USER MOD reduce.3.24.130724 H: found=0, std=0, add=1170, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER METALLOPROTEASE 13-SEP-94 1HFC TITLE 1.56 ANGSTROM STRUCTURE OF MATURE TRUNCATED HUMAN TITLE 2 FIBROBLAST COLLAGENASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIBROBLAST COLLAGENASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.4.24.7; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS METALLOPROTEASE EXPDTA X-RAY DIFFRACTION AUTHOR J.C.SPURLINO,D.L.SMITH REVDAT 3 24-FEB-09 1HFC 1 VERSN REVDAT 2 01-APR-03 1HFC 1 JRNL REVDAT 1 26-JAN-95 1HFC 0 JRNL AUTH J.C.SPURLINO,A.M.SMALLWOOD,D.D.CARLTON,T.M.BANKS, JRNL AUTH 2 K.J.VAVRA,J.S.JOHNSON,E.R.COOK,J.FALVO,R.C.WAHL, JRNL AUTH 3 T.A.PULVINO,J.J.WENDOLOSKI,D.L.SMITH JRNL TITL 1.56 A STRUCTURE OF MATURE TRUNCATED HUMAN JRNL TITL 2 FIBROBLAST COLLAGENASE. JRNL REF PROTEINS V. 19 98 1994 JRNL REFN ISSN 0887-3585 JRNL PMID 8090713 JRNL DOI 10.1002/PROT.340190203 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.STAMS,J.C.SPURLINO,D.L.SMITH,R.C.WAHL,T.F.HO, REMARK 1 AUTH 2 M.W.QORONFLEH,T.M.BANKS,B.RUBIN REMARK 1 TITL STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS REMARK 1 TITL 2 LARGE S1' SPECIFICITY POCKET REMARK 1 REF NAT.STRUCT.BIOL. V. 1 119 1994 REMARK 1 REFN ISSN 1072-8368 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ, X-PLOR REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 21710 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.174 REMARK 3 R VALUE (WORKING SET) : 0.174 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 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL 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) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1245 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 28 REMARK 3 SOLVENT ATOMS : 88 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HFC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.41 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 54.60500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.14000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.28500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 18.14000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 54.60500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 22.28500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 VAL A 101 REMARK 465 LEU A 102 REMARK 465 THR A 103 REMARK 465 GLU A 104 REMARK 465 GLY A 105 REMARK 465 ASN A 106 REMARK 465 GLN A 264 REMARK 465 ASN A 265 REMARK 465 PRO A 266 REMARK 465 VAL A 267 REMARK 465 GLN A 268 REMARK 465 PRO A 269 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 ARG A 108 NE - CZ - NH1 ANGL. DEV. = -4.3 DEGREES REMARK 500 GLU A 110 CB - CG - CD ANGL. DEV. = 22.1 DEGREES REMARK 500 GLU A 110 OE1 - CD - OE2 ANGL. DEV. = -9.7 DEGREES REMARK 500 GLU A 110 CG - CD - OE1 ANGL. DEV. = 13.5 DEGREES REMARK 500 ARG A 117 CD - NE - CZ ANGL. DEV. = 17.4 DEGREES REMARK 500 ARG A 117 NE - CZ - NH1 ANGL. DEV. = 16.3 DEGREES REMARK 500 ARG A 117 NE - CZ - NH2 ANGL. DEV. = -11.8 DEGREES REMARK 500 ARG A 117 O - C - N ANGL. DEV. = 10.0 DEGREES REMARK 500 ASP A 131 OD1 - CG - OD2 ANGL. DEV. = -12.4 DEGREES REMARK 500 ASP A 131 CB - CG - OD1 ANGL. DEV. = 10.6 DEGREES REMARK 500 GLU A 154 CA - CB - CG ANGL. DEV. = 18.5 DEGREES REMARK 500 ARG A 165 CD - NE - CZ ANGL. DEV. = 10.7 DEGREES REMARK 500 ARG A 165 NE - CZ - NH1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 167 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ASP A 167 CB - CG - OD2 ANGL. DEV. = -8.7 DEGREES REMARK 500 HIS A 168 CG - ND1 - CE1 ANGL. DEV. = 11.1 DEGREES REMARK 500 HIS A 168 ND1 - CE1 - NE2 ANGL. DEV. = -6.7 DEGREES REMARK 500 HIS A 183 ND1 - CE1 - NE2 ANGL. DEV. = 7.9 DEGREES REMARK 500 HIS A 183 CG - CD2 - NE2 ANGL. DEV. = 12.4 DEGREES REMARK 500 HIS A 196 CE1 - NE2 - CD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 202 CD - NE - CZ ANGL. DEV. = 9.7 DEGREES REMARK 500 ARG A 202 NE - CZ - NH1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 202 NE - CZ - NH2 ANGL. DEV. = 6.9 DEGREES REMARK 500 PHE A 207 CB - CG - CD2 ANGL. DEV. = 5.1 DEGREES REMARK 500 PHE A 207 CB - CG - CD1 ANGL. DEV. = -8.0 DEGREES REMARK 500 ARG A 208 CG - CD - NE ANGL. DEV. = -13.6 DEGREES REMARK 500 ARG A 208 NE - CZ - NH1 ANGL. DEV. = 5.7 DEGREES REMARK 500 LEU A 212 CB - CG - CD1 ANGL. DEV. = 10.8 DEGREES REMARK 500 ARG A 214 NE - CZ - NH2 ANGL. DEV. = 3.4 DEGREES REMARK 500 VAL A 215 O - C - N ANGL. DEV. = 11.0 DEGREES REMARK 500 HIS A 218 CB - CG - CD2 ANGL. DEV. = 7.2 DEGREES REMARK 500 HIS A 218 ND1 - CE1 - NE2 ANGL. DEV. = 8.8 DEGREES REMARK 500 SER A 223 O - C - N ANGL. DEV. = 10.0 DEGREES REMARK 500 ASP A 231 CB - CG - OD2 ANGL. DEV. = -9.5 DEGREES REMARK 500 TYR A 237 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES REMARK 500 VAL A 246 O - C - N ANGL. DEV. = 10.2 DEGREES REMARK 500 ASP A 252 OD1 - CG - OD2 ANGL. DEV. = 14.3 DEGREES REMARK 500 ASP A 252 CB - CG - OD1 ANGL. DEV. = -7.0 DEGREES REMARK 500 ASP A 252 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 TYR A 260 CG - CD1 - CE1 ANGL. DEV. = 6.1 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 ASN A 206 -151.73 -145.76 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 208 0.13 SIDE_CHAIN 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 ZN A 275 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 228 NE2 REMARK 620 2 HIS A 218 NE2 104.0 REMARK 620 3 HIS A 222 NE2 96.6 100.4 REMARK 620 4 PLH A 280 O1 153.1 102.1 85.0 REMARK 620 5 PLH A 280 O2 91.1 103.6 152.2 76.5 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 276 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 196 ND1 REMARK 620 2 ASP A 170 OD2 94.5 REMARK 620 3 HIS A 168 NE2 108.0 104.7 REMARK 620 4 HIS A 183 NE2 111.4 120.1 115.7 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 277 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 175 OD1 REMARK 620 2 GLY A 176 O 87.8 REMARK 620 3 ASN A 180 O 88.2 174.6 REMARK 620 4 ASP A 198 OD2 93.0 88.2 95.7 REMARK 620 5 GLU A 201 OE2 176.4 92.2 91.5 90.5 REMARK 620 6 GLY A 178 O 86.7 84.6 91.5 172.8 89.8 REMARK 620 N 1 2 3 4 5 REMARK 700 REMARK 700 SHEET REMARK 700 S1 AS PRESENTED ON SHEET RECORDS BELOW IS A FIVE-STRANDED REMARK 700 SHEET. THE HET GROUP HAP IS LOCATED IN SUCH A POSITION REMARK 700 THAT IT COULD BE CONSIDERED THE SIXTH STRAND OF THIS SHEET REMARK 700 SHEET AND PRO 238 - PHE 242 COULD BE CONSIDERED THE SEVENTH REMARK 700 STRAND OF THIS SHEET. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 275 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 276 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 277 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PLH A 280 DBREF 1HFC A 101 269 UNP P03956 MMP1_HUMAN 101 269 SEQRES 1 A 169 VAL LEU THR GLU GLY ASN PRO ARG TRP GLU GLN THR HIS SEQRES 2 A 169 LEU THR TYR ARG ILE GLU ASN TYR THR PRO ASP LEU PRO SEQRES 3 A 169 ARG ALA ASP VAL ASP HIS ALA ILE GLU LYS ALA PHE GLN SEQRES 4 A 169 LEU TRP SER ASN VAL THR PRO LEU THR PHE THR LYS VAL SEQRES 5 A 169 SER GLU GLY GLN ALA ASP ILE MET ILE SER PHE VAL ARG SEQRES 6 A 169 GLY ASP HIS ARG ASP ASN SER PRO PHE ASP GLY PRO GLY SEQRES 7 A 169 GLY ASN LEU ALA HIS ALA PHE GLN PRO GLY PRO GLY ILE SEQRES 8 A 169 GLY GLY ASP ALA HIS PHE ASP GLU ASP GLU ARG TRP THR SEQRES 9 A 169 ASN ASN PHE ARG GLU TYR ASN LEU HIS ARG VAL ALA ALA SEQRES 10 A 169 HIS GLU LEU GLY HIS SER LEU GLY LEU SER HIS SER THR SEQRES 11 A 169 ASP ILE GLY ALA LEU MET TYR PRO SER TYR THR PHE SER SEQRES 12 A 169 GLY ASP VAL GLN LEU ALA GLN ASP ASP ILE ASP GLY ILE SEQRES 13 A 169 GLN ALA ILE TYR GLY ARG SER GLN ASN PRO VAL GLN PRO HET ZN A 275 1 HET ZN A 276 1 HET CA A 277 1 HET PLH A 280 25 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION HETNAM PLH METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA CA 2+ FORMUL 5 PLH C18 H27 N3 O4 FORMUL 6 HOH *88(H2 O) HELIX 1 I ARG A 127 SER A 142 1 16 HELIX 2 II LEU A 212 LEU A 224 1 13 HELIX 3 III GLN A 250 TYR A 260 1 11 SHEET 1 S1 5 THR A 148 VAL A 152 0 SHEET 2 S1 5 HIS A 113 ILE A 118 1 O LEU A 114 N THR A 150 SHEET 3 S1 5 ILE A 159 ARG A 165 1 O ILE A 159 N ARG A 117 SHEET 4 S1 5 ALA A 195 ASP A 198 1 O PHE A 197 N VAL A 164 SHEET 5 S1 5 LEU A 181 PHE A 185 -1 O HIS A 183 N HIS A 196 LINK ZN ZN A 275 NE2 HIS A 228 1555 1555 2.02 LINK ZN ZN A 275 NE2 HIS A 218 1555 1555 1.88 LINK ZN ZN A 275 NE2 HIS A 222 1555 1555 2.08 LINK ZN ZN A 275 O1 PLH A 280 1555 1555 2.19 LINK ZN ZN A 275 O2 PLH A 280 1555 1555 2.06 LINK ZN ZN A 276 ND1 HIS A 196 1555 1555 2.07 LINK ZN ZN A 276 OD2 ASP A 170 1555 1555 1.89 LINK ZN ZN A 276 NE2 HIS A 168 1555 1555 2.07 LINK ZN ZN A 276 NE2 HIS A 183 1555 1555 1.89 LINK CA CA A 277 OD1 ASP A 175 1555 1555 2.32 LINK CA CA A 277 O GLY A 176 1555 1555 2.29 LINK CA CA A 277 O ASN A 180 1555 