE1 GLU A 180 19.326 -11.647 -9.083 1.00 93.81 O ATOM 1359 OE2 GLU A 180 17.101 -11.429 -9.114 1.00 91.99 O ATOM 0 H GLU A 180 18.157 -14.543 -5.414 1.00 16.17 H new ATOM 0 HA GLU A 180 17.180 -12.177 -4.693 1.00 17.83 H new ATOM 0 HB2 GLU A 180 17.037 -13.600 -7.124 1.00 20.69 H new ATOM 0 HB3 GLU A 180 16.113 -12.359 -6.934 1.00 20.69 H new ATOM 0 HG2 GLU A 180 17.986 -10.972 -6.607 1.00 30.11 H new ATOM 0 HG3 GLU A 180 18.939 -12.204 -6.684 1.00 30.11 H new ATOM 1360 N PRO A 181 14.661 -12.582 -4.428 1.00 15.81 N ATOM 1361 CA PRO A 181 14.910 -11.171 -4.492 1.00 14.22 C ATOM 1362 C PRO A 181 15.221 -10.588 -3.126 1.00 22.02 C ATOM 1363 O PRO A 181 15.164 -11.285 -2.100 1.00 20.55 O ATOM 1364 CB PRO A 181 13.490 -10.616 -4.762 1.00 18.96 C ATOM 1365 CG PRO A 181 12.492 -11.605 -4.164 1.00 19.02 C ATOM 1366 CD PRO A 181 13.235 -12.931 -4.188 1.00 17.14 C ATOM 0 HA PRO A 181 15.627 -10.976 -5.116 1.00 14.22 H new ATOM 0 HB2 PRO A 181 13.384 -9.739 -4.361 1.00 18.96 H new ATOM 0 HB3 PRO A 181 13.339 -10.512 -5.715 1.00 18.96 H new ATOM 0 HG2 PRO A 181 12.240 -11.355 -3.261 1.00 19.02 H new ATOM 0 HG3 PRO A 181 11.675 -11.645 -4.685 1.00 19.02 H new ATOM 0 HD2 PRO A 181 13.128 -13.407 -3.349 1.00 17.14 H new ATOM 0 HD3 PRO A 181 12.894 -13.510 -4.888 1.00 17.14 H new ATOM 1367 N GLN A 182 15.472 -9.270 -3.136 1.00 19.18 N ATOM 1368 CA GLN A 182 15.655 -8.502 -1.902 1.00 17.71 C ATOM 1369 C GLN A 182 14.221 -8.158 -1.436 1.00 22.90 C ATOM 1370 O GLN A 182 13.397 -7.657 -2.210 1.00 20.51 O ATOM 1371 CB GLN A 182 16.392 -7.160 -2.115 1.00 18.66 C ATOM 1372 CG GLN A 182 17.932 -7.228 -2.063 1.00 41.43 C ATOM 1373 CD GLN A 182 18.576 -5.859 -1.813 1.00 93.52 C ATOM 1374 OE1 GLN A 182 19.561 -5.738 -1.062 1.00100.00 O ATOM 1375 NE2 GLN A 182 18.016 -4.810 -2.412 1.00 52.37 N ATOM 0 H GLN A 182 15.540 -8.803 -3.855 1.00 19.18 H new ATOM 0 HA GLN A 182 16.184 -9.023 -1.278 1.00 17.71 H new ATOM 0 HB2 GLN A 182 16.129 -6.799 -2.976 1.00 18.66 H new ATOM 0 HB3 GLN A 182 16.089 -6.533 -1.440 1.00 18.66 H new ATOM 0 HG2 GLN A 182 18.202 -7.841 -1.361 1.00 41.43 H new ATOM 0 HG3 GLN A 182 18.265 -7.590 -2.899 1.00 41.43 H new ATOM 0 HE21 GLN A 182 17.336 -4.921 -2.926 1.00 52.37 H new ATOM 0 HE22 GLN A 182 18.335 -4.021 -2.285 1.00 52.37 H new ATOM 1376 N VAL A 183 13.884 -8.420 -0.182 1.00 17.94 N ATOM 1377 CA VAL A 183 12.550 -8.112 0.310 1.00 15.41 C ATOM 1378 C VAL A 183 12.673 -6.946 1.260 1.00 17.57 C ATOM 1379 O VAL A 183 13.032 -7.121 2.428 1.00 19.97 O ATOM 1380 CB VAL A 183 11.913 -9.312 1.005 1.00 20.38 C ATOM 1381 CG1 VAL A 183 10.544 -8.958 1.568 1.00 17.71 C ATOM 1382 CG2 VAL A 183 11.822 -10.502 0.052 1.00 17.80 C ATOM 0 H VAL A 183 14.410 -8.774 0.399 1.00 17.94 H new ATOM 0 HA VAL A 183 11.971 -7.887 -0.435 1.00 15.41 H new ATOM 0 HB VAL A 183 12.481 -9.564 1.750 1.00 20.38 H new ATOM 0 HG11 VAL A 183 10.162 -9.736 2.003 1.00 17.71 H new ATOM 0 HG12 VAL A 183 10.635 -8.239 2.213 1.00 17.71 H new ATOM 0 HG13 VAL A 183 9.961 -8.673 0.847 1.00 17.71 H new ATOM 0 HG21 VAL A 183 11.415 -11.254 0.511 1.00 17.80 H new ATOM 0 HG22 VAL A 183 11.281 -10.261 -0.716 1.00 17.80 H new ATOM 0 HG23 VAL A 183 12.712 -10.748 -0.245 1.00 17.80 H new ATOM 1383 N LEU A 184 12.403 -5.753 0.732 1.00 15.26 N ATOM 1384 CA LEU A 184 12.464 -4.519 1.511 1.00 15.81 C ATOM 1385 C LEU A 184 11.314 -4.402 2.499 1.00 18.04 C ATOM 1386 O LEU A 184 10.157 -4.725 2.165 1.00 16.19 O ATOM 1387 CB LEU A 184 12.361 -3.292 0.594 1.00 15.53 C ATOM 1388 CG LEU A 184 13.708 -2.775 0.137 1.00 22.07 C ATOM 1389 CD1 LEU A 184 14.457 -3.907 -0.516 1.00 28.53 C ATOM 1390 CD2 LEU A 184 13.504 -1.634 -0.855 1.00 23.44 C ATOM 0 H LEU A 184 12.179 -5.637 -0.090 1.00 15.26 H new ATOM 0 HA LEU A 184 13.311 -4.550 1.982 1.00 15.81 H new ATOM 0 HB2 LEU A 184 11.828 -3.520 -0.184 1.00 15.53 H new ATOM 0 HB3 LEU A 184 11.891 -2.584 1.062 1.00 15.53 H new ATOM 0 HG LEU A 184 14.217 -2.441 0.892 1.00 22.07 H new ATOM 0 HD11 LEU A 184 15.324 -3.592 -0.815 1.00 28.53 H new ATOM 0 HD12 LEU A 184 14.578 -4.627 0.123 1.00 28.53 H new ATOM 0 HD13 LEU A 184 13.952 -4.233 -1.277 1.00 28.53 H new ATOM 0 HD21 LEU A 184 14.367 -1.302 -1.148 1.00 23.44 H new ATOM 0 HD22 LEU A 184 13.004 -1.957 -1.621 1.00 23.44 H new ATOM 0 HD23 LEU A 184 13.011 -0.917 -0.427 1.00 23.44 H new ATOM 1391 N HIS A 185 11.626 -3.910 3.713 1.00 14.22 N ATOM 1392 CA HIS A 185 10.582 -3.729 4.735 1.00 16.44 C ATOM 1393 C HIS A 185 9.992 -2.310 4.753 1.00 19.59 C ATOM 1394 O HIS A 185 9.409 -1.846 5.732 1.00 17.09 O ATOM 1395 CB HIS A 185 11.024 -4.209 6.144 1.00 15.38 C ATOM 1396 CG HIS A 185 11.527 -5.620 6.080 1.00 16.07 C ATOM 1397 ND1 HIS A 185 12.866 -5.920 6.243 1.00 15.60 N ATOM 1398 CD2 HIS A 185 10.863 -6.791 5.869 1.00 15.47 C ATOM 1399 CE1 HIS A 185 12.998 -7.249 6.130 1.00 12.71 C ATOM 1400 NE2 HIS A 185 11.820 -7.795 5.892 1.00 14.79 N ATOM 0 H HIS A 185 12.418 -3.681 3.958 1.00 14.22 H new ATOM 0 HA HIS A 185 9.856 -4.314 4.467 1.00 16.44 H new ATOM 0 HB2 HIS A 185 11.720 -3.627 6.487 1.00 15.38 H new ATOM 0 HB3 HIS A 185 10.277 -4.153 6.760 1.00 15.38 H new ATOM 0 HD1 HIS A 185 13.499 -5.357 6.390 1.00 15.60 H new ATOM 0 HD2 HIS A 185 9.949 -6.896 5.736 1.00 15.47 H new ATOM 0 HE1 HIS A 185 13.799 -7.716 6.208 1.00 12.71 H new ATOM 1401 N TYR A 186 10.128 -1.604 3.640 1.00 15.19 N ATOM 1402 CA TYR A 186 9.591 -0.270 3.549 1.00 15.52 C ATOM 1403 C TYR A 186 9.145 0.036 2.131 1.00 17.80 C ATOM 1404 O TYR A 186 9.418 -0.737 1.202 1.00 17.07 O ATOM 1405 CB TYR A 186 10.554 0.768 4.103 1.00 15.24 C ATOM 1406 CG TYR A 186 11.831 0.840 3.311 1.00 20.08 C ATOM 1407 CD1 TYR A 186 12.036 1.882 2.402 1.00 25.15 C ATOM 1408 CD2 TYR A 186 12.844 -0.108 3.482 1.00 23.90 C ATOM 1409 CE1 TYR A 186 13.226 1.992 1.675 1.00 21.71 C ATOM 1410 CE2 TYR A 186 14.040 -0.017 2.763 1.00 25.47 C ATOM 1411 CZ TYR A 186 14.225 1.029 1.853 1.00 34.85 C ATOM 1412 OH TYR A 186 15.398 1.109 1.121 1.00 44.13 O ATOM 0 H TYR A 186 10.528 -1.883 2.931 1.00 15.19 H new ATOM 0 HA TYR A 186 8.802 -0.224 4.111 1.00 15.52 H new ATOM 0 HB2 TYR A 186 10.125 1.638 4.101 1.00 15.24 H new ATOM 0 HB3 TYR A 186 10.760 0.555 5.027 1.00 15.24 H new ATOM 0 HD1 TYR A 186 11.367 2.516 2.278 1.00 25.15 H new ATOM 0 HD2 TYR A 186 12.721 -0.808 4.082 1.00 23.90 H new ATOM 0 HE1 TYR A 186 13.351 2.696 1.081 1.00 21.71 H new ATOM 0 HE2 TYR A 186 14.710 -0.650 2.889 1.00 25.47 H new ATOM 0 HH TYR A 186 15.903 0.471 1.330 1.00 44.13 H new ATOM 1413 N ASP A 187 8.452 1.167 2.002 1.00 18.25 N ATOM 1414 CA ASP A 187 7.964 1.610 0.688 1.00 17.80 C ATOM 1415 C ASP A 187 9.083 2.162 -0.170 1.00 22.12 C ATOM 1416 O ASP A 187 9.799 3.074 0.233 1.00 24.96 O ATOM 1417 CB ASP A 187 6.872 2.677 0.771 1.00 16.62 C ATOM 1418 CG ASP A 187 6.206 2.872 -0.581 1.00 28.20 C ATOM 1419 OD1 ASP A 187 6.524 2.255 -1.562 1.00 31.33 O ATOM 1420 OD2 ASP A 187 5.232 3.740 -0.574 1.00 47.75 O ATOM 0 H ASP A 187 8.253 1.691 2.655 1.00 18.25 H new ATOM 0 HA ASP A 187 7.589 0.810 0.287 1.00 17.80 H new ATOM 0 HB2 ASP A 187 6.208 2.416 1.429 1.00 16.62 H new ATOM 0 HB3 ASP A 187 7.255 3.516 1.072 1.00 16.62 H new ATOM 1421 N SER A 188 9.233 1.636 -1.364 1.00 19.06 N ATOM 1422 CA SER A 188 10.281 2.148 -2.236 1.00 22.64 C ATOM 1423 C SER A 188 9.838 2.015 -3.667 1.00 21.29 C ATOM 1424 O SER A 188 9.411 0.927 -4.073 1.00 18.51 O ATOM 1425 CB SER A 188 11.584 1.373 -2.078 1.00 26.49 C ATOM 1426 OG SER A 188 12.532 1.760 -3.066 1.00 28.84 O ATOM 0 H SER A 188 8.756 0.998 -1.689 1.00 19.06 H new ATOM 0 HA SER A 188 10.437 3.074 -1.993 1.00 22.64 H new ATOM 0 HB2 SER A 188 11.952 1.529 -1.194 1.00 26.49 H new ATOM 0 HB3 SER A 188 11.409 0.422 -2.149 1.00 26.49 H new ATOM 0 HG SER A 188 13.241 1.323 -2.960 1.00 28.84 H new ATOM 1427 N ARG A 189 9.968 3.123 -4.401 1.00 17.49 N ATOM 1428 CA ARG A 189 9.619 3.146 -5.808 1.00 17.92 C ATOM 1429 C ARG A 189 10.537 2.224 -6.586 1.00 23.38 C ATOM 1430 O ARG A 189 10.237 1.815 -7.693 1.00 24.45 O ATOM 1431 CB ARG A 189 9.695 4.563 -6.367 1.00 29.85 C ATOM 1432 CG ARG A 189 8.971 5.607 -5.517 1.00 59.15 C ATOM 1433 CD ARG A 189 9.410 7.056 -5.788 1.00 64.55 C ATOM 1434 NE ARG A 189 9.537 7.381 -7.214 1.00 49.88 N ATOM 1435 CZ ARG A 189 10.241 8.406 -7.720 1.00 61.04 C ATOM 1436 NH1 ARG A 189 10.906 9.267 -6.967 1.00 39.28 N ATOM 1437 NH2 ARG A 189 10.292 8.576 -9.030 1.00 41.04 N ATOM 0 H ARG A 189 10.259 3.872 -4.094 1.00 17.49 H new ATOM 0 HA ARG A 189 8.705 2.835 -5.901 1.00 17.92 H new ATOM 0 HB2 ARG A 189 10.627 4.818 -6.451 1.00 29.85 H new ATOM 0 HB3 ARG A 189 9.318 4.569 -7.261 1.00 29.85 H new ATOM 0 HG2 ARG A 189 8.017 5.534 -5.676 1.00 59.15 H new ATOM 0 HG3 ARG A 189 9.119 5.405 -4.580 1.00 59.15 H new ATOM 0 HD2 ARG A 189 8.768 7.660 -5.383 1.00 64.55 H new ATOM 0 HD3 ARG A 189 10.262 7.214 -5.352 1.00 64.55 H new ATOM 0 HE ARG A 189 9.126 6.872 -7.772 1.00 49.88 H new ATOM 0 HH11 ARG A 189 10.900 9.184 -6.111 1.00 39.28 H new ATOM 0 HH12 ARG A 189 11.344 9.910 -7.334 1.00 39.28 H new ATOM 0 HH21 ARG A 189 9.876 8.032 -9.551 1.00 41.04 H new ATOM 0 HH22 ARG A 189 10.741 9.230 -9.362 1.00 41.04 H new ATOM 1438 N GLU A 190 11.673 1.854 -5.995 1.00 19.91 N ATOM 1439 CA GLU A 190 12.597 0.933 -6.636 1.00 17.82 C ATOM 1440 C GLU A 190 12.091 -0.496 -6.706 1.00 25.66 C ATOM 1441 O GLU A 190 12.525 -1.266 -7.541 1.00 23.65 O ATOM 1442 CB GLU A 190 13.956 0.908 -5.922 1.00 19.59 C ATOM 1443 CG GLU A 190 14.524 2.327 -5.871 1.00 28.06 C ATOM 1444 CD GLU A 190 15.791 2.431 -5.079 1.00 55.50 C ATOM 1445 OE1 GLU A 190 16.004 3.298 -4.233 1.00 37.01 O ATOM 1446 OE2 GLU A 190 16.632 1.496 -5.420 1.00 22.43 O ATOM 0 H GLU A 190 11.924 2.129 -5.220 1.00 19.91 H new ATOM 0 HA GLU A 190 12.685 1.274 -7.540 1.00 17.82 H new ATOM 0 HB2 GLU A 190 13.855 0.556 -5.024 1.00 19.59 H new ATOM 0 HB3 GLU A 190 14.569 0.319 -6.390 1.00 19.59 H new ATOM 0 HG2 GLU A 190 14.690 2.635 -6.776 1.00 28.06 H new ATOM 0 HG3 GLU