USER MOD reduce.3.24.130724 H: found=0, std=0, add=1921, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 22-JUL-99 1C21 TITLE E. COLI METHIONINE AMINOPEPTIDASE: METHIONINE COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: METHIONINE AMINOPEPTIDASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: METHIONINE; COMPND 5 EC: 3.4.11.18; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: METHIONINE 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 1C21 1 VERSN REVDAT 3 01-APR-03 1C21 1 JRNL REVDAT 2 30-AUG-00 1C21 1 COMPND REVDAT 1 17-NOV-99 1C21 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. 1.80 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 85232 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) : 21097 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1980 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 12 REMARK 3 SOLVENT ATOMS : 97 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : 19.400 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.010 ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : 2.050 ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.006 ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : 0.012 ; 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 : 0.83 REMARK 3 BSOL : 204.60 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 1C21 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB009382. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-APR-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 : 85232 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 24.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.1 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : 0.04500 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) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 90.2 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.25600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.400 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 (%): 40.58 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: K2SO4, NACL, METHIONINE, N-OCTANOYL REMARK 280 SUCROSE, PEG 4000, HEPES, COCL2, 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 33.79400 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 33 CD CE NZ REMARK 470 LYS A 86 CE NZ REMARK 470 LEU A 87 CD1 CD2 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 224 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 9 CD GLU A 9 OE2 0.068 REMARK 500 GLU A 148 CD GLU A 148 OE2 0.069 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 - OD2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ASP A 42 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ARG A 43 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 6.4 DEGREES REMARK 500 ASP A 83 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 ASP A 92 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP A 92 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP A 103 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP A 108 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 127 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 ASP A 219 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ASP A 219 CB - CG - OD2 ANGL. DEV. = -7.4 DEGREES REMARK 500 ASP A 227 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES REMARK 500 ASP A 253 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 254 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 ASP A 254 CB - CG - OD2 ANGL. DEV. = -7.4 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 -165.74 -116.10 REMARK 500 LEU A 60 109.78 -56.85 REMARK 500 ASN A 74 -110.71 46.43 REMARK 500 ASN A 192 83.22 -150.97 REMARK 500 GLU A 204 63.48 -155.32 REMARK 500 TRP A 221 -56.79 -124.97 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 MET A 300 O REMARK 620 2 HIS A 171 NE2 122.2 REMARK 620 3 GLU A 204 OE2 105.3 85.7 REMARK 620 4 GLU A 235 OE1 109.9 127.9 78.8 REMARK 620 5 ASP A 108 OD1 93.2 91.4 159.7 87.3 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 OD2 REMARK 620 2 ASP A 97 OD1 57.7 REMARK 620 3 GLU A 235 OE2 96.6 95.6 REMARK 620 4 MET A 300 N 85.1 90.2 173.9 REMARK 620 5 MET A 300 O 95.7 152.7 93.6 80.4 REMARK 620 6 ASP A 108 OD2 155.4 97.8 88.4 92.5 108.1 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 VAL A 76 O 114.8 REMARK 620 3 ASN A 74 O 78.0 79.4 REMARK 620 4 HOH A 523 O 77.4 91.9 147.5 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 MET 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: 1C22 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 1C21 A 2 264 UNP P07906 AMPM_ECOLI 2 264 SEQADV 1C21 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 MET A 300 9 HETNAM CO COBALT (II) ION HETNAM NA SODIUM ION HETNAM MET METHIONINE FORMUL 2 CO 2(CO 2+) FORMUL 4 NA NA 1+ FORMUL 5 MET C5 H11 N O2 S FORMUL 6 HOH *97(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 ARG A 138 1 20 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 O ASN A 208 N SER A 163 SHEET 3 C 3 SER A 231 GLN A 233 -1 O ALA A 232 N 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 MET A 300 CO CO A 401 1555 1555 2.03 LINK CO CO A 401 NE2 HIS A 171 1555 1555 2.11 LINK CO CO A 401 OE2 GLU A 204 1555 1555 2.09 LINK CO CO A 401 OE1 GLU A 235 1555 1555 2.00 LINK CO CO A 401 OD1 ASP A 108 1555 1555 2.01 LINK CO CO A 402 OD2 ASP A 97 1555 1555 2.33 LINK CO CO A 402 OD1 ASP A 97 1555 1555 2.20 LINK CO CO A 402 OE2 GLU A 235 1555 1555 2.21 LINK CO CO A 402 N MET A 300 1555 1555 2.23 LINK CO CO A 402 O MET A 300 1555 1555 2.24 LINK CO CO A 402 OD2 ASP A 108 1555 1555 2.08 LINK NA NA A 501 O SER A 231 1555 1555 2.53 LINK NA NA A 501 O VAL A 76 1555 1555 2.60 LINK O ASN A 74 NA NA A 501 1555 1555 2.73 LINK NA NA A 501 O HOH A 523 1555 1555 2.75 CISPEP 1 GLU A 180 PRO A 181 0 2.75 SITE *** AC1 7 ASP A 108 HIS A 171 THR A 202 GLU A 204 SITE *** AC1 7 GLU A 235 MET A 300 CO A 402 SITE *** AC2 5 ASP A 97 ASP A 108 GLU A 235 MET 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 523 SITE *** AC4 12 HIS A 79 ASP A 97 THR A 99 ASP A 108 SITE *** AC4 12 HIS A 171 PHE A 177 HIS A 178 GLU A 204 SITE *** AC4 12 TRP A 221 GLU A 235 CO A 401 CO A 402 CRYST1 39.242 67.588 48.927 90.00 111.20 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 0.025483 0.000000 0.009886 0.00000 SCALE2 0.000000 0.014796 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021923 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 Set 1.1: A 236 HIS : no HD1:sc= 1.07 K(o=2.5,f=-12!) USER MOD Set 1.2: A 249 THR OG1 : rot 66:sc= 1.39 USER MOD Set 2.1: A 78 CYS SG : rot 25:sc= -0.799 USER MOD Set 2.2: A 206 MET CE :methyl -161:sc= -3.16 (180deg=-2.89!) USER MOD Set 2.3: A 233 GLN : amide:sc= 2 K(o=-2,f=-3) USER MOD Set 3.1: A 208 ASN : amide:sc= 1.01 K(o=2.4,f=0.28) USER MOD Set 3.2: A 231 SER OG : rot 101:sc= 1.41 USER MOD Set 4.1: A 4 SER OG : rot 131:sc= 0.872 USER MOD Set 4.2: A 6 LYS NZ :NH3+ -173:sc= 1.75 (180deg=0.516) USER MOD Set 4.3: A 200 THR OG1 : rot 103:sc= 1.06 USER MOD Set 5.1: A 169 CYS SG : rot -153:sc= 1.26 USER MOD Set 5.2: A 182 GLN : amide:sc= 0.801 X(o=2.1,f=1.9) USER MOD Set 6.1: A 145 ASN : amide:sc= -4.52! C(o=-10!,f=-6.2!) USER MOD Set 6.2: A 192 ASN : amide:sc= -5.61! K(o=-10!,f=1.6) USER MOD Set 7.1: A 130 GLN : amide:sc= 0.831 X(o=2.4,f=2.1) USER MOD Set 7.2: A 134 TYR OH : rot 14:sc= 1.53 USER MOD Set 8.1: A 112 MET CE :methyl -126:sc= -0.0241 (180deg=-0.883) USER MOD Set 8.2: A 126 CYS SG : rot 82:sc= 0.0468 USER MOD Set 9.1: A 95 ASN : amide:sc= 0.911 K(o=2,f=-0.023) USER MOD Set 9.2: A 110 SER OG : rot -136:sc= 1.12 USER MOD Set10.1: A 65 TYR OH : rot 165:sc= 0.433 USER MOD Set10.2: A 70 CYS SG : rot -38:sc= 0.232 USER MOD Set11.1: A 62 TYR OH : rot 105:sc= 1.18 USER MOD Set11.2: A 63 HIS : no HD1:sc= -2.25! K(o=1.1!,f=3.8) USER MOD Set11.3: A 178 HIS : no HD1:sc= 2.2 K(o=1.1,f=-6.1!) USER MOD Set12.1: A 46 ASN : amide:sc= -0.342 K(o=0.3,f=2.9) USER MOD Set12.2: A 68 SER OG : rot 83:sc= 0.641 USER MOD Single : A 7 THR OG1 : rot 136:sc= 0.247 USER MOD Single : A 14 MET CE :methyl -142:sc= -3! (180deg=-4.73!) USER MOD Single : A 27 MET CE :methyl -144:sc= 0 (180deg=-0.221) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -176:sc= -2.9! USER MOD Single : A 38 THR OG1 : rot 174:sc= 1.78 USER MOD Single : A 45 CYS SG : rot 83:sc=0.000304 USER MOD Single : A 48 TYR OH : rot 40:sc= 0.211 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 53 GLN : amide:sc= 0.338 K(o=0.34,f=-0.7) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 57 SER OG : rot 135:sc= 0.932 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 0.296 (180deg=0.296) USER MOD Single : A 72 SER OG : rot 96:sc= 1.4 USER MOD Single : A 74 ASN : amide:sc= 0.265 K(o=0.27,f=-3.5!) USER MOD Single : A 79 HIS : no HD1:sc= -0.815 X(o=-0.81,f=-0.33) USER MOD Single : A 99 THR OG1 : rot 125:sc= 0.182 USER MOD Single : A 102 LYS NZ :NH3+ 143:sc= 0.719 (180deg=0.143) USER MOD Single : A 106 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5.2!) USER MOD Single : A 109 THR OG1 : rot 42:sc= 2.21 USER MOD Single : A 111 LYS NZ :NH3+ 162:sc= 1.71 (180deg=1.4) USER MOD Single : A 119 THR OG1 : rot -56:sc= 0.167 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot 80:sc= 0.977 USER MOD Single : A 132 SER OG : rot -52:sc= 0.662 USER MOD Single : A 139 MET CE :methyl 167:sc=-0.00902 (180deg=-0.141) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 GLN : amide:sc= 0.993 K(o=0.99,f=-3.9!) USER MOD Single : A 163 SER OG : rot -104:sc= 0.215 USER MOD Single : A 168 TYR OH : rot 180:sc=-0.00689 USER MOD Single : A 175 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 185 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.2!) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 188 SER OG : rot 160:sc= -0.351 USER MOD Single : A 191 THR OG1 : rot 158:sc= 1.1 USER MOD Single : A 199 MET CE :methyl -122:sc= -0.192 (180deg=-4.04!) USER MOD Single : A 202 THR OG1 : rot 151:sc= 0.738 USER MOD Single : A 212 LYS NZ :NH3+ 155:sc= 1.61 (180deg=0.263) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 MET CE :methyl -114:sc= -0.245 (180deg=-1.48) USER MOD Single : A 222 THR OG1 : rot 110:sc= 2.36 USER MOD Single : A 225 THR OG1 : rot -151:sc= 0.488 USER MOD Single : A 229 SER OG : rot -83:sc= 1.03 USER MOD Single : A 234 TYR OH : rot 8:sc= 1.45 USER MOD Single : A 237 THR OG1 : rot 64:sc= 0.851 USER MOD Single : A 241 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 243 ASN : amide:sc= -6.78! K(o=-6.8!,f=-2.8) USER MOD Single : A 245 CYS SG : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.0839 USER MOD Single : A 261 SER OG : rot 180:sc= 0 USER MOD Single : A 262 HIS : no HD1:sc= 1 K(o=1,f=-4.3!) USER MOD Single : A 300 MET CE :methyl 171:sc= -0.048 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 17.072 -13.666 -12.062 1.00 74.93 N ATOM 2 CA ALA A 2 17.439 -14.942 -11.479 1.00 67.55 C ATOM 3 C ALA A 2 16.675 -15.326 -10.213 1.00 59.60 C ATOM 4 O ALA A 2 17.273 -15.725 -9.213 1.00 61.33 O ATOM 5 CB ALA A 2 18.942 -15.085 -11.302 1.00 67.60 C ATOM 0 HA ALA A 2 17.153 -15.592 -12.139 1.00 67.55 H new ATOM 0 HB1 ALA A 2 19.141 -15.950 -10.911 1.00 67.60 H new ATOM 0 HB2 ALA A 2 19.378 -15.013 -12.166 1.00 67.60 H new ATOM 0 HB3 ALA A 2 19.267 -14.383 -10.717 1.00 67.60 H new ATOM 6 N ILE A 3 15.345 -15.221 -10.245 1.00 45.58 N ATOM 7 CA ILE A 3 14.569 -15.648 -9.098 1.00 36.24 C ATOM 8 C ILE A 3 14.215 -17.086 -9.362 1.00 42.48 C ATOM 9 O ILE A 3 13.560 -17.394 -10.357 1.00 42.13 O ATOM 10 CB ILE A 3 13.303 -14.853 -8.854 1.00 34.25 C ATOM 11 CG1 ILE A 3 13.677 -13.480 -8.305 1.00 36.44 C ATOM 12 CG2 ILE A 3 12.435 -15.591 -7.845 1.00 23.49 C ATOM 13 CD1 ILE A 3 12.470 -12.601 -8.011 1.00 39.34 C ATOM 0 H ILE A 3 14.889 -14.913 -10.906 1.00 45.58 H new ATOM 0 HA ILE A 3 15.101 -15.513 -8.298 1.00 36.24 H new ATOM 0 HB ILE A 3 12.811 -14.748 -9.684 1.00 34.25 H new ATOM 0 HG12 ILE A 3 14.193 -13.593 -7.491 1.00 36.44 H new ATOM 0 HG13 ILE A 3 14.250 -13.028 -8.944 1.00 36.44 H new ATOM 0 HG21 ILE A 3 11.623 -15.085 -7.686 1.00 23.49 H new ATOM 0 HG22 ILE A 3 12.207 -16.467 -8.194 1.00 23.49 H new ATOM 0 HG23 ILE A 3 12.921 -15.692 -7.012 1.00 23.49 H new ATOM 0 HD11 ILE A 3 12.769 -11.745 -7.666 1.00 39.34 H new ATOM 0 HD12 ILE A 3 11.965 -12.462 -8.827 1.00 39.34 H new ATOM 0 HD13 ILE A 3 11.906 -13.035 -7.352 1.00 39.34 H new ATOM 14 N SER A 4 14.687 -17.955 -8.479 1.00 36.96 N ATOM 15 CA SER A 4 14.457 -19.377 -8.606 1.00 32.95 C ATOM 16 C SER A 4 13.086 -19.822 -8.130 1.00 31.70 C ATOM 17 O SER A 4 12.608 -19.420 -7.088 1.00 35.98 O ATOM 18 CB SER A 4 15.529 -20.157 -7.877 1.00 34.49 C ATOM 19 OG SER A 4 15.063 -20.478 -6.587 1.00 62.65 O ATOM 0 H SER A 4 15.150 -17.732 -7.789 1.00 36.96 H new ATOM 0 HA SER A 4 14.495 -19.565 -9.557 1.00 32.95 H new ATOM 0 HB2 SER A 4 15.746 -20.966 -8.366 1.00 34.49 H new ATOM 0 HB3 SER A 4 16.344 -19.634 -7.819 1.00 34.49 H new ATOM 0 HG SER A 4 15.188 -21.295 -6.439 1.00 62.65 H new ATOM 20 N ILE A 5 12.457 -20.678 -8.914 1.00 28.97 N ATOM 21 CA ILE A 5 11.143 -21.241 -8.613 1.00 28.06 C ATOM 22 C ILE A 5 11.341 -22.676 -8.160 1.00 30.88 C ATOM 23 O ILE A 5 11.890 -23.516 -8.878 1.00 28.93 O ATOM 24 CB ILE A 5 10.177 -21.181 -9.798 1.00 27.59 C ATOM 25 CG1 ILE A 5 10.061 -19.766 -10.371 1.00 27.77 C ATOM 26 CG2 ILE A 5 8.834 -21.749 -9.383 1.00 20.69 C ATOM 27 CD1 ILE A 5 9.535 -18.719 -9.396 1.00 33.12 C ATOM 0 H ILE A 5 12.787 -20.959 -9.657 1.00 28.97 H new ATOM 0 HA ILE A 5 10.734 -20.707 -7.914 1.00 28.06 H new ATOM 0 HB ILE A 5 10.530 -21.726 -10.518 1.00 27.59 H new ATOM 0 HG12 ILE A 5 10.935 -19.486 -10.685 1.00 27.77 H new ATOM 0 HG13 ILE A 5 9.476 -19.791 -11.144 1.00 27.77 H new ATOM 0 HG21 ILE A 5 8.221 -21.711 -10.134 1.00 20.69 H new ATOM 0 HG22 ILE A 5 8.945 -22.671 -9.103 1.00 20.69 H new ATOM 0 HG23 ILE A 5 8.476 -21.229 -8.647 1.00 20.69 H new ATOM 0 HD11 ILE A 5 9.494 -17.857 -9.838 1.00 33.12 H new ATOM 0 HD12 ILE A 5 8.647 -18.972 -9.097 1.00 33.12 H new ATOM 0 HD13 ILE A 5 10.129 -18.661 -8.631 1.00 33.12 H new ATOM 28 N LYS A 6 10.914 -22.955 -6.941 1.00 21.89 N ATOM 29 CA LYS A 6 11.117 -24.261 -6.369 1.00 19.35 C ATOM 30 C LYS A 6 10.194 -25.299 -6.914 1.00 24.94 C ATOM 31 O LYS A 6 9.039 -25.008 -7.128 1.00 25.22 O ATOM 32 CB LYS A 6 10.970 -24.200 -4.850 1.00 22.56 C ATOM 33 CG LYS A 6 12.238 -23.759 -4.137 1.00 20.18 C ATOM 34 CD LYS A 6 12.833 -22.495 -4.679 1.00 21.97 C ATOM 35 CE LYS A 6 14.092 -22.048 -3.940 1.00 21.29 C ATOM 36 NZ LYS A 6 14.363 -20.624 -4.177 1.00 18.56 N ATOM 0 H LYS A 6 10.504 -22.397 -6.431 1.00 21.89 H new ATOM 0 HA LYS A 6 12.018 -24.525 -6.613 1.00 19.35 H new ATOM 0 HB2 LYS A 6 10.252 -23.588 -4.626 1.00 22.56 H new ATOM 0 HB3 LYS A 6 10.710 -25.075 -4.522 1.00 22.56 H new ATOM 0 HG2 LYS A 6 12.042 -23.636 -3.195 1.00 20.18 H new ATOM 0 HG3 LYS A 6 12.897 -24.468 -4.199 1.00 20.18 H new ATOM 0 HD2 LYS A 6 13.045 -22.622 -5.617 1.00 21.97 H new ATOM 0 HD3 LYS A 6 12.171 -21.788 -4.631 1.00 21.97 H new ATOM 0 HE2 LYS A 6 13.987 -22.207 -2.989 1.00 21.29 H new ATOM 0 HE3 LYS A 6 14.849 -22.578 -4.234 1.00 21.29 H new ATOM 0 HZ1 LYS A 6 15.151 -20.409 -3.823 1.00 18.56 H new ATOM 0 HZ2 LYS A 6 14.378 -20.466 -5.053 1.00 18.56 H new ATOM 0 HZ3 LYS A 6 13.724 -20.133 -3.799 1.00 18.56 H new ATOM 37 N THR A 7 10.693 -26.524 -7.082 1.00 23.27 N ATOM 38 CA THR A 7 9.806 -27.576 -7.525 1.00 27.87 C ATOM 39 C THR A 7 9.180 -28.127 -6.263 1.00 34.82 C ATOM 40 O THR A 7 9.584 -27.781 -5.143 1.00 28.28 O ATOM 41 CB THR A 7 10.566 -28.730 -8.193 1.00 39.97 C ATOM 42 OG1 THR A 7 11.473 -29.298 -7.251 1.00 27.79 O ATOM 43 CG2 THR A 7 11.303 -28.235 -9.436 1.00 41.64 C ATOM 0 H THR A 7 11.511 -26.753 -6.949 1.00 23.27 H new ATOM 0 HA THR A 7 9.172 -27.222 -8.168 1.00 27.87 H new ATOM 0 HB THR A 7 9.938 -29.412 -8.477 1.00 39.97 H new ATOM 0 HG1 THR A 7 11.437 -30.136 -7.297 1.00 27.79 H new ATOM 0 HG21 THR A 7 11.778 -28.974 -9.847 1.00 41.64 H new ATOM 0 HG22 THR A 7 10.664 -27.871 -10.068 1.00 41.64 H new ATOM 0 HG23 THR A 7 11.936 -27.545 -9.184 1.00 41.64 H new ATOM 44 N PRO A 8 8.223 -29.015 -6.455 1.00 25.70 N ATOM 45 CA PRO A 8 7.538 -29.629 -5.346 1.00 25.07 C ATOM 46 C PRO A 8 8.497 -30.419 -4.476 1.00 27.83 C ATOM 47 O PRO A 8 8.373 -30.484 -3.256 1.00 24.43 O ATOM 48 CB PRO A 8 6.427 -30.498 -5.939 1.00 28.59 C ATOM 49 CG PRO A 8 6.289 -30.043 -7.393 1.00 30.50 C ATOM 50 CD PRO A 8 7.544 -29.258 -7.752 1.00 25.17 C ATOM 0 HA PRO A 8 7.153 -28.961 -4.757 1.00 25.07 H new ATOM 0 HB2 PRO A 8 6.654 -31.440 -5.887 1.00 28.59 H new ATOM 0 HB3 PRO A 8 5.595 -30.380 -5.455 1.00 28.59 H new ATOM 0 HG2 PRO A 8 6.186 -30.808 -7.981 1.00 30.50 H new ATOM 0 HG3 PRO A 8 5.499 -29.491 -7.504 1.00 30.50 H new ATOM 0 HD2 PRO A 8 8.112 -29.760 -8.358 1.00 25.17 H new ATOM 0 HD3 PRO A 8 7.323 -28.424 -8.195 1.00 25.17 H new ATOM 51 N GLU A 9 9.482 -30.998 -5.134 1.00 26.32 N ATOM 52 CA GLU A 9 10.480 -31.769 -4.424 1.00 25.59 C ATOM 53 C GLU A 9 11.336 -30.812 -3.604 1.00 26.79 C ATOM 54 O GLU A 9 11.678 -31.104 -2.459 1.00 26.87 O ATOM 55 CB GLU A 9 11.357 -32.627 -5.379 1.00 23.81 C ATOM 56 CG GLU A 9 10.563 -33.514 -6.384 1.00 48.74 C ATOM 57 CD GLU A 9 9.863 -32.787 -7.522 1.00 68.94 C ATOM 58 OE1 GLU A 9 10.438 -32.101 -8.369 1.00 69.77 O ATOM 59 OE2 GLU A 9 8.566 -33.033 -7.536 1.00 51.74 O ATOM 0 H GLU A 9 9.591 -30.958 -5.986 1.00 26.32 H new ATOM 0 HA GLU A 9 10.029 -32.398 -3.839 1.00 25.59 H new ATOM 0 HB2 GLU A 9 11.939 -32.035 -5.881 1.00 23.81 H new ATOM 0 HB3 GLU A 9 11.928 -33.200 -4.844 1.00 23.81 H new ATOM 0 HG2 GLU A 9 11.175 -34.161 -6.768 1.00 48.74 H new ATOM 0 HG3 GLU A 9 9.897 -34.014 -5.887 1.00 48.74 H new ATOM 60 N ASP A 10 11.673 -29.668 -4.200 1.00 24.08 N ATOM 61 CA ASP A 10 12.467 -28.691 -3.491 1.00 23.22 C ATOM 62 C ASP A 10 11.729 -28.225 -2.240 1.00 28.33 C ATOM 63 O ASP A 10 12.296 -28.089 -1.164 1.00 19.38 O ATOM 64 CB ASP A 10 12.684 -27.474 -4.356 1.00 22.59 C ATOM 65 CG ASP A 10 13.686 -27.773 -5.406 1.00 30.65 C ATOM 66 OD1 ASP A 10 14.443 -28.711 -5.358 1.00 28.13 O ATOM 67 OD2 ASP A 10 13.636 -26.913 -6.373 1.00 33.33 O ATOM 0 H ASP A 10 11.452 -29.448 -5.002 1.00 24.08 H new ATOM 0 HA ASP A 10 13.313 -29.105 -3.259 1.00 23.22 H new ATOM 0 HB2 ASP A 10 11.847 -27.204 -4.764 1.00 22.59 H new ATOM 0 HB3 ASP A 10 12.986 -26.730 -3.812 1.00 22.59 H new ATOM 68 N ILE A 11 10.450 -27.965 -2.412 1.00 21.01 N ATOM 69 CA ILE A 11 9.647 -27.495 -1.313 1.00 20.45 C ATOM 70 C ILE A 11 9.563 -28.489 -0.175 1.00 30.07 C ATOM 71 O ILE A 11 9.519 -28.104 0.991 1.00 32.11 O ATOM 72 CB ILE A 11 8.305 -26.962 -1.777 1.00 19.70 C ATOM 73 CG1 ILE A 11 8.563 -25.641 -2.497 1.00 22.65 C ATOM 74 CG2 ILE A 11 7.401 -26.756 -0.572 1.00 20.20 C ATOM 75 CD1 ILE A 11 7.803 -25.523 -3.804 1.00 48.06 C ATOM 0 H ILE A 11 10.030 -28.055 -3.157 1.00 21.01 H new ATOM 0 HA ILE A 11 10.109 -26.733 -0.930 1.00 20.45 H new ATOM 0 HB ILE A 11 7.865 -27.584 -2.377 1.00 19.70 H new ATOM 0 HG12 ILE A 11 8.313 -24.906 -1.915 1.00 22.65 H new ATOM 0 HG13 ILE A 11 9.513 -25.553 -2.672 1.00 22.65 H new ATOM 0 HG21 ILE A 11 6.542 -26.415 -0.866 1.00 20.20 H new ATOM 0 HG22 ILE A 11 7.273 -27.602 -0.115 1.00 20.20 H new ATOM 0 HG23 ILE A 11 7.810 -26.119 0.035 1.00 20.20 H new ATOM 0 HD11 ILE A 11 8.002 -24.669 -4.218 1.00 48.06 H new ATOM 0 HD12 ILE A 11 8.070 -26.241 -4.400 1.00 48.06 H new ATOM 0 HD13 ILE A 11 6.850 -25.584 -3.631 1.00 48.06 H new ATOM 76 N GLU A 12 9.585 -29.770 -0.493 1.00 21.59 N ATOM 77 CA GLU A 12 9.532 -30.764 0.557 1.00 20.89 C ATOM 78 C GLU A 12 10.781 -30.722 1.461 1.00 25.68 C ATOM 79 O GLU A 12 10.742 -30.912 2.692 1.00 24.51 O ATOM 80 CB GLU A 12 9.292 -32.151 -0.057 1.00 22.93 C ATOM 81 CG GLU A 12 8.043 -32.772 0.577 1.00 44.45 C ATOM 82 CD GLU A 12 7.935 -32.398 2.043 1.00100.00 C ATOM 83 OE1 GLU A 12 8.823 -32.577 2.890 1.00 64.16 O ATOM 84 OE2 GLU A 12 6.779 -31.836 2.310 1.00100.00 O ATOM 0 H GLU A 12 9.629 -30.080 -1.294 1.00 21.59 H new ATOM 0 HA GLU A 12 8.785 -30.559 1.141 1.00 20.89 H new ATOM 0 HB2 GLU A 12 9.178 -32.076 -1.017 1.00 22.93 H new ATOM 0 HB3 GLU A 12 10.062 -32.721 0.094 1.00 22.93 H new ATOM 0 HG2 GLU A 12 7.252 -32.471 0.104 1.00 44.45 H new ATOM 0 HG3 GLU A 12 8.077 -33.737 0.488 1.00 44.45 H new ATOM 85 N LYS A 13 11.916 -30.463 0.818 1.00 21.14 N ATOM 86 CA LYS A 13 13.166 -30.372 1.531 1.00 19.84 C ATOM 87 C LYS A 13 13.221 -29.101 2.363 1.00 23.50 C ATOM 88 O LYS A 13 13.776 -29.085 3.449 1.00 22.53 O ATOM 89 CB LYS A 13 14.343 -30.519 0.593 1.00 24.55 C ATOM 90 CG LYS A 13 14.647 -31.996 0.301 1.00 42.78 C ATOM 91 CD LYS A 13 15.883 -32.238 -0.551 1.00 52.96 C ATOM 0 H LYS A 13 11.975 -30.338 -0.031 1.00 21.14 H new ATOM 0 HA LYS A 13 13.223 -31.114 2.154 1.00 19.84 H new ATOM 0 HB2 LYS A 13 14.156 -30.055 -0.238 1.00 24.55 H new ATOM 0 HB3 LYS A 13 15.124 -30.097 0.984 1.00 24.55 H new ATOM 0 HG2 LYS A 13 14.755 -32.464 1.144 1.00 42.78 H new ATOM 0 HG3 LYS A 13 13.880 -32.389 -0.145 1.00 42.78 H new ATOM 92 N MET A 14 12.619 -28.029 1.857 1.00 20.23 N ATOM 93 CA MET A 14 12.590 -26.772 2.596 1.00 20.99 C ATOM 94 C MET A 14 11.700 -26.859 3.833 1.00 19.52 C ATOM 95 O MET A 14 11.938 -26.197 4.844 1.00 17.56 O ATOM 96 CB MET A 14 12.124 -25.595 1.745 1.00 21.39 C ATOM 97 CG MET A 14 12.789 -25.538 0.394 1.00 31.83 C ATOM 98 SD MET A 14 13.444 -23.893 0.079 1.00 38.30 S ATOM 99 CE MET A 14 14.609 -23.983 1.450 1.00 27.69 C ATOM 0 H MET A 14 12.224 -28.008 1.093 1.00 20.23 H new ATOM 0 HA MET A 14 13.509 -26.616 2.865 1.00 20.99 H new ATOM 0 HB2 MET A 14 11.163 -25.652 1.624 1.00 21.39 H new ATOM 0 HB3 MET A 14 12.302 -24.769 2.221 1.00 21.39 H new ATOM 0 HG2 MET A 14 13.506 -26.190 0.353 1.00 31.83 H new ATOM 0 HG3 MET A 14 12.150 -25.775 -0.297 1.00 31.83 H new ATOM 0 HE1 MET A 14 14.667 -23.117 1.883 1.00 27.69 H new ATOM 0 HE2 MET A 14 14.304 -24.644 2.091 1.00 27.69 H new ATOM 0 HE3 MET A 14 15.484 -24.236 1.116 1.00 27.69 H new ATOM 100 N ARG A 15 10.647 -27.658 3.715 1.00 13.96 N ATOM 101 CA ARG A 15 9.735 -27.894 4.805 1.00 19.19 C ATOM 102 C ARG A 15 10.516 -28.563 5.952 1.00 25.04 C ATOM 103 O ARG A 15 10.310 -28.285 7.123 1.00 23.71 O ATOM 104 CB ARG A 15 8.668 -28.884 4.357 1.00 24.37 C ATOM 105 CG ARG A 15 7.321 -28.242 4.169 1.00 27.92 C ATOM 106 CD ARG A 15 6.288 -29.209 3.614 1.00 27.85 C ATOM 107 NE ARG A 15 5.222 -28.511 2.914 1.00 31.22 N ATOM 108 CZ ARG A 15 5.038 -28.656 1.612 1.00 55.84 C ATOM 109 NH1 ARG A 15 5.814 -29.460 0.880 1.00 49.33 N ATOM 110 NH2 ARG A 15 4.047 -27.986 1.035 1.00 68.35 N ATOM 0 H ARG A 15 10.447 -28.078 2.992 1.00 13.96 H new ATOM 0 HA ARG A 15 9.335 -27.056 5.084 1.00 19.19 H new ATOM 0 HB2 ARG A 15 8.944 -29.296 3.524 1.00 24.37 H new ATOM 0 HB3 ARG A 15 8.595 -29.594 5.014 1.00 24.37 H new ATOM 0 HG2 ARG A 15 7.010 -27.894 5.020 1.00 27.92 H new ATOM 0 HG3 ARG A 15 7.408 -27.486 3.568 1.00 27.92 H new ATOM 0 HD2 ARG A 15 6.720 -29.832 3.009 1.00 27.85 H new ATOM 0 HD3 ARG A 15 5.912 -29.732 4.339 1.00 27.85 H new ATOM 0 HE ARG A 15 4.699 -27.992 3.357 1.00 31.22 H new ATOM 0 HH11 ARG A 15 6.452 -29.899 1.254 1.00 49.33 H new ATOM 0 HH12 ARG A 15 5.676 -29.539 0.035 1.00 49.33 H new ATOM 0 HH21 ARG A 15 3.543 -27.473 1.507 1.00 68.35 H new ATOM 0 HH22 ARG A 15 3.909 -28.065 0.190 1.00 68.35 H new ATOM 111 N VAL A 16 11.424 -29.475 5.603 1.00 17.37 N ATOM 112 CA VAL A 16 12.203 -30.157 6.607 1.00 15.14 C ATOM 113 C VAL A 16 13.203 -29.213 7.249 1.00 17.73 C ATOM 114 O VAL A 16 13.298 -29.129 8.451 1.00 19.43 O ATOM 115 CB VAL A 16 12.960 -31.330 5.995 1.00 26.27 C ATOM 116 CG1 VAL A 16 14.000 -31.855 7.002 1.00 26.86 C ATOM 117 CG2 VAL A 16 11.970 -32.443 5.649 1.00 25.87 C ATOM 0 H VAL A 16 11.596 -29.705 4.793 1.00 17.37 H new ATOM 0 HA VAL A 16 11.587 -30.483 7.282 1.00 15.14 H new ATOM 0 HB VAL A 16 13.415 -31.039 5.189 1.00 26.27 H new ATOM 0 HG11 VAL A 16 14.481 -32.601 6.611 1.00 26.86 H new ATOM 0 HG12 VAL A 16 14.626 -31.147 7.220 1.00 26.86 H new ATOM 0 HG13 VAL A 16 13.550 -32.148 7.809 1.00 26.86 H new ATOM 0 HG21 VAL A 16 12.448 -33.192 5.259 1.00 25.87 H new ATOM 0 HG22 VAL A 16 11.516 -32.734 6.455 1.00 25.87 H new ATOM 0 HG23 VAL A 16 11.318 -32.110 5.013 1.00 25.87 H new ATOM 118 N ALA A 17 13.958 -28.487 6.441 1.00 17.46 N ATOM 119 CA ALA A 17 14.942 -27.555 6.960 1.00 13.76 C ATOM 120 C ALA A 17 14.281 -26.452 7.779 1.00 19.29 C ATOM 121 O ALA A 17 14.836 -25.946 8.748 1.00 16.35 O ATOM 122 CB ALA A 17 15.822 -26.992 5.847 1.00 14.45 C ATOM 0 H ALA A 17 13.915 -28.520 5.583 1.00 17.46 H new ATOM 0 HA ALA A 17 15.526 -28.046 7.559 1.00 13.76 H new ATOM 0 HB1 ALA A 17 16.467 -26.374 6.225 1.00 14.45 H new ATOM 0 HB2 ALA A 17 16.290 -27.718 5.406 1.00 14.45 H new ATOM 0 HB3 ALA A 17 15.269 -26.525 5.201 1.00 14.45 H new ATOM 123 N GLY A 18 13.088 -26.058 7.369 1.00 17.94 N ATOM 124 CA GLY A 18 12.374 -25.004 8.055 1.00 19.24 C ATOM 125 C GLY A 18 11.940 -25.425 9.457 1.00 22.20 C ATOM 126 O GLY A 18 12.051 -24.666 10.440 1.00 17.93 O ATOM 0 H GLY A 18 12.674 -26.391 6.692 1.00 17.94 H new ATOM 0 HA2 GLY A 18 12.939 -24.218 8.115 1.00 19.24 H new ATOM 0 HA3 GLY A 18 11.593 -24.754 7.537 1.00 19.24 H new ATOM 127 N ARG A 19 11.457 -26.657 9.541 1.00 14.48 N ATOM 128 CA ARG A 19 11.011 -27.180 10.818 1.00 17.49 C ATOM 129 C ARG A 19 12.222 -27.378 11.769 1.00 17.06 C ATOM 130 O ARG A 19 12.125 -27.159 12.970 1.00 17.71 O ATOM 131 CB ARG A 19 10.218 -28.473 10.592 1.00 18.51 C ATOM 132 CG ARG A 19 9.488 -28.923 11.848 1.00 36.37 C ATOM 133 CD ARG A 19 8.805 -27.776 12.591 1.00 44.98 C ATOM 134 NE ARG A 19 8.939 -27.891 14.042 1.00 37.17 N ATOM 135 CZ ARG A 19 8.336 -27.113 14.915 1.00 82.02 C ATOM 136 NH1 ARG A 19 8.502 -27.307 16.208 1.00100.00 N ATOM 137 NH2 ARG A 19 7.550 -26.124 14.495 1.00 94.81 N ATOM 0 H ARG A 19 11.380 -27.199 8.878 1.00 14.48 H new ATOM 0 HA ARG A 19 10.418 -26.546 11.250 1.00 17.49 H new ATOM 0 HB2 ARG A 19 9.576 -28.337 9.878 1.00 18.51 H new ATOM 0 HB3 ARG A 19 10.821 -29.175 10.301 1.00 18.51 H new ATOM 0 HG2 ARG A 19 8.823 -29.587 11.608 1.00 36.37 H new ATOM 0 HG3 ARG A 19 10.119 -29.356 12.444 1.00 36.37 H new ATOM 0 HD2 ARG A 19 9.187 -26.933 12.300 1.00 44.98 H new ATOM 0 HD3 ARG A 19 7.864 -27.757 12.356 1.00 44.98 H new ATOM 0 HE ARG A 19 9.449 -28.512 14.347 1.00 37.17 H new ATOM 0 HH11 ARG A 19 9.007 -27.945 16.486 1.00100.00 H new ATOM 0 HH12 ARG A 19 8.105 -26.795 16.774 1.00100.00 H new ATOM 0 HH21 ARG A 19 7.436 -25.993 13.653 1.00 94.81 H new ATOM 0 HH22 ARG A 19 7.156 -25.616 15.066 1.00 94.81 H new ATOM 138 N LEU A 20 13.381 -27.785 11.218 1.00 17.26 N ATOM 139 CA LEU A 20 14.585 -27.969 12.018 1.00 17.29 C ATOM 140 C LEU A 20 14.952 -26.629 12.615 1.00 18.72 C ATOM 141 O LEU A 20 15.205 -26.508 13.787 1.00 18.33 O ATOM 142 CB LEU A 20 15.783 -28.524 11.205 1.00 17.22 C ATOM 143 CG LEU A 20 15.666 -30.019 10.802 1.00 18.41 C ATOM 144 CD1 LEU A 20 16.926 -30.456 10.096 1.00 18.10 C ATOM 145 CD2 LEU A 20 15.482 -30.947 11.984 1.00 19.22 C ATOM 0 H LEU A 20 13.481 -27.957 10.381 1.00 17.26 H new ATOM 0 HA LEU A 20 14.394 -28.629 12.703 1.00 17.29 H new ATOM 0 HB2 LEU A 20 15.884 -27.993 10.400 1.00 17.22 H new ATOM 0 HB3 LEU A 20 16.593 -28.406 11.726 1.00 17.22 H new ATOM 0 HG LEU A 20 14.882 -30.079 10.233 1.00 18.41 H new ATOM 0 HD11 LEU A 20 16.850 -31.390 9.846 1.00 18.10 H new ATOM 0 HD12 LEU A 20 17.054 -29.918 9.299 1.00 18.10 H new ATOM 0 HD13 LEU A 20 17.685 -30.342 10.689 1.00 18.10 H new ATOM 0 HD21 LEU A 20 15.416 -31.862 11.670 1.00 19.22 H new ATOM 0 HD22 LEU A 20 16.242 -30.865 12.581 1.00 19.22 H new ATOM 0 HD23 LEU A 20 14.671 -30.709 12.459 1.00 19.22 H new ATOM 146 N ALA A 21 14.965 -25.593 11.794 1.00 16.60 N ATOM 147 CA ALA A 21 15.329 -24.297 12.307 1.00 14.63 C ATOM 148 C ALA A 21 14.384 -23.831 13.398 1.00 18.09 C ATOM 149 O ALA A 21 14.787 -23.256 14.420 1.00 17.03 O ATOM 150 CB ALA A 21 15.500 -23.274 11.195 1.00 16.48 C ATOM 0 H ALA A 21 14.771 -25.620 10.957 1.00 16.60 H new ATOM 0 HA ALA A 21 16.199 -24.389 12.726 1.00 14.63 H new ATOM 0 HB1 ALA A 21 15.744 -22.417 11.578 1.00 16.48 H new ATOM 0 HB2 ALA A 21 16.199 -23.568 10.589 1.00 16.48 H new ATOM 0 HB3 ALA A 21 14.667 -23.184 10.707 1.00 16.48 H new ATOM 151 N ALA A 22 13.099 -24.054 13.166 1.00 14.52 N ATOM 152 CA ALA A 22 12.111 -23.626 14.129 1.00 15.74 C ATOM 153 C ALA A 22 12.351 -24.358 15.443 1.00 22.35 C ATOM 154 O ALA A 22 12.227 -23.824 16.556 1.00 15.42 O ATOM 155 CB ALA A 22 10.701 -23.943 13.618 1.00 14.91 C ATOM 0 H ALA A 22 12.786 -24.446 12.467 1.00 14.52 H new ATOM 0 HA ALA A 22 12.187 -22.668 14.263 1.00 15.74 H new ATOM 0 HB1 ALA A 22 10.046 -23.652 14.272 1.00 14.91 H new ATOM 0 HB2 ALA A 22 10.549 -23.479 12.780 1.00 14.91 H new ATOM 0 HB3 ALA A 22 10.614 -24.899 13.478 1.00 14.91 H new ATOM 156 N GLU A 23 12.678 -25.622 15.288 1.00 14.60 N ATOM 157 CA GLU A 23 12.900 -26.451 16.450 1.00 13.02 C ATOM 158 C GLU A 23 14.032 -25.969 17.364 1.00 17.13 C ATOM 159 O GLU A 23 13.946 -26.120 18.584 1.00 15.90 O ATOM 160 CB GLU A 23 13.118 -27.894 15.997 1.00 15.43 C ATOM 161 CG GLU A 23 13.116 -28.874 17.175 1.00 23.58 C ATOM 162 CD GLU A 23 13.346 -30.252 16.639 1.00 60.07 C ATOM 163 OE1 GLU A 23 14.439 -30.668 16.288 1.00 29.35 O ATOM 164 OE2 GLU A 23 12.235 -30.919 16.514 1.00 55.15 O ATOM 0 H GLU A 23 12.776 -26.016 14.530 1.00 14.60 H new ATOM 0 HA GLU A 23 12.104 -26.390 17.002 1.00 13.02 H new ATOM 0 HB2 GLU A 23 12.422 -28.143 15.369 1.00 15.43 H new ATOM 0 HB3 GLU A 23 13.963 -27.959 15.525 1.00 15.43 H new ATOM 0 HG2 GLU A 23 13.809 -28.639 17.812 1.00 23.58 H new ATOM 0 HG3 GLU A 23 12.270 -28.832 17.648 1.00 23.58 H new ATOM 165 N VAL A 24 15.087 -25.407 16.783 1.00 12.94 N ATOM 166 CA VAL A 24 16.198 -24.885 17.580 1.00 13.20 C ATOM 167 C VAL A 24 15.691 -23.770 18.510 1.00 18.20 C ATOM 168 O VAL A 24 16.042 -23.641 19.685 1.00 16.37 O ATOM 169 CB VAL A 24 17.277 -24.371 16.636 1.00 14.35 C ATOM 170 CG1 VAL A 24 18.340 -23.597 17.418 1.00 18.67 C ATOM 171 CG2 VAL A 24 17.914 -25.536 15.873 1.00 14.72 C ATOM 0 H VAL A 24 15.181 -25.317 15.933 1.00 12.94 H new ATOM 0 HA VAL A 24 16.575 -25.585 18.135 