1555 2.40 LINK CA CA A 277 OD2 ASP A 198 1555 1555 2.32 LINK CA CA A 277 OE2 GLU A 201 1555 1555 2.22 LINK CA CA A 277 O GLY A 178 1555 1555 2.45 CISPEP 1 GLU A 209 TYR A 210 0 -0.66 SITE *** AC1 4 HIS A 218 HIS A 222 HIS A 228 PLH A 280 SITE *** AC2 4 HIS A 168 ASP A 170 HIS A 183 HIS A 196 SITE *** AC3 6 ASP A 175 GLY A 176 GLY A 178 ASN A 180 SITE *** AC3 6 ASP A 198 GLU A 201 SITE *** AC4 19 ASN A 171 GLY A 179 ASN A 180 LEU A 181 SITE *** AC4 19 ALA A 182 PHE A 207 TYR A 210 HIS A 218 SITE *** AC4 19 GLU A 219 HIS A 222 HIS A 228 TYR A 237 SITE *** AC4 19 PRO A 238 SER A 239 TYR A 240 PHE A 242 SITE *** AC4 19 ZN A 275 HOH A 295 HOH A 312 CRYST1 109.210 44.570 36.280 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009157 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022437 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027563 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 168 HIS HE2 : A 168 HIS NE2 : A 276 ZNZN :(H bumps) USER MOD NoAdj-H: A 183 HIS HE2 : A 183 HIS NE2 : A 276 ZNZN :(H bumps) USER MOD NoAdj-H: A 196 HIS HD1 : A 196 HIS ND1 : A 276 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 275 ZNZN :(H bumps) USER MOD NoAdj-H: A 222 HIS HE2 : A 222 HIS NE2 : A 275 ZNZN :(H bumps) USER MOD NoAdj-H: A 228 HIS HE2 : A 228 HIS NE2 : A 275 ZNZN :(H bumps) USER MOD Set 1.1: A 132 HIS : no HD1:sc= -1.11 K(o=-1,f=-0.3) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -165:sc= 0.11 (180deg=0) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= -0.52 USER MOD Set 2.2: A 113 HIS : no HD1:sc= -0.893 K(o=-1.4,f=-0.21) USER MOD Set 2.3: A 148 THR OG1 : rot 180:sc= 0.00551 USER MOD Single : A 111 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.17) USER MOD Single : A 115 THR OG1 : rot -120:sc= 1.35 USER MOD Single : A 116 TYR OH : rot 30:sc= 1.18 USER MOD Single : A 120 ASN : amide:sc= 1.16 K(o=1.2,f=-6.1!) USER MOD Single : A 121 TYR OH : rot -147:sc= 2.26 USER MOD Single : A 122 THR OG1 : rot 115:sc= 1.08 USER MOD Single : A 139 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.151 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 145 THR OG1 : rot -86:sc= 0.449 USER MOD Single : A 150 THR OG1 : rot 103:sc= 1.2 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -99:sc= 0.247 USER MOD Single : A 156 GLN : amide:sc= -0.103 K(o=-0.1,f=0.52) USER MOD Single : A 160 MET CE :methyl -113:sc=-0.00229 (180deg=-0.674) USER MOD Single : A 162 SER OG : rot 21:sc= 1.48 USER MOD Single : A 171 ASN : amide:sc= 0.241 X(o=0.24,f=-0.063) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 180 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.5!) USER MOD Single : A 186 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 204 THR OG1 : rot -152:sc= 0.841 USER MOD Single : A 205 ASN : amide:sc= 1.03 K(o=1,f=-2) USER MOD Single : A 206 ASN : amide:sc= -4.03! C(o=-4!,f=-10!) USER MOD Single : A 210 TYR OH : rot 180:sc= 1.12 USER MOD Single : A 211 ASN : amide:sc= 0.819 K(o=0.82,f=-5.6!) USER MOD Single : A 213 HIS : no HE2:sc= 0.551 K(o=0.55,f=-4.5!) USER MOD Single : A 223 SER OG : rot -100:sc= 0.758 USER MOD Single : A 227 SER OG : rot 40:sc= 0.127 USER MOD Single : A 229 SER OG : rot 109:sc= 1.49 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 236 MET CE :methyl -177:sc= 0 (180deg=-0.00796) USER MOD Single : A 237 TYR OH : rot 180:sc= 0.0728 USER MOD Single : A 239 SER OG : rot -65:sc= 0.249 USER MOD Single : A 240 TYR OH : rot 177:sc= 1.58 USER MOD Single : A 241 THR OG1 : rot -157:sc= 1.53 USER MOD Single : A 243 SER OG : rot 174:sc= 0.262 USER MOD Single : A 247 GLN : amide:sc= 1.19 K(o=1.2,f=0.68) USER MOD Single : A 250 GLN : amide:sc= 0.0142 X(o=0.014,f=-0.31) USER MOD Single : A 257 GLN : amide:sc= -0.988 K(o=-0.99,f=0.09) USER MOD Single : A 260 TYR OH : rot 155:sc= 1.46 USER MOD Single : A 263 SER OG : rot -166:sc= 0.00705 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 107 6.000 20.001 34.620 1.00 26.18 N ATOM 2 CA PRO A 107 5.798 21.460 34.830 1.00 22.40 C ATOM 3 C PRO A 107 5.285 22.015 33.504 1.00 18.88 C ATOM 4 O PRO A 107 5.754 21.632 32.425 1.00 18.84 O ATOM 5 CB PRO A 107 7.178 21.963 35.262 1.00 27.06 C ATOM 6 CG PRO A 107 8.111 21.045 34.498 1.00 27.41 C ATOM 7 CD PRO A 107 7.446 19.675 34.736 1.00 25.95 C ATOM 0 HA PRO A 107 5.151 21.726 35.502 1.00 22.40 H new ATOM 0 HB2 PRO A 107 7.314 22.894 35.026 1.00 27.06 H new ATOM 0 HB3 PRO A 107 7.305 21.892 36.221 1.00 27.06 H new ATOM 0 HG2 PRO A 107 8.156 21.271 33.556 1.00 27.41 H new ATOM 0 HG3 PRO A 107 9.018 21.076 34.841 1.00 27.41 H new ATOM 0 HD2 PRO A 107 7.723 19.019 34.078 1.00 25.95 H new ATOM 0 HD3 PRO A 107 7.666 19.312 35.608 1.00 25.95 H new ATOM 8 N ARG A 108 4.269 22.880 33.624 1.00 12.86 N ATOM 9 CA ARG A 108 3.675 23.484 32.427 1.00 9.65 C ATOM 10 C ARG A 108 3.013 24.785 32.889 1.00 9.28 C ATOM 11 O ARG A 108 2.762 25.050 34.085 1.00 12.36 O ATOM 12 CB ARG A 108 2.594 22.568 31.812 1.00 14.73 C ATOM 13 CG ARG A 108 1.326 22.487 32.685 1.00 16.54 C ATOM 14 CD ARG A 108 0.451 21.345 32.239 1.00 18.03 C ATOM 15 NE ARG A 108 -0.164 21.537 30.948 1.00 20.79 N ATOM 16 CZ ARG A 108 -1.281 22.257 30.760 1.00 22.36 C ATOM 17 NH1 ARG A 108 -1.791 22.848 31.851 1.00 22.78 N ATOM 18 NH2 ARG A 108 -1.810 22.368 29.548 1.00 17.72 N ATOM 0 H ARG A 108 3.918 23.124 34.370 1.00 12.86 H new ATOM 0 HA ARG A 108 4.357 23.629 31.752 1.00 9.65 H new ATOM 0 HB2 ARG A 108 2.357 22.898 30.931 1.00 14.73 H new ATOM 0 HB3 ARG A 108 2.959 21.677 31.692 1.00 14.73 H new ATOM 0 HG2 ARG A 108 1.574 22.367 33.615 1.00 16.54 H new ATOM 0 HG3 ARG A 108 0.833 23.321 32.628 1.00 16.54 H new ATOM 0 HD2 ARG A 108 0.983 20.534 32.215 1.00 18.03 H new ATOM 0 HD3 ARG A 108 -0.245 21.208 32.900 1.00 18.03 H new ATOM 0 HE ARG A 108 0.205 21.171 30.263 1.00 20.79 H new ATOM 0 HH11 ARG A 108 -1.403 22.753 32.613 1.00 22.78 H new ATOM 0 HH12 ARG A 108 -2.506 23.322 31.789 1.00 22.78 H new ATOM 0 HH21 ARG A 108 -1.437 21.978 28.879 1.00 17.72 H new ATOM 0 HH22 ARG A 108 -2.526 22.830 29.432 1.00 17.72 H new ATOM 19 N TRP A 109 2.774 25.607 31.899 1.00 6.50 N ATOM 20 CA TRP A 109 2.054 26.885 32.119 1.00 7.02 C ATOM 21 C TRP A 109 0.511 26.528 32.172 1.00 9.59 C ATOM 22 O TRP A 109 0.066 25.755 31.315 1.00 11.12 O ATOM 23 CB TRP A 109 2.270 27.762 30.917 1.00 7.98 C ATOM 24 CG TRP A 109 3.720 28.210 30.810 1.00 8.80 C ATOM 25 CD1 TRP A 109 4.628 27.786 29.858 1.00 9.01 C ATOM 26 CD2 TRP A 109 4.338 29.132 31.669 1.00 8.25 C ATOM 27 NE1 TRP A 109 5.822 28.434 30.088 1.00 7.68 N ATOM 28 CE2 TRP A 109 5.696 29.270 31.166 1.00 8.74 C ATOM 29 CE3 TRP A 109 3.993 29.920 32.760 1.00 10.83 C ATOM 30 CZ2 TRP A 109 6.580 30.155 31.764 1.00 11.94 C ATOM 31 CZ3 TRP A 109 4.890 30.774 33.370 1.00 13.21 C ATOM 32 CH2 TRP A 109 6.198 30.862 32.861 1.00 14.13 C ATOM 0 H TRP A 109 3.011 25.464 31.085 1.00 6.50 H new ATOM 0 HA TRP A 109 2.358 27.329 32.926 1.00 7.02 H new ATOM 0 HB2 TRP A 109 2.018 27.280 30.114 1.00 7.98 H new ATOM 0 HB3 TRP A 109 1.693 28.540 30.974 1.00 7.98 H new ATOM 0 HD1 TRP A 109 4.462 27.171 29.181 1.00 9.01 H new ATOM 0 HE1 TRP A 109 6.539 28.329 29.624 1.00 7.68 H new ATOM 0 HE3 TRP A 109 3.126 29.870 33.092 1.00 10.83 H new ATOM 0 HZ2 TRP A 109 7.435 30.265 31.415 1.00 11.94 H new ATOM 0 HZ3 TRP A 109 4.634 31.283 34.105 1.00 13.21 H new ATOM 0 HH2 TRP A 109 6.815 31.415 33.283 1.00 14.13 H new ATOM 33 N GLU A 110 -0.119 27.163 33.149 1.00 14.74 N ATOM 34 CA GLU A 110 -1.596 26.955 33.271 1.00 18.73 C ATOM 35 C GLU A 110 -2.303 27.793 32.203 1.00 19.45 C ATOM 36 O GLU A 110 -3.361 27.351 31.710 1.00 22.43 O ATOM 37 CB GLU A 110 -2.063 27.393 34.668 1.00 24.05 C ATOM 38 CG GLU A 110 -1.913 28.890 34.939 1.00 45.81 C ATOM 39 CD GLU A 110 -2.563 29.896 35.832 1.00 55.47 C ATOM 40 OE1 GLU A 110 -3.099 29.790 36.937 1.00 59.83 O ATOM 41 OE2 GLU A 110 -2.557 31.084 35.382 1.00 59.56 O ATOM 0 H GLU A 110 0.242 27.689 33.726 1.00 14.74 H new ATOM 0 HA GLU A 110 -1.809 26.017 33.146 1.00 18.73 H new ATOM 0 HB2 GLU A 110 -2.995 27.146 34.778 1.00 24.05 H new ATOM 0 HB3 GLU A 110 -1.559 26.902 35.335 1.00 24.05 H new ATOM 0 HG2 GLU A 110 -0.974 28.974 35.168 1.00 45.81 H new ATOM 0 HG3 GLU A 110 -2.026 29.280 34.058 1.00 45.81 H new ATOM 42 N GLN A 111 -1.805 28.948 31.805 1.00 16.69 N ATOM 43 CA GLN A 111 -2.390 29.827 30.800 1.00 16.34 C ATOM 44 C GLN A 111 -1.930 29.505 29.393 1.00 15.16 C ATOM 45 O GLN A 111 -0.774 28.999 29.333 1.00 16.67 O ATOM 46 CB GLN A 111 -2.168 31.310 31.083 1.00 26.36 C ATOM 47 CG GLN A 111 -3.108 31.786 32.190 1.00 40.74 C ATOM 48 CD GLN A 111 -3.116 33.301 32.100 1.00 47.80 C ATOM 49 OE1 GLN A 111 -2.735 33.941 33.079 1.00 52.05 O ATOM 50 NE2 GLN A 111 -3.550 33.712 30.900 1.00 51.29 N ATOM 0 H GLN A 111 -1.074 29.263 32.130 1.00 16.69 H new ATOM 0 HA GLN A 111 -3.342 29.652 30.860 1.00 16.34 