A 190 13.860 2.921 -5.486 1.00 28.06 H new ATOM 1447 N THR A 191 11.172 -0.864 -5.814 1.00 21.96 N ATOM 1448 CA THR A 191 10.682 -2.245 -5.756 1.00 23.13 C ATOM 1449 C THR A 191 9.643 -2.586 -6.798 1.00 24.79 C ATOM 1450 O THR A 191 8.636 -1.923 -6.865 1.00 19.32 O ATOM 1451 CB THR A 191 10.118 -2.548 -4.358 1.00 22.26 C ATOM 1452 OG1 THR A 191 11.103 -2.189 -3.403 1.00 25.59 O ATOM 1453 CG2 THR A 191 9.773 -4.029 -4.240 1.00 17.89 C ATOM 0 H THR A 191 10.820 -0.334 -5.236 1.00 21.96 H new ATOM 0 HA THR A 191 11.453 -2.801 -5.949 1.00 23.13 H new ATOM 0 HB THR A 191 9.305 -2.041 -4.204 1.00 22.26 H new ATOM 0 HG1 THR A 191 10.737 -2.058 -2.658 1.00 25.59 H new ATOM 0 HG21 THR A 191 9.418 -4.209 -3.355 1.00 17.89 H new ATOM 0 HG22 THR A 191 9.109 -4.261 -4.908 1.00 17.89 H new ATOM 0 HG23 THR A 191 10.572 -4.560 -4.382 1.00 17.89 H new ATOM 1454 N ASN A 192 9.893 -3.633 -7.575 1.00 28.90 N ATOM 1455 CA ASN A 192 8.959 -4.064 -8.615 1.00 29.66 C ATOM 1456 C ASN A 192 9.138 -5.553 -8.907 1.00 35.34 C ATOM 1457 O ASN A 192 9.863 -5.956 -9.824 1.00 32.40 O ATOM 1458 CB ASN A 192 9.150 -3.228 -9.907 1.00 39.75 C ATOM 1459 CG ASN A 192 7.986 -3.284 -10.884 1.00 61.00 C ATOM 1460 OD1 ASN A 192 6.993 -4.128 -10.597 1.00 90.13 O flip ATOM 1461 ND2 ASN A 192 7.993 -2.573 -11.897 1.00 29.40 N flip ATOM 0 H ASN A 192 10.604 -4.113 -7.517 1.00 28.90 H new ATOM 0 HA ASN A 192 8.056 -3.919 -8.293 1.00 29.66 H new ATOM 0 HB2 ASN A 192 9.302 -2.303 -9.658 1.00 39.75 H new ATOM 0 HB3 ASN A 192 9.951 -3.535 -10.360 1.00 39.75 H new ATOM 0 HD21 ASN A 192 8.653 -2.042 -12.045 1.00 29.40 H new ATOM 0 HD22 ASN A 192 7.338 -2.610 -12.453 1.00 29.40 H new ATOM 1462 N VAL A 193 8.473 -6.360 -8.081 1.00 25.47 N ATOM 1463 CA VAL A 193 8.516 -7.799 -8.180 1.00 20.27 C ATOM 1464 C VAL A 193 7.136 -8.373 -7.944 1.00 23.93 C ATOM 1465 O VAL A 193 6.530 -8.165 -6.900 1.00 22.14 O ATOM 1466 CB VAL A 193 9.462 -8.355 -7.124 1.00 25.02 C ATOM 1467 CG1 VAL A 193 9.475 -9.880 -7.189 1.00 24.01 C ATOM 1468 CG2 VAL A 193 10.864 -7.767 -7.319 1.00 25.80 C ATOM 0 H VAL A 193 7.978 -6.072 -7.439 1.00 25.47 H new ATOM 0 HA VAL A 193 8.826 -8.043 -9.066 1.00 20.27 H new ATOM 0 HB VAL A 193 9.153 -8.099 -6.241 1.00 25.02 H new ATOM 0 HG11 VAL A 193 10.079 -10.228 -6.514 1.00 24.01 H new ATOM 0 HG12 VAL A 193 8.581 -10.219 -7.027 1.00 24.01 H new ATOM 0 HG13 VAL A 193 9.774 -10.164 -8.067 1.00 24.01 H new ATOM 0 HG21 VAL A 193 11.462 -8.125 -6.644 1.00 25.80 H new ATOM 0 HG22 VAL A 193 11.194 -8.002 -8.200 1.00 25.80 H new ATOM 0 HG23 VAL A 193 10.824 -6.801 -7.236 1.00 25.80 H new ATOM 1469 N VAL A 194 6.638 -9.118 -8.914 1.00 16.28 N ATOM 1470 CA VAL A 194 5.336 -9.717 -8.769 1.00 16.41 C ATOM 1471 C VAL A 194 5.518 -11.128 -8.278 1.00 15.32 C ATOM 1472 O VAL A 194 6.321 -11.912 -8.799 1.00 18.43 O ATOM 1473 CB VAL A 194 4.553 -9.665 -10.094 1.00 21.39 C ATOM 1474 CG1 VAL A 194 3.284 -10.484 -9.995 1.00 18.27 C ATOM 1475 CG2 VAL A 194 4.229 -8.219 -10.473 1.00 22.62 C ATOM 0 H VAL A 194 7.037 -9.286 -9.657 1.00 16.28 H new ATOM 0 HA VAL A 194 4.810 -9.220 -8.123 1.00 16.41 H new ATOM 0 HB VAL A 194 5.110 -10.046 -10.791 1.00 21.39 H new ATOM 0 HG11 VAL A 194 2.804 -10.440 -10.837 1.00 18.27 H new ATOM 0 HG12 VAL A 194 3.509 -11.407 -9.799 1.00 18.27 H new ATOM 0 HG13 VAL A 194 2.725 -10.130 -9.286 1.00 18.27 H new ATOM 0 HG21 VAL A 194 3.737 -8.206 -11.309 1.00 22.62 H new ATOM 0 HG22 VAL A 194 3.691 -7.814 -9.775 1.00 22.62 H new ATOM 0 HG23 VAL A 194 5.054 -7.719 -10.576 1.00 22.62 H new ATOM 1476 N LEU A 195 4.769 -11.489 -7.273 1.00 15.21 N ATOM 1477 CA LEU A 195 4.895 -12.833 -6.735 1.00 16.01 C ATOM 1478 C LEU A 195 4.252 -13.931 -7.567 1.00 18.50 C ATOM 1479 O LEU A 195 3.225 -13.754 -8.228 1.00 16.06 O ATOM 1480 CB LEU A 195 4.244 -12.893 -5.334 1.00 17.38 C ATOM 1481 CG LEU A 195 5.153 -12.471 -4.190 1.00 27.38 C ATOM 1482 CD1 LEU A 195 6.494 -11.934 -4.648 1.00 23.22 C ATOM 1483 CD2 LEU A 195 4.427 -11.549 -3.231 1.00 30.93 C ATOM 0 H LEU A 195 4.187 -10.988 -6.885 1.00 15.21 H new ATOM 0 HA LEU A 195 5.850 -13.001 -6.723 1.00 16.01 H new ATOM 0 HB2 LEU A 195 3.458 -12.325 -5.332 1.00 17.38 H new ATOM 0 HB3 LEU A 195 3.940 -13.800 -5.171 1.00 17.38 H new ATOM 0 HG LEU A 195 5.378 -13.275 -3.696 1.00 27.38 H new ATOM 0 HD11 LEU A 195 7.024 -11.684 -3.875 1.00 23.22 H new ATOM 0 HD12 LEU A 195 6.962 -12.618 -5.152 1.00 23.22 H new ATOM 0 HD13 LEU A 195 6.356 -11.156 -5.210 1.00 23.22 H new ATOM 0 HD21 LEU A 195 5.025 -11.294 -2.512 1.00 30.93 H new ATOM 0 HD22 LEU A 195 4.134 -10.755 -3.705 1.00 30.93 H new ATOM 0 HD23 LEU A 195 3.656 -12.008 -2.862 1.00 30.93 H new ATOM 1484 N LYS A 196 4.855 -15.102 -7.486 1.00 18.30 N ATOM 1485 CA LYS A 196 4.332 -16.286 -8.179 1.00 20.28 C ATOM 1486 C LYS A 196 4.522 -17.531 -7.338 1.00 18.41 C ATOM 1487 O LYS A 196 5.410 -17.601 -6.524 1.00 20.26 O ATOM 1488 CB LYS A 196 4.772 -16.461 -9.621 1.00 24.49 C ATOM 1489 CG LYS A 196 6.238 -16.716 -9.834 1.00 23.52 C ATOM 1490 CD LYS A 196 6.539 -16.973 -11.313 1.00 34.40 C ATOM 0 H LYS A 196 5.573 -15.242 -7.034 1.00 18.30 H new ATOM 0 HA LYS A 196 3.380 -16.124 -8.274 1.00 20.28 H new ATOM 0 HB2 LYS A 196 4.274 -17.199 -10.006 1.00 24.49 H new ATOM 0 HB3 LYS A 196 4.525 -15.664 -10.115 1.00 24.49 H new ATOM 0 HG2 LYS A 196 6.751 -15.954 -9.523 1.00 23.52 H new ATOM 0 HG3 LYS A 196 6.517 -17.480 -9.306 1.00 23.52 H new ATOM 1491 N PRO A 197 3.678 -18.507 -7.489 1.00 15.97 N ATOM 1492 CA PRO A 197 3.790 -19.681 -6.676 1.00 16.24 C ATOM 1493 C PRO A 197 5.103 -20.393 -6.884 1.00 22.30 C ATOM 1494 O PRO A 197 5.658 -20.439 -7.989 1.00 16.40 O ATOM 1495 CB PRO A 197 2.605 -20.583 -7.012 1.00 22.42 C ATOM 1496 CG PRO A 197 1.738 -19.799 -7.996 1.00 26.26 C ATOM 1497 CD PRO A 197 2.520 -18.574 -8.433 1.00 19.83 C ATOM 0 HA PRO A 197 3.774 -19.434 -5.738 1.00 16.24 H new ATOM 0 HB2 PRO A 197 2.905 -21.418 -7.404 1.00 22.42 H new ATOM 0 HB3 PRO A 197 2.104 -20.809 -6.213 1.00 22.42 H new ATOM 0 HG2 PRO A 197 1.512 -20.349 -8.762 1.00 26.26 H new ATOM 0 HG3 PRO A 197 0.902 -19.537 -7.579 1.00 26.26 H new ATOM 0 HD2 PRO A 197 2.819 -18.656 -9.352 1.00 19.83 H new ATOM 0 HD3 PRO A 197 1.977 -17.772 -8.382 1.00 19.83 H new ATOM 1498 N GLY A 198 5.616 -20.950 -5.786 1.00 16.76 N ATOM 1499 CA GLY A 198 6.889 -21.656 -5.885 1.00 13.92 C ATOM 1500 C GLY A 198 8.059 -20.775 -5.461 1.00 15.45 C ATOM 1501 O GLY A 198 9.183 -21.223 -5.345 1.00 19.80 O ATOM 0 H GLY A 198 5.258 -20.932 -5.004 1.00 16.76 H new ATOM 0 HA2 GLY A 198 6.863 -22.450 -5.328 1.00 13.92 H new ATOM 0 HA3 GLY A 198 7.023 -21.955 -6.798 1.00 13.92 H new ATOM 1502 N MET A 199 7.807 -19.496 -5.250 1.00 12.90 N ATOM 1503 CA MET A 199 8.883 -18.638 -4.792 1.00 12.95 C ATOM 1504 C MET A 199 9.019 -18.852 -3.252 1.00 19.11 C ATOM 1505 O MET A 199 8.045 -19.040 -2.514 1.00 16.35 O ATOM 1506 CB MET A 199 8.551 -17.152 -5.028 1.00 13.19 C ATOM 1507 CG MET A 199 8.702 -16.687 -6.438 1.00 17.37 C ATOM 1508 SD MET A 199 8.341 -14.935 -6.513 1.00 26.96 S ATOM 1509 CE MET A 199 9.419 -14.412 -7.857 1.00 38.10 C ATOM 0 H MET A 199 7.045 -19.113 -5.361 1.00 12.90 H new ATOM 0 HA MET A 199 9.695 -18.858 -5.275 1.00 12.95 H new ATOM 0 HB2 MET A 199 7.638 -16.990 -4.744 1.00 13.19 H new ATOM 0 HB3 MET A 199 9.124 -16.613 -4.461 1.00 13.19 H new ATOM 0 HG2 MET A 199 9.604 -16.857 -6.753 1.00 17.37 H new ATOM 0 HG3 MET A 199 8.101 -17.178 -7.019 1.00 17.37 H new ATOM 0 HE1 MET A 199 10.158 -13.897 -7.498 1.00 38.10 H new ATOM 0 HE2 MET A 199 9.764 -15.193 -8.318 1.00 38.10 H new ATOM 0 HE3 MET A 199 8.917 -13.864 -8.481 1.00 38.10 H new ATOM 1510 N THR A 200 10.250 -18.828 -2.759 1.00 12.55 N ATOM 1511 CA THR A 200 10.465 -19.013 -1.329 1.00 12.30 C ATOM 1512 C THR A 200 11.356 -17.883 -0.870 1.00 16.26 C ATOM 1513 O THR A 200 12.385 -17.597 -1.497 1.00 14.96 O ATOM 1514 CB THR A 200 11.115 -20.380 -1.015 1.00 17.02 C ATOM 1515 OG1 THR A 200 12.314 -20.510 -1.774 1.00 17.81 O ATOM 1516 CG2 THR A 200 10.149 -21.478 -1.424 1.00 16.36 C ATOM 0 H THR A 200 10.963 -18.708 -3.224 1.00 12.55 H new ATOM 0 HA THR A 200 9.615 -19.004 -0.862 1.00 12.30 H new ATOM 0 HB THR A 200 11.318 -20.446 -0.069 1.00 17.02 H new ATOM 0 HG1 THR A 200 12.977 -20.375 -1.276 1.00 17.81 H new ATOM 0 HG21 THR A 200 10.543 -22.344 -1.233 1.00 16.36 H new ATOM 0 HG22 THR A 200 9.322 -21.383 -0.927 1.00 16.36 H new ATOM 0 HG23 THR A 200 9.965 -21.410 -2.374 1.00 16.36 H new ATOM 1517 N PHE A 201 10.953 -17.198 0.186 1.00 9.23 N ATOM 1518 CA PHE A 201 11.753 -16.093 0.650 1.00 9.77 C ATOM 1519 C PHE A 201 11.430 -15.843 2.122 1.00 16.34 C ATOM 1520 O PHE A 201 10.486 -16.477 2.684 1.00 12.63 O ATOM 1521 CB PHE A 201 11.586 -14.823 -0.198 1.00 12.27 C ATOM 1522 CG PHE A 201 10.136 -14.357 -0.295 1.00 17.85 C ATOM 1523 CD1 PHE A 201 9.315 -14.768 -1.348 1.00 19.61 C ATOM 1524 CD2 PHE A 201 9.594 -13.484 0.655 1.00 18.70 C ATOM 1525 CE1 PHE A 201 7.991 -14.330 -1.430 1.00 18.76 C ATOM 1526 CE2 PHE A 201 8.278 -13.019 0.574 1.00 19.88 C ATOM 1527 CZ PHE A 201 7.467 -13.453 -0.477 1.00 17.43 C ATOM 0 H PHE A 201 10.237 -17.354 0.636 1.00 9.23 H new ATOM 0 HA PHE A 201 12.688 -16.332 0.554 1.00 9.77 H new ATOM 0 HB2 PHE A 201 12.124 -14.112 0.184 1.00 12.27 H new ATOM 0 HB3 PHE A 201 11.928 -14.989 -1.091 1.00 12.27 H new ATOM 0 HD1 PHE A 201 9.653 -15.338 -2.000 1.00 19.61 H new ATOM 0 HD2 PHE A 201 10.127 -13.204 1.364 1.00 18.70 H new ATOM 0 HE1 PHE A 201 7.452 -14.626 -2.128 1.00 18.76 H new ATOM 0 HE2 PHE A 201 7.947 -12.428 1.212 1.00 19.88 H new ATOM 0 HZ PHE A 201 6.586 -13.161 -0.542 1.00 17.43 H new ATOM 1528 N THR A 202 12.233 -14.940 2.708 1.00 11.03 N ATOM 1529 CA THR A 202 12.020 -14.593 4.111 1.00 10.03 C ATOM 1530 C THR A 202 11.443 -13.179 4.240 1.00 12.96 C ATOM 1531 O THR A 202 11.644 -12.313 3.382 1.00 12.28 O ATOM 1532 CB THR A 202 13.383 -14.613 4.891 1.00 8.94 C ATOM 1533 OG1 THR A 202 14.203 -13.503 4.582 