1.00 13.20 H new ATOM 0 HB VAL A 24 16.869 -23.770 15.994 1.00 14.35 H new ATOM 0 HG11 VAL A 24 19.021 -23.275 16.807 1.00 18.67 H new ATOM 0 HG12 VAL A 24 17.927 -22.843 17.867 1.00 18.67 H new ATOM 0 HG13 VAL A 24 18.747 -24.181 18.076 1.00 18.67 H new ATOM 0 HG21 VAL A 24 18.599 -25.196 15.276 1.00 14.72 H new ATOM 0 HG22 VAL A 24 18.314 -26.156 16.503 1.00 14.72 H new ATOM 0 HG23 VAL A 24 17.234 -25.995 15.356 1.00 14.72 H new ATOM 172 N LEU A 25 14.812 -22.928 17.963 1.00 17.21 N ATOM 173 CA LEU A 25 14.239 -21.828 18.724 1.00 13.22 C ATOM 174 C LEU A 25 13.311 -22.335 19.788 1.00 13.59 C ATOM 175 O LEU A 25 13.212 -21.764 20.874 1.00 16.60 O ATOM 176 CB LEU A 25 13.501 -20.803 17.828 1.00 8.26 C ATOM 177 CG LEU A 25 14.419 -20.082 16.861 1.00 14.64 C ATOM 178 CD1 LEU A 25 13.606 -19.084 16.044 1.00 15.60 C ATOM 179 CD2 LEU A 25 15.527 -19.371 17.638 1.00 20.12 C ATOM 0 H LEU A 25 14.537 -22.981 17.150 1.00 17.21 H new ATOM 0 HA LEU A 25 14.985 -21.369 19.141 1.00 13.22 H new ATOM 0 HB2 LEU A 25 12.808 -21.261 17.326 1.00 8.26 H new ATOM 0 HB3 LEU A 25 13.058 -20.150 18.392 1.00 8.26 H new ATOM 0 HG LEU A 25 14.829 -20.720 16.256 1.00 14.64 H new ATOM 0 HD11 LEU A 25 14.191 -18.621 15.424 1.00 15.60 H new ATOM 0 HD12 LEU A 25 12.918 -19.555 15.548 1.00 15.60 H new ATOM 0 HD13 LEU A 25 13.191 -18.440 16.639 1.00 15.60 H new ATOM 0 HD21 LEU A 25 16.113 -18.910 17.018 1.00 20.12 H new ATOM 0 HD22 LEU A 25 15.133 -18.728 18.248 1.00 20.12 H new ATOM 0 HD23 LEU A 25 16.039 -20.023 18.142 1.00 20.12 H new ATOM 180 N GLU A 26 12.587 -23.409 19.488 1.00 12.89 N ATOM 181 CA GLU A 26 11.683 -23.886 20.512 1.00 11.53 C ATOM 182 C GLU A 26 12.472 -24.474 21.694 1.00 21.46 C ATOM 183 O GLU A 26 12.149 -24.295 22.866 1.00 18.52 O ATOM 184 CB GLU A 26 10.736 -24.949 19.950 1.00 12.92 C ATOM 185 CG GLU A 26 9.674 -24.359 18.990 1.00 15.00 C ATOM 186 CD GLU A 26 8.922 -25.446 18.258 1.00 25.74 C ATOM 187 OE1 GLU A 26 9.288 -26.600 18.236 1.00 27.59 O ATOM 188 OE2 GLU A 26 7.840 -25.051 17.660 1.00 26.50 O ATOM 0 H GLU A 26 12.602 -23.847 18.748 1.00 12.89 H new ATOM 0 HA GLU A 26 11.158 -23.131 20.822 1.00 11.53 H new ATOM 0 HB2 GLU A 26 11.254 -25.621 19.479 1.00 12.92 H new ATOM 0 HB3 GLU A 26 10.288 -25.398 20.684 1.00 12.92 H new ATOM 0 HG2 GLU A 26 9.049 -23.814 19.493 1.00 15.00 H new ATOM 0 HG3 GLU A 26 10.106 -23.775 18.348 1.00 15.00 H new ATOM 189 N MET A 27 13.521 -25.188 21.352 1.00 16.12 N ATOM 190 CA MET A 27 14.394 -25.886 22.240 1.00 16.61 C ATOM 191 C MET A 27 15.142 -24.990 23.206 1.00 16.64 C ATOM 192 O MET A 27 15.334 -25.320 24.371 1.00 17.19 O ATOM 193 CB MET A 27 15.410 -26.535 21.284 1.00 19.88 C ATOM 194 CG MET A 27 16.511 -27.373 21.875 1.00 23.27 C ATOM 195 SD MET A 27 17.906 -26.418 22.517 1.00 23.77 S ATOM 196 CE MET A 27 18.728 -25.850 21.011 1.00 23.61 C ATOM 0 H MET A 27 13.753 -25.280 20.529 1.00 16.12 H new ATOM 0 HA MET A 27 13.891 -26.496 22.802 1.00 16.61 H new ATOM 0 HB2 MET A 27 14.917 -27.091 20.661 1.00 19.88 H new ATOM 0 HB3 MET A 27 15.823 -25.827 20.766 1.00 19.88 H new ATOM 0 HG2 MET A 27 16.144 -27.912 22.593 1.00 23.27 H new ATOM 0 HG3 MET A 27 16.836 -27.986 21.197 1.00 23.27 H new ATOM 0 HE1 MET A 27 19.688 -25.844 21.149 1.00 23.61 H new ATOM 0 HE2 MET A 27 18.511 -26.448 20.279 1.00 23.61 H new ATOM 0 HE3 MET A 27 18.427 -24.953 20.796 1.00 23.61 H new ATOM 197 N ILE A 28 15.630 -23.873 22.721 1.00 12.94 N ATOM 198 CA ILE A 28 16.485 -23.005 23.534 1.00 13.61 C ATOM 199 C ILE A 28 15.803 -22.209 24.629 1.00 14.54 C ATOM 200 O ILE A 28 16.421 -21.692 25.591 1.00 16.84 O ATOM 201 CB ILE A 28 17.279 -22.101 22.582 1.00 16.88 C ATOM 202 CG1 ILE A 28 18.537 -21.492 23.207 1.00 21.96 C ATOM 203 CG2 ILE A 28 16.407 -20.981 22.016 1.00 11.26 C ATOM 204 CD1 ILE A 28 19.583 -22.502 23.611 1.00 16.33 C ATOM 0 H ILE A 28 15.485 -23.588 21.923 1.00 12.94 H new ATOM 0 HA ILE A 28 17.065 -23.592 24.044 1.00 13.61 H new ATOM 0 HB ILE A 28 17.568 -22.689 21.867 1.00 16.88 H new ATOM 0 HG12 ILE A 28 18.930 -20.870 22.575 1.00 21.96 H new ATOM 0 HG13 ILE A 28 18.280 -20.978 23.989 1.00 21.96 H new ATOM 0 HG21 ILE A 28 16.936 -20.429 21.420 1.00 11.26 H new ATOM 0 HG22 ILE A 28 15.664 -21.366 21.525 1.00 11.26 H new ATOM 0 HG23 ILE A 28 16.067 -20.437 22.743 1.00 11.26 H new ATOM 0 HD11 ILE A 28 20.345 -22.042 23.997 1.00 16.33 H new ATOM 0 HD12 ILE A 28 19.208 -23.112 24.266 1.00 16.33 H new ATOM 0 HD13 ILE A 28 19.869 -23.002 22.831 1.00 16.33 H new ATOM 205 N GLU A 29 14.512 -22.063 24.443 1.00 13.36 N ATOM 206 CA GLU A 29 13.735 -21.256 25.331 1.00 16.14 C ATOM 207 C GLU A 29 14.062 -21.357 26.813 1.00 17.18 C ATOM 208 O GLU A 29 14.326 -20.336 27.442 1.00 18.09 O ATOM 209 CB GLU A 29 12.231 -21.372 25.067 1.00 18.32 C ATOM 210 CG GLU A 29 11.353 -20.444 25.957 1.00 37.52 C ATOM 211 CD GLU A 29 9.945 -20.274 25.429 1.00 51.34 C ATOM 212 OE1 GLU A 29 9.414 -21.064 24.655 1.00 74.26 O ATOM 213 OE2 GLU A 29 9.360 -19.187 25.870 1.00 88.39 O ATOM 0 H GLU A 29 14.068 -22.427 23.803 1.00 13.36 H new ATOM 0 HA GLU A 29 14.019 -20.358 25.101 1.00 16.14 H new ATOM 0 HB2 GLU A 29 12.060 -21.166 24.135 1.00 18.32 H new ATOM 0 HB3 GLU A 29 11.958 -22.292 25.209 1.00 18.32 H new ATOM 0 HG2 GLU A 29 11.314 -20.809 26.855 1.00 37.52 H new ATOM 0 HG3 GLU A 29 11.775 -19.573 26.022 1.00 37.52 H new ATOM 214 N PRO A 30 13.986 -22.561 27.377 1.00 19.80 N ATOM 215 CA PRO A 30 14.228 -22.715 28.797 1.00 16.36 C ATOM 216 C PRO A 30 15.608 -22.253 29.207 1.00 23.99 C ATOM 217 O PRO A 30 15.860 -22.022 30.391 1.00 22.17 O ATOM 218 CB PRO A 30 14.087 -24.203 29.118 1.00 17.02 C ATOM 219 CG PRO A 30 14.021 -24.951 27.808 1.00 21.42 C ATOM 220 CD PRO A 30 13.832 -23.902 26.723 1.00 18.50 C ATOM 0 HA PRO A 30 13.591 -22.168 29.283 1.00 16.36 H new ATOM 0 HB2 PRO A 30 14.840 -24.510 29.648 1.00 17.02 H new ATOM 0 HB3 PRO A 30 13.287 -24.364 29.642 1.00 17.02 H new ATOM 0 HG2 PRO A 30 14.834 -25.460 27.659 1.00 21.42 H new ATOM 0 HG3 PRO A 30 13.286 -25.584 27.808 1.00 21.42 H new ATOM 0 HD2 PRO A 30 14.487 -24.017 26.017 1.00 18.50 H new ATOM 0 HD3 PRO A 30 12.957 -23.986 26.314 1.00 18.50 H new ATOM 221 N TYR A 31 16.526 -22.117 28.259 1.00 14.24 N ATOM 222 CA TYR A 31 17.830 -21.688 28.701 1.00 14.08 C ATOM 223 C TYR A 31 18.019 -20.201 28.791 1.00 21.68 C ATOM 224 O TYR A 31 19.053 -19.748 29.256 1.00 20.52 O ATOM 225 CB TYR A 31 18.892 -22.185 27.749 1.00 13.32 C ATOM 226 CG TYR A 31 18.937 -23.681 27.720 1.00 18.68 C ATOM 227 CD1 TYR A 31 18.307 -24.394 26.702 1.00 17.93 C ATOM 228 CD2 TYR A 31 19.657 -24.384 28.687 1.00 22.70 C ATOM 229 CE1 TYR A 31 18.374 -25.786 26.646 1.00 19.68 C ATOM 230 CE2 TYR A 31 19.720 -25.776 28.655 1.00 22.39 C ATOM 231 CZ TYR A 31 19.081 -26.474 27.630 1.00 24.49 C ATOM 232 OH TYR A 31 19.138 -27.833 27.582 1.00 24.47 O ATOM 0 H TYR A 31 16.424 -22.257 27.417 1.00 14.24 H new ATOM 0 HA TYR A 31 17.907 -22.058 29.594 1.00 14.08 H new ATOM 0 HB2 TYR A 31 18.714 -21.847 26.857 1.00 13.32 H new ATOM 0 HB3 TYR A 31 19.757 -21.838 28.016 1.00 13.32 H new ATOM 0 HD1 TYR A 31 17.833 -23.933 26.048 1.00 17.93 H new ATOM 0 HD2 TYR A 31 20.099 -23.919 29.360 1.00 22.70 H new ATOM 0 HE1 TYR A 31 17.951 -26.250 25.960 1.00 19.68 H new ATOM 0 HE2 TYR A 31 20.186 -26.238 29.314 1.00 22.39 H new ATOM 0 HH TYR A 31 19.593 -28.118 28.228 1.00 24.47 H new ATOM 233 N VAL A 32 17.062 -19.436 28.285 1.00 18.84 N ATOM 234 CA VAL A 32 17.202 -17.999 28.241 1.00 17.81 C ATOM 235 C VAL A 32 16.815 -17.348 29.537 1.00 22.51 C ATOM 236 O VAL A 32 15.667 -17.030 29.721 1.00 22.55 O ATOM 237 CB VAL A 32 16.415 -17.409 27.068 1.00 17.92 C ATOM 238 CG1 VAL A 32 16.730 -15.913 26.993 1.00 19.78 C ATOM 239 CG2 VAL A 32 16.776 -18.141 25.758 1.00 14.59 C ATOM 0 H VAL A 32 16.323 -19.735 27.962 1.00 18.84 H new ATOM 0 HA VAL A 32 18.143 -17.809 28.103 1.00 17.81 H new ATOM 0 HB VAL A 32 15.461 -17.527 27.199 1.00 17.92 H new ATOM 0 HG11 VAL A 32 16.241 -15.516 26.255 1.00 19.78 H new ATOM 0 HG12 VAL A 32 16.467 -15.485 27.822 1.00 19.78 H new ATOM 0 HG13 VAL A 32 17.682 -15.789 26.854 1.00 19.78 H new ATOM 0 HG21 VAL A 32 16.271 -17.758 25.023 1.00 14.59 H new ATOM 0 HG22 VAL A 32 17.725 -18.043 25.583 1.00 14.59 H new ATOM 0 HG23 VAL A 32 16.559 -19.083 25.843 1.00 14.59 H new ATOM 240 N LYS A 33 17.768 -17.200 30.451 1.00 22.46 N ATOM 241 CA LYS A 33 17.454 -16.614 31.740 1.00 20.58 C ATOM 242 C LYS A 33 18.543 -15.684 32.205 1.00 18.51 C ATOM 243 O LYS A 33 19.632 -15.682 31.680 1.00 19.24 O ATOM 244 CB LYS A 33 17.085 -17.651 32.795 1.00 26.81 C ATOM 245 CG LYS A 33 17.785 -18.992 32.652 1.00 34.91 C ATOM 0 H LYS A 33 18.590 -17.430 30.344 1.00 22.46 H new ATOM 0 HA LYS A 33 16.655 -16.080 31.612 1.00 20.58 H new ATOM 0 HB2 LYS A 33 17.288 -17.287 33.671 1.00 26.81 H new ATOM 0 HB3 LYS A 33 16.127 -17.797 32.764 1.00 26.81 H new ATOM 246 N PRO A 34 18.285 -14.849 33.184 1.00 18.28 N ATOM 247 CA PRO A 34 19.344 -13.956 33.614 1.00 17.96 C ATOM 248 C PRO A 34 20.538 -14.753 34.104 1.00 23.81 C ATOM 249 O PRO A 34 20.358 -15.789 34.750 1.00 24.81 O ATOM 250 CB PRO A 34 18.788 -13.129 34.765 1.00 19.51 C ATOM 251 CG PRO A 34 17.295 -13.427 34.804 1.00 24.73 C ATOM 252 CD PRO A 34 17.047 -14.674 33.970 1.00 22.50 C ATOM 0 HA PRO A 34 19.634 -13.394 32.878 1.00 17.96 H new ATOM 0 HB2 PRO A 34 19.213 -13.369 35.603 1.00 19.51 H new ATOM 0 HB3 PRO A 34 18.951 -12.183 34.625 1.00 19.51 H new ATOM 0 HG2 PRO A 34 17.000 -13.565 35.718 1.00 24.73 H new ATOM 0 HG3 PRO A 34 16.790 -12.677 34.453 1.00 24.73 H new ATOM 0 HD2 PRO A 34 16.874 -15.445 34.532 1.00 22.50 H new ATOM 0 HD3 PRO A 34 16.275 -14.565 33.393 1.00 22.50 H new ATOM 253 N GLY A 35 21.747 -14.274 33.781 1.00 21.68 N ATOM 254 CA GLY A 35 22.960 -14.949 34.205 1.00 19.92 C ATOM 255 C GLY A 35 23.561 -15.848 33.136 1.00 27.16 C ATOM 256 O GLY A 35 24.726 -16.250 33.223 1.00 24.92 O ATOM 0 H GLY A 35 21.877 -13.561 33.318 1.00 21.68 H new ATOM 0 HA2 GLY A 35 23.617 -14.284 34.465 1.00 19.92 H new ATOM 0 HA3 GLY A 35 22.767 -15.481 34.993 1.00 19.92 H new ATOM 257 N VAL A 36 22.788 -16.195 32.110 1.00 18.44 N ATOM 258 CA VAL A 36 23.407 -17.022 31.077 1.00 18.82 C ATOM 259 C VAL A 36 24.163 -16.122 30.091 1.00 17.49 C ATOM 260 O VAL A 36 23.786 -14.958 29.841 1.00 21.35 O ATOM 261 CB VAL A 36 22.426 -17.931 30.328 1.00 27.96 C ATOM 262 CG1 VAL A 36 21.643 -18.771 31.311 1.00 32.55 C ATOM 263 CG2 VAL A 36 21.453 -17.069 29.544 1.00 29.58 C ATOM 0 H VAL A 36 21.963 -15.982 31.994 1.00 18.44 H new ATOM 0 HA VAL A 36 24.019 -17.622 31.532 1.00 18.82 H new ATOM 0 HB VAL A 36 22.924 -18.511 29.731 1.00 27.96 H new ATOM 0 HG11 VAL A 36 21.025 -19.343 30.829 1.00 32.55 H new ATOM 0 HG12 VAL A 36 22.254 -19.319 31.827 1.00 32.55 H new ATOM 0 HG13 VAL A 36 21.146 -18.191 31.909 1.00 32.55 H new ATOM 0 HG21 VAL A 36 20.829 -17.638 29.067 1.00 29.58 H new ATOM 0 HG22 VAL A 36 20.965 -16.494 30.154 1.00 29.58 H new ATOM 0 HG23 VAL A 36 21.943 -16.523 28.909 1.00 29.58 H new ATOM 264 N SER A 37 25.262 -16.654 29.538 1.00 15.74 N ATOM 265 CA SER A 37 26.028 -15.900 28.561 1.00 14.91 C ATOM 266 C SER A 37 25.502 -16.221 27.147 1.00 16.93 C ATOM 267 O SER A 37 24.883 -17.275 26.927 1.00 21.12 O ATOM 268 CB SER A 37 27.524 -16.229 28.611 1.00 16.16 C ATOM 269 OG SER A 37 27.807 -17.529 28.086 1.00 19.26 O ATOM 0 H SER A 37 25.570 -17.437 29.717 1.00 15.74 H new ATOM 0 HA SER A 37 25.920 -14.959 28.772 1.00 14.91 H new ATOM 0 HB2 SER A 37 28.017 -15.563 28.106 1.00 16.16 H new ATOM 0 HB3 SER A 37 27.835 -16.177 29.528 1.00 16.16 H new ATOM 0 HG SER A 37 28.625 -17.696 28.178 1.00 19.26 H new ATOM 270 N THR A 38 25.768 -15.341 26.196 1.00 14.20 N ATOM 271 CA THR A 38 25.341 -15.627 24.827 1.00 18.45 C ATOM 272 C THR A 38 26.239 -16.710 24.228 1.00 20.21 C ATOM 273 O THR A 38 25.817 -17.451 23.332 1.00 15.55 O ATOM 274 CB THR A 38 25.336 -14.400 23.908 1.00 15.32 C ATOM 275 OG1 THR A 38 26.624 -13.793 23.878 1.00 20.29 O ATOM 276 CG2 THR A 38 24.228 -13.422 24.299 1.00 17.04 C ATOM 0 H THR A 38 26.180 -14.595 26.310 1.00 14.20 H new ATOM 0 HA THR A 38 24.421 -15.929 24.885 1.00 18.45 H new ATOM 0 HB THR A 38 25.138 -14.688 23.003 1.00 15.32 H new ATOM 0 HG1 THR A 38 26.630 -13.176 23.308 1.00 20.29 H new ATOM 0 HG21 THR A 38 24.247 -12.657 23.703 1.00 17.04 H new ATOM 0 HG22 THR A 38 23.367 -13.864 24.230 1.00 17.04 H new ATOM 0 HG23 THR A 38 24.366 -13.124 25.212 1.00 17.04 H new ATOM 277 N GLY A 39 27.486 -16.807 24.737 1.00 17.57 N ATOM 278 CA GLY A 39 28.415 -17.828 24.260 1.00 16.54 C ATOM 279 C GLY A 39 27.863 -19.211 24.554 1.00 19.64 C ATOM 280 O GLY A 39 27.892 -20.124 23.724 1.00 17.83 O ATOM 0 H GLY A 39 27.800 -16.293 25.351 1.00 17.57 H new ATOM 0 HA2 GLY A 39 28.559 -17.725 23.306 1.00 16.54 H new ATOM 0 HA3 GLY A 39 29.277 -17.718 24.690 1.00 16.54 H new ATOM 281 N GLU A 40 27.319 -19.389 25.768 1.00 20.88 N ATOM 282 CA GLU A 40 26.716 -20.671 26.147 1.00 17.51 C ATOM 283 C GLU A 40 25.496 -21.025 25.268 1.00 16.02 C ATOM 284 O GLU A 40 25.314 -22.176 24.877 1.00 17.59 O ATOM 285 CB GLU A 40 26.253 -20.694 27.634 1.00 17.41 C ATOM 286 CG GLU A 40 27.377 -20.385 28.625 1.00 52.33 C ATOM 287 CD GLU A 40 26.854 -20.467 30.027 1.00 88.27 C ATOM 288 OE1 GLU A 40 26.279 -19.552 30.580 1.00 38.24 O ATOM 289 OE2 GLU A 40 27.018 -21.649 30.558 1.00100.00 O ATOM 0 H GLU A 40 27.291 -18.784 26.379 1.00 20.88 H new ATOM 0 HA GLU A 40 27.419 -21.326 26.015 1.00 17.51 H new ATOM 0 HB2 GLU A 40 25.539 -20.048 27.753 1.00 17.41 H new ATOM 0 HB3 GLU A 40 25.883 -21.567 27.837 1.00 17.41 H new ATOM 0 HG2 GLU A 40 28.106 -21.013 28.506 1.00 52.33 H new ATOM 0 HG3 GLU A 40 27.735 -19.499 28.456 1.00 52.33 H new ATOM 290 N LEU A 41 24.639 -20.036 24.977 1.00 13.23 N ATOM 291 CA LEU A 41 23.451 -20.280 24.149 1.00 12.81 C ATOM 292 C LEU A 41 23.854 -20.765 22.773 1.00 18.80 C ATOM 293 O LEU A 41 23.237 -21.676 22.192 1.00 14.43 O ATOM 294 CB LEU A 41 22.576 -19.037 24.022 1.00 14.08 C ATOM 295 CG LEU A 41 21.926 -18.636 25.352 1.00 19.19 C ATOM 296 CD1 LEU A 41 21.198 -17.305 25.210 1.00 18.03 C ATOM 297 CD2 LEU A 41 20.964 -19.717 25.859 1.00 17.25 C ATOM 0 H LEU A 41 24.727 -19.224 25.247 1.00 13.23 H new ATOM 0 HA LEU A 41 22.930 -20.966 24.594 1.00 12.81 H new ATOM 0 HB2 LEU A 41 23.113 -18.299 23.693 1.00 14.08 H new ATOM 0 HB3 LEU A 41 21.883 -19.199 23.363 1.00 14.08 H new ATOM 0 HG LEU A 41 22.635 -18.539 26.007 1.00 19.19 H new ATOM 0 HD11 LEU A 41 20.793 -17.065 26.058 1.00 18.03 H new ATOM 0 HD12 LEU A 41 21.829 -16.617 24.948 1.00 18.03 H new ATOM 0 HD13 LEU A 41 20.508 -17.384 24.533 1.00 18.03 H new ATOM 0 HD21 LEU A 41 20.571 -19.433 26.699 1.00 17.25 H new ATOM 0 HD22 LEU A 41 20.261 -19.858 25.205 1.00 17.25 H new ATOM 0 HD23 LEU A 41 21.450 -20.546 25.994 1.00 17.25 H new ATOM 298 N ASP A 42 24.909 -20.139 22.264 1.00 17.14 N ATOM 299 CA ASP A 42 25.445 -20.506 20.952 1.00 16.48 C ATOM 300 C ASP A 42 25.937 -21.975 20.975 1.00 26.00 C ATOM 301 O ASP A 42 25.706 -22.776 20.039 1.00 14.92 O ATOM 302 CB ASP A 42 26.578 -19.550 20.510 1.00 13.48 C ATOM 303 CG ASP A 42 27.205 -19.986 19.215 1.00 25.34 C ATOM 304 OD1 ASP A 42 26.679 -19.816 18.113 1.00 19.06 O ATOM 305 OD2 ASP A 42 28.344 -20.615 19.400 1.00 23.76 O ATOM 0 H ASP A 42 25.330 -19.501 22.658 1.00 17.14 H new ATOM 0 HA ASP A 42 24.732 -20.423 20.300 1.00 16.48 H new ATOM 0 HB2 ASP A 42 26.224 -18.652 20.411 1.00 13.48 H new ATOM 0 HB3 ASP A 42 27.257 -19.512 21.201 1.00 13.48 H new ATOM 306 N ARG A 43 26.648 -22.357 22.053 1.00 19.69 N ATOM 307 CA ARG A 43 27.132 -23.737 22.149 1.00 20.08 C ATOM 308 C ARG A 43 25.995 -24.740 22.201 1.00 17.97 C ATOM 309 O ARG A 43 26.019 -25.781 21.547 1.00 19.90 O ATOM 310 CB ARG A 43 27.999 -23.981 23.378 1.00 22.06 C ATOM 311 CG ARG A 43 29.422 -23.461 23.256 1.00 46.38 C ATOM 312 CD ARG A 43 30.268 -23.881 24.458 1.00 54.64 C ATOM 313 NE ARG A 43 29.889 -23.157 25.666 1.00 57.57 N ATOM 314 CZ ARG A 43 30.293 -21.913 25.874 1.00 58.71 C ATOM 315 NH1 ARG A 43 29.962 -21.222 26.970 1.00 62.34 N ATOM 316 NH2 ARG A 43 31.071 -21.361 24.940 1.00 31.26 N ATOM 0 H ARG A 43 26.852 -21.848 22.715 1.00 19.69 H new ATOM 0 HA ARG A 43 27.661 -23.862 21.346 1.00 20.08 H new ATOM 0 HB2 ARG A 43 27.578 -23.563 24.145 1.00 22.06 H new ATOM 0 HB3 ARG A 43 28.029 -24.934 23.555 1.00 22.06 H new ATOM 0 HG2 ARG A 43 29.824 -23.799 22.440 1.00 46.38 H new ATOM 0 HG3 ARG A 43 29.411 -22.494 23.187 1.00 46.38 H new ATOM 0 HD2 ARG A 43 30.167 -24.834 24.607 1.00 54.64 H new ATOM 0 HD3 ARG A 43 31.205 -23.721 24.266 1.00 54.64 H new ATOM 0 HE ARG A 43 29.395 -23.545 26.253 1.00 57.57 H new ATOM 0 HH11 ARG A 43 29.468 -21.584 27.574 1.00 62.34 H new ATOM 0 HH12 ARG A 43 30.243 -20.416 27.071 1.00 62.34 H new ATOM 0 HH21 ARG A 43 31.289 -21.811 24.241 1.00 31.26 H new ATOM 0 HH22 ARG A 43 31.354 -20.555 25.038 1.00 31.26 H new ATOM 317 N ILE A 44 24.982 -24.438 23.004 1.00 14.10 N ATOM 318 CA ILE A 44 23.867 -25.347 23.100 1.00 14.85 C ATOM 319 C ILE A 44 23.214 -25.523 21.739 1.00 19.80 C ATOM 320 O ILE A 44 22.871 -26.627 21.320 1.00 18.33 O ATOM 321 CB ILE A 44 22.869 -24.867 24.131 1.00 20.24 C ATOM 322 CG1 ILE A 44 23.493 -24.874 25.522 1.00 19.65 C ATOM 323 CG2 ILE A 44 21.595 -25.715 24.129 1.00 18.22 C ATOM 324 CD1 ILE A 44 22.611 -24.138 26.509 1.00 15.63 C ATOM 0 H ILE A 44 24.926 -23.729 23.488 1.00 14.10 H new ATOM 0 HA ILE A 44 24.195 -26.212 23.392 1.00 14.85 H new ATOM 0 HB ILE A 44 22.624 -23.959 23.893 1.00 20.24 H new ATOM 0 HG12 ILE A 44 23.624 -25.788 25.818 1.00 19.65 H new ATOM 0 HG13 ILE A 44 24.369 -24.458 25.491 1.00 19.65 H new ATOM 0 HG21 ILE A 44 20.981 -25.379 24.800 1.00 18.22 H new ATOM 0 HG22 ILE A 44 21.176 -25.668 23.255 1.00 18.22 H new ATOM 0 HG23 ILE A 44 21.819 -26.637 24.330 1.00 18.22 H new ATOM 0 HD11 ILE A 44 23.024 -24.153 27.386 1.00 15.63 H new ATOM 0 HD12 ILE A 44 22.499 -23.219 26.221 1.00 15.63 H new ATOM 0 HD13 ILE A 44 21.744 -24.570 26.553 1.00 15.63 H new ATOM 325 N CYS A 45 23.018 -24.416 21.053 1.00 14.34 N ATOM 326 CA CYS A 45 22.384 -24.469 19.738 1.00 15.31 C ATOM 327 C CYS A 45 23.198 -25.305 18.774 1.00 20.44 C ATOM 328 O CYS A 45 22.671 -26.175 18.077 1.00 22.34 O ATOM 329 CB CYS A 45 22.206 -23.061 19.155 1.00 14.15 C ATOM 330 SG CYS A 45 20.813 -22.167 19.878 1.00 16.00 S ATOM 0 H CYS A 45 23.239 -23.629 21.320 1.00 14.34 H new ATOM 0 HA CYS A 45 21.513 -24.878 19.857 1.00 15.31 H new ATOM 0 HB2 CYS A 45 23.019 -22.552 19.298 1.00 14.15 H new ATOM 0 HB3 CYS A 45 22.078 -23.128 18.196 1.00 14.15 H new ATOM 0 HG CYS A 45 21.152 -21.668 20.915 1.00 16.00 H new ATOM 331 N ASN A 46 24.491 -25.043 18.734 1.00 13.60 N ATOM 332 CA ASN A 46 25.383 -25.756 17.849 1.00 17.18 C ATOM 333 C ASN A 46 25.384 -27.271 18.059 1.00 24.33 C ATOM 334 O ASN A 46 25.369 -28.086 17.138 1.00 20.31 O ATOM 335 CB ASN A 46 26.811 -25.217 17.989 1.00 16.36 C ATOM 336 CG ASN A 46 27.662 -25.944 16.982 1.00 43.16 C ATOM 337 OD1 ASN A 46 28.478 -26.794 17.349 1.00 52.96 O ATOM 338 ND2 ASN A 46 27.368 -25.704 15.703 1.00 28.07 N ATOM 0 H ASN A 46 24.875 -24.446 19.220 1.00 13.60 H new ATOM 0 HA ASN A 46 25.047 -25.601 16.952 1.00 17.18 H new ATOM 0 HB2 ASN A 46 26.833 -24.261 17.829 1.00 16.36 H new ATOM 0 HB3 ASN A 46 27.145 -25.362 18.888 1.00 16.36 H new ATOM 0 HD21 ASN A 46 27.756 -26.154 15.081 1.00 28.07 H new ATOM 0 HD22 ASN A 46 26.791 -25.099 15.501 1.00 28.07 H new ATOM 339 N ASP A 47 25.410 -27.660 19.319 1.00 21.60 N ATOM 340 CA ASP A 47 25.417 -29.059 19.651 1.00 22.16 C ATOM 341 C ASP A 47 24.186 -29.768 19.131 1.00 22.69 C ATOM 342 O ASP A 47 24.249 -30.867 18.568 1.00 22.87 O ATOM 343 CB ASP A 47 25.524 -29.241 21.186 1.00 26.77 C ATOM 344 CG ASP A 47 26.903 -28.890 21.722 1.00 69.77 C ATOM 345 OD1 ASP A 47 27.899 -28.831 21.019 1.00 66.01 O ATOM 346 OD2 ASP A 47 26.923 -28.637 23.013 1.00 91.35 O ATOM 0 H ASP A 47 25.424 -27.127 19.994 1.00 21.60 H new ATOM 0 HA ASP A 47 26.190 -29.458 19.222 1.00 22.16 H new ATOM 0 HB2 ASP A 47 24.860 -28.684 21.621 1.00 26.77 H new ATOM 0 HB3 ASP A 47 25.316 -30.161 21.414 1.00 26.77 H new ATOM 347 N TYR A 48 23.046 -29.124 19.363 1.00 18.24 N ATOM 348 CA TYR A 48 21.742 -29.655 18.978 1.00 18.60 C ATOM 349 C TYR A 48 21.662 -29.842 17.475 1.00 18.22 C ATOM 350 O TYR A 48 21.298 -30.886 16.954 1.00 17.88 O ATOM 351 CB TYR A 48 20.650 -28.672 19.448 1.00 19.25 C ATOM 352 CG TYR A 48 19.283 -29.245 19.342 1.00 19.64 C ATOM 353 CD1 TYR A 48 18.435 -28.874 18.295 1.00 20.51 C ATOM 354 CD2 TYR A 48 18.831 -30.167 20.288 1.00 23.97 C ATOM 355 CE1 TYR A 48 17.158 -29.427 18.190 1.00 21.57 C ATOM 356 CE2 TYR A 48 17.555 -30.732 20.199 1.00 24.63 C ATOM 357 CZ TYR A 48 16.720 -30.346 19.147 1.00 28.08 C ATOM 358 OH TYR A 48 15.469 -30.880 19.047 1.00 30.97 O ATOM 0 H TYR A 48 23.007 -28.358 19.753 1.00 18.24 H new ATOM 0 HA TYR A 48 21.611 -30.521 19.395 1.00 18.60 H new ATOM 0 HB2 TYR A 48 20.821 -28.420 20.369 1.00 19.25 H new ATOM 0 HB3 TYR A 48 20.699 -27.861 18.918 1.00 19.25 H new ATOM 0 HD1 TYR A 48 18.724 -28.255 17.664 1.00 20.51 H new ATOM 0 HD2 TYR A 48 19.389 -30.410 20.991 1.00 23.97 H new ATOM 0 HE1 TYR A 48 16.601 -29.185 17.486 1.00 21.57 H new ATOM 0 HE2 TYR A 48 17.267 -31.353 20.828 1.00 24.63 H new ATOM 0 HH TYR A 48 15.299 -31.046 18.241 1.00 30.97 H new ATOM 359 N ILE A 49 22.039 -28.787 16.785 1.00 15.19 N ATOM 360 CA ILE A 49 22.035 -28.789 15.324 1.00 16.01 C ATOM 361 C ILE A 49 22.854 -29.943 14.751 1.00 21.17 C ATOM 362 O ILE A 49 22.407 -30.705 13.889 1.00 21.85 O ATOM 363 CB ILE A 49 22.494 -27.413 14.757 1.00 14.03 C ATOM 364 CG1 ILE A 49 21.376 -26.356 14.940 1.00 13.37 C ATOM 365 CG2 ILE A 49 22.795 -27.511 13.267 1.00 17.70 C ATOM 366 CD1 ILE A 49 21.849 -24.917 14.774 1.00 13.29 C ATOM 0 H ILE A 49 22.304 -28.050 17.140 1.00 15.19 H new ATOM 0 HA ILE A 49 21.119 -28.931 15.038 1.00 16.01 H new ATOM 0 HB ILE A 49 23.293 -27.154 15.241 1.00 14.03 H new ATOM 0 HG12 ILE A 49 20.670 -26.531 14.298 1.00 13.37 H new ATOM 0 HG13 ILE A 49 20.988 -26.459 15.823 1.00 13.37 H new ATOM 0 HG21 ILE A 49 23.078 -26.644 12.936 1.00 17.70 H new ATOM 0 HG22 ILE A 49 23.502 -28.159 13.121 1.00 17.70 H new ATOM 0 HG23 ILE A 49 21.997 -27.792 12.793 1.00 17.70 H new ATOM 0 HD11 ILE A 49 21.100 -24.313 14.901 1.00 13.29 H new ATOM 0 HD12 ILE A 49 22.535 -24.724 15.432 1.00 13.29 H new ATOM 0 HD13 ILE A 49 22.213 -24.797 13.883 1.00 13.29 H new ATOM 367 N VAL A 50 24.082 -30.047 15.221 1.00 16.19 N ATOM 368 CA VAL A 50 25.015 -31.050 14.751 1.00 20.45 C ATOM 369 C VAL A 50 24.805 -32.458 15.255 1.00 23.25 C ATOM 370 O VAL A 50 24.848 -33.401 14.480 1.00 24.60 O ATOM 371 CB VAL A 50 26.452 -30.684 15.121 1.00 29.88 C ATOM 372 CG1 VAL A 50 27.324 -31.898 14.846 1.00 33.39 C ATOM 373 CG2 VAL A 50 26.941 -29.513 14.286 1.00 32.61 C ATOM 0 H VAL A 50 24.402 -29.531 15.830 1.00 16.19 H new ATOM 0 HA VAL A 50 24.848 -31.050 13.795 1.00 20.45 H new ATOM 0 HB VAL A 50 26.495 -30.427 16.055 1.00 29.88 H new ATOM 0 HG11 VAL A 50 28.245 -31.693 15.073 1.00 33.39 H new ATOM 0 HG12 VAL A 50 27.018 -32.645 15.383 1.00 33.39 H new ATOM 0 HG13 VAL A 50 27.267 -32.131 13.906 1.00 33.39 H new ATOM 0 HG21 VAL A 50 27.853 -29.296 14.535 1.00 32.61 H new ATOM 0 HG22 VAL A 50 26.911 -29.751 13.346 1.00 32.61 H new ATOM 0 HG23 VAL A 50 26.372 -28.743 14.443 1.00 32.61 H new ATOM 374 N ASN A 51 24.636 -32.590 16.565 1.00 19.58 N ATOM 375 CA ASN A 51 24.517 -33.891 17.199 1.00 17.72 C ATOM 376 C ASN A 51 23.147 -34.512 17.234 1.00 26.03 C ATOM 377 O ASN A 51 22.995 -35.729 17.162 1.00 29.86 O ATOM 378 CB ASN A 51 25.108 -33.883 18.628 1.00 25.00 C ATOM 379 CG ASN A 51 26.526 -33.332 18.733 1.00 41.04 C ATOM 380 OD1 ASN A 51 27.384 -33.584 17.875 1.00 35.40 O ATOM 381 ND2 ASN A 51 26.776 -32.589 19.812 1.00 41.60 N ATOM 0 H ASN A 51 24.587 -31.926 17.110 1.00 19.58 H new ATOM 0 HA ASN A 51 25.035 -34.458 16.606 1.00 17.72 H new ATOM 0 HB2 ASN A 51 24.528 -33.358 19.201 1.00 25.00 H new ATOM 0 HB3 ASN A 51 25.101 -34.790 18.972 1.00 25.00 H new ATOM 0 HD21 ASN A 51 27.561 -32.261 19.936 1.00 41.60 H new ATOM 0 HD22 ASN A 51 26.152 -32.438 20.384 1.00 41.60 H new ATOM 382 N GLU A 52 22.133 -33.703 17.378 1.00 18.25 N ATOM 383 CA GLU A 52 20.802 -34.287 17.416 1.00 19.50 C ATOM 384 C GLU A 52 20.153 -34.216 16.054 1.00 23.00 C ATOM 385 O GLU A 52 19.681 -35.177 15.488 1.00 23.78 O ATOM 386 CB GLU A 52 19.879 -33.553 18.414 1.00 22.57 C ATOM 387 CG GLU A 52 20.424 -33.444 19.839 1.00 21.31 C ATOM 388 CD GLU A 52 20.160 -34.695 20.616 1.00 43.50 C ATOM 389 OE1 GLU A 52 19.455 -35.608 20.209 1.00 35.23 O ATOM 390 OE2 GLU A 52 20.796 -34.704 21.754 1.00 42.56 O ATOM 0 H GLU A 52 22.176 -32.847 17.454 1.00 18.25 H new ATOM 0 HA GLU A 52 20.913 -35.209 17.697 1.00 19.50 H new ATOM 0 HB2 GLU A 52 19.708 -32.659 18.078 1.00 22.57 H new ATOM 0 HB3 GLU A 52 19.026 -34.013 18.443 1.00 22.57 H new ATOM 0 HG2 GLU A 52 21.378 -33.273 19.811 1.00 21.31 H new ATOM 0 HG3 GLU A 52 20.014 -32.689 20.288 1.00 21.31 H new ATOM 391 N GLN A 53 20.113 -33.032 15.499 1.00 18.46 N ATOM 392 CA GLN A 53 19.486 -32.893 14.217 1.00 14.99 C ATOM 393 C GLN A 53 20.292 -33.444 13.061 1.00 22.10 C ATOM 394 O GLN A 53 19.757 -33.642 11.969 1.00 27.86 O ATOM 395 CB GLN A 53 19.222 -31.392 13.960 1.00 12.89 C ATOM 396 CG GLN A 53 18.182 -30.820 14.922 1.00 15.13 C ATOM 397 CD GLN A 53 17.805 -29.422 14.483 1.00 19.10 C ATOM 398 OE1 GLN A 53 18.604 -28.702 13.899 1.00 20.43 O ATOM 399 NE2 GLN A 53 16.579 -29.036 14.730 1.00 18.84 N ATOM 0 H GLN A 53 20.435 -32.311 15.839 1.00 18.46 H new ATOM 0 HA GLN A 53 18.669 -33.415 14.254 1.00 14.99 H new ATOM 0 HB2 GLN A 53 20.052 -30.898 14.052 1.00 12.89 H new ATOM 0 HB3 GLN A 53 18.918 -31.270 13.047 1.00 12.89 H new ATOM 0 HG2 GLN A 53 17.396 -31.388 14.938 1.00 15.13 H new ATOM 0 HG3 GLN A 53 18.537 -30.801 15.824 1.00 15.13 H new ATOM 0 HE21 GLN A 53 16.037 -29.562 15.142 1.00 18.84 H new ATOM 0 HE22 GLN A 53 16.315 -28.257 14.480 1.00 18.84 H new ATOM 400 N HIS A 54 21.581 -33.637 13.238 1.00 15.53 N ATOM 401 CA HIS A 54 22.378 -34.072 12.118 1.00 21.25 C ATOM 402 C HIS A 54 22.319 -33.084 10.957 1.00 27.19 C ATOM 403 O HIS A 54 22.330 -33.481 9.788 1.00 27.02 O ATOM 404 CB HIS A 54 22.130 -35.526 11.665 1.00 29.82 C ATOM 405 CG HIS A 54 22.387 -36.442 12.811 1.00 44.37 C ATOM 406 ND1 HIS A 54 23.683 -36.718 13.237 1.00 52.72 N ATOM 407 CD2 HIS A 54 21.514 -37.067 13.646 1.00 56.72 C ATOM 408 CE1 HIS A 54 23.573 -37.512 14.298 1.00 58.03 C ATOM 409 NE2 HIS A 54 22.286 -37.746 14.568 1.00 59.28 N ATOM 0 H HIS A 54 22.005 -33.525 13.978 1.00 15.53 H new ATOM 0 HA HIS A 54 23.288 -34.080 12.454 1.00 21.25 H new ATOM 0 HB2 HIS A 54 21.217 -35.628 11.352 1.00 29.82 H new ATOM 0 HB3 HIS A 54 22.711 -35.749 10.921 1.00 29.82 H new ATOM 0 HD2 HIS A 54 20.585 -37.042 13.604 1.00 56.72 H new ATOM 0 HE1 HIS A 54 24.289 -37.855 14.782 1.00 58.03 H new ATOM 0 HE2 HIS A 54 21.988 -38.237 15.208 1.00 59.28 H new ATOM 410 N ALA A 55 22.259 -31.786 11.282 1.00 19.39 N ATOM 411 CA ALA A 55 22.252 -30.762 10.266 1.00 16.90 C ATOM 412 C ALA A 55 23.506 -29.903 10.392 1.00 22.48 C ATOM 413 O ALA A 55 24.455 -30.263 11.079 1.00 21.98 O ATOM 414 CB ALA A 55 20.987 -29.919 10.282 1.00 16.99 C ATOM 0 H ALA A 55 22.222 -31.491 12.089 1.00 19.39 H new ATOM 0 HA ALA A 55 22.257 -31.204 9.402 1.00 16.90 H new ATOM 0 HB1 ALA A 55 21.035 -29.249 9.582 1.00 16.99 H new ATOM 0 HB2 ALA A 55 20.216 -30.489 10.132 1.00 16.99 H new ATOM 0 HB3 ALA A 55 20.901 -29.480 11.143 1.00 16.99 H new ATOM 415 N VAL A 56 23.509 -28.757 9.731 1.00 15.22 N ATOM 416 CA VAL A 56 24.647 -27.898 9.785 1.00 15.35 C ATOM 417 C VAL A 56 24.204 -26.434 9.918 1.00 18.21 C ATOM 418 O VAL A 56 23.156 -26.078 9.409 1.00 20.41 O ATOM 419 CB VAL A 56 25.387 -28.217 8.491 1.00 25.15 C ATOM 420 CG1 VAL A 56 26.063 -27.014 7.882 1.00 26.86 C ATOM 421 CG2 VAL A 56 26.408 -29.292 8.826 1.00 29.40 C ATOM 0 H VAL A 56 22.858 -28.469 9.249 1.00 15.22 H new ATOM 0 HA VAL A 56 25.224 -28.035 10.553 1.00 15.35 H new ATOM 0 HB VAL A 56 24.751 -28.517 7.823 1.00 25.15 H new ATOM 0 HG11 VAL A 56 26.516 -27.276 7.065 1.00 26.86 H new ATOM 0 HG12 VAL A 56 25.398 -26.337 7.680 1.00 26.86 H new ATOM 0 HG13 VAL A 56 26.710 -26.655 8.509 1.00 26.86 H new ATOM 0 HG21 VAL A 56 26.905 -29.527 8.027 1.00 29.40 H new ATOM 0 HG22 VAL A 56 27.020 -28.958 9.500 1.00 29.40 H new ATOM 0 HG23 VAL A 56 25.951 -30.078 9.165 1.00 29.40 H new ATOM 422 N SER A 57 24.979 -25.588 10.618 1.00 13.66 N ATOM 423 CA SER A 57 24.611 -24.194 10.735 1.00 16.73 C ATOM 424 C SER A 57 25.071 -23.473 9.477 1.00 20.21 C ATOM 425 O SER A 57 26.232 -23.569 9.120 1.00 19.52 O ATOM 426 CB SER A 57 25.228 -23.498 11.951 1.00 18.03 C ATOM 427 OG SER A 57 25.504 -22.123 11.647 1.00 18.58 O ATOM 0 H SER A 57 25.706 -25.809 11.021 1.00 13.66 H new ATOM 0 HA SER A 57 23.648 -24.159 10.849 1.00 16.73 H new ATOM 0 HB2 SER A 57 24.622 -23.554 12.706 1.00 18.03 H new ATOM 0 HB3 SER A 57 26.046 -23.950 12.210 1.00 18.03 H new ATOM 0 HG SER A 57 25.246 -21.638 12.282 1.00 18.58 H new ATOM 428 N ALA A 58 24.200 -22.720 8.827 1.00 16.90 N ATOM 429 CA ALA A 58 24.668 -22.027 7.644 1.00 19.44 C ATOM 430 C ALA A 58 25.529 -20.836 7.996 1.00 26.90 C ATOM 431 O ALA A 58 26.209 -20.276 7.127 1.00 21.71 O ATOM 432 CB ALA A 58 23.513 -21.564 6.751 1.00 19.55 C ATOM 0 H ALA A 58 23.375 -22.600 9.040 1.00 16.90 H new ATOM 0 HA ALA A 58 25.202 -22.671 7.153 1.00 19.44 H new ATOM 0 HB1 ALA A 58 23.869 -21.106 5.973 1.00 19.55 H new ATOM 0 HB2 ALA A 58 22.996 -22.334 6.465 1.00 19.55 H new ATOM 0 HB3 ALA A 58 22.942 -20.958 7.249 1.00 19.55 H new ATOM 433 N CYS A 59 25.478 -20.415 9.258 1.00 17.82 N ATOM 434 CA CYS A 59 26.238 -19.217 9.628 1.00 25.28 C ATOM 435 C CYS A 59 27.746 -19.389 9.826 1.00 19.65 C ATOM 436 O CYS A 59 28.542 -18.515 9.477 1.00 19.62 O ATOM 437 CB CYS A 59 25.622 -18.490 10.857 1.00 27.55 C ATOM 438 SG CYS A 59 23.889 -18.020 10.631 1.00 30.66 S ATOM 0 H CYS A 59 25.031 -20.787 9.892 1.00 17.82 H new ATOM 0 HA CYS A 59 26.154 -18.667 8.833 1.00 25.28 H new ATOM 0 HB2 CYS A 59 25.694 -19.067 11.633 1.00 27.55 H new ATOM 0 HB3 CYS