H new ATOM 0 HB2 GLN A 111 -1.247 31.461 31.346 1.00 26.36 H new ATOM 0 HB3 GLN A 111 -2.321 31.826 30.276 1.00 26.36 H new ATOM 0 HG2 GLN A 111 -4.000 31.425 32.068 1.00 40.74 H new ATOM 0 HG3 GLN A 111 -2.799 31.490 33.061 1.00 40.74 H new ATOM 0 HE21 GLN A 111 -3.786 33.135 30.307 1.00 51.29 H new ATOM 0 HE22 GLN A 111 -3.593 34.552 30.723 1.00 51.29 H new ATOM 51 N THR A 112 -2.752 29.757 28.404 1.00 10.90 N ATOM 52 CA THR A 112 -2.339 29.457 27.012 1.00 13.27 C ATOM 53 C THR A 112 -1.896 30.752 26.318 1.00 11.60 C ATOM 54 O THR A 112 -1.394 30.652 25.188 1.00 15.45 O ATOM 55 CB THR A 112 -3.442 28.769 26.111 1.00 16.14 C ATOM 56 OG1 THR A 112 -4.544 29.738 26.212 1.00 18.25 O ATOM 57 CG2 THR A 112 -3.766 27.351 26.546 1.00 19.45 C ATOM 0 H THR A 112 -3.539 30.093 28.490 1.00 10.90 H new ATOM 0 HA THR A 112 -1.617 28.815 27.099 1.00 13.27 H new ATOM 0 HB THR A 112 -3.178 28.610 25.191 1.00 16.14 H new ATOM 0 HG1 THR A 112 -5.198 29.467 25.759 1.00 18.25 H new ATOM 0 HG21 THR A 112 -4.445 26.980 25.961 1.00 19.45 H new ATOM 0 HG22 THR A 112 -2.965 26.806 26.497 1.00 19.45 H new ATOM 0 HG23 THR A 112 -4.095 27.359 27.458 1.00 19.45 H new ATOM 58 N HIS A 113 -2.067 31.891 26.959 1.00 9.52 N ATOM 59 CA HIS A 113 -1.660 33.173 26.320 1.00 8.77 C ATOM 60 C HIS A 113 -0.530 33.686 27.182 1.00 9.78 C ATOM 61 O HIS A 113 -0.787 34.095 28.316 1.00 9.31 O ATOM 62 CB HIS A 113 -2.803 34.238 26.370 1.00 10.39 C ATOM 63 CG HIS A 113 -3.827 33.820 25.358 1.00 22.49 C ATOM 64 ND1 HIS A 113 -4.270 34.638 24.344 1.00 31.81 N ATOM 65 CD2 HIS A 113 -4.477 32.632 25.231 1.00 29.31 C ATOM 66 CE1 HIS A 113 -5.182 33.951 23.643 1.00 29.97 C ATOM 67 NE2 HIS A 113 -5.324 32.748 24.154 1.00 29.27 N ATOM 0 H HIS A 113 -2.406 31.965 27.746 1.00 9.52 H new ATOM 0 HA HIS A 113 -1.428 33.029 25.389 1.00 8.77 H new ATOM 0 HB2 HIS A 113 -3.194 34.282 27.257 1.00 10.39 H new ATOM 0 HB3 HIS A 113 -2.459 35.122 26.167 1.00 10.39 H new ATOM 0 HD2 HIS A 113 -4.369 31.882 25.771 1.00 29.31 H new ATOM 0 HE1 HIS A 113 -5.645 34.276 22.905 1.00 29.97 H new ATOM 0 HE2 HIS A 113 -5.856 32.138 23.864 1.00 29.27 H new ATOM 68 N LEU A 114 0.699 33.611 26.641 1.00 7.24 N ATOM 69 CA LEU A 114 1.864 34.035 27.448 1.00 9.39 C ATOM 70 C LEU A 114 2.573 35.244 26.885 1.00 5.96 C ATOM 71 O LEU A 114 2.422 35.505 25.689 1.00 7.54 O ATOM 72 CB LEU A 114 2.880 32.835 27.309 1.00 10.14 C ATOM 73 CG LEU A 114 2.373 31.556 27.993 1.00 14.12 C ATOM 74 CD1 LEU A 114 3.187 30.350 27.515 1.00 20.41 C ATOM 75 CD2 LEU A 114 2.576 31.748 29.482 1.00 18.66 C ATOM 0 H LEU A 114 0.877 33.332 25.847 1.00 7.24 H new ATOM 0 HA LEU A 114 1.573 34.255 28.347 1.00 9.39 H new ATOM 0 HB2 LEU A 114 3.038 32.655 26.369 1.00 10.14 H new ATOM 0 HB3 LEU A 114 3.732 33.090 27.696 1.00 10.14 H new ATOM 0 HG LEU A 114 1.440 31.395 27.782 1.00 14.12 H new ATOM 0 HD11 LEU A 114 2.862 29.547 27.951 1.00 20.41 H new ATOM 0 HD12 LEU A 114 3.094 30.257 26.554 1.00 20.41 H new ATOM 0 HD13 LEU A 114 4.122 30.482 27.737 1.00 20.41 H new ATOM 0 HD21 LEU A 114 2.267 30.959 29.955 1.00 18.66 H new ATOM 0 HD22 LEU A 114 3.518 31.886 29.665 1.00 18.66 H new ATOM 0 HD23 LEU A 114 2.072 32.521 29.780 1.00 18.66 H new ATOM 76 N THR A 115 3.364 35.909 27.712 1.00 7.67 N ATOM 77 CA THR A 115 4.134 37.057 27.222 1.00 6.10 C ATOM 78 C THR A 115 5.675 36.766 27.366 1.00 6.07 C ATOM 79 O THR A 115 6.066 35.904 28.152 1.00 5.14 O ATOM 80 CB THR A 115 3.920 38.323 28.120 1.00 4.67 C ATOM 81 OG1 THR A 115 4.119 38.032 29.519 1.00 7.29 O ATOM 82 CG2 THR A 115 2.395 38.717 27.950 1.00 7.69 C ATOM 0 H THR A 115 3.473 35.723 28.544 1.00 7.67 H new ATOM 0 HA THR A 115 3.844 37.203 26.308 1.00 6.10 H new ATOM 0 HB THR A 115 4.546 39.015 27.857 1.00 4.67 H new ATOM 0 HG1 THR A 115 3.414 38.202 29.944 1.00 7.29 H new ATOM 0 HG21 THR A 115 2.201 39.501 28.487 1.00 7.69 H new ATOM 0 HG22 THR A 115 2.213 38.912 27.017 1.00 7.69 H new ATOM 0 HG23 THR A 115 1.836 37.980 28.241 1.00 7.69 H new ATOM 83 N TYR A 116 6.322 37.542 26.533 1.00 5.57 N ATOM 84 CA TYR A 116 7.806 37.437 26.596 1.00 3.73 C ATOM 85 C TYR A 116 8.400 38.815 26.430 1.00 8.21 C ATOM 86 O TYR A 116 7.731 39.674 25.825 1.00 7.03 O ATOM 87 CB TYR A 116 8.319 36.493 25.568 1.00 5.93 C ATOM 88 CG TYR A 116 8.286 36.894 24.136 1.00 5.78 C ATOM 89 CD1 TYR A 116 7.217 36.596 23.301 1.00 10.01 C ATOM 90 CD2 TYR A 116 9.403 37.508 23.540 1.00 7.84 C ATOM 91 CE1 TYR A 116 7.188 36.887 21.932 1.00 11.37 C ATOM 92 CE2 TYR A 116 9.418 37.803 22.199 1.00 8.14 C ATOM 93 CZ TYR A 116 8.317 37.511 21.394 1.00 12.50 C ATOM 94 OH TYR A 116 8.360 37.831 20.044 1.00 14.58 O ATOM 0 H TYR A 116 5.986 38.094 25.966 1.00 5.57 H new ATOM 0 HA TYR A 116 8.070 37.081 27.459 1.00 3.73 H new ATOM 0 HB2 TYR A 116 9.240 36.288 25.793 1.00 5.93 H new ATOM 0 HB3 TYR A 116 7.816 35.668 25.652 1.00 5.93 H new ATOM 0 HD1 TYR A 116 6.475 36.178 23.674 1.00 10.01 H new ATOM 0 HD2 TYR A 116 10.143 37.717 24.063 1.00 7.84 H new ATOM 0 HE1 TYR A 116 6.452 36.675 21.405 1.00 11.37 H new ATOM 0 HE2 TYR A 116 10.170 38.202 21.824 1.00 8.14 H new ATOM 0 HH TYR A 116 7.582 37.987 19.768 1.00 14.58 H new ATOM 95 N ARG A 117 9.628 38.980 26.879 1.00 5.83 N ATOM 96 CA ARG A 117 10.308 40.273 26.721 1.00 6.36 C ATOM 97 C ARG A 117 11.819 40.006 26.467 1.00 7.87 C ATOM 98 O ARG A 117 12.297 39.089 27.184 1.00 5.24 O ATOM 99 CB ARG A 117 10.188 41.049 27.991 1.00 9.68 C ATOM 100 CG ARG A 117 10.978 42.365 27.775 1.00 10.02 C ATOM 101 CD ARG A 117 10.221 43.445 28.389 1.00 24.49 C ATOM 102 NE ARG A 117 10.821 43.757 29.630 1.00 21.65 N ATOM 103 CZ ARG A 117 11.670 44.603 30.171 1.00 20.80 C ATOM 104 NH1 ARG A 117 12.458 45.565 29.750 1.00 28.42 N ATOM 105 NH2 ARG A 117 11.614 44.465 31.520 1.00 23.25 N ATOM 0 H ARG A 117 10.090 38.372 27.275 1.00 5.83 H new ATOM 0 HA ARG A 117 9.911 40.765 25.985 1.00 6.36 H new ATOM 0 HB2 ARG A 117 9.258 41.234 28.197 1.00 9.68 H new ATOM 0 HB3 ARG A 117 10.550 40.547 28.738 1.00 9.68 H new ATOM 0 HG2 ARG A 117 11.861 42.300 28.172 1.00 10.02 H new ATOM 0 HG3 ARG A 117 11.104 42.534 26.828 1.00 10.02 H new ATOM 0 HD2 ARG A 117 10.215 44.224 27.811 1.00 24.49 H new ATOM 0 HD3 ARG A 117 9.297 43.180 28.518 1.00 24.49 H new ATOM 0 HE ARG A 117 10.536 43.212 30.231 1.00 21.65 H new ATOM 0 HH11 ARG A 117 12.489 45.760 28.913 1.00 28.42 H new ATOM 0 HH12 ARG A 117 12.943 46.000 30.311 1.00 28.42 H new ATOM 0 HH21 ARG A 117 11.079 43.891 31.872 1.00 23.25 H new ATOM 0 HH22 ARG A 117 12.114 44.952 32.023 1.00 23.25 H new ATOM 106 N ILE A 118 12.321 40.733 25.529 1.00 7.61 N ATOM 107 CA ILE A 118 13.799 40.611 25.240 1.00 6.58 C ATOM 108 C ILE A 118 14.325 41.745 26.047 1.00 7.46 C ATOM 109 O ILE A 118 14.144 42.950 25.736 1.00 9.03 O ATOM 110 CB ILE A 118 14.021 40.694 23.713 1.00 7.34 C ATOM 111 CG1 ILE A 118 13.308 39.553 22.992 1.00 8.39 C ATOM 112 CG2 ILE A 118 15.596 40.647 23.519 1.00 11.75 C ATOM 113 CD1 ILE A 118 13.460 39.709 21.476 1.00 9.72 C ATOM 0 H ILE A 118 11.887 41.293 25.041 1.00 7.61 H new ATOM 0 HA ILE A 118 14.244 39.782 25.475 1.00 6.58 H new ATOM 0 HB ILE A 118 13.649 41.504 23.329 1.00 7.34 H new ATOM 0 HG12 ILE A 118 13.677 38.702 23.275 1.00 8.39 H new ATOM 0 HG13 ILE A 118 12.368 39.548 23.231 1.00 8.39 H new ATOM 0 HG21 ILE A 118 15.807 40.696 22.574 1.00 11.75 H new ATOM 0 HG22 ILE A 118 16.002 41.398 23.980 1.00 11.75 H new ATOM 0 HG23 ILE A 118 15.943 39.818 23.885 1.00 11.75 H new ATOM 0 HD11 ILE A 118 13.004 38.980 21.028 1.00 9.72 H new ATOM 0 HD12 ILE A 118 13.072 40.553 21.197 1.00 9.72 H new ATOM 0 HD13 ILE A 118 14.401 39.694 21.242 1.00 9.72 H new ATOM 114 N GLU A 119 15.083 41.416 27.116 1.00 6.96 N ATOM 115 CA GLU A 119 15.663 42.383 28.056 1.00 9.74 C ATOM 116 C GLU A 119 16.807 43.161 27.483 1.00 10.94 C ATOM 117 O GLU A 119 17.001 44.385 27.746 1.00 13.98 O ATOM 118 CB GLU A 119 16.175 41.703 29.355 1.00 11.16 C ATOM 119 CG GLU A 119 15.027 41.019 30.103 1.00 13.97 C ATOM 120 CD GLU A 119 15.470 40.556 31.453 1.00 18.83 C ATOM 121 OE1 GLU A 119 15.674 41.484 32.239 1.00 20.43 O ATOM 122 OE2 GLU A 119 15.633 39.396 31.730 1.00 15.56 O ATOM 0 H GLU A 119 15.274 40.601 27.312 1.00 6.96 H new ATOM 0 HA GLU A 119 14.931 42.988 28.252 1.00 9.74 H new ATOM 0 HB2 GLU A 119 16.857 41.050 29.135 1.00 11.16 H new ATOM 0 HB3 GLU A 119 16.591 42.365 29.929 1.00 11.16 H new ATOM 0 HG2 GLU A 119 14.284 41.636 30.196 1.00 13.97 H new ATOM 0 HG3 GLU A 119 14.705 40.263 29.587 1.00 13.97 H new ATOM 123 N ASN A 120 17.654 42.514 26.692 1.00 10.97 N ATOM 124 CA ASN A 120 18.841 43.156 26.102 1.00 8.72 C ATOM 125 C ASN A 120 19.190 42.398 24.834 1.00 8.78 C ATOM 126 O ASN A 120 18.583 41.365 24.525 1.00 11.11 O ATOM 127 CB ASN A 120 19.955 43.244 27.140 1.00 7.80 C ATOM 128 CG ASN A 120 20.595 41.933 27.445 1.00 10.81 C ATOM 129 OD1 ASN A 120 20.047 40.864 27.394 1.00 