1.00 11.73 O ATOM 1534 CG2 THR A 202 14.166 -15.913 4.772 1.00 10.07 C ATOM 0 H THR A 202 12.884 -14.532 2.321 1.00 11.03 H new ATOM 0 HA THR A 202 11.403 -15.244 4.479 1.00 10.03 H new ATOM 0 HB THR A 202 13.117 -14.547 5.822 1.00 8.94 H new ATOM 0 HG1 THR A 202 14.676 -13.310 5.249 1.00 11.73 H new ATOM 0 HG21 THR A 202 14.990 -15.843 5.280 1.00 10.07 H new ATOM 0 HG22 THR A 202 13.633 -16.645 5.121 1.00 10.07 H new ATOM 0 HG23 THR A 202 14.375 -16.081 3.840 1.00 10.07 H new ATOM 1535 N ILE A 203 10.756 -12.920 5.351 1.00 7.55 N ATOM 1536 CA ILE A 203 10.288 -11.594 5.712 1.00 8.13 C ATOM 1537 C ILE A 203 10.904 -11.450 7.127 1.00 13.41 C ATOM 1538 O ILE A 203 10.744 -12.386 7.909 1.00 10.93 O ATOM 1539 CB ILE A 203 8.776 -11.443 5.722 1.00 14.53 C ATOM 1540 CG1 ILE A 203 8.311 -11.870 4.329 1.00 15.40 C ATOM 1541 CG2 ILE A 203 8.428 -9.972 5.962 1.00 14.98 C ATOM 1542 CD1 ILE A 203 6.842 -11.563 4.122 1.00 20.49 C ATOM 0 H ILE A 203 10.547 -13.526 5.925 1.00 7.55 H new ATOM 0 HA ILE A 203 10.549 -10.910 5.076 1.00 8.13 H new ATOM 0 HB ILE A 203 8.353 -11.974 6.415 1.00 14.53 H new ATOM 0 HG12 ILE A 203 8.838 -11.412 3.655 1.00 15.40 H new ATOM 0 HG13 ILE A 203 8.465 -12.820 4.211 1.00 15.40 H new ATOM 0 HG21 ILE A 203 7.464 -9.865 5.970 1.00 14.98 H new ATOM 0 HG22 ILE A 203 8.792 -9.688 6.815 1.00 14.98 H new ATOM 0 HG23 ILE A 203 8.807 -9.430 5.253 1.00 14.98 H new ATOM 0 HD11 ILE A 203 6.575 -11.843 3.233 1.00 20.49 H new ATOM 0 HD12 ILE A 203 6.315 -12.040 4.783 1.00 20.49 H new ATOM 0 HD13 ILE A 203 6.694 -10.609 4.218 1.00 20.49 H new ATOM 1543 N GLU A 204 11.666 -10.371 7.413 1.00 13.12 N ATOM 1544 CA GLU A 204 12.371 -10.272 8.703 1.00 9.79 C ATOM 1545 C GLU A 204 12.636 -8.818 9.107 1.00 12.02 C ATOM 1546 O GLU A 204 13.766 -8.311 9.222 1.00 11.40 O ATOM 1547 CB GLU A 204 13.702 -11.054 8.506 1.00 10.86 C ATOM 1548 CG GLU A 204 14.534 -10.663 7.234 1.00 14.72 C ATOM 1549 CD GLU A 204 15.876 -11.381 7.212 1.00 17.43 C ATOM 1550 OE1 GLU A 204 16.757 -11.104 7.999 1.00 19.87 O ATOM 1551 OE2 GLU A 204 16.001 -12.386 6.381 1.00 12.33 O ATOM 0 H GLU A 204 11.783 -9.703 6.884 1.00 13.12 H new ATOM 0 HA GLU A 204 11.835 -10.642 9.422 1.00 9.79 H new ATOM 0 HB2 GLU A 204 14.257 -10.919 9.290 1.00 10.86 H new ATOM 0 HB3 GLU A 204 13.499 -12.001 8.462 1.00 10.86 H new ATOM 0 HG2 GLU A 204 14.032 -10.886 6.435 1.00 14.72 H new ATOM 0 HG3 GLU A 204 14.677 -9.704 7.220 1.00 14.72 H new ATOM 1552 N PRO A 205 11.559 -8.100 9.300 1.00 12.04 N ATOM 1553 CA PRO A 205 11.660 -6.701 9.634 1.00 10.86 C ATOM 1554 C PRO A 205 12.433 -6.416 10.926 1.00 15.27 C ATOM 1555 O PRO A 205 12.268 -7.103 11.932 1.00 15.59 O ATOM 1556 CB PRO A 205 10.226 -6.232 9.817 1.00 11.83 C ATOM 1557 CG PRO A 205 9.411 -7.476 10.082 1.00 16.93 C ATOM 1558 CD PRO A 205 10.183 -8.639 9.497 1.00 15.38 C ATOM 0 HA PRO A 205 12.149 -6.244 8.931 1.00 10.86 H new ATOM 0 HB2 PRO A 205 10.157 -5.608 10.556 1.00 11.83 H new ATOM 0 HB3 PRO A 205 9.908 -5.771 9.025 1.00 11.83 H new ATOM 0 HG2 PRO A 205 9.272 -7.600 11.034 1.00 16.93 H new ATOM 0 HG3 PRO A 205 8.534 -7.406 9.674 1.00 16.93 H new ATOM 0 HD2 PRO A 205 10.183 -9.402 10.096 1.00 15.38 H new ATOM 0 HD3 PRO A 205 9.795 -8.937 8.659 1.00 15.38 H new ATOM 1559 N MET A 206 13.259 -5.371 10.880 1.00 13.84 N ATOM 1560 CA MET A 206 14.022 -4.899 12.039 1.00 12.49 C ATOM 1561 C MET A 206 13.422 -3.550 12.376 1.00 18.21 C ATOM 1562 O MET A 206 13.382 -2.614 11.555 1.00 15.28 O ATOM 1563 CB MET A 206 15.512 -4.777 11.749 1.00 13.16 C ATOM 1564 CG MET A 206 16.118 -6.083 11.256 1.00 18.91 C ATOM 1565 SD MET A 206 17.795 -5.808 10.613 1.00 22.15 S ATOM 1566 CE MET A 206 18.271 -7.497 10.178 1.00 25.50 C ATOM 0 H MET A 206 13.394 -4.910 10.167 1.00 13.84 H new ATOM 0 HA MET A 206 13.962 -5.528 12.775 1.00 12.49 H new ATOM 0 HB2 MET A 206 15.653 -4.086 11.083 1.00 13.16 H new ATOM 0 HB3 MET A 206 15.973 -4.493 12.554 1.00 13.16 H new ATOM 0 HG2 MET A 206 16.146 -6.726 11.981 1.00 18.91 H new ATOM 0 HG3 MET A 206 15.558 -6.463 10.561 1.00 18.91 H new ATOM 0 HE1 MET A 206 19.170 -7.496 9.813 1.00 25.50 H new ATOM 0 HE2 MET A 206 18.245 -8.055 10.971 1.00 25.50 H new ATOM 0 HE3 MET A 206 17.654 -7.847 9.517 1.00 25.50 H new ATOM 1567 N VAL A 207 12.933 -3.450 13.600 1.00 13.85 N ATOM 1568 CA VAL A 207 12.274 -2.241 14.037 1.00 13.03 C ATOM 1569 C VAL A 207 12.978 -1.648 15.241 1.00 17.44 C ATOM 1570 O VAL A 207 13.333 -2.385 16.175 1.00 14.16 O ATOM 1571 CB VAL A 207 10.835 -2.582 14.421 1.00 15.47 C ATOM 1572 CG1 VAL A 207 10.074 -1.311 14.816 1.00 16.66 C ATOM 1573 CG2 VAL A 207 10.156 -3.301 13.252 1.00 15.54 C ATOM 0 H VAL A 207 12.974 -4.073 14.192 1.00 13.85 H new ATOM 0 HA VAL A 207 12.294 -1.592 13.316 1.00 13.03 H new ATOM 0 HB VAL A 207 10.833 -3.174 15.190 1.00 15.47 H new ATOM 0 HG11 VAL A 207 9.163 -1.541 15.057 1.00 16.66 H new ATOM 0 HG12 VAL A 207 10.513 -0.893 15.573 1.00 16.66 H new ATOM 0 HG13 VAL A 207 10.064 -0.694 14.068 1.00 16.66 H new ATOM 0 HG21 VAL A 207 9.242 -3.519 13.493 1.00 15.54 H new ATOM 0 HG22 VAL A 207 10.156 -2.723 12.473 1.00 15.54 H new ATOM 0 HG23 VAL A 207 10.640 -4.117 13.049 1.00 15.54 H new ATOM 1574 N ASN A 208 13.142 -0.327 15.179 1.00 12.93 N ATOM 1575 CA ASN A 208 13.783 0.406 16.235 1.00 12.62 C ATOM 1576 C ASN A 208 12.795 1.219 17.043 1.00 16.29 C ATOM 1577 O ASN A 208 11.885 1.838 16.475 1.00 14.52 O ATOM 1578 CB ASN A 208 14.772 1.401 15.657 1.00 15.51 C ATOM 1579 CG ASN A 208 15.942 0.743 15.000 1.00 20.60 C ATOM 1580 OD1 ASN A 208 16.166 -0.495 15.066 1.00 16.41 O ATOM 1581 ND2 ASN A 208 16.686 1.612 14.348 1.00 18.25 N ATOM 0 H ASN A 208 12.881 0.158 14.519 1.00 12.93 H new ATOM 0 HA ASN A 208 14.216 -0.255 16.798 1.00 12.62 H new ATOM 0 HB2 ASN A 208 14.318 1.963 15.010 1.00 15.51 H new ATOM 0 HB3 ASN A 208 15.090 1.983 16.365 1.00 15.51 H new ATOM 0 HD21 ASN A 208 17.386 1.347 13.924 1.00 18.25 H new ATOM 0 HD22 ASN A 208 16.472 2.445 14.346 1.00 18.25 H new ATOM 1582 N ALA A 209 13.022 1.241 18.380 1.00 15.53 N ATOM 1583 CA ALA A 209 12.192 2.025 19.259 1.00 16.36 C ATOM 1584 C ALA A 209 12.425 3.497 18.956 1.00 19.16 C ATOM 1585 O ALA A 209 11.514 4.289 19.042 1.00 20.04 O ATOM 1586 CB ALA A 209 12.510 1.749 20.713 1.00 18.78 C ATOM 0 H ALA A 209 13.651 0.805 18.772 1.00 15.53 H new ATOM 0 HA ALA A 209 11.264 1.786 19.110 1.00 16.36 H new ATOM 0 HB1 ALA A 209 11.937 2.290 21.278 1.00 18.78 H new ATOM 0 HB2 ALA A 209 12.359 0.810 20.905 1.00 18.78 H new ATOM 0 HB3 ALA A 209 13.438 1.970 20.889 1.00 18.78 H new ATOM 1587 N GLY A 210 13.653 3.837 18.586 1.00 15.21 N ATOM 1588 CA GLY A 210 14.015 5.204 18.288 1.00 15.60 C ATOM 1589 C GLY A 210 14.007 5.508 16.795 1.00 23.29 C ATOM 1590 O GLY A 210 13.053 5.200 16.086 1.00 19.86 O ATOM 0 H GLY A 210 14.299 3.275 18.502 1.00 15.21 H new ATOM 0 HA2 GLY A 210 13.399 5.802 18.738 1.00 15.60 H new ATOM 0 HA3 GLY A 210 14.898 5.385 18.645 1.00 15.60 H new ATOM 1591 N LYS A 211 15.089 6.137 16.342 1.00 18.32 N ATOM 1592 CA LYS A 211 15.278 6.562 14.968 1.00 16.78 C ATOM 1593 C LYS A 211 15.797 5.406 14.129 1.00 24.52 C ATOM 1594 O LYS A 211 16.321 4.406 14.639 1.00 24.43 O ATOM 1595 CB LYS A 211 16.175 7.798 14.855 1.00 22.60 C ATOM 1596 CG LYS A 211 15.510 9.075 15.362 1.00 23.89 C ATOM 1597 CD LYS A 211 15.746 9.348 16.835 1.00 79.47 C ATOM 0 H LYS A 211 15.755 6.333 16.849 1.00 18.32 H new ATOM 0 HA LYS A 211 14.413 6.829 14.619 1.00 16.78 H new ATOM 0 HB2 LYS A 211 16.991 7.645 15.357 1.00 22.60 H new ATOM 0 HB3 LYS A 211 16.431 7.920 13.927 1.00 22.60 H new ATOM 0 HG2 LYS A 211 15.839 9.827 14.846 1.00 23.89 H new ATOM 0 HG3 LYS A 211 14.555 9.017 15.202 1.00 23.89 H new ATOM 1598 N LYS A 212 15.642 5.546 12.822 1.00 16.54 N ATOM 1599 CA LYS A 212 16.007 4.456 11.946 1.00 16.02 C ATOM 1600 C LYS A 212 17.491 4.184 11.749 1.00 25.23 C ATOM 1601 O LYS A 212 17.877 3.075 11.350 1.00 19.40 O ATOM 1602 CB LYS A 212 15.312 4.641 10.599 1.00 16.64 C ATOM 1603 CG LYS A 212 15.802 5.887 9.858 1.00 20.72 C ATOM 1604 CD LYS A 212 15.194 6.031 8.475 1.00 25.57 C ATOM 1605 CE LYS A 212 15.729 7.240 7.745 1.00 43.53 C ATOM 1606 NZ LYS A 212 17.152 7.445 8.003 1.00 56.94 N ATOM 0 H LYS A 212 15.334 6.248 12.432 1.00 16.54 H new ATOM 0 HA LYS A 212 15.701 3.660 12.409 1.00 16.02 H new ATOM 0 HB2 LYS A 212 15.466 3.858 10.048 1.00 16.64 H new ATOM 0 HB3 LYS A 212 14.354 4.706 10.738 1.00 16.64 H new ATOM 0 HG2 LYS A 212 15.589 6.674 10.383 1.00 20.72 H new ATOM 0 HG3 LYS A 212 16.768 5.851 9.779 1.00 20.72 H new ATOM 0 HD2 LYS A 212 15.380 5.233 7.956 1.00 25.57 H new ATOM 0 HD3 LYS A 212 14.230 6.101 8.552 1.00 25.57 H new ATOM 0 HE2 LYS A 212 15.586 7.132 6.792 1.00 43.53 H new ATOM 0 HE3 LYS A 212 15.234 8.028 8.019 1.00 43.53 H new ATOM 0 HZ1 LYS A 212 17.480 8.026 7.414 1.00 56.94 H new ATOM 0 HZ2 LYS A 212 17.262 7.764 8.827 1.00 56.94 H new ATOM 0 HZ3 LYS A 212 17.583 6.670 7.925 1.00 56.94 H new ATOM 1607 N GLU A 213 18.317 5.198 11.967 1.00 23.08 N ATOM 1608 CA GLU A 213 19.745 5.077 11.686 1.00 25.91 C ATOM 1609 C GLU A 213 20.518 3.990 12.386 1.00 19.17 C ATOM 1610 O GLU A 213 20.325 3.760 13.553 1.00 21.71 O ATOM 1611 CB GLU A 213 20.472 6.431 11.669 1.00 27.79 C ATOM 1612 CG GLU A 213 19.933 7.362 10.545 1.00 30.56 C ATOM 1613 CD GLU A 213 18.667 8.097 10.907 1.00 29.68 C ATOM 1614 OE1 GLU A 213 18.334 8.306 12.061 1.00 40.67 O ATOM 1615 OE2 GLU A 213 17.971 8.499 9.863 1.00 42.41 O ATOM 0 H GLU A 213 18.074 5.963 12.276 1.00 23.08 H new ATOM 0 HA GLU A 213 19.733 4.736 10.778 1.00 25.91 H new ATOM 0 HB2 GLU A 213 20.365 6.867 12.529 1.00 27.79 H new ATOM 0 HB3 GLU A 213 21.423 6.286 11.541 1.00 27.79 H new ATOM 0 HG2 GLU A 213 20.618 8.010 10.319 1.00 30.56 H new ATOM 0 HG3 GLU A 213 19.771 6.832 9.749 1.00 30.56 H new ATOM 1616 N ILE A 214 21.392 3.320 11.650 1.00 15.06 N ATOM 1617 CA ILE A 214 22.166 2.274 12.267 1.00 13.11 C ATOM 1618 C ILE A 214 23.631 2.515 12.024 