A 59 26.143 -17.694 11.046 1.00 27.55 H new ATOM 0 HG CYS A 59 23.491 -17.469 11.620 1.00 30.66 H new ATOM 439 N LEU A 60 28.104 -20.513 10.422 1.00 19.19 N ATOM 440 CA LEU A 60 29.470 -20.849 10.756 1.00 18.10 C ATOM 441 C LEU A 60 30.354 -20.823 9.529 1.00 28.85 C ATOM 442 O LEU A 60 30.206 -21.662 8.638 1.00 31.18 O ATOM 443 CB LEU A 60 29.437 -22.233 11.420 1.00 21.17 C ATOM 444 CG LEU A 60 30.736 -22.696 12.074 1.00 30.69 C ATOM 445 CD1 LEU A 60 31.500 -21.519 12.674 1.00 28.95 C ATOM 446 CD2 LEU A 60 30.367 -23.690 13.170 1.00 41.67 C ATOM 0 H LEU A 60 27.539 -21.120 10.650 1.00 19.19 H new ATOM 0 HA LEU A 60 29.851 -20.198 11.365 1.00 18.10 H new ATOM 0 HB2 LEU A 60 28.740 -22.231 12.094 1.00 21.17 H new ATOM 0 HB3 LEU A 60 29.183 -22.887 10.750 1.00 21.17 H new ATOM 0 HG LEU A 60 31.312 -23.107 11.410 1.00 30.69 H new ATOM 0 HD11 LEU A 60 32.319 -21.839 13.082 1.00 28.95 H new ATOM 0 HD12 LEU A 60 31.715 -20.882 11.975 1.00 28.95 H new ATOM 0 HD13 LEU A 60 30.952 -21.086 13.347 1.00 28.95 H new ATOM 0 HD21 LEU A 60 31.174 -24.005 13.607 1.00 41.67 H new ATOM 0 HD22 LEU A 60 29.795 -23.256 13.822 1.00 41.67 H new ATOM 0 HD23 LEU A 60 29.897 -24.443 12.779 1.00 41.67 H new ATOM 447 N GLY A 61 31.240 -19.828 9.462 1.00 22.27 N ATOM 448 CA GLY A 61 32.132 -19.697 8.325 1.00 22.19 C ATOM 449 C GLY A 61 31.644 -18.801 7.187 1.00 24.17 C ATOM 450 O GLY A 61 32.415 -18.455 6.298 1.00 27.38 O ATOM 0 H GLY A 61 31.336 -19.223 10.066 1.00 22.27 H new ATOM 0 HA2 GLY A 61 32.982 -19.353 8.642 1.00 22.19 H new ATOM 0 HA3 GLY A 61 32.301 -20.582 7.966 1.00 22.19 H new ATOM 451 N TYR A 62 30.368 -18.440 7.195 1.00 23.23 N ATOM 452 CA TYR A 62 29.818 -17.594 6.135 1.00 24.04 C ATOM 453 C TYR A 62 30.519 -16.252 6.135 1.00 23.34 C ATOM 454 O TYR A 62 30.411 -15.462 7.084 1.00 22.57 O ATOM 455 CB TYR A 62 28.321 -17.441 6.377 1.00 22.62 C ATOM 456 CG TYR A 62 27.613 -16.672 5.304 1.00 29.30 C ATOM 457 CD1 TYR A 62 27.388 -17.267 4.064 1.00 33.85 C ATOM 458 CD2 TYR A 62 27.113 -15.391 5.533 1.00 33.05 C ATOM 459 CE1 TYR A 62 26.708 -16.605 3.042 1.00 32.08 C ATOM 460 CE2 TYR A 62 26.434 -14.710 4.518 1.00 35.00 C ATOM 461 CZ TYR A 62 26.237 -15.316 3.277 1.00 42.43 C ATOM 462 OH TYR A 62 25.575 -14.645 2.286 1.00 66.14 O ATOM 0 H TYR A 62 29.803 -18.671 7.801 1.00 23.23 H new ATOM 0 HA TYR A 62 29.959 -17.997 5.264 1.00 24.04 H new ATOM 0 HB2 TYR A 62 27.922 -18.322 6.450 1.00 22.62 H new ATOM 0 HB3 TYR A 62 28.183 -16.996 7.228 1.00 22.62 H new ATOM 0 HD1 TYR A 62 27.700 -18.130 3.914 1.00 33.85 H new ATOM 0 HD2 TYR A 62 27.231 -14.988 6.363 1.00 33.05 H new ATOM 0 HE1 TYR A 62 26.572 -17.017 2.219 1.00 32.08 H new ATOM 0 HE2 TYR A 62 26.113 -13.851 4.671 1.00 35.00 H new ATOM 0 HH TYR A 62 24.752 -14.640 2.453 1.00 66.14 H new ATOM 463 N HIS A 63 31.274 -15.982 5.083 1.00 26.22 N ATOM 464 CA HIS A 63 32.025 -14.741 5.062 1.00 29.88 C ATOM 465 C HIS A 63 32.913 -14.667 6.304 1.00 28.97 C ATOM 466 O HIS A 63 33.302 -13.605 6.755 1.00 31.80 O ATOM 467 CB HIS A 63 31.175 -13.445 4.840 1.00 34.09 C ATOM 468 CG HIS A 63 30.419 -13.489 3.542 1.00 40.58 C ATOM 469 ND1 HIS A 63 31.070 -13.543 2.318 1.00 46.57 N ATOM 470 CD2 HIS A 63 29.079 -13.548 3.293 1.00 43.17 C ATOM 471 CE1 HIS A 63 30.133 -13.600 1.371 1.00 44.91 C ATOM 472 NE2 HIS A 63 28.930 -13.614 1.929 1.00 43.41 N ATOM 0 H HIS A 63 31.364 -16.486 4.392 1.00 26.22 H new ATOM 0 HA HIS A 63 32.581 -14.765 4.268 1.00 29.88 H new ATOM 0 HB2 HIS A 63 30.551 -13.338 5.575 1.00 34.09 H new ATOM 0 HB3 HIS A 63 31.758 -12.670 4.848 1.00 34.09 H new ATOM 0 HD2 HIS A 63 28.397 -13.544 3.925 1.00 43.17 H new ATOM 0 HE1 HIS A 63 30.298 -13.626 0.456 1.00 44.91 H new ATOM 0 HE2 HIS A 63 28.182 -13.657 1.507 1.00 43.41 H new ATOM 473 N GLY A 64 33.256 -15.818 6.878 1.00 21.80 N ATOM 474 CA GLY A 64 34.124 -15.820 8.030 1.00 21.14 C ATOM 475 C GLY A 64 33.425 -15.716 9.386 1.00 23.40 C ATOM 476 O GLY A 64 34.095 -15.647 10.408 1.00 22.00 O ATOM 0 H GLY A 64 32.997 -16.594 6.614 1.00 21.80 H new ATOM 0 HA2 GLY A 64 34.650 -16.635 8.017 1.00 21.14 H new ATOM 0 HA3 GLY A 64 34.746 -15.080 7.947 1.00 21.14 H new ATOM 477 N TYR A 65 32.103 -15.698 9.405 1.00 19.35 N ATOM 478 CA TYR A 65 31.361 -15.608 10.671 1.00 18.93 C ATOM 479 C TYR A 65 31.822 -16.732 11.555 1.00 22.37 C ATOM 480 O TYR A 65 31.856 -17.897 11.146 1.00 23.18 O ATOM 481 CB TYR A 65 29.844 -15.629 10.454 1.00 21.46 C ATOM 482 CG TYR A 65 29.070 -15.295 11.718 1.00 23.34 C ATOM 483 CD1 TYR A 65 28.900 -13.970 12.128 1.00 24.72 C ATOM 484 CD2 TYR A 65 28.493 -16.306 12.492 1.00 23.36 C ATOM 485 CE1 TYR A 65 28.196 -13.649 13.293 1.00 24.11 C ATOM 486 CE2 TYR A 65 27.789 -16.005 13.660 1.00 19.72 C ATOM 487 CZ TYR A 65 27.640 -14.675 14.057 1.00 19.81 C ATOM 488 OH TYR A 65 26.939 -14.374 15.194 1.00 23.37 O ATOM 0 H TYR A 65 31.609 -15.736 8.702 1.00 19.35 H new ATOM 0 HA TYR A 65 31.545 -14.757 11.099 1.00 18.93 H new ATOM 0 HB2 TYR A 65 29.611 -14.994 9.759 1.00 21.46 H new ATOM 0 HB3 TYR A 65 29.578 -16.507 10.138 1.00 21.46 H new ATOM 0 HD1 TYR A 65 29.264 -13.285 11.614 1.00 24.72 H new ATOM 0 HD2 TYR A 65 28.579 -17.193 12.225 1.00 23.36 H new ATOM 0 HE1 TYR A 65 28.100 -12.762 13.555 1.00 24.11 H new ATOM 0 HE2 TYR A 65 27.421 -16.689 14.172 1.00 19.72 H new ATOM 0 HH TYR A 65 26.495 -15.045 15.436 1.00 23.37 H new ATOM 489 N PRO A 66 32.204 -16.383 12.772 1.00 22.46 N ATOM 490 CA PRO A 66 32.803 -17.357 13.666 1.00 25.22 C ATOM 491 C PRO A 66 31.908 -18.244 14.492 1.00 23.38 C ATOM 492 O PRO A 66 32.431 -19.180 15.106 1.00 21.52 O ATOM 493 CB PRO A 66 33.651 -16.526 14.651 1.00 27.48 C ATOM 494 CG PRO A 66 33.011 -15.141 14.663 1.00 26.27 C ATOM 495 CD PRO A 66 32.100 -15.055 13.434 1.00 24.68 C ATOM 0 HA PRO A 66 33.265 -17.985 13.089 1.00 25.22 H new ATOM 0 HB2 PRO A 66 33.647 -16.921 15.537 1.00 27.48 H new ATOM 0 HB3 PRO A 66 34.577 -16.481 14.365 1.00 27.48 H new ATOM 0 HG2 PRO A 66 32.502 -15.006 15.477 1.00 26.27 H new ATOM 0 HG3 PRO A 66 33.690 -14.449 14.635 1.00 26.27 H new ATOM 0 HD2 PRO A 66 31.184 -14.863 13.690 1.00 24.68 H new ATOM 0 HD3 PRO A 66 32.383 -14.344 12.838 1.00 24.68 H new ATOM 496 N LYS A 67 30.614 -17.942 14.572 1.00 16.55 N ATOM 497 CA LYS A 67 29.746 -18.736 15.445 1.00 17.34 C ATOM 498 C LYS A 67 28.624 -19.440 14.714 1.00 18.64 C ATOM 499 O LYS A 67 28.486 -19.309 13.499 1.00 25.18 O ATOM 500 CB LYS A 67 29.214 -17.853 16.579 1.00 16.15 C ATOM 501 CG LYS A 67 30.338 -17.285 17.435 1.00 14.97 C ATOM 502 CD LYS A 67 30.976 -18.421 18.204 1.00 18.28 C ATOM 503 CE LYS A 67 31.979 -18.024 19.263 1.00 34.24 C ATOM 504 NZ LYS A 67 32.307 -19.192 20.107 1.00 39.14 N ATOM 0 H LYS A 67 30.227 -17.304 14.145 1.00 16.55 H new ATOM 0 HA LYS A 67 30.288 -19.450 15.816 1.00 17.34 H new ATOM 0 HB2 LYS A 67 28.694 -17.125 16.204 1.00 16.15 H new ATOM 0 HB3 LYS A 67 28.614 -18.372 17.137 1.00 16.15 H new ATOM 0 HG2 LYS A 67 30.997 -16.844 16.877 1.00 14.97 H new ATOM 0 HG3 LYS A 67 29.991 -16.617 18.047 1.00 14.97 H new ATOM 0 HD2 LYS A 67 30.272 -18.937 18.628 1.00 18.28 H new ATOM 0 HD3 LYS A 67 31.417 -19.009 17.571 1.00 18.28 H new ATOM 0 HE2 LYS A 67 32.784 -17.681 18.845 1.00 34.24 H new ATOM 0 HE3 LYS A 67 31.617 -17.310 19.811 1.00 34.24 H new ATOM 0 HZ1 LYS A 67 32.886 -18.950 20.738 1.00 39.14 H new ATOM 0 HZ2 LYS A 67 31.565 -19.500 20.489 1.00 39.14 H new ATOM 0 HZ3 LYS A 67 32.668 -19.831 19.603 1.00 39.14 H new ATOM 505 N SER A 68 27.805 -20.163 15.464 1.00 13.64 N ATOM 506 CA SER A 68 26.719 -20.899 14.827 1.00 15.96 C ATOM 507 C SER A 68 25.417 -20.144 14.649 1.00 26.05 C ATOM 508 O SER A 68 24.671 -20.435 13.731 1.00 20.65 O ATOM 509 CB SER A 68 26.416 -22.222 15.514 1.00 19.35 C ATOM 510 OG SER A 68 27.596 -22.993 15.464 1.00 37.80 O ATOM 0 H SER A 68 27.855 -20.242 16.319 1.00 13.64 H new ATOM 0 HA SER A 68 27.080 -21.052 13.940 1.00 15.96 H new ATOM 0 HB2 SER A 68 26.140 -22.076 16.432 1.00 19.35 H new ATOM 0 HB3 SER A 68 25.687 -22.681 15.068 1.00 19.35 H new ATOM 0 HG SER A 68 28.105 -22.768 16.093 1.00 37.80 H new ATOM 511 N VAL A 69 25.100 -19.238 15.561 1.00 17.78 N ATOM 512 CA VAL A 69 23.873 -18.445 15.501 1.00 13.31 C ATOM 513 C VAL A 69 24.215 -16.981 15.745 1.00 15.66 C ATOM 514 O VAL A 69 25.325 -16.635 16.151 1.00 15.60 O ATOM 515 CB VAL A 69 22.816 -18.930 16.541 1.00 18.20 C ATOM 516 CG1 VAL A 69 22.361 -20.374 16.298 1.00 14.71 C ATOM 517 CG2 VAL A 69 23.326 -18.773 17.971 1.00 14.51 C ATOM 0 H VAL A 69 25.594 -19.061 16.242 1.00 17.78 H new ATOM 0 HA VAL A 69 23.481 -18.555 14.620 1.00 13.31 H new ATOM 0 HB VAL A 69 22.042 -18.358 16.420 1.00 18.20 H new ATOM 0 HG11 VAL A 69 21.707 -20.625 16.969 1.00 14.71 H new ATOM 0 HG12 VAL A 69 21.962 -20.444 15.417 1.00 14.71 H new ATOM 0 HG13 VAL A 69 23.126 -20.968 16.354 1.00 14.71 H new ATOM 0 HG21 VAL A 69 22.648 -19.082 18.592 1.00 14.51 H new ATOM 0 HG22 VAL A 69 24.133 -19.298 18.086 1.00 14.51 H new ATOM 0 HG23 VAL A 69 23.521 -17.839 18.144 1.00 14.51 H new ATOM 518 N CYS A 70 23.264 -16.107 15.495 1.00 11.72 N ATOM 519 CA CYS A 70 23.430 -14.685 15.783 1.00 12.72 C ATOM 520 C CYS A 70 22.516 -14.342 16.959 1.00 16.91 C ATOM 521 O CYS A 70 21.306 -14.633 16.976 1.00 15.71 O ATOM 522 CB CYS A 70 23.016 -13.798 14.602 1.00 17.18 C ATOM 523 SG CYS A 70 24.048 -14.086 13.136 1.00 23.00 S ATOM 0 H CYS A 70 22.502 -16.313 15.154 1.00 11.72 H new ATOM 0 HA CYS A 70 24.367 -14.522 15.972 1.00 12.72 H new ATOM 0 HB2 CYS A 70 22.087 -13.969 14.381 1.00 17.18 H new ATOM 0 HB3 CYS A 70 23.079 -12.866 14.862 1.00 17.18 H new ATOM 0 HG CYS A 70 25.185 -14.267 13.476 1.00 23.00 H new ATOM 524 N ILE A 71 23.103 -13.699 17.969 1.00 13.42 N ATOM 525 CA ILE A 71 22.331 -13.318 19.154 1.00 11.60 C ATOM 526 C ILE A 71 22.479 -11.813 19.376 1.00 17.34 C ATOM 527 O ILE A 71 23.573 -11.315 19.675 1.00 16.91 O ATOM 528 CB ILE A 71 22.815 -14.115 20.360 1.00 13.49 C ATOM 529 CG1 ILE A 71 22.622 -15.610 20.051 1.00 15.23 C ATOM 530 CG2 ILE A 71 21.958 -13.698 21.559 1.00 13.96 C ATOM 531 CD1 ILE A 71 23.085 -16.564 21.153 1.00 16.13 C ATOM 0 H ILE A 71 23.934 -13.477 17.989 1.00 13.42 H new ATOM 0 HA ILE A 71 21.391 -13.519 19.027 1.00 11.60 H new ATOM 0 HB ILE A 71 23.751 -13.950 20.555 1.00 13.49 H new ATOM 0 HG12 ILE A 71 21.682 -15.771 19.877 1.00 15.23 H new ATOM 0 HG13 ILE A 71 23.102 -15.822 19.235 1.00 15.23 H new ATOM 0 HG21 ILE A 71 22.242 -14.189 22.346 1.00 13.96 H new ATOM 0 HG22 ILE A 71 22.063 -12.747 21.717 1.00 13.96 H new ATOM 0 HG23 ILE A 71 21.026 -13.894 21.375 1.00 13.96 H new ATOM 0 HD11 ILE A 71 22.927 -17.480 20.876 1.00 16.13 H new ATOM 0 HD12 ILE A 71 24.032 -16.435 21.316 1.00 16.13 H new ATOM 0 HD13 ILE A 71 22.590 -16.383 21.967 1.00 16.13 H new ATOM 532 N SER A 72 21.389 -11.084 19.200 1.00 11.19 N ATOM 533 CA SER A 72 21.446 -9.648 19.272 1.00 11.39 C ATOM 534 C SER A 72 20.653 -9.095 20.432 1.00 17.64 C ATOM 535 O SER A 72 19.432 -9.112 20.437 1.00 15.07 O ATOM 536 CB SER A 72 20.954 -9.049 17.941 1.00 14.04 C ATOM 537 OG SER A 72 21.612 -9.676 16.847 1.00 16.30 O ATOM 0 H SER A 72 20.609 -11.407 19.038 1.00 11.19 H new ATOM 0 HA SER A 72 22.370 -9.394 19.425 1.00 11.39 H new ATOM 0 HB2 SER A 72 19.995 -9.167 17.861 1.00 14.04 H new ATOM 0 HB3 SER A 72 21.125 -8.094 17.926 1.00 14.04 H new ATOM 0 HG SER A 72 21.130 -10.295 16.547 1.00 16.30 H new ATOM 538 N ILE A 73 21.374 -8.541 21.391 1.00 13.12 N ATOM 539 CA ILE A 73 20.741 -7.967 22.558 1.00 15.17 C ATOM 540 C ILE A 73 20.447 -6.462 22.483 1.00 16.85 C ATOM 541 O ILE A 73 21.288 -5.676 22.067 1.00 18.30 O ATOM 542 CB ILE A 73 21.649 -8.220 23.769 1.00 22.69 C ATOM 543 CG1 ILE A 73 21.994 -9.700 23.907 1.00 23.63 C ATOM 544 CG2 ILE A 73 20.957 -7.740 25.043 1.00 18.47 C ATOM 545 CD1 ILE A 73 23.247 -9.960 24.744 1.00 29.89 C ATOM 0 H ILE A 73 22.232 -8.488 21.384 1.00 13.12 H new ATOM 0 HA ILE A 73 19.875 -8.399 22.627 1.00 15.17 H new ATOM 0 HB ILE A 73 22.473 -7.726 23.633 1.00 22.69 H new ATOM 0 HG12 ILE A 73 21.243 -10.163 24.310 1.00 23.63 H new ATOM 0 HG13 ILE A 73 22.120 -10.079 23.023 1.00 23.63 H new ATOM 0 HG21 ILE A 73 21.534 -7.902 25.806 1.00 18.47 H new ATOM 0 HG22 ILE A 73 20.773 -6.790 24.973 1.00 18.47 H new ATOM 0 HG23 ILE A 73 20.124 -8.223 25.160 1.00 18.47 H new ATOM 0 HD11 ILE A 73 23.411 -10.915 24.793 1.00 29.89 H new ATOM 0 HD12 ILE A 73 24.008 -9.522 24.332 1.00 29.89 H new ATOM 0 HD13 ILE A 73 23.118 -9.608 25.639 1.00 29.89 H new ATOM 546 N ASN A 74 19.248 -6.079 22.937 1.00 13.55 N ATOM 547 CA ASN A 74 18.792 -4.702 23.068 1.00 14.42 C ATOM 548 C ASN A 74 19.066 -3.843 21.869 1.00 22.67 C ATOM 549 O ASN A 74 18.451 -4.038 20.830 1.00 19.78 O ATOM 550 CB ASN A 74 19.418 -4.058 24.328 1.00 12.75 C ATOM 551 CG ASN A 74 18.923 -4.737 25.592 1.00 20.45 C ATOM 552 OD1 ASN A 74 17.818 -5.326 25.636 1.00 22.68 O ATOM 553 ND2 ASN A 74 19.761 -4.720 26.623 1.00 23.81 N ATOM 0 H ASN A 74 18.654 -6.648 23.188 1.00 13.55 H new ATOM 0 HA ASN A 74 17.826 -4.748 23.148 1.00 14.42 H new ATOM 0 HB2 ASN A 74 20.385 -4.121 24.281 1.00 12.75 H new ATOM 0 HB3 ASN A 74 19.196 -3.114 24.356 1.00 12.75 H new ATOM 0 HD21 ASN A 74 19.552 -5.123 27.354 1.00 23.81 H new ATOM 0 HD22 ASN A 74 20.512 -4.306 26.560 1.00 23.81 H new ATOM 554 N GLU A 75 19.985 -2.890 22.028 1.00 15.29 N ATOM 555 CA GLU A 75 20.343 -1.983 20.943 1.00 16.59 C ATOM 556 C GLU A 75 21.089 -2.636 19.767 1.00 18.19 C ATOM 557 O GLU A 75 21.280 -2.035 18.733 1.00 19.21 O ATOM 558 CB GLU A 75 21.004 -0.691 21.414 1.00 20.40 C ATOM 559 CG GLU A 75 22.506 -0.864 21.715 1.00 23.78 C ATOM 560 CD GLU A 75 22.775 -1.703 22.928 1.00 37.37 C ATOM 561 OE1 GLU A 75 23.794 -2.348 23.054 1.00 63.72 O ATOM 562 OE2 GLU A 75 21.815 -1.657 23.828 1.00 27.42 O ATOM 0 H GLU A 75 20.413 -2.754 22.761 1.00 15.29 H new ATOM 0 HA GLU A 75 19.483 -1.728 20.575 1.00 16.59 H new ATOM 0 HB2 GLU A 75 20.891 -0.008 20.734 1.00 20.40 H new ATOM 0 HB3 GLU A 75 20.553 -0.374 22.212 1.00 20.40 H new ATOM 0 HG2 GLU A 75 22.939 -1.269 20.947 1.00 23.78 H new ATOM 0 HG3 GLU A 75 22.907 0.010 21.839 1.00 23.78 H new ATOM 563 N VAL A 76 21.514 -3.884 19.888 1.00 13.44 N ATOM 564 CA VAL A 76 22.139 -4.536 18.759 1.00 16.33 C ATOM 565 C VAL A 76 21.004 -4.914 17.819 1.00 21.93 C ATOM 566 O VAL A 76 20.036 -5.574 18.234 1.00 19.32 O ATOM 567 CB VAL A 76 22.895 -5.792 19.177 1.00 20.38 C ATOM 568 CG1 VAL A 76 23.539 -6.402 17.931 1.00 21.07 C ATOM 569 CG2 VAL A 76 23.991 -5.362 20.132 1.00 22.96 C ATOM 0 H VAL A 76 21.451 -4.360 20.601 1.00 13.44 H new ATOM 0 HA VAL A 76 22.787 -3.946 18.344 1.00 16.33 H new ATOM 0 HB VAL A 76 22.304 -6.438 19.595 1.00 20.38 H new ATOM 0 HG11 VAL A 76 24.026 -7.204 18.178 1.00 21.07 H new ATOM 0 HG12 VAL A 76 22.849 -6.628 17.288 1.00 21.07 H new ATOM 0 HG13 VAL A 76 24.151 -5.761 17.536 1.00 21.07 H new ATOM 0 HG21 VAL A 76 24.494 -6.140 20.419 1.00 22.96 H new ATOM 0 HG22 VAL A 76 24.586 -4.740 19.684 1.00 22.96 H new ATOM 0 HG23 VAL A 76 23.596 -4.930 20.905 1.00 22.96 H new ATOM 570 N VAL A 77 21.145 -4.456 16.576 1.00 18.54 N ATOM 571 CA VAL A 77 20.157 -4.631 15.530 1.00 20.55 C ATOM 572 C VAL A 77 20.120 -6.035 14.944 1.00 20.63 C ATOM 573 O VAL A 77 19.042 -6.674 14.832 1.00 20.78 O ATOM 574 CB VAL A 77 20.280 -3.558 14.429 1.00 22.54 C ATOM 575 CG1 VAL A 77 19.186 -3.756 13.347 1.00 18.98 C ATOM 576 CG2 VAL A 77 20.117 -2.182 15.070 1.00 22.20 C ATOM 0 H VAL A 77 21.841 -4.023 16.317 1.00 18.54 H new ATOM 0 HA VAL A 77 19.301 -4.508 15.968 1.00 20.55 H new ATOM 0 HB VAL A 77 21.149 -3.634 14.004 1.00 22.54 H new ATOM 0 HG11 VAL A 77 19.279 -3.073 12.664 1.00 18.98 H new ATOM 0 HG12 VAL A 77 19.285 -4.632 12.943 1.00 18.98 H new ATOM 0 HG13 VAL A 77 18.309 -3.686 13.756 1.00 18.98 H new ATOM 0 HG21 VAL A 77 20.192 -1.496 14.388 1.00 22.20 H new ATOM 0 HG22 VAL A 77 19.246 -2.123 15.493 1.00 22.20 H new ATOM 0 HG23 VAL A 77 20.809 -2.051 15.737 1.00 22.20 H new ATOM 577 N CYS A 78 21.316 -6.463 14.570 1.00 17.23 N ATOM 578 CA CYS A 78 21.523 -7.784 14.018 1.00 17.99 C ATOM 579 C CYS A 78 23.002 -8.186 14.069 1.00 23.35 C ATOM 580 O CYS A 78 23.899 -7.378 14.344 1.00 21.45 O ATOM 581 CB CYS A 78 20.983 -7.805 12.581 1.00 20.32 C ATOM 582 SG CYS A 78 21.818 -6.601 11.501 1.00 27.33 S ATOM 0 H CYS A 78 22.032 -5.991 14.631 1.00 17.23 H new ATOM 0 HA CYS A 78 21.042 -8.436 14.551 1.00 17.99 H new ATOM 0 HB2 CYS A 78 21.091 -8.695 12.211 1.00 20.32 H new ATOM 0 HB3 CYS A 78 20.031 -7.617 12.594 1.00 20.32 H new ATOM 0 HG CYS A 78 22.911 -6.363 11.936 1.00 27.33 H new ATOM 583 N HIS A 79 23.235 -9.465 13.794 1.00 18.41 N ATOM 584 CA HIS A 79 24.553 -10.053 13.728 1.00 18.69 C ATOM 585 C HIS A 79 25.320 -10.083 15.008 1.00 27.74 C ATOM 586 O HIS A 79 26.531 -10.285 14.975 1.00 31.89 O ATOM 587 CB HIS A 79 25.434 -9.432 12.638 1.00 24.44 C ATOM 588 CG HIS A 79 24.703 -9.504 11.363 1.00 34.70 C ATOM 589 ND1 HIS A 79 25.121 -8.816 10.243 1.00 39.60 N ATOM 590 CD2 HIS A 79 23.555 -10.192 11.073 1.00 43.20 C ATOM 591 CE1 HIS A 79 24.229 -9.094 9.293 1.00 43.54 C ATOM 592 NE2 HIS A 79 23.273 -9.912 9.756 1.00 44.15 N ATOM 0 H HIS A 79 22.604 -10.028 13.636 1.00 18.41 H new ATOM 0 HA HIS A 79 24.348 -10.974 13.504 1.00 18.69 H new ATOM 0 HB2 HIS A 79 25.644 -8.511 12.856 1.00 24.44 H new ATOM 0 HB3 HIS A 79 26.277 -9.907 12.572 1.00 24.44 H new ATOM 0 HD2 HIS A 79 23.067 -10.736 11.648 1.00 43.20 H new ATOM 0 HE1 HIS A 79 24.265 -8.764 8.424 1.00 43.54 H new ATOM 0 HE2 HIS A 79 22.602 -10.209 9.308 1.00 44.15 H new ATOM 593 N GLY A 80 24.633 -9.897 16.114 1.00 17.12 N ATOM 594 CA GLY A 80 25.366 -9.940 17.354 1.00 15.00 C ATOM 595 C GLY A 80 26.117 -11.256 17.439 1.00 20.09 C ATOM 596 O GLY A 80 25.576 -12.341 17.189 1.00 19.13 O ATOM 0 H GLY A 80 23.787 -9.752 16.171 1.00 17.12 H new ATOM 0 HA2 GLY A 80 25.987 -9.196 17.402 1.00 15.00 H new ATOM 0 HA3 GLY A 80 24.759 -9.852 18.105 1.00 15.00 H new ATOM 597 N ILE A 81 27.376 -11.135 17.824 1.00 16.25 N ATOM 598 CA ILE A 81 28.249 -12.273 17.978 1.00 18.36 C ATOM 599 C ILE A 81 28.220 -12.893 19.388 1.00 24.45 C ATOM 600 O ILE A 81 28.513 -12.236 20.396 1.00 25.12 O ATOM 601 CB ILE A 81 29.656 -11.826 17.617 1.00 23.69 C ATOM 602 CG1 ILE A 81 29.707 -11.431 16.149 1.00 23.62 C ATOM 603 CG2 ILE A 81 30.659 -12.947 17.881 1.00 26.25 C ATOM 604 CD1 ILE A 81 31.134 -11.096 15.755 1.00 25.74 C ATOM 0 H ILE A 81 27.748 -10.381 18.004 1.00 16.25 H new ATOM 0 HA ILE A 81 27.937 -12.977 17.388 1.00 18.36 H new ATOM 0 HB ILE A 81 29.890 -11.063 18.168 1.00 23.69 H new ATOM 0 HG12 ILE A 81 29.373 -12.156 15.599 1.00 23.62 H new ATOM 0 HG13 ILE A 81 29.131 -10.667 15.991 1.00 23.62 H new ATOM 0 HG21 ILE A 81 31.551 -12.646 17.646 1.00 26.25 H new ATOM 0 HG22 ILE A 81 30.637 -13.187 18.821 1.00 26.25 H new ATOM 0 HG23 ILE A 81 30.428 -13.721 17.345 1.00 26.25 H new ATOM 0 HD11 ILE A 81 31.161 -10.845 14.818 1.00 25.74 H new ATOM 0 HD12 ILE A 81 31.455 -10.358 16.297 1.00 25.74 H new ATOM 0 HD13 ILE A 81 31.700 -11.871 15.898 1.00 25.74 H new ATOM 605 N PRO A 82 27.874 -14.184 19.473 1.00 18.09 N ATOM 606 CA PRO A 82 27.836 -14.828 20.779 1.00 17.16 C ATOM 607 C PRO A 82 29.173 -14.705 21.512 1.00 26.76 C ATOM 608 O PRO A 82 30.220 -14.729 20.896 1.00 21.84 O ATOM 609 CB PRO A 82 27.491 -16.286 20.491 1.00 16.93 C ATOM 610 CG PRO A 82 26.697 -16.242 19.191 1.00 20.32 C ATOM 611 CD PRO A 82 27.216 -15.045 18.431 1.00 14.71 C ATOM 0 HA PRO A 82 27.185 -14.410 21.364 1.00 17.16 H new ATOM 0 HB2 PRO A 82 28.291 -16.826 20.398 1.00 16.93 H new ATOM 0 HB3 PRO A 82 26.969 -16.674 21.211 1.00 16.93 H new ATOM 0 HG2 PRO A 82 26.820 -17.058 18.681 1.00 20.32 H new ATOM 0 HG3 PRO A 82 25.747 -16.157 19.367 1.00 20.32 H new ATOM 0 HD2 PRO A 82 27.847 -15.311 17.744 1.00 14.71 H new ATOM 0 HD3 PRO A 82 26.496 -14.571 17.986 1.00 14.71 H new ATOM 612 N ASP A 83 29.147 -14.593 22.833 1.00 20.32 N ATOM 613 CA ASP A 83 30.388 -14.431 23.567 1.00 23.77 C ATOM 614 C ASP A 83 30.204 -14.883 24.997 1.00 23.22 C ATOM 615 O ASP A 83 29.160 -14.638 25.600 1.00 22.31 O ATOM 616 CB ASP A 83 30.784 -12.929 23.479 1.00 31.25 C ATOM 617 CG ASP A 83 31.929 -12.411 24.333 1.00 44.52 C ATOM 618 OD1 ASP A 83 32.469 -13.041 25.227 1.00 39.53 O ATOM 619 OD2 ASP A 83 32.256 -11.177 24.020 1.00 65.47 O ATOM 0 H ASP A 83 28.434 -14.608 23.314 1.00 20.32 H new ATOM 0 HA ASP A 83 31.097 -14.975 23.190 1.00 23.77 H new ATOM 0 HB2 ASP A 83 31.002 -12.739 22.553 1.00 31.25 H new ATOM 0 HB3 ASP A 83 29.997 -12.407 23.699 1.00 31.25 H new ATOM 620 N ASP A 84 31.224 -15.553 25.527 1.00 26.49 N ATOM 621 CA ASP A 84 31.193 -16.090 26.895 1.00 29.27 C ATOM 622 C ASP A 84 31.120 -15.025 27.965 1.00 27.50 C ATOM 623 O ASP A 84 30.701 -15.277 29.067 1.00 32.75 O ATOM 624 CB ASP A 84 32.377 -17.045 27.156 1.00 28.35 C ATOM 625 CG ASP A 84 32.211 -18.317 26.373 1.00 58.07 C ATOM 626 OD1 ASP A 84 31.183 -18.958 26.401 1.00 54.13 O ATOM 627 OD2 ASP A 84 33.249 -18.632 25.628 1.00 84.03 O ATOM 0 H ASP A 84 31.957 -15.712 25.106 1.00 26.49 H new ATOM 0 HA ASP A 84 30.366 -16.594 26.955 1.00 29.27 H new ATOM 0 HB2 ASP A 84 33.209 -16.612 26.908 1.00 28.35 H new ATOM 0 HB3 ASP A 84 32.434 -17.247 28.103 1.00 28.35 H new ATOM 628 N ALA A 85 31.528 -13.833 27.606 1.00 27.65 N ATOM 629 CA ALA A 85 31.542 -12.692 28.496 1.00 33.32 C ATOM 630 C ALA A 85 30.238 -11.892 28.515 1.00 40.86 C ATOM 631 O ALA A 85 30.027 -11.093 29.444 1.00 38.90 O ATOM 632 CB ALA A 85 32.683 -11.771 28.080 1.00 34.52 C ATOM 0 H ALA A 85 31.814 -13.655 26.815 1.00 27.65 H new ATOM 0 HA ALA A 85 31.658 -13.039 29.394 1.00 33.32 H new ATOM 0 HB1 ALA A 85 32.707 -10.999 28.667 1.00 34.52 H new ATOM 0 HB2 ALA A 85 33.524 -12.250 28.141 1.00 34.52 H new ATOM 0 HB3 ALA A 85 32.545 -11.477 27.166 1.00 34.52 H new ATOM 633 N LYS A 86 29.380 -12.057 27.491 1.00 25.44 N ATOM 634 CA LYS A 86 28.131 -11.305 27.446 1.00 24.26 C ATOM 635 C LYS A 86 26.993 -12.010 28.207 1.00 21.94 C ATOM 636 O LYS A 86 26.449 -12.987 27.727 1.00 23.05 O ATOM 637 CB LYS A 86 27.737 -10.891 26.029 1.00 31.29 C ATOM 638 CG LYS A 86 26.656 -9.810 25.992 1.00 45.64 C ATOM 639 CD LYS A 86 26.247 -9.242 27.346 1.00 60.06 C ATOM 0 H LYS A 86 29.507 -12.591 26.829 1.00 25.44 H new ATOM 0 HA LYS A 86 28.297 -10.476 27.921 1.00 24.26 H new ATOM 0 HB2 LYS A 86 28.524 -10.568 25.563 1.00 31.29 H new ATOM 0 HB3 LYS A 86 27.422 -11.671 25.547 1.00 31.29 H new ATOM 0 HG2 LYS A 86 26.969 -9.081 25.434 1.00 45.64 H new ATOM 0 HG3 LYS A 86 25.868 -10.178 25.562 1.00 45.64 H new ATOM 640 N LEU A 87 26.653 -11.534 29.412 1.00 15.40 N ATOM 641 CA LEU A 87 25.630 -12.159 30.217 1.00 16.24 C ATOM 642 C LEU A 87 24.313 -11.417 30.103 1.00 22.87 C ATOM 643 O LEU A 87 24.248 -10.186 30.036 1.00 22.74 O ATOM 644 CB LEU A 87 26.014 -12.245 31.720 1.00 22.36 C ATOM 645 CG LEU A 87 27.126 -13.229 32.086 1.00 26.22 C ATOM 0 H LEU A 87 27.014 -10.842 29.773 1.00 15.40 H new ATOM 0 HA LEU A 87 25.540 -13.060 29.869 1.00 16.24 H new ATOM 0 HB2 LEU A 87 26.282 -11.361 32.016 1.00 22.36 H new ATOM 0 HB3 LEU A 87 25.220 -12.484 32.223 1.00 22.36 H new ATOM 646 N LEU A 88 23.240 -12.185 30.088 1.00 22.25 N ATOM 647 CA LEU A 88 21.905 -11.621 30.007 1.00 17.40 C ATOM 648 C LEU A 88 21.447 -11.168 31.386 1.00 22.93 C ATOM 649 O LEU A 88 21.825 -11.795 32.370 1.00 20.54 O ATOM 650 CB LEU A 88 20.943 -12.709 29.484 1.00 19.96 C ATOM 651 CG LEU A 88 21.376 -13.302 28.138 1.00 20.82 C ATOM 652 CD1 LEU A 88 20.280 -14.239 27.657 1.00 21.16 C ATOM 653 CD2 LEU A 88 21.575 -12.186 27.116 1.00 24.37 C ATOM 0 H LEU A 88 23.262 -13.044 30.124 1.00 22.25 H new ATOM 0 HA LEU A 88 21.909 -10.857 29.409 1.00 17.40 H new ATOM 0 HB2 LEU A 88 20.882 -13.421 30.140 1.00 19.96 H new ATOM 0 HB3 LEU A 88 20.055 -12.330 29.393 1.00 19.96 H new ATOM 0 HG LEU A 88 22.212 -13.782 28.242 1.00 20.82 H new ATOM 0 HD11 LEU A 88 20.535 -14.625 26.805 1.00 21.16 H new ATOM 0 HD12 LEU A 88 20.151 -14.947 28.307 1.00 21.16 H new ATOM 0 HD13 LEU A 88 19.453 -13.743 27.552 1.00 21.16 H new ATOM 0 HD21 LEU A 88 21.849 -12.569 26.268 1.00 24.37 H new ATOM 0 HD22 LEU A 88 20.742 -11.702 26.998 1.00 24.37 H new ATOM 0 HD23 LEU A 88 22.261 -11.577 27.431 1.00 24.37 H new ATOM 654 N LYS A 89 20.641 -10.089 31.434 1.00 20.94 N ATOM 655 CA LYS A 89 20.112 -9.465 32.655 1.00 18.24 C ATOM 656 C LYS A 89 18.594 -9.333 32.540 1.00 26.24 C ATOM 657 O LYS A 89 18.009 -9.372 31.444 1.00 19.52 O ATOM 658 CB LYS A 89 20.567 -7.998 32.777 1.00 22.13 C ATOM 659 CG LYS A 89 22.045 -7.752 33.014 1.00 34.44 C ATOM 0 H LYS A 89 20.379 -9.687 30.720 1.00 20.94 H new ATOM 0 HA LYS A 89 20.415 -10.014 33.395 1.00 18.24 H new ATOM 0 HB2 LYS A 89 20.311 -7.535 31.964 1.00 22.13 H new ATOM 0 HB3 LYS A 89 20.073 -7.589 33.505 1.00 22.13 H new ATOM 660 N ASP A 90 17.950 -9.105 33.683 1.00 16.89 N ATOM 661 CA ASP A 90 16.527 -8.936 33.719 1.00 17.88 C ATOM 662 C ASP A 90 16.152 -7.794 32.811 1.00 22.37 C ATOM 663 O ASP A 90 16.845 -6.783 32.800 1.00 23.87 O ATOM 664 CB ASP A 90 16.100 -8.552 35.141 1.00 24.53 C ATOM 665 CG ASP A 90 14.882 -9.295 35.569 1.00 45.03 C ATOM 666 OD1 ASP A 90 14.902 -10.482 35.783 1.00 37.20 O ATOM 667 OD2 ASP A 90 13.808 -8.540 35.638 1.00 79.25 O ATOM 0 H ASP A 90 18.336 -9.046 34.449 1.00 16.89 H new ATOM 0 HA ASP A 90 16.096 -9.760 33.442 1.00 17.88 H new ATOM 0 HB2 ASP A 90 16.825 -8.736 35.758 1.00 24.53 H new ATOM 0 HB3 ASP A 90 15.929 -7.598 35.181 1.00 24.53 H new ATOM 668 N GLY A 91 15.072 -7.946 32.045 1.00 21.02 N ATOM 669 CA GLY A 91 14.679 -6.852 31.179 1.00 22.55 C ATOM 670 C GLY A 91 15.312 -6.824 29.799 1.00 29.30 C ATOM 671 O GLY A 91 14.830 -6.098 28.924 1.00 26.41 O ATOM 0 H GLY A 91 14.575 -8.647 32.015 1.00 21.02 H new ATOM 0 HA2 GLY A 91 13.715 -6.880 31.071 1.00 22.55 H new ATOM 0 HA3 GLY A 91 14.890 -6.018 31.627 1.00 22.55 H new ATOM 672 N ASP A 92 16.382 -7.590 29.564 1.00 20.80 N ATOM 673 CA ASP A 92 16.974 -7.577 28.224 1.00 14.15 C ATOM 674 C ASP A 92 15.979 -8.184 27.189 1.00 13.22 C ATOM 675 O ASP A 92 15.140 -9.013 27.525 1.00 15.21 O ATOM 676 CB ASP A 92 18.210 -8.482 28.268 1.00 12.08 C ATOM 677 CG ASP A 92 19.424 -7.800 28.818 1.00 23.05 C ATOM 678 OD1 ASP A 92 19.478 -6.606 29.062 1.00 18.17 O ATOM 679 OD2 ASP A 92 20.439 -8.618 28.977 1.00 18.61 O ATOM 0 H ASP A 92 16.766 -8.102 30.138 1.00 20.80 H new ATOM 0 HA ASP A 92 17.191 -6.667 27.967 1.00 14.15 H new ATOM 0 HB2 ASP A 92 18.012 -9.263 28.809 1.00 12.08 H new ATOM 0 HB3 ASP A 92 18.403 -8.799 27.372 1.00 12.08 H new ATOM 680 N ILE A 93 16.047 -7.758 25.941 1.00 14.91 N ATOM 681 CA ILE A 93 15.238 -8.357 24.885 1.00 15.20 C ATOM 682 C ILE A 93 16.291 -8.943 23.944 1.00 18.75 C ATOM 683 O ILE A 93 17.296 -8.295 23.650 1.00 20.63 O ATOM 684 CB ILE A 93 14.282 -7.441 24.124 1.00 14.85 C ATOM 685 CG1 ILE A 93 15.047 -6.371 23.351 1.00 17.17 C ATOM 686 CG2 ILE A 93 13.227 -6.852 25.050 1.00 14.84 C ATOM 687 CD1 ILE A 93 14.150 -5.555 22.382 1.00 19.18 C ATOM 0 H ILE A 93 16.558 -7.118 25.678 1.00 14.91 H new ATOM 0 HA ILE A 93 14.616 -8.989 25.278 1.00 15.20 H new ATOM 0 HB ILE A 93 13.807 -7.975 23.468 1.00 14.85 H new ATOM 0 HG12 ILE A 93 15.468 -5.765 23.980 1.00 17.17 H new ATOM 0 HG13 ILE A 93 15.759 -6.793 22.845 1.00 17.17 H new ATOM 0 HG21 ILE A 93 12.635 -6.276 24.541 1.00 14.84 H new ATOM 0 HG22 ILE A 93 12.713 -7.569 25.452 1.00 14.84 H new ATOM 0 HG23 ILE A 93 13.660 -6.335 25.747 1.00 14.84 H new ATOM 0 HD11 ILE A 93 14.689 -4.893 21.921 1.00 19.18 H new ATOM 0 HD12 ILE A 93 13.747 -6.153 21.733 1.00 19.18 H new ATOM 0 HD13 ILE A 93 13.452 -5.108 22.886 1.00 19.18 H new ATOM 688 N VAL A 94 16.138 -10.174 23.490 1.00 12.22 N ATOM 689 CA VAL A 94 17.181 -10.690 22.668 1.00 11.07 C ATOM 690 C VAL A 94 16.626 -11.481 21.501 1.00 11.60 C ATOM 691 O VAL A 94 15.658 -12.226 21.632 1.00 16.10 O ATOM 692 CB VAL A 94 18.114 -11.521 23.555 1.00 27.36 C ATOM 693 CG1 VAL A 94 17.272 -12.479 24.351 1.00 30.20 C ATOM 694 CG2 VAL A 94 19.166 -12.316 22.779 1.00 26.73 C ATOM 0 H VAL A 94 15.471 -10.695 23.641 1.00 12.22 H new ATOM 0 HA VAL A 94 17.687 -9.964 22.270 1.00 11.07 H new ATOM 0 HB VAL A 94 18.601 -10.899 24.118 1.00 27.36 H new ATOM 0 HG11 VAL A 94 17.844 -13.016 24.921 1.00 30.20 H new ATOM 0 HG12 VAL A 94 16.646 -11.981 24.899 1.00 30.20 H new ATOM 0 HG13 VAL A 94 16.782 -13.059 23.747 1.00 30.20 H new ATOM 0 HG21 VAL A 94 19.718 -12.815 23.401 1.00 26.73 H new ATOM 0 HG22 VAL A 94 18.725 -12.931 22.173 1.00 26.73 H new ATOM 0 HG23 VAL A 94 19.723 -11.706 22.271 1.00 26.73 H new ATOM 695 N ASN A 95 17.264 -11.256 20.368 1.00 11.90 N ATOM 696 CA ASN A 95 16.906 -11.969 19.161 1.00 15.33 C ATOM 697 C ASN A 95 17.910 -13.107 18.960 1.00 17.09 C ATOM 698 O ASN A 95 19.135 -12.941 19.102 1.00 16.31 O ATOM 699 CB ASN A 95 16.968 -11.033 17.922 1.00 10.93 C ATOM 700 CG ASN A 95 16.658 -11.758 16.614 1.00 14.56 C ATOM 701 OD1 ASN A 95 17.511 -12.449 16.047 1.00 13.77 O ATOM 702 ND2 ASN A 95 15.412 -11.631 16.169 1.00 16.35 N ATOM 0 H ASN A 95 17.908 -10.694 20.277 1.00 11.90 H new ATOM 0 HA ASN A 95 16.001 -12.306 19.252 1.00 15.33 H new ATOM 0 HB2 ASN A 95 16.338 -10.305 18.040 1.00 10.93 H new ATOM 0 HB3 ASN A 95 17.852 -10.637 17.865 1.00 10.93 H new ATOM 0 HD21 ASN A 95 15.167 -12.041 15.454 1.00 16.35 H new ATOM 0 HD22 ASN A 95 14.851 -11.139 16.596 1.00 16.35 H new ATOM 703 N ILE A 96 17.395 -14.268 18.605 1.00 14.36 N ATOM 704 CA ILE A 96 18.238 -15.403 18.259 1.00 10.75 C ATOM 705 C ILE A 96 17.836 -15.750 16.819 1.00 13.37 C ATOM 706 O ILE A 96 16.658 -16.023 16.586 1.00 11.64 O ATOM 707 CB ILE A 96 18.109 -16.608 19.176 1.00 12.44 C ATOM 708 CG1 ILE A 96 18.641 -16.215 20.568 1.00 15.33 C ATOM 709 CG2 ILE A 96 18.939 -17.736 18.559 1.00 15.24 C ATOM 710 CD1 ILE A 96 18.638 -17.334 21.629 1.00 17.70 C ATOM 0 H ILE A 96 16.551 -14.424 18.557 1.00 14.36 H new ATOM 0 HA ILE A 96 19.172 -15.162 18.357 1.00 10.75 H new ATOM 0 HB ILE A 96 17.190 -16.902 19.274 1.00 12.44 H new ATOM 0 HG12 ILE A 96 19.549 -15.890 20.468 1.00 15.33 H new ATOM 0 HG13 ILE A 96 18.110 -15.475 20.901 1.00 15.33 H new ATOM 0 HG21 ILE A 96 18.880 -18.525 19.120 1.00 15.24 H new ATOM 0 HG22 ILE A 96 18.598 -17.942 17.675 1.00 15.24 H new ATOM 0 HG23 ILE A 96 