11.26 O ATOM 130 ND2 ASN A 120 21.883 41.948 27.764 1.00 14.35 N ATOM 0 H ASN A 120 17.563 41.686 26.477 1.00 10.97 H new ATOM 0 HA ASN A 120 18.679 44.077 25.844 1.00 8.72 H new ATOM 0 HB2 ASN A 120 20.634 43.860 26.823 1.00 7.80 H new ATOM 0 HB3 ASN A 120 19.594 43.617 27.959 1.00 7.80 H new ATOM 0 HD21 ASN A 120 22.295 41.210 27.925 1.00 14.35 H new ATOM 0 HD22 ASN A 120 22.306 42.695 27.810 1.00 14.35 H new ATOM 131 N TYR A 121 20.231 42.981 24.162 1.00 8.92 N ATOM 132 CA TYR A 121 20.599 42.349 22.894 1.00 9.92 C ATOM 133 C TYR A 121 22.098 42.124 22.676 1.00 15.74 C ATOM 134 O TYR A 121 22.855 42.967 23.193 1.00 20.49 O ATOM 135 CB TYR A 121 20.222 43.422 21.829 1.00 12.44 C ATOM 136 CG TYR A 121 18.733 43.525 21.607 1.00 11.33 C ATOM 137 CD1 TYR A 121 17.906 44.275 22.445 1.00 15.01 C ATOM 138 CD2 TYR A 121 18.131 42.850 20.527 1.00 12.29 C ATOM 139 CE1 TYR A 121 16.522 44.382 22.223 1.00 16.22 C ATOM 140 CE2 TYR A 121 16.741 42.948 20.319 1.00 11.19 C ATOM 141 CZ TYR A 121 15.956 43.712 21.164 1.00 14.49 C ATOM 142 OH TYR A 121 14.596 43.815 20.985 1.00 17.10 O ATOM 0 H TYR A 121 20.684 43.670 24.405 1.00 8.92 H new ATOM 0 HA TYR A 121 20.166 41.482 22.858 1.00 9.92 H new ATOM 0 HB2 TYR A 121 20.564 44.285 22.110 1.00 12.44 H new ATOM 0 HB3 TYR A 121 20.656 43.205 20.989 1.00 12.44 H new ATOM 0 HD1 TYR A 121 18.282 44.717 23.172 1.00 15.01 H new ATOM 0 HD2 TYR A 121 18.652 42.339 19.950 1.00 12.29 H new ATOM 0 HE1 TYR A 121 15.995 44.901 22.787 1.00 16.22 H new ATOM 0 HE2 TYR A 121 16.348 42.495 19.608 1.00 11.19 H new ATOM 0 HH TYR A 121 14.301 43.099 20.661 1.00 17.10 H new ATOM 143 N THR A 122 22.416 41.089 21.929 1.00 13.89 N ATOM 144 CA THR A 122 23.867 40.885 21.672 1.00 10.29 C ATOM 145 C THR A 122 24.233 41.841 20.533 1.00 15.49 C ATOM 146 O THR A 122 23.436 41.982 19.586 1.00 14.22 O ATOM 147 CB THR A 122 24.021 39.417 21.100 1.00 9.28 C ATOM 148 OG1 THR A 122 25.440 39.385 20.670 1.00 12.79 O ATOM 149 CG2 THR A 122 23.127 39.131 19.893 1.00 9.18 C ATOM 0 H THR A 122 21.873 40.522 21.577 1.00 13.89 H new ATOM 0 HA THR A 122 24.410 41.026 22.464 1.00 10.29 H new ATOM 0 HB THR A 122 23.768 38.755 21.762 1.00 9.28 H new ATOM 0 HG1 THR A 122 25.861 38.825 21.134 1.00 12.79 H new ATOM 0 HG21 THR A 122 23.269 38.220 19.593 1.00 9.18 H new ATOM 0 HG22 THR A 122 22.197 39.247 20.144 1.00 9.18 H new ATOM 0 HG23 THR A 122 23.346 39.745 19.175 1.00 9.18 H new ATOM 150 N PRO A 123 25.410 42.431 20.623 1.00 15.29 N ATOM 151 CA PRO A 123 25.849 43.357 19.558 1.00 13.80 C ATOM 152 C PRO A 123 26.262 42.621 18.318 1.00 13.87 C ATOM 153 O PRO A 123 26.611 43.264 17.316 1.00 17.05 O ATOM 154 CB PRO A 123 27.054 44.147 20.112 1.00 15.89 C ATOM 155 CG PRO A 123 27.495 43.290 21.247 1.00 15.52 C ATOM 156 CD PRO A 123 26.376 42.333 21.718 1.00 17.58 C ATOM 0 HA PRO A 123 25.115 43.942 19.314 1.00 13.80 H new ATOM 0 HB2 PRO A 123 27.752 44.256 19.448 1.00 15.89 H new ATOM 0 HB3 PRO A 123 26.801 45.036 20.406 1.00 15.89 H new ATOM 0 HG2 PRO A 123 28.270 42.773 20.978 1.00 15.52 H new ATOM 0 HG3 PRO A 123 27.772 43.852 21.987 1.00 15.52 H new ATOM 0 HD2 PRO A 123 26.700 41.426 21.836 1.00 17.58 H new ATOM 0 HD3 PRO A 123 25.994 42.611 22.565 1.00 17.58 H new ATOM 157 N ASP A 124 26.268 41.274 18.275 1.00 10.55 N ATOM 158 CA ASP A 124 26.703 40.493 17.124 1.00 10.49 C ATOM 159 C ASP A 124 25.781 40.577 15.914 1.00 11.72 C ATOM 160 O ASP A 124 26.208 40.257 14.784 1.00 12.22 O ATOM 161 CB ASP A 124 26.851 39.014 17.546 1.00 11.75 C ATOM 162 CG ASP A 124 28.027 38.674 18.404 1.00 19.98 C ATOM 163 OD1 ASP A 124 28.918 39.484 18.653 1.00 23.27 O ATOM 164 OD2 ASP A 124 28.004 37.520 18.847 1.00 14.09 O ATOM 0 H ASP A 124 26.011 40.788 18.936 1.00 10.55 H new ATOM 0 HA ASP A 124 27.549 40.876 16.843 1.00 10.49 H new ATOM 0 HB2 ASP A 124 26.046 38.752 18.019 1.00 11.75 H new ATOM 0 HB3 ASP A 124 26.896 38.473 16.742 1.00 11.75 H new ATOM 165 N LEU A 125 24.544 40.931 16.151 1.00 10.27 N ATOM 166 CA LEU A 125 23.537 41.008 15.102 1.00 11.89 C ATOM 167 C LEU A 125 22.727 42.297 15.254 1.00 13.09 C ATOM 168 O LEU A 125 22.624 42.798 16.388 1.00 13.90 O ATOM 169 CB LEU A 125 22.515 39.855 15.353 1.00 10.97 C ATOM 170 CG LEU A 125 23.073 38.461 15.088 1.00 12.87 C ATOM 171 CD1 LEU A 125 22.005 37.513 15.608 1.00 16.12 C ATOM 172 CD2 LEU A 125 23.273 38.240 13.603 1.00 16.21 C ATOM 0 H LEU A 125 24.251 41.138 16.933 1.00 10.27 H new ATOM 0 HA LEU A 125 23.972 40.963 14.236 1.00 11.89 H new ATOM 0 HB2 LEU A 125 22.209 39.901 16.272 1.00 10.97 H new ATOM 0 HB3 LEU A 125 21.739 39.995 14.788 1.00 10.97 H new ATOM 0 HG LEU A 125 23.934 38.328 15.515 1.00 12.87 H new ATOM 0 HD11 LEU A 125 22.292 36.596 15.472 1.00 16.12 H new ATOM 0 HD12 LEU A 125 21.865 37.671 16.555 1.00 16.12 H new ATOM 0 HD13 LEU A 125 21.175 37.666 15.129 1.00 16.12 H new ATOM 0 HD21 LEU A 125 23.628 37.350 13.453 1.00 16.21 H new ATOM 0 HD22 LEU A 125 22.423 38.330 13.145 1.00 16.21 H new ATOM 0 HD23 LEU A 125 23.897 38.898 13.259 1.00 16.21 H new ATOM 173 N PRO A 126 22.106 42.799 14.193 1.00 14.10 N ATOM 174 CA PRO A 126 21.271 44.014 14.260 1.00 13.96 C ATOM 175 C PRO A 126 20.064 43.620 15.134 1.00 14.06 C ATOM 176 O PRO A 126 19.645 42.427 15.128 1.00 14.16 O ATOM 177 CB PRO A 126 20.789 44.132 12.804 1.00 15.80 C ATOM 178 CG PRO A 126 21.879 43.501 11.994 1.00 16.90 C ATOM 179 CD PRO A 126 22.203 42.251 12.825 1.00 16.19 C ATOM 0 HA PRO A 126 21.696 44.817 14.600 1.00 13.96 H new ATOM 0 HB2 PRO A 126 19.943 43.675 12.674 1.00 15.80 H new ATOM 0 HB3 PRO A 126 20.653 45.059 12.551 1.00 15.80 H new ATOM 0 HG2 PRO A 126 21.583 43.276 11.098 1.00 16.90 H new ATOM 0 HG3 PRO A 126 22.648 44.085 11.900 1.00 16.90 H new ATOM 0 HD2 PRO A 126 21.570 41.532 12.671 1.00 16.19 H new ATOM 0 HD3 PRO A 126 23.086 41.899 12.631 1.00 16.19 H new ATOM 180 N ARG A 127 19.520 44.522 15.881 1.00 12.78 N ATOM 181 CA ARG A 127 18.367 44.304 16.770 1.00 13.72 C ATOM 182 C ARG A 127 17.230 43.614 16.058 1.00 13.24 C ATOM 183 O ARG A 127 16.667 42.621 16.624 1.00 13.62 O ATOM 184 CB ARG A 127 17.901 45.585 17.479 1.00 17.08 C ATOM 185 CG ARG A 127 19.074 46.068 18.347 1.00 33.03 C ATOM 186 CD ARG A 127 18.699 47.098 19.352 1.00 44.65 C ATOM 187 NE ARG A 127 17.255 47.086 19.593 1.00 54.15 N ATOM 188 CZ ARG A 127 16.695 47.841 20.548 1.00 60.18 C ATOM 189 NH1 ARG A 127 17.515 48.572 21.314 1.00 64.12 N ATOM 190 NH2 ARG A 127 15.376 47.858 20.736 1.00 61.98 N ATOM 0 H ARG A 127 19.809 45.332 15.904 1.00 12.78 H new ATOM 0 HA ARG A 127 18.678 43.708 17.469 1.00 13.72 H new ATOM 0 HB2 ARG A 127 17.650 46.263 16.833 1.00 17.08 H new ATOM 0 HB3 ARG A 127 17.119 45.410 18.025 1.00 17.08 H new ATOM 0 HG2 ARG A 127 19.459 45.306 18.807 1.00 33.03 H new ATOM 0 HG3 ARG A 127 19.764 46.429 17.769 1.00 33.03 H new ATOM 0 HD2 ARG A 127 19.171 46.933 20.183 1.00 44.65 H new ATOM 0 HD3 ARG A 127 18.972 47.975 19.040 1.00 44.65 H new ATOM 0 HE ARG A 127 16.754 46.582 19.109 1.00 54.15 H new ATOM 0 HH11 ARG A 127 18.364 48.545 21.183 1.00 64.12 H new ATOM 0 HH12 ARG A 127 17.192 49.069 21.937 1.00 64.12 H new ATOM 0 HH21 ARG A 127 14.865 47.377 20.239 1.00 61.98 H new ATOM 0 HH22 ARG A 127 15.036 48.349 21.355 1.00 61.98 H new ATOM 191 N ALA A 128 16.884 44.068 14.851 1.00 12.71 N ATOM 192 CA ALA A 128 15.807 43.403 14.119 1.00 13.01 C ATOM 193 C ALA A 128 16.045 41.904 13.912 1.00 12.69 C ATOM 194 O ALA A 128 15.067 41.106 13.916 1.00 15.92 O ATOM 195 CB ALA A 128 15.514 44.014 12.755 1.00 14.32 C ATOM 0 H ALA A 128 17.247 44.737 14.450 1.00 12.71 H new ATOM 0 HA ALA A 128 15.041 43.537 14.699 1.00 13.01 H new ATOM 0 HB1 ALA A 128 14.793 43.525 12.329 1.00 14.32 H new ATOM 0 HB2 ALA A 128 15.254 44.942 12.865 1.00 14.32 H new ATOM 0 HB3 ALA A 128 16.309 43.965 12.201 1.00 14.32 H new ATOM 196 N ASP A 129 17.296 41.485 13.709 1.00 11.01 N ATOM 197 CA ASP A 129 17.640 40.066 13.497 1.00 11.24 C ATOM 198 C ASP A 129 17.432 39.256 14.795 1.00 9.00 C ATOM 199 O ASP A 129 16.976 38.097 14.654 1.00 10.63 O ATOM 200 CB ASP A 129 19.018 39.868 12.892 1.00 15.96 C ATOM 201 CG ASP A 129 19.095 40.304 11.445 1.00 23.89 C ATOM 202 OD1 ASP A 129 18.051 40.612 10.838 1.00 26.00 O ATOM 203 OD2 ASP A 129 20.151 40.375 10.819 1.00 30.94 O ATOM 0 H ASP A 129 17.974 42.014 13.690 1.00 11.01 H new ATOM 0 HA ASP A 129 17.026 39.717 12.831 1.00 11.24 H new ATOM 0 HB2 ASP A 129 19.668 40.367 13.410 1.00 15.96 H new ATOM 0 HB3 ASP A 129 19.263 38.932 12.956 1.00 15.96 H new ATOM 204 N VAL A 130 17.712 39.874 15.910 1.00 8.10 N ATOM 205 CA VAL A 130 17.497 39.206 17.214 1.00 6.69 C ATOM 206 C VAL A 130 15.972 39.064 17.406 1.00 6.98 C ATOM 207 O VAL A 130 15.536 37.968 17.741 1.00 8.47 O ATOM 208 CB VAL A 130 18.224 39.960 18.330 1.00 6.18 C ATOM 209 CG1 VAL A 130 17.812 39.277 19.652 1.00 7.98 C ATOM 210 CG2 VAL A 130 19.726 