1.00 23.60 C ATOM 1619 O ILE A 214 24.024 3.378 11.225 1.00 23.10 O ATOM 1620 CB ILE A 214 21.743 0.897 11.757 1.00 16.95 C ATOM 1621 CG1 ILE A 214 21.848 0.891 10.228 1.00 25.67 C ATOM 1622 CG2 ILE A 214 20.297 0.670 12.137 1.00 15.23 C ATOM 1623 CD1 ILE A 214 21.820 -0.501 9.604 1.00 22.79 C ATOM 0 H ILE A 214 21.545 3.454 10.815 1.00 15.06 H new ATOM 0 HA ILE A 214 22.001 2.289 13.223 1.00 13.11 H new ATOM 0 HB ILE A 214 22.308 0.207 12.138 1.00 16.95 H new ATOM 0 HG12 ILE A 214 21.117 1.413 9.862 1.00 25.67 H new ATOM 0 HG13 ILE A 214 22.671 1.334 9.969 1.00 25.67 H new ATOM 0 HG21 ILE A 214 20.012 -0.201 11.820 1.00 15.23 H new ATOM 0 HG22 ILE A 214 20.206 0.708 13.102 1.00 15.23 H new ATOM 0 HG23 ILE A 214 19.744 1.357 11.733 1.00 15.23 H new ATOM 0 HD11 ILE A 214 21.890 -0.425 8.640 1.00 22.79 H new ATOM 0 HD12 ILE A 214 22.565 -1.022 9.942 1.00 22.79 H new ATOM 0 HD13 ILE A 214 20.987 -0.942 9.833 1.00 22.79 H new ATOM 1624 N ARG A 215 24.437 1.741 12.736 1.00 22.31 N ATOM 1625 CA ARG A 215 25.885 1.806 12.617 1.00 23.68 C ATOM 1626 C ARG A 215 26.540 0.435 12.830 1.00 30.60 C ATOM 1627 O ARG A 215 26.194 -0.307 13.778 1.00 24.34 O ATOM 1628 CB ARG A 215 26.509 2.867 13.529 1.00 27.13 C ATOM 0 H ARG A 215 24.158 1.160 13.305 1.00 22.31 H new ATOM 0 HA ARG A 215 26.066 2.081 11.704 1.00 23.68 H new ATOM 1629 N THR A 216 27.507 0.124 11.934 1.00 22.50 N ATOM 1630 CA THR A 216 28.281 -1.100 12.010 1.00 17.77 C ATOM 1631 C THR A 216 29.467 -0.910 12.930 1.00 21.39 C ATOM 1632 O THR A 216 30.205 0.062 12.826 1.00 27.18 O ATOM 1633 CB THR A 216 28.734 -1.622 10.655 1.00 27.98 C ATOM 1634 OG1 THR A 216 27.594 -1.853 9.847 1.00 30.87 O ATOM 1635 CG2 THR A 216 29.473 -2.930 10.913 1.00 28.52 C ATOM 0 H THR A 216 27.719 0.630 11.271 1.00 22.50 H new ATOM 0 HA THR A 216 27.689 -1.777 12.372 1.00 17.77 H new ATOM 0 HB THR A 216 29.310 -0.990 10.198 1.00 27.98 H new ATOM 0 HG1 THR A 216 27.836 -2.140 9.096 1.00 30.87 H new ATOM 0 HG21 THR A 216 29.781 -3.299 10.071 1.00 28.52 H new ATOM 0 HG22 THR A 216 30.235 -2.763 11.490 1.00 28.52 H new ATOM 0 HG23 THR A 216 28.874 -3.561 11.343 1.00 28.52 H new ATOM 1636 N MET A 217 29.623 -1.829 13.850 1.00 20.32 N ATOM 1637 CA MET A 217 30.680 -1.778 14.847 1.00 23.15 C ATOM 1638 C MET A 217 32.033 -2.147 14.268 1.00 34.27 C ATOM 1639 O MET A 217 32.075 -2.668 13.157 1.00 32.60 O ATOM 1640 CB MET A 217 30.324 -2.699 16.025 1.00 25.57 C ATOM 1641 CG MET A 217 29.066 -2.262 16.789 1.00 26.98 C ATOM 1642 SD MET A 217 29.202 -0.595 17.502 1.00 34.94 S ATOM 1643 CE MET A 217 28.591 0.474 16.171 1.00 27.13 C ATOM 0 H MET A 217 29.112 -2.517 13.921 1.00 20.32 H new ATOM 0 HA MET A 217 30.750 -0.863 15.161 1.00 23.15 H new ATOM 0 HB2 MET A 217 30.194 -3.601 15.693 1.00 25.57 H new ATOM 0 HB3 MET A 217 31.073 -2.728 16.641 1.00 25.57 H new ATOM 0 HG2 MET A 217 28.305 -2.289 16.189 1.00 26.98 H new ATOM 0 HG3 MET A 217 28.890 -2.898 17.500 1.00 26.98 H new ATOM 0 HE1 MET A 217 29.326 0.996 15.812 1.00 27.13 H new ATOM 0 HE2 MET A 217 28.208 -0.072 15.467 1.00 27.13 H new ATOM 0 HE3 MET A 217 27.912 1.071 16.521 1.00 27.13 H new ATOM 1644 N LYS A 218 33.122 -1.888 15.022 1.00 34.47 N ATOM 1645 CA LYS A 218 34.486 -2.168 14.557 1.00 39.20 C ATOM 1646 C LYS A 218 34.830 -3.642 14.393 1.00 47.80 C ATOM 1647 O LYS A 218 35.785 -3.982 13.689 1.00 54.14 O ATOM 1648 CB LYS A 218 35.580 -1.370 15.243 1.00 44.97 C ATOM 0 H LYS A 218 33.084 -1.547 15.811 1.00 34.47 H new ATOM 0 HA LYS A 218 34.462 -1.823 13.651 1.00 39.20 H new ATOM 1649 N ASP A 219 34.028 -4.507 15.025 1.00 35.89 N ATOM 1650 CA ASP A 219 34.214 -5.946 14.922 1.00 39.70 C ATOM 1651 C ASP A 219 33.855 -6.402 13.520 1.00 43.69 C ATOM 1652 O ASP A 219 34.141 -7.526 13.097 1.00 48.19 O ATOM 1653 CB ASP A 219 33.403 -6.750 15.966 1.00 46.32 C ATOM 1654 CG ASP A 219 31.899 -6.719 15.763 1.00 33.32 C ATOM 1655 OD1 ASP A 219 31.345 -6.293 14.749 1.00 33.97 O ATOM 1656 OD2 ASP A 219 31.275 -7.185 16.822 1.00 48.22 O ATOM 0 H ASP A 219 33.366 -4.271 15.521 1.00 35.89 H new ATOM 0 HA ASP A 219 35.149 -6.124 15.110 1.00 39.70 H new ATOM 0 HB2 ASP A 219 33.700 -7.673 15.947 1.00 46.32 H new ATOM 0 HB3 ASP A 219 33.605 -6.405 16.850 1.00 46.32 H new ATOM 1657 N GLY A 220 33.192 -5.496 12.822 1.00 34.91 N ATOM 1658 CA GLY A 220 32.796 -5.724 11.457 1.00 33.57 C ATOM 1659 C GLY A 220 31.583 -6.597 11.302 1.00 40.95 C ATOM 1660 O GLY A 220 31.293 -7.067 10.214 1.00 46.34 O ATOM 0 H GLY A 220 32.960 -4.729 13.133 1.00 34.91 H new ATOM 0 HA2 GLY A 220 32.622 -4.868 11.035 1.00 33.57 H new ATOM 0 HA3 GLY A 220 33.537 -6.130 10.980 1.00 33.57 H new ATOM 1661 N TRP A 221 30.849 -6.815 12.369 1.00 34.11 N ATOM 1662 CA TRP A 221 29.668 -7.642 12.225 1.00 29.35 C ATOM 1663 C TRP A 221 28.472 -7.006 12.908 1.00 29.09 C ATOM 1664 O TRP A 221 27.399 -6.808 12.323 1.00 28.23 O ATOM 1665 CB TRP A 221 29.888 -9.053 12.829 1.00 26.31 C ATOM 1666 CG TRP A 221 30.718 -9.947 11.946 1.00 26.56 C ATOM 1667 CD1 TRP A 221 32.020 -10.284 12.151 1.00 28.27 C ATOM 1668 CD2 TRP A 221 30.329 -10.587 10.733 1.00 23.49 C ATOM 1669 NE1 TRP A 221 32.463 -11.118 11.169 1.00 24.05 N ATOM 1670 CE2 TRP A 221 31.462 -11.303 10.272 1.00 23.90 C ATOM 1671 CE3 TRP A 221 29.149 -10.623 10.003 1.00 24.23 C ATOM 1672 CZ2 TRP A 221 31.439 -12.063 9.118 1.00 22.63 C ATOM 1673 CZ3 TRP A 221 29.131 -11.372 8.862 1.00 24.67 C ATOM 1674 CH2 TRP A 221 30.259 -12.090 8.436 1.00 24.02 C ATOM 0 H TRP A 221 31.004 -6.509 13.158 1.00 34.11 H new ATOM 0 HA TRP A 221 29.497 -7.723 11.274 1.00 29.35 H new ATOM 0 HB2 TRP A 221 30.322 -8.966 13.692 1.00 26.31 H new ATOM 0 HB3 TRP A 221 29.027 -9.471 12.985 1.00 26.31 H new ATOM 0 HD1 TRP A 221 32.537 -9.986 12.864 1.00 28.27 H new ATOM 0 HE1 TRP A 221 33.247 -11.469 11.125 1.00 24.05 H new ATOM 0 HE3 TRP A 221 28.396 -10.153 10.282 1.00 24.23 H new ATOM 0 HZ2 TRP A 221 32.187 -12.530 8.823 1.00 22.63 H new ATOM 0 HZ3 TRP A 221 28.352 -11.407 8.355 1.00 24.67 H new ATOM 0 HH2 TRP A 221 30.199 -12.602 7.662 1.00 24.02 H new ATOM 1675 N THR A 222 28.685 -6.708 14.171 1.00 22.60 N ATOM 1676 CA THR A 222 27.645 -6.127 14.990 1.00 26.09 C ATOM 1677 C THR A 222 27.069 -4.816 14.438 1.00 31.90 C ATOM 1678 O THR A 222 27.803 -3.904 14.044 1.00 32.69 O ATOM 1679 CB THR A 222 28.189 -5.963 16.410 1.00 28.54 C ATOM 1680 OG1 THR A 222 28.743 -7.207 16.787 1.00 29.90 O ATOM 1681 CG2 THR A 222 27.084 -5.557 17.392 1.00 20.28 C ATOM 0 H THR A 222 29.432 -6.835 14.578 1.00 22.60 H new ATOM 0 HA THR A 222 26.887 -6.733 14.988 1.00 26.09 H new ATOM 0 HB THR A 222 28.856 -5.259 16.431 1.00 28.54 H new ATOM 0 HG1 THR A 222 29.497 -7.084 17.137 1.00 29.90 H new ATOM 0 HG21 THR A 222 27.460 -5.461 18.281 1.00 20.28 H new ATOM 0 HG22 THR A 222 26.697 -4.713 17.113 1.00 20.28 H new ATOM 0 HG23 THR A 222 26.395 -6.240 17.405 1.00 20.28 H new ATOM 1682 N VAL A 223 25.731 -4.722 14.413 1.00 18.30 N ATOM 1683 CA VAL A 223 25.106 -3.514 13.958 1.00 16.42 C ATOM 1684 C VAL A 223 24.299 -3.009 15.129 1.00 21.93 C ATOM 1685 O VAL A 223 23.632 -3.806 15.785 1.00 21.59 O ATOM 1686 CB VAL A 223 24.194 -3.773 12.751 1.00 19.99 C ATOM 1687 CG1 VAL A 223 23.442 -2.505 12.390 1.00 20.27 C ATOM 1688 CG2 VAL A 223 24.991 -4.240 11.533 1.00 21.44 C ATOM 0 H VAL A 223 25.190 -5.346 14.655 1.00 18.30 H new ATOM 0 HA VAL A 223 25.768 -2.868 13.665 1.00 16.42 H new ATOM 0 HB VAL A 223 23.572 -4.474 13.000 1.00 19.99 H new ATOM 0 HG11 VAL A 223 22.868 -2.675 11.627 1.00 20.27 H new ATOM 0 HG12 VAL A 223 22.901 -2.223 13.144 1.00 20.27 H new ATOM 0 HG13 VAL A 223 24.076 -1.805 12.167 1.00 20.27 H new ATOM 0 HG21 VAL A 223 24.387 -4.394 10.790 1.00 21.44 H new ATOM 0 HG22 VAL A 223 25.637 -3.559 11.288 1.00 21.44 H new ATOM 0 HG23 VAL A 223 25.456 -5.064 11.747 1.00 21.44 H new ATOM 1689 N LYS A 224 24.377 -1.707 15.410 1.00 18.66 N ATOM 1690 CA LYS A 224 23.595 -1.140 16.521 1.00 17.38 C ATOM 1691 C LYS A 224 22.848 0.084 16.065 1.00 18.15 C ATOM 1692 O LYS A 224 23.180 0.682 15.046 1.00 20.05 O ATOM 1693 CB LYS A 224 24.495 -0.694 17.668 1.00 21.86 C ATOM 1694 CG LYS A 224 25.019 -1.844 18.517 1.00 28.13 C ATOM 1695 CD LYS A 224 26.320 -1.477 19.194 1.00 44.12 C ATOM 1696 CE LYS A 224 26.400 -1.831 20.670 1.00 51.34 C ATOM 1697 NZ LYS A 224 25.960 -0.721 21.532 1.00100.00 N ATOM 0 H LYS A 224 24.865 -1.142 14.982 1.00 18.66 H new ATOM 0 HA LYS A 224 22.990 -1.838 16.817 1.00 17.38 H new ATOM 0 HB2 LYS A 224 25.248 -0.201 17.305 1.00 21.86 H new ATOM 0 HB3 LYS A 224 24.002 -0.081 18.236 1.00 21.86 H new ATOM 0 HG2 LYS A 224 24.359 -2.081 19.187 1.00 28.13 H new ATOM 0 HG3 LYS A 224 25.151 -2.627 17.959 1.00 28.13 H new ATOM 0 HD2 LYS A 224 27.047 -1.920 18.729 1.00 44.12 H new ATOM 0 HD3 LYS A 224 26.461 -0.522 19.096 1.00 44.12 H new ATOM 0 HE2 LYS A 224 25.851 -2.611 20.844 1.00 51.34 H new ATOM 0 HE3 LYS A 224 27.313 -2.071 20.895 1.00 51.34 H new ATOM 0 HZ1 LYS A 224 26.662 -0.384 21.964 1.00100.00 H new ATOM 0 HZ2 LYS A 224 25.587 -0.086 21.032 1.00100.00 H new ATOM 0 HZ3 LYS A 224 25.365 -1.021 22.122 1.00100.00 H new ATOM 1698 N THR A 225 21.834 0.477 16.814 1.00 12.64 N ATOM 1699 CA THR A 225 21.112 1.668 16.438 1.00 11.83 C ATOM 1700 C THR A 225 22.019 2.862 16.697 1.00 22.72 C ATOM 1701 O THR A 225 22.808 2.836 17.643 1.00 18.81 O ATOM 1702 CB THR A 225 19.874 1.797 17.330 1.00 18.91 C ATOM 1703 OG1 THR A 225 20.273 1.765 18.688 1.00 17.18 O ATOM 1704 CG2 THR A 225 18.921 0.622 17.064 1.00 17.34 C ATOM 0 H THR A 225 21.556 0.080 17.524 1.00 12.64 H new ATOM 0 HA THR A 225 20.847 1.628 15.506 1.00 11.83 H new ATOM 0 HB THR A 225 19.423 2.633 17.135 1.00 18.91 H new ATOM 0 HG1 THR A 225 19.656 1.436 19.154 1.00 17.18 H new ATOM 0 HG21 THR A 225 18.138 0.706 17.630 1.00 17.34 H new ATOM 0 HG22 THR A 225 18.649 0.630 16.133 1.00 17.34 H new ATOM 0 HG23 THR A 225 19.374 -0.213 17.261 1.00 17.34 H new ATOM 1705 N LYS A 226 21.915 3.910 15.892 1.00 