19.865 -17.456 18.491 1.00 15.24 H new ATOM 0 HD11 ILE A 96 18.989 -16.989 22.465 1.00 17.70 H new ATOM 0 HD12 ILE A 96 17.731 -17.649 21.765 1.00 17.70 H new ATOM 0 HD13 ILE A 96 19.193 -18.070 21.325 1.00 17.70 H new ATOM 711 N ASP A 97 18.790 -15.639 15.911 1.00 11.85 N ATOM 712 CA ASP A 97 18.559 -15.881 14.503 1.00 8.89 C ATOM 713 C ASP A 97 19.316 -17.112 14.114 1.00 14.18 C ATOM 714 O ASP A 97 20.537 -17.218 14.286 1.00 15.47 O ATOM 715 CB ASP A 97 18.914 -14.623 13.673 1.00 10.20 C ATOM 716 CG ASP A 97 18.495 -14.805 12.211 1.00 12.70 C ATOM 717 OD1 ASP A 97 18.044 -15.847 11.787 1.00 15.93 O ATOM 718 OD2 ASP A 97 18.641 -13.764 11.465 1.00 16.37 O ATOM 0 H ASP A 97 19.600 -15.418 16.099 1.00 11.85 H new ATOM 0 HA ASP A 97 17.621 -16.046 14.318 1.00 8.89 H new ATOM 0 HB2 ASP A 97 18.470 -13.846 14.048 1.00 10.20 H new ATOM 0 HB3 ASP A 97 19.868 -14.455 13.723 1.00 10.20 H new ATOM 719 N VAL A 98 18.569 -18.092 13.621 1.00 13.89 N ATOM 720 CA VAL A 98 19.137 -19.378 13.214 1.00 14.33 C ATOM 721 C VAL A 98 18.931 -19.716 11.726 1.00 20.40 C ATOM 722 O VAL A 98 17.866 -19.490 11.174 1.00 15.32 O ATOM 723 CB VAL A 98 18.390 -20.479 13.958 1.00 22.24 C ATOM 724 CG1 VAL A 98 19.077 -21.810 13.664 1.00 25.87 C ATOM 725 CG2 VAL A 98 18.434 -20.187 15.448 1.00 26.47 C ATOM 0 H VAL A 98 17.718 -18.033 13.512 1.00 13.89 H new ATOM 0 HA VAL A 98 20.087 -19.319 13.402 1.00 14.33 H new ATOM 0 HB VAL A 98 17.464 -20.520 13.671 1.00 22.24 H new ATOM 0 HG11 VAL A 98 18.614 -22.523 14.130 1.00 25.87 H new ATOM 0 HG12 VAL A 98 19.056 -21.981 12.709 1.00 25.87 H new ATOM 0 HG13 VAL A 98 19.998 -21.772 13.965 1.00 25.87 H new ATOM 0 HG21 VAL A 98 17.960 -20.884 15.929 1.00 26.47 H new ATOM 0 HG22 VAL A 98 19.357 -20.160 15.745 1.00 26.47 H new ATOM 0 HG23 VAL A 98 18.013 -19.331 15.623 1.00 26.47 H new ATOM 726 N THR A 99 19.938 -20.293 11.092 1.00 13.38 N ATOM 727 CA THR A 99 19.800 -20.718 9.681 1.00 11.87 C ATOM 728 C THR A 99 20.463 -22.077 9.600 1.00 15.60 C ATOM 729 O THR A 99 21.678 -22.200 9.812 1.00 18.53 O ATOM 730 CB THR A 99 20.449 -19.731 8.696 1.00 15.38 C ATOM 731 OG1 THR A 99 19.872 -18.441 8.864 1.00 19.35 O ATOM 732 CG2 THR A 99 20.276 -20.235 7.263 1.00 16.77 C ATOM 0 H THR A 99 20.706 -20.452 11.444 1.00 13.38 H new ATOM 0 HA THR A 99 18.865 -20.749 9.426 1.00 11.87 H new ATOM 0 HB THR A 99 21.400 -19.665 8.877 1.00 15.38 H new ATOM 0 HG1 THR A 99 20.479 -17.880 9.015 1.00 19.35 H new ATOM 0 HG21 THR A 99 20.687 -19.608 6.647 1.00 16.77 H new ATOM 0 HG22 THR A 99 20.700 -21.103 7.172 1.00 16.77 H new ATOM 0 HG23 THR A 99 19.331 -20.314 7.060 1.00 16.77 H new ATOM 733 N VAL A 100 19.667 -23.098 9.347 1.00 12.09 N ATOM 734 CA VAL A 100 20.198 -24.458 9.293 1.00 13.54 C ATOM 735 C VAL A 100 20.196 -24.990 7.869 1.00 22.60 C ATOM 736 O VAL A 100 19.323 -24.610 7.082 1.00 21.74 O ATOM 737 CB VAL A 100 19.234 -25.319 10.086 1.00 20.05 C ATOM 738 CG1 VAL A 100 19.489 -26.794 9.847 1.00 25.28 C ATOM 739 CG2 VAL A 100 19.352 -24.982 11.563 1.00 21.80 C ATOM 0 H VAL A 100 18.822 -23.033 9.204 1.00 12.09 H new ATOM 0 HA VAL A 100 21.106 -24.470 9.635 1.00 13.54 H new ATOM 0 HB VAL A 100 18.330 -25.131 9.787 1.00 20.05 H new ATOM 0 HG11 VAL A 100 18.860 -27.320 10.365 1.00 25.28 H new ATOM 0 HG12 VAL A 100 19.377 -26.993 8.904 1.00 25.28 H new ATOM 0 HG13 VAL A 100 20.394 -27.014 10.118 1.00 25.28 H new ATOM 0 HG21 VAL A 100 18.736 -25.532 12.071 1.00 21.80 H new ATOM 0 HG22 VAL A 100 20.259 -25.152 11.862 1.00 21.80 H new ATOM 0 HG23 VAL A 100 19.137 -24.046 11.700 1.00 21.80 H new ATOM 740 N ILE A 101 21.155 -25.857 7.553 1.00 14.80 N ATOM 741 CA ILE A 101 21.186 -26.483 6.231 1.00 14.15 C ATOM 742 C ILE A 101 20.941 -27.978 6.403 1.00 24.77 C ATOM 743 O ILE A 101 21.582 -28.624 7.240 1.00 19.93 O ATOM 744 CB ILE A 101 22.480 -26.278 5.491 1.00 16.61 C ATOM 745 CG1 ILE A 101 22.888 -24.822 5.482 1.00 17.83 C ATOM 746 CG2 ILE A 101 22.363 -26.772 4.060 1.00 24.67 C ATOM 747 CD1 ILE A 101 24.244 -24.649 4.809 1.00 18.30 C ATOM 0 H ILE A 101 21.790 -26.095 8.082 1.00 14.80 H new ATOM 0 HA ILE A 101 20.496 -26.059 5.697 1.00 14.15 H new ATOM 0 HB ILE A 101 23.160 -26.789 5.957 1.00 16.61 H new ATOM 0 HG12 ILE A 101 22.220 -24.297 5.014 1.00 17.83 H new ATOM 0 HG13 ILE A 101 22.927 -24.486 6.391 1.00 17.83 H new ATOM 0 HG21 ILE A 101 23.205 -26.632 3.599 1.00 24.67 H new ATOM 0 HG22 ILE A 101 22.149 -27.718 4.061 1.00 24.67 H new ATOM 0 HG23 ILE A 101 21.660 -26.282 3.605 1.00 24.67 H new ATOM 0 HD11 ILE A 101 24.490 -23.711 4.812 1.00 18.30 H new ATOM 0 HD12 ILE A 101 24.913 -25.159 5.292 1.00 18.30 H new ATOM 0 HD13 ILE A 101 24.194 -24.967 3.894 1.00 18.30 H new ATOM 748 N LYS A 102 19.994 -28.534 5.633 1.00 17.35 N ATOM 749 CA LYS A 102 19.705 -29.942 5.687 1.00 14.14 C ATOM 750 C LYS A 102 19.445 -30.403 4.253 1.00 26.41 C ATOM 751 O LYS A 102 18.629 -29.802 3.532 1.00 17.94 O ATOM 752 CB LYS A 102 18.528 -30.233 6.618 1.00 21.18 C ATOM 753 CG LYS A 102 18.188 -31.713 6.779 1.00 20.22 C ATOM 754 CD LYS A 102 19.370 -32.511 7.298 1.00 20.98 C ATOM 755 CE LYS A 102 19.020 -33.921 7.734 1.00 38.68 C ATOM 756 NZ LYS A 102 20.133 -34.564 8.446 1.00 78.26 N ATOM 0 H LYS A 102 19.512 -28.094 5.073 1.00 17.35 H new ATOM 0 HA LYS A 102 20.453 -30.435 6.058 1.00 14.14 H new ATOM 0 HB2 LYS A 102 18.725 -29.863 7.493 1.00 21.18 H new ATOM 0 HB3 LYS A 102 17.745 -29.769 6.283 1.00 21.18 H new ATOM 0 HG2 LYS A 102 17.440 -31.808 7.390 1.00 20.22 H new ATOM 0 HG3 LYS A 102 17.904 -32.074 5.925 1.00 20.22 H new ATOM 0 HD2 LYS A 102 20.047 -32.556 6.605 1.00 20.98 H new ATOM 0 HD3 LYS A 102 19.763 -32.038 8.049 1.00 20.98 H new ATOM 0 HE2 LYS A 102 18.239 -33.897 8.309 1.00 38.68 H new ATOM 0 HE3 LYS A 102 18.784 -34.451 6.956 1.00 38.68 H new ATOM 0 HZ1 LYS A 102 19.812 -35.068 9.105 1.00 78.26 H new ATOM 0 HZ2 LYS A 102 20.593 -35.074 7.880 1.00 78.26 H new ATOM 0 HZ3 LYS A 102 20.669 -33.940 8.785 1.00 78.26 H new ATOM 757 N ASP A 103 20.160 -31.446 3.834 1.00 20.50 N ATOM 758 CA ASP A 103 20.016 -31.938 2.479 1.00 21.77 C ATOM 759 C ASP A 103 20.151 -30.828 1.485 1.00 20.86 C ATOM 760 O ASP A 103 19.421 -30.768 0.507 1.00 26.99 O ATOM 761 CB ASP A 103 18.694 -32.672 2.251 1.00 23.74 C ATOM 762 CG ASP A 103 18.777 -33.981 2.949 1.00 30.92 C ATOM 763 OD1 ASP A 103 19.836 -34.452 3.321 1.00 45.46 O ATOM 764 OD2 ASP A 103 17.613 -34.516 3.159 1.00 45.48 O ATOM 0 H ASP A 103 20.727 -31.875 4.318 1.00 20.50 H new ATOM 0 HA ASP A 103 20.734 -32.578 2.349 1.00 21.77 H new ATOM 0 HB2 ASP A 103 17.952 -32.150 2.594 1.00 23.74 H new ATOM 0 HB3 ASP A 103 18.536 -32.801 1.303 1.00 23.74 H new ATOM 765 N GLY A 104 21.085 -29.945 1.766 1.00 17.04 N ATOM 766 CA GLY A 104 21.397 -28.847 0.884 1.00 21.20 C ATOM 767 C GLY A 104 20.432 -27.665 0.849 1.00 26.69 C ATOM 768 O GLY A 104 20.707 -26.706 0.124 1.00 31.28 O ATOM 0 H GLY A 104 21.561 -29.967 2.482 1.00 17.04 H new ATOM 0 HA2 GLY A 104 22.273 -28.509 1.127 1.00 21.20 H new ATOM 0 HA3 GLY A 104 21.469 -29.200 -0.017 1.00 21.20 H new ATOM 769 N PHE A 105 19.314 -27.724 1.606 1.00 20.62 N ATOM 770 CA PHE A 105 18.348 -26.617 1.602 1.00 18.33 C ATOM 771 C PHE A 105 18.415 -25.857 2.918 1.00 19.62 C ATOM 772 O PHE A 105 18.653 -26.469 3.973 1.00 17.23 O ATOM 773 CB PHE A 105 16.915 -27.103 1.332 1.00 19.13 C ATOM 774 CG PHE A 105 16.754 -27.448 -0.139 1.00 25.77 C ATOM 775 CD1 PHE A 105 16.222 -26.514 -1.034 1.00 31.26 C ATOM 776 CD2 PHE A 105 17.184 -28.684 -0.623 1.00 28.15 C ATOM 777 CE1 PHE A 105 16.069 -26.789 -2.394 1.00 28.31 C ATOM 778 CE2 PHE A 105 17.035 -28.987 -1.977 1.00 32.28 C ATOM 779 CZ PHE A 105 16.490 -28.040 -2.848 1.00 25.17 C ATOM 0 H PHE A 105 19.106 -28.384 2.116 1.00 20.62 H new ATOM 0 HA PHE A 105 18.590 -26.020 0.877 1.00 18.33 H new ATOM 0 HB2 PHE A 105 16.721 -27.881 1.878 1.00 19.13 H new ATOM 0 HB3 PHE A 105 16.279 -26.415 1.582 1.00 19.13 H new ATOM 0 HD1 PHE A 105 15.961 -25.681 -0.712 1.00 31.26 H new ATOM 0 HD2 PHE A 105 17.568 -29.303 -0.046 1.00 28.15 H new ATOM 0 HE1 PHE A 105 15.701 -26.163 -2.975 1.00 28.31 H new ATOM 0 HE2 PHE A 105 17.298 -29.819 -2.299 1.00 32.28 H new ATOM 0 HZ PHE A 105 16.406 -28.248 -3.751 1.00 25.17 H new ATOM 780 N HIS A 106 18.210 -24.546 2.830 1.00 16.55 N ATOM 781 CA HIS A 106 18.252 -23.682 4.011 1.00 18.65 C ATOM 782 C HIS A 106 16.887 -23.376 4.647 1.00 23.85 C ATOM 783 O HIS A 106 15.850 -23.318 3.972 1.00 24.03 O ATOM 784 CB HIS A 106 18.887 -22.328 3.637 1.00 16.21 C ATOM 785 CG HIS A 106 20.297 -22.366 3.164 1.00 18.55 C ATOM 786 ND1 HIS A 106 20.650 -23.000 1.991 1.00 21.55 N ATOM 787 CD2 HIS A 106 21.417 -21.811 3.708 1.00 22.63 C ATOM 788 CE1 HIS A 106 21.952 -22.831 1.842 1.00 22.56 C ATOM 789 NE2 HIS A 106 22.448 -22.105 2.854 1.00 23.44 N ATOM 0 H HIS A 106 18.044 -24.134 2.094 1.00 16.55 H new ATOM 0 HA HIS A 106 18.769 -24.181 4.662 1.00 18.65 H new ATOM 0 HB2 HIS A 106 18.345 -21.919 2.944 1.00 16.21 H new ATOM 0 HB3 HIS A 106 18.842 -21.747 4.412 1.00 16.21 H new ATOM 0 HD1 HIS A 106 20.124 -23.424 1.459 1.00 21.55 H new ATOM 0 HD2 HIS A 106 21.471 -21.329 4.501 1.00 22.63 H new ATOM 0 HE1 HIS A 106 22.453 -23.168 1.135 1.00 22.56 H new ATOM 790 N GLY A 107 16.904 -23.154 5.974 1.00 15.66 N ATOM 791 CA GLY A 107 15.729 -22.762 6.783 1.00 15.73 C ATOM 792 C GLY A 107 16.195 -21.572 7.621 1.00 20.97 C ATOM 793 O GLY A 107 17.194 -21.710 8.315 1.00 20.51 O ATOM 0 H GLY A 107 17.621 -23.230 6.442 1.00 15.66 H new ATOM 0 HA2 GLY A 107 14.980 -22.519 6.217 1.00 15.73 H new ATOM 0 HA3 GLY A 107 15.433 -23.493 7.348 1.00 15.73 H new ATOM 794 N ASP A 108 15.555 -20.405 7.531 1.00 14.97 N ATOM 795 CA ASP A 108 16.053 -19.232 8.230 1.00 14.86 C ATOM 796 C ASP A 108 14.963 -18.602 9.091 1.00 14.81 C ATOM 797 O ASP A 108 13.896 -18.334 8.573 1.00 14.23 O ATOM 798 CB ASP A 108 16.560 -18.271 7.115 1.00 14.03 C ATOM 799 CG ASP A 108 17.214 -16.980 7.529 1.00 16.23 C ATOM 800 OD1 ASP A 108 17.520 -16.091 6.730 1.00 17.69 O ATOM 801 OD2 ASP A 108 17.446 -16.930 8.807 1.00 16.33 O ATOM 0 H ASP A 108 14.838 -20.277 7.074 1.00 14.97 H new ATOM 0 HA ASP A 108 16.768 -19.450 8.848 1.00 14.86 H new ATOM 0 HB2 ASP A 108 17.193 -18.761 6.567 1.00 14.03 H new ATOM 0 HB3 ASP A 108 15.805 -18.051 6.548 1.00 14.03 H new ATOM 802 N THR A 109 15.172 -18.423 10.402 1.00 8.94 N ATOM 803 CA THR A 109 14.106 -17.878 11.219 1.00 7.50 C ATOM 804 C THR A 109 14.668 -17.268 12.495 1.00 13.87 C ATOM 805 O THR A 109 15.745 -17.662 12.925 1.00 14.89 O ATOM 806 CB THR A 109 13.038 -18.964 11.548 1.00 9.48 C ATOM 807 OG1 THR A 109 11.942 -18.432 12.275 1.00 14.64 O ATOM 808 CG2 THR A 109 13.631 -20.176 12.272 1.00 14.80 C ATOM 0 H THR A 109 15.902 -18.607 10.818 1.00 8.94 H new ATOM 0 HA THR A 109 13.668 -17.176 10.712 1.00 7.50 H new ATOM 0 HB THR A 109 12.706 -19.274 10.691 1.00 9.48 H new ATOM 0 HG1 THR A 109 11.726 -17.687 11.952 1.00 14.64 H new ATOM 0 HG21 THR A 109 12.929 -20.820 12.453 1.00 14.80 H new ATOM 0 HG22 THR A 109 14.310 -20.587 11.714 1.00 14.80 H new ATOM 0 HG23 THR A 109 14.031 -19.890 13.108 1.00 14.80 H new ATOM 809 N SER A 110 13.940 -16.342 13.097 1.00 12.02 N ATOM 810 CA SER A 110 14.410 -15.716 14.329 1.00 10.56 C ATOM 811 C SER A 110 13.238 -15.255 15.162 1.00 15.62 C ATOM 812 O SER A 110 12.120 -15.082 14.682 1.00 12.95 O ATOM 813 CB SER A 110 15.328 -14.525 14.061 1.00 10.18 C ATOM 814 OG SER A 110 14.530 -13.379 13.750 1.00 12.18 O ATOM 0 H SER A 110 13.178 -16.061 12.815 1.00 12.02 H new ATOM 0 HA SER A 110 14.919 -16.388 14.808 1.00 10.56 H new ATOM 0 HB2 SER A 110 15.881 -14.347 14.838 1.00 10.18 H new ATOM 0 HB3 SER A 110 15.928 -14.724 13.326 1.00 10.18 H new ATOM 0 HG SER A 110 14.863 -12.975 13.093 1.00 12.18 H new ATOM 815 N LYS A 111 13.490 -15.070 16.458 1.00 12.74 N ATOM 816 CA LYS A 111 12.455 -14.559 17.331 1.00 13.20 C ATOM 817 C LYS A 111 13.117 -13.803 18.464 1.00 11.59 C ATOM 818 O LYS A 111 14.332 -13.961 18.697 1.00 13.88 O ATOM 819 CB LYS A 111 11.466 -15.600 17.864 1.00 18.76 C ATOM 820 CG LYS A 111 12.134 -16.566 18.846 1.00 18.36 C ATOM 821 CD LYS A 111 11.140 -17.519 19.499 1.00 16.75 C ATOM 822 CE LYS A 111 10.467 -16.930 20.720 1.00 20.43 C ATOM 823 NZ LYS A 111 9.602 -17.926 21.375 1.00 24.72 N ATOM 0 H LYS A 111 14.243 -15.233 16.840 1.00 12.74 H new ATOM 0 HA LYS A 111 11.900 -13.975 16.791 1.00 13.20 H new ATOM 0 HB2 LYS A 111 10.728 -15.150 18.304 1.00 18.76 H new ATOM 0 HB3 LYS A 111 11.091 -16.100 17.122 1.00 18.76 H new ATOM 0 HG2 LYS A 111 12.811 -17.080 18.379 1.00 18.36 H new ATOM 0 HG3 LYS A 111 12.590 -16.058 19.535 1.00 18.36 H new ATOM 0 HD2 LYS A 111 10.462 -17.765 18.850 1.00 16.75 H new ATOM 0 HD3 LYS A 111 11.600 -18.334 19.752 1.00 16.75 H new ATOM 0 HE2 LYS A 111 11.139 -16.618 21.346 1.00 20.43 H new ATOM 0 HE3 LYS A 111 9.940 -16.158 20.462 1.00 20.43 H new ATOM 0 HZ1 LYS A 111 9.426 -17.665 22.208 1.00 24.72 H new ATOM 0 HZ2 LYS A 111 8.840 -18.002 20.921 1.00 24.72 H new ATOM 0 HZ3 LYS A 111 10.016 -18.713 21.393 1.00 24.72 H new ATOM 824 N MET A 112 12.289 -13.000 19.133 1.00 11.14 N ATOM 825 CA MET A 112 12.767 -12.242 20.262 1.00 11.01 C ATOM 826 C MET A 112 12.429 -13.014 21.549 1.00 20.30 C ATOM 827 O MET A 112 11.374 -13.665 21.675 1.00 15.75 O ATOM 828 CB MET A 112 12.007 -10.915 20.368 1.00 13.91 C ATOM 829 CG MET A 112 12.202 -9.960 19.202 1.00 11.14 C ATOM 830 SD MET A 112 13.952 -9.625 18.924 1.00 14.33 S ATOM 831 CE MET A 112 14.385 -8.620 20.395 1.00 14.05 C ATOM 0 H MET A 112 11.458 -12.888 18.944 1.00 11.14 H new ATOM 0 HA MET A 112 13.719 -12.095 20.151 1.00 11.01 H new ATOM 0 HB2 MET A 112 11.060 -11.108 20.454 1.00 13.91 H new ATOM 0 HB3 MET A 112 12.281 -10.467 21.183 1.00 13.91 H new ATOM 0 HG2 MET A 112 11.811 -10.340 18.400 1.00 11.14 H new ATOM 0 HG3 MET A 112 11.735 -9.129 19.379 1.00 11.14 H new ATOM 0 HE1 MET A 112 14.791 -7.787 20.110 1.00 14.05 H new ATOM 0 HE2 MET A 112 13.582 -8.430 20.905 1.00 14.05 H new ATOM 0 HE3 MET A 112 15.011 -9.111 20.950 1.00 14.05 H new ATOM 832 N PHE A 113 13.307 -12.913 22.535 1.00 13.81 N ATOM 833 CA PHE A 113 13.033 -13.516 23.832 1.00 13.18 C ATOM 834 C PHE A 113 13.179 -12.415 24.868 1.00 19.05 C ATOM 835 O PHE A 113 14.059 -11.573 24.728 1.00 21.94 O ATOM 836 CB PHE A 113 14.054 -14.587 24.183 1.00 14.06 C ATOM 837 CG PHE A 113 13.999 -15.825 23.301 1.00 17.57 C ATOM 838 CD1 PHE A 113 14.762 -15.884 22.136 1.00 17.18 C ATOM 839 CD2 PHE A 113 13.237 -16.936 23.684 1.00 19.57 C ATOM 840 CE1 PHE A 113 14.758 -17.052 21.378 1.00 17.48 C ATOM 841 CE2 PHE A 113 13.210 -18.108 22.927 1.00 17.35 C ATOM 842 CZ PHE A 113 13.988 -18.147 21.776 1.00 14.51 C ATOM 0 H PHE A 113 14.061 -12.504 22.477 1.00 13.81 H new ATOM 0 HA PHE A 113 12.150 -13.918 23.811 1.00 13.18 H new ATOM 0 HB2 PHE A 113 14.942 -14.202 24.125 1.00 14.06 H new ATOM 0 HB3 PHE A 113 13.920 -14.855 25.106 1.00 14.06 H new ATOM 0 HD1 PHE A 113 15.268 -15.151 21.868 1.00 17.18 H new ATOM 0 HD2 PHE A 113 12.735 -16.891 24.465 1.00 19.57 H new ATOM 0 HE1 PHE A 113 15.270 -17.103 20.603 1.00 17.48 H new ATOM 0 HE2 PHE A 113 12.691 -18.836 23.183 1.00 17.35 H new ATOM 0 HZ PHE A 113 13.996 -18.920 21.259 1.00 14.51 H new ATOM 843 N ILE A 114 12.318 -12.388 25.868 1.00 14.02 N ATOM 844 CA ILE A 114 12.450 -11.368 26.893 1.00 17.17 C ATOM 845 C ILE A 114 13.023 -12.062 28.123 1.00 19.94 C ATOM 846 O ILE A 114 12.485 -13.081 28.533 1.00 16.74 O ATOM 847 CB ILE A 114 11.136 -10.665 27.172 1.00 26.39 C ATOM 848 CG1 ILE A 114 10.721 -9.978 25.871 1.00 28.69 C ATOM 849 CG2 ILE A 114 11.342 -9.602 28.244 1.00 29.06 C ATOM 850 CD1 ILE A 114 9.428 -9.192 25.972 1.00 25.24 C ATOM 0 H ILE A 114 11.664 -12.936 25.973 1.00 14.02 H new ATOM 0 HA ILE A 114 13.044 -10.659 26.602 1.00 17.17 H new ATOM 0 HB ILE A 114 10.464 -11.294 27.477 1.00 26.39 H new ATOM 0 HG12 ILE A 114 11.431 -9.379 25.592 1.00 28.69 H new ATOM 0 HG13 ILE A 114 10.627 -10.650 25.177 1.00 28.69 H new ATOM 0 HG21 ILE A 114 10.500 -9.153 28.421 1.00 29.06 H new ATOM 0 HG22 ILE A 114 11.662 -10.021 29.058 1.00 29.06 H new ATOM 0 HG23 ILE A 114 11.995 -8.954 27.936 1.00 29.06 H new ATOM 0 HD11 ILE A 114 9.228 -8.786 25.114 1.00 25.24 H new ATOM 0 HD12 ILE A 114 8.705 -9.788 26.223 1.00 25.24 H new ATOM 0 HD13 ILE A 114 9.522 -8.498 26.644 1.00 25.24 H new ATOM 851 N VAL A 115 14.128 -11.533 28.660 1.00 16.87 N ATOM 852 CA VAL A 115 14.820 -12.115 29.809 1.00 19.40 C ATOM 853 C VAL A 115 14.258 -11.646 31.137 1.00 21.24 C ATOM 854 O VAL A 115 14.202 -10.442 31.409 1.00 20.68 O ATOM 855 CB VAL A 115 16.321 -11.805 29.787 1.00 20.57 C ATOM 856 CG1 VAL A 115 17.043 -12.551 30.905 1.00 19.35 C ATOM 857 CG2 VAL A 115 16.931 -12.155 28.432 1.00 19.19 C ATOM 0 H VAL A 115 14.499 -10.817 28.361 1.00 16.87 H new ATOM 0 HA VAL A 115 14.678 -13.071 29.730 1.00 19.40 H new ATOM 0 HB VAL A 115 16.431 -10.852 29.932 1.00 20.57 H new ATOM 0 HG11 VAL A 115 17.990 -12.342 30.875 1.00 19.35 H new ATOM 0 HG12 VAL A 115 16.680 -12.280 31.763 1.00 19.35 H new ATOM 0 HG13 VAL A 115 16.919 -13.506 30.790 1.00 19.35 H new ATOM 0 HG21 VAL A 115 17.879 -11.951 28.441 1.00 19.19 H new ATOM 0 HG22 VAL A 115 16.806 -13.100 28.255 1.00 19.19 H new ATOM 0 HG23 VAL A 115 16.496 -11.636 27.737 1.00 19.19 H new ATOM 858 N GLY A 116 13.876 -12.613 31.952 1.00 19.89 N ATOM 859 CA GLY A 116 13.332 -12.286 33.246 1.00 27.53 C ATOM 860 C GLY A 116 12.127 -11.352 33.162 1.00 30.25 C ATOM 861 O GLY A 116 11.233 -11.516 32.339 1.00 29.99 O ATOM 0 H GLY A 116 13.924 -13.453 31.775 1.00 19.89 H new ATOM 0 HA2 GLY A 116 13.072 -13.103 33.699 1.00 27.53 H new ATOM 0 HA3 GLY A 116 14.022 -11.870 33.786 1.00 27.53 H new ATOM 862 N LYS A 117 12.110 -10.348 34.031 1.00 28.33 N ATOM 863 CA LYS A 117 11.013 -9.394 34.062 1.00 27.57 C ATOM 864 C LYS A 117 11.139 -8.376 32.926 1.00 26.42 C ATOM 865 O LYS A 117 12.149 -7.678 32.795 1.00 27.61 O ATOM 866 CB LYS A 117 10.918 -8.750 35.435 1.00 31.07 C ATOM 0 H LYS A 117 12.727 -10.203 34.612 1.00 28.33 H new ATOM 0 HA LYS A 117 10.177 -9.862 33.911 1.00 27.57 H new ATOM 867 N PRO A 118 10.113 -8.328 32.074 1.00 27.86 N ATOM 868 CA PRO A 118 10.122 -7.435 30.915 1.00 26.33 C ATOM 869 C PRO A 118 9.916 -5.994 31.288 1.00 31.48 C ATOM 870 O PRO A 118 9.372 -5.704 32.359 1.00 36.70 O ATOM 871 CB PRO A 118 8.945 -7.851 30.026 1.00 24.58 C ATOM 872 CG PRO A 118 8.037 -8.679 30.919 1.00 29.94 C ATOM 873 CD PRO A 118 8.857 -9.123 32.136 1.00 23.23 C ATOM 0 HA PRO A 118 10.985 -7.508 30.479 1.00 26.33 H new ATOM 0 HB2 PRO A 118 8.479 -7.075 29.677 1.00 24.58 H new ATOM 0 HB3 PRO A 118 9.249 -8.366 29.262 1.00 24.58 H new ATOM 0 HG2 PRO A 118 7.268 -8.158 31.199 1.00 29.94 H new ATOM 0 HG3 PRO A 118 7.698 -9.450 30.438 1.00 29.94 H new ATOM 0 HD2 PRO A 118 8.377 -8.955 32.962 1.00 23.23 H new ATOM 0 HD3 PRO A 118 9.043 -10.074 32.105 1.00 23.23 H new ATOM 874 N THR A 119 10.347 -5.099 30.391 1.00 21.24 N ATOM 875 CA THR A 119 10.139 -3.670 30.576 1.00 19.23 C ATOM 876 C THR A 119 8.932 -3.368 29.707 1.00 26.08 C ATOM 877 O THR A 119 8.578 -4.199 28.850 1.00 21.64 O ATOM 878 CB THR A 119 11.306 -2.748 30.199 1.00 22.43 C ATOM 879 OG1 THR A 119 11.559 -2.811 28.830 1.00 23.21 O ATOM 880 CG2 THR A 119 12.586 -3.171 30.892 1.00 30.94 C ATOM 0 H THR A 119 10.763 -5.307 29.668 1.00 21.24 H new ATOM 0 HA THR A 119 10.031 -3.488 31.523 1.00 19.23 H new ATOM 0 HB THR A 119 11.049 -1.853 30.469 1.00 22.43 H new ATOM 0 HG1 THR A 119 11.708 -3.608 28.609 1.00 23.21 H new ATOM 0 HG21 THR A 119 13.305 -2.573 30.636 1.00 30.94 H new ATOM 0 HG22 THR A 119 12.461 -3.134 31.853 1.00 30.94 H new ATOM 0 HG23 THR A 119 12.812 -4.077 30.630 1.00 30.94 H new ATOM 881 N ILE A 120 8.287 -2.229 29.939 1.00 22.52 N ATOM 882 CA ILE A 120 7.114 -1.866 29.155 1.00 21.09 C ATOM 883 C ILE A 120 7.497 -1.689 27.678 1.00 20.94 C ATOM 884 O ILE A 120 6.844 -2.240 26.766 1.00 16.52 O ATOM 885 CB ILE A 120 6.348 -0.705 29.789 1.00 20.09 C ATOM 886 CG1 ILE A 120 5.696 -1.164 31.116 1.00 21.13 C ATOM 887 CG2 ILE A 120 5.263 -0.136 28.865 1.00 15.93 C ATOM 0 H ILE A 120 8.511 -1.657 30.541 1.00 22.52 H new ATOM 0 HA ILE A 120 6.471 -2.592 29.165 1.00 21.09 H new ATOM 0 HB ILE A 120 6.993 0.000 29.953 1.00 20.09 H new ATOM 0 HG21 ILE A 120 4.808 0.595 29.312 1.00 15.93 H new ATOM 0 HG22 ILE A 120 5.672 0.189 28.048 1.00 15.93 H new ATOM 0 HG23 ILE A 120 4.622 -0.832 28.651 1.00 15.93 H new ATOM 888 N MET A 121 8.580 -0.945 27.465 1.00 22.11 N ATOM 889 CA MET A 121 9.097 -0.673 26.125 1.00 25.99 C ATOM 890 C MET A 121 9.483 -1.941 25.383 1.00 26.00 C ATOM 891 O MET A 121 9.180 -2.131 24.218 1.00 23.07 O ATOM 892 CB MET A 121 10.359 0.215 26.156 1.00 31.00 C ATOM 893 CG MET A 121 10.276 1.461 25.288 1.00 44.20 C ATOM 894 SD MET A 121 9.283 1.270 23.776 1.00 55.15 S ATOM 895 CE MET A 121 7.897 2.428 24.026 1.00 44.76 C ATOM 0 H MET A 121 9.038 -0.582 28.096 1.00 22.11 H new ATOM 0 HA MET A 121 8.369 -0.221 25.670 1.00 25.99 H new ATOM 0 HB2 MET A 121 10.529 0.484 27.072 1.00 31.00 H new ATOM 0 HB3 MET A 121 11.120 -0.314 25.870 1.00 31.00 H new ATOM 0 HG2 MET A 121 9.903 2.184 25.816 1.00 44.20 H new ATOM 0 HG3 MET A 121 11.175 1.727 25.038 1.00 44.20 H new ATOM 0 HE1 MET A 121 7.305 2.395 23.258 1.00 44.76 H new ATOM 0 HE2 MET A 121 7.406 2.177 24.824 1.00 44.76 H new ATOM 0 HE3 MET A 121 8.242 3.329 24.129 1.00 44.76 H new ATOM 896 N GLY A 122 10.211 -2.811 26.048 1.00 19.41 N ATOM 897 CA GLY A 122 10.647 -4.015 25.379 1.00 16.34 C ATOM 898 C GLY A 122 9.483 -4.898 24.945 1.00 21.09 C ATOM 899 O GLY A 122 9.438 -5.455 23.845 1.00 22.52 O ATOM 0 H GLY A 122 10.459 -2.729 26.867 1.00 19.41 H new ATOM 0 HA2 GLY A 122 11.175 -3.776 24.601 1.00 16.34 H new ATOM 0 HA3 GLY A 122 11.227 -4.518 25.971 1.00 16.34 H new ATOM 900 N GLU A 123 8.531 -5.072 25.832 1.00 16.22 N ATOM 901 CA GLU A 123 7.407 -5.911 25.516 1.00 18.20 C ATOM 902 C GLU A 123 6.626 -5.355 24.328 1.00 24.79 C ATOM 903 O GLU A 123 6.296 -6.049 23.349 1.00 22.54 O ATOM 904 CB GLU A 123 6.535 -6.049 26.760 1.00 20.86 C ATOM 905 CG GLU A 123 5.424 -7.095 26.604 1.00 37.83 C ATOM 906 CD GLU A 123 4.783 -7.466 27.925 1.00 95.92 C ATOM 907 OE1 GLU A 123 3.778 -8.149 28.004 1.00100.00 O ATOM 908 OE2 GLU A 123 5.400 -6.975 28.979 1.00 70.61 O ATOM 0 H GLU A 123 8.516 -4.717 26.615 1.00 16.22 H new ATOM 0 HA GLU A 123 7.717 -6.792 25.252 1.00 18.20 H new ATOM 0 HB2 GLU A 123 7.094 -6.289 27.515 1.00 20.86 H new ATOM 0 HB3 GLU A 123 6.136 -5.189 26.965 1.00 20.86 H new ATOM 0 HG2 GLU A 123 4.744 -6.752 26.003 1.00 37.83 H new ATOM 0 HG3 GLU A 123 5.791 -7.892 26.191 1.00 37.83 H new ATOM 909 N ARG A 124 6.353 -4.063 24.425 1.00 16.06 N ATOM 910 CA ARG A 124 5.634 -3.383 23.394 1.00 14.17 C ATOM 911 C ARG A 124 6.337 -3.506 22.048 1.00 20.04 C ATOM 912 O ARG A 124 5.706 -3.837 21.023 1.00 18.92 O ATOM 913 CB ARG A 124 5.497 -1.934 23.761 1.00 17.73 C ATOM 914 CG ARG A 124 4.657 -1.237 22.722 1.00 20.56 C ATOM 915 CD ARG A 124 4.143 0.130 23.127 1.00 22.11 C ATOM 916 NE ARG A 124 3.154 0.437 22.132 1.00 32.73 N ATOM 917 CZ ARG A 124 3.428 1.342 21.263 1.00 29.71 C ATOM 918 NH1 ARG A 124 4.581 1.999 21.363 1.00 43.48 N ATOM 919 NH2 ARG A 124 2.538 1.599 20.310 1.00 32.64 N ATOM 0 H ARG A 124 6.582 -3.568 25.090 1.00 16.06 H new ATOM 0 HA ARG A 124 4.759 -3.793 23.311 1.00 14.17 H new ATOM 0 HB2 ARG A 124 5.086 -1.848 24.636 1.00 17.73 H new ATOM 0 HB3 ARG A 124 6.372 -1.519 23.817 1.00 17.73 H new ATOM 0 HG2 ARG A 124 5.181 -1.144 21.911 1.00 20.56 H new ATOM 0 HG3 ARG A 124 3.899 -1.802 22.506 1.00 20.56 H new ATOM 0 HD2 ARG A 124 3.759 0.116 24.017 1.00 22.11 H new ATOM 0 HD3 ARG A 124 4.855 0.789 23.136 1.00 22.11 H new ATOM 0 HE ARG A 124 2.399 0.026 22.118 1.00 32.73 H new ATOM 0 HH11 ARG A 124 5.127 1.814 22.001 1.00 43.48 H new ATOM 0 HH12 ARG A 124 4.780 2.608 20.789 1.00 43.48 H new ATOM 0 HH21 ARG A 124 1.797 1.163 20.285 1.00 32.64 H new ATOM 0 HH22 ARG A 124 2.703 2.201 19.719 1.00 32.64 H new ATOM 920 N LEU A 125 7.645 -3.226 22.057 1.00 15.99 N ATOM 921 CA LEU A 125 8.424 -3.275 20.826 1.00 18.05 C ATOM 922 C LEU A 125 8.427 -4.654 20.189 1.00 19.49 C ATOM 923 O LEU A 125 8.342 -4.788 18.964 1.00 18.51 O ATOM 924 CB LEU A 125 9.860 -2.761 21.017 1.00 15.63 C ATOM 925 CG LEU A 125 10.754 -2.844 19.774 1.00 18.20 C ATOM 926 CD1 LEU A 125 10.296 -1.856 18.692 1.00 19.53 C ATOM 927 CD2 LEU A 125 12.164 -2.469 20.221 1.00 19.53 C ATOM 0 H LEU A 125 8.091 -3.008 22.759 1.00 15.99 H new ATOM 0 HA LEU A 125 7.975 -2.672 20.213 1.00 18.05 H new ATOM 0 HB2 LEU A 125 9.821 -1.837 21.309 1.00 15.63 H new ATOM 0 HB3 LEU A 125 10.277 -3.267 21.732 1.00 15.63 H new ATOM 0 HG LEU A 125 10.714 -3.737 19.397 1.00 18.20 H new ATOM 0 HD11 LEU A 125 10.878 -1.930 17.919 1.00 19.53 H new ATOM 0 HD12 LEU A 125 9.385 -2.061 18.431 1.00 19.53 H new ATOM 0 HD13 LEU A 125 10.336 -0.952 19.041 1.00 19.53 H new ATOM 0 HD21 LEU A 125 12.766 -2.509 19.461 1.00 19.53 H new ATOM 0 HD22 LEU A 125 12.160 -1.569 20.583 1.00 19.53 H new ATOM 0 HD23 LEU A 125 12.463 -3.090 20.903 1.00 19.53 H new ATOM 928 N CYS A 126 8.547 -5.684 21.028 1.00 13.74 N ATOM 929 CA CYS A 126 8.566 -7.009 20.489 1.00 14.24 C ATOM 930 C CYS A 126 7.212 -7.343 19.881 1.00 20.53 C ATOM 931 O CYS A 126 7.081 -7.973 18.824 1.00 16.88 O ATOM 932 CB CYS A 126 8.900 -8.036 21.572 1.00 15.11 C ATOM 933 SG CYS A 126 10.651 -7.932 22.026 1.00 18.95 S ATOM 0 H CYS A 126 8.616 -5.626 21.883 1.00 13.74 H new ATOM 0 HA CYS A 126 9.251 -7.044 19.803 1.00 14.24 H new ATOM 0 HB2 CYS A 126 8.348 -7.881 22.354 1.00 15.11 H new ATOM 0 HB3 CYS A 126 8.695 -8.929 21.253 1.00 15.11 H new ATOM 0 HG CYS A 126 10.810 -7.035 22.807 1.00 18.95 H new ATOM 934 N ARG A 127 6.179 -6.957 20.592 1.00 14.15 N ATOM 935 CA ARG A 127 4.840 -7.242 20.114 1.00 15.44 C ATOM 936 C ARG A 127 4.515 -6.619 18.759 1.00 18.35 C ATOM 937 O ARG A 127 3.909 -7.244 17.886 1.00 17.24 O ATOM 938 CB ARG A 127 3.826 -6.750 21.123 1.00 20.72 C ATOM 939 CG ARG A 127 2.435 -7.177 20.721 1.00 18.14 C ATOM 940 CD ARG A 127 1.432 -6.737 21.771 1.00 30.68 C ATOM 941 NE ARG A 127 1.157 -5.336 21.575 1.00 54.80 N ATOM 942 CZ ARG A 127 1.430 -4.415 22.467 1.00 62.45 C ATOM 943 NH1 ARG A 127 1.976 -4.731 23.656 1.00 36.36 N ATOM 944 NH2 ARG A 127 1.125 -3.157 22.137 1.00 37.23 N ATOM 0 H ARG A 127 6.223 -6.536 21.341 1.00 14.15 H new ATOM 0 HA ARG A 127 4.798 -8.205 20.001 1.00 15.44 H new ATOM 0 HB2 ARG A 127 4.038 -7.102 22.002 1.00 20.72 H new ATOM 0 HB3 ARG A 127 3.868 -5.783 21.188 1.00 20.72 H new ATOM 0 HG2 ARG A 127 2.206 -6.790 19.862 1.00 18.14 H new ATOM 0 HG3 ARG A 127 2.402 -8.141 20.616 1.00 18.14 H new ATOM 0 HD2 ARG A 127 0.615 -7.255 21.696 1.00 30.68 H new ATOM 0 HD3 ARG A 127 1.785 -6.891 22.661 1.00 30.68 H new ATOM 0 HE ARG A 127 0.795 -5.091 20.834 1.00 54.80 H new ATOM 0 HH11 ARG A 127 2.153 -5.551 23.843 1.00 36.36 H new ATOM 0 HH12 ARG A 127 2.148 -4.112 24.228 1.00 36.36 H new ATOM 0 HH21 ARG A 127 0.769 -2.987 21.373 1.00 37.23 H new ATOM 0 HH22 ARG A 127 1.285 -2.517 22.689 1.00 37.23 H new ATOM 945 N ILE A 128 4.880 -5.360 18.626 1.00 13.68 N ATOM 946 CA ILE A 128 4.610 -4.630 17.425 1.00 16.40 C ATOM 947 C ILE A 128 5.401 -5.182 16.275 1.00 16.60 C ATOM 948 O ILE A 128 4.917 -5.221 15.143 1.00 19.36 O ATOM 949 CB ILE A 128 4.941 -3.155 17.566 1.00 23.65 C ATOM 950 CG1 ILE A 128 4.052 -2.457 18.598 1.00 28.62 C ATOM 951 CG2 ILE A 128 4.835 -2.474 16.205 1.00 19.97 C ATOM 952 CD1 ILE A 128 2.620 -2.948 18.583 1.00 28.82 C ATOM 0 H ILE A 128 5.291 -4.910 19.233 1.00 13.68 H new ATOM 0 HA ILE A 128 3.660 -4.725 17.256 1.00 16.40 H new ATOM 0 HB ILE A 128 5.852 -3.083 17.892 1.00 23.65 H new ATOM 0 HG12 ILE A 128 4.425 -2.594 19.483 1.00 28.62 H new ATOM 0 HG13 ILE A 128 4.062 -1.502 18.431 1.00 28.62 H new ATOM 0 HG21 ILE A 128 5.047 -1.532 16.297 1.00 19.97 H new ATOM 0 HG22 ILE A 128 5.459 -2.886 15.587 1.00 19.97 H new ATOM 0 HG23 ILE A 128 3.932 -2.570 15.864 1.00 19.97 H new ATOM 0 HD11 ILE A 128 2.107 -2.472 19.255 1.00 28.82 H new ATOM 0 HD12 ILE A 128 2.232 -2.789 17.708 1.00 28.82 H new ATOM 0 HD13 ILE A 128 2.602 -3.898 18.776 1.00 28.82 H new ATOM 953 N THR A 129 6.631 -5.589 16.562 1.00 11.30 N ATOM 954 CA THR A 129 7.454 -6.135 15.514 1.00 8.83 C ATOM 955 C THR A 129 6.860 -7.449 14.999 1.00 13.52 C ATOM 956 O THR A 129 6.808 -7.719 13.793 1.00 14.86 O ATOM 957 CB THR A 129 8.884 -6.359 16.005 1.00 15.10 C ATOM 958 OG1 THR A 129 9.385 -5.124 16.434 1.00 18.57 O ATOM 959 CG2 THR A 129 9.794 -6.847 14.884 1.00 17.54 C ATOM 0 H THR A 129 6.995 -5.556 17.341 1.00 11.30 H new ATOM 0 HA THR A 129 7.478 -5.495 14.785 1.00 8.83 H new ATOM 0 HB THR A 129 8.866 -7.025 16.710 1.00 15.10 H new ATOM 0 HG1 THR A 129 9.100 -4.959 17.207 1.00 18.57 H new ATOM 0 HG21 THR A 129 10.691 -6.979 15.229 1.00 17.54 H new ATOM 0 HG22 THR A 129 9.456 -7.687 14.535 1.00 17.54 H new ATOM 0 HG23 THR A 129 9.815 -6.187 14.174 1.00 17.54 H new ATOM 960 N GLN A 130 6.418 -8.309 15.907 1.00 12.03 N ATOM 961 CA GLN A 130 5.857 -9.566 15.451 1.00 13.50 C ATOM 962 C GLN A 130 4.598 -9.325 14.623 1.00 21.25 C ATOM 963 O GLN A 130 4.362 -9.939 13.589 1.00 16.33 O ATOM 964 CB GLN A 130 5.493 -10.485 16.622 1.00 13.03 C ATOM 965 CG GLN A 130 5.105 -11.888 16.103 1.00 15.97 C ATOM 966 CD GLN A 130 4.837 -12.854 17.236 1.00 17.63 C ATOM 967 OE1 GLN A 130 4.102 -12.500 18.171 1.00 22.22 O ATOM 968 NE2 GLN A 130 5.418 -14.047 17.182 1.00 17.71 N ATOM 0 H GLN A 130 6.433 -8.190 16.759 1.00 12.03 H new ATOM 0 HA GLN A 130 6.539 -9.995 14.910 1.00 13.50 H new ATOM 0 HB2 GLN A 130 6.244 -10.555 17.232 1.00 13.03 H new ATOM 0 HB3 GLN A 130 4.755 -10.104 17.123 1.00 13.03 H new ATOM 0 HG2 GLN A 130 4.315 -11.819 15.544 1.00 15.97 H new ATOM 0 HG3 GLN A 130 5.818 -12.235 15.545 1.00 15.97 H new ATOM 0 HE21 GLN A 130 5.920 -14.251 16.514 1.00 17.71 H new ATOM 0 HE22 GLN A 130 5.292 -14.616 17.815 1.00 17.71 H new ATOM 969 N GLU A 131 3.766 -8.413 15.119 1.00 15.85 N ATOM 970 CA GLU A 131 2.526 -8.078 14.450 1.00 12.42 C ATOM 971 C GLU A 131 2.816 -7.558 13.058 1.00 16.30 C ATOM 972 O GLU A 131 2.046 -7.795 12.144 1.00 18.52 O ATOM 973 CB GLU A 131 1.783 -6.985 15.238 1.00 13.03 C ATOM 974 CG GLU A 131 1.061 -7.503 16.505 1.00 21.69 C ATOM 975 CD GLU A 131 0.218 -6.452 17.213 1.00 50.63 C ATOM 976 OE1 GLU A 131 -0.236 -5.462 16.663 1.00 60.72 O ATOM 977 OE2 GLU A 131 0.010 -6.713 18.481 1.00 65.52 O ATOM 0 H GLU A 131 3.908 -7.977 15.847 1.00 15.85 H new ATOM 0 HA GLU A 131 1.978 -8.876 14.397 1.00 12.42 H new ATOM 0 HB2 GLU A 131 2.417 -6.298 15.496 1.00 13.03 H new ATOM 0 HB3 GLU A 131 1.132 -6.565 14.655 1.00 13.03 H new ATOM 0 HG2 GLU A 131 0.491 -8.249 16.259 1.00 21.69 H new ATOM 0 HG3 GLU A 131 1.723 -7.845 17.126 1.00 21.69 H new ATOM 978 N SER A 132 3.892 -6.805 12.906 1.00 11.90 N ATOM 979 CA SER A 132 4.204 -6.273 11.579 1.00 10.27 C ATOM 980 C SER A 132 4.588 -7.419 10.651 1.00 18.33 C ATOM 981 O SER A 132 4.330 -7.403 9.449 1.00 17.31 O ATOM 982 CB SER A 132 5.267 -5.204 11.658 1.00 14.65 C ATOM 983 OG SER A 132 6.554 -5.795 11.704 1.00 17.24 O ATOM 0 H SER A 132 4.442 -6.592 13.532 1.00 11.90 H new ATOM 0 HA SER A 132 3.418 -5.842 11.209 1.00 10.27 H new ATOM 0 HB2 SER A 132 5.201 -4.616 10.889 1.00 14.65 H new ATOM 0 HB3 SER A 132 5.127 -4.657 12.447 1.00 14.65 H new ATOM 0 HG SER A 132 6.576 -6.372 12.314 1.00 17.24 H new ATOM 984 N LEU A 133 5.203 -8.460 11.199 1.00 13.07 N ATOM 985 CA LEU A 133 5.564 -9.587 10.343 1.00 11.43 C ATOM 986 C LEU A 133 4.309 -10.368 9.953 1.00 17.26 C ATOM 987 O LEU A 133 4.105 -10.814 8.814 1.00 16.63 O ATOM 988 CB LEU A 133 6.582 -10.502 11.069 1.00 11.49 C ATOM 989 CG LEU A 133 6.778 -11.902 10.476 1.00 17.15 C ATOM 990 CD1 LEU A 133 7.453 -11.865 9.111 1.00 15.15 C ATOM 991 CD2 LEU A 133 7.648 -12.706 11.424 1.00 20.72 C ATOM 0 H LEU A 133 5.414 -8.536 12.029 1.00 13.07 H new ATOM 0 HA LEU A 133 5.980 -9.253 9.533 1.00 11.43 H new ATOM 0 HB2 LEU A 133 7.442 -10.053 11.080 1.00 11.49 H new ATOM 0 HB3 LEU A 133 6.300 -10.599 11.992 1.00 11.49 H new ATOM 0 HG LEU A 133 5.902 -12.304 10.362 1.00 17.15 H new ATOM 0 HD11 LEU A 133 7.556 -12.770 8.776 1.00 15.15 H new ATOM 0 HD12 LEU A 133 6.908 -11.352 8.494 1.00 15.15 H new ATOM 0 HD13 LEU A 133 8.326 -11.450 9.193 1.00 15.15 H new ATOM 0 HD21 LEU A 133 7.782 -13.596 11.064 1.00 20.72 H new ATOM 0 HD22 LEU A 133 8.506 -12.266 11.527 1.00 20.72 H new ATOM 0 HD23 LEU A 133 7.212 -12.770 12.288 1.00 20.72 H new ATOM 992 N TYR A 134 3.449 -10.545 10.928 1.00 11.97 N ATOM 993 CA TYR A 134 2.231 -11.280 10.663 1.00 12.48 C ATOM 994 C TYR A 134 1.389 -10.547 9.608 1.00 17.69 C ATOM 995 O TYR A 134 0.811 -11.140 8.710 1.00 18.50 O ATOM 996 CB TYR A 134 1.430 -11.439 11.951 1.00 12.79 C ATOM 997 CG TYR A 134 1.931 -12.554 12.825 1.00 14.19 C ATOM 998 CD1 TYR A 134 3.069 -13.302 12.514 1.00 16.98 C ATOM 999 CD2 TYR A 134 1.217 -12.881 13.980 1.00 21.29 C ATOM 1000 CE1 TYR A 134 3.474 -14.357 13.340 1.00 13.38 C ATOM 1001 CE2 TYR A 134 1.594 -13.943 14.808 1.00 21.76 C ATOM 1002 CZ TYR A 134 2.735 -14.677 14.484 1.00 20.87 C ATOM 1003 OH TYR A 134 3.114 -15.715 15.297 1.00 21.38 O ATOM 0 H TYR A 134 3.543 -10.257 11.733 1.00 11.97 H new ATOM 0 HA TYR A 134 2.462 -12.159 10.323 1.00 12.48 H new ATOM 0 HB2 TYR A 134 1.460 -10.607 12.449 1.00 12.79 H new ATOM 0 HB3 TYR A 134 0.500 -11.603 11.729 1.00 12.79 H new ATOM 0 HD1 TYR A 134 3.561 -13.097 11.752 1.00 16.98 H new ATOM 0 HD2 TYR A 134 0.468 -12.377 14.205 1.00 21.29 H new ATOM 0 HE1 TYR A 134 4.236 -14.846 13.128 1.00 13.38 H new ATOM 0 HE2 TYR A 134 1.093 -14.156 15.562 1.00 21.76 H new ATOM 0 HH TYR A 134 3.898 -15.949 15.106 1.00 21.38 H new ATOM 1004 N LEU A 135 1.310 -9.241 9.716 1.00 14.29 N ATOM 1005 CA LEU A 135 0.540 -8.464 8.756 1.00 17.57 C ATOM 1006 C LEU A 135 1.034 -8.743 7.335 1.00 15.13 C ATOM 1007 O LEU A 135 0.248 -8.952 6.402 1.00 15.75 O ATOM 1008 CB LEU A 135 0.749 -6.983 9.126 1.00 23.81 C ATOM 1009 CG LEU A 135 -0.050 -5.959 8.346 1.00 38.27 C ATOM 1010 CD1 LEU A 135 0.108 -4.636 9.086 1.00 45.30 C ATOM 1011 CD2 LEU A 135 0.531 -5.812 6.944 1.00 45.20 C ATOM 0 H LEU A 135 1.691 -8.779 10.333 1.00 14.29 H new ATOM 0 HA LEU A 135 -0.401 -8.697 8.784 1.00 17.57 H new ATOM 0 HB2 LEU A 135 0.540 -6.875 10.067 1.00 23.81 H new ATOM 0 HB3 LEU A 135 1.691 -6.776 9.019 1.00 23.81 H new ATOM 0 HG LEU A 135 -0.980 -6.224 8.272 1.00 38.27 H new ATOM 0 HD11 LEU A 135 -0.389 -3.944 8.622 1.00 45.30 H new ATOM 0 HD12 LEU A 135 -0.233 -4.728 9.989 1.00 45.30 H new ATOM 0 HD13 LEU A 135 1.047 -4.393 9.118 1.00 45.30 H new ATOM 0 HD21 LEU A 135 0.017 -5.156 6.448 1.00 45.20 H new ATOM 0 HD22 LEU A 135 1.454 -5.520 7.005 1.00 45.20 H new ATOM 0 HD23 LEU A 135 0.492 -6.666 6.486 1.00 45.20 H new ATOM 1012 N ALA A 136 2.356 -8.736 7.182 1.00 13.06 N ATOM 1013 CA ALA A 136 2.991 -9.000 5.911 1.00 13.77 C ATOM 1014 C ALA A 136 2.664 -10.385 5.371 1.00 25.27 C ATOM 1015 O ALA A 136 2.421 -10.585 4.168 1.00 16.21 O ATOM 1016 CB ALA A 136 4.494 -8.892 6.086 1.00 17.51 C ATOM 0 H ALA A 136 2.907 -8.576 7.822 1.00 13.06 H new ATOM 0 HA ALA A 136 2.657 -8.348 5.275 1.00 13.77 H new ATOM 0 HB1 ALA A 136 4.932 -9.067 5.239 1.00 17.51 H new ATOM 0 HB2 ALA A 136 4.721 -7.999 6.388 1.00 17.51 H new ATOM 0 HB3 ALA A 136 4.791 -9.541 6.743 1.00 17.51 H new ATOM 1017 N LEU A 137 2.707 -11.375 6.265 1.00 18.55 N ATOM 1018 CA LEU A 137 2.411 -12.749 5.871 1.00 16.87 C ATOM 1019 C LEU A 137 1.004 -12.885 5.315 1.00 19.04 C ATOM 1020 O LEU A 137 0.765 -13.659 4.400 1.00 16.48 O ATOM 1021 CB LEU A 137 2.547 -13.680 7.091 1.00 13.06 C ATOM 1022 CG LEU A 137 4.002 -13.762 7.523 1.00 17.98 C ATOM 1023 CD1 LEU A 137 4.154 -14.567 8.824 1.00 16.16 C ATOM 1024 CD2 LEU A 137 4.774 -14.444 6.409 1.00 21.88 C ATOM 0 H LEU A 137 2.904 -11.272 7.096 1.00 18.55 H new ATOM 0 HA LEU A 137 3.044 -12.995 5.178 1.00 16.87 H new ATOM 0 HB2 LEU A 137 2.003 -13.349 7.822 1.00 13.06 H new ATOM 0 HB3 LEU A 137 2.217 -14.565 6.870 1.00 13.06 H new ATOM 0 HG LEU A 137 4.342 -12.869 7.690 1.00 17.98 H new ATOM 0 HD11 LEU A 137 5.090 -14.603 9.075 1.00 16.16 H new ATOM 0 HD12 LEU A 137 3.646 -14.139 9.531 1.00 16.16 H new ATOM 0 HD13 LEU A 137 3.822 -15.468 8.688 1.00 16.16 H new ATOM 0 HD21 LEU A 137 5.709 -14.511 6.657 1.00 21.88 H new ATOM 0 HD22 LEU A 137 4.414 -15.333 6.263 1.00 21.88 H new ATOM 0 HD23 LEU A 137 4.692 -13.925 5.594 1.00 21.88 H new ATOM 1025 N ARG A 138 0.069 -12.158 5.922 1.00 18.59 N ATOM 1026 CA ARG A 138 -1.334 -12.220 5.511 1.00 20.95 C ATOM 1027 C ARG A 138 -1.569 -11.630 4.146 1.00 23.96 C ATOM 1028 O ARG A 138 -2.645 -11.818 3.577 1.00 24.09 O ATOM 1029 CB ARG A 138 -2.246 -11.479 6.467 1.00 18.47 C ATOM 1030 CG ARG A 138 -2.475 -12.269 7.736 1.00 20.06 C ATOM 1031 CD ARG A 138 -3.470 -11.600 8.683 1.00 39.50 C ATOM 1032 NE ARG A 138 -2.861 -10.708 9.670 1.00 48.13 N ATOM 1033 CZ ARG A 138 -3.216 -9.438 9.788 1.00 63.20 C ATOM 1034 NH1 ARG A 138 -4.153 -8.883 9.006 1.00 59.98 N ATOM 1035 NH2 ARG A 138 -2.610 -8.706 10.705 1.00 41.18 N ATOM 0 H ARG A 138 0.226 -11.621 6.575 1.00 18.59 H new ATOM 0 HA ARG A 138 -1.540 -13.168 5.506 1.00 20.95 H new ATOM 0 HB2 ARG A 138 -1.857 -10.618 6.686 1.00 18.47 H new ATOM 0 HB3 ARG A 138 -3.097 -11.304 6.035 1.00 18.47 H new ATOM 0 HG2 ARG A 138 -2.799 -13.154 7.506 1.00 20.06 H new ATOM 0 HG3 ARG A 138 -1.629 -12.387 8.195 1.00 20.06 H new ATOM 0 HD2 ARG A 138 -4.110 -11.094 8.158 1.00 39.50 H new ATOM 0 HD3 ARG A 138 -3.968 -12.289 9.150 1.00 39.50 H new ATOM 0 HE ARG A 138 -2.252 -11.019 10.191 1.00 48.13 H new ATOM 0 HH11 ARG A 138 -4.545 -9.355 8.403 1.00 59.98 H new ATOM 0 HH12 ARG A 138 -4.362 -8.055 9.107 1.00 59.98 H new ATOM 0 HH21 ARG A 138 -2.004 -9.057 11.204 1.00 41.18 H new ATOM 0 HH22 ARG A 138 -2.821 -7.878 10.803 1.00 41.18 H new ATOM 1036 N MET A 139 -0.596 -10.891 3.635 1.00 15.32 N ATOM 1037 CA MET A 139 -0.806 -10.293 2.343 1.00 14.87 C ATOM 1038 C MET A 139 -0.254 -11.113 1.203 1.00 24.62 C ATOM 1039 O MET A 139 -0.642 -10.915 0.051 1.00 24.51 O ATOM 1040 CB MET A 139 -0.130 -8.946 2.271 1.00 16.42 C ATOM 1041 CG MET A 139 -0.870 -7.904 3.062 1.00 20.81 C ATOM 1042 SD MET A 139 0.239 -6.476 3.145 1.00 27.75 S ATOM 1043 CE MET A 139 0.112 -5.793 1.459 1.00 26.94 C ATOM 0 H MET A 139 0.163 -10.731 4.007 1.00 15.32 H new ATOM 0 HA MET A 139 -1.769 -10.227 2.248 1.00 14.87 H new ATOM 0 HB2 MET A 139 0.777 -9.022 2.606 1.00 16.42 H new ATOM 0 HB3 MET A 139 -0.068 -8.665 1.345 1.00 16.42 H new ATOM 0 HG2 MET A 139 -1.708 -7.670 2.633 1.00 20.81 H new ATOM 0 HG3 MET A 139 -1.087 -8.229 3.950 1.00 20.81 H new ATOM 0 HE1 MET A 139 0.504 -4.906 1.439 1.00 26.94 H new ATOM 0 HE2 MET A 139 0.586 -6.370 0.839 1.00 26.94 H new ATOM 0 HE3 MET A 139 -0.821 -5.739 1.201 1.00 26.94 H new ATOM 1044 N VAL A 140 0.686 -11.992 1.518 1.00 15.92 N ATOM 1045 CA VAL A 140 1.349 -12.796 0.519 1.00 15.21 C ATOM 1046 C VAL A 140 0.435 -13.676 -0.340 1.00 21.37 C ATOM 1047 O VAL A 140 -0.286 -14.540 0.170 1.00 19.28 O ATOM 1048 CB VAL A 140 2.515 -13.610 1.085 1.00 16.49 C ATOM 1049 CG1 VAL A 140 3.073 -14.503 -0.019 1.00 15.87 C ATOM 1050 CG2 VAL A 140 3.633 -12.693 1.583 1.00 14.69 C ATOM 0 H VAL A 140 0.955 -12.136 2.322 1.00 15.92 H new ATOM 0 HA VAL A 140 1.706 -12.130 -0.089 1.00 15.21 H new ATOM 0 HB VAL A 140 2.190 -14.140 1.830 1.00 16.49 H new ATOM 0 HG11 VAL A 140 3.813 -15.024 0.329 1.00 15.87 H new ATOM 0 HG12 VAL A 140 2.377 -15.101 -0.334 1.00 15.87 H new ATOM 0 HG13 VAL A 140 3.383 -13.952 -0.755 1.00 15.87 H new ATOM 0 HG21 VAL A 140 4.359 -13.230 1.936 1.00 14.69 H new ATOM 0 HG22 VAL A 140 3.960 -12.152 0.847 1.00 14.69 H new ATOM 0 HG23 VAL A 140 3.290 -12.114 2.282 1.00 14.69 H new ATOM 1051 N LYS A 141 0.497 -13.479 -1.661 1.00 18.64 N ATOM 1052 CA LYS A 141 -0.279 -14.290 -2.590 1.00 16.34 C ATOM 1053 C LYS A 141 0.173 -13.994 -4.002 1.00 18.05 C ATOM 1054 O LYS A 141 0.742 -12.940 -4.278 1.00 16.32 O ATOM 1055 CB LYS A 141 -1.757 -14.054 -2.487 1.00 20.98 C ATOM 1056 CG LYS A 141 -2.137 -12.715 -3.079 1.00 22.10 C ATOM 1057 CD LYS A 141 -3.644 -12.525 -3.122 1.00 38.84 C ATOM 1058 CE LYS A 141 -4.101 -11.136 -2.700 1.00 61.80 C ATOM 1059 NZ LYS A 141 -4.028 -10.929 -1.241 1.00100.00 N ATOM 0 H LYS A 141 0.985 -12.878 -2.035 1.00 18.64 H new ATOM 0 HA LYS A 141 -0.122 -15.219 -2.358 1.00 16.34 H new ATOM 0 HB2 LYS A 141 -2.233 -14.762 -2.948 1.00 20.98 H new ATOM 0 HB3 LYS A 141 -2.029 -14.089 -1.557 1.00 20.98 H new ATOM 0 HG2 LYS A 141 -1.736 -12.004 -2.555 1.00 22.10 H new ATOM 0 HG3 LYS A 141 -1.776 -12.644 -3.977 1.00 22.10 H new ATOM 0 HD2 LYS A 141 -3.958 -12.700 -4.023 1.00 38.84 H new ATOM 0 HD3 LYS A 141 -4.061 -13.183 -2.544 1.00 38.84 H new ATOM 0 HE2 LYS A 141 -3.553 -10.471 -3.145 1.00 61.80 H new ATOM 0 HE3 LYS A 141 -5.014 -10.996 -2.997 1.00 61.80 H new ATOM 0 HZ1 LYS A 141 -4.304 -10.106 -1.043 1.00100.00 H new ATOM 0 HZ2 LYS A 141 -4.549 -11.523 -0.830 1.00100.00 H new ATOM 0 HZ3 LYS A 141 -3.187 -11.033 -0.968 1.00100.00 H new ATOM 1060 N PRO A 142 -0.069 -14.948 -4.900 1.00 20.11 N ATOM 1061 CA PRO A 142 0.366 -14.754 -6.278 1.00 18.80 C ATOM 1062 C PRO A 142 -0.229 -13.491 -6.919 1.00 15.30 C ATOM 1063 O PRO A 142 -1.351 -13.089 -6.642 1.00 20.17 O ATOM 1064 CB PRO A 142 0.052 -16.074 -7.040 1.00 17.75 C ATOM 1065 CG PRO A 142 -0.514 -17.041 -6.005 1.00 25.85 C ATOM 1066 CD PRO A 142 -0.825 -16.236 -4.742 1.00 19.47 C ATOM 0 HA PRO A 142 1.320 -14.583 -6.319 1.00 18.80 H new ATOM 0 HB2 PRO A 142 -0.586 -15.918 -7.754 1.00 17.75 H new ATOM 0 HB3 PRO A 142 0.853 -16.436 -7.450 1.00 17.75 H new ATOM 0 HG2 PRO A 142 -1.316 -17.470 -6.342 1.00 25.85 H new ATOM 0 HG3 PRO A 142 0.124 -17.745 -5.812 1.00 25.85 H new ATOM 0 HD2 PRO A 142 -1.778 -16.075 -4.655 1.00 19.47 H new ATOM 0 HD3 PRO A 142 -0.544 -16.712 -3.945 1.00 19.47 H new ATOM 1067 N GLY A 143 0.551 -12.810 -7.746 1.00 15.90 N ATOM 1068 CA GLY A 143 0.057 -11.616 -8.406 1.00 18.18 C ATOM 1069 C GLY A 143 0.322 -10.292 -7.703 1.00 30.37 C ATOM 1070 O GLY A 143 0.266 -9.239 -8.349 1.00 29.43 O ATOM 0 H GLY A 143 1.363 -13.021 -7.937 1.00 15.90 H new ATOM 0 HA2 GLY A 143 0.451 -11.574 -9.291 1.00 18.18 H new ATOM 0 HA3 GLY A 143 -0.901 -11.710 -8.526 1.00 18.18 H new ATOM 1071 N ILE A 144 0.600 -10.310 -6.392 1.00 20.80 N ATOM 1072 CA ILE A 144 0.810 -9.055 -5.695 1.00 17.70 C ATOM 1073 C ILE A 144 2.257 -8.606 -5.873 1.00 20.97 C ATOM 1074 O ILE A 144 3.131 -9.452 -6.087 1.00 24.73 O ATOM 1075 CB ILE A 144 0.408 -9.285 -4.231 1.00 24.69 C ATOM 1076 CG1 ILE A 144 0.225 -8.012 -3.429 1.00 36.56 C ATOM 1077 CG2 ILE A 144 1.466 -10.119 -3.530 1.00 30.24 C ATOM 0 H ILE A 144 0.668 -11.019 -5.909 1.00 20.80 H new ATOM 0 HA ILE A 144 0.268 -8.334 -6.052 1.00 17.70 H new ATOM 0 HB ILE A 144 -0.450 -9.736 -4.269 1.00 24.69 H new ATOM 0 HG21 ILE A 144 1.207 -10.261 -2.606 1.00 30.24 H new ATOM 0 HG22 ILE A 144 1.551 -10.976 -3.977 1.00 30.24 H new ATOM 0 HG23 ILE A 144 2.317 -9.654 -3.559 1.00 30.24 H new ATOM 1078 N ASN A 145 2.518 -7.276 -5.807 1.00 21.89 N ATOM 1079 CA ASN A 145 3.859 -6.729 -5.913 1.00 16.68 C ATOM 1080 C ASN A 145 4.504 -6.637 -4.528 1.00 19.30 C ATOM 1081 O ASN A 145 3.883 -6.173 -3.564 1.00 18.35 O ATOM 1082 CB ASN A 145 3.860 -5.327 -6.518 1.00 22.72 C ATOM 1083 CG ASN A 145 5.220 -4.981 -7.086 1.00 32.39 C ATOM 1084 OD1 ASN A 145 6.199 -4.862 -6.356 1.00 20.09 O ATOM 1085 ND2 ASN A 145 5.310 -4.901 -8.409 1.00 35.26 N ATOM 0 H ASN A 145 1.908 -6.680 -5.699 1.00 21.89 H new ATOM 0 HA ASN A 145 4.358 -7.327 -6.491 1.00 16.68 H new ATOM 0 HB2 ASN A 145 3.190 -5.273 -7.218 1.00 22.72 H new ATOM 0 HB3 ASN A 145 3.615 -4.678 -5.840 1.00 22.72 H new ATOM 0 HD21 ASN A 145 6.073 -4.762 -8.780 1.00 35.26 H new ATOM 0 HD22 ASN A 145 4.605 -4.989 -8.894 1.00 35.26 H new ATOM 1086 N LEU A 146 5.760 -7.082 -4.418 1.00 20.33 N ATOM 1087 CA LEU A 146 6.440 -7.039 -3.102 1.00 19.95 C ATOM 1088 C LEU A 146 6.361 -5.660 -2.495 1.00 22.08 C ATOM 1089 O LEU A 146 6.348 -5.447 -1.283 1.00 20.18 O ATOM 1090 CB LEU A 146 7.945 -7.389 -3.199 1.00 20.35 C ATOM 1091 CG LEU A 146 8.369 -8.820 -2.851 1.00 25.08 C ATOM 1092 CD1 LEU A 146 9.900 -8.927 -2.999 1.00 21.81 C ATOM 1093 CD2 LEU A 146 7.900 -9.256 -1.461 1.00 21.89 C ATOM 0 H LEU A 146 6.228 -7.403 -5.064 1.00 20.33 H new ATOM 0 HA LEU A 146 5.981 -7.696 -2.555 1.00 19.95 H new ATOM 0 HB2 LEU A 146 8.236 -7.204 -4.105 1.00 20.35 H new ATOM 0 HB3 LEU A 146 8.430 -6.784 -2.616 1.00 20.35 H new ATOM 0 HG LEU A 146 7.937 -9.431 -3.468 1.00 25.08 H new ATOM 0 HD11 LEU A 146 10.184 -9.829 -2.782 1.00 21.81 H new ATOM 0 HD12 LEU A 146 10.152 -8.720 -3.913 1.00 21.81 H new ATOM 0 HD13 LEU A 146 10.328 -8.299 -2.396 1.00 21.81 H new ATOM 0 HD21 LEU A 146 8.193 -10.165 -1.291 1.00 21.89 H new ATOM 0 HD22 LEU A 146 8.278 -8.664 -0.792 1.00 21.89 H new ATOM 0 HD23 LEU A 146 6.932 -9.216 -1.419 1.00 21.89 H new ATOM 1094 N ARG A 147 6.342 -4.666 -3.375 1.00 21.39 N ATOM 1095 CA ARG A 147 6.331 -3.295 -2.878 1.00 23.99 C ATOM 1096 C ARG A 147 5.218 -3.040 -1.897 1.00 19.67 C ATOM 1097 O ARG A 147 5.409 -2.343 -0.934 1.00 22.16 O ATOM 1098 CB ARG A 147 6.337 -2.237 -3.988 1.00 29.24 C ATOM 1099 CG ARG A 147 6.424 -0.812 -3.447 1.00 30.88 C ATOM 1100 CD ARG A 147 6.375 0.247 -4.546 1.00 27.57 C ATOM 1101 NE ARG A 147 6.105 1.560 -3.995 1.00 26.46 N ATOM 1102 CZ ARG A 147 5.932 2.627 -4.749 1.00 29.51 C ATOM 1103 NH1 ARG A 147 5.993 2.535 -6.067 1.00 29.95 N ATOM 1104 NH2 ARG A 147 5.681 3.799 -4.183 1.00 36.36 N ATOM 0 H ARG A 147 6.335 -4.755 -4.230 1.00 21.39 H new ATOM 0 HA ARG A 147 7.171 -3.202 -2.402 1.00 23.99 H new ATOM 0 HB2 ARG A 147 7.088 -2.400 -4.580 1.00 29.24 H new ATOM 0 HB3 ARG A 147 5.531 -2.328 -4.520 1.00 29.24 H new ATOM 0 HG2 ARG A 147 5.693 -0.662 -2.827 1.00 30.88 H new ATOM 0 HG3 ARG A 147 7.248 -0.712 -2.945 1.00 30.88 H new ATOM 0 HD2 ARG A 147 7.219 0.261 -5.023 1.00 27.57 H new ATOM 0 HD3 ARG A 147 5.688 0.016 -5.191 1.00 27.57 H new ATOM 0 HE ARG A 147 6.056 1.646 -3.141 1.00 26.46 H new ATOM 0 HH11 ARG A 147 6.147 1.775 -6.438 1.00 29.95 H new ATOM 0 HH12 ARG A 147 5.879 3.236 -6.553 1.00 29.95 H new ATOM 0 HH21 ARG A 147 5.632 3.861 -3.327 1.00 36.36 H new ATOM 0 HH22 ARG A 147 5.568 4.497 -4.672 1.00 36.36 H new ATOM 1105 N GLU A 148 4.064 -3.604 -2.165 1.00 16.74 N ATOM 1106 CA GLU A 148 2.914 -3.402 -1.318 1.00 20.67 C ATOM 1107 C GLU A 148 3.183 -3.909 0.073 1.00 20.21 C ATOM 1108 O GLU A 148 2.697 -3.366 1.040 1.00 19.99 O ATOM 1109 CB GLU A 148 1.721 -4.203 -1.874 1.00 22.96 C ATOM 1110 CG GLU A 148 1.529 -3.919 -3.370 1.00 43.48 C ATOM 1111 CD GLU A 148 0.235 -4.441 -3.923 1.00 68.14 C ATOM 1112 OE1 GLU A 148 -0.817 -4.368 -3.313 1.00 64.36 O ATOM 1113 OE2 GLU A 148 0.361 -4.969 -5.127 1.00 36.11 O ATOM 0 H GLU A 148 3.923 -4.115 -2.842 1.00 16.74 H new ATOM 0 HA GLU A 148 2.722 -2.452 -1.295 1.00 20.67 H new ATOM 0 HB2 GLU A 148 1.870 -5.152 -1.736 1.00 22.96 H new ATOM 0 HB3 GLU A 148 0.914 -3.969 -1.389 1.00 22.96 H new ATOM 0 HG2 GLU A 148 1.571 -2.961 -3.517 1.00 43.48 H new ATOM 0 HG3 GLU A 148 2.265 -4.314 -3.863 1.00 43.48 H new ATOM 1114 N ILE A 149 3.938 -4.983 0.149 1.00 22.80 N ATOM 1115 CA ILE A 149 4.229 -5.573 1.439 1.00 19.61 C ATOM 1116 C ILE A 149 5.139 -4.684 2.289 1.00 25.56 C ATOM 1117 O ILE A 149 4.895 -4.483 3.477 1.00 17.44 O ATOM 1118 CB ILE A 149 4.834 -6.953 1.260 1.00 26.68 C ATOM 1119 CG1 ILE A 149 3.731 -7.969 0.951 1.00 29.36 C ATOM 1120 CG2 ILE A 149 5.628 -7.355 2.495 1.00 26.10 C ATOM 1121 CD1 ILE A 149 4.259 -9.189 0.209 1.00 30.53 C ATOM 0 H ILE A 149 4.290 -5.385 -0.525 1.00 22.80 H new ATOM 0 HA ILE A 149 3.390 -5.657 1.919 1.00 19.61 H new ATOM 0 HB ILE A 149 5.450 -6.934 0.511 1.00 26.68 H new ATOM 0 HG12 ILE A 149 3.314 -8.253 1.780 1.00 29.36 H new ATOM 0 HG13 ILE A 149 3.042 -7.543 0.418 1.00 29.36 H new ATOM 0 HG21 ILE A 149 6.007 -8.238 2.363 1.00 26.10 H new ATOM 0 HG22 ILE A 149 6.343 -6.716 2.643 1.00 26.10 H new ATOM 0 HG23 ILE A 149 5.041 -7.367 3.267 1.00 26.10 H new ATOM 0 HD11 ILE A 149 3.529 -9.803 0.035 1.00 30.53 H new ATOM 0 HD12 ILE A 149 4.654 -8.911 -0.632 1.00 30.53 H new ATOM 0 HD13 ILE A 149 4.931 -9.632 0.751 1.00 30.53 H new ATOM 1122 N GLY A 150 6.191 -4.153 1.672 1.00 22.14 N ATOM 1123 CA GLY A 150 7.120 -3.280 2.372 1.00 19.12 C ATOM 1124 C GLY A 150 6.382 -2.056 2.843 1.00 25.54 C ATOM 1125 O GLY A 150 6.544 -1.598 3.976 1.00 23.70 O ATOM 0 H GLY A 150 6.383 -4.288 0.845 1.00 22.14 H new ATOM 0 HA2 GLY A 150 7.513 -3.745 3.127 1.00 19.12 H new ATOM 0 HA3 GLY A 150 7.849 -3.026 1.784 1.00 19.12 H new ATOM 1126 N ALA A 151 5.545 -1.532 1.956 1.00 18.71 N ATOM 1127 CA ALA A 151 4.777 -0.351 2.306 1.00 20.27 C ATOM 1128 C ALA A 151 3.835 -0.582 3.505 1.00 22.80 C ATOM 1129 O ALA A 151 3.669 0.260 4.413 1.00 20.01 O ATOM 1130 CB ALA A 151 4.022 0.173 1.085 1.00 21.02 C ATOM 0 H ALA A 151 5.410 -1.838 1.164 1.00 18.71 H new ATOM 0 HA ALA A 151 5.407 0.328 2.593 1.00 20.27 H new ATOM 0 HB1 ALA A 151 3.514 0.961 1.332 1.00 21.02 H new ATOM 0 HB2 ALA A 151 4.655 0.403 0.387 1.00 21.02 H new ATOM 0 HB3 ALA A 151 3.417 -0.512 0.760 1.00 21.02 H new ATOM 1131 N ALA A 152 3.170 -1.733 3.511 1.00 15.58 N ATOM 1132 CA ALA A 152 2.249 -2.026 4.608 1.00 17.06 C ATOM 1133 C ALA A 152 2.982 -2.105 5.970 1.00 20.15 C ATOM 1134 O ALA A 152 2.515 -1.606 6.981 1.00 16.24 O ATOM 1135 CB ALA A 152 1.542 -3.336 4.282 1.00 17.22 C ATOM 0 H ALA A 152 3.233 -2.343 2.908 1.00 15.58 H new ATOM 0 HA ALA A 152 1.603 -1.308 4.694 1.00 17.06 H new ATOM 0 HB1 ALA A 152 0.923 -3.556 4.995 1.00 17.22 H new ATOM 0 HB2 ALA A 152 1.055 -3.242 3.449 1.00 17.22 H new ATOM 0 HB3 ALA A 152 2.198 -4.045 4.194 1.00 17.22 H new ATOM 1136 N ILE A 153 4.140 -2.775 5.980 1.00 17.99 N ATOM 1137 CA ILE A 153 4.940 -2.905 7.168 1.00 14.88 C ATOM 1138 C ILE A 153 5.304 -1.513 7.667 1.00 18.24 C ATOM 1139 O ILE A 153 5.051 -1.145 8.804 1.00 19.63 O ATOM 1140 CB ILE A 153 6.193 -3.711 6.869 1.00 15.96 C ATOM 1141 CG1 ILE A 153 5.773 -5.158 6.662 1.00 11.98 C ATOM 1142 CG2 ILE A 153 7.145 -3.618 8.062 1.00 16.11 C ATOM 1143 CD1 ILE A 153 6.938 -6.029 6.197 1.00 17.87 C ATOM 0 H ILE A 153 4.472 -3.163 5.288 1.00 17.99 H new ATOM 0 HA ILE A 153 4.439 -3.373 7.854 1.00 14.88 H new ATOM 0 HB ILE A 153 6.642 -3.373 6.079 1.00 15.96 H new ATOM 0 HG12 ILE A 153 5.416 -5.512 7.491 1.00 11.98 H new ATOM 0 HG13 ILE A 153 5.059 -5.196 6.006 1.00 11.98 H new ATOM 0 HG21 ILE A 153 7.947 -4.131 7.877 1.00 16.11 H new ATOM 0 HG22 ILE A 153 7.383 -2.690 8.215 1.00 16.11 H new ATOM 0 HG23 ILE A 153 6.709 -3.974 8.852 1.00 16.11 H new ATOM 0 HD11 ILE A 153 6.632 -6.942 6.076 1.00 17.87 H new ATOM 0 HD12 ILE A 153 7.280 -5.689 5.355 1.00 17.87 H new ATOM 0 HD13 ILE A 153 7.643 -6.010 6.863 1.00 17.87 H new ATOM 1144 N GLN A 154 5.879 -0.713 6.785 1.00 15.21 N ATOM 1145 CA GLN A 154 6.257 0.618 7.182 1.00 19.92 C ATOM 1146 C GLN A 154 5.121 1.427 7.791 1.00 21.19 C ATOM 1147 O GLN A 154 5.246 2.062 8.845 1.00 19.77 O ATOM 1148 CB GLN A 154 6.951 1.387 6.030 1.00 25.86 C ATOM 1149 CG GLN A 154 7.402 2.822 6.408 1.00 16.68 C ATOM 1150 CD GLN A 154 8.018 3.559 5.250 1.00 29.20 C ATOM 1151 OE1 GLN A 154 7.932 3.113 4.096 1.00 25.32 O ATOM 1152 NE2 GLN A 154 8.680 4.661 5.567 1.00 27.34 N ATOM 0 H GLN A 154 6.054 -0.920 5.969 1.00 15.21 H new ATOM 0 HA GLN A 154 6.903 0.499 7.895 1.00 19.92 H new ATOM 0 HB2 GLN A 154 7.725 0.882 5.737 1.00 25.86 H new ATOM 0 HB3 GLN A 154 6.343 1.438 5.276 1.00 25.86 H new ATOM 0 HG2 GLN A 154 6.638 3.322 6.735 1.00 16.68 H new ATOM 0 HG3 GLN A 154 8.043 2.775 7.135 1.00 16.68 H new ATOM 0 HE21 GLN A 154 8.708 4.926 6.385 1.00 27.34 H new ATOM 0 HE22 GLN A 154 9.082 5.112 4.955 1.00 27.34 H new ATOM 1153 N LYS A 155 4.011 1.459 7.091 1.00 14.25 N ATOM 1154 CA LYS A 155 2.904 2.218 7.587 1.00 15.36 C ATOM 1155 C LYS A 155 2.489 1.769 8.981 1.00 19.89 C ATOM 1156 O LYS A 155 2.150 2.568 9.852 1.00 21.20 O ATOM 1157 CB LYS A 155 1.724 2.151 6.623 1.00 22.78 C ATOM 1158 CG LYS A 155 1.391 3.474 5.955 1.00 49.78 C ATOM 0 H LYS A 155 3.882 1.056 6.342 1.00 14.25 H new ATOM 0 HA LYS A 155 3.194 3.141 7.654 1.00 15.36 H new ATOM 0 HB2 LYS A 155 1.917 1.493 5.937 1.00 22.78 H new ATOM 0 HB3 LYS A 155 0.943 1.838 7.105 1.00 22.78 H new ATOM 1159 N PHE A 156 2.498 0.460 9.193 1.00 17.07 N ATOM 1160 CA PHE A 156 2.072 -0.079 10.448 1.00 14.46 C ATOM 1161 C PHE A 156 2.984 0.367 11.574 1.00 14.25 C ATOM 1162 O PHE A 156 2.586 0.918 12.599 1.00 18.93 O ATOM 1163 CB PHE A 156 1.997 -1.618 10.367 1.00 17.05 C ATOM 1164 CG PHE A 156 1.609 -2.228 11.708 1.00 23.75 C ATOM 1165 CD1 PHE A 156 0.344 -2.001 12.259 1.00 30.58 C ATOM 1166 CD2 PHE A 156 2.511 -2.996 12.445 1.00 22.54 C ATOM 1167 CE1 PHE A 156 -0.045 -2.540 13.488 1.00 28.40 C ATOM 1168 CE2 PHE A 156 2.148 -3.543 13.681 1.00 20.68 C ATOM 1169 CZ PHE A 156 0.870 -3.326 14.193 1.00 20.01 C ATOM 0 H PHE A 156 2.750 -0.125 8.615 1.00 17.07 H new ATOM 0 HA PHE A 156 1.185 0.262 10.643 1.00 14.46 H new ATOM 0 HB2 PHE A 156 1.349 -1.877 9.693 1.00 17.05 H new ATOM 0 HB3 PHE A 156 2.856 -1.971 10.086 1.00 17.05 H new ATOM 0 HD1 PHE A 156 -0.260 -1.472 11.790 1.00 30.58 H new ATOM 0 HD2 PHE A 156 3.365 -3.147 12.110 1.00 22.54 H new ATOM 0 HE1 PHE A 156 -0.895 -2.379 13.829 1.00 28.40 H new ATOM 0 HE2 PHE A 156 2.760 -4.052 14.161 1.00 20.68 H new ATOM 0 HZ PHE A 156 0.626 -3.705 15.006 1.00 20.01 H new ATOM 1170 N VAL A 157 4.230 0.083 11.357 1.00 15.95 N ATOM 1171 CA VAL A 157 5.258 0.400 12.317 1.00 18.92 C ATOM 1172 C VAL A 157 5.291 1.862 12.672 1.00 18.57 C ATOM 1173 O VAL A 157 5.372 2.204 13.830 1.00 20.58 O ATOM 1174 CB VAL A 157 6.627 -0.070 11.814 1.00 21.11 C ATOM 1175 CG1 VAL A 157 7.757 0.580 12.604 1.00 20.63 C ATOM 1176 CG2 VAL A 157 6.683 -1.598 11.871 1.00 20.70 C ATOM 0 H VAL A 157 4.517 -0.303 10.644 1.00 15.95 H new ATOM 0 HA VAL A 157 5.040 -0.078 13.132 1.00 18.92 H new ATOM 0 HB VAL A 157 6.747 0.207 10.892 1.00 21.11 H new ATOM 0 HG11 VAL A 157 8.610 0.266 12.266 1.00 20.63 H new ATOM 0 HG12 VAL A 157 7.706 1.544 12.508 1.00 20.63 H new ATOM 0 HG13 VAL A 157 7.674 0.344 13.541 1.00 20.63 H new ATOM 0 HG21 VAL A 157 7.548 -1.902 11.554 1.00 20.70 H new ATOM 0 HG22 VAL A 157 6.553 -1.893 12.786 1.00 20.70 H new ATOM 0 HG23 VAL A 157 5.984 -1.969 11.310 1.00 20.70 H new ATOM 1177 N GLU A 158 5.277 2.722 11.661 1.00 16.74 N ATOM 1178 CA GLU A 158 5.348 4.143 11.891 1.00 17.67 C ATOM 1179 C GLU A 158 4.156 4.656 12.649 1.00 23.58 C ATOM 1180 O GLU A 158 4.292 5.495 13.537 1.00 23.44 O ATOM 1181 CB GLU A 158 5.615 4.895 10.587 1.00 18.85 C ATOM 1182 CG GLU A 158 7.033 4.571 10.072 1.00 21.04 C ATOM 1183 CD GLU A 158 7.365 5.382 8.849 1.00 30.75 C ATOM 1184 OE1 GLU A 158 6.560 6.113 8.328 1.00 26.76 O ATOM 1185 OE2 GLU A 158 8.597 5.260 8.434 1.00 22.31 O ATOM 0 H GLU A 158 5.226 2.495 10.833 1.00 16.74 H new ATOM 0 HA GLU A 158 6.107 4.317 12.469 1.00 17.67 H new ATOM 0 HB2 GLU A 158 4.956 4.646 9.920 1.00 18.85 H new ATOM 0 HB3 GLU A 158 5.526 5.850 10.731 1.00 18.85 H new ATOM 0 HG2 GLU A 158 7.682 4.752 10.769 1.00 21.04 H new ATOM 0 HG3 GLU A 158 7.096 3.626 9.864 1.00 21.04 H new ATOM 1186 N ALA A 159 2.987 4.114 12.345 1.00 16.38 N ATOM 1187 CA ALA A 159 1.787 4.531 13.026 1.00 17.21 C ATOM 1188 C ALA A 159 1.859 4.243 14.503 1.00 23.94 C ATOM 1189 O ALA A 159 1.167 4.866 15.298 1.00 22.54 O ATOM 1190 CB ALA A 159 0.574 3.843 12.458 1.00 17.81 C ATOM 0 H ALA A 159 2.872 3.505 11.748 1.00 16.38 H new ATOM 0 HA ALA A 159 1.711 5.489 12.892 1.00 17.21 H new ATOM 0 HB1 ALA A 159 -0.218 4.140 12.932 1.00 17.81 H new ATOM 0 HB2 ALA A 159 0.488 4.062 11.517 1.00 17.81 H new ATOM 0 HB3 ALA A 159 0.670 2.883 12.558 1.00 17.81 H new ATOM 1191 N GLU A 160 2.696 3.289 14.853 1.00 21.32 N ATOM 1192 CA GLU A 160 2.857 2.911 16.241 1.00 18.30 C ATOM 1193 C GLU A 160 3.981 3.628 16.960 1.00 20.26 C ATOM 1194 O GLU A 160 4.294 3.281 18.089 1.00 26.61 O ATOM 1195 CB GLU A 160 2.989 1.404 16.371 1.00 20.33 C ATOM 1196 CG GLU A 160 1.795 0.667 15.744 1.00 26.55 C ATOM 1197 CD GLU A 160 0.639 0.750 16.682 1.00 43.94 C ATOM 1198 OE1 GLU A 160 0.807 0.967 17.874 1.00 41.86 O ATOM 1199 OE2 GLU A 160 -0.527 0.606 16.091 1.00 57.97 O ATOM 0 H GLU A 160 3.183 2.845 14.300 1.00 21.32 H new ATOM 0 HA GLU A 160 2.048 3.202 16.690 1.00 18.30 H new ATOM 0 HB2 GLU A 160 3.809 1.114 15.942 1.00 20.33 H new ATOM 0 HB3 GLU A 160 3.059 1.166 17.309 1.00 20.33 H new ATOM 0 HG2 GLU A 160 1.565 1.065 14.890 1.00 26.55 H new ATOM 0 HG3 GLU A 160 2.024 -0.260 15.573 1.00 26.55 H new ATOM 1200 N GLY A 161 4.605 4.607 16.312 1.00 21.61 N ATOM 1201 CA GLY A 161 5.657 5.430 16.893 1.00 20.17 C ATOM 1202 C GLY A 161 7.079 4.906 16.808 1.00 24.33 C ATOM 1203 O GLY A 161 7.983 5.495 17.421 1.00 21.46 O ATOM 0 H GLY A 161 4.421 4.816 15.498 1.00 21.61 H new ATOM 0 HA2 GLY A 161 5.631 6.299 16.462 1.00 20.17 H new ATOM 0 HA3 GLY A 161 5.445 5.571 17.829 1.00 20.17 H new ATOM 1204 N PHE A 162 7.278 3.821 16.048 1.00 16.27 N ATOM 1205 CA PHE A 162 8.593 3.209 15.884 1.00 13.14 C ATOM 1206 C PHE A 162 9.165 3.435 14.503 1.00 20.14 C ATOM 1207 O PHE A 162 8.516 4.049 13.678 1.00 22.26 O ATOM 1208 CB PHE A 162 8.519 1.708 16.159 1.00 16.55 C ATOM 1209 CG PHE A 162 8.119 1.421 17.587 1.00 20.82 C ATOM 1210 CD1 PHE A 162 8.642 2.177 18.638 1.00 17.23 C ATOM 1211 CD2 PHE A 162 7.260 0.361 17.887 1.00 20.91 C ATOM 1212 CE1 PHE A 162 8.313 1.868 19.957 1.00 20.17 C ATOM 1213 CE2 PHE A 162 6.931 0.042 19.207 1.00 24.34 C ATOM 1214 CZ PHE A 162 7.444 0.817 20.246 1.00 18.63 C ATOM 0 H PHE A 162 6.650 3.423 15.615 1.00 16.27 H new ATOM 0 HA PHE A 162 9.182 3.636 16.525 1.00 13.14 H new ATOM 0 HB2 PHE A 162 7.879 1.299 15.555 1.00 16.55 H new ATOM 0 HB3 PHE A 162 9.381 1.302 15.976 1.00 16.55 H new ATOM 0 HD1 PHE A 162 9.212 2.889 18.457 1.00 17.23 H new ATOM 0 HD2 PHE A 162 6.899 -0.143 17.194 1.00 20.91 H new ATOM 0 HE1 PHE A 162 8.677 2.368 20.651 1.00 20.17 H new ATOM 0 HE2 PHE A 162 6.375 -0.681 19.391 1.00 24.34 H new ATOM 0 HZ PHE A 162 7.208 0.634 21.127 1.00 18.63 H new ATOM 1215 N SER A 163 10.367 2.935 14.221 1.00 16.59 N ATOM 1216 CA SER A 163 10.883 3.137 12.877 1.00 12.63 C ATOM 1217 C SER A 163 11.351 1.836 12.263 1.00 17.65 C ATOM 1218 O SER A 163 11.629 0.877 12.977 1.00 16.34 O ATOM 1219 CB SER A 163 11.972 4.183 12.856 1.00 22.29 C ATOM 1220 OG SER A 163 13.067 3.678 13.565 1.00 32.42 O ATOM 0 H SER A 163 10.873 2.499 14.763 1.00 16.59 H new ATOM 0 HA SER A 163 10.153 3.468 12.331 1.00 12.63 H new ATOM 0 HB2 SER A 163 12.225 4.391 11.943 1.00 22.29 H new ATOM 0 HB3 SER A 163 11.658 5.008 13.258 1.00 22.29 H new ATOM 0 HG SER A 163 13.106 4.045 14.320 1.00 32.42 H new ATOM 1221 N VAL A 164 11.429 1.780 10.940 1.00 16.37 N ATOM 1222 CA VAL A 164 11.875 0.548 10.303 1.00 15.53 C ATOM 1223 C VAL A 164 13.278 0.682 9.747 1.00 20.98 C ATOM 1224 O VAL A 164 13.604 1.664 9.071 1.00 20.84 O ATOM 1225 CB VAL A 164 10.889 0.005 9.241 1.00 24.57 C ATOM 1226 CG1 VAL A 164 10.592 1.072 8.208 1.00 30.95 C ATOM 1227 CG2 VAL A 164 11.531 -1.136 8.475 1.00 21.88 C ATOM 0 H VAL A 164 11.234 2.424 10.405 1.00 16.37 H new ATOM 0 HA VAL A 164 11.895 -0.119 11.007 1.00 15.53 H new ATOM 0 HB VAL A 164 10.086 -0.277 9.706 1.00 24.57 H new ATOM 0 HG11 VAL A 164 9.974 0.721 7.548 1.00 30.95 H new ATOM 0 HG12 VAL A 164 10.196 1.843 8.643 1.00 30.95 H new ATOM 0 HG13 VAL A 164 11.416 1.337 7.770 1.00 30.95 H new ATOM 0 HG21 VAL A 164 10.908 -1.471 7.811 1.00 21.88 H new ATOM 0 HG22 VAL A 164 12.334 -0.818 8.033 1.00 21.88 H new ATOM 0 HG23 VAL A 164 11.762 -1.849 9.090 1.00 21.88 H new ATOM 1228 N VAL A 165 14.132 -0.312 10.015 1.00 15.09 N ATOM 1229 CA VAL A 165 15.502 -0.259 9.500 1.00 13.54 C ATOM 1230 C VAL A 165 15.542 -0.456 7.994 1.00 24.35 C ATOM 1231 O VAL A 165 14.971 -1.418 7.476 1.00 17.20 O ATOM 1232 CB VAL A 165 16.420 -1.260 10.168 1.00 19.14 C ATOM 1233 CG1 VAL A 165 17.765 -1.264 9.445 1.00 17.71 C ATOM 1234 CG2 VAL A 165 16.565 -0.884 11.643 1.00 21.44 C ATOM 0 H VAL A 165 13.943 -1.009 10.482 1.00 15.09 H new ATOM 0 HA VAL A 165 15.827 0.630 9.713 1.00 13.54 H new ATOM 0 HB VAL A 165 16.054 -2.157 10.119 1.00 19.14 H new ATOM 0 HG11 VAL A 165 18.358 -1.904 9.869 1.00 17.71 H new ATOM 0 HG12 VAL A 165 17.633 -1.512 8.517 1.00 17.71 H new ATOM 0 HG13 VAL A 165 18.159 -0.379 9.490 1.00 17.71 H new ATOM 0 HG21 VAL A 165 17.152 -1.519 12.083 