39.994 18.222 1.00 9.72 C ATOM 0 H VAL A 130 18.025 40.673 15.959 1.00 8.10 H new ATOM 0 HA VAL A 130 17.881 38.316 17.242 1.00 6.69 H new ATOM 0 HB VAL A 130 17.963 40.893 18.273 1.00 6.18 H new ATOM 0 HG11 VAL A 130 18.249 39.721 20.396 1.00 7.98 H new ATOM 0 HG12 VAL A 130 16.850 39.336 19.761 1.00 7.98 H new ATOM 0 HG13 VAL A 130 18.078 38.344 19.631 1.00 7.98 H new ATOM 0 HG21 VAL A 130 20.093 40.491 18.970 1.00 9.72 H new ATOM 0 HG22 VAL A 130 20.072 39.088 18.235 1.00 9.72 H new ATOM 0 HG23 VAL A 130 19.981 40.425 17.391 1.00 9.72 H new ATOM 211 N ASP A 131 15.276 40.191 17.208 1.00 7.54 N ATOM 212 CA ASP A 131 13.805 40.058 17.400 1.00 7.88 C ATOM 213 C ASP A 131 13.234 38.991 16.485 1.00 9.06 C ATOM 214 O ASP A 131 12.358 38.212 16.920 1.00 9.42 O ATOM 215 CB ASP A 131 13.195 41.404 16.986 1.00 8.92 C ATOM 216 CG ASP A 131 13.368 42.415 18.091 1.00 12.45 C ATOM 217 OD1 ASP A 131 13.710 42.234 19.255 1.00 12.40 O ATOM 218 OD2 ASP A 131 13.148 43.662 17.865 1.00 20.83 O ATOM 0 H ASP A 131 15.582 40.964 16.987 1.00 7.54 H new ATOM 0 HA ASP A 131 13.609 39.817 18.319 1.00 7.88 H new ATOM 0 HB2 ASP A 131 13.621 41.724 16.176 1.00 8.92 H new ATOM 0 HB3 ASP A 131 12.253 41.292 16.786 1.00 8.92 H new ATOM 219 N HIS A 132 13.658 38.961 15.225 1.00 7.71 N ATOM 220 CA HIS A 132 13.138 37.996 14.254 1.00 11.30 C ATOM 221 C HIS A 132 13.400 36.555 14.614 1.00 10.02 C ATOM 222 O HIS A 132 12.541 35.632 14.590 1.00 11.21 O ATOM 223 CB HIS A 132 13.670 38.392 12.864 1.00 17.38 C ATOM 224 CG HIS A 132 12.842 37.677 11.845 1.00 29.03 C ATOM 225 ND1 HIS A 132 13.300 36.660 11.053 1.00 33.15 N ATOM 226 CD2 HIS A 132 11.529 37.888 11.554 1.00 31.98 C ATOM 227 CE1 HIS A 132 12.305 36.259 10.274 1.00 35.35 C ATOM 228 NE2 HIS A 132 11.231 36.980 10.566 1.00 39.85 N ATOM 0 H HIS A 132 14.252 39.496 14.908 1.00 7.71 H new ATOM 0 HA HIS A 132 12.169 38.040 14.255 1.00 11.30 H new ATOM 0 HB2 HIS A 132 13.613 39.352 12.738 1.00 17.38 H new ATOM 0 HB3 HIS A 132 14.605 38.150 12.775 1.00 17.38 H new ATOM 0 HD2 HIS A 132 10.957 38.512 11.940 1.00 31.98 H new ATOM 0 HE1 HIS A 132 12.352 35.587 9.633 1.00 35.35 H new ATOM 0 HE2 HIS A 132 10.461 36.892 10.192 1.00 39.85 H new ATOM 229 N ALA A 133 14.647 36.337 15.014 1.00 9.02 N ATOM 230 CA ALA A 133 15.060 34.988 15.437 1.00 8.34 C ATOM 231 C ALA A 133 14.214 34.498 16.628 1.00 6.23 C ATOM 232 O ALA A 133 13.896 33.297 16.639 1.00 7.12 O ATOM 233 CB ALA A 133 16.544 34.946 15.791 1.00 7.49 C ATOM 0 H ALA A 133 15.263 36.937 15.051 1.00 9.02 H new ATOM 0 HA ALA A 133 14.911 34.392 14.687 1.00 8.34 H new ATOM 0 HB1 ALA A 133 16.786 34.048 16.065 1.00 7.49 H new ATOM 0 HB2 ALA A 133 17.069 35.200 15.016 1.00 7.49 H new ATOM 0 HB3 ALA A 133 16.721 35.564 16.517 1.00 7.49 H new ATOM 234 N ILE A 134 13.925 35.375 17.551 1.00 7.62 N ATOM 235 CA ILE A 134 13.115 34.993 18.704 1.00 7.52 C ATOM 236 C ILE A 134 11.617 34.806 18.389 1.00 7.84 C ATOM 237 O ILE A 134 11.030 33.822 18.802 1.00 6.10 O ATOM 238 CB ILE A 134 13.267 35.968 19.913 1.00 8.08 C ATOM 239 CG1 ILE A 134 14.741 36.025 20.368 1.00 12.81 C ATOM 240 CG2 ILE A 134 12.293 35.654 21.049 1.00 12.14 C ATOM 241 CD1 ILE A 134 15.408 34.686 20.661 1.00 14.56 C ATOM 0 H ILE A 134 14.180 36.196 17.542 1.00 7.62 H new ATOM 0 HA ILE A 134 13.476 34.128 18.952 1.00 7.52 H new ATOM 0 HB ILE A 134 13.020 36.858 19.618 1.00 8.08 H new ATOM 0 HG12 ILE A 134 15.255 36.477 19.681 1.00 12.81 H new ATOM 0 HG13 ILE A 134 14.792 36.572 21.167 1.00 12.81 H new ATOM 0 HG21 ILE A 134 12.426 36.285 21.774 1.00 12.14 H new ATOM 0 HG22 ILE A 134 11.382 35.724 20.723 1.00 12.14 H new ATOM 0 HG23 ILE A 134 12.452 34.753 21.372 1.00 12.14 H new ATOM 0 HD11 ILE A 134 16.326 34.835 20.937 1.00 14.56 H new ATOM 0 HD12 ILE A 134 14.927 34.233 21.371 1.00 14.56 H new ATOM 0 HD13 ILE A 134 15.396 34.137 19.862 1.00 14.56 H new ATOM 242 N GLU A 135 11.157 35.770 17.609 1.00 7.13 N ATOM 243 CA GLU A 135 9.683 35.659 17.252 1.00 7.71 C ATOM 244 C GLU A 135 9.525 34.399 16.429 1.00 7.80 C ATOM 245 O GLU A 135 8.521 33.661 16.680 1.00 10.60 O ATOM 246 CB GLU A 135 9.363 36.890 16.437 1.00 13.07 C ATOM 247 CG GLU A 135 7.911 36.945 15.958 1.00 30.04 C ATOM 248 CD GLU A 135 7.600 38.184 15.141 1.00 39.01 C ATOM 249 OE1 GLU A 135 8.486 39.072 15.253 1.00 42.81 O ATOM 250 OE2 GLU A 135 6.573 38.210 14.477 1.00 40.91 O ATOM 0 H GLU A 135 11.595 36.438 17.290 1.00 7.13 H new ATOM 0 HA GLU A 135 9.092 35.609 18.020 1.00 7.71 H new ATOM 0 HB2 GLU A 135 9.551 37.679 16.969 1.00 13.07 H new ATOM 0 HB3 GLU A 135 9.952 36.921 15.667 1.00 13.07 H new ATOM 0 HG2 GLU A 135 7.722 36.157 15.425 1.00 30.04 H new ATOM 0 HG3 GLU A 135 7.321 36.915 16.727 1.00 30.04 H new ATOM 251 N LYS A 136 10.410 34.065 15.448 1.00 5.41 N ATOM 252 CA LYS A 136 10.183 32.800 14.708 1.00 5.76 C ATOM 253 C LYS A 136 10.305 31.538 15.524 1.00 7.38 C ATOM 254 O LYS A 136 9.713 30.518 15.208 1.00 8.92 O ATOM 255 CB LYS A 136 11.194 32.832 13.600 1.00 13.77 C ATOM 256 CG LYS A 136 10.766 32.340 12.233 1.00 30.11 C ATOM 257 CD LYS A 136 11.346 33.265 11.161 1.00 39.36 C ATOM 258 CE LYS A 136 12.722 32.821 10.700 1.00 44.76 C ATOM 259 NZ LYS A 136 13.835 33.479 11.456 1.00 50.99 N ATOM 0 H LYS A 136 11.098 34.524 15.213 1.00 5.41 H new ATOM 0 HA LYS A 136 9.263 32.762 14.402 1.00 5.76 H new ATOM 0 HB2 LYS A 136 11.501 33.747 13.504 1.00 13.77 H new ATOM 0 HB3 LYS A 136 11.958 32.305 13.880 1.00 13.77 H new ATOM 0 HG2 LYS A 136 11.075 31.431 12.093 1.00 30.11 H new ATOM 0 HG3 LYS A 136 9.798 32.323 12.172 1.00 30.11 H new ATOM 0 HD2 LYS A 136 10.745 33.291 10.400 1.00 39.36 H new ATOM 0 HD3 LYS A 136 11.400 34.168 11.511 1.00 39.36 H new ATOM 0 HE2 LYS A 136 12.796 31.859 10.799 1.00 44.76 H new ATOM 0 HE3 LYS A 136 12.820 33.017 9.755 1.00 44.76 H new ATOM 0 HZ1 LYS A 136 14.601 33.362 11.019 1.00 50.99 H new ATOM 0 HZ2 LYS A 136 13.668 34.350 11.532 1.00 50.99 H new ATOM 0 HZ3 LYS A 136 13.898 33.117 12.267 1.00 50.99 H new ATOM 260 N ALA A 137 11.120 31.588 16.584 1.00 6.80 N ATOM 261 CA ALA A 137 11.310 30.413 17.441 1.00 6.67 C ATOM 262 C ALA A 137 9.979 30.186 18.159 1.00 7.80 C ATOM 263 O ALA A 137 9.503 29.042 18.313 1.00 7.28 O ATOM 264 CB ALA A 137 12.481 30.673 18.397 1.00 6.83 C ATOM 0 H ALA A 137 11.566 32.284 16.821 1.00 6.80 H new ATOM 0 HA ALA A 137 11.540 29.612 16.945 1.00 6.67 H new ATOM 0 HB1 ALA A 137 12.612 29.899 18.967 1.00 6.83 H new ATOM 0 HB2 ALA A 137 13.288 30.836 17.884 1.00 6.83 H new ATOM 0 HB3 ALA A 137 12.285 31.448 18.946 1.00 6.83 H new ATOM 265 N PHE A 138 9.352 31.230 18.648 1.00 6.72 N ATOM 266 CA PHE A 138 8.035 31.079 19.350 1.00 7.44 C ATOM 267 C PHE A 138 6.999 30.562 18.332 1.00 7.18 C ATOM 268 O PHE A 138 6.207 29.711 18.797 1.00 9.43 O ATOM 269 CB PHE A 138 7.563 32.429 19.905 1.00 6.11 C ATOM 270 CG PHE A 138 8.092 32.684 21.303 1.00 6.21 C ATOM 271 CD1 PHE A 138 7.744 31.882 22.375 1.00 9.37 C ATOM 272 CD2 PHE A 138 9.009 33.740 21.495 1.00 6.27 C ATOM 273 CE1 PHE A 138 8.233 32.124 23.650 1.00 9.90 C ATOM 274 CE2 PHE A 138 9.512 33.993 22.783 1.00 6.05 C ATOM 275 CZ PHE A 138 9.147 33.177 23.872 1.00 6.94 C ATOM 0 H PHE A 138 9.644 32.037 18.600 1.00 6.72 H new ATOM 0 HA PHE A 138 8.133 30.457 20.088 1.00 7.44 H new ATOM 0 HB2 PHE A 138 7.855 33.141 19.314 1.00 6.11 H new ATOM 0 HB3 PHE A 138 6.593 32.451 19.918 1.00 6.11 H new ATOM 0 HD1 PHE A 138 7.169 31.164 22.238 1.00 9.37 H new ATOM 0 HD2 PHE A 138 9.278 34.264 20.775 1.00 6.27 H new ATOM 0 HE1 PHE A 138 7.958 31.591 24.361 1.00 9.90 H new ATOM 0 HE2 PHE A 138 10.092 34.707 22.918 1.00 6.05 H new ATOM 0 HZ PHE A 138 9.500 33.329 24.719 1.00 6.94 H new ATOM 276 N GLN A 139 7.101 31.105 17.111 1.00 7.64 N ATOM 277 CA GLN A 139 6.116 30.659 16.095 1.00 7.74 C ATOM 278 C GLN A 139 6.174 29.189 15.861 1.00 8.89 C ATOM 279 O GLN A 139 5.144 28.547 15.608 1.00 11.88 O ATOM 280 CB GLN A 139 6.260 31.442 14.796 1.00 11.73 C ATOM 281 CG GLN A 139 5.185 32.464 14.480 1.00 33.27 C ATOM 282 CD GLN A 139 5.694 33.739 13.829 1.00 39.15 C ATOM 283 OE1 GLN A 139 5.185 34.829 14.134 1.00 45.11 O ATOM 284 NE2 GLN A 139 6.698 33.680 12.941 1.00 42.16 N ATOM 0 H GLN A 139 7.681 31.687 16.858 1.00 7.64 H new ATOM 0 HA GLN A 139 5.235 30.849 16.454 1.00 7.74 H new ATOM 0 HB2 GLN A 139 7.115 31.901 14.815 1.00 11.73 H new ATOM 0 HB3 GLN A 139 6.295 30.806 14.064 1.00 11.73 H new ATOM 0 HG2 GLN A 139 4.529 32.055 13.894 1.00 33.27 H new ATOM 0 HG3 GLN A 139 4.725 32.696 15.302 1.00 33.27 H new ATOM 0 HE21 GLN A 139 7.046 32.921 12.735 1.00 42.16 H new ATOM 0 HE22 GLN A 139 6.994 34.401 12.578 1.00 42.16 H new ATOM 285 N LEU A 140 7.349 28.551 15.932 1.00 6.98 N ATOM 286 CA LEU A 140 7.471 27.117 15.705 1.00 7.72 C ATOM 287 C LEU A 140 6.583 26.337 16.676 1.00 9.61 C ATOM 288 O LEU A 140 5.915 25.381 16.281 1.00 9.23 O ATOM 289 CB LEU A 