21.47 N ATOM 1706 CA LYS A 226 22.745 5.093 16.137 1.00 22.88 C ATOM 1707 C LYS A 226 22.365 5.817 17.421 1.00 25.91 C ATOM 1708 O LYS A 226 23.214 6.348 18.137 1.00 28.49 O ATOM 1709 CB LYS A 226 22.848 6.081 14.973 1.00 25.82 C ATOM 0 H LYS A 226 21.387 3.963 15.215 1.00 21.47 H new ATOM 0 HA LYS A 226 23.635 4.720 16.237 1.00 22.88 H new ATOM 1710 N ASP A 227 21.093 5.843 17.735 1.00 18.22 N ATOM 1711 CA ASP A 227 20.693 6.529 18.944 1.00 20.71 C ATOM 1712 C ASP A 227 20.638 5.649 20.174 1.00 21.34 C ATOM 1713 O ASP A 227 20.137 6.072 21.221 1.00 25.78 O ATOM 1714 CB ASP A 227 19.319 7.169 18.741 1.00 23.82 C ATOM 1715 CG ASP A 227 18.258 6.162 18.416 1.00 22.70 C ATOM 1716 OD1 ASP A 227 18.447 4.959 18.426 1.00 19.60 O ATOM 1717 OD2 ASP A 227 17.127 6.735 18.108 1.00 26.14 O ATOM 0 H ASP A 227 20.458 5.483 17.280 1.00 18.22 H new ATOM 0 HA ASP A 227 21.380 7.194 19.107 1.00 20.71 H new ATOM 0 HB2 ASP A 227 19.068 7.651 19.545 1.00 23.82 H new ATOM 0 HB3 ASP A 227 19.372 7.821 18.025 1.00 23.82 H new ATOM 1718 N ARG A 228 21.118 4.417 20.038 1.00 19.52 N ATOM 1719 CA ARG A 228 21.129 3.458 21.121 1.00 19.86 C ATOM 1720 C ARG A 228 19.744 3.029 21.623 1.00 20.22 C ATOM 1721 O ARG A 228 19.586 2.491 22.716 1.00 25.33 O ATOM 1722 CB ARG A 228 22.092 3.849 22.260 1.00 25.88 C ATOM 1723 CG ARG A 228 23.542 3.950 21.792 1.00 56.43 C ATOM 0 H ARG A 228 21.449 4.117 19.303 1.00 19.52 H new ATOM 0 HA ARG A 228 21.490 2.652 20.720 1.00 19.86 H new ATOM 0 HB2 ARG A 228 21.816 4.700 22.635 1.00 25.88 H new ATOM 0 HB3 ARG A 228 22.030 3.193 22.971 1.00 25.88 H new ATOM 1724 N SER A 229 18.711 3.230 20.827 1.00 18.67 N ATOM 1725 CA SER A 229 17.383 2.776 21.211 1.00 16.81 C ATOM 1726 C SER A 229 17.298 1.248 21.028 1.00 19.41 C ATOM 1727 O SER A 229 18.151 0.617 20.375 1.00 16.24 O ATOM 1728 CB SER A 229 16.309 3.482 20.373 1.00 17.84 C ATOM 1729 OG SER A 229 16.455 3.156 18.995 1.00 21.82 O ATOM 0 H SER A 229 18.753 3.624 20.064 1.00 18.67 H new ATOM 0 HA SER A 229 17.225 2.996 22.142 1.00 16.81 H new ATOM 0 HB2 SER A 229 15.427 3.220 20.681 1.00 17.84 H new ATOM 0 HB3 SER A 229 16.378 4.442 20.493 1.00 17.84 H new ATOM 0 HG SER A 229 17.052 3.639 18.654 1.00 21.82 H new ATOM 1730 N LEU A 230 16.259 0.623 21.585 1.00 16.40 N ATOM 1731 CA LEU A 230 16.110 -0.812 21.459 1.00 13.21 C ATOM 1732 C LEU A 230 15.718 -1.149 20.016 1.00 16.90 C ATOM 1733 O LEU A 230 15.058 -0.356 19.352 1.00 14.89 O ATOM 1734 CB LEU A 230 14.980 -1.351 22.375 1.00 12.66 C ATOM 1735 CG LEU A 230 15.237 -1.171 23.872 1.00 15.80 C ATOM 1736 CD1 LEU A 230 14.045 -1.684 24.674 1.00 18.68 C ATOM 1737 CD2 LEU A 230 16.482 -1.964 24.243 1.00 19.89 C ATOM 0 H LEU A 230 15.639 1.014 22.034 1.00 16.40 H new ATOM 0 HA LEU A 230 16.954 -1.218 21.712 1.00 13.21 H new ATOM 0 HB2 LEU A 230 14.151 -0.903 22.145 1.00 12.66 H new ATOM 0 HB3 LEU A 230 14.853 -2.295 22.191 1.00 12.66 H new ATOM 0 HG LEU A 230 15.364 -0.231 24.074 1.00 15.80 H new ATOM 0 HD11 LEU A 230 14.217 -1.566 25.621 1.00 18.68 H new ATOM 0 HD12 LEU A 230 13.250 -1.187 24.426 1.00 18.68 H new ATOM 0 HD13 LEU A 230 13.909 -2.626 24.486 1.00 18.68 H new ATOM 0 HD21 LEU A 230 16.661 -1.861 25.191 1.00 19.89 H new ATOM 0 HD22 LEU A 230 16.341 -2.902 24.041 1.00 19.89 H new ATOM 0 HD23 LEU A 230 17.239 -1.635 23.734 1.00 19.89 H new ATOM 1738 N SER A 231 16.096 -2.341 19.568 1.00 15.06 N ATOM 1739 CA SER A 231 15.740 -2.779 18.232 1.00 11.17 C ATOM 1740 C SER A 231 15.263 -4.206 18.306 1.00 12.07 C ATOM 1741 O SER A 231 15.825 -5.054 19.051 1.00 15.10 O ATOM 1742 CB SER A 231 16.936 -2.688 17.313 1.00 15.03 C ATOM 1743 OG SER A 231 16.539 -3.146 16.041 1.00 19.08 O ATOM 0 H SER A 231 16.557 -2.907 20.022 1.00 15.06 H new ATOM 0 HA SER A 231 15.039 -2.209 17.879 1.00 11.17 H new ATOM 0 HB2 SER A 231 17.255 -1.774 17.260 1.00 15.03 H new ATOM 0 HB3 SER A 231 17.668 -3.225 17.654 1.00 15.03 H new ATOM 0 HG SER A 231 16.365 -2.489 15.548 1.00 19.08 H new ATOM 1744 N ALA A 232 14.225 -4.511 17.529 1.00 10.83 N ATOM 1745 CA ALA A 232 13.707 -5.879 17.536 1.00 11.37 C ATOM 1746 C ALA A 232 13.493 -6.421 16.115 1.00 13.10 C ATOM 1747 O ALA A 232 13.327 -5.650 15.170 1.00 13.05 O ATOM 1748 CB ALA A 232 12.398 -5.968 18.330 1.00 11.67 C ATOM 0 H ALA A 232 13.818 -3.962 17.007 1.00 10.83 H new ATOM 0 HA ALA A 232 14.378 -6.430 17.969 1.00 11.37 H new ATOM 0 HB1 ALA A 232 12.075 -6.883 18.320 1.00 11.67 H new ATOM 0 HB2 ALA A 232 12.556 -5.691 19.246 1.00 11.67 H new ATOM 0 HB3 ALA A 232 11.734 -5.387 17.927 1.00 11.67 H new ATOM 1749 N GLN A 233 13.460 -7.745 16.022 1.00 12.39 N ATOM 1750 CA GLN A 233 13.278 -8.408 14.760 1.00 9.91 C ATOM 1751 C GLN A 233 12.659 -9.784 14.914 1.00 12.99 C ATOM 1752 O GLN A 233 12.886 -10.513 15.883 1.00 10.63 O ATOM 1753 CB GLN A 233 14.697 -8.563 14.153 1.00 7.86 C ATOM 1754 CG GLN A 233 14.641 -9.265 12.780 1.00 10.90 C ATOM 1755 CD GLN A 233 15.990 -9.474 12.133 1.00 17.25 C ATOM 1756 OE1 GLN A 233 16.034 -9.296 10.816 1.00 19.62 O flip ATOM 1757 NE2 GLN A 233 16.967 -9.874 12.784 1.00 12.49 N flip ATOM 0 H GLN A 233 13.543 -8.276 16.694 1.00 12.39 H new ATOM 0 HA GLN A 233 12.677 -7.890 14.202 1.00 9.91 H new ATOM 0 HB2 GLN A 233 15.108 -7.690 14.056 1.00 7.86 H new ATOM 0 HB3 GLN A 233 15.257 -9.074 14.758 1.00 7.86 H new ATOM 0 HG2 GLN A 233 14.208 -10.127 12.886 1.00 10.90 H new ATOM 0 HG3 GLN A 233 14.085 -8.740 12.183 1.00 10.90 H new ATOM 0 HE21 GLN A 233 16.903 -9.978 13.635 1.00 12.49 H new ATOM 0 HE22 GLN A 233 17.708 -10.047 12.384 1.00 12.49 H new ATOM 1758 N TYR A 234 11.852 -10.156 13.922 1.00 11.47 N ATOM 1759 CA TYR A 234 11.297 -11.513 13.877 1.00 11.10 C ATOM 1760 C TYR A 234 11.428 -11.936 12.411 1.00 12.97 C ATOM 1761 O TYR A 234 11.330 -11.052 11.529 1.00 11.89 O ATOM 1762 CB TYR A 234 9.817 -11.637 14.257 1.00 14.71 C ATOM 1763 CG TYR A 234 9.502 -11.589 15.727 1.00 10.75 C ATOM 1764 CD1 TYR A 234 9.223 -12.765 16.425 1.00 11.36 C ATOM 1765 CD2 TYR A 234 9.416 -10.354 16.367 1.00 12.26 C ATOM 1766 CE1 TYR A 234 8.880 -12.704 17.776 1.00 11.41 C ATOM 1767 CE2 TYR A 234 9.092 -10.282 17.721 1.00 11.66 C ATOM 1768 CZ TYR A 234 8.837 -11.461 18.417 1.00 17.35 C ATOM 1769 OH TYR A 234 8.469 -11.371 19.742 1.00 16.09 O ATOM 0 H TYR A 234 11.614 -9.646 13.271 1.00 11.47 H new ATOM 0 HA TYR A 234 11.775 -12.055 14.524 1.00 11.10 H new ATOM 0 HB2 TYR A 234 9.329 -10.924 13.817 1.00 14.71 H new ATOM 0 HB3 TYR A 234 9.480 -12.474 13.900 1.00 14.71 H new ATOM 0 HD1 TYR A 234 9.266 -13.586 15.991 1.00 11.36 H new ATOM 0 HD2 TYR A 234 9.576 -9.573 15.888 1.00 12.26 H new ATOM 0 HE1 TYR A 234 8.682 -13.482 18.246 1.00 11.41 H new ATOM 0 HE2 TYR A 234 9.047 -9.460 18.153 1.00 11.66 H new ATOM 0 HH TYR A 234 8.343 -12.142 20.051 1.00 16.09 H new ATOM 1770 N GLU A 235 11.584 -13.244 12.185 1.00 8.91 N ATOM 1771 CA GLU A 235 11.755 -13.725 10.839 1.00 7.79 C ATOM 1772 C GLU A 235 11.119 -15.067 10.579 1.00 10.85 C ATOM 1773 O GLU A 235 11.171 -15.990 11.399 1.00 9.73 O ATOM 1774 CB GLU A 235 13.293 -13.849 10.537 1.00 6.68 C ATOM 1775 CG GLU A 235 13.607 -14.626 9.227 1.00 13.32 C ATOM 1776 CD GLU A 235 15.057 -14.623 8.786 1.00 20.98 C ATOM 1777 OE1 GLU A 235 15.383 -14.651 7.619 1.00 14.08 O ATOM 1778 OE2 GLU A 235 15.921 -14.615 9.768 1.00 13.65 O ATOM 0 H GLU A 235 11.592 -13.850 12.795 1.00 8.91 H new ATOM 0 HA GLU A 235 11.312 -13.083 10.262 1.00 7.79 H new ATOM 0 HB2 GLU A 235 13.676 -12.960 10.477 1.00 6.68 H new ATOM 0 HB3 GLU A 235 13.727 -14.295 11.281 1.00 6.68 H new ATOM 0 HG2 GLU A 235 13.324 -15.547 9.342 1.00 13.32 H new ATOM 0 HG3 GLU A 235 13.069 -14.251 8.512 1.00 13.32 H new ATOM 1779 N HIS A 236 10.502 -15.198 9.387 1.00 8.03 N ATOM 1780 CA HIS A 236 9.980 -16.498 9.003 1.00 5.78 C ATOM 1781 C HIS A 236 10.371 -16.732 7.520 1.00 9.85 C ATOM 1782 O HIS A 236 10.546 -15.764 6.771 1.00 12.09 O ATOM 1783 CB HIS A 236 8.437 -16.642 9.107 1.00 8.42 C ATOM 1784 CG HIS A 236 7.951 -17.080 10.447 1.00 11.86 C ATOM 1785 ND1 HIS A 236 8.441 -18.214 11.049 1.00 12.81 N ATOM 1786 CD2 HIS A 236 6.976 -16.541 11.247 1.00 13.18 C ATOM 1787 CE1 HIS A 236 7.781 -18.330 12.223 1.00 15.52 C ATOM 1788 NE2 HIS A 236 6.896 -17.349 12.366 1.00 13.11 N ATOM 0 H HIS A 236 10.385 -14.566 8.816 1.00 8.03 H new ATOM 0 HA HIS A 236 10.358 -17.143 9.621 1.00 5.78 H new ATOM 0 HB2 HIS A 236 8.028 -15.790 8.889 1.00 8.42 H new ATOM 0 HB3 HIS A 236 8.137 -17.280 8.441 1.00 8.42 H new ATOM 0 HD2 HIS A 236 6.469 -15.782 11.071 1.00 13.18 H new ATOM 0 HE1 HIS A 236 7.927 -19.005 12.846 1.00 15.52 H new ATOM 0 HE2 HIS A 236 6.368 -17.237 13.035 1.00 13.11 H new ATOM 1789 N THR A 237 10.504 -18.004 7.135 1.00 10.00 N ATOM 1790 CA THR A 237 10.765 -18.428 5.734 1.00 11.92 C ATOM 1791 C THR A 237 9.409 -18.918 5.168 1.00 13.53 C ATOM 1792 O THR A 237 8.691 -19.707 5.798 1.00 13.00 O ATOM 1793 CB THR A 237 11.769 -19.589 5.677 1.00 13.85 C ATOM 1794 OG1 THR A 237 13.064 -19.118 6.079 1.00 13.61 O ATOM 1795 CG2 THR A 237 11.830 -20.101 4.225 1.00 10.41 C ATOM 0 H THR A 237 10.446 -18.664 7.684 1.00 10.00 H new ATOM 0 HA THR A 237 11.138 -17.689 5.228 1.00 11.92 H new ATOM 0 HB THR A 237 11.495 -20.304 6.272 1.00 13.85 H new ATOM 0 HG1 THR A 237 13.052 -18.928 6.897 1.00 13.61 H new ATOM 0 HG21 THR A 237 12.460 -20.836 4.167 1.00 10.41 H new ATOM 0 HG22 THR A 237 10.951 -20.407 3.952 1.00 10.41 H new ATOM 0 HG23 THR A 237 12.118 -19.383 3.640 1.00 10.41 H new ATOM 1796 N ILE A 238 9.026 -18.461 3.989 1.00 12.35 N ATOM 1797 CA ILE A 238 7.718 -18.910 3.472 1.00 10.80 C ATOM 1798 C ILE A 238 7.834 -19.365 2.020 1.00 15.86 C ATOM 1799 O ILE A 238 8.846 -19.124 1.353 1.00 14.23 O ATOM 1800 CB ILE A 238 6.717 -17.744 3.474 1.00 12.17 C ATOM 1801 CG1 ILE A 238 7.244 -16.652 2.551 1.00 18.84 C ATOM 1802 CG2 ILE A 238 6.545 -17.104 4.863 1.00 11.61 C ATOM 1803 CD1 ILE A 238 6.263 -15.503 2.341 1.00 30.22 C ATOM 0 H ILE A 238 9.469 -17.921 3.487 1.00 12.35 H