1.00 21.44 H new ATOM 0 HG22 VAL A 165 16.942 0.007 11.714 1.00 21.44 H new ATOM 0 HG23 VAL A 165 15.694 -0.901 12.069 1.00 21.44 H new ATOM 1235 N ARG A 166 16.242 0.446 7.293 1.00 20.21 N ATOM 1236 CA ARG A 166 16.298 0.379 5.846 1.00 20.68 C ATOM 1237 C ARG A 166 17.306 -0.539 5.218 1.00 28.47 C ATOM 1238 O ARG A 166 17.005 -1.191 4.217 1.00 27.50 O ATOM 1239 CB ARG A 166 16.385 1.753 5.189 1.00 19.72 C ATOM 1240 CG ARG A 166 15.617 2.812 5.941 1.00 25.26 C ATOM 1241 CD ARG A 166 14.300 3.207 5.309 1.00 30.58 C ATOM 1242 NE ARG A 166 13.307 3.327 6.362 1.00 56.88 N ATOM 1243 CZ ARG A 166 12.368 4.252 6.475 1.00 68.71 C ATOM 1244 NH1 ARG A 166 12.197 5.226 5.588 1.00 41.95 N ATOM 1245 NH2 ARG A 166 11.561 4.184 7.526 1.00 64.43 N ATOM 0 H ARG A 166 16.685 1.096 7.642 1.00 20.21 H new ATOM 0 HA ARG A 166 15.442 -0.037 5.661 1.00 20.68 H new ATOM 0 HB2 ARG A 166 17.316 2.018 5.126 1.00 19.72 H new ATOM 0 HB3 ARG A 166 16.045 1.695 4.283 1.00 19.72 H new ATOM 0 HG2 ARG A 166 15.447 2.493 6.841 1.00 25.26 H new ATOM 0 HG3 ARG A 166 16.173 3.602 6.021 1.00 25.26 H new ATOM 0 HD2 ARG A 166 14.392 4.048 4.834 1.00 30.58 H new ATOM 0 HD3 ARG A 166 14.024 2.542 4.659 1.00 30.58 H new ATOM 0 HE ARG A 166 13.332 2.730 6.981 1.00 56.88 H new ATOM 0 HH11 ARG A 166 12.710 5.276 4.900 1.00 41.95 H new ATOM 0 HH12 ARG A 166 11.573 5.807 5.702 1.00 41.95 H new ATOM 0 HH21 ARG A 166 11.659 3.554 8.103 1.00 64.43 H new ATOM 0 HH22 ARG A 166 10.940 4.770 7.630 1.00 64.43 H new ATOM 1246 N GLU A 167 18.486 -0.565 5.804 1.00 21.34 N ATOM 1247 CA GLU A 167 19.613 -1.324 5.296 1.00 22.22 C ATOM 1248 C GLU A 167 19.557 -2.836 5.208 1.00 25.60 C ATOM 1249 O GLU A 167 20.263 -3.452 4.405 1.00 32.05 O ATOM 1250 CB GLU A 167 20.942 -0.881 5.932 1.00 20.98 C ATOM 1251 CG GLU A 167 21.149 0.622 5.795 1.00 28.30 C ATOM 1252 CD GLU A 167 20.394 1.451 6.790 1.00 38.14 C ATOM 1253 OE1 GLU A 167 19.538 1.015 7.549 1.00 29.88 O ATOM 1254 OE2 GLU A 167 20.756 2.707 6.727 1.00 49.78 O ATOM 0 H GLU A 167 18.661 -0.132 6.526 1.00 21.34 H new ATOM 0 HA GLU A 167 19.547 -1.077 4.360 1.00 22.22 H new ATOM 0 HB2 GLU A 167 20.951 -1.126 6.870 1.00 20.98 H new ATOM 0 HB3 GLU A 167 21.678 -1.351 5.509 1.00 20.98 H new ATOM 0 HG2 GLU A 167 22.095 0.815 5.883 1.00 28.30 H new ATOM 0 HG3 GLU A 167 20.886 0.892 4.901 1.00 28.30 H new ATOM 1255 N TYR A 168 18.800 -3.467 6.054 1.00 19.83 N ATOM 1256 CA TYR A 168 18.805 -4.915 5.982 1.00 21.52 C ATOM 1257 C TYR A 168 17.455 -5.367 5.528 1.00 31.30 C ATOM 1258 O TYR A 168 16.472 -4.666 5.797 1.00 35.56 O ATOM 1259 CB TYR A 168 19.270 -5.554 7.293 1.00 33.94 C ATOM 1260 CG TYR A 168 20.730 -5.224 7.541 1.00 36.51 C ATOM 1261 CD1 TYR A 168 21.745 -6.107 7.168 1.00 34.85 C ATOM 1262 CD2 TYR A 168 21.075 -4.005 8.123 1.00 37.50 C ATOM 1263 CE1 TYR A 168 23.081 -5.784 7.398 1.00 39.37 C ATOM 1264 CE2 TYR A 168 22.409 -3.660 8.337 1.00 40.76 C ATOM 1265 CZ TYR A 168 23.414 -4.556 7.971 1.00 55.28 C ATOM 1266 OH TYR A 168 24.734 -4.227 8.194 1.00 72.10 O ATOM 0 H TYR A 168 18.296 -3.111 6.653 1.00 19.83 H new ATOM 0 HA TYR A 168 19.457 -5.217 5.331 1.00 21.52 H new ATOM 0 HB2 TYR A 168 18.728 -5.231 8.029 1.00 33.94 H new ATOM 0 HB3 TYR A 168 19.150 -6.516 7.253 1.00 33.94 H new ATOM 0 HD1 TYR A 168 21.528 -6.916 6.763 1.00 34.85 H new ATOM 0 HD2 TYR A 168 20.404 -3.412 8.373 1.00 37.50 H new ATOM 0 HE1 TYR A 168 23.751 -6.387 7.169 1.00 39.37 H new ATOM 0 HE2 TYR A 168 22.627 -2.841 8.720 1.00 40.76 H new ATOM 0 HH TYR A 168 24.778 -3.463 8.540 1.00 72.10 H new ATOM 1267 N CYS A 169 17.408 -6.488 4.808 1.00 20.91 N ATOM 1268 CA CYS A 169 16.138 -6.894 4.246 1.00 23.67 C ATOM 1269 C CYS A 169 15.980 -8.389 4.164 1.00 22.96 C ATOM 1270 O CYS A 169 16.945 -9.126 4.389 1.00 23.59 O ATOM 1271 CB CYS A 169 16.047 -6.279 2.812 1.00 32.00 C ATOM 1272 SG CYS A 169 17.348 -6.854 1.678 1.00 43.52 S ATOM 0 H CYS A 169 18.075 -7.005 4.642 1.00 20.91 H new ATOM 0 HA CYS A 169 15.428 -6.577 4.826 1.00 23.67 H new ATOM 0 HB2 CYS A 169 15.181 -6.494 2.432 1.00 32.00 H new ATOM 0 HB3 CYS A 169 16.094 -5.313 2.881 1.00 32.00 H new ATOM 0 HG CYS A 169 17.557 -6.013 0.848 1.00 43.52 H new ATOM 1273 N GLY A 170 14.756 -8.811 3.836 1.00 15.63 N ATOM 1274 CA GLY A 170 14.450 -10.221 3.662 1.00 12.85 C ATOM 1275 C GLY A 170 15.079 -10.654 2.335 1.00 17.54 C ATOM 1276 O GLY A 170 15.581 -9.823 1.565 1.00 15.00 O ATOM 0 H GLY A 170 14.087 -8.286 3.710 1.00 15.63 H new ATOM 0 HA2 GLY A 170 14.807 -10.743 4.398 1.00 12.85 H new ATOM 0 HA3 GLY A 170 13.491 -10.365 3.651 1.00 12.85 H new ATOM 1277 N HIS A 171 15.088 -11.949 2.056 1.00 19.70 N ATOM 1278 CA HIS A 171 15.757 -12.404 0.842 1.00 16.94 C ATOM 1279 C HIS A 171 15.253 -13.744 0.350 1.00 20.10 C ATOM 1280 O HIS A 171 14.716 -14.543 1.093 1.00 16.00 O ATOM 1281 CB HIS A 171 17.252 -12.615 1.192 1.00 13.84 C ATOM 1282 CG HIS A 171 17.402 -13.372 2.496 1.00 16.82 C ATOM 1283 ND1 HIS A 171 17.624 -14.740 2.535 1.00 16.99 N ATOM 1284 CD2 HIS A 171 17.333 -12.933 3.810 1.00 18.40 C ATOM 1285 CE1 HIS A 171 17.679 -15.100 3.832 1.00 17.91 C ATOM 1286 NE2 HIS A 171 17.523 -14.038 4.616 1.00 15.95 N ATOM 0 H HIS A 171 14.727 -12.564 2.536 1.00 19.70 H new ATOM 0 HA HIS A 171 15.595 -11.739 0.155 1.00 16.94 H new ATOM 0 HB2 HIS A 171 17.689 -13.105 0.478 1.00 13.84 H new ATOM 0 HB3 HIS A 171 17.696 -11.755 1.260 1.00 13.84 H new ATOM 0 HD1 HIS A 171 17.711 -15.262 1.857 1.00 16.99 H new ATOM 0 HD2 HIS A 171 17.187 -12.060 4.094 1.00 18.40 H new ATOM 0 HE1 HIS A 171 17.808 -15.969 4.136 1.00 17.91 H new ATOM 1287 N GLY A 172 15.469 -14.024 -0.921 1.00 16.90 N ATOM 1288 CA GLY A 172 15.076 -15.319 -1.385 1.00 17.24 C ATOM 1289 C GLY A 172 16.013 -16.293 -0.662 1.00 22.52 C ATOM 1290 O GLY A 172 17.072 -15.916 -0.132 1.00 18.78 O ATOM 0 H GLY A 172 15.826 -13.500 -1.503 1.00 16.90 H new ATOM 0 HA2 GLY A 172 14.147 -15.502 -1.174 1.00 17.24 H new ATOM 0 HA3 GLY A 172 15.168 -15.391 -2.348 1.00 17.24 H new ATOM 1291 N ILE A 173 15.622 -17.544 -0.629 1.00 16.44 N ATOM 1292 CA ILE A 173 16.403 -18.566 0.049 1.00 17.91 C ATOM 1293 C ILE A 173 16.059 -19.933 -0.518 1.00 20.52 C ATOM 1294 O ILE A 173 14.927 -20.157 -0.949 1.00 18.37 O ATOM 1295 CB ILE A 173 16.049 -18.524 1.554 1.00 16.82 C ATOM 1296 CG1 ILE A 173 16.848 -19.537 2.354 1.00 17.49 C ATOM 1297 CG2 ILE A 173 14.567 -18.819 1.760 1.00 14.17 C ATOM 1298 CD1 ILE A 173 16.804 -19.210 3.853 1.00 23.10 C ATOM 0 H ILE A 173 14.899 -17.832 -0.996 1.00 16.44 H new ATOM 0 HA ILE A 173 17.351 -18.404 -0.079 1.00 17.91 H new ATOM 0 HB ILE A 173 16.267 -17.632 1.867 1.00 16.82 H new ATOM 0 HG12 ILE A 173 16.493 -20.427 2.203 1.00 17.49 H new ATOM 0 HG13 ILE A 173 17.768 -19.543 2.048 1.00 17.49 H new ATOM 0 HG21 ILE A 173 14.360 -18.789 2.707 1.00 14.17 H new ATOM 0 HG22 ILE A 173 14.037 -18.155 1.292 1.00 14.17 H new ATOM 0 HG23 ILE A 173 14.361 -19.701 1.412 1.00 14.17 H new ATOM 0 HD11 ILE A 173 17.320 -19.869 4.343 1.00 23.10 H new ATOM 0 HD12 ILE A 173 17.180 -18.328 4.003 1.00 23.10 H new ATOM 0 HD13 ILE A 173 15.884 -19.226 4.161 1.00 23.10 H new ATOM 1299 N GLY A 174 17.011 -20.864 -0.500 1.00 15.60 N ATOM 1300 CA GLY A 174 16.750 -22.221 -0.980 1.00 15.39 C ATOM 1301 C GLY A 174 18.037 -23.032 -0.883 1.00 26.15 C ATOM 1302 O GLY A 174 18.511 -23.330 0.210 1.00 20.18 O ATOM 0 H GLY A 174 17.812 -20.732 -0.215 1.00 15.60 H new ATOM 0 HA2 GLY A 174 16.051 -22.636 -0.451 1.00 15.39 H new ATOM 0 HA3 GLY A 174 16.436 -22.198 -1.897 1.00 15.39 H new ATOM 1303 N GLN A 175 18.621 -23.356 -2.038 1.00 20.09 N ATOM 1304 CA GLN A 175 19.899 -24.028 -2.059 1.00 21.75 C ATOM 1305 C GLN A 175 20.919 -22.973 -1.643 1.00 21.76 C ATOM 1306 O GLN A 175 21.952 -23.263 -1.069 1.00 24.81 O ATOM 1307 CB GLN A 175 20.251 -24.574 -3.463 1.00 22.30 C ATOM 1308 CG GLN A 175 19.339 -25.722 -3.928 1.00 47.11 C ATOM 1309 CD GLN A 175 20.132 -26.923 -4.401 1.00 89.18 C ATOM 1310 OE1 GLN A 175 21.347 -26.827 -4.645 1.00100.00 O ATOM 1311 NE2 GLN A 175 19.456 -28.064 -4.514 1.00 73.94 N ATOM 0 H GLN A 175 18.287 -23.192 -2.813 1.00 20.09 H new ATOM 0 HA GLN A 175 19.888 -24.796 -1.467 1.00 21.75 H new ATOM 0 HB2 GLN A 175 20.198 -23.849 -4.106 1.00 22.30 H new ATOM 0 HB3 GLN A 175 21.170 -24.883 -3.460 1.00 22.30 H new ATOM 0 HG2 GLN A 175 18.757 -25.987 -3.199 1.00 47.11 H new ATOM 0 HG3 GLN A 175 18.768 -25.409 -4.647 1.00 47.11 H new ATOM 0 HE21 GLN A 175 18.615 -28.085 -4.335 1.00 73.94 H new ATOM 0 HE22 GLN A 175 19.860 -28.780 -4.766 1.00 73.94 H new ATOM 1312 N GLY A 176 20.611 -21.719 -1.923 1.00 20.47 N ATOM 1313 CA GLY A 176 21.451 -20.581 -1.564 1.00 20.42 C ATOM 1314 C GLY A 176 20.934 -19.925 -0.266 1.00 23.15 C ATOM 1315 O GLY A 176 19.748 -19.947 0.049 1.00 22.10 O ATOM 0 H GLY A 176 19.891 -21.496 -2.337 1.00 20.47 H new ATOM 0 HA2 GLY A 176 22.368 -20.873 -1.444 1.00 20.42 H new ATOM 0 HA3 GLY A 176 21.452 -19.931 -2.284 1.00 20.42 H new ATOM 1316 N PHE A 177 21.822 -19.336 0.511 1.00 20.36 N ATOM 1317 CA PHE A 177 21.410 -18.692 1.744 1.00 17.92 C ATOM 1318 C PHE A 177 20.640 -17.407 1.455 1.00 22.32 C ATOM 1319 O PHE A 177 19.534 -17.169 1.938 1.00 23.48 O ATOM 1320 CB PHE A 177 22.689 -18.380 2.538 1.00 17.81 C ATOM 1321 CG PHE A 177 22.536 -17.904 3.975 1.00 19.03 C ATOM 1322 CD1 PHE A 177 21.292 -17.608 4.523 1.00 17.30 C ATOM 1323 CD2 PHE A 177 23.663 -17.757 4.791 1.00 23.78 C ATOM 1324 CE1 PHE A 177 21.168 -17.159 5.842 1.00 24.28 C ATOM 1325 CE2 PHE A 177 23.562 -17.330 6.118 1.00 21.53 C ATOM 1326 CZ PHE A 177 22.304 -17.031 6.644 1.00 19.08 C ATOM 0 H PHE A 177 22.665 -19.297 0.345 1.00 20.36 H new ATOM 0 HA PHE A 177 20.820 -19.273 2.249 1.00 17.92 H new ATOM 0 HB2 PHE A 177 23.237 -19.180 2.546 1.00 17.81 H new ATOM 0 HB3 PHE A 177 23.184 -17.703 2.051 1.00 17.81 H new ATOM 0 HD1 PHE A 177 20.528 -17.711 4.002 1.00 17.30 H new ATOM 0 HD2 PHE A 177 24.503 -17.949 4.441 1.00 23.78 H new ATOM 0 HE1 PHE A 177 20.330 -16.946 6.184 1.00 24.28 H new ATOM 0 HE2 PHE A 177 24.324 -17.246 6.644 1.00 21.53 H new ATOM 0 HZ PHE A 177 22.223 -16.747 7.526 1.00 19.08 H new ATOM 1327 N HIS A 178 21.245 -16.545 0.653 1.00 17.57 N ATOM 1328 CA HIS A 178 20.634 -15.291 0.300 1.00 17.29 C ATOM 1329 C HIS A 178 20.448 -15.215 -1.203 1.00 26.88 C ATOM 1330 O HIS A 178 21.381 -14.880 -1.905 1.00 31.28 O ATOM 1331 CB HIS A 178 21.538 -14.135 0.719 1.00 17.83 C ATOM 1332 CG HIS A 178 21.665 -14.078 2.203 1.00 27.67 C ATOM 1333 ND1 HIS A 178 22.764 -14.628 2.862 1.00 31.59 N ATOM 1334 CD2 HIS A 178 20.820 -13.553 3.131 1.00 26.22 C ATOM 1335 CE1 HIS A 178 22.564 -14.424 4.167 1.00 30.41 C ATOM 1336 NE2 HIS A 178 21.401 -13.785 4.359 1.00 28.65 N ATOM 0 H HIS A 178 22.019 -16.676 0.302 1.00 17.57 H new ATOM 0 HA HIS A 178 19.778 -15.230 0.751 1.00 17.29 H new ATOM 0 HB2 HIS A 178 22.415 -14.242 0.318 1.00 17.83 H new ATOM 0 HB3 HIS A 178 21.175 -13.298 0.388 1.00 17.83 H new ATOM 0 HD2 HIS A 178 20.011 -13.123 2.969 1.00 26.22 H new ATOM 0 HE1 HIS A 178 23.146 -14.687 4.843 1.00 30.41 H new ATOM 0 HE2 HIS A 178 21.073 -13.558 5.121 1.00 28.65 H new ATOM 1337 N GLU A 179 19.272 -15.542 -1.686 1.00 20.24 N ATOM 1338 CA GLU A 179 18.994 -15.480 -3.107 1.00 20.30 C ATOM 1339 C GLU A 179 18.098 -14.280 -3.420 1.00 28.27 C ATOM 1340 O GLU A 179 17.645 -13.577 -2.514 1.00 21.63 O ATOM 1341 CB GLU A 179 18.180 -16.711 -3.524 1.00 16.71 C ATOM 1342 CG GLU A 179 18.838 -18.064 -3.213 1.00 21.25 C ATOM 1343 CD GLU A 179 17.961 -19.225 -3.599 1.00 23.40 C ATOM 1344 OE1 GLU A 179 16.761 -19.136 -3.839 1.00 29.38 O ATOM 1345 OE2 GLU A 179 18.622 -20.353 -3.642 1.00 28.31 O ATOM 0 H GLU A 179 18.610 -15.806 -1.204 1.00 20.24 H new ATOM 0 HA GLU A 179 19.844 -15.424 -3.570 1.00 20.30 H new ATOM 0 HB2 GLU A 179 17.318 -16.677 -3.080 1.00 16.71 H new ATOM 0 HB3 GLU A 179 18.010 -16.661 -4.478 1.00 16.71 H new ATOM 0 HG2 GLU A 179 19.682 -18.127 -3.686 1.00 21.25 H new ATOM 0 HG3 GLU A 179 19.039 -18.114 -2.265 1.00 21.25 H new ATOM 1346 N GLU A 180 17.805 -14.066 -4.717 1.00 25.74 N ATOM 1347 CA GLU A 180 16.908 -12.998 -5.117 1.00 23.32 C ATOM 1348 C GLU A 180 15.539 -13.475 -4.725 1.00 26.21 C ATOM 1349 O GLU A 180 15.292 -14.687 -4.715 1.00 26.35 O ATOM 1350 CB GLU A 180 16.964 -12.777 -6.637 1.00 25.01 C ATOM 1351 CG GLU A 180 18.064 -11.763 -6.955 1.00 36.64 C ATOM 1352 CD GLU A 180 18.504 -11.837 -8.382 1.00 86.58 C ATOM 1353 OE1 GLU A 180 19.623 -12.185 -8.719 1.00100.00 O ATOM 1354 OE2 GLU A 180 17.545 -11.494 -9.209 1.00 74.40 O ATOM 0 H GLU A 180 18.120 -14.532 -5.367 1.00 25.74 H new ATOM 0 HA GLU A 180 17.146 -12.156 -4.698 1.00 23.32 H new ATOM 0 HB2 GLU A 180 17.141 -13.616 -7.091 1.00 25.01 H new ATOM 0 HB3 GLU A 180 16.108 -12.455 -6.960 1.00 25.01 H new ATOM 0 HG2 GLU A 180 17.742 -10.868 -6.763 1.00 36.64 H new ATOM 0 HG3 GLU A 180 18.825 -11.921 -6.375 1.00 36.64 H new ATOM 1355 N PRO A 181 14.675 -12.545 -4.388 1.00 17.86 N ATOM 1356 CA PRO A 181 14.989 -11.147 -4.445 1.00 19.37 C ATOM 1357 C PRO A 181 15.251 -10.550 -3.075 1.00 26.84 C ATOM 1358 O PRO A 181 15.117 -11.233 -2.053 1.00 25.01 O ATOM 1359 CB PRO A 181 13.617 -10.545 -4.800 1.00 21.23 C ATOM 1360 CG PRO A 181 12.552 -11.466 -4.220 1.00 20.18 C ATOM 1361 CD PRO A 181 13.233 -12.818 -4.169 1.00 18.55 C ATOM 0 HA PRO A 181 15.751 -10.992 -5.024 1.00 19.37 H new ATOM 0 HB2 PRO A 181 13.531 -9.651 -4.434 1.00 21.23 H new ATOM 0 HB3 PRO A 181 13.516 -10.469 -5.762 1.00 21.23 H new ATOM 0 HG2 PRO A 181 12.272 -11.175 -3.338 1.00 20.18 H new ATOM 0 HG3 PRO A 181 11.758 -11.488 -4.777 1.00 20.18 H new ATOM 0 HD2 PRO A 181 13.086 -13.251 -3.314 1.00 18.55 H new ATOM 0 HD3 PRO A 181 12.882 -13.411 -4.852 1.00 18.55 H new ATOM 1362 N GLN A 182 15.550 -9.240 -3.081 1.00 22.50 N ATOM 1363 CA GLN A 182 15.709 -8.484 -1.846 1.00 21.26 C ATOM 1364 C GLN A 182 14.294 -8.154 -1.374 1.00 25.42 C ATOM 1365 O GLN A 182 13.471 -7.646 -2.142 1.00 26.29 O ATOM 1366 CB GLN A 182 16.380 -7.126 -2.084 1.00 21.55 C ATOM 1367 CG GLN A 182 17.918 -7.156 -2.100 1.00 47.81 C ATOM 1368 CD GLN A 182 18.499 -5.806 -1.695 1.00 97.58 C ATOM 1369 OE1 GLN A 182 18.423 -5.410 -0.518 1.00100.00 O ATOM 1370 NE2 GLN A 182 19.063 -5.082 -2.664 1.00 61.00 N ATOM 0 H GLN A 182 15.663 -8.777 -3.797 1.00 22.50 H new ATOM 0 HA GLN A 182 16.243 -9.005 -1.226 1.00 21.26 H new ATOM 0 HB2 GLN A 182 16.068 -6.770 -2.931 1.00 21.55 H new ATOM 0 HB3 GLN A 182 16.089 -6.511 -1.393 1.00 21.55 H new ATOM 0 HG2 GLN A 182 18.237 -7.843 -1.494 1.00 47.81 H new ATOM 0 HG3 GLN A 182 18.230 -7.393 -2.987 1.00 47.81 H new ATOM 0 HE21 GLN A 182 19.097 -5.390 -3.466 1.00 61.00 H new ATOM 0 HE22 GLN A 182 19.393 -4.308 -2.486 1.00 61.00 H new ATOM 1371 N VAL A 183 13.963 -8.434 -0.130 1.00 20.23 N ATOM 1372 CA VAL A 183 12.618 -8.119 0.336 1.00 18.35 C ATOM 1373 C VAL A 183 12.696 -6.927 1.263 1.00 24.41 C ATOM 1374 O VAL A 183 13.104 -7.058 2.425 1.00 24.19 O ATOM 1375 CB VAL A 183 11.960 -9.303 1.031 1.00 22.00 C ATOM 1376 CG1 VAL A 183 10.610 -8.870 1.561 1.00 18.06 C ATOM 1377 CG2 VAL A 183 11.838 -10.501 0.081 1.00 20.44 C ATOM 0 H VAL A 183 14.482 -8.797 0.452 1.00 20.23 H new ATOM 0 HA VAL A 183 12.063 -7.909 -0.432 1.00 18.35 H new ATOM 0 HB VAL A 183 12.512 -9.592 1.774 1.00 22.00 H new ATOM 0 HG11 VAL A 183 10.182 -9.618 2.006 1.00 18.06 H new ATOM 0 HG12 VAL A 183 10.728 -8.143 2.192 1.00 18.06 H new ATOM 0 HG13 VAL A 183 10.054 -8.571 0.825 1.00 18.06 H new ATOM 0 HG21 VAL A 183 11.417 -11.241 0.546 1.00 20.44 H new ATOM 0 HG22 VAL A 183 11.299 -10.252 -0.686 1.00 20.44 H new ATOM 0 HG23 VAL A 183 12.721 -10.768 -0.218 1.00 20.44 H new ATOM 1378 N LEU A 184 12.332 -5.758 0.734 1.00 18.33 N ATOM 1379 CA LEU A 184 12.381 -4.521 1.509 1.00 23.55 C ATOM 1380 C LEU A 184 11.255 -4.405 2.514 1.00 21.84 C ATOM 1381 O LEU A 184 10.097 -4.752 2.222 1.00 17.69 O ATOM 1382 CB LEU A 184 12.344 -3.272 0.609 1.00 25.12 C ATOM 1383 CG LEU A 184 13.692 -2.648 0.299 1.00 27.46 C ATOM 1384 CD1 LEU A 184 14.652 -3.709 -0.178 1.00 27.74 C ATOM 1385 CD2 LEU A 184 13.490 -1.606 -0.799 1.00 29.64 C ATOM 0 H LEU A 184 12.053 -5.661 -0.074 1.00 18.33 H new ATOM 0 HA LEU A 184 13.225 -4.564 1.984 1.00 23.55 H new ATOM 0 HB2 LEU A 184 11.915 -3.509 -0.228 1.00 25.12 H new ATOM 0 HB3 LEU A 184 11.786 -2.603 1.035 1.00 25.12 H new ATOM 0 HG LEU A 184 14.060 -2.234 1.095 1.00 27.46 H new ATOM 0 HD11 LEU A 184 15.511 -3.304 -0.374 1.00 27.74 H new ATOM 0 HD12 LEU A 184 14.762 -4.380 0.513 1.00 27.74 H new ATOM 0 HD13 LEU A 184 14.301 -4.126 -0.980 1.00 27.74 H new ATOM 0 HD21 LEU A 184 14.341 -1.193 -1.014 1.00 29.64 H new ATOM 0 HD22 LEU A 184 13.130 -2.036 -1.591 1.00 29.64 H new ATOM 0 HD23 LEU A 184 12.870 -0.927 -0.491 1.00 29.64 H new ATOM 1386 N HIS A 185 11.599 -3.891 3.702 1.00 14.79 N ATOM 1387 CA HIS A 185 10.584 -3.726 4.733 1.00 17.73 C ATOM 1388 C HIS A 185 9.989 -2.315 4.782 1.00 22.76 C ATOM 1389 O HIS A 185 9.411 -1.870 5.778 1.00 19.43 O ATOM 1390 CB HIS A 185 11.019 -4.233 6.130 1.00 15.96 C ATOM 1391 CG HIS A 185 11.559 -5.628 6.110 1.00 15.72 C ATOM 1392 ND1 HIS A 185 12.915 -5.870 6.282 1.00 15.42 N ATOM 1393 CD2 HIS A 185 10.922 -6.825 5.979 1.00 17.36 C ATOM 1394 CE1 HIS A 185 13.077 -7.197 6.232 1.00 17.46 C ATOM 1395 NE2 HIS A 185 11.912 -7.790 6.037 1.00 17.26 N ATOM 0 H HIS A 185 12.392 -3.640 3.921 1.00 14.79 H new ATOM 0 HA HIS A 185 9.863 -4.313 4.457 1.00 17.73 H new ATOM 0 HB2 HIS A 185 11.695 -3.636 6.488 1.00 15.96 H new ATOM 0 HB3 HIS A 185 10.259 -4.195 6.732 1.00 15.96 H new ATOM 0 HD1 HIS A 185 13.531 -5.281 6.398 1.00 15.42 H new ATOM 0 HD2 HIS A 185 10.009 -6.965 5.872 1.00 17.36 H new ATOM 0 HE1 HIS A 185 13.891 -7.638 6.321 1.00 17.46 H new ATOM 1396 N TYR A 186 10.123 -1.591 3.678 1.00 21.08 N ATOM 1397 CA TYR A 186 9.564 -0.261 3.586 1.00 20.16 C ATOM 1398 C TYR A 186 9.136 0.043 2.164 1.00 18.72 C ATOM 1399 O TYR A 186 9.440 -0.712 1.231 1.00 19.35 O ATOM 1400 CB TYR A 186 10.498 0.821 4.121 1.00 18.05 C ATOM 1401 CG TYR A 186 11.773 0.893 3.329 1.00 22.98 C ATOM 1402 CD1 TYR A 186 11.975 1.907 2.391 1.00 24.95 C ATOM 1403 CD2 TYR A 186 12.784 -0.048 3.530 1.00 26.99 C ATOM 1404 CE1 TYR A 186 13.170 1.980 1.671 1.00 22.53 C ATOM 1405 CE2 TYR A 186 13.979 -0.006 2.812 1.00 25.46 C ATOM 1406 CZ TYR A 186 14.164 1.019 1.882 1.00 37.48 C ATOM 1407 OH TYR A 186 15.331 1.072 1.171 1.00 45.60 O ATOM 0 H TYR A 186 10.536 -1.857 2.972 1.00 21.08 H new ATOM 0 HA TYR A 186 8.781 -0.250 4.159 1.00 20.16 H new ATOM 0 HB2 TYR A 186 10.049 1.680 4.092 1.00 18.05 H new ATOM 0 HB3 TYR A 186 10.704 0.640 5.051 1.00 18.05 H new ATOM 0 HD1 TYR A 186 11.309 2.539 2.244 1.00 24.95 H new ATOM 0 HD2 TYR A 186 12.657 -0.721 4.159 1.00 26.99 H new ATOM 0 HE1 TYR A 186 13.304 2.664 1.055 1.00 22.53 H new ATOM 0 HE2 TYR A 186 14.639 -0.647 2.950 1.00 25.46 H new ATOM 0 HH TYR A 186 15.829 0.437 1.403 1.00 45.60 H new ATOM 1408 N ASP A 187 8.428 1.156 2.035 1.00 20.10 N ATOM 1409 CA ASP A 187 7.964 1.601 0.724 1.00 20.28 C ATOM 1410 C ASP A 187 9.095 2.163 -0.106 1.00 24.07 C ATOM 1411 O ASP A 187 9.810 3.051 0.343 1.00 28.22 O ATOM 1412 CB ASP A 187 6.858 2.647 0.794 1.00 16.47 C ATOM 1413 CG ASP A 187 6.260 2.862 -0.578 1.00 31.07 C ATOM 1414 OD1 ASP A 187 6.722 2.368 -1.587 1.00 35.35 O ATOM 1415 OD2 ASP A 187 5.184 3.605 -0.557 1.00 53.92 O ATOM 0 H ASP A 187 8.205 1.668 2.689 1.00 20.10 H new ATOM 0 HA ASP A 187 7.604 0.803 0.306 1.00 20.28 H new ATOM 0 HB2 ASP A 187 6.169 2.359 1.413 1.00 16.47 H new ATOM 0 HB3 ASP A 187 7.214 3.483 1.134 1.00 16.47 H new ATOM 1416 N SER A 188 9.259 1.654 -1.318 1.00 22.43 N ATOM 1417 CA SER A 188 10.307 2.132 -2.205 1.00 22.60 C ATOM 1418 C SER A 188 9.847 2.002 -3.621 1.00 23.42 C ATOM 1419 O SER A 188 9.379 0.931 -4.018 1.00 21.05 O ATOM 1420 CB SER A 188 11.608 1.347 -2.066 1.00 29.37 C ATOM 1421 OG SER A 188 12.558 1.737 -3.054 1.00 30.81 O ATOM 0 H SER A 188 8.771 1.027 -1.647 1.00 22.43 H new ATOM 0 HA SER A 188 10.482 3.054 -1.961 1.00 22.60 H new ATOM 0 HB2 SER A 188 11.981 1.490 -1.182 1.00 29.37 H new ATOM 0 HB3 SER A 188 11.425 0.398 -2.147 1.00 29.37 H new ATOM 0 HG SER A 188 13.329 1.514 -2.805 1.00 30.81 H new ATOM 1422 N ARG A 189 10.010 3.094 -4.360 1.00 20.91 N ATOM 1423 CA ARG A 189 9.648 3.123 -5.757 1.00 22.73 C ATOM 1424 C ARG A 189 10.592 2.260 -6.541 1.00 27.27 C ATOM 1425 O ARG A 189 10.326 1.921 -7.674 1.00 28.99 O ATOM 1426 CB ARG A 189 9.666 4.520 -6.330 1.00 32.93 C ATOM 1427 CG ARG A 189 8.590 5.397 -5.712 1.00 73.08 C ATOM 1428 CD ARG A 189 9.019 6.854 -5.606 1.00100.00 C ATOM 1429 NE ARG A 189 9.358 7.438 -6.901 1.00 73.21 N ATOM 1430 CZ ARG A 189 10.273 8.392 -7.062 1.00 89.51 C ATOM 1431 NH1 ARG A 189 10.965 8.887 -6.026 1.00 66.50 N ATOM 1432 NH2 ARG A 189 10.495 8.853 -8.296 1.00 41.88 N ATOM 0 H ARG A 189 10.333 3.833 -4.061 1.00 20.91 H new ATOM 0 HA ARG A 189 8.740 2.787 -5.824 1.00 22.73 H new ATOM 0 HB2 ARG A 189 10.536 4.921 -6.179 1.00 32.93 H new ATOM 0 HB3 ARG A 189 9.537 4.477 -7.290 1.00 32.93 H new ATOM 0 HG2 ARG A 189 7.782 5.338 -6.246 1.00 73.08 H new ATOM 0 HG3 ARG A 189 8.371 5.062 -4.828 1.00 73.08 H new ATOM 0 HD2 ARG A 189 8.304 7.369 -5.201 1.00100.00 H new ATOM 0 HD3 ARG A 189 9.786 6.919 -5.015 1.00100.00 H new ATOM 0 HE ARG A 189 8.944 7.150 -7.598 1.00 73.21 H new ATOM 0 HH11 ARG A 189 10.823 8.588 -5.232 1.00 66.50 H new ATOM 0 HH12 ARG A 189 11.551 9.503 -6.155 1.00 66.50 H new ATOM 0 HH21 ARG A 189 10.052 8.534 -8.960 1.00 41.88 H new ATOM 0 HH22 ARG A 189 11.081 9.469 -8.426 1.00 41.88 H new ATOM 1433 N GLU A 190 11.702 1.872 -5.923 1.00 20.13 N ATOM 1434 CA GLU A 190 12.648 0.985 -6.576 1.00 19.13 C ATOM 1435 C GLU A 190 12.163 -0.456 -6.666 1.00 26.93 C ATOM 1436 O GLU A 190 12.644 -1.227 -7.480 1.00 24.90 O ATOM 1437 CB GLU A 190 13.960 0.950 -5.796 1.00 22.45 C ATOM 1438 CG GLU A 190 14.716 2.263 -5.977 1.00 32.69 C ATOM 1439 CD GLU A 190 15.998 2.267 -5.224 1.00 31.89 C ATOM 1440 OE1 GLU A 190 16.252 3.066 -4.314 1.00 42.72 O ATOM 1441 OE2 GLU A 190 16.769 1.299 -5.653 1.00 29.73 O ATOM 0 H GLU A 190 11.923 2.112 -5.127 1.00 20.13 H new ATOM 0 HA GLU A 190 12.758 1.341 -7.472 1.00 19.13 H new ATOM 0 HB2 GLU A 190 13.780 0.800 -4.855 1.00 22.45 H new ATOM 0 HB3 GLU A 190 14.507 0.210 -6.102 1.00 22.45 H new ATOM 0 HG2 GLU A 190 14.894 2.407 -6.920 1.00 32.69 H new ATOM 0 HG3 GLU A 190 14.162 3.000 -5.677 1.00 32.69 H new ATOM 1442 N THR A 191 11.223 -0.833 -5.797 1.00 29.12 N ATOM 1443 CA THR A 191 10.715 -2.211 -5.731 1.00 28.62 C ATOM 1444 C THR A 191 9.661 -2.563 -6.768 1.00 24.99 C ATOM 1445 O THR A 191 8.614 -1.953 -6.785 1.00 22.79 O ATOM 1446 CB THR A 191 10.152 -2.510 -4.317 1.00 30.44 C ATOM 1447 OG1 THR A 191 11.087 -2.114 -3.306 1.00 31.39 O ATOM 1448 CG2 THR A 191 9.825 -3.997 -4.217 1.00 22.39 C ATOM 0 H THR A 191 10.861 -0.299 -5.228 1.00 29.12 H new ATOM 0 HA THR A 191 11.485 -2.766 -5.931 1.00 28.62 H new ATOM 0 HB THR A 191 9.340 -1.998 -4.175 1.00 30.44 H new ATOM 0 HG1 THR A 191 10.681 -1.993 -2.580 1.00 31.39 H new ATOM 0 HG21 THR A 191 9.472 -4.192 -3.335 1.00 22.39 H new ATOM 0 HG22 THR A 191 9.164 -4.229 -4.888 1.00 22.39 H new ATOM 0 HG23 THR A 191 10.631 -4.516 -4.365 1.00 22.39 H new ATOM 1449 N ASN A 192 9.923 -3.573 -7.595 1.00 27.11 N ATOM 1450 CA ASN A 192 8.952 -3.998 -8.607 1.00 27.78 C ATOM 1451 C ASN A 192 9.112 -5.487 -8.904 1.00 35.88 C ATOM 1452 O ASN A 192 9.789 -5.893 -9.850 1.00 32.47 O ATOM 1453 CB ASN A 192 9.066 -3.161 -9.908 1.00 40.37 C ATOM 1454 CG ASN A 192 7.824 -3.205 -10.783 1.00 67.65 C ATOM 1455 OD1 ASN A 192 7.701 -2.448 -11.759 1.00100.00 O ATOM 1456 ND2 ASN A 192 6.900 -4.098 -10.448 1.00 27.32 N ATOM 0 H ASN A 192 10.654 -4.025 -7.588 1.00 27.11 H new ATOM 0 HA ASN A 192 8.065 -3.844 -8.246 1.00 27.78 H new ATOM 0 HB2 ASN A 192 9.252 -2.239 -9.673 1.00 40.37 H new ATOM 0 HB3 ASN A 192 9.824 -3.481 -10.422 1.00 40.37 H new ATOM 0 HD21 ASN A 192 6.181 -4.169 -10.915 1.00 27.32 H new ATOM 0 HD22 ASN A 192 7.021 -4.606 -9.764 1.00 27.32 H new ATOM 1457 N VAL A 193 8.486 -6.294 -8.050 1.00 32.46 N ATOM 1458 CA VAL A 193 8.512 -7.739 -8.145 1.00 24.75 C ATOM 1459 C VAL A 193 7.127 -8.314 -7.895 1.00 24.72 C ATOM 1460 O VAL A 193 6.527 -8.130 -6.850 1.00 25.43 O ATOM 1461 CB VAL A 193 9.492 -8.345 -7.138 1.00 29.31 C ATOM 1462 CG1 VAL A 193 9.392 -9.868 -7.173 1.00 28.32 C ATOM 1463 CG2 VAL A 193 10.932 -7.878 -7.384 1.00 28.60 C ATOM 0 H VAL A 193 8.025 -6.003 -7.385 1.00 32.46 H new ATOM 0 HA VAL A 193 8.803 -7.965 -9.042 1.00 24.75 H new ATOM 0 HB VAL A 193 9.247 -8.033 -6.253 1.00 29.31 H new ATOM 0 HG11 VAL A 193 10.015 -10.248 -6.534 1.00 28.32 H new ATOM 0 HG12 VAL A 193 8.489 -10.139 -6.945 1.00 28.32 H new ATOM 0 HG13 VAL A 193 9.609 -10.186 -8.063 1.00 28.32 H new ATOM 0 HG21 VAL A 193 11.520 -8.283 -6.727 1.00 28.60 H new ATOM 0 HG22 VAL A 193 11.211 -8.143 -8.274 1.00 28.60 H new ATOM 0 HG23 VAL A 193 10.977 -6.912 -7.306 1.00 28.60 H new ATOM 1464 N VAL A 194 6.625 -9.043 -8.873 1.00 20.09 N ATOM 1465 CA VAL A 194 5.328 -9.676 -8.775 1.00 21.85 C ATOM 1466 C VAL A 194 5.513 -11.104 -8.270 1.00 20.16 C ATOM 1467 O VAL A 194 6.331 -11.900 -8.773 1.00 22.10 O ATOM 1468 CB VAL A 194 4.573 -9.602 -10.129 1.00 25.24 C ATOM 1469 CG1 VAL A 194 3.295 -10.414 -10.071 1.00 20.34 C ATOM 1470 CG2 VAL A 194 4.247 -8.148 -10.481 1.00 24.53 C ATOM 0 H VAL A 194 7.031 -9.185 -9.618 1.00 20.09 H new ATOM 0 HA VAL A 194 4.771 -9.204 -8.136 1.00 21.85 H new ATOM 0 HB VAL A 194 5.149 -9.972 -10.817 1.00 25.24 H new ATOM 0 HG11 VAL A 194 2.836 -10.357 -10.924 1.00 20.34 H new ATOM 0 HG12 VAL A 194 3.509 -11.341 -9.880 1.00 20.34 H new ATOM 0 HG13 VAL A 194 2.721 -10.065 -9.372 1.00 20.34 H new ATOM 0 HG21 VAL A 194 3.776 -8.118 -11.328 1.00 24.53 H new ATOM 0 HG22 VAL A 194 3.688 -7.764 -9.787 1.00 24.53 H new ATOM 0 HG23 VAL A 194 5.070 -7.639 -10.551 1.00 24.53 H new ATOM 1471 N LEU A 195 4.740 -11.460 -7.274 1.00 18.65 N ATOM 1472 CA LEU A 195 4.873 -12.791 -6.709 1.00 19.93 C ATOM 1473 C LEU A 195 4.259 -13.911 -7.540 1.00 25.29 C ATOM 1474 O LEU A 195 3.239 -13.745 -8.221 1.00 21.91 O ATOM 1475 CB LEU A 195 4.239 -12.823 -5.315 1.00 18.57 C ATOM 1476 CG LEU A 195 5.197 -12.533 -4.177 1.00 28.56 C ATOM 1477 CD1 LEU A 195 6.463 -11.849 -4.644 1.00 23.26 C ATOM 1478 CD2 LEU A 195 4.477 -11.779 -3.076 1.00 27.03 C ATOM 0 H LEU A 195 4.140 -10.962 -6.911 1.00 18.65 H new ATOM 0 HA LEU A 195 5.828 -12.960 -6.683 1.00 19.93 H new ATOM 0 HB2 LEU A 195 3.517 -12.176 -5.287 1.00 18.57 H new ATOM 0 HB3 LEU A 195 3.843 -13.697 -5.173 1.00 18.57 H new ATOM 0 HG LEU A 195 5.498 -13.377 -3.806 1.00 28.56 H new ATOM 0 HD11 LEU A 195 7.042 -11.685 -3.883 1.00 23.26 H new ATOM 0 HD12 LEU A 195 6.922 -12.418 -5.282 1.00 23.26 H new ATOM 0 HD13 LEU A 195 6.238 -11.005 -5.067 1.00 23.26 H new ATOM 0 HD21 LEU A 195 5.095 -11.596 -2.351 1.00 27.03 H new ATOM 0 HD22 LEU A 195 4.135 -10.942 -3.427 1.00 27.03 H new ATOM 0 HD23 LEU A 195 3.740 -12.316 -2.745 1.00 27.03 H new ATOM 1479 N LYS A 196 4.877 -15.083 -7.443 1.00 22.56 N ATOM 1480 CA LYS A 196 4.371 -16.263 -8.144 1.00 23.39 C ATOM 1481 C LYS A 196 4.571 -17.529 -7.330 1.00 23.15 C ATOM 1482 O LYS A 196 5.494 -17.638 -6.556 1.00 25.70 O ATOM 1483 CB LYS A 196 4.796 -16.377 -9.590 1.00 29.13 C ATOM 1484 CG LYS A 196 6.253 -16.680 -9.819 1.00 33.70 C ATOM 1485 CD LYS A 196 6.509 -17.024 -11.284 1.00 40.78 C ATOM 0 H LYS A 196 5.588 -15.218 -6.979 1.00 22.56 H new ATOM 0 HA LYS A 196 3.413 -16.133 -8.218 1.00 23.39 H new ATOM 0 HB2 LYS A 196 4.268 -17.073 -10.012 1.00 29.13 H new ATOM 0 HB3 LYS A 196 4.581 -15.545 -10.040 1.00 29.13 H new ATOM 0 HG2 LYS A 196 6.791 -15.915 -9.563 1.00 33.70 H new ATOM 0 HG3 LYS A 196 6.527 -17.421 -9.256 1.00 33.70 H new ATOM 1486 N PRO A 197 3.705 -18.489 -7.473 1.00 19.94 N ATOM 1487 CA PRO A 197 3.820 -19.681 -6.687 1.00 20.99 C ATOM 1488 C PRO A 197 5.145 -20.381 -6.866 1.00 24.24 C ATOM 1489 O PRO A 197 5.730 -20.406 -7.960 1.00 19.56 O ATOM 1490 CB PRO A 197 2.624 -20.567 -7.035 1.00 27.44 C ATOM 1491 CG PRO A 197 1.758 -19.760 -7.996 1.00 27.03 C ATOM 1492 CD PRO A 197 2.569 -18.550 -8.428 1.00 22.55 C ATOM 0 HA PRO A 197 3.804 -19.458 -5.743 1.00 20.99 H new ATOM 0 HB2 PRO A 197 2.916 -21.396 -7.445 1.00 27.44 H new ATOM 0 HB3 PRO A 197 2.126 -20.805 -6.237 1.00 27.44 H new ATOM 0 HG2 PRO A 197 1.509 -20.297 -8.765 1.00 27.03 H new ATOM 0 HG3 PRO A 197 0.935 -19.483 -7.564 1.00 27.03 H new ATOM 0 HD2 PRO A 197 2.882 -18.645 -9.341 1.00 22.55 H new ATOM 0 HD3 PRO A 197 2.037 -17.740 -8.393 1.00 22.55 H new ATOM 1493 N GLY A 198 5.640 -20.953 -5.756 1.00 19.34 N ATOM 1494 CA GLY A 198 6.925 -21.643 -5.826 1.00 17.82 C ATOM 1495 C GLY A 198 8.093 -20.737 -5.456 1.00 22.63 C ATOM 1496 O GLY A 198 9.240 -21.177 -5.362 1.00 23.83 O ATOM 0 H GLY A 198 5.260 -20.951 -4.984 1.00 19.34 H new ATOM 0 HA2 GLY A 198 6.911 -22.408 -5.230 1.00 17.82 H new ATOM 0 HA3 GLY A 198 7.057 -21.985 -6.724 1.00 17.82 H new ATOM 1497 N MET A 199 7.825 -19.447 -5.255 1.00 15.56 N ATOM 1498 CA MET A 199 8.925 -18.598 -4.825 1.00 16.63 C ATOM 1499 C MET A 199 9.085 -18.806 -3.279 1.00 22.90 C ATOM 1500 O MET A 199 8.111 -18.989 -2.542 1.00 19.57 O ATOM 1501 CB MET A 199 8.644 -17.105 -5.043 1.00 15.85 C ATOM 1502 CG MET A 199 8.696 -16.652 -6.480 1.00 21.98 C ATOM 1503 SD MET A 199 8.390 -14.878 -6.478 1.00 30.35 S ATOM 1504 CE MET A 199 8.944 -14.478 -8.147 1.00 38.57 C ATOM 0 H MET A 199 7.061 -19.065 -5.355 1.00 15.56 H new ATOM 0 HA MET A 199 9.711 -18.839 -5.340 1.00 16.63 H new ATOM 0 HB2 MET A 199 7.767 -16.899 -4.684 1.00 15.85 H new ATOM 0 HB3 MET A 199 9.288 -16.590 -4.532 1.00 15.85 H new ATOM 0 HG2 MET A 199 9.560 -16.851 -6.872 1.00 21.98 H new ATOM 0 HG3 MET A 199 8.030 -17.115 -7.011 1.00 21.98 H new ATOM 0 HE1 MET A 199 9.652 -13.817 -8.103 1.00 38.57 H new ATOM 0 HE2 MET A 199 9.277 -15.280 -8.578 1.00 38.57 H new ATOM 0 HE3 MET A 199 8.201 -14.122 -8.658 1.00 38.57 H new ATOM 1505 N THR A 200 10.323 -18.795 -2.785 1.00 16.43 N ATOM 1506 CA THR A 200 10.549 -18.969 -1.363 1.00 18.68 C ATOM 1507 C THR A 200 11.424 -17.824 -0.914 1.00 17.82 C ATOM 1508 O THR A 200 12.450 -17.560 -1.540 1.00 17.94 O ATOM 1509 CB THR A 200 11.238 -20.321 -1.008 1.00 