140 8.954 26.638 15.894 1.00 7.75 C ATOM 290 CG LEU A 140 9.892 27.110 14.761 1.00 11.09 C ATOM 291 CD1 LEU A 140 11.272 26.698 15.281 1.00 13.77 C ATOM 292 CD2 LEU A 140 9.496 26.432 13.473 1.00 14.40 C ATOM 0 H LEU A 140 8.093 28.942 16.113 1.00 6.98 H new ATOM 0 HA LEU A 140 7.190 26.947 14.792 1.00 7.72 H new ATOM 0 HB2 LEU A 140 9.289 26.968 16.742 1.00 7.75 H new ATOM 0 HB3 LEU A 140 8.972 25.669 15.939 1.00 7.75 H new ATOM 0 HG LEU A 140 9.863 28.058 14.558 1.00 11.09 H new ATOM 0 HD11 LEU A 140 11.950 26.951 14.635 1.00 13.77 H new ATOM 0 HD12 LEU A 140 11.447 27.144 16.125 1.00 13.77 H new ATOM 0 HD13 LEU A 140 11.295 25.737 15.413 1.00 13.77 H new ATOM 0 HD21 LEU A 140 10.083 26.726 12.759 1.00 14.40 H new ATOM 0 HD22 LEU A 140 9.570 25.470 13.577 1.00 14.40 H new ATOM 0 HD23 LEU A 140 8.580 26.663 13.254 1.00 14.40 H new ATOM 293 N TRP A 141 6.595 26.738 17.917 1.00 7.23 N ATOM 294 CA TRP A 141 5.831 26.068 18.971 1.00 6.03 C ATOM 295 C TRP A 141 4.356 26.483 18.907 1.00 7.20 C ATOM 296 O TRP A 141 3.559 25.547 19.196 1.00 9.61 O ATOM 297 CB TRP A 141 6.496 26.327 20.340 1.00 6.87 C ATOM 298 CG TRP A 141 7.918 25.916 20.446 1.00 6.66 C ATOM 299 CD1 TRP A 141 9.034 26.703 20.526 1.00 7.66 C ATOM 300 CD2 TRP A 141 8.379 24.570 20.528 1.00 4.30 C ATOM 301 NE1 TRP A 141 10.146 25.903 20.646 1.00 5.02 N ATOM 302 CE2 TRP A 141 9.803 24.601 20.653 1.00 5.11 C ATOM 303 CE3 TRP A 141 7.823 23.292 20.515 1.00 5.55 C ATOM 304 CZ2 TRP A 141 10.579 23.458 20.756 1.00 7.57 C ATOM 305 CZ3 TRP A 141 8.565 22.146 20.615 1.00 9.70 C ATOM 306 CH2 TRP A 141 9.985 22.223 20.732 1.00 7.10 C ATOM 0 H TRP A 141 7.048 27.415 18.192 1.00 7.23 H new ATOM 0 HA TRP A 141 5.841 25.107 18.837 1.00 6.03 H new ATOM 0 HB2 TRP A 141 6.433 27.274 20.539 1.00 6.87 H new ATOM 0 HB3 TRP A 141 5.989 25.860 21.022 1.00 6.87 H new ATOM 0 HD1 TRP A 141 9.040 27.633 20.503 1.00 7.66 H new ATOM 0 HE1 TRP A 141 10.952 26.195 20.708 1.00 5.02 H new ATOM 0 HE3 TRP A 141 6.900 23.214 20.434 1.00 5.55 H new ATOM 0 HZ2 TRP A 141 11.502 23.529 20.841 1.00 7.57 H new ATOM 0 HZ3 TRP A 141 8.143 21.317 20.607 1.00 9.70 H new ATOM 0 HH2 TRP A 141 10.498 21.450 20.791 1.00 7.10 H new ATOM 307 N SER A 142 4.108 27.745 18.654 1.00 9.03 N ATOM 308 CA SER A 142 2.652 28.078 18.596 1.00 11.00 C ATOM 309 C SER A 142 2.055 27.456 17.354 1.00 11.24 C ATOM 310 O SER A 142 0.802 27.241 17.436 1.00 12.38 O ATOM 311 CB SER A 142 2.488 29.620 18.615 1.00 12.44 C ATOM 312 OG SER A 142 3.055 30.161 17.442 1.00 17.69 O ATOM 0 H SER A 142 4.674 28.379 18.523 1.00 9.03 H new ATOM 0 HA SER A 142 2.180 27.719 19.364 1.00 11.00 H new ATOM 0 HB2 SER A 142 1.549 29.856 18.672 1.00 12.44 H new ATOM 0 HB3 SER A 142 2.922 29.993 19.399 1.00 12.44 H new ATOM 0 HG SER A 142 2.967 30.996 17.448 1.00 17.69 H new ATOM 313 N ASN A 143 2.682 27.115 16.247 1.00 9.40 N ATOM 314 CA ASN A 143 2.004 26.515 15.083 1.00 9.68 C ATOM 315 C ASN A 143 1.443 25.142 15.456 1.00 11.70 C ATOM 316 O ASN A 143 0.499 24.783 14.689 1.00 15.26 O ATOM 317 CB ASN A 143 2.992 26.298 13.930 1.00 14.13 C ATOM 318 CG ASN A 143 3.500 27.485 13.164 1.00 19.48 C ATOM 319 OD1 ASN A 143 2.859 28.541 13.186 1.00 27.76 O ATOM 320 ND2 ASN A 143 4.679 27.310 12.531 1.00 26.75 N ATOM 0 H ASN A 143 3.528 27.222 16.135 1.00 9.40 H new ATOM 0 HA ASN A 143 1.297 27.122 14.813 1.00 9.68 H new ATOM 0 HB2 ASN A 143 3.763 25.832 14.290 1.00 14.13 H new ATOM 0 HB3 ASN A 143 2.571 25.699 13.294 1.00 14.13 H new ATOM 0 HD21 ASN A 143 5.038 27.963 12.102 1.00 26.75 H new ATOM 0 HD22 ASN A 143 5.072 26.545 12.557 1.00 26.75 H new ATOM 321 N VAL A 144 1.815 24.362 16.432 1.00 8.20 N ATOM 322 CA VAL A 144 1.280 23.019 16.691 1.00 10.19 C ATOM 323 C VAL A 144 0.534 22.895 18.024 1.00 8.25 C ATOM 324 O VAL A 144 0.205 21.729 18.311 1.00 10.79 O ATOM 325 CB VAL A 144 2.511 22.086 16.597 1.00 11.82 C ATOM 326 CG1 VAL A 144 3.154 22.046 15.194 1.00 13.22 C ATOM 327 CG2 VAL A 144 3.608 22.419 17.635 1.00 12.38 C ATOM 0 H VAL A 144 2.416 24.596 17.001 1.00 8.20 H new ATOM 0 HA VAL A 144 0.594 22.784 16.046 1.00 10.19 H new ATOM 0 HB VAL A 144 2.145 21.209 16.793 1.00 11.82 H new ATOM 0 HG11 VAL A 144 3.916 21.446 15.204 1.00 13.22 H new ATOM 0 HG12 VAL A 144 2.503 21.730 14.548 1.00 13.22 H new ATOM 0 HG13 VAL A 144 3.448 22.937 14.947 1.00 13.22 H new ATOM 0 HG21 VAL A 144 4.351 21.805 17.529 1.00 12.38 H new ATOM 0 HG22 VAL A 144 3.918 23.328 17.498 1.00 12.38 H new ATOM 0 HG23 VAL A 144 3.244 22.334 18.530 1.00 12.38 H new ATOM 328 N THR A 145 0.377 24.041 18.681 1.00 9.56 N ATOM 329 CA THR A 145 -0.354 23.941 19.981 1.00 9.78 C ATOM 330 C THR A 145 -1.309 25.131 20.015 1.00 8.62 C ATOM 331 O THR A 145 -1.270 26.009 19.122 1.00 7.39 O ATOM 332 CB THR A 145 0.721 24.080 21.160 1.00 9.42 C ATOM 333 OG1 THR A 145 1.280 25.430 21.038 1.00 10.90 O ATOM 334 CG2 THR A 145 1.705 22.909 21.153 1.00 9.57 C ATOM 0 H THR A 145 0.648 24.820 18.439 1.00 9.56 H new ATOM 0 HA THR A 145 -0.833 23.104 20.081 1.00 9.78 H new ATOM 0 HB THR A 145 0.340 24.006 22.049 1.00 9.42 H new ATOM 0 HG1 THR A 145 1.920 25.420 20.494 1.00 10.90 H new ATOM 0 HG21 THR A 145 2.343 23.018 21.875 1.00 9.57 H new ATOM 0 HG22 THR A 145 1.220 22.078 21.274 1.00 9.57 H new ATOM 0 HG23 THR A 145 2.177 22.888 20.306 1.00 9.57 H new ATOM 335 N PRO A 146 -2.137 25.131 21.051 1.00 8.06 N ATOM 336 CA PRO A 146 -3.039 26.262 21.255 1.00 8.67 C ATOM 337 C PRO A 146 -2.352 27.475 21.885 1.00 12.35 C ATOM 338 O PRO A 146 -2.993 28.502 22.169 1.00 13.13 O ATOM 339 CB PRO A 146 -4.169 25.703 22.156 1.00 10.03 C ATOM 340 CG PRO A 146 -3.770 24.304 22.522 1.00 13.35 C ATOM 341 CD PRO A 146 -2.311 24.125 22.110 1.00 10.83 C ATOM 0 HA PRO A 146 -3.373 26.601 20.410 1.00 8.67 H new ATOM 0 HB2 PRO A 146 -4.279 26.249 22.950 1.00 10.03 H new ATOM 0 HB3 PRO A 146 -5.018 25.708 21.688 1.00 10.03 H new ATOM 0 HG2 PRO A 146 -3.877 24.156 23.475 1.00 13.35 H new ATOM 0 HG3 PRO A 146 -4.335 23.658 22.070 1.00 13.35 H new ATOM 0 HD2 PRO A 146 -1.707 24.279 22.853 1.00 10.83 H new ATOM 0 HD3 PRO A 146 -2.138 23.228 21.784 1.00 10.83 H new ATOM 342 N LEU A 147 -1.035 27.467 22.140 1.00 9.12 N ATOM 343 CA LEU A 147 -0.358 28.617 22.746 1.00 8.70 C ATOM 344 C LEU A 147 -0.242 29.833 21.854 1.00 5.81 C ATOM 345 O LEU A 147 -0.072 29.772 20.628 1.00 10.71 O ATOM 346 CB LEU A 147 1.067 28.105 23.095 1.00 12.27 C ATOM 347 CG LEU A 147 1.091 26.988 24.148 1.00 14.45 C ATOM 348 CD1 LEU A 147 2.523 26.593 24.545 1.00 17.75 C ATOM 349 CD2 LEU A 147 0.446 27.367 25.467 1.00 14.74 C ATOM 0 H LEU A 147 -0.518 26.802 21.968 1.00 9.12 H new ATOM 0 HA LEU A 147 -0.878 28.920 23.507 1.00 8.70 H new ATOM 0 HB2 LEU A 147 1.492 27.782 22.285 1.00 12.27 H new ATOM 0 HB3 LEU A 147 1.598 28.850 23.416 1.00 12.27 H new ATOM 0 HG LEU A 147 0.604 26.273 23.709 1.00 14.45 H new ATOM 0 HD11 LEU A 147 2.492 25.887 25.210 1.00 17.75 H new ATOM 0 HD12 LEU A 147 3.001 26.278 23.762 1.00 17.75 H new ATOM 0 HD13 LEU A 147 2.981 27.364 24.914 1.00 17.75 H new ATOM 0 HD21 LEU A 147 0.498 26.617 26.080 1.00 14.74 H new ATOM 0 HD22 LEU A 147 0.911 28.128 25.848 1.00 14.74 H new ATOM 0 HD23 LEU A 147 -0.484 27.599 25.318 1.00 14.74 H new ATOM 350 N THR A 148 -0.316 30.974 22.531 1.00 6.62 N ATOM 351 CA THR A 148 -0.156 32.256 21.782 1.00 9.85 C ATOM 352 C THR A 148 0.864 33.054 22.630 1.00 8.63 C ATOM 353 O THR A 148 0.866 32.953 23.858 1.00 9.38 O ATOM 354 CB THR A 148 -1.400 33.098 21.358 1.00 15.59 C ATOM 355 OG1 THR A 148 -1.949 33.558 22.617 1.00 22.33 O ATOM 356 CG2 THR A 148 -2.457 32.209 20.705 1.00 20.58 C ATOM 0 H THR A 148 -0.450 31.047 23.377 1.00 6.62 H new ATOM 0 HA THR A 148 0.128 32.029 20.883 1.00 9.85 H new ATOM 0 HB THR A 148 -1.160 33.801 20.734 1.00 15.59 H new ATOM 0 HG1 THR A 148 -2.631 34.026 22.471 1.00 22.33 H new ATOM 0 HG21 THR A 148 -3.221 32.749 20.449 1.00 20.58 H new ATOM 0 HG22 THR A 148 -2.082 31.786 19.917 1.00 20.58 H new ATOM 0 HG23 THR A 148 -2.740 31.527 21.334 1.00 20.58 H new ATOM 357 N PHE A 149 1.674 33.760 21.883 1.00 9.88 N ATOM 358 CA PHE A 149 2.714 34.593 22.531 1.00 9.54 C ATOM 359 C PHE A 149 2.669 36.075 22.161 1.00 11.28 C ATOM 360 O PHE A 149 2.574 36.351 20.967 1.00 15.10 O ATOM 361 CB PHE A 149 4.119 34.051 22.170 1.00 9.89 C ATOM 362 CG PHE A 149 4.304 32.629 22.562 1.00 5.10 C ATOM 363 CD1 PHE A 149 4.593 32.306 23.893 1.00 9.04 C ATOM 364 CD2 PHE A 149 4.179 31.564 21.642 1.00 9.25 C ATOM 365 CE1 PHE A 149 4.762 30.981 24.324 1.00 6.80 C ATOM 366 CE2 PHE A 149 4.374 30.261 22.060 1.00 7.86 C ATOM 367 CZ PHE A 149 4.620 29.922 23.396 1.00 8.66 C ATOM 0 H PHE A 149 1.659 33.787 21.024 1.00 9.88 H new ATOM 0 HA PHE A 149 2.531 34.533 23.482 1.00 9.54 H new ATOM 0 HB2 PHE A 149 4.260 34.140 21.214 1.00 9.89 H new ATOM 0 HB3 PHE A 149 4.793 34.594 22.608 1.00 9.89 H new ATOM 0 HD1 PHE A 149 4.676 