new ATOM 0 HA ILE A 238 7.423 -19.637 4.042 1.00 10.80 H new ATOM 0 HB ILE A 238 5.863 -18.105 3.189 1.00 12.17 H new ATOM 0 HG12 ILE A 238 8.070 -16.299 2.918 1.00 18.84 H new ATOM 0 HG13 ILE A 238 7.461 -17.043 1.690 1.00 18.84 H new ATOM 0 HG21 ILE A 238 5.905 -16.377 4.808 1.00 11.61 H new ATOM 0 HG22 ILE A 238 6.222 -17.771 5.489 1.00 11.61 H new ATOM 0 HG23 ILE A 238 7.399 -16.760 5.169 1.00 11.61 H new ATOM 0 HD11 ILE A 238 6.657 -14.845 1.747 1.00 30.22 H new ATOM 0 HD12 ILE A 238 5.444 -15.844 1.948 1.00 30.22 H new ATOM 0 HD13 ILE A 238 6.063 -15.088 3.195 1.00 30.22 H new ATOM 1804 N VAL A 239 6.783 -20.017 1.565 1.00 13.68 N ATOM 1805 CA VAL A 239 6.649 -20.436 0.180 1.00 11.92 C ATOM 1806 C VAL A 239 5.331 -19.837 -0.337 1.00 16.62 C ATOM 1807 O VAL A 239 4.287 -19.883 0.354 1.00 14.09 O ATOM 1808 CB VAL A 239 6.693 -21.939 -0.067 1.00 12.19 C ATOM 1809 CG1 VAL A 239 5.601 -22.678 0.709 1.00 11.86 C ATOM 1810 CG2 VAL A 239 6.483 -22.154 -1.565 1.00 11.66 C ATOM 0 H VAL A 239 6.113 -20.234 2.059 1.00 13.68 H new ATOM 0 HA VAL A 239 7.426 -20.110 -0.300 1.00 11.92 H new ATOM 0 HB VAL A 239 7.545 -22.290 0.234 1.00 12.19 H new ATOM 0 HG11 VAL A 239 5.661 -23.629 0.527 1.00 11.86 H new ATOM 0 HG12 VAL A 239 5.718 -22.523 1.659 1.00 11.86 H new ATOM 0 HG13 VAL A 239 4.730 -22.351 0.434 1.00 11.86 H new ATOM 0 HG21 VAL A 239 6.505 -23.104 -1.762 1.00 11.66 H new ATOM 0 HG22 VAL A 239 5.623 -21.789 -1.827 1.00 11.66 H new ATOM 0 HG23 VAL A 239 7.188 -21.706 -2.058 1.00 11.66 H new ATOM 1811 N VAL A 240 5.369 -19.232 -1.528 1.00 11.84 N ATOM 1812 CA VAL A 240 4.144 -18.668 -2.120 1.00 14.80 C ATOM 1813 C VAL A 240 3.351 -19.838 -2.716 1.00 19.96 C ATOM 1814 O VAL A 240 3.918 -20.640 -3.471 1.00 17.19 O ATOM 1815 CB VAL A 240 4.424 -17.657 -3.231 1.00 16.01 C ATOM 1816 CG1 VAL A 240 3.099 -17.117 -3.745 1.00 12.78 C ATOM 1817 CG2 VAL A 240 5.259 -16.482 -2.724 1.00 15.44 C ATOM 0 H VAL A 240 6.079 -19.137 -2.004 1.00 11.84 H new ATOM 0 HA VAL A 240 3.659 -18.197 -1.425 1.00 14.80 H new ATOM 0 HB VAL A 240 4.919 -18.107 -3.933 1.00 16.01 H new ATOM 0 HG11 VAL A 240 3.264 -16.473 -4.452 1.00 12.78 H new ATOM 0 HG12 VAL A 240 2.564 -17.848 -4.092 1.00 12.78 H new ATOM 0 HG13 VAL A 240 2.622 -16.685 -3.019 1.00 12.78 H new ATOM 0 HG21 VAL A 240 5.419 -15.860 -3.451 1.00 15.44 H new ATOM 0 HG22 VAL A 240 4.782 -16.029 -2.011 1.00 15.44 H new ATOM 0 HG23 VAL A 240 6.108 -16.809 -2.387 1.00 15.44 H new ATOM 1818 N THR A 241 2.067 -19.979 -2.343 1.00 12.70 N ATOM 1819 CA THR A 241 1.260 -21.077 -2.860 1.00 12.99 C ATOM 1820 C THR A 241 0.295 -20.555 -3.923 1.00 17.98 C ATOM 1821 O THR A 241 0.290 -19.375 -4.255 1.00 16.63 O ATOM 1822 CB THR A 241 0.438 -21.708 -1.719 1.00 19.06 C ATOM 1823 OG1 THR A 241 -0.534 -20.773 -1.274 1.00 15.32 O ATOM 1824 CG2 THR A 241 1.345 -22.182 -0.562 1.00 17.29 C ATOM 0 H THR A 241 1.657 -19.453 -1.799 1.00 12.70 H new ATOM 0 HA THR A 241 1.852 -21.741 -3.247 1.00 12.99 H new ATOM 0 HB THR A 241 -0.015 -22.498 -2.053 1.00 19.06 H new ATOM 0 HG1 THR A 241 -1.028 -21.135 -0.699 1.00 15.32 H new ATOM 0 HG21 THR A 241 0.799 -22.573 0.138 1.00 17.29 H new ATOM 0 HG22 THR A 241 1.971 -22.846 -0.892 1.00 17.29 H new ATOM 0 HG23 THR A 241 1.835 -21.425 -0.204 1.00 17.29 H new ATOM 1825 N ASP A 242 -0.563 -21.432 -4.424 1.00 16.94 N ATOM 1826 CA ASP A 242 -1.535 -21.029 -5.431 1.00 20.76 C ATOM 1827 C ASP A 242 -2.476 -19.960 -4.926 1.00 25.83 C ATOM 1828 O ASP A 242 -2.944 -19.146 -5.689 1.00 22.94 O ATOM 1829 CB ASP A 242 -2.411 -22.227 -5.879 1.00 26.93 C ATOM 1830 CG ASP A 242 -1.663 -23.210 -6.741 1.00 59.06 C ATOM 1831 OD1 ASP A 242 -1.787 -24.415 -6.644 1.00 71.04 O ATOM 1832 OD2 ASP A 242 -0.857 -22.633 -7.599 1.00 50.97 O ATOM 0 H ASP A 242 -0.600 -22.261 -4.197 1.00 16.94 H new ATOM 0 HA ASP A 242 -1.012 -20.685 -6.172 1.00 20.76 H new ATOM 0 HB2 ASP A 242 -2.750 -22.685 -5.094 1.00 26.93 H new ATOM 0 HB3 ASP A 242 -3.180 -21.895 -6.368 1.00 26.93 H new ATOM 1833 N ASN A 243 -2.818 -19.970 -3.636 1.00 18.43 N ATOM 1834 CA ASN A 243 -3.757 -18.976 -3.177 1.00 18.59 C ATOM 1835 C ASN A 243 -3.323 -18.264 -1.931 1.00 19.58 C ATOM 1836 O ASN A 243 -4.147 -17.721 -1.233 1.00 21.11 O ATOM 1837 CB ASN A 243 -5.086 -19.646 -2.894 1.00 18.51 C ATOM 1838 CG ASN A 243 -4.909 -20.598 -1.736 1.00 32.72 C ATOM 1839 OD1 ASN A 243 -5.522 -20.248 -0.612 1.00 45.48 O flip ATOM 1840 ND2 ASN A 243 -4.203 -21.611 -1.831 1.00 76.50 N flip ATOM 0 H ASN A 243 -2.528 -20.521 -3.042 1.00 18.43 H new ATOM 0 HA ASN A 243 -3.821 -18.314 -3.883 1.00 18.59 H new ATOM 0 HB2 ASN A 243 -5.760 -18.981 -2.683 1.00 18.51 H new ATOM 0 HB3 ASN A 243 -5.396 -20.125 -3.679 1.00 18.51 H new ATOM 0 HD21 ASN A 243 -3.823 -21.802 -2.579 1.00 76.50 H new ATOM 0 HD22 ASN A 243 -4.093 -22.124 -1.149 1.00 76.50 H new ATOM 1841 N GLY A 244 -2.040 -18.269 -1.642 1.00 18.12 N ATOM 1842 CA GLY A 244 -1.619 -17.579 -0.442 1.00 15.40 C ATOM 1843 C GLY A 244 -0.175 -17.923 -0.150 1.00 17.05 C ATOM 1844 O GLY A 244 0.702 -17.760 -1.004 1.00 14.48 O ATOM 0 H GLY A 244 -1.419 -18.647 -2.102 1.00 18.12 H new ATOM 0 HA2 GLY A 244 -1.718 -16.621 -0.556 1.00 15.40 H new ATOM 0 HA3 GLY A 244 -2.181 -17.836 0.306 1.00 15.40 H new ATOM 1845 N CYS A 245 0.060 -18.388 1.072 1.00 14.09 N ATOM 1846 CA CYS A 245 1.401 -18.781 1.430 1.00 13.55 C ATOM 1847 C CYS A 245 1.396 -19.855 2.498 1.00 19.58 C ATOM 1848 O CYS A 245 0.376 -20.121 3.144 1.00 17.98 O ATOM 1849 CB CYS A 245 2.321 -17.583 1.773 1.00 18.21 C ATOM 1850 SG CYS A 245 2.074 -16.952 3.469 1.00 22.14 S ATOM 0 H CYS A 245 -0.531 -18.480 1.690 1.00 14.09 H new ATOM 0 HA CYS A 245 1.797 -19.175 0.637 1.00 13.55 H new ATOM 0 HB2 CYS A 245 3.247 -17.852 1.666 1.00 18.21 H new ATOM 0 HB3 CYS A 245 2.159 -16.866 1.140 1.00 18.21 H new ATOM 0 HG CYS A 245 2.817 -16.030 3.666 1.00 22.14 H new ATOM 1851 N GLU A 246 2.562 -20.479 2.682 1.00 13.83 N ATOM 1852 CA GLU A 246 2.713 -21.459 3.719 1.00 11.95 C ATOM 1853 C GLU A 246 3.950 -21.056 4.507 1.00 14.81 C ATOM 1854 O GLU A 246 4.974 -20.729 3.925 1.00 12.82 O ATOM 1855 CB GLU A 246 2.815 -22.862 3.160 1.00 13.45 C ATOM 1856 CG GLU A 246 3.110 -23.907 4.240 1.00 20.51 C ATOM 1857 CD GLU A 246 3.309 -25.236 3.569 1.00 50.01 C ATOM 1858 OE1 GLU A 246 3.019 -25.448 2.402 1.00 26.90 O ATOM 1859 OE2 GLU A 246 3.858 -26.120 4.346 1.00 32.68 O ATOM 0 H GLU A 246 3.268 -20.340 2.211 1.00 13.83 H new ATOM 0 HA GLU A 246 1.934 -21.480 4.296 1.00 11.95 H new ATOM 0 HB2 GLU A 246 1.985 -23.089 2.713 1.00 13.45 H new ATOM 0 HB3 GLU A 246 3.515 -22.889 2.489 1.00 13.45 H new ATOM 0 HG2 GLU A 246 3.903 -23.660 4.742 1.00 20.51 H new ATOM 0 HG3 GLU A 246 2.377 -23.955 4.873 1.00 20.51 H new ATOM 1860 N ILE A 247 3.834 -21.030 5.823 1.00 12.25 N ATOM 1861 CA ILE A 247 4.965 -20.621 6.628 1.00 11.92 C ATOM 1862 C ILE A 247 5.750 -21.845 7.002 1.00 14.78 C ATOM 1863 O ILE A 247 5.261 -22.679 7.753 1.00 17.44 O ATOM 1864 CB ILE A 247 4.465 -19.898 7.868 1.00 15.33 C ATOM 1865 CG1 ILE A 247 3.676 -18.661 7.383 1.00 13.84 C ATOM 1866 CG2 ILE A 247 5.675 -19.477 8.747 1.00 16.10 C ATOM 1867 CD1 ILE A 247 2.606 -18.194 8.353 1.00 17.53 C ATOM 0 H ILE A 247 3.125 -21.241 6.261 1.00 12.25 H new ATOM 0 HA ILE A 247 5.538 -20.015 6.132 1.00 11.92 H new ATOM 0 HB ILE A 247 3.894 -20.468 8.407 1.00 15.33 H new ATOM 0 HG12 ILE A 247 4.298 -17.933 7.226 1.00 13.84 H new ATOM 0 HG13 ILE A 247 3.260 -18.867 6.531 1.00 13.84 H new ATOM 0 HG21 ILE A 247 5.355 -19.016 9.538 1.00 16.10 H new ATOM 0 HG22 ILE A 247 6.173 -20.266 9.012 1.00 16.10 H new ATOM 0 HG23 ILE A 247 6.253 -18.886 8.240 1.00 16.10 H new ATOM 0 HD11 ILE A 247 2.153 -17.418 7.987 1.00 17.53 H new ATOM 0 HD12 ILE A 247 1.963 -18.907 8.494 1.00 17.53 H new ATOM 0 HD13 ILE A 247 3.017 -17.958 9.199 1.00 17.53 H new ATOM 1868 N LEU A 248 6.980 -21.941 6.475 1.00 10.75 N ATOM 1869 CA LEU A 248 7.823 -23.107 6.703 1.00 12.05 C ATOM 1870 C LEU A 248 8.493 -23.204 8.093 1.00 15.59 C ATOM 1871 O LEU A 248 8.840 -24.288 8.569 1.00 15.48 O ATOM 1872 CB LEU A 248 8.877 -23.173 5.588 1.00 12.45 C ATOM 1873 CG LEU A 248 8.249 -23.214 4.179 1.00 15.12 C ATOM 1874 CD1 LEU A 248 9.348 -23.166 3.110 1.00 17.01 C ATOM 1875 CD2 LEU A 248 7.358 -24.455 4.036 1.00 12.85 C ATOM 0 H LEU A 248 7.339 -21.335 5.982 1.00 10.75 H new ATOM 0 HA LEU A 248 7.227 -23.872 6.685 1.00 12.05 H new ATOM 0 HB2 LEU A 248 9.462 -22.403 5.655 1.00 12.45 H new ATOM 0 HB3 LEU A 248 9.429 -23.961 5.715 1.00 12.45 H new ATOM 0 HG LEU A 248 7.686 -22.435 4.051 1.00 15.12 H new ATOM 0 HD11 LEU A 248 8.944 -23.192 2.229 1.00 17.01 H new ATOM 0 HD12 LEU A 248 9.858 -22.347 3.207 1.00 17.01 H new ATOM 0 HD13 LEU A 248 9.938 -23.929 3.218 1.00 17.01 H new ATOM 0 HD21 LEU A 248 6.968 -24.473 3.148 1.00 12.85 H new ATOM 0 HD22 LEU A 248 7.892 -25.254 4.170 1.00 12.85 H new ATOM 0 HD23 LEU A 248 6.651 -24.424 4.699 1.00 12.85 H new ATOM 1876 N THR A 249 8.665 -22.077 8.743 1.00 12.73 N ATOM 1877 CA THR A 249 9.347 -22.107 10.040 1.00 10.95 C ATOM 1878 C THR A 249 8.401 -21.828 11.213 1.00 12.51 C ATOM 1879 O THR A 249 8.791 -21.282 12.243 1.00 13.00 O ATOM 1880 CB THR A 249 10.434 -21.023 9.964 1.00 15.15 C ATOM 1881 OG1 THR A 249 9.845 -19.812 9.498 1.00 11.02 O ATOM 1882 CG2 THR A 249 11.588 -21.481 9.032 1.00 12.84 C ATOM 0 H THR A 249 8.409 -21.302 8.473 1.00 12.73 H new ATOM 0 HA THR A 249 9.712 -22.990 10.204 1.00 10.95 H new ATOM 0 HB THR A 249 10.812 -20.872 10.844 1.00 15.15 H new ATOM 0 HG1 THR A 249 9.617 -19.340 10.155 1.00 11.02 H new ATOM 0 HG21 THR A 249 12.267 -20.789 8.993 1.00 12.84 H new ATOM 0 HG22 THR A 249 11.980 -22.298 9.379 1.00 12.84 H new ATOM 0 HG23 THR A 249 11.240 -21.643 8.141 1.00 12.84 H new ATOM 1883 N LEU A 250 7.126 -22.177 11.080 1.00 10.12 N ATOM 1884 CA LEU A 250 6.197 -21.890 12.153 1.00 12.56 C ATOM 1885 C LEU A 250 6.534 -22.670 13.426 1.00 14.40 C ATOM 1886 O LEU A 250 6.930 -23.829 13.369 