20.70 C ATOM 1510 OG1 THR A 200 12.405 -20.510 -1.812 1.00 21.72 O ATOM 1511 CG2 THR A 200 10.278 -21.471 -1.247 1.00 21.23 C ATOM 0 H THR A 200 11.035 -18.689 -3.255 1.00 16.43 H new ATOM 0 HA THR A 200 9.690 -18.980 -0.912 1.00 18.68 H new ATOM 0 HB THR A 200 11.493 -20.299 -0.072 1.00 20.70 H new ATOM 0 HG1 THR A 200 13.090 -20.347 -1.354 1.00 21.72 H new ATOM 0 HG21 THR A 200 10.714 -22.308 -1.024 1.00 21.23 H new ATOM 0 HG22 THR A 200 9.492 -21.358 -0.690 1.00 21.23 H new ATOM 0 HG23 THR A 200 10.013 -21.483 -2.180 1.00 21.23 H new ATOM 1512 N PHE A 201 11.022 -17.147 0.155 1.00 13.42 N ATOM 1513 CA PHE A 201 11.824 -16.043 0.653 1.00 13.93 C ATOM 1514 C PHE A 201 11.474 -15.838 2.119 1.00 16.93 C ATOM 1515 O PHE A 201 10.514 -16.465 2.654 1.00 15.76 O ATOM 1516 CB PHE A 201 11.623 -14.750 -0.167 1.00 13.53 C ATOM 1517 CG PHE A 201 10.163 -14.293 -0.241 1.00 20.23 C ATOM 1518 CD1 PHE A 201 9.333 -14.712 -1.283 1.00 24.41 C ATOM 1519 CD2 PHE A 201 9.622 -13.425 0.711 1.00 21.39 C ATOM 1520 CE1 PHE A 201 8.005 -14.292 -1.368 1.00 21.75 C ATOM 1521 CE2 PHE A 201 8.304 -12.982 0.634 1.00 22.66 C ATOM 1522 CZ PHE A 201 7.489 -13.427 -0.407 1.00 20.64 C ATOM 0 H PHE A 201 10.302 -17.308 0.598 1.00 13.42 H new ATOM 0 HA PHE A 201 12.764 -16.262 0.560 1.00 13.93 H new ATOM 0 HB2 PHE A 201 12.157 -14.041 0.225 1.00 13.53 H new ATOM 0 HB3 PHE A 201 11.956 -14.891 -1.067 1.00 13.53 H new ATOM 0 HD1 PHE A 201 9.672 -15.283 -1.934 1.00 24.41 H new ATOM 0 HD2 PHE A 201 10.156 -13.135 1.415 1.00 21.39 H new ATOM 0 HE1 PHE A 201 7.466 -14.589 -2.065 1.00 21.75 H new ATOM 0 HE2 PHE A 201 7.970 -12.394 1.272 1.00 22.66 H new ATOM 0 HZ PHE A 201 6.604 -13.147 -0.459 1.00 20.64 H new ATOM 1523 N THR A 202 12.258 -14.955 2.733 1.00 13.41 N ATOM 1524 CA THR A 202 12.038 -14.616 4.126 1.00 12.12 C ATOM 1525 C THR A 202 11.496 -13.180 4.238 1.00 16.73 C ATOM 1526 O THR A 202 11.715 -12.336 3.376 1.00 14.58 O ATOM 1527 CB THR A 202 13.383 -14.653 4.924 1.00 12.35 C ATOM 1528 OG1 THR A 202 14.207 -13.533 4.634 1.00 14.68 O ATOM 1529 CG2 THR A 202 14.196 -15.912 4.700 1.00 13.83 C ATOM 0 H THR A 202 12.917 -14.546 2.360 1.00 13.41 H new ATOM 0 HA THR A 202 11.409 -15.261 4.486 1.00 12.12 H new ATOM 0 HB THR A 202 13.106 -14.633 5.853 1.00 12.35 H new ATOM 0 HG1 THR A 202 14.688 -13.359 5.300 1.00 14.68 H new ATOM 0 HG21 THR A 202 15.012 -15.868 5.222 1.00 13.83 H new ATOM 0 HG22 THR A 202 13.678 -16.685 4.975 1.00 13.83 H new ATOM 0 HG23 THR A 202 14.419 -15.991 3.759 1.00 13.83 H new ATOM 1530 N ILE A 203 10.815 -12.905 5.337 1.00 9.69 N ATOM 1531 CA ILE A 203 10.344 -11.583 5.701 1.00 11.12 C ATOM 1532 C ILE A 203 10.956 -11.440 7.114 1.00 17.84 C ATOM 1533 O ILE A 203 10.821 -12.377 7.899 1.00 12.95 O ATOM 1534 CB ILE A 203 8.837 -11.440 5.675 1.00 16.82 C ATOM 1535 CG1 ILE A 203 8.386 -11.861 4.275 1.00 15.70 C ATOM 1536 CG2 ILE A 203 8.454 -9.976 5.928 1.00 18.20 C ATOM 1537 CD1 ILE A 203 6.903 -11.595 4.092 1.00 19.03 C ATOM 0 H ILE A 203 10.606 -13.508 5.914 1.00 9.69 H new ATOM 0 HA ILE A 203 10.608 -10.886 5.080 1.00 11.12 H new ATOM 0 HB ILE A 203 8.417 -11.985 6.358 1.00 16.82 H new ATOM 0 HG12 ILE A 203 8.892 -11.374 3.606 1.00 15.70 H new ATOM 0 HG13 ILE A 203 8.570 -12.804 4.140 1.00 15.70 H new ATOM 0 HG21 ILE A 203 7.488 -9.886 5.911 1.00 18.20 H new ATOM 0 HG22 ILE A 203 8.789 -9.699 6.795 1.00 18.20 H new ATOM 0 HG23 ILE A 203 8.842 -9.416 5.238 1.00 18.20 H new ATOM 0 HD11 ILE A 203 6.633 -11.867 3.201 1.00 19.03 H new ATOM 0 HD12 ILE A 203 6.400 -12.100 4.750 1.00 19.03 H new ATOM 0 HD13 ILE A 203 6.727 -10.648 4.208 1.00 19.03 H new ATOM 1538 N GLU A 204 11.694 -10.365 7.416 1.00 16.00 N ATOM 1539 CA GLU A 204 12.387 -10.264 8.709 1.00 11.35 C ATOM 1540 C GLU A 204 12.662 -8.814 9.141 1.00 14.65 C ATOM 1541 O GLU A 204 13.782 -8.286 9.265 1.00 13.05 O ATOM 1542 CB GLU A 204 13.706 -11.064 8.536 1.00 10.61 C ATOM 1543 CG GLU A 204 14.620 -10.661 7.339 1.00 18.55 C ATOM 1544 CD GLU A 204 15.920 -11.444 7.318 1.00 25.48 C ATOM 1545 OE1 GLU A 204 16.798 -11.249 8.139 1.00 24.49 O ATOM 1546 OE2 GLU A 204 16.037 -12.358 6.377 1.00 14.16 O ATOM 0 H GLU A 204 11.806 -9.691 6.894 1.00 16.00 H new ATOM 0 HA GLU A 204 11.830 -10.622 9.418 1.00 11.35 H new ATOM 0 HB2 GLU A 204 14.222 -10.977 9.353 1.00 10.61 H new ATOM 0 HB3 GLU A 204 13.480 -12.003 8.442 1.00 10.61 H new ATOM 0 HG2 GLU A 204 14.143 -10.807 6.507 1.00 18.55 H new ATOM 0 HG3 GLU A 204 14.817 -9.713 7.390 1.00 18.55 H new ATOM 1547 N PRO A 205 11.584 -8.121 9.343 1.00 17.60 N ATOM 1548 CA PRO A 205 11.658 -6.727 9.700 1.00 14.03 C ATOM 1549 C PRO A 205 12.399 -6.442 11.008 1.00 16.94 C ATOM 1550 O PRO A 205 12.143 -7.092 12.034 1.00 18.48 O ATOM 1551 CB PRO A 205 10.205 -6.314 9.893 1.00 14.49 C ATOM 1552 CG PRO A 205 9.419 -7.587 10.129 1.00 22.92 C ATOM 1553 CD PRO A 205 10.249 -8.726 9.573 1.00 18.52 C ATOM 0 HA PRO A 205 12.147 -6.249 9.012 1.00 14.03 H new ATOM 0 HB2 PRO A 205 10.116 -5.709 10.646 1.00 14.49 H new ATOM 0 HB3 PRO A 205 9.874 -5.844 9.112 1.00 14.49 H new ATOM 0 HG2 PRO A 205 9.249 -7.716 11.075 1.00 22.92 H new ATOM 0 HG3 PRO A 205 8.556 -7.544 9.689 1.00 22.92 H new ATOM 0 HD2 PRO A 205 10.298 -9.467 10.197 1.00 18.52 H new ATOM 0 HD3 PRO A 205 9.870 -9.073 8.750 1.00 18.52 H new ATOM 1554 N MET A 206 13.280 -5.431 10.966 1.00 15.25 N ATOM 1555 CA MET A 206 14.008 -4.943 12.150 1.00 12.66 C ATOM 1556 C MET A 206 13.388 -3.605 12.480 1.00 20.82 C ATOM 1557 O MET A 206 13.313 -2.685 11.632 1.00 18.50 O ATOM 1558 CB MET A 206 15.507 -4.811 11.918 1.00 14.01 C ATOM 1559 CG MET A 206 16.113 -6.104 11.413 1.00 21.02 C ATOM 1560 SD MET A 206 17.687 -5.780 10.586 1.00 26.36 S ATOM 1561 CE MET A 206 18.453 -7.404 10.565 1.00 28.23 C ATOM 0 H MET A 206 13.473 -5.006 10.244 1.00 15.25 H new ATOM 0 HA MET A 206 13.929 -5.577 12.880 1.00 12.66 H new ATOM 0 HB2 MET A 206 15.674 -4.103 11.276 1.00 14.01 H new ATOM 0 HB3 MET A 206 15.941 -4.552 12.746 1.00 14.01 H new ATOM 0 HG2 MET A 206 16.250 -6.715 12.154 1.00 21.02 H new ATOM 0 HG3 MET A 206 15.501 -6.537 10.798 1.00 21.02 H new ATOM 0 HE1 MET A 206 19.408 -7.310 10.422 1.00 28.23 H new ATOM 0 HE2 MET A 206 18.296 -7.847 11.413 1.00 28.23 H new ATOM 0 HE3 MET A 206 18.070 -7.934 9.848 1.00 28.23 H new ATOM 1562 N VAL A 207 12.897 -3.500 13.698 1.00 15.00 N ATOM 1563 CA VAL A 207 12.235 -2.289 14.111 1.00 12.93 C ATOM 1564 C VAL A 207 12.943 -1.667 15.285 1.00 18.02 C ATOM 1565 O VAL A 207 13.307 -2.388 16.207 1.00 16.44 O ATOM 1566 CB VAL A 207 10.809 -2.613 14.528 1.00 16.72 C ATOM 1567 CG1 VAL A 207 10.046 -1.340 14.943 1.00 17.91 C ATOM 1568 CG2 VAL A 207 10.122 -3.322 13.365 1.00 20.58 C ATOM 0 H VAL A 207 12.937 -4.116 14.297 1.00 15.00 H new ATOM 0 HA VAL A 207 12.243 -1.667 13.366 1.00 12.93 H new ATOM 0 HB VAL A 207 10.817 -3.194 15.305 1.00 16.72 H new ATOM 0 HG11 VAL A 207 9.142 -1.575 15.204 1.00 17.91 H new ATOM 0 HG12 VAL A 207 10.499 -0.920 15.691 1.00 17.91 H new ATOM 0 HG13 VAL A 207 10.017 -0.722 14.196 1.00 17.91 H new ATOM 0 HG21 VAL A 207 9.209 -3.538 13.611 1.00 20.58 H new ATOM 0 HG22 VAL A 207 10.118 -2.741 12.588 1.00 20.58 H new ATOM 0 HG23 VAL A 207 10.601 -4.139 13.155 1.00 20.58 H new ATOM 1569 N ASN A 208 13.099 -0.344 15.234 1.00 15.63 N ATOM 1570 CA ASN A 208 13.738 0.390 16.294 1.00 17.18 C ATOM 1571 C ASN A 208 12.752 1.196 17.106 1.00 19.18 C ATOM 1572 O ASN A 208 11.827 1.799 16.541 1.00 16.08 O ATOM 1573 CB ASN A 208 14.695 1.396 15.695 1.00 17.94 C ATOM 1574 CG ASN A 208 15.857 0.761 15.015 1.00 24.45 C ATOM 1575 OD1 ASN A 208 16.140 -0.456 15.143 1.00 19.11 O ATOM 1576 ND2 ASN A 208 16.570 1.646 14.334 1.00 19.50 N ATOM 0 H ASN A 208 12.833 0.144 14.578 1.00 15.63 H new ATOM 0 HA ASN A 208 14.179 -0.264 16.859 1.00 17.18 H new ATOM 0 HB2 ASN A 208 14.217 1.950 15.058 1.00 17.94 H new ATOM 0 HB3 ASN A 208 15.018 1.984 16.395 1.00 17.94 H new ATOM 0 HD21 ASN A 208 17.291 1.401 13.935 1.00 19.50 H new ATOM 0 HD22 ASN A 208 16.312 2.465 14.291 1.00 19.50 H new ATOM 1577 N ALA A 209 12.990 1.217 18.432 1.00 16.61 N ATOM 1578 CA ALA A 209 12.146 1.983 19.324 1.00 18.81 C ATOM 1579 C ALA A 209 12.320 3.471 19.037 1.00 23.85 C ATOM 1580 O ALA A 209 11.386 4.258 19.167 1.00 23.85 O ATOM 1581 CB ALA A 209 12.451 1.696 20.779 1.00 20.41 C ATOM 0 H ALA A 209 13.632 0.794 18.817 1.00 16.61 H new ATOM 0 HA ALA A 209 11.226 1.720 19.164 1.00 18.81 H new ATOM 0 HB1 ALA A 209 11.867 2.227 21.343 1.00 20.41 H new ATOM 0 HB2 ALA A 209 12.307 0.754 20.960 1.00 20.41 H new ATOM 0 HB3 ALA A 209 13.375 1.923 20.967 1.00 20.41 H new ATOM 1582 N GLY A 210 13.530 3.823 18.632 1.00 17.04 N ATOM 1583 CA GLY A 210 13.887 5.190 18.339 1.00 17.85 C ATOM 1584 C GLY A 210 13.881 5.491 16.860 1.00 22.89 C ATOM 1585 O GLY A 210 12.903 5.181 16.180 1.00 21.68 O ATOM 0 H GLY A 210 14.173 3.263 18.519 1.00 17.04 H new ATOM 0 HA2 GLY A 210 13.267 5.785 18.789 1.00 17.85 H new ATOM 0 HA3 GLY A 210 14.769 5.374 18.699 1.00 17.85 H new ATOM 1586 N LYS A 211 14.996 6.088 16.409 1.00 20.03 N ATOM 1587 CA LYS A 211 15.225 6.526 15.038 1.00 19.22 C ATOM 1588 C LYS A 211 15.725 5.392 14.190 1.00 25.89 C ATOM 1589 O LYS A 211 16.314 4.434 14.683 1.00 25.47 O ATOM 1590 CB LYS A 211 16.326 7.576 14.985 1.00 27.55 C ATOM 1591 CG LYS A 211 15.824 8.995 14.931 1.00 36.93 C ATOM 1592 CD LYS A 211 14.933 9.327 16.098 1.00 24.36 C ATOM 0 H LYS A 211 15.665 6.252 16.924 1.00 20.03 H new ATOM 0 HA LYS A 211 14.377 6.871 14.716 1.00 19.22 H new ATOM 0 HB2 LYS A 211 16.894 7.474 15.765 1.00 27.55 H new ATOM 0 HB3 LYS A 211 16.880 7.410 14.206 1.00 27.55 H new ATOM 0 HG2 LYS A 211 16.579 9.603 14.919 1.00 36.93 H new ATOM 0 HG3 LYS A 211 15.336 9.133 14.104 1.00 36.93 H new ATOM 1593 N LYS A 212 15.531 5.535 12.888 1.00 20.57 N ATOM 1594 CA LYS A 212 15.913 4.466 11.986 1.00 19.74 C ATOM 1595 C LYS A 212 17.405 4.230 11.809 1.00 28.94 C ATOM 1596 O LYS A 212 17.819 3.126 11.412 1.00 20.05 O ATOM 1597 CB LYS A 212 15.237 4.643 10.633 1.00 17.21 C ATOM 1598 CG LYS A 212 15.792 5.839 9.891 1.00 20.83 C ATOM 1599 CD LYS A 212 15.058 6.131 8.600 1.00 28.00 C ATOM 1600 CE LYS A 212 15.648 7.339 7.904 1.00 42.30 C ATOM 1601 NZ LYS A 212 17.098 7.213 7.748 1.00 49.79 N ATOM 0 H LYS A 212 15.187 6.228 12.513 1.00 20.57 H new ATOM 0 HA LYS A 212 15.598 3.662 12.427 1.00 19.74 H new ATOM 0 HB2 LYS A 212 15.362 3.843 10.100 1.00 17.21 H new ATOM 0 HB3 LYS A 212 14.282 4.753 10.759 1.00 17.21 H new ATOM 0 HG2 LYS A 212 15.746 6.619 10.466 1.00 20.83 H new ATOM 0 HG3 LYS A 212 16.730 5.685 9.696 1.00 20.83 H new ATOM 0 HD2 LYS A 212 15.107 5.360 8.014 1.00 28.00 H new ATOM 0 HD3 LYS A 212 14.119 6.287 8.786 1.00 28.00 H new ATOM 0 HE2 LYS A 212 15.236 7.445 7.032 1.00 42.30 H new ATOM 0 HE3 LYS A 212 15.444 8.139 8.413 1.00 42.30 H new ATOM 0 HZ1 LYS A 212 17.367 7.708 7.059 1.00 49.79 H new ATOM 0 HZ2 LYS A 212 17.502 7.494 8.490 1.00 49.79 H new ATOM 0 HZ3 LYS A 212 17.308 6.361 7.601 1.00 49.79 H new ATOM 1602 N GLU A 213 18.211 5.259 12.059 1.00 27.26 N ATOM 1603 CA GLU A 213 19.648 5.155 11.820 1.00 32.25 C ATOM 1604 C GLU A 213 20.407 4.049 12.523 1.00 22.58 C ATOM 1605 O GLU A 213 20.172 3.802 13.678 1.00 28.25 O ATOM 1606 CB GLU A 213 20.390 6.502 11.756 1.00 35.04 C ATOM 1607 CG GLU A 213 19.883 7.380 10.583 1.00 36.21 C ATOM 1608 CD GLU A 213 18.569 8.057 10.877 1.00 38.49 C ATOM 1609 OE1 GLU A 213 18.161 8.234 12.014 1.00 37.05 O ATOM 1610 OE2 GLU A 213 17.913 8.419 9.797 1.00 47.81 O ATOM 0 H GLU A 213 17.949 6.019 12.364 1.00 27.26 H new ATOM 0 HA GLU A 213 19.649 4.820 10.910 1.00 32.25 H new ATOM 0 HB2 GLU A 213 20.270 6.978 12.593 1.00 35.04 H new ATOM 0 HB3 GLU A 213 21.341 6.343 11.654 1.00 35.04 H new ATOM 0 HG2 GLU A 213 20.550 8.054 10.379 1.00 36.21 H new ATOM 0 HG3 GLU A 213 19.786 6.828 9.791 1.00 36.21 H new ATOM 1611 N ILE A 214 21.303 3.397 11.794 1.00 17.43 N ATOM 1612 CA ILE A 214 22.078 2.311 12.361 1.00 17.34 C ATOM 1613 C ILE A 214 23.550 2.543 12.111 1.00 26.65 C ATOM 1614 O ILE A 214 23.941 3.365 11.281 1.00 28.39 O ATOM 1615 CB ILE A 214 21.638 0.951 11.799 1.00 20.19 C ATOM 1616 CG1 ILE A 214 21.799 0.967 10.278 1.00 26.46 C ATOM 1617 CG2 ILE A 214 20.177 0.669 12.117 1.00 15.40 C ATOM 1618 CD1 ILE A 214 21.731 -0.417 9.651 1.00 28.41 C ATOM 0 H ILE A 214 21.475 3.570 10.969 1.00 17.43 H new ATOM 0 HA ILE A 214 21.919 2.293 13.318 1.00 17.34 H new ATOM 0 HB ILE A 214 22.188 0.263 12.205 1.00 20.19 H new ATOM 0 HG12 ILE A 214 21.106 1.525 9.892 1.00 26.46 H new ATOM 0 HG13 ILE A 214 22.650 1.375 10.053 1.00 26.46 H new ATOM 0 HG21 ILE A 214 19.927 -0.194 11.751 1.00 15.40 H new ATOM 0 HG22 ILE A 214 20.051 0.661 13.079 1.00 15.40 H new ATOM 0 HG23 ILE A 214 19.621 1.360 11.724 1.00 15.40 H new ATOM 0 HD11 ILE A 214 21.839 -0.343 8.690 1.00 28.41 H new ATOM 0 HD12 ILE A 214 22.439 -0.972 10.014 1.00 28.41 H new ATOM 0 HD13 ILE A 214 20.871 -0.820 9.849 1.00 28.41 H new ATOM 1619 N ARG A 215 24.370 1.810 12.846 1.00 27.61 N ATOM 1620 CA ARG A 215 25.813 1.884 12.711 1.00 29.65 C ATOM 1621 C ARG A 215 26.495 0.511 12.884 1.00 32.11 C ATOM 1622 O ARG A 215 26.174 -0.254 13.817 1.00 29.49 O ATOM 1623 CB ARG A 215 26.423 2.949 13.625 1.00 31.14 C ATOM 0 H ARG A 215 24.102 1.251 13.442 1.00 27.61 H new ATOM 0 HA ARG A 215 25.988 2.163 11.798 1.00 29.65 H new ATOM 1624 N THR A 216 27.447 0.223 11.969 1.00 24.62 N ATOM 1625 CA THR A 216 28.240 -0.994 11.996 1.00 22.18 C ATOM 1626 C THR A 216 29.435 -0.882 12.905 1.00 25.97 C ATOM 1627 O THR A 216 30.204 0.071 12.852 1.00 34.89 O ATOM 1628 CB THR A 216 28.683 -1.465 10.628 1.00 30.60 C ATOM 1629 OG1 THR A 216 27.517 -1.692 9.878 1.00 40.42 O ATOM 1630 CG2 THR A 216 29.472 -2.758 10.813 1.00 35.05 C ATOM 0 H THR A 216 27.641 0.745 11.314 1.00 24.62 H new ATOM 0 HA THR A 216 27.636 -1.665 12.352 1.00 22.18 H new ATOM 0 HB THR A 216 29.244 -0.818 10.172 1.00 30.60 H new ATOM 0 HG1 THR A 216 27.726 -1.955 9.108 1.00 40.42 H new ATOM 0 HG21 THR A 216 29.769 -3.083 9.948 1.00 35.05 H new ATOM 0 HG22 THR A 216 30.243 -2.589 11.377 1.00 35.05 H new ATOM 0 HG23 THR A 216 28.906 -3.425 11.232 1.00 35.05 H new ATOM 1631 N MET A 217 29.588 -1.857 13.764 1.00 26.18 N ATOM 1632 CA MET A 217 30.682 -1.818 14.722 1.00 30.17 C ATOM 1633 C MET A 217 32.023 -2.121 14.098 1.00 39.49 C ATOM 1634 O MET A 217 32.068 -2.586 12.960 1.00 40.53 O ATOM 1635 CB MET A 217 30.412 -2.707 15.950 1.00 31.09 C ATOM 1636 CG MET A 217 29.142 -2.339 16.711 1.00 34.33 C ATOM 1637 SD MET A 217 29.229 -0.695 17.471 1.00 41.93 S ATOM 1638 CE MET A 217 28.547 0.383 16.180 1.00 33.78 C ATOM 0 H MET A 217 29.080 -2.549 13.817 1.00 26.18 H new ATOM 0 HA MET A 217 30.727 -0.901 15.035 1.00 30.17 H new ATOM 0 HB2 MET A 217 30.350 -3.631 15.662 1.00 31.09 H new ATOM 0 HB3 MET A 217 31.169 -2.648 16.554 1.00 31.09 H new ATOM 0 HG2 MET A 217 28.386 -2.371 16.104 1.00 34.33 H new ATOM 0 HG3 MET A 217 28.980 -3.001 17.401 1.00 34.33 H new ATOM 0 HE1 MET A 217 29.241 0.976 15.854 1.00 33.78 H new ATOM 0 HE2 MET A 217 28.215 -0.159 15.447 1.00 33.78 H new ATOM 0 HE3 MET A 217 27.820 0.909 16.548 1.00 33.78 H new ATOM 1639 N LYS A 218 33.097 -1.847 14.857 1.00 43.24 N ATOM 1640 CA LYS A 218 34.464 -2.075 14.394 1.00 47.09 C ATOM 1641 C LYS A 218 34.792 -3.550 14.185 1.00 56.01 C ATOM 1642 O LYS A 218 35.758 -3.888 13.510 1.00 61.80 O ATOM 1643 CB LYS A 218 35.521 -1.330 15.189 1.00 47.08 C ATOM 0 H LYS A 218 33.046 -1.524 15.653 1.00 43.24 H new ATOM 0 HA LYS A 218 34.494 -1.673 13.512 1.00 47.09 H new ATOM 1644 N ASP A 219 33.956 -4.419 14.751 1.00 48.15 N ATOM 1645 CA ASP A 219 34.109 -5.853 14.609 1.00 51.98 C ATOM 1646 C ASP A 219 33.750 -6.285 13.203 1.00 55.03 C ATOM 1647 O ASP A 219 34.061 -7.389 12.762 1.00 61.21 O ATOM 1648 CB ASP A 219 33.224 -6.644 15.591 1.00 58.08 C ATOM 1649 CG ASP A 219 31.736 -6.532 15.352 1.00 38.29 C ATOM 1650 OD1 ASP A 219 31.217 -6.113 14.325 1.00 42.30 O ATOM 1651 OD2 ASP A 219 31.064 -6.904 16.409 1.00 60.92 O ATOM 0 H ASP A 219 33.281 -4.185 15.230 1.00 48.15 H new ATOM 0 HA ASP A 219 35.039 -6.046 14.805 1.00 51.98 H new ATOM 0 HB2 ASP A 219 33.474 -7.580 15.547 1.00 58.08 H new ATOM 0 HB3 ASP A 219 33.416 -6.341 16.492 1.00 58.08 H new ATOM 1652 N GLY A 220 33.042 -5.409 12.511 1.00 42.31 N ATOM 1653 CA GLY A 220 32.657 -5.711 11.158 1.00 40.78 C ATOM 1654 C GLY A 220 31.383 -6.523 11.057 1.00 49.49 C ATOM 1655 O GLY A 220 30.942 -6.861 9.963 1.00 59.39 O ATOM 0 H GLY A 220 32.780 -4.645 12.806 1.00 42.31 H new ATOM 0 HA2 GLY A 220 32.542 -4.881 10.670 1.00 40.78 H new ATOM 0 HA3 GLY A 220 33.377 -6.197 10.726 1.00 40.78 H new ATOM 1656 N TRP A 221 30.765 -6.836 12.180 1.00 38.49 N ATOM 1657 CA TRP A 221 29.530 -7.602 12.103 1.00 37.78 C ATOM 1658 C TRP A 221 28.367 -6.926 12.813 1.00 33.34 C ATOM 1659 O TRP A 221 27.293 -6.675 12.262 1.00 30.98 O ATOM 1660 CB TRP A 221 29.700 -9.023 12.680 1.00 36.32 C ATOM 1661 CG TRP A 221 30.512 -9.908 11.797 1.00 36.72 C ATOM 1662 CD1 TRP A 221 31.842 -10.190 11.927 1.00 39.74 C ATOM 1663 CD2 TRP A 221 30.059 -10.606 10.651 1.00 34.95 C ATOM 1664 NE1 TRP A 221 32.260 -11.040 10.942 1.00 35.61 N ATOM 1665 CE2 TRP A 221 31.188 -11.306 10.130 1.00 38.11 C ATOM 1666 CE3 TRP A 221 28.815 -10.713 10.036 1.00 36.56 C ATOM 1667 CZ2 TRP A 221 31.090 -12.124 9.011 1.00 34.73 C ATOM 1668 CZ3 TRP A 221 28.730 -11.518 8.925 1.00 40.46 C ATOM 1669 CH2 TRP A 221 29.848 -12.218 8.427 1.00 40.50 C ATOM 0 H TRP A 221 31.028 -6.626 12.971 1.00 38.49 H new ATOM 0 HA TRP A 221 29.324 -7.655 11.157 1.00 37.78 H new ATOM 0 HB2 TRP A 221 30.122 -8.966 13.551 1.00 36.32 H new ATOM 0 HB3 TRP A 221 28.825 -9.421 12.814 1.00 36.32 H new ATOM 0 HD1 TRP A 221 32.390 -9.849 12.597 1.00 39.74 H new ATOM 0 HE1 TRP A 221 33.056 -11.353 10.848 1.00 35.61 H new ATOM 0 HE3 TRP A 221 28.072 -10.259 10.363 1.00 36.56 H new ATOM 0 HZ2 TRP A 221 31.825 -12.584 8.675 1.00 34.73 H new ATOM 0 HZ3 TRP A 221 27.913 -11.603 8.490 1.00 40.46 H new ATOM 0 HH2 TRP A 221 29.742 -12.761 7.679 1.00 40.50 H new ATOM 1670 N THR A 222 28.597 -6.668 14.075 1.00 27.20 N ATOM 1671 CA THR A 222 27.602 -6.068 14.901 1.00 28.55 C ATOM 1672 C THR A 222 27.036 -4.763 14.366 1.00 35.13 C ATOM 1673 O THR A 222 27.758 -3.840 13.968 1.00 33.77 O ATOM 1674 CB THR A 222 28.133 -5.927 16.323 1.00 28.46 C ATOM 1675 OG1 THR A 222 28.572 -7.215 16.704 1.00 36.36 O ATOM 1676 CG2 THR A 222 27.004 -5.491 17.258 1.00 26.96 C ATOM 0 H THR A 222 29.339 -6.838 14.475 1.00 27.20 H new ATOM 0 HA THR A 222 26.840 -6.668 14.899 1.00 28.55 H new ATOM 0 HB THR A 222 28.844 -5.269 16.370 1.00 28.46 H new ATOM 0 HG1 THR A 222 29.410 -7.222 16.756 1.00 36.36 H new ATOM 0 HG21 THR A 222 27.347 -5.403 18.161 1.00 26.96 H new ATOM 0 HG22 THR A 222 26.650 -4.638 16.962 1.00 26.96 H new ATOM 0 HG23 THR A 222 26.298 -6.156 17.245 1.00 26.96 H new ATOM 1677 N VAL A 223 25.708 -4.699 14.381 1.00 22.37 N ATOM 1678 CA VAL A 223 25.044 -3.502 13.946 1.00 21.06 C ATOM 1679 C VAL A 223 24.263 -2.988 15.132 1.00 25.07 C ATOM 1680 O VAL A 223 23.573 -3.761 15.795 1.00 25.42 O ATOM 1681 CB VAL A 223 24.124 -3.732 12.728 1.00 25.37 C ATOM 1682 CG1 VAL A 223 23.403 -2.437 12.394 1.00 24.84 C ATOM 1683 CG2 VAL A 223 24.903 -4.193 11.490 1.00 24.28 C ATOM 0 H VAL A 223 25.188 -5.334 14.638 1.00 22.37 H new ATOM 0 HA VAL A 223 25.700 -2.855 13.644 1.00 21.06 H new ATOM 0 HB VAL A 223 23.496 -4.432 12.966 1.00 25.37 H new ATOM 0 HG11 VAL A 223 22.824 -2.577 11.629 1.00 24.84 H new ATOM 0 HG12 VAL A 223 22.871 -2.157 13.155 1.00 24.84 H new ATOM 0 HG13 VAL A 223 24.054 -1.749 12.184 1.00 24.84 H new ATOM 0 HG21 VAL A 223 24.288 -4.325 10.751 1.00 24.28 H new ATOM 0 HG22 VAL A 223 25.557 -3.518 11.249 1.00 24.28 H new ATOM 0 HG23 VAL A 223 25.357 -5.028 11.685 1.00 24.28 H new ATOM 1684 N LYS A 224 24.380 -1.689 15.415 1.00 20.12 N ATOM 1685 CA LYS A 224 23.640 -1.105 16.534 1.00 16.50 C ATOM 1686 C LYS A 224 22.850 0.112 16.102 1.00 19.98 C ATOM 1687 O LYS A 224 23.155 0.720 15.084 1.00 22.45 O ATOM 1688 CB LYS A 224 24.578 -0.687 17.657 1.00 19.35 C ATOM 1689 CG LYS A 224 25.266 -1.878 18.322 1.00 22.79 C ATOM 1690 CD LYS A 224 25.959 -1.504 19.622 1.00 30.77 C ATOM 0 H LYS A 224 24.874 -1.137 14.979 1.00 20.12 H new ATOM 0 HA LYS A 224 23.033 -1.792 16.850 1.00 16.50 H new ATOM 0 HB2 LYS A 224 25.251 -0.085 17.304 1.00 19.35 H new ATOM 0 HB3 LYS A 224 24.077 -0.193 18.325 1.00 19.35 H new ATOM 0 HG2 LYS A 224 24.609 -2.570 18.497 1.00 22.79 H new ATOM 0 HG3 LYS A 224 25.917 -2.254 17.709 1.00 22.79 H new ATOM 1691 N THR A 225 21.847 0.485 16.885 1.00 13.23 N ATOM 1692 CA THR A 225 21.074 1.658 16.551 1.00 14.43 C ATOM 1693 C THR A 225 21.946 2.882 16.781 1.00 25.98 C ATOM 1694 O THR A 225 22.744 2.879 17.717 1.00 21.79 O ATOM 1695 CB THR A 225 19.834 1.755 17.449 1.00 24.68 C ATOM 1696 OG1 THR A 225 20.228 1.762 18.804 1.00 21.45 O ATOM 1697 CG2 THR A 225 18.844 0.612 17.170 1.00 24.23 C ATOM 0 H THR A 225 21.604 0.077 17.602 1.00 13.23 H new ATOM 0 HA THR A 225 20.787 1.605 15.626 1.00 14.43 H new ATOM 0 HB THR A 225 19.374 2.585 17.249 1.00 24.68 H new ATOM 0 HG1 THR A 225 19.620 1.423 19.275 1.00 21.45 H new ATOM 0 HG21 THR A 225 18.073 0.702 17.752 1.00 24.23 H new ATOM 0 HG22 THR A 225 18.556 0.652 16.245 1.00 24.23 H new ATOM 0 HG23 THR A 225 19.277 -0.240 17.337 1.00 24.23 H new ATOM 1698 N LYS A 226 21.808 3.936 15.969 1.00 25.32 N ATOM 1699 CA LYS A 226 22.627 5.147 16.189 1.00 29.58 C ATOM 1700 C LYS A 226 22.281 5.868 17.486 1.00 28.54 C ATOM 1701 O LYS A 226 23.145 6.402 18.187 1.00 32.75 O ATOM 1702 CB LYS A 226 22.638 6.137 15.031 1.00 30.05 C ATOM 0 H LYS A 226 21.265 3.976 15.304 1.00 25.32 H new ATOM 0 HA LYS A 226 23.528 4.793 16.256 1.00 29.58 H new ATOM 1703 N ASP A 227 21.006 5.870 17.824 1.00 20.63 N ATOM 1704 CA ASP A 227 20.588 6.533 19.047 1.00 20.61 C ATOM 1705 C ASP A 227 20.523 5.635 20.278 1.00 26.79 C ATOM 1706 O ASP A 227 20.007 6.036 21.324 1.00 28.17 O ATOM 1707 CB ASP A 227 19.228 7.195 18.832 1.00 26.35 C ATOM 1708 CG ASP A 227 18.173 6.185 18.468 1.00 33.27 C ATOM 1709 OD1 ASP A 227 18.356 4.969 18.514 1.00 24.80 O ATOM 1710 OD2 ASP A 227 17.046 6.765 18.126 1.00 28.30 O ATOM 0 H ASP A 227 20.375 5.501 17.371 1.00 20.63 H new ATOM 0 HA ASP A 227 21.278 7.188 19.235 1.00 20.61 H new ATOM 0 HB2 ASP A 227 18.964 7.664 19.639 1.00 26.35 H new ATOM 0 HB3 ASP A 227 19.298 7.859 18.129 1.00 26.35 H new ATOM 1711 N ARG A 228 21.029 4.411 20.131 1.00 24.19 N ATOM 1712 CA ARG A 228 21.060 3.444 21.202 1.00 24.67 C ATOM 1713 C ARG A 228 19.696 2.989 21.710 1.00 27.25 C ATOM 1714 O ARG A 228 19.551 2.428 22.801 1.00 28.08 O ATOM 1715 CB ARG A 228 22.039 3.815 22.326 1.00 32.50 C ATOM 1716 CG ARG A 228 23.461 4.084 21.837 1.00 54.74 C ATOM 0 H ARG A 228 21.366 4.124 19.394 1.00 24.19 H new ATOM 0 HA ARG A 228 21.422 2.648 20.783 1.00 24.67 H new ATOM 0 HB2 ARG A 228 21.709 4.603 22.785 1.00 32.50 H new ATOM 0 HB3 ARG A 228 22.060 3.096 22.977 1.00 32.50 H new ATOM 1717 N SER A 229 18.671 3.223 20.918 1.00 21.31 N ATOM 1718 CA SER A 229 17.346 2.756 21.290 1.00 17.20 C ATOM 1719 C SER A 229 17.295 1.224 21.062 1.00 18.62 C ATOM 1720 O SER A 229 18.171 0.612 20.387 1.00 20.86 O ATOM 1721 CB SER A 229 16.280 3.458 20.442 1.00 21.53 C ATOM 1722 OG SER A 229 16.453 3.110 19.070 1.00 22.54 O ATOM 0 H SER A 229 18.715 3.644 20.169 1.00 21.31 H new ATOM 0 HA SER A 229 17.168 2.960 22.221 1.00 17.20 H new ATOM 0 HB2 SER A 229 15.394 3.200 20.741 1.00 21.53 H new ATOM 0 HB3 SER A 229 16.348 4.419 20.552 1.00 21.53 H new ATOM 0 HG SER A 229 17.043 3.601 18.729 1.00 22.54 H new ATOM 1723 N LEU A 230 16.272 0.583 21.628 1.00 18.22 N ATOM 1724 CA LEU A 230 16.134 -0.850 21.499 1.00 16.11 C ATOM 1725 C LEU A 230 15.735 -1.183 20.059 1.00 19.07 C ATOM 1726 O LEU A 230 15.050 -0.391 19.403 1.00 16.51 O ATOM 1727 CB LEU A 230 15.004 -1.360 22.409 1.00 14.84 C ATOM 1728 CG LEU A 230 15.258 -1.191 23.897 1.00 19.16 C ATOM 1729 CD1 LEU A 230 14.004 -1.613 24.642 1.00 20.57 C ATOM 1730 CD2 LEU A 230 16.424 -2.081 24.299 1.00 22.78 C ATOM 0 H LEU A 230 15.654 0.965 22.087 1.00 18.22 H new ATOM 0 HA LEU A 230 16.977 -1.264 21.742 1.00 16.11 H new ATOM 0 HB2 LEU A 230 14.185 -0.894 22.179 1.00 14.84 H new ATOM 0 HB3 LEU A 230 14.857 -2.301 22.224 1.00 14.84 H new ATOM 0 HG LEU A 230 15.472 -0.269 24.110 1.00 19.16 H new ATOM 0 HD11 LEU A 230 14.145 -1.513 25.596 1.00 20.57 H new ATOM 0 HD12 LEU A 230 13.260 -1.056 24.365 1.00 20.57 H new ATOM 0 HD13 LEU A 230 13.805 -2.541 24.441 1.00 20.57 H new ATOM 0 HD21 LEU A 230 16.595 -1.981 25.249 1.00 22.78 H new ATOM 0 HD22 LEU A 230 16.207 -3.006 24.106 1.00 22.78 H new ATOM 0 HD23 LEU A 230 17.215 -1.824 23.799 1.00 22.78 H new ATOM 1731 N SER A 231 16.139 -2.371 19.610 1.00 16.08 N ATOM 1732 CA SER A 231 15.780 -2.844 18.284 1.00 14.55 C ATOM 1733 C SER A 231 15.285 -4.278 18.373 1.00 18.00 C ATOM 1734 O SER A 231 15.832 -5.125 19.111 1.00 17.67 O ATOM 1735 CB SER A 231 16.915 -2.704 17.292 1.00 17.28 C ATOM 1736 OG SER A 231 16.508 -3.188 16.033 1.00 23.59 O ATOM 0 H SER A 231 16.624 -2.917 20.064 1.00 16.08 H new ATOM 0 HA SER A 231 15.064 -2.283 17.947 1.00 14.55 H new ATOM 0 HB2 SER A 231 17.181 -1.774 17.220 1.00 17.28 H new ATOM 0 HB3 SER A 231 17.690 -3.197 17.603 1.00 17.28 H new ATOM 0 HG SER A 231 16.309 -2.541 15.535 1.00 23.59 H new ATOM 1737 N ALA A 232 14.226 -4.561 17.616 1.00 13.33 N ATOM 1738 CA ALA A 232 13.654 -5.907 17.591 1.00 12.03 C ATOM 1739 C ALA A 232 13.442 -6.419 16.149 1.00 16.72 C ATOM 1740 O ALA A 232 13.257 -5.640 15.205 1.00 14.85 O ATOM 1741 CB ALA A 232 12.331 -5.952 18.345 1.00 13.09 C ATOM 0 H ALA A 232 13.825 -3.991 17.112 1.00 13.33 H new ATOM 0 HA ALA A 232 14.294 -6.489 18.030 1.00 12.03 H new ATOM 0 HB1 ALA A 232 11.972 -6.852 18.315 1.00 13.09 H new ATOM 0 HB2 ALA A 232 12.476 -5.693 19.268 1.00 13.09 H new ATOM 0 HB3 ALA A 232 11.702 -5.339 17.932 1.00 13.09 H new ATOM 1742 N GLN A 233 13.434 -7.743 16.033 1.00 15.49 N ATOM 1743 CA GLN A 233 13.268 -8.409 14.772 1.00 12.73 C ATOM 1744 C GLN A 233 12.663 -9.802 14.940 1.00 13.77 C ATOM 1745 O GLN A 233 12.909 -10.514 15.906 1.00 11.93 O ATOM 1746 CB GLN A 233 14.676 -8.530 14.147 1.00 9.51 C ATOM 1747 CG GLN A 233 14.635 -9.258 12.796 1.00 12.06 C ATOM 1748 CD GLN A 233 15.980 -9.451 12.155 1.00 19.61 C ATOM 1749 OE1 GLN A 233 16.984 -9.817 12.804 1.00 22.21 O ATOM 1750 NE2 GLN A 233 15.994 -9.275 10.832 1.00 16.16 N ATOM 0 H GLN A 233 13.527 -8.278 16.700 1.00 15.49 H new ATOM 0 HA GLN A 233 12.661 -7.903 14.210 1.00 12.73 H new ATOM 0 HB2 GLN A 233 15.054 -7.645 14.027 1.00 9.51 H new ATOM 0 HB3 GLN A 233 15.261 -9.008 14.755 1.00 9.51 H new ATOM 0 HG2 GLN A 233 14.221 -10.126 12.921 1.00 12.06 H new ATOM 0 HG3 GLN A 233 14.068 -8.758 12.188 1.00 12.06 H new ATOM 0 HE21 GLN A 233 15.280 -9.022 10.424 1.00 16.16 H new ATOM 0 HE22 GLN A 233 16.717 -9.415 10.387 1.00 16.16 H new ATOM 1751 N TYR A 234 11.870 -10.198 13.960 1.00 13.25 N ATOM 1752 CA TYR A 234 11.324 -11.555 13.911 1.00 12.62 C ATOM 1753 C TYR A 234 11.446 -11.970 12.455 1.00 13.92 C ATOM 1754 O TYR A 234 11.364 -11.103 11.571 1.00 14.55 O ATOM 1755 CB TYR A 234 9.840 -11.668 14.260 1.00 17.78 C ATOM 1756 CG TYR A 234 9.497 -11.625 15.717 1.00 14.26 C ATOM 1757 CD1 TYR A 234 9.209 -12.793 16.427 1.00 13.76 C ATOM 1758 CD2 TYR A 234 9.430 -10.395 16.360 1.00 13.08 C ATOM 1759 CE1 TYR A 234 8.852 -12.736 17.776 1.00 14.24 C ATOM 1760 CE2 TYR A 234 9.083 -10.323 17.707 1.00 11.64 C ATOM 1761 CZ TYR A 234 8.807 -11.491 18.412 1.00 22.16 C ATOM 1762 OH TYR A 234 8.460 -11.384 19.734 1.00 16.55 O ATOM 0 H TYR A 234 11.630 -9.695 13.305 1.00 13.25 H new ATOM 0 HA TYR A 234 11.805 -12.094 14.558 1.00 12.62 H new ATOM 0 HB2 TYR A 234 9.367 -10.948 13.814 1.00 17.78 H new ATOM 0 HB3 TYR A 234 9.503 -12.500 13.892 1.00 17.78 H new ATOM 0 HD1 TYR A 234 9.255 -13.616 15.997 1.00 13.76 H new ATOM 0 HD2 TYR A 234 9.618 -9.616 15.888 1.00 13.08 H new ATOM 0 HE1 TYR A 234 8.647 -13.513 18.244 1.00 14.24 H new ATOM 0 HE2 TYR A 234 9.036 -9.498 18.134 1.00 11.64 H new ATOM 0 HH TYR A 234 8.402 -12.151 20.072 1.00 16.55 H new ATOM 1763 N GLU A 235 11.597 -13.269 12.209 1.00 9.96 N ATOM 1764 CA GLU A 235 11.737 -13.736 10.837 1.00 8.82 C ATOM 1765 C GLU A 235 11.095 -15.091 10.585 1.00 13.54 C ATOM 1766 O GLU A 235 11.120 -16.008 11.410 1.00 13.29 O ATOM 1767 CB GLU A 235 13.245 -13.873 10.492 1.00 9.30 C ATOM 1768 CG GLU A 235 13.545 -14.567 9.141 1.00 18.31 C ATOM 1769 CD GLU A 235 15.003 -14.554 8.723 1.00 23.96 C ATOM 1770 OE1 GLU A 235 15.363 -14.569 7.561 1.00 15.61 O ATOM 1771 OE2 GLU A 235 15.849 -14.577 9.726 1.00 17.59 O ATOM 0 H GLU A 235 11.621 -13.884 12.810 1.00 9.96 H new ATOM 0 HA GLU A 235 11.286 -13.079 10.284 1.00 8.82 H new ATOM 0 HB2 GLU A 235 13.642 -12.988 10.481 1.00 9.30 H new ATOM 0 HB3 GLU A 235 13.681 -14.371 11.201 1.00 9.30 H new ATOM 0 HG2 GLU A 235 13.246 -15.488 9.193 1.00 18.31 H new ATOM 0 HG3 GLU A 235 13.020 -14.137 8.448 1.00 18.31 H new ATOM 1772 N HIS A 236 10.528 -15.236 9.383 1.00 10.98 N ATOM 1773 CA HIS A 236 9.995 -16.520 8.985 1.00 9.72 C ATOM 1774 C HIS A 236 10.360 -16.745 7.505 1.00 14.20 C ATOM 1775 O HIS A 236 10.475 -15.782 6.752 1.00 13.46 O ATOM 1776 CB HIS A 236 8.459 -16.635 9.134 1.00 9.85 C ATOM 1777 CG HIS A 236 7.968 -17.107 10.466 1.00 15.39 C ATOM 1778 ND1 HIS A 236 8.468 -18.243 11.050 1.00 14.32 N ATOM 1779 CD2 HIS A 236 6.998 -16.594 11.289 1.00 16.44 C ATOM 1780 CE1 HIS A 236 7.814 -18.390 12.221 1.00 13.96 C ATOM 1781 NE2 HIS A 236 6.931 -17.417 12.391 1.00 14.53 N ATOM 0 H HIS A 236 10.447 -14.609 8.800 1.00 10.98 H new ATOM 0 HA HIS A 236 10.382 -17.187 9.574 1.00 9.72 H new ATOM 0 HB2 HIS A 236 8.067 -15.766 8.953 1.00 9.85 H new ATOM 0 HB3 HIS A 236 8.129 -17.242 8.453 1.00 9.85 H new ATOM 0 HD2 HIS A 236 6.484 -15.835 11.133 1.00 16.44 H new ATOM 0 HE1 HIS A 236 7.963 -19.080 12.826 1.00 13.96 H new ATOM 0 HE2 HIS A 236 6.410 -17.317 13.068 1.00 14.53 H new ATOM 1782 N THR A 237 10.518 -18.012 7.114 1.00 14.36 N ATOM 1783 CA THR A 237 10.772 -18.444 5.720 1.00 17.24 C ATOM 1784 C THR A 237 9.420 -18.947 5.173 1.00 17.21 C ATOM 1785 O THR A 237 8.686 -19.710 