32.994 24.514 1.00 9.04 H new ATOM 0 HD2 PHE A 149 3.965 31.740 20.754 1.00 9.25 H new ATOM 0 HE1 PHE A 149 4.966 30.800 25.213 1.00 6.80 H new ATOM 0 HE2 PHE A 149 4.340 29.581 21.427 1.00 7.86 H new ATOM 0 HZ PHE A 149 4.688 29.034 23.664 1.00 8.66 H new ATOM 368 N THR A 150 2.799 36.913 23.163 1.00 8.23 N ATOM 369 CA THR A 150 2.777 38.364 22.967 1.00 8.61 C ATOM 370 C THR A 150 4.092 38.960 23.507 1.00 4.62 C ATOM 371 O THR A 150 4.368 38.794 24.657 1.00 7.07 O ATOM 372 CB THR A 150 1.579 39.034 23.755 1.00 13.15 C ATOM 373 OG1 THR A 150 0.394 38.373 23.207 1.00 14.60 O ATOM 374 CG2 THR A 150 1.534 40.557 23.523 1.00 10.34 C ATOM 0 H THR A 150 2.903 36.668 23.981 1.00 8.23 H new ATOM 0 HA THR A 150 2.670 38.539 22.019 1.00 8.61 H new ATOM 0 HB THR A 150 1.656 38.928 24.716 1.00 13.15 H new ATOM 0 HG1 THR A 150 0.119 37.795 23.751 1.00 14.60 H new ATOM 0 HG21 THR A 150 0.791 40.938 24.017 1.00 10.34 H new ATOM 0 HG22 THR A 150 2.364 40.956 23.828 1.00 10.34 H new ATOM 0 HG23 THR A 150 1.418 40.737 22.577 1.00 10.34 H new ATOM 375 N LYS A 151 4.717 39.735 22.674 1.00 6.31 N ATOM 376 CA LYS A 151 5.943 40.413 23.082 1.00 7.59 C ATOM 377 C LYS A 151 5.589 41.703 23.809 1.00 9.24 C ATOM 378 O LYS A 151 4.718 42.457 23.252 1.00 11.92 O ATOM 379 CB LYS A 151 6.767 40.805 21.835 1.00 11.68 C ATOM 380 CG LYS A 151 8.104 41.529 22.129 1.00 11.34 C ATOM 381 CD LYS A 151 8.701 41.582 20.690 1.00 16.15 C ATOM 382 CE LYS A 151 10.183 41.912 20.665 1.00 27.59 C ATOM 383 NZ LYS A 151 10.454 43.346 20.991 1.00 35.92 N ATOM 0 H LYS A 151 4.464 39.893 21.867 1.00 6.31 H new ATOM 0 HA LYS A 151 6.450 39.815 23.654 1.00 7.59 H new ATOM 0 HB2 LYS A 151 6.956 40.002 21.324 1.00 11.68 H new ATOM 0 HB3 LYS A 151 6.223 41.378 21.272 1.00 11.68 H new ATOM 0 HG2 LYS A 151 7.973 42.412 22.509 1.00 11.34 H new ATOM 0 HG3 LYS A 151 8.666 41.035 22.746 1.00 11.34 H new ATOM 0 HD2 LYS A 151 8.560 40.726 20.256 1.00 16.15 H new ATOM 0 HD3 LYS A 151 8.220 42.246 20.171 1.00 16.15 H new ATOM 0 HE2 LYS A 151 10.649 41.345 21.300 1.00 27.59 H new ATOM 0 HE3 LYS A 151 10.542 41.709 19.787 1.00 27.59 H new ATOM 0 HZ1 LYS A 151 11.331 43.496 20.965 1.00 35.92 H new ATOM 0 HZ2 LYS A 151 10.047 43.868 20.396 1.00 35.92 H new ATOM 0 HZ3 LYS A 151 10.146 43.529 21.806 1.00 35.92 H new ATOM 384 N VAL A 152 6.121 41.964 24.954 1.00 5.43 N ATOM 385 CA VAL A 152 5.884 43.207 25.690 1.00 7.92 C ATOM 386 C VAL A 152 7.246 43.901 25.725 1.00 11.89 C ATOM 387 O VAL A 152 8.316 43.284 25.742 1.00 13.98 O ATOM 388 CB VAL A 152 5.297 42.926 27.051 1.00 13.27 C ATOM 389 CG1 VAL A 152 3.987 42.171 26.841 1.00 14.25 C ATOM 390 CG2 VAL A 152 6.210 42.210 28.022 1.00 11.47 C ATOM 0 H VAL A 152 6.651 41.421 25.359 1.00 5.43 H new ATOM 0 HA VAL A 152 5.226 43.784 25.271 1.00 7.92 H new ATOM 0 HB VAL A 152 5.150 43.780 27.486 1.00 13.27 H new ATOM 0 HG11 VAL A 152 3.584 41.975 27.702 1.00 14.25 H new ATOM 0 HG12 VAL A 152 3.380 42.716 26.317 1.00 14.25 H new ATOM 0 HG13 VAL A 152 4.163 41.341 26.371 1.00 14.25 H new ATOM 0 HG21 VAL A 152 5.746 42.075 28.863 1.00 11.47 H new ATOM 0 HG22 VAL A 152 6.465 41.350 27.653 1.00 11.47 H new ATOM 0 HG23 VAL A 152 7.005 42.745 28.173 1.00 11.47 H new ATOM 391 N SER A 153 7.161 45.245 25.729 1.00 16.93 N ATOM 392 CA SER A 153 8.367 46.091 25.753 1.00 19.80 C ATOM 393 C SER A 153 8.801 46.535 27.123 1.00 17.81 C ATOM 394 O SER A 153 9.960 47.015 27.321 1.00 16.99 O ATOM 395 CB SER A 153 7.967 47.356 24.960 1.00 24.91 C ATOM 396 OG SER A 153 6.725 47.834 25.527 1.00 36.38 O ATOM 0 H SER A 153 6.420 45.681 25.718 1.00 16.93 H new ATOM 0 HA SER A 153 9.111 45.582 25.393 1.00 19.80 H new ATOM 0 HB2 SER A 153 8.657 48.034 25.024 1.00 24.91 H new ATOM 0 HB3 SER A 153 7.858 47.151 24.018 1.00 24.91 H new ATOM 0 HG SER A 153 6.082 47.578 25.050 1.00 36.38 H new ATOM 397 N GLU A 154 7.948 46.381 28.118 1.00 14.98 N ATOM 398 CA GLU A 154 8.258 46.762 29.479 1.00 12.70 C ATOM 399 C GLU A 154 7.523 45.900 30.468 1.00 13.44 C ATOM 400 O GLU A 154 6.584 45.229 30.018 1.00 15.26 O ATOM 401 CB GLU A 154 8.037 48.228 29.770 1.00 23.03 C ATOM 402 CG GLU A 154 6.820 49.069 29.739 1.00 28.61 C ATOM 403 CD GLU A 154 7.030 50.530 30.106 1.00 34.80 C ATOM 404 OE1 GLU A 154 7.404 51.223 29.137 1.00 35.22 O ATOM 405 OE2 GLU A 154 6.857 50.966 31.242 1.00 40.82 O ATOM 0 H GLU A 154 7.161 46.047 28.020 1.00 14.98 H new ATOM 0 HA GLU A 154 9.211 46.612 29.580 1.00 12.70 H new ATOM 0 HB2 GLU A 154 8.380 48.343 30.670 1.00 23.03 H new ATOM 0 HB3 GLU A 154 8.652 48.682 29.172 1.00 23.03 H new ATOM 0 HG2 GLU A 154 6.438 49.026 28.848 1.00 28.61 H new ATOM 0 HG3 GLU A 154 6.166 48.689 30.347 1.00 28.61 H new ATOM 406 N GLY A 155 7.978 45.928 31.690 1.00 11.14 N ATOM 407 CA GLY A 155 7.270 45.124 32.698 1.00 14.06 C ATOM 408 C GLY A 155 7.842 43.721 32.786 1.00 11.06 C ATOM 409 O GLY A 155 8.815 43.390 32.036 1.00 14.40 O ATOM 0 H GLY A 155 8.658 46.375 31.967 1.00 11.14 H new ATOM 0 HA2 GLY A 155 7.335 45.557 33.564 1.00 14.06 H new ATOM 0 HA3 GLY A 155 6.327 45.078 32.474 1.00 14.06 H new ATOM 410 N GLN A 156 7.286 42.939 33.648 1.00 11.49 N ATOM 411 CA GLN A 156 7.701 41.534 33.866 1.00 10.86 C ATOM 412 C GLN A 156 6.845 40.710 32.957 1.00 12.20 C ATOM 413 O GLN A 156 5.604 40.841 32.850 1.00 11.15 O ATOM 414 CB GLN A 156 7.462 41.153 35.330 1.00 13.70 C ATOM 415 CG GLN A 156 8.431 41.866 36.267 1.00 20.83 C ATOM 416 CD GLN A 156 9.892 41.492 36.081 1.00 29.52 C ATOM 417 OE1 GLN A 156 10.734 42.370 35.866 1.00 36.75 O ATOM 418 NE2 GLN A 156 10.199 40.207 36.168 1.00 30.19 N ATOM 0 H GLN A 156 6.635 43.187 34.153 1.00 11.49 H new ATOM 0 HA GLN A 156 8.642 41.395 33.678 1.00 10.86 H new ATOM 0 HB2 GLN A 156 6.551 41.375 35.577 1.00 13.70 H new ATOM 0 HB3 GLN A 156 7.558 40.193 35.434 1.00 13.70 H new ATOM 0 HG2 GLN A 156 8.337 42.823 36.141 1.00 20.83 H new ATOM 0 HG3 GLN A 156 8.175 41.674 37.183 1.00 20.83 H new ATOM 0 HE21 GLN A 156 9.582 39.627 36.319 1.00 30.19 H new ATOM 0 HE22 GLN A 156 11.015 39.953 36.074 1.00 30.19 H new ATOM 419 N ALA A 157 7.384 39.774 32.220 1.00 6.70 N ATOM 420 CA ALA A 157 6.819 38.863 31.273 1.00 7.51 C ATOM 421 C ALA A 157 6.899 37.441 31.805 1.00 8.56 C ATOM 422 O ALA A 157 7.698 37.184 32.732 1.00 10.00 O ATOM 423 CB ALA A 157 7.398 38.928 29.853 1.00 10.56 C ATOM 0 H ALA A 157 8.232 39.640 32.277 1.00 6.70 H new ATOM 0 HA ALA A 157 5.897 39.149 31.176 1.00 7.51 H new ATOM 0 HB1 ALA A 157 6.951 38.276 29.291 1.00 10.56 H new ATOM 0 HB2 ALA A 157 7.261 39.816 29.488 1.00 10.56 H new ATOM 0 HB3 ALA A 157 8.348 38.733 29.881 1.00 10.56 H new ATOM 424 N ASP A 158 6.133 36.553 31.204 1.00 4.69 N ATOM 425 CA ASP A 158 6.178 35.141 31.619 1.00 6.91 C ATOM 426 C ASP A 158 7.603 34.614 31.264 1.00 8.04 C ATOM 427 O ASP A 158 8.099 33.870 32.106 1.00 8.67 O ATOM 428 CB ASP A 158 5.085 34.277 31.002 1.00 7.15 C ATOM 429 CG ASP A 158 3.660 34.723 31.409 1.00 7.16 C ATOM 430 OD1 ASP A 158 3.420 34.716 32.655 1.00 11.34 O ATOM 431 OD2 ASP A 158 2.940 35.033 30.458 1.00 9.77 O ATOM 0 H ASP A 158 5.586 36.729 30.564 1.00 4.69 H new ATOM 0 HA ASP A 158 6.006 35.085 32.572 1.00 6.91 H new ATOM 0 HB2 ASP A 158 5.164 34.306 30.036 1.00 7.15 H new ATOM 0 HB3 ASP A 158 5.219 33.354 31.270 1.00 7.15 H new ATOM 432 N ILE A 159 8.082 34.949 30.101 1.00 7.48 N ATOM 433 CA ILE A 159 9.412 34.467 29.630 1.00 4.86 C ATOM 434 C ILE A 159 10.294 35.706 29.402 1.00 4.79 C ATOM 435 O ILE A 159 10.033 36.458 28.436 1.00 6.08 O ATOM 436 CB ILE A 159 9.223 33.634 28.321 1.00 6.45 C ATOM 437 CG1 ILE A 159 8.471 32.310 28.672 1.00 6.79 C ATOM 438 CG2 ILE A 159 10.603 33.336 27.643 1.00 4.98 C ATOM 439 CD1 ILE A 159 7.831 31.588 27.465 1.00 11.67 C ATOM 0 H ILE A 159 7.672 35.458 29.542 1.00 7.48 H new ATOM 0 HA ILE A 159 9.839 33.888 30.281 1.00 4.86 H new ATOM 0 HB ILE A 159 8.697 34.144 27.685 1.00 6.45 H new ATOM 0 HG12 ILE A 159 9.094 31.704 29.102 1.00 6.79 H new ATOM 0 HG13 ILE A 159 7.776 32.509 29.319 1.00 6.79 H new ATOM 0 HG21 ILE A 159 10.462 32.819 26.834 1.00 4.98 H new ATOM 0 HG22 ILE A 159 11.041 34.172 27.419 1.00 4.98 H new ATOM 0 HG23 ILE A 159 11.162 32.832 28.255 1.00 4.98 H new ATOM 0 HD11 ILE A 159 7.387 30.781 27.769 1.00 11.67 H new ATOM 0 HD12 ILE A 159 7.183 32.174 27.044 1.00 11.67 H new ATOM 0 HD13 ILE A 159 8.521 31.356 26.824 1.00 11.67 H new ATOM 440 N MET A 160 11.359 35.806 30.246 1.00 6.15 N ATOM 441 CA MET A 160 12.313 36.951 30.070 1.00 4.48 C ATOM 442 C MET A 160 13.576 36.437 29.337 1.00 4.56 C ATOM 443 O MET A 160 14.082 35.412 29.815 1.00 6.64 O ATOM 444 CB MET A 160 12.596 37.607 31.401 1.00 6.83 C ATOM 445 CG MET A 160 11.398 38.040 32.236 1.00 11.61 C ATOM 446 SD MET A 160 10.807 39.621 31.606 1.00 13.88 S ATOM 447 CE MET A 160 11.957 40.820 32.306 1.00 16.55 C ATOM 0 H MET A 160 11.541 35.262 30.886 1.00 6.15 H new ATOM 0 