1.00 13.81 O ATOM 1887 CB LEU A 250 4.777 -22.298 11.685 1.00 16.72 C ATOM 1888 CG LEU A 250 3.624 -21.705 12.491 1.00 21.31 C ATOM 1889 CD1 LEU A 250 3.365 -20.256 12.094 1.00 20.46 C ATOM 1890 CD2 LEU A 250 2.382 -22.517 12.224 1.00 19.86 C ATOM 0 H LEU A 250 6.789 -22.571 10.393 1.00 10.12 H new ATOM 0 HA LEU A 250 6.250 -20.944 12.359 1.00 12.56 H new ATOM 0 HB2 LEU A 250 4.671 -22.035 10.757 1.00 16.72 H new ATOM 0 HB3 LEU A 250 4.709 -23.265 11.716 1.00 16.72 H new ATOM 0 HG LEU A 250 3.856 -21.728 13.432 1.00 21.31 H new ATOM 0 HD11 LEU A 250 2.630 -19.903 12.619 1.00 20.46 H new ATOM 0 HD12 LEU A 250 4.162 -19.728 12.258 1.00 20.46 H new ATOM 0 HD13 LEU A 250 3.138 -20.214 11.152 1.00 20.46 H new ATOM 0 HD21 LEU A 250 1.640 -22.151 12.731 1.00 19.86 H new ATOM 0 HD22 LEU A 250 2.173 -22.487 11.277 1.00 19.86 H new ATOM 0 HD23 LEU A 250 2.533 -23.437 12.492 1.00 19.86 H new ATOM 1891 N ARG A 251 6.354 -22.039 14.586 1.00 14.37 N ATOM 1892 CA ARG A 251 6.637 -22.708 15.868 1.00 14.55 C ATOM 1893 C ARG A 251 5.358 -22.876 16.641 1.00 18.02 C ATOM 1894 O ARG A 251 4.323 -22.275 16.284 1.00 15.43 O ATOM 1895 CB ARG A 251 7.456 -21.812 16.780 1.00 12.11 C ATOM 1896 CG ARG A 251 8.887 -21.536 16.357 1.00 15.45 C ATOM 1897 CD ARG A 251 9.597 -20.558 17.327 1.00 16.16 C ATOM 1898 NE ARG A 251 8.838 -19.321 17.626 1.00 11.84 N ATOM 1899 CZ ARG A 251 8.700 -18.215 16.873 1.00 16.38 C ATOM 1900 NH1 ARG A 251 9.272 -18.051 15.663 1.00 15.64 N ATOM 1901 NH2 ARG A 251 7.939 -17.223 17.337 1.00 14.35 N ATOM 0 H ARG A 251 6.071 -21.230 14.658 1.00 14.37 H new ATOM 0 HA ARG A 251 7.086 -23.540 15.650 1.00 14.55 H new ATOM 0 HB2 ARG A 251 6.995 -20.962 16.863 1.00 12.11 H new ATOM 0 HB3 ARG A 251 7.473 -22.213 17.663 1.00 12.11 H new ATOM 0 HG2 ARG A 251 9.380 -22.371 16.321 1.00 15.45 H new ATOM 0 HG3 ARG A 251 8.893 -21.164 15.461 1.00 15.45 H new ATOM 0 HD2 ARG A 251 9.777 -21.022 18.160 1.00 16.16 H new ATOM 0 HD3 ARG A 251 10.455 -20.312 16.948 1.00 16.16 H new ATOM 0 HE ARG A 251 8.431 -19.309 18.383 1.00 11.84 H new ATOM 0 HH11 ARG A 251 9.759 -18.676 15.330 1.00 15.64 H new ATOM 0 HH12 ARG A 251 9.149 -17.321 15.225 1.00 15.64 H new ATOM 0 HH21 ARG A 251 7.551 -17.300 18.101 1.00 14.35 H new ATOM 0 HH22 ARG A 251 7.836 -16.506 16.873 1.00 14.35 H new ATOM 1902 N LYS A 252 5.451 -23.616 17.755 1.00 15.62 N ATOM 1903 CA LYS A 252 4.288 -23.806 18.621 1.00 17.10 C ATOM 1904 C LYS A 252 3.729 -22.504 19.203 1.00 17.08 C ATOM 1905 O LYS A 252 2.554 -22.403 19.502 1.00 18.54 O ATOM 1906 CB LYS A 252 4.653 -24.740 19.778 1.00 24.61 C ATOM 1907 CG LYS A 252 5.296 -26.026 19.287 1.00 86.37 C ATOM 0 H LYS A 252 6.168 -24.009 18.020 1.00 15.62 H new ATOM 0 HA LYS A 252 3.596 -24.189 18.059 1.00 17.10 H new ATOM 0 HB2 LYS A 252 5.261 -24.285 20.381 1.00 24.61 H new ATOM 0 HB3 LYS A 252 3.855 -24.952 20.286 1.00 24.61 H new ATOM 1908 N ASP A 253 4.562 -21.484 19.405 1.00 11.88 N ATOM 1909 CA ASP A 253 4.128 -20.217 19.977 1.00 11.72 C ATOM 1910 C ASP A 253 3.657 -19.179 18.980 1.00 13.32 C ATOM 1911 O ASP A 253 3.236 -18.101 19.368 1.00 15.25 O ATOM 1912 CB ASP A 253 5.204 -19.606 20.894 1.00 14.93 C ATOM 1913 CG ASP A 253 6.516 -19.381 20.165 1.00 19.61 C ATOM 1914 OD1 ASP A 253 7.166 -20.267 19.645 1.00 21.35 O ATOM 1915 OD2 ASP A 253 6.875 -18.124 20.144 1.00 25.59 O ATOM 0 H ASP A 253 5.400 -21.511 19.212 1.00 11.88 H new ATOM 0 HA ASP A 253 3.346 -20.459 20.497 1.00 11.72 H new ATOM 0 HB2 ASP A 253 4.884 -18.762 21.248 1.00 14.93 H new ATOM 0 HB3 ASP A 253 5.353 -20.193 21.651 1.00 14.93 H new ATOM 1916 N ASP A 254 3.767 -19.476 17.682 1.00 13.08 N ATOM 1917 CA ASP A 254 3.277 -18.526 16.712 1.00 12.09 C ATOM 1918 C ASP A 254 1.765 -18.587 16.838 1.00 14.58 C ATOM 1919 O ASP A 254 1.218 -19.669 17.122 1.00 15.20 O ATOM 1920 CB ASP A 254 3.643 -18.943 15.265 1.00 12.20 C ATOM 1921 CG ASP A 254 4.944 -18.295 14.810 1.00 11.72 C ATOM 1922 OD1 ASP A 254 5.094 -17.103 14.646 1.00 11.57 O ATOM 1923 OD2 ASP A 254 5.871 -19.173 14.669 1.00 13.47 O ATOM 0 H ASP A 254 4.110 -20.196 17.361 1.00 13.08 H new ATOM 0 HA ASP A 254 3.658 -17.649 16.874 1.00 12.09 H new ATOM 0 HB2 ASP A 254 3.727 -19.908 15.216 1.00 12.20 H new ATOM 0 HB3 ASP A 254 2.926 -18.690 14.663 1.00 12.20 H new ATOM 1924 N THR A 255 1.127 -17.444 16.617 1.00 15.18 N ATOM 1925 CA THR A 255 -0.336 -17.400 16.712 1.00 17.10 C ATOM 1926 C THR A 255 -1.015 -17.142 15.369 1.00 30.75 C ATOM 1927 O THR A 255 -2.145 -16.687 15.301 1.00 35.26 O ATOM 1928 CB THR A 255 -0.762 -16.339 17.710 1.00 18.89 C ATOM 1929 OG1 THR A 255 -0.164 -15.139 17.279 1.00 22.35 O ATOM 1930 CG2 THR A 255 -0.233 -16.743 19.084 1.00 15.27 C ATOM 0 H THR A 255 1.506 -16.699 16.416 1.00 15.18 H new ATOM 0 HA THR A 255 -0.621 -18.277 17.012 1.00 17.10 H new ATOM 0 HB THR A 255 -1.725 -16.237 17.768 1.00 18.89 H new ATOM 0 HG1 THR A 255 -0.374 -14.517 17.803 1.00 22.35 H new ATOM 0 HG21 THR A 255 -0.494 -16.078 19.740 1.00 15.27 H new ATOM 0 HG22 THR A 255 -0.603 -17.604 19.333 1.00 15.27 H new ATOM 0 HG23 THR A 255 0.735 -16.804 19.053 1.00 15.27 H new ATOM 1931 N ILE A 256 -0.302 -17.417 14.296 1.00 16.24 N ATOM 1932 CA ILE A 256 -0.836 -17.268 12.955 1.00 16.33 C ATOM 1933 C ILE A 256 -0.897 -18.693 12.404 1.00 18.75 C ATOM 1934 O ILE A 256 -0.102 -19.555 12.780 1.00 16.01 O ATOM 1935 CB ILE A 256 0.076 -16.315 12.158 1.00 18.50 C ATOM 1936 CG1 ILE A 256 -0.540 -15.895 10.835 1.00 23.20 C ATOM 1937 CG2 ILE A 256 1.438 -16.954 11.920 1.00 17.27 C ATOM 1938 CD1 ILE A 256 0.014 -14.579 10.311 1.00 30.89 C ATOM 0 H ILE A 256 0.511 -17.697 14.322 1.00 16.24 H new ATOM 0 HA ILE A 256 -1.719 -16.869 12.910 1.00 16.33 H new ATOM 0 HB ILE A 256 0.185 -15.514 12.695 1.00 18.50 H new ATOM 0 HG12 ILE A 256 -0.385 -16.590 10.177 1.00 23.20 H new ATOM 0 HG13 ILE A 256 -1.501 -15.816 10.942 1.00 23.20 H new ATOM 0 HG21 ILE A 256 1.999 -16.343 11.418 1.00 17.27 H new ATOM 0 HG22 ILE A 256 1.857 -17.151 12.773 1.00 17.27 H new ATOM 0 HG23 ILE A 256 1.327 -17.776 11.418 1.00 17.27 H new ATOM 0 HD11 ILE A 256 -0.413 -14.361 9.468 1.00 30.89 H new ATOM 0 HD12 ILE A 256 -0.162 -13.875 10.954 1.00 30.89 H new ATOM 0 HD13 ILE A 256 0.971 -14.661 10.177 1.00 30.89 H new ATOM 1939 N PRO A 257 -1.858 -18.992 11.528 1.00 20.50 N ATOM 1940 CA PRO A 257 -1.936 -20.330 10.974 1.00 17.89 C ATOM 1941 C PRO A 257 -0.786 -20.546 9.986 1.00 15.53 C ATOM 1942 O PRO A 257 -0.269 -19.610 9.379 1.00 16.42 O ATOM 1943 CB PRO A 257 -3.320 -20.441 10.282 1.00 20.63 C ATOM 1944 CG PRO A 257 -4.088 -19.179 10.654 1.00 23.67 C ATOM 1945 CD PRO A 257 -3.083 -18.189 11.236 1.00 17.55 C ATOM 0 HA PRO A 257 -1.852 -21.014 11.657 1.00 17.89 H new ATOM 0 HB2 PRO A 257 -3.221 -20.514 9.320 1.00 20.63 H new ATOM 0 HB3 PRO A 257 -3.793 -21.234 10.580 1.00 20.63 H new ATOM 0 HG2 PRO A 257 -4.526 -18.803 9.874 1.00 23.67 H new ATOM 0 HG3 PRO A 257 -4.783 -19.380 11.300 1.00 23.67 H new ATOM 0 HD2 PRO A 257 -2.892 -17.475 10.608 1.00 17.55 H new ATOM 0 HD3 PRO A 257 -3.428 -17.773 12.041 1.00 17.55 H new ATOM 1946 N ALA A 258 -0.386 -21.801 9.850 1.00 15.40 N ATOM 1947 CA ALA A 258 0.709 -22.196 8.990 1.00 11.73 C ATOM 1948 C ALA A 258 0.372 -21.986 7.515 1.00 16.78 C ATOM 1949 O ALA A 258 1.239 -21.660 6.718 1.00 19.37 O ATOM 1950 CB ALA A 258 0.957 -23.670 9.214 1.00 15.76 C ATOM 0 H ALA A 258 -0.753 -22.459 10.265 1.00 15.40 H new ATOM 0 HA ALA A 258 1.486 -21.656 9.203 1.00 11.73 H new ATOM 0 HB1 ALA A 258 1.688 -23.965 8.649 1.00 15.76 H new ATOM 0 HB2 ALA A 258 1.186 -23.822 10.144 1.00 15.76 H new ATOM 0 HB3 ALA A 258 0.156 -24.170 8.993 1.00 15.76 H new ATOM 1951 N ILE A 259 -0.884 -22.203 7.174 1.00 14.26 N ATOM 1952 CA ILE A 259 -1.341 -22.032 5.797 1.00 15.78 C ATOM 1953 C ILE A 259 -2.328 -20.891 5.769 1.00 17.85 C ATOM 1954 O ILE A 259 -3.311 -20.886 6.516 1.00 18.21 O ATOM 1955 CB ILE A 259 -2.000 -23.295 5.215 1.00 20.57 C ATOM 1956 CG1 ILE A 259 -1.145 -24.572 5.279 1.00 24.01 C ATOM 1957 CG2 ILE A 259 -2.502 -23.031 3.802 1.00 21.50 C ATOM 1958 CD1 ILE A 259 0.042 -24.548 4.336 1.00 42.47 C ATOM 0 H ILE A 259 -1.496 -22.452 7.724 1.00 14.26 H new ATOM 0 HA ILE A 259 -0.564 -21.849 5.246 1.00 15.78 H new ATOM 0 HB ILE A 259 -2.752 -23.483 5.799 1.00 20.57 H new ATOM 0 HG12 ILE A 259 -0.826 -24.695 6.187 1.00 24.01 H new ATOM 0 HG13 ILE A 259 -1.702 -25.337 5.068 1.00 24.01 H new ATOM 0 HG21 ILE A 259 -2.914 -23.835 3.449 1.00 21.50 H new ATOM 0 HG22 ILE A 259 -3.155 -22.314 3.819 1.00 21.50 H new ATOM 0 HG23 ILE A 259 -1.757 -22.775 3.236 1.00 21.50 H new ATOM 0 HD11 ILE A 259 0.540 -25.376 4.421 1.00 42.47 H new ATOM 0 HD12 ILE A 259 -0.272 -24.453 3.423 1.00 42.47 H new ATOM 0 HD13 ILE A 259 0.618 -23.800 4.559 1.00 42.47 H new ATOM 1959 N ILE A 260 -2.036 -19.882 4.961 1.00 13.81 N ATOM 1960 CA ILE A 260 -2.915 -18.745 4.836 1.00 14.68 C ATOM 1961 C ILE A 260 -3.556 -18.800 3.445 1.00 23.11 C ATOM 1962 O ILE A 260 -2.854 -18.849 2.443 1.00 16.28 O ATOM 1963 CB ILE A 260 -2.191 -17.448 5.054 1.00 16.20 C ATOM 1964 CG1 ILE A 260 -1.637 -17.471 6.478 1.00 16.43 C ATOM 1965 CG2 ILE A 260 -3.155 -16.295 4.870 1.00 13.96 C ATOM 1966 CD1 ILE A 260 -0.522 -16.449 6.695 1.00 26.40 C ATOM 0 H ILE A 260 -1.327 -19.842 4.476 1.00 13.81 H new ATOM 0 HA ILE A 260 -3.599 -18.785 5.523 1.00 14.68 H new ATOM 0 HB ILE A 260 -1.467 -17.336 4.418 1.00 16.20 H new ATOM 0 HG12 ILE A 260 -2.357 -17.296 7.104 1.00 16.43 H new ATOM 0 HG13 ILE A 260 -1.299 -18.359 6.675 1.00 16.43 H new ATOM 0 HG21 ILE A 260 -2.688 -15.457 5.011 1.00 13.96 H new ATOM 0 HG22 ILE A 260 -3.517 -16.316 3.970 1.00 13.96 H new ATOM 0 HG23 ILE A 260 -3.879 -16.373 5.511 1.00 13.96 H new ATOM 0 HD11 ILE A 260 -0.206 -16.504 7.610 1.00 26.40 H new ATOM 0 HD12 ILE A 260 0.211 -16.636 6.089 1.00 26.40 H new ATOM 0 HD13 ILE A 260 -0.863 -15.557 6.524 1.00 26.40 H new ATOM 1967 N SER A 261 -4.880 -18.831 3.398 1.00 21.00 N ATOM 1968 CA SER A 