5.809 1.00 15.49 O ATOM 1786 CB THR A 237 11.786 -19.600 5.638 1.00 21.06 C ATOM 1787 OG1 THR A 237 13.079 -19.187 6.090 1.00 17.11 O ATOM 1788 CG2 THR A 237 11.841 -20.107 4.197 1.00 14.49 C ATOM 0 H THR A 237 10.480 -18.671 7.666 1.00 14.36 H new ATOM 0 HA THR A 237 11.140 -17.702 5.216 1.00 17.24 H new ATOM 0 HB THR A 237 11.500 -20.320 6.222 1.00 21.06 H new ATOM 0 HG1 THR A 237 13.038 -18.976 6.902 1.00 17.11 H new ATOM 0 HG21 THR A 237 12.478 -20.836 4.134 1.00 14.49 H new ATOM 0 HG22 THR A 237 10.963 -20.421 3.931 1.00 14.49 H new ATOM 0 HG23 THR A 237 12.118 -19.386 3.610 1.00 14.49 H new ATOM 1789 N ILE A 238 9.053 -18.503 3.990 1.00 16.11 N ATOM 1790 CA ILE A 238 7.751 -18.934 3.477 1.00 15.11 C ATOM 1791 C ILE A 238 7.863 -19.374 2.032 1.00 17.34 C ATOM 1792 O ILE A 238 8.872 -19.132 1.362 1.00 15.32 O ATOM 1793 CB ILE A 238 6.737 -17.762 3.521 1.00 17.97 C ATOM 1794 CG1 ILE A 238 7.250 -16.651 2.605 1.00 22.29 C ATOM 1795 CG2 ILE A 238 6.564 -17.138 4.926 1.00 14.91 C ATOM 1796 CD1 ILE A 238 6.198 -15.611 2.217 1.00 28.58 C ATOM 0 H ILE A 238 9.508 -17.978 3.483 1.00 16.11 H new ATOM 0 HA ILE A 238 7.452 -19.670 4.034 1.00 15.11 H new ATOM 0 HB ILE A 238 5.881 -18.127 3.247 1.00 17.97 H new ATOM 0 HG12 ILE A 238 7.987 -16.200 3.045 1.00 22.29 H new ATOM 0 HG13 ILE A 238 7.605 -17.052 1.796 1.00 22.29 H new ATOM 0 HG21 ILE A 238 5.919 -16.415 4.882 1.00 14.91 H new ATOM 0 HG22 ILE A 238 6.248 -17.815 5.544 1.00 14.91 H new ATOM 0 HG23 ILE A 238 7.416 -16.792 5.234 1.00 14.91 H new ATOM 0 HD11 ILE A 238 6.600 -14.944 1.638 1.00 28.58 H new ATOM 0 HD12 ILE A 238 5.469 -16.047 1.749 1.00 28.58 H new ATOM 0 HD13 ILE A 238 5.857 -15.181 3.017 1.00 28.58 H new ATOM 1797 N VAL A 239 6.800 -19.998 1.564 1.00 16.32 N ATOM 1798 CA VAL A 239 6.716 -20.385 0.173 1.00 15.53 C ATOM 1799 C VAL A 239 5.397 -19.795 -0.359 1.00 16.85 C ATOM 1800 O VAL A 239 4.350 -19.852 0.322 1.00 16.44 O ATOM 1801 CB VAL A 239 6.769 -21.897 -0.091 1.00 16.40 C ATOM 1802 CG1 VAL A 239 5.685 -22.655 0.683 1.00 16.40 C ATOM 1803 CG2 VAL A 239 6.534 -22.102 -1.588 1.00 16.72 C ATOM 0 H VAL A 239 6.113 -20.207 2.038 1.00 16.32 H new ATOM 0 HA VAL A 239 7.500 -20.042 -0.283 1.00 15.53 H new ATOM 0 HB VAL A 239 7.629 -22.239 0.199 1.00 16.40 H new ATOM 0 HG11 VAL A 239 5.752 -23.603 0.490 1.00 16.40 H new ATOM 0 HG12 VAL A 239 5.805 -22.510 1.635 1.00 16.40 H new ATOM 0 HG13 VAL A 239 4.810 -22.332 0.415 1.00 16.40 H new ATOM 0 HG21 VAL A 239 6.561 -23.050 -1.793 1.00 16.72 H new ATOM 0 HG22 VAL A 239 5.666 -21.743 -1.832 1.00 16.72 H new ATOM 0 HG23 VAL A 239 7.226 -21.643 -2.090 1.00 16.72 H new ATOM 1804 N VAL A 240 5.427 -19.191 -1.548 1.00 15.29 N ATOM 1805 CA VAL A 240 4.182 -18.670 -2.112 1.00 16.86 C ATOM 1806 C VAL A 240 3.424 -19.860 -2.716 1.00 19.86 C ATOM 1807 O VAL A 240 4.006 -20.666 -3.455 1.00 19.59 O ATOM 1808 CB VAL A 240 4.423 -17.659 -3.224 1.00 23.22 C ATOM 1809 CG1 VAL A 240 3.093 -17.122 -3.742 1.00 17.25 C ATOM 1810 CG2 VAL A 240 5.300 -16.507 -2.740 1.00 23.53 C ATOM 0 H VAL A 240 6.131 -19.075 -2.029 1.00 15.29 H new ATOM 0 HA VAL A 240 3.689 -18.223 -1.406 1.00 16.86 H new ATOM 0 HB VAL A 240 4.888 -18.110 -3.946 1.00 23.22 H new ATOM 0 HG11 VAL A 240 3.257 -16.479 -4.450 1.00 17.25 H new ATOM 0 HG12 VAL A 240 2.561 -17.855 -4.089 1.00 17.25 H new ATOM 0 HG13 VAL A 240 2.614 -16.690 -3.018 1.00 17.25 H new ATOM 0 HG21 VAL A 240 5.438 -15.878 -3.466 1.00 23.53 H new ATOM 0 HG22 VAL A 240 4.863 -16.056 -2.001 1.00 23.53 H new ATOM 0 HG23 VAL A 240 6.157 -16.854 -2.446 1.00 23.53 H new ATOM 1811 N THR A 241 2.149 -19.976 -2.366 1.00 15.34 N ATOM 1812 CA THR A 241 1.330 -21.047 -2.881 1.00 18.41 C ATOM 1813 C THR A 241 0.344 -20.517 -3.920 1.00 25.43 C ATOM 1814 O THR A 241 0.326 -19.340 -4.251 1.00 21.74 O ATOM 1815 CB THR A 241 0.515 -21.696 -1.761 1.00 21.42 C ATOM 1816 OG1 THR A 241 -0.476 -20.786 -1.288 1.00 18.64 O ATOM 1817 CG2 THR A 241 1.457 -22.209 -0.658 1.00 18.72 C ATOM 0 H THR A 241 1.744 -19.440 -1.829 1.00 15.34 H new ATOM 0 HA THR A 241 1.928 -21.698 -3.281 1.00 18.41 H new ATOM 0 HB THR A 241 0.037 -22.470 -2.097 1.00 21.42 H new ATOM 0 HG1 THR A 241 -0.923 -21.151 -0.677 1.00 18.64 H new ATOM 0 HG21 THR A 241 0.935 -22.619 0.049 1.00 18.72 H new ATOM 0 HG22 THR A 241 2.066 -22.865 -1.032 1.00 18.72 H new ATOM 0 HG23 THR A 241 1.965 -21.467 -0.295 1.00 18.72 H new ATOM 1818 N ASP A 242 -0.508 -21.409 -4.407 1.00 24.30 N ATOM 1819 CA ASP A 242 -1.512 -21.056 -5.397 1.00 26.23 C ATOM 1820 C ASP A 242 -2.462 -19.977 -4.920 1.00 30.88 C ATOM 1821 O ASP A 242 -2.926 -19.169 -5.705 1.00 28.19 O ATOM 1822 CB ASP A 242 -2.361 -22.286 -5.795 1.00 29.42 C ATOM 1823 CG ASP A 242 -1.607 -23.228 -6.699 1.00 63.36 C ATOM 1824 OD1 ASP A 242 -1.680 -24.438 -6.605 1.00 73.27 O ATOM 1825 OD2 ASP A 242 -0.857 -22.609 -7.585 1.00 56.58 O ATOM 0 H ASP A 242 -0.520 -22.236 -4.172 1.00 24.30 H new ATOM 0 HA ASP A 242 -1.012 -20.721 -6.158 1.00 26.23 H new ATOM 0 HB2 ASP A 242 -2.637 -22.759 -4.995 1.00 29.42 H new ATOM 0 HB3 ASP A 242 -3.169 -21.989 -6.242 1.00 29.42 H new ATOM 1826 N ASN A 243 -2.803 -19.973 -3.637 1.00 23.46 N ATOM 1827 CA ASN A 243 -3.754 -18.983 -3.196 1.00 24.66 C ATOM 1828 C ASN A 243 -3.327 -18.276 -1.938 1.00 25.99 C ATOM 1829 O ASN A 243 -4.169 -17.747 -1.227 1.00 28.64 O ATOM 1830 CB ASN A 243 -5.069 -19.688 -2.901 1.00 24.17 C ATOM 1831 CG ASN A 243 -4.901 -20.628 -1.727 1.00 42.82 C ATOM 1832 OD1 ASN A 243 -4.204 -21.647 -1.811 1.00 54.78 O ATOM 1833 ND2 ASN A 243 -5.507 -20.265 -0.601 1.00 86.68 N ATOM 0 H ASN A 243 -2.508 -20.511 -3.035 1.00 23.46 H new ATOM 0 HA ASN A 243 -3.831 -18.321 -3.901 1.00 24.66 H new ATOM 0 HB2 ASN A 243 -5.758 -19.034 -2.705 1.00 24.17 H new ATOM 0 HB3 ASN A 243 -5.361 -20.183 -3.682 1.00 24.17 H new ATOM 0 HD21 ASN A 243 -5.422 -20.746 0.107 1.00 86.68 H new ATOM 0 HD22 ASN A 243 -5.984 -19.550 -0.581 1.00 86.68 H new ATOM 1834 N GLY A 244 -2.040 -18.290 -1.646 1.00 21.52 N ATOM 1835 CA GLY A 244 -1.607 -17.633 -0.432 1.00 20.52 C ATOM 1836 C GLY A 244 -0.167 -18.002 -0.131 1.00 17.87 C ATOM 1837 O GLY A 244 0.709 -17.838 -0.974 1.00 17.20 O ATOM 0 H GLY A 244 -1.422 -18.659 -2.117 1.00 21.52 H new ATOM 0 HA2 GLY A 244 -1.689 -16.671 -0.528 1.00 20.52 H new ATOM 0 HA3 GLY A 244 -2.178 -17.894 0.308 1.00 20.52 H new ATOM 1838 N CYS A 245 0.075 -18.463 1.081 1.00 17.61 N ATOM 1839 CA CYS A 245 1.433 -18.842 1.415 1.00 16.63 C ATOM 1840 C CYS A 245 1.443 -19.876 2.514 1.00 22.15 C ATOM 1841 O CYS A 245 0.433 -20.087 3.199 1.00 23.28 O ATOM 1842 CB CYS A 245 2.336 -17.627 1.739 1.00 19.40 C ATOM 1843 SG CYS A 245 2.117 -16.966 3.428 1.00 24.16 S ATOM 0 H CYS A 245 -0.508 -18.562 1.705 1.00 17.61 H new ATOM 0 HA CYS A 245 1.822 -19.246 0.624 1.00 16.63 H new ATOM 0 HB2 CYS A 245 3.264 -17.885 1.620 1.00 19.40 H new ATOM 0 HB3 CYS A 245 2.154 -16.921 1.099 1.00 19.40 H new ATOM 0 HG CYS A 245 2.853 -16.033 3.592 1.00 24.16 H new ATOM 1844 N GLU A 246 2.602 -20.510 2.679 1.00 16.24 N ATOM 1845 CA GLU A 246 2.759 -21.466 3.742 1.00 15.20 C ATOM 1846 C GLU A 246 4.030 -21.082 4.501 1.00 15.31 C ATOM 1847 O GLU A 246 5.058 -20.781 3.908 1.00 13.88 O ATOM 1848 CB GLU A 246 2.808 -22.892 3.189 1.00 17.86 C ATOM 1849 CG GLU A 246 3.260 -23.955 4.197 1.00 25.72 C ATOM 1850 CD GLU A 246 3.363 -25.295 3.507 1.00 63.87 C ATOM 1851 OE1 GLU A 246 3.078 -25.478 2.331 1.00 28.54 O ATOM 1852 OE2 GLU A 246 3.811 -26.246 4.281 1.00 33.73 O ATOM 0 H GLU A 246 3.297 -20.395 2.186 1.00 16.24 H new ATOM 0 HA GLU A 246 2.002 -21.450 4.349 1.00 15.20 H new ATOM 0 HB2 GLU A 246 1.926 -23.129 2.861 1.00 17.86 H new ATOM 0 HB3 GLU A 246 3.408 -22.910 2.427 1.00 17.86 H new ATOM 0 HG2 GLU A 246 4.118 -23.710 4.577 1.00 25.72 H new ATOM 0 HG3 GLU A 246 2.629 -24.007 4.932 1.00 25.72 H new ATOM 1853 N ILE A 247 3.916 -21.064 5.811 1.00 15.82 N ATOM 1854 CA ILE A 247 5.029 -20.682 6.642 1.00 17.53 C ATOM 1855 C ILE A 247 5.798 -21.914 7.023 1.00 16.32 C ATOM 1856 O ILE A 247 5.314 -22.732 7.796 1.00 20.42 O ATOM 1857 CB ILE A 247 4.545 -19.936 7.889 1.00 20.65 C ATOM 1858 CG1 ILE A 247 3.761 -18.704 7.398 1.00 18.93 C ATOM 1859 CG2 ILE A 247 5.753 -19.545 8.783 1.00 19.57 C ATOM 1860 CD1 ILE A 247 2.599 -18.309 8.288 1.00 18.41 C ATOM 0 H ILE A 247 3.199 -21.270 6.239 1.00 15.82 H new ATOM 0 HA ILE A 247 5.608 -20.080 6.149 1.00 17.53 H new ATOM 0 HB ILE A 247 3.969 -20.491 8.437 1.00 20.65 H new ATOM 0 HG12 ILE A 247 4.371 -17.953 7.327 1.00 18.93 H new ATOM 0 HG13 ILE A 247 3.425 -18.882 6.505 1.00 18.93 H new ATOM 0 HG21 ILE A 247 5.435 -19.074 9.569 1.00 19.57 H new ATOM 0 HG22 ILE A 247 6.226 -20.346 9.057 1.00 19.57 H new ATOM 0 HG23 ILE A 247 6.353 -18.970 8.283 1.00 19.57 H new ATOM 0 HD11 ILE A 247 2.157 -17.530 7.916 1.00 18.41 H new ATOM 0 HD12 ILE A 247 1.968 -19.044 8.342 1.00 18.41 H new ATOM 0 HD13 ILE A 247 2.928 -18.100 9.176 1.00 18.41 H new ATOM 1861 N LEU A 248 7.012 -21.985 6.487 1.00 13.85 N ATOM 1862 CA LEU A 248 7.918 -23.110 6.673 1.00 16.11 C ATOM 1863 C LEU A 248 8.565 -23.189 8.063 1.00 21.90 C ATOM 1864 O LEU A 248 8.890 -24.268 8.535 1.00 20.67 O ATOM 1865 CB LEU A 248 8.978 -23.080 5.563 1.00 13.68 C ATOM 1866 CG LEU A 248 8.358 -23.220 4.173 1.00 19.10 C ATOM 1867 CD1 LEU A 248 9.458 -23.216 3.096 1.00 18.16 C ATOM 1868 CD2 LEU A 248 7.516 -24.501 4.130 1.00 17.13 C ATOM 0 H LEU A 248 7.339 -21.363 5.992 1.00 13.85 H new ATOM 0 HA LEU A 248 7.384 -23.917 6.613 1.00 16.11 H new ATOM 0 HB2 LEU A 248 9.473 -22.247 5.613 1.00 13.68 H new ATOM 0 HB3 LEU A 248 9.615 -23.798 5.706 1.00 13.68 H new ATOM 0 HG LEU A 248 7.777 -22.466 3.988 1.00 19.10 H new ATOM 0 HD11 LEU A 248 9.053 -23.305 2.219 1.00 18.16 H new ATOM 0 HD12 LEU A 248 9.952 -22.382 3.140 1.00 18.16 H new ATOM 0 HD13 LEU A 248 10.064 -23.958 3.249 1.00 18.16 H new ATOM 0 HD21 LEU A 248 7.118 -24.598 3.251 1.00 17.13 H new ATOM 0 HD22 LEU A 248 8.082 -25.267 4.315 1.00 17.13 H new ATOM 0 HD23 LEU A 248 6.814 -24.450 4.798 1.00 17.13 H new ATOM 1869 N THR A 249 8.736 -22.060 8.725 1.00 16.02 N ATOM 1870 CA THR A 249 9.399 -22.077 10.025 1.00 16.09 C ATOM 1871 C THR A 249 8.439 -21.836 11.186 1.00 17.00 C ATOM 1872 O THR A 249 8.817 -21.275 12.209 1.00 16.55 O ATOM 1873 CB THR A 249 10.478 -20.973 9.973 1.00 20.25 C ATOM 1874 OG1 THR A 249 9.851 -19.784 9.511 1.00 14.11 O ATOM 1875 CG2 THR A 249 11.644 -21.368 9.034 1.00 15.35 C ATOM 0 H THR A 249 8.483 -21.285 8.451 1.00 16.02 H new ATOM 0 HA THR A 249 9.781 -22.954 10.187 1.00 16.09 H new ATOM 0 HB THR A 249 10.858 -20.842 10.856 1.00 20.25 H new ATOM 0 HG1 THR A 249 9.287 -19.526 10.078 1.00 14.11 H new ATOM 0 HG21 THR A 249 12.304 -20.658 9.021 1.00 15.35 H new ATOM 0 HG22 THR A 249 12.055 -22.186 9.355 1.00 15.35 H new ATOM 0 HG23 THR A 249 11.304 -21.508 8.137 1.00 15.35 H new ATOM 1876 N LEU A 250 7.177 -22.234 11.053 1.00 12.61 N ATOM 1877 CA LEU A 250 6.229 -21.997 12.122 1.00 15.29 C ATOM 1878 C LEU A 250 6.584 -22.750 13.420 1.00 17.86 C ATOM 1879 O LEU A 250 7.022 -23.904 13.401 1.00 17.72 O ATOM 1880 CB LEU A 250 4.801 -22.379 11.650 1.00 18.71 C ATOM 1881 CG LEU A 250 3.680 -21.713 12.437 1.00 22.00 C ATOM 1882 CD1 LEU A 250 3.474 -20.283 11.952 1.00 25.00 C ATOM 1883 CD2 LEU A 250 2.392 -22.496 12.291 1.00 19.96 C ATOM 0 H LEU A 250 6.858 -22.636 10.363 1.00 12.61 H new ATOM 0 HA LEU A 250 6.266 -21.051 12.333 1.00 15.29 H new ATOM 0 HB2 LEU A 250 4.708 -22.144 10.713 1.00 18.71 H new ATOM 0 HB3 LEU A 250 4.698 -23.341 11.713 1.00 18.71 H new ATOM 0 HG LEU A 250 3.931 -21.697 13.374 1.00 22.00 H new ATOM 0 HD11 LEU A 250 2.759 -19.869 12.459 1.00 25.00 H new ATOM 0 HD12 LEU A 250 4.293 -19.778 12.077 1.00 25.00 H new ATOM 0 HD13 LEU A 250 3.240 -20.291 11.011 1.00 25.00 H new ATOM 0 HD21 LEU A 250 1.689 -22.060 12.797 1.00 19.96 H new ATOM 0 HD22 LEU A 250 2.140 -22.534 11.355 1.00 19.96 H new ATOM 0 HD23 LEU A 250 2.521 -23.397 12.627 1.00 19.96 H new ATOM 1884 N ARG A 251 6.386 -22.108 14.565 1.00 16.21 N ATOM 1885 CA ARG A 251 6.677 -22.738 15.858 1.00 15.95 C ATOM 1886 C ARG A 251 5.407 -22.910 16.643 1.00 19.09 C ATOM 1887 O ARG A 251 4.365 -22.324 16.296 1.00 16.44 O ATOM 1888 CB ARG A 251 7.489 -21.812 16.755 1.00 12.83 C ATOM 1889 CG ARG A 251 8.905 -21.514 16.279 1.00 15.09 C ATOM 1890 CD ARG A 251 9.631 -20.578 17.280 1.00 18.44 C ATOM 1891 NE ARG A 251 8.849 -19.370 17.631 1.00 19.07 N ATOM 1892 CZ ARG A 251 8.732 -18.250 16.905 1.00 18.82 C ATOM 1893 NH1 ARG A 251 9.345 -18.078 15.727 1.00 14.99 N ATOM 1894 NH2 ARG A 251 7.963 -17.266 17.366 1.00 16.86 N ATOM 0 H ARG A 251 6.083 -21.305 14.620 1.00 16.21 H new ATOM 0 HA ARG A 251 7.136 -23.567 15.651 1.00 15.95 H new ATOM 0 HB2 ARG A 251 7.011 -20.973 16.844 1.00 12.83 H new ATOM 0 HB3 ARG A 251 7.538 -22.206 17.640 1.00 12.83 H new ATOM 0 HG2 ARG A 251 9.401 -22.342 16.185 1.00 15.09 H new ATOM 0 HG3 ARG A 251 8.877 -21.099 15.403 1.00 15.09 H new ATOM 0 HD2 ARG A 251 9.829 -21.073 18.090 1.00 18.44 H new ATOM 0 HD3 ARG A 251 10.481 -20.306 16.899 1.00 18.44 H new ATOM 0 HE ARG A 251 8.426 -19.390 18.379 1.00 19.07 H new ATOM 0 HH11 ARG A 251 9.840 -18.703 15.405 1.00 14.99 H new ATOM 0 HH12 ARG A 251 9.243 -17.343 15.293 1.00 14.99 H new ATOM 0 HH21 ARG A 251 7.553 -17.356 18.117 1.00 16.86 H new ATOM 0 HH22 ARG A 251 7.876 -16.540 16.913 1.00 16.86 H new ATOM 1895 N LYS A 252 5.531 -23.659 17.744 1.00 17.95 N ATOM 1896 CA LYS A 252 4.417 -23.878 18.642 1.00 19.00 C ATOM 1897 C LYS A 252 3.825 -22.580 19.180 1.00 20.37 C ATOM 1898 O LYS A 252 2.635 -22.513 19.415 1.00 21.46 O ATOM 1899 CB LYS A 252 4.815 -24.716 19.853 1.00 21.70 C ATOM 1900 CG LYS A 252 5.125 -26.152 19.498 1.00 53.94 C ATOM 0 H LYS A 252 6.261 -24.047 17.981 1.00 17.95 H new ATOM 0 HA LYS A 252 3.758 -24.343 18.102 1.00 19.00 H new ATOM 0 HB2 LYS A 252 5.592 -24.317 20.275 1.00 21.70 H new ATOM 0 HB3 LYS A 252 4.097 -24.696 20.504 1.00 21.70 H new ATOM 1901 N ASP A 253 4.656 -21.559 19.412 1.00 14.75 N ATOM 1902 CA ASP A 253 4.222 -20.292 19.972 1.00 14.69 C ATOM 1903 C ASP A 253 3.702 -19.279 18.968 1.00 19.34 C ATOM 1904 O ASP A 253 3.227 -18.219 19.369 1.00 17.91 O ATOM 1905 CB ASP A 253 5.289 -19.660 20.888 1.00 18.05 C ATOM 1906 CG ASP A 253 6.586 -19.388 20.147 1.00 21.80 C ATOM 1907 OD1 ASP A 253 7.255 -20.235 19.605 1.00 22.20 O ATOM 1908 OD2 ASP A 253 6.934 -18.133 20.149 1.00 30.87 O ATOM 0 H ASP A 253 5.499 -21.591 19.243 1.00 14.75 H new ATOM 0 HA ASP A 253 3.452 -20.535 20.510 1.00 14.69 H new ATOM 0 HB2 ASP A 253 4.948 -18.830 21.256 1.00 18.05 H new ATOM 0 HB3 ASP A 253 5.463 -20.252 21.637 1.00 18.05 H new ATOM 1909 N ASP A 254 3.818 -19.578 17.667 1.00 17.47 N ATOM 1910 CA ASP A 254 3.296 -18.665 16.667 1.00 15.35 C ATOM 1911 C ASP A 254 1.791 -18.703 16.809 1.00 18.70 C ATOM 1912 O ASP A 254 1.238 -19.765 17.144 1.00 17.09 O ATOM 1913 CB ASP A 254 3.673 -19.084 15.237 1.00 12.25 C ATOM 1914 CG ASP A 254 4.924 -18.374 14.803 1.00 12.09 C ATOM 1915 OD1 ASP A 254 5.028 -17.167 14.657 1.00 14.05 O ATOM 1916 OD2 ASP A 254 5.890 -19.194 14.670 1.00 17.31 O ATOM 0 H ASP A 254 4.188 -20.290 17.357 1.00 17.47 H new ATOM 0 HA ASP A 254 3.668 -17.780 16.808 1.00 15.35 H new ATOM 0 HB2 ASP A 254 3.808 -20.044 15.199 1.00 12.25 H new ATOM 0 HB3 ASP A 254 2.947 -18.875 14.629 1.00 12.25 H new ATOM 1917 N THR A 255 1.152 -17.553 16.578 1.00 17.07 N ATOM 1918 CA THR A 255 -0.307 -17.480 16.698 1.00 18.22 C ATOM 1919 C THR A 255 -0.964 -17.207 15.371 1.00 31.49 C ATOM 1920 O THR A 255 -2.055 -16.652 15.295 1.00 37.37 O ATOM 1921 CB THR A 255 -0.767 -16.391 17.667 1.00 21.63 C ATOM 1922 OG1 THR A 255 -0.202 -15.178 17.237 1.00 26.94 O ATOM 1923 CG2 THR A 255 -0.346 -16.733 19.091 1.00 17.34 C ATOM 0 H THR A 255 1.536 -16.817 16.355 1.00 17.07 H new ATOM 0 HA THR A 255 -0.573 -18.349 17.037 1.00 18.22 H new ATOM 0 HB THR A 255 -1.734 -16.318 17.672 1.00 21.63 H new ATOM 0 HG1 THR A 255 -0.440 -14.559 17.753 1.00 26.94 H new ATOM 0 HG21 THR A 255 -0.644 -16.034 19.694 1.00 17.34 H new ATOM 0 HG22 THR A 255 -0.745 -17.577 19.353 1.00 17.34 H new ATOM 0 HG23 THR A 255 0.620 -16.806 19.134 1.00 17.34 H new ATOM 1924 N ILE A 256 -0.267 -17.579 14.333 1.00 18.66 N ATOM 1925 CA ILE A 256 -0.780 -17.411 12.997 1.00 21.57 C ATOM 1926 C ILE A 256 -0.830 -18.808 12.420 1.00 21.94 C ATOM 1927 O ILE A 256 -0.028 -19.652 12.779 1.00 18.35 O ATOM 1928 CB ILE A 256 0.084 -16.416 12.209 1.00 23.75 C ATOM 1929 CG1 ILE A 256 -0.578 -15.997 10.912 1.00 27.07 C ATOM 1930 CG2 ILE A 256 1.479 -16.959 11.943 1.00 20.98 C ATOM 1931 CD1 ILE A 256 0.202 -14.881 10.242 1.00 34.11 C ATOM 0 H ILE A 256 0.515 -17.935 14.376 1.00 18.66 H new ATOM 0 HA ILE A 256 -1.666 -17.018 12.965 1.00 21.57 H new ATOM 0 HB ILE A 256 0.173 -15.629 12.768 1.00 23.75 H new ATOM 0 HG12 ILE A 256 -0.638 -16.759 10.314 1.00 27.07 H new ATOM 0 HG13 ILE A 256 -1.485 -15.702 11.088 1.00 27.07 H new ATOM 0 HG21 ILE A 256 1.992 -16.304 11.445 1.00 20.98 H new ATOM 0 HG22 ILE A 256 1.921 -17.142 12.787 1.00 20.98 H new ATOM 0 HG23 ILE A 256 1.415 -17.778 11.428 1.00 20.98 H new ATOM 0 HD11 ILE A 256 -0.239 -14.629 9.415 1.00 34.11 H new ATOM 0 HD12 ILE A 256 0.242 -14.113 10.834 1.00 34.11 H new ATOM 0 HD13 ILE A 256 1.102 -15.186 10.048 1.00 34.11 H new ATOM 1932 N PRO A 257 -1.802 -19.088 11.571 1.00 25.08 N ATOM 1933 CA PRO A 257 -1.887 -20.414 11.014 1.00 21.61 C ATOM 1934 C PRO A 257 -0.760 -20.604 10.034 1.00 20.26 C ATOM 1935 O PRO A 257 -0.240 -19.660 9.453 1.00 21.85 O ATOM 1936 CB PRO A 257 -3.266 -20.522 10.341 1.00 25.72 C ATOM 1937 CG PRO A 257 -4.052 -19.289 10.773 1.00 27.99 C ATOM 1938 CD PRO A 257 -3.047 -18.300 11.342 1.00 23.13 C ATOM 0 HA PRO A 257 -1.802 -21.108 11.687 1.00 21.61 H new ATOM 0 HB2 PRO A 257 -3.178 -20.555 9.376 1.00 25.72 H new ATOM 0 HB3 PRO A 257 -3.721 -21.335 10.613 1.00 25.72 H new ATOM 0 HG2 PRO A 257 -4.526 -18.902 10.020 1.00 27.99 H new ATOM 0 HG3 PRO A 257 -4.719 -19.522 11.438 1.00 27.99 H new ATOM 0 HD2 PRO A 257 -2.889 -17.568 10.725 1.00 23.13 H new ATOM 0 HD3 PRO A 257 -3.371 -17.909 12.169 1.00 23.13 H new ATOM 1939 N ALA A 258 -0.375 -21.849 9.862 1.00 19.06 N ATOM 1940 CA ALA A 258 0.710 -22.214 8.988 1.00 16.67 C ATOM 1941 C ALA A 258 0.385 -22.022 7.505 1.00 20.81 C ATOM 1942 O ALA A 258 1.260 -21.745 6.692 1.00 20.87 O ATOM 1943 CB ALA A 258 1.048 -23.668 9.233 1.00 21.14 C ATOM 0 H ALA A 258 -0.744 -22.518 10.257 1.00 19.06 H new ATOM 0 HA ALA A 258 1.457 -21.628 9.189 1.00 16.67 H new ATOM 0 HB1 ALA A 258 1.778 -23.933 8.652 1.00 21.14 H new ATOM 0 HB2 ALA A 258 1.312 -23.788 10.159 1.00 21.14 H new ATOM 0 HB3 ALA A 258 0.271 -24.217 9.045 1.00 21.14 H new ATOM 1944 N ILE A 259 -0.870 -22.220 7.158 1.00 16.62 N ATOM 1945 CA ILE A 259 -1.300 -22.044 5.779 1.00 21.58 C ATOM 1946 C ILE A 259 -2.285 -20.884 5.744 1.00 20.31 C ATOM 1947 O ILE A 259 -3.273 -20.856 6.492 1.00 20.46 O ATOM 1948 CB ILE A 259 -1.952 -23.309 5.197 1.00 25.10 C ATOM 1949 CG1 ILE A 259 -1.031 -24.529 5.257 1.00 24.78 C ATOM 1950 CG2 ILE A 259 -2.422 -23.073 3.759 1.00 27.98 C ATOM 1951 CD1 ILE A 259 -0.050 -24.586 4.092 1.00 48.96 C ATOM 0 H ILE A 259 -1.492 -22.457 7.702 1.00 16.62 H new ATOM 0 HA ILE A 259 -0.521 -21.862 5.231 1.00 21.58 H new ATOM 0 HB ILE A 259 -2.722 -23.501 5.755 1.00 25.10 H new ATOM 0 HG12 ILE A 259 -0.536 -24.515 6.091 1.00 24.78 H new ATOM 0 HG13 ILE A 259 -1.570 -25.336 5.261 1.00 24.78 H new ATOM 0 HG21 ILE A 259 -2.829 -23.883 3.414 1.00 27.98 H new ATOM 0 HG22 ILE A 259 -3.073 -22.354 3.745 1.00 27.98 H new ATOM 0 HG23 ILE A 259 -1.663 -22.832 3.206 1.00 27.98 H new ATOM 0 HD11 ILE A 259 0.508 -25.375 4.177 1.00 48.96 H new ATOM 0 HD12 ILE A 259 -0.541 -24.627 3.257 1.00 48.96 H new ATOM 0 HD13 ILE A 259 0.508 -23.793 4.100 1.00 48.96 H new ATOM 1952 N ILE A 260 -1.997 -19.890 4.907 1.00 16.93 N ATOM 1953 CA ILE A 260 -2.897 -18.769 4.794 1.00 18.66 C ATOM 1954 C ILE A 260 -3.524 -18.808 3.408 1.00 26.82 C ATOM 1955 O ILE A 260 -2.832 -18.822 2.393 1.00 22.30 O ATOM 1956 CB ILE A 260 -2.245 -17.436 5.053 1.00 19.52 C ATOM 1957 CG1 ILE A 260 -1.652 -17.510 6.449 1.00 22.18 C ATOM 1958 CG2 ILE A 260 -3.307 -16.344 5.005 1.00 15.12 C ATOM 1959 CD1 ILE A 260 -0.461 -16.577 6.620 1.00 27.29 C ATOM 0 H ILE A 260 -1.297 -19.853 4.408 1.00 16.93 H new ATOM 0 HA ILE A 260 -3.572 -18.855 5.485 1.00 18.66 H new ATOM 0 HB ILE A 260 -1.563 -17.236 4.393 1.00 19.52 H new ATOM 0 HG12 ILE A 260 -2.334 -17.283 7.100 1.00 22.18 H new ATOM 0 HG13 ILE A 260 -1.376 -18.421 6.633 1.00 22.18 H new ATOM 0 HG21 ILE A 260 -2.893 -15.483 5.171 1.00 15.12 H new ATOM 0 HG22 ILE A 260 -3.726 -16.338 4.130 1.00 15.12 H new ATOM 0 HG23 ILE A 260 -3.979 -16.516 5.683 1.00 15.12 H new ATOM 0 HD11 ILE A 260 -0.115 -16.656 7.523 1.00 27.29 H new ATOM 0 HD12 ILE A 260 0.232 -16.818 5.986 1.00 27.29 H new ATOM 0 HD13 ILE A 260 -0.741 -15.662 6.461 1.00 27.29 H new ATOM 1960 N SER A 261 -4.836 -18.859 3.385 1.00 28.47 N ATOM 1961 CA SER A 261 -5.543 -18.948 2.120 1.00 29.67 C ATOM 1962 C SER A 261 -6.400 -17.738 1.844 1.00 27.41 C ATOM 1963 O SER A 261 -7.034 -17.168 2.738 1.00 25.10 O ATOM 1964 CB SER A 261 -6.405 -20.207 2.045 1.00 40.89 C ATOM 1965 OG SER A 261 -6.650 -20.706 3.351 1.00 81.10 O ATOM 0 H SER A 261 -5.338 -18.844 4.083 1.00 28.47 H new ATOM 0 HA SER A 261 -4.854 -18.990 1.438 1.00 29.67 H new ATOM 0 HB2 SER A 261 -7.246 -20.007 1.604 1.00 40.89 H new ATOM 0 HB3 SER A 261 -5.958 -20.883 1.511 1.00 40.89 H new ATOM 0 HG SER A 261 -7.125 -21.397 3.303 1.00 81.10 H new ATOM 1966 N HIS A 262 -6.423 -17.376 0.566 1.00 26.08 N ATOM 1967 CA HIS A 262 -7.210 -16.241 0.104 1.00 27.02 C ATOM 1968 C HIS A 262 -8.359 -16.690 -0.812 1.00 38.26 C ATOM 1969 O HIS A 262 -8.186 -17.560 -1.657 1.00 44.27 O ATOM 1970 CB HIS A 262 -6.295 -15.206 -0.580 1.00 26.61 C ATOM 1971 CG HIS A 262 -5.289 -14.644 0.374 1.00 27.42 C ATOM 1972 ND1 HIS A 262 -5.623 -13.630 1.240 1.00 32.70 N ATOM 1973 CD2 HIS A 262 -3.999 -14.991 0.603 1.00 24.53 C ATOM 1974 CE1 HIS A 262 -4.538 -13.371 1.971 1.00 28.82 C ATOM 1975 NE2 HIS A 262 -3.554 -14.174 1.611 1.00 25.20 N ATOM 0 H HIS A 262 -5.985 -17.780 -0.054 1.00 26.08 H new ATOM 0 HA HIS A 262 -7.621 -15.815 0.873 1.00 27.02 H new ATOM 0 HB2 HIS A 262 -5.837 -15.622 -1.327 1.00 26.61 H new ATOM 0 HB3 HIS A 262 -6.834 -14.486 -0.943 1.00 26.61 H new ATOM 0 HD2 HIS A 262 -3.513 -15.651 0.164 1.00 24.53 H new ATOM 0 HE1 HIS A 262 -4.483 -12.722 2.635 1.00 28.82 H new ATOM 0 HE2 HIS A 262 -2.765 -14.183 1.952 1.00 25.20 H new ATOM 1976 N ASP A 263 -9.537 -16.096 -0.657 1.00 42.65 N ATOM 1977 CA ASP A 263 -10.683 -16.469 -1.488 1.00 53.32 C ATOM 1978 C ASP A 263 -11.780 -15.419 -1.351 1.00100.00 C ATOM 1979 O ASP A 263 -12.448 -15.299 -0.318 1.00 67.58 O ATOM 1980 CB ASP A 263 -11.229 -17.874 -1.149 1.00 50.76 C ATOM 0 H ASP A 263 -9.696 -15.478 -0.081 1.00 42.65 H new ATOM 0 HA ASP A 263 -10.379 -16.505 -2.408 1.00 53.32 H new TER 1981 ASP A 263 HETATM 1982 CO CO A 401 17.104 -14.126 6.678 1.00 20.35 CO HETATM 1983 CO CO A 402 17.986 -15.137 9.702 1.00 21.60 CO HETATM 1984 NA NA A 501 17.963 -6.408 19.557 1.00 11.80 NA HETATM 1985 N MET A 300 20.165 -15.570 9.484 1.00 19.00 N HETATM 1986 CA MET A 300 20.663 -14.263 8.895 1.00 37.08 C HETATM 1987 C MET A 300 19.721 -13.728 7.780 1.00 38.82 C HETATM 1988 O MET A 300 18.496 -13.679 8.084 1.00 17.38 O HETATM 1989 CB MET A 300 22.108 -14.375 8.337 1.00 42.88 C HETATM 1990 CG MET A 300 23.200 -13.482 8.957 1.00 52.40 C HETATM 1991 SD MET A 300 24.820 -14.248 8.713 1.00 59.84 S HETATM 1992 CE MET A 300 25.865 -13.160 9.714 1.00 56.14 C HETATM 1993 OXT MET A 300 20.232 -13.338 6.686 1.00 27.77 O HETATM 0 HA MET A 300 20.667 -13.632 9.632 1.00 37.08 H new HETATM 0 HB2 MET A 300 22.391 -15.298 8.431 1.00 42.88 H new HETATM 0 HB3 MET A 300 22.074 -14.185 7.386 1.00 42.88 H new HETATM 0 HG2 MET A 300 23.183 -12.603 8.548 1.00 52.40 H new HETATM 0 HG3 MET A 300 23.030 -13.358 9.904 1.00 52.40 H new HETATM 0 HE1 MET A 300 26.754 -13.542 9.787 1.00 56.14 H new HETATM 0 HE2 MET A 300 25.922 -12.288 9.292 1.00 56.14 H new HETATM 0 HE3 MET A 300 25.480 -13.066 10.599 1.00 56.14 H new HETATM 1994 O HOH A 502 9.494 -15.856 13.917 1.00 14.44 O HETATM 1995 O HOH A 503 10.627 -20.024 14.000 1.00 11.86 O HETATM 1996 O HOH A 504 16.029 -12.522 11.644 1.00 17.25 O HETATM 1997 O HOH A 505 20.421 -11.890 16.000 1.00 18.19 O HETATM 1998 O HOH A 506 21.162 -11.350 13.535 1.00 18.74 O HETATM 1999 O HOH A 507 15.358 -17.101 -5.722 1.00 38.26 O HETATM 2000 O HOH A 508 24.285 -16.088 0.268 1.00 40.40 O HETATM 2001 O HOH A 509 7.830 -25.426 11.275 1.00 35.62 O HETATM 2002 O HOH A 510 13.174 -23.617 4.627 1.00 25.31 O HETATM 2003 O HOH A 511 10.717 -20.408 21.699 1.00 22.68 O HETATM 2004 O HOH A 512 7.045 -15.394 15.391 1.00 17.66 O HETATM 2005 O HOH A 513 10.095 -14.238 25.974 1.00 35.90 O HETATM 2006 O HOH A 514 26.943 -11.818 22.122 1.00 35.53 O HETATM 2007 O HOH A 515 29.821 -20.284 21.490 1.00 23.45 O HETATM 2008 O HOH A 516 29.333 -22.319 17.506 1.00 30.30 O HETATM 2009 O HOH A 517 17.673 -36.982 18.468 1.00 29.49 O HETATM 2010 O HOH A 518 25.927 -32.534 11.253 1.00 38.78 O HETATM 2011 O HOH A 519 27.001 -21.325 4.812 1.00 37.34 O HETATM 2012 O HOH A 520 25.186 -21.610 2.760 1.00 28.11 O HETATM 2013 O HOH A 521 18.203 -9.170 15.301 1.00 14.88 O HETATM 2014 O HOH A 522 16.538 -5.873 15.444 1.00 19.92 O HETATM 2015 O HOH A 523 16.949 -7.684 17.344 1.00 19.03 O HETATM 2016 O HOH A 524 15.822 -3.988 27.527 1.00 40.71 O HETATM 2017 O HOH A 525 13.040 -5.784 34.270 1.00 37.63 O HETATM 2018 O HOH A 526 -0.111 -1.183 7.117 1.00 28.74 O HETATM 2019 O HOH A 527 -1.214 -14.773 2.645 1.00 21.62 O HETATM 2020 O HOH A 528 -2.169 -21.485 0.680 1.00 31.54 O HETATM 2021 O HOH A 529 9.117 -4.714 -0.153 1.00 24.27 O HETATM 2022 O HOH A 530 9.454 -1.828 -1.159 1.00 19.20 O HETATM 2023 O HOH A 531 -2.393 -7.785 6.011 1.00 47.82 O HETATM 2024 O HOH A 532 10.474 6.303 16.503 1.00 31.82 O HETATM 2025 O HOH A 533 14.231 -4.065 8.371 1.00 26.43 O HETATM 2026 O HOH A 534 0.943 -6.854 -9.024 1.00 49.51 O HETATM 2027 O HOH A 535 17.315 -23.007 -4.406 1.00 31.53 O HETATM 2028 O HOH A 536 8.310 -22.006 21.311 1.00 43.13 O HETATM 2029 O HOH A 537 1.650 -22.649 16.047 1.00 32.97 O HETATM 2030 O HOH A 538 11.681 -33.364 16.055 1.00 23.51 O HETATM 2031 O HOH A 539 13.880 -15.409 31.296 1.00 38.70 O HETATM 2032 O HOH A 540 20.709 -21.424 31.029 1.00 34.36 O HETATM 2033 O HOH A 541 27.214 -26.343 12.296 1.00 27.39 O HETATM 2034 O HOH A 542 24.083 -8.812 21.190 1.00 24.20 O HETATM 2035 O HOH A 543 23.151 -8.153 28.759 1.00 35.79 O HETATM 2036 O HOH A 544 15.861 -30.780 3.858 1.00 24.22 O HETATM 2037 O HOH A 545 12.007 -5.925 28.379 1.00 36.15 O HETATM 2038 O HOH A 546 10.713 4.371 9.729 1.00 20.89 O HETATM 2039 O HOH A 547 17.750 2.470 8.546 1.00 20.41 O HETATM 2040 O HOH A 548 14.134 -3.149 4.960 1.00 27.09 O HETATM 2041 O HOH A 549 12.314 -18.433 -4.715 1.00 27.12 O HETATM 2042 O HOH A 550 18.755 -11.208 -1.700 1.00 41.84 O HETATM 2043 O HOH A 551 14.148 -30.876 -8.245 1.00 35.07 O HETATM 2044 O HOH A 552 14.281 -27.739 25.438 1.00 25.59 O HETATM 2045 O HOH A 553 19.046 -11.149 11.775 1.00 19.66 O HETATM 2046 O HOH A 554 21.038 -18.558 35.133 1.00 37.78 O HETATM 2047 O HOH A 555 5.587 3.855 20.482 1.00 38.91 O HETATM 2048 O HOH A 556 -0.471 -21.464 14.404 1.00 32.52 O HETATM 2049 O HOH A 557 28.260 -8.646 19.007 1.00 34.26 O HETATM 2050 O HOH A 558 18.430 4.685 7.211 1.00 33.41 O HETATM 2051 O HOH A 559 15.700 -33.477 4.076 1.00 35.27 O HETATM 2052 O HOH A 560 10.630 -30.000 15.164 1.00 42.09 O HETATM 2053 O HOH A 561 11.768 -28.432 24.612 1.00 38.88 O HETATM 2054 O HOH A 562 14.818 2.370 23.513 1.00 36.51 O HETATM 2055 O HOH A 563 23.634 -5.279 23.826 1.00 44.31 O HETATM 2056 O HOH A 564 18.217 -4.937 30.734 1.00 39.46 O HETATM 2057 O HOH A 565 19.168 -9.537 36.133 1.00 30.28 O HETATM 2058 O HOH A 566 8.207 -13.768 21.070 1.00 35.94 O HETATM 2059 O HOH A 567 2.628 -5.054 -9.943 1.00 52.99 O HETATM 2060 O HOH A 568 1.724 5.374 9.059 1.00 30.75 O HETATM 2061 O HOH A 569 24.711 -19.981 0.168 1.00 35.49 O HETATM 2062 O HOH A 570 18.972 5.322 15.502 1.00 21.94 O HETATM 2063 O HOH A 571 21.497 4.294 8.907 1.00 32.91 O HETATM 2064 O HOH A 572 15.748 9.151 11.434 1.00 41.09 O HETATM 2065 O HOH A 573 0.156 -20.794 19.022 1.00 49.07 O HETATM 2066 O HOH A 574 5.943 -10.567 21.299 1.00 37.38 O HETATM 2067 O HOH A 575 14.117 7.656 12.443 1.00 40.10 O HETATM 2068 O HOH A 576 7.750 -26.763 7.719 1.00 39.84 O HETATM 2069 O HOH A 577 21.945 -21.110 12.329 1.00 43.59 O HETATM 2070 O HOH A 578 -0.753 -8.053 12.826 1.00 31.10 O HETATM 2071 O HOH A 579 11.291 6.952 10.529 1.00 37.86 O HETATM 2072 O HOH A 580 3.611 -23.568 -3.935 1.00 37.27 O HETATM 2073 O HOH A 581 23.069 -22.792 30.240 1.00 50.07 O HETATM 2074 O HOH A 582 31.937 -21.702 16.798 1.00 41.84 O HETATM 2075 O HOH A 583 17.723 -35.129 10.574 1.00 39.92 O HETATM 2076 O HOH A 584 21.896 -2.680 26.550 1.00 52.06 O HETATM 2077 O HOH A 585 26.812 -7.637 21.412 1.00 45.09 O HETATM 2078 O HOH A 586 29.763 -9.934 20.868 1.00 51.88 O HETATM 2079 O HOH A 587 13.729 -12.101 37.252 1.00 46.00 O HETATM 2080 O HOH A 588 13.251 -0.872 28.416 1.00 46.15 O HETATM 2081 O HOH A 589 0.425 -1.618 0.985 1.00 36.71 O HETATM 2082 O HOH A 590 7.516 7.816 6.106 1.00 55.35 O HETATM 2083 O HOH A 591 10.154 7.597 7.845 1.00 54.56 O HETATM 2084 O HOH A 592 23.914 -17.838 -1.155 1.00 56.51 O HETATM 2085 O HOH A 593 12.369 -4.721 -7.678 1.00 44.10 O HETATM 2086 O HOH A 594 19.301 7.933 14.686 1.00 38.26 O HETATM 2087 O HOH A 595 26.572 -7.072 9.727 1.00 43.81 O HETATM 2088 O HOH A 596 0.919 -24.184 -4.516 1.00 47.12 O HETATM 2089 O HOH A 597 -1.695 -23.405 12.489 1.00 53.24 O HETATM 2090 O HOH A 598 19.085 -10.931 9.477 1.00 50.64 O CONECT 549 1984 CONECT 566 1984 CONECT 717 1983 CONECT 718 1983 CONECT 800 1982 CONECT 801 1983 CONECT 1286 1982 CONECT 1546 1982 CONECT 1734 1984 CONECT 1770 1982 CONECT 1771 1983 CONECT 1982 800 1286 1546 1770 CONECT 1982 1988 CONECT 1983 717 718 801 1771 CONECT 1983 1985 1988 CONECT 1984 549 566 1734 2015 CONECT 1985 1983 CONECT 1988 1982 1983 CONECT 2015 1984 END