261 -5.591 -18.960 2.130 1.00 21.00 C ATOM 1969 C SER A 261 -6.427 -17.767 1.798 1.00 20.11 C ATOM 1970 O SER A 261 -7.110 -17.239 2.638 1.00 20.93 O ATOM 1971 CB SER A 261 -6.564 -20.127 2.217 1.00 26.15 C ATOM 1972 OG SER A 261 -5.908 -21.334 1.906 1.00 61.25 O ATOM 0 H SER A 261 -5.389 -18.779 4.089 1.00 21.00 H new ATOM 0 HA SER A 261 -4.906 -19.076 1.453 1.00 21.00 H new ATOM 0 HB2 SER A 261 -6.940 -20.177 3.110 1.00 26.15 H new ATOM 0 HB3 SER A 261 -7.303 -19.986 1.605 1.00 26.15 H new ATOM 0 HG SER A 261 -5.642 -21.311 1.110 1.00 61.25 H new ATOM 1973 N HIS A 262 -6.403 -17.375 0.540 1.00 19.70 N ATOM 1974 CA HIS A 262 -7.216 -16.249 0.112 1.00 18.88 C ATOM 1975 C HIS A 262 -8.300 -16.721 -0.870 1.00 29.25 C ATOM 1976 O HIS A 262 -8.078 -17.615 -1.673 1.00 40.01 O ATOM 1977 CB HIS A 262 -6.378 -15.112 -0.493 1.00 21.17 C ATOM 1978 CG HIS A 262 -5.354 -14.570 0.446 1.00 21.56 C ATOM 1979 ND1 HIS A 262 -5.663 -13.549 1.316 1.00 26.44 N ATOM 1980 CD2 HIS A 262 -4.056 -14.925 0.630 1.00 20.82 C ATOM 1981 CE1 HIS A 262 -4.558 -13.304 2.021 1.00 25.30 C ATOM 1982 NE2 HIS A 262 -3.580 -14.110 1.626 1.00 22.43 N ATOM 0 H HIS A 262 -5.930 -17.740 -0.078 1.00 19.70 H new ATOM 0 HA HIS A 262 -7.644 -15.883 0.902 1.00 18.88 H new ATOM 0 HB2 HIS A 262 -5.935 -15.436 -1.293 1.00 21.17 H new ATOM 0 HB3 HIS A 262 -6.969 -14.393 -0.767 1.00 21.17 H new ATOM 0 HD2 HIS A 262 -3.586 -15.585 0.174 1.00 20.82 H new ATOM 0 HE1 HIS A 262 -4.483 -12.663 2.691 1.00 25.30 H new ATOM 0 HE2 HIS A 262 -2.780 -14.120 1.942 1.00 22.43 H new ATOM 1983 N ASP A 263 -9.469 -16.114 -0.821 1.00 33.27 N ATOM 1984 CA ASP A 263 -10.542 -16.517 -1.712 1.00 43.25 C ATOM 1985 C ASP A 263 -11.740 -15.589 -1.534 1.00100.00 C ATOM 1986 O ASP A 263 -12.571 -15.751 -0.636 1.00 85.96 O ATOM 1987 CB ASP A 263 -10.929 -17.976 -1.425 1.00 42.65 C ATOM 0 H ASP A 263 -9.664 -15.471 -0.284 1.00 33.27 H new ATOM 0 HA ASP A 263 -10.243 -16.453 -2.633 1.00 43.25 H new TER 1988 ASP A 263 HETATM 1989 CO CO A 401 17.074 -14.121 6.641 1.00 15.53 CO HETATM 1990 CO CO A 402 17.962 -15.177 9.727 1.00 15.11 CO HETATM 1991 NA NA A 501 17.937 -6.400 19.530 1.00 9.50 NA HETATM 1992 N MF3 A 300 20.220 -15.538 9.468 1.00 9.89 N HETATM 1993 CA MF3 A 300 20.545 -14.199 8.919 1.00 13.79 C HETATM 1994 C MF3 A 300 19.609 -13.765 7.815 1.00 20.58 C HETATM 1995 O MF3 A 300 18.410 -13.838 8.089 1.00 12.56 O HETATM 1996 CB MF3 A 300 21.979 -14.006 8.376 1.00 20.35 C HETATM 1997 CG MF3 A 300 23.086 -14.490 9.287 1.00 34.77 C HETATM 1998 SD MF3 A 300 24.648 -14.638 8.372 1.00 44.91 S HETATM 1999 CE MF3 A 300 25.752 -13.795 9.470 1.00 51.83 C HETATM 2000 OXT MF3 A 300 20.115 -13.290 6.772 1.00 15.69 O HETATM 2001 FZ1 MF3 A 300 25.323 -12.508 9.560 1.00 48.86 F HETATM 2002 FZ2 MF3 A 300 26.877 -13.520 8.759 1.00 54.73 F HETATM 2003 FZ3 MF3 A 300 25.783 -14.558 10.596 1.00 56.20 F HETATM 0 HG3 MF3 A 300 23.196 -13.872 10.027 1.00 34.77 H new HETATM 0 HG2 MF3 A 300 22.846 -15.349 9.668 1.00 34.77 H new HETATM 0 HB3 MF3 A 300 22.053 -14.470 7.527 1.00 20.35 H new HETATM 0 HB2 MF3 A 300 22.117 -13.063 8.197 1.00 20.35 H new HETATM 0 HA MF3 A 300 20.445 -13.651 9.713 1.00 13.79 H new HETATM 0 H2 MF3 A 300 20.698 -15.871 10.101 1.00 9.89 H new HETATM 0 H MF3 A 300 19.554 -15.982 9.153 1.00 9.89 H new HETATM 2004 O HOH A 502 9.467 -15.778 13.890 1.00 11.95 O HETATM 2005 O HOH A 503 10.612 -20.032 13.989 1.00 10.70 O HETATM 2006 O HOH A 504 15.975 -12.489 11.626 1.00 13.85 O HETATM 2007 O HOH A 505 20.362 -11.991 16.036 1.00 17.19 O HETATM 2008 O HOH A 506 21.132 -11.295 13.487 1.00 16.26 O HETATM 2009 O HOH A 507 15.273 -17.262 -5.599 1.00 35.82 O HETATM 2010 O HOH A 508 23.935 -17.113 -0.475 1.00 44.08 O HETATM 2011 O HOH A 509 7.857 -26.669 7.924 1.00 30.32 O HETATM 2012 O HOH A 510 7.700 -25.448 11.109 1.00 31.24 O HETATM 2013 O HOH A 511 13.115 -23.553 4.668 1.00 23.29 O HETATM 2014 O HOH A 512 10.752 -20.432 21.714 1.00 19.00 O HETATM 2015 O HOH A 513 6.986 -15.382 15.387 1.00 16.86 O HETATM 2016 O HOH A 514 10.175 -14.158 25.962 1.00 32.68 O HETATM 2017 O HOH A 515 26.764 -11.758 22.212 1.00 35.24 O HETATM 2018 O HOH A 516 29.764 -20.225 21.476 1.00 21.87 O HETATM 2019 O HOH A 517 29.312 -22.206 17.522 1.00 27.57 O HETATM 2020 O HOH A 518 17.644 -36.983 18.422 1.00 27.61 O HETATM 2021 O HOH A 519 25.677 -32.733 11.245 1.00 36.09 O HETATM 2022 O HOH A 520 26.952 -21.548 4.895 1.00 28.20 O HETATM 2023 O HOH A 521 25.125 -21.528 2.654 1.00 25.21 O HETATM 2024 O HOH A 522 18.243 -9.226 15.275 1.00 12.21 O HETATM 2025 O HOH A 523 16.500 -5.874 15.443 1.00 16.23 O HETATM 2026 O HOH A 524 16.904 -7.674 17.331 1.00 17.52 O HETATM 2027 O HOH A 525 15.826 -3.909 27.472 1.00 33.76 O HETATM 2028 O HOH A 526 12.959 -5.804 34.095 1.00 35.97 O HETATM 2029 O HOH A 527 -0.148 -1.127 7.132 1.00 26.15 O HETATM 2030 O HOH A 528 -1.269 -14.746 2.673 1.00 19.22 O HETATM 2031 O HOH A 529 -2.232 -21.416 0.739 1.00 23.31 O HETATM 2032 O HOH A 530 9.141 -4.752 -0.267 1.00 22.60 O HETATM 2033 O HOH A 531 9.454 -1.863 -1.122 1.00 19.21 O HETATM 2034 O HOH A 532 -2.076 -7.561 6.066 1.00 53.03 O HETATM 2035 O HOH A 533 10.451 6.338 16.480 1.00 30.31 O HETATM 2036 O HOH A 534 14.340 -4.101 8.264 1.00 23.12 O HETATM 2037 O HOH A 535 0.923 -6.742 -9.092 1.00 46.80 O HETATM 2038 O HOH A 536 17.373 -22.741 -4.528 1.00 27.89 O HETATM 2039 O HOH A 537 8.297 -21.991 21.372 1.00 36.59 O HETATM 2040 O HOH A 538 1.574 -22.543 16.151 1.00 27.64 O HETATM 2041 O HOH A 539 11.509 -33.286 16.016 1.00 22.78 O HETATM 2042 O HOH A 540 13.899 -15.410 31.322 1.00 39.17 O HETATM 2043 O HOH A 541 20.680 -21.339 30.961 1.00 35.89 O HETATM 2044 O HOH A 542 27.180 -26.380 12.387 1.00 21.61 O HETATM 2045 O HOH A 543 34.888 -13.014 11.281 1.00 37.19 O HETATM 2046 O HOH A 544 24.168 -8.832 21.126 1.00 20.19 O HETATM 2047 O HOH A 545 23.171 -8.009 28.713 1.00 33.21 O HETATM 2048 O HOH A 546 15.793 -30.783 3.908 1.00 19.14 O HETATM 2049 O HOH A 547 12.088 -5.928 28.369 1.00 25.21 O HETATM 2050 O HOH A 548 0.482 -1.676 0.903 1.00 37.31 O HETATM 2051 O HOH A 549 10.830 4.357 9.568 1.00 21.36 O HETATM 2052 O HOH A 550 17.714 2.425 8.490 1.00 20.71 O HETATM 2053 O HOH A 551 14.238 -3.111 4.942 1.00 23.74 O HETATM 2054 O HOH A 552 12.436 -18.453 -4.668 1.00 22.14 O HETATM 2055 O HOH A 553 18.841 -11.159 -1.640 1.00 36.55 O HETATM 2056 O HOH A 554 13.844 -30.753 -8.197 1.00 30.50 O HETATM 2057 O HOH A 555 22.116 -21.278 12.563 1.00 24.28 O HETATM 2058 O HOH A 556 14.171 -27.698 25.432 1.00 27.25 O HETATM 2059 O HOH A 557 19.031 -11.128 11.655 1.00 16.75 O HETATM 2060 O HOH A 558 21.199 -18.391 35.134 1.00 29.46 O HETATM 2061 O HOH A 559 5.569 3.776 20.463 1.00 30.37 O HETATM 2062 O HOH A 560 3.628 -23.573 -3.903 1.00 32.07 O HETATM 2063 O HOH A 561 -0.465 -21.381 14.406 1.00 28.64 O HETATM 2064 O HOH A 562 28.038 -24.787 4.678 1.00 41.95 O HETATM 2065 O HOH A 563 28.332 -8.781 19.169 1.00 39.33 O HETATM 2066 O HOH A 564 30.773 -21.981 5.705 1.00 35.85 O HETATM 2067 O HOH A 565 18.609 4.687 7.141 1.00 28.29 O HETATM 2068 O HOH A 566 10.151 -31.733 -10.188 1.00 52.64 O HETATM 2069 O HOH A 567 15.479 -33.356 4.014 1.00 33.85 O HETATM 2070 O HOH A 568 10.294 -30.059 15.152 1.00 43.65 O HETATM 2071 O HOH A 569 11.643 -28.446 24.603 1.00 39.16 O HETATM 2072 O HOH A 570 21.633 -16.574 11.766 1.00 30.68 O HETATM 2073 O HOH A 571 29.191 -20.792 3.866 1.00 44.04 O HETATM 2074 O HOH A 572 33.263 -21.769 4.975 1.00 49.44 O HETATM 2075 O HOH A 573 31.792 -11.589 0.658 1.00 48.51 O HETATM 2076 O HOH A 574 32.034 -21.531 16.734 1.00 45.17 O HETATM 2077 O HOH A 575 14.766 2.327 23.307 1.00 30.34 O HETATM 2078 O HOH A 576 23.716 -5.081 23.680 1.00 41.71 O HETATM 2079 O HOH A 577 18.244 -4.970 30.724 1.00 34.42 O HETATM 2080 O HOH A 578 29.851 -10.023 20.725 1.00 43.96 O HETATM 2081 O HOH A 579 19.187 -9.538 36.165 1.00 27.25 O HETATM 2082 O HOH A 580 7.982 -13.812 20.883 1.00 34.98 O HETATM 2083 O HOH A 581 5.004 -15.707 19.486 1.00 43.33 O HETATM 2084 O HOH A 582 6.261 -8.904 23.560 1.00 40.90 O HETATM 2085 O HOH A 583 -0.890 -8.057 12.672 1.00 28.47 O HETATM 2086 O HOH A 584 -2.703 -9.644 -0.747 1.00 43.72 O HETATM 2087 O HOH A 585 2.522 -4.851 -9.999 1.00 39.08 O HETATM 2088 O HOH A 586 2.022 5.470 9.165 1.00 32.33 O HETATM 2089 O HOH A 587 15.251 -6.712 8.099 1.00 56.93 O HETATM 2090 O HOH A 588 24.665 -20.077 0.114 1.00 28.26 O HETATM 2091 O HOH A 589 11.615 -5.419 -2.038 1.00 46.77 O HETATM 2092 O HOH A 590 12.350 -4.603 -7.678 1.00 45.68 O HETATM 2093 O HOH A 591 4.876 -20.653 -10.780 1.00 43.98 O HETATM 2094 O HOH A 592 19.513 7.958 14.650 1.00 33.12 O HETATM 2095 O HOH A 593 18.984 5.324 15.446 1.00 22.08 O HETATM 2096 O HOH A 594 21.435 4.126 8.824 1.00 31.27 O HETATM 2097 O HOH A 595 15.839 9.292 11.219 1.00 34.30 O HETATM 2098 O HOH A 596 0.206 -20.460 19.321 1.00 44.60 O HETATM 2099 O HOH A 597 10.401 -12.872 30.031 1.00 45.96 O HETATM 2100 O HOH A 598 17.709 -35.285 10.464 1.00 33.50 O HETATM 2101 O HOH A 599 22.322 -34.278 6.775 1.00 42.58 O HETATM 2102 O HOH A 600 9.256 -17.049 24.208 1.00 52.43 O HETATM 2103 O HOH A 601 13.408 -0.869 28.196 1.00 45.22 O HETATM 2104 O HOH A 602 5.892 -10.423 21.084 1.00 35.79 O HETATM 2105 O HOH A 603 19.140 -10.853 9.349 1.00 44.97 O HETATM 2106 O HOH A 604 14.378 7.599 12.332 1.00 38.48 O CONECT 552 1991 CONECT 569 1991 CONECT 722 1990 CONECT 723 1990 CONECT 805 1989 CONECT 806 1990 CONECT 1291 1989 CONECT 1551 1989 CONECT 1741 1991 CONECT 1777 1989 CONECT 1778 1990 CONECT 1989 805 1291 1551 1777 CONECT 1989 1995 CONECT 1990 722 723 806 1778 CONECT 1990 1992 1995 CONECT 1991 552 569 1741 2026 CONECT 1992 1990 1993 CONECT 1993 1992 1994 1996 CONECT 1994 1993 1995 2000 CONECT 1995 1989 1990 1994 CONECT 1996 1993 1997 CONECT 1997 1996 1998 CONECT 1998 1997 1999 CONECT 1999 1998 2001 2002 2003 CONECT 2000 1994 CONECT 2001 1999 CONECT 2002 1999 CONECT 2003 1999 CONECT 2026 1991 END