HA MET A 160 11.926 37.647 29.517 1.00 4.48 H new ATOM 0 HB2 MET A 160 13.125 36.992 31.932 1.00 6.83 H new ATOM 0 HB3 MET A 160 13.147 38.389 31.239 1.00 6.83 H new ATOM 0 HG2 MET A 160 10.695 37.374 32.188 1.00 11.61 H new ATOM 0 HG3 MET A 160 11.649 38.121 33.169 1.00 11.61 H new ATOM 0 HE1 MET A 160 11.490 41.383 32.943 1.00 16.55 H new ATOM 0 HE2 MET A 160 12.678 40.353 32.756 1.00 16.55 H new ATOM 0 HE3 MET A 160 12.322 41.371 31.596 1.00 16.55 H new ATOM 448 N ILE A 161 13.940 37.030 28.238 1.00 5.04 N ATOM 449 CA ILE A 161 15.157 36.525 27.542 1.00 5.24 C ATOM 450 C ILE A 161 16.252 37.567 27.710 1.00 7.63 C ATOM 451 O ILE A 161 16.030 38.792 27.556 1.00 6.92 O ATOM 452 CB ILE A 161 14.753 36.510 26.057 1.00 6.54 C ATOM 453 CG1 ILE A 161 13.767 35.315 25.938 1.00 8.31 C ATOM 454 CG2 ILE A 161 16.006 36.276 25.155 1.00 9.92 C ATOM 455 CD1 ILE A 161 12.744 35.545 24.787 1.00 13.39 C ATOM 0 H ILE A 161 13.540 37.696 27.868 1.00 5.04 H new ATOM 0 HA ILE A 161 15.462 35.665 27.871 1.00 5.24 H new ATOM 0 HB ILE A 161 14.356 37.348 25.771 1.00 6.54 H new ATOM 0 HG12 ILE A 161 14.263 34.498 25.775 1.00 8.31 H new ATOM 0 HG13 ILE A 161 13.294 35.197 26.777 1.00 8.31 H new ATOM 0 HG21 ILE A 161 15.737 36.269 24.223 1.00 9.92 H new ATOM 0 HG22 ILE A 161 16.647 36.989 25.301 1.00 9.92 H new ATOM 0 HG23 ILE A 161 16.413 35.425 25.380 1.00 9.92 H new ATOM 0 HD11 ILE A 161 12.141 34.787 24.733 1.00 13.39 H new ATOM 0 HD12 ILE A 161 12.234 36.351 24.963 1.00 13.39 H new ATOM 0 HD13 ILE A 161 13.218 35.640 23.946 1.00 13.39 H new ATOM 456 N SER A 162 17.489 37.103 27.980 1.00 6.25 N ATOM 457 CA SER A 162 18.620 38.068 28.096 1.00 7.46 C ATOM 458 C SER A 162 19.889 37.399 27.605 1.00 5.77 C ATOM 459 O SER A 162 19.949 36.143 27.466 1.00 5.79 O ATOM 460 CB SER A 162 18.825 38.524 29.520 1.00 8.59 C ATOM 461 OG SER A 162 18.935 37.391 30.314 1.00 10.09 O ATOM 0 H SER A 162 17.694 36.276 28.095 1.00 6.25 H new ATOM 0 HA SER A 162 18.408 38.847 27.559 1.00 7.46 H new ATOM 0 HB2 SER A 162 19.625 39.069 29.591 1.00 8.59 H new ATOM 0 HB3 SER A 162 18.081 39.073 29.812 1.00 8.59 H new ATOM 0 HG SER A 162 19.149 36.734 29.837 1.00 10.09 H new ATOM 462 N PHE A 163 20.881 38.199 27.300 1.00 5.47 N ATOM 463 CA PHE A 163 22.221 37.821 26.805 1.00 5.51 C ATOM 464 C PHE A 163 23.115 38.168 28.007 1.00 6.34 C ATOM 465 O PHE A 163 23.155 39.362 28.400 1.00 8.74 O ATOM 466 CB PHE A 163 22.556 38.659 25.602 1.00 4.92 C ATOM 467 CG PHE A 163 21.780 38.143 24.399 1.00 4.97 C ATOM 468 CD1 PHE A 163 22.301 37.129 23.624 1.00 4.66 C ATOM 469 CD2 PHE A 163 20.535 38.718 24.106 1.00 9.28 C ATOM 470 CE1 PHE A 163 21.556 36.656 22.553 1.00 11.47 C ATOM 471 CE2 PHE A 163 19.794 38.279 23.017 1.00 11.48 C ATOM 472 CZ PHE A 163 20.314 37.236 22.253 1.00 10.20 C ATOM 0 H PHE A 163 20.801 39.052 27.377 1.00 5.47 H new ATOM 0 HA PHE A 163 22.312 36.897 26.523 1.00 5.51 H new ATOM 0 HB2 PHE A 163 22.333 39.588 25.770 1.00 4.92 H new ATOM 0 HB3 PHE A 163 23.509 38.623 25.425 1.00 4.92 H new ATOM 0 HD1 PHE A 163 23.137 36.768 23.815 1.00 4.66 H new ATOM 0 HD2 PHE A 163 20.203 39.399 24.645 1.00 9.28 H new ATOM 0 HE1 PHE A 163 21.880 35.955 22.034 1.00 11.47 H new ATOM 0 HE2 PHE A 163 18.977 38.669 22.804 1.00 11.48 H new ATOM 0 HZ PHE A 163 19.827 36.917 21.528 1.00 10.20 H new ATOM 473 N VAL A 164 23.810 37.221 28.570 1.00 4.48 N ATOM 474 CA VAL A 164 24.616 37.453 29.763 1.00 7.56 C ATOM 475 C VAL A 164 25.870 36.611 29.687 1.00 6.20 C ATOM 476 O VAL A 164 25.906 35.689 28.880 1.00 7.18 O ATOM 477 CB VAL A 164 23.791 36.931 30.976 1.00 9.73 C ATOM 478 CG1 VAL A 164 22.629 37.878 31.309 1.00 11.59 C ATOM 479 CG2 VAL A 164 23.331 35.476 30.798 1.00 10.22 C ATOM 0 H VAL A 164 23.837 36.412 28.279 1.00 4.48 H new ATOM 0 HA VAL A 164 24.843 38.393 29.843 1.00 7.56 H new ATOM 0 HB VAL A 164 24.386 36.925 31.742 1.00 9.73 H new ATOM 0 HG11 VAL A 164 22.134 37.529 32.066 1.00 11.59 H new ATOM 0 HG12 VAL A 164 22.979 38.755 31.529 1.00 11.59 H new ATOM 0 HG13 VAL A 164 22.039 37.949 30.542 1.00 11.59 H new ATOM 0 HG21 VAL A 164 22.823 35.199 31.577 1.00 10.22 H new ATOM 0 HG22 VAL A 164 22.773 35.407 30.008 1.00 10.22 H new ATOM 0 HG23 VAL A 164 24.106 34.901 30.697 1.00 10.22 H new ATOM 480 N ARG A 165 26.811 36.889 30.565 1.00 7.34 N ATOM 481 CA ARG A 165 28.076 36.103 30.513 1.00 8.50 C ATOM 482 C ARG A 165 28.502 35.804 31.943 1.00 7.81 C ATOM 483 O ARG A 165 28.102 36.408 32.926 1.00 9.33 O ATOM 484 CB ARG A 165 29.143 36.846 29.686 1.00 15.42 C ATOM 485 CG ARG A 165 29.462 38.215 30.197 1.00 18.97 C ATOM 486 CD ARG A 165 30.580 38.866 29.386 1.00 27.79 C ATOM 487 NE ARG A 165 31.776 38.062 29.565 1.00 36.48 N ATOM 488 CZ ARG A 165 32.511 37.701 30.626 1.00 42.09 C ATOM 489 NH1 ARG A 165 32.307 38.069 31.899 1.00 44.53 N ATOM 490 NH2 ARG A 165 33.541 36.860 30.423 1.00 40.47 N ATOM 0 H ARG A 165 26.765 37.492 31.177 1.00 7.34 H new ATOM 0 HA ARG A 165 27.947 35.257 30.057 1.00 8.50 H new ATOM 0 HB2 ARG A 165 29.956 36.317 29.674 1.00 15.42 H new ATOM 0 HB3 ARG A 165 28.837 36.916 28.768 1.00 15.42 H new ATOM 0 HG2 ARG A 165 28.667 38.770 30.159 1.00 18.97 H new ATOM 0 HG3 ARG A 165 29.725 38.161 31.129 1.00 18.97 H new ATOM 0 HD2 ARG A 165 30.338 38.913 28.448 1.00 27.79 H new ATOM 0 HD3 ARG A 165 30.733 39.776 29.685 1.00 27.79 H new ATOM 0 HE ARG A 165 32.081 37.747 28.825 1.00 36.48 H new ATOM 0 HH11 ARG A 165 31.650 38.587 32.097 1.00 44.53 H new ATOM 0 HH12 ARG A 165 32.833 37.787 32.518 1.00 44.53 H new ATOM 0 HH21 ARG A 165 33.711 36.571 29.631 1.00 40.47 H new ATOM 0 HH22 ARG A 165 34.030 36.611 31.085 1.00 40.47 H new ATOM 491 N GLY A 166 29.304 34.774 31.949 1.00 5.91 N ATOM 492 CA GLY A 166 29.897 34.277 33.215 1.00 6.57 C ATOM 493 C GLY A 166 28.999 34.195 34.388 1.00 8.30 C ATOM 494 O GLY A 166 27.881 33.636 34.142 1.00 7.23 O ATOM 0 H GLY A 166 29.532 34.333 31.247 1.00 5.91 H new ATOM 0 HA2 GLY A 166 30.261 33.393 33.051 1.00 6.57 H new ATOM 0 HA3 GLY A 166 30.643 34.853 33.445 1.00 6.57 H new ATOM 495 N ASP A 167 29.193 34.585 35.620 1.00 6.51 N ATOM 496 CA ASP A 167 28.255 34.471 36.735 1.00 8.68 C ATOM 497 C ASP A 167 27.354 35.685 36.592 1.00 7.57 C ATOM 498 O ASP A 167 27.680 36.864 36.613 1.00 10.06 O ATOM 499 CB ASP A 167 29.092 34.539 38.024 1.00 9.45 C ATOM 500 CG ASP A 167 28.141 34.397 39.197 1.00 17.96 C ATOM 501 OD1 ASP A 167 26.976 34.044 39.088 1.00 17.17 O ATOM 502 OD2 ASP A 167 28.738 34.671 40.252 1.00 19.15 O ATOM 0 H ASP A 167 29.932 34.955 35.859 1.00 6.51 H new ATOM 0 HA ASP A 167 27.731 33.655 36.752 1.00 8.68 H new ATOM 0 HB2 ASP A 167 29.756 33.832 38.037 1.00 9.45 H new ATOM 0 HB3 ASP A 167 29.572 35.380 38.075 1.00 9.45 H new ATOM 503 N HIS A 168 26.061 35.360 36.383 1.00 7.66 N ATOM 504 CA HIS A 168 25.030 36.359 36.162 1.00 5.81 C ATOM 505 C HIS A 168 23.863 36.291 37.125 1.00 11.81 C ATOM 506 O HIS A 168 22.718 36.451 36.660 1.00 13.98 O ATOM 507 CB HIS A 168 24.591 36.386 34.662 1.00 6.71 C ATOM 508 CG HIS A 168 24.177 34.995 34.249 1.00 6.93 C ATOM 509 ND1 HIS A 168 24.962 33.957 33.845 1.00 6.49 N ATOM 510 CD2 HIS A 168 22.945 34.388 34.132 1.00 5.05 C ATOM 511 CE1 HIS A 168 24.428 32.828 33.533 1.00 6.82 C ATOM 512 NE2 HIS A 168 23.086 33.100 33.684 1.00 5.06 N ATOM 0 H HIS A 168 25.772 34.550 36.368 1.00 7.66 H new ATOM 0 HA HIS A 168 25.438 37.215 36.367 1.00 5.81 H new ATOM 0 HB2 HIS A 168 23.855 37.006 34.539 1.00 6.71 H new ATOM 0 HB3 HIS A 168 25.321 36.698 34.104 1.00 6.71 H new ATOM 0 HD1 HIS A 168 25.815 34.056 33.798 1.00 6.49 H new ATOM 0 HD2 HIS A 168 22.132 34.795 34.329 1.00 5.05 H new ATOM 0 HE1 HIS A 168 24.840 32.036 33.274 1.00 6.82 H new ATOM 513 N ARG A 169 24.157 36.028 38.357 1.00 12.42 N ATOM 514 CA ARG A 169 23.121 36.010 39.403 1.00 14.16 C ATOM 515 C ARG A 169 22.213 34.834 39.448 1.00 15.51 C ATOM 516 O ARG A 169 21.210 34.940 40.187 1.00 22.20 O ATOM 517 CB ARG A 169 22.432 37.383 39.447 1.00 23.24 C ATOM 518 CG ARG A 169 23.322 38.611 39.620 1.00 37.91 C ATOM 519 CD ARG A 169 24.621 38.335 40.294 1.00 51.14 C ATOM 520 NE ARG A 169 24.613 37.936 41.701 1.00 61.99 N ATOM 521 CZ ARG A 169 25.716 37.990 42.469 1.00 65.94 C ATOM 522 NH1 ARG A 169 26.866 38.409 41.928 1.00 66.22 N ATOM 523 NH2 ARG A 169 25.689 37.639 43.755 1.00 68.53 N ATOM 0 H ARG A 169 24.951 35.852 38.637 1.00 12.42 H new ATOM 0 HA ARG A 169 23.580 35.862 40.245 1.00 14.16 H new ATOM 0 HB2 ARG A 169 21.928 37.492 38.625 1.00 23.24 H new ATOM 0 HB3 ARG A 169 21.790 37.373 40.174 1.00 23.24 H new ATOM 0 HG2 ARG A 169 23.498 38.996 38.747 1.00 37.91 H new ATOM 0 HG3 ARG A 169 22.839 39.278 40.132 1.00 37.91 H new ATOM 0 HD2 ARG A 169 25.069 37.636 39.793 1.00 51.14 H new ATOM 0 HD3 ARG A 169 25.167 39.133 40.218 1.00 51.14 H new ATOM 0 HE ARG A 169 23.878 37.657 42.049 1.00 61.99 H new ATOM 0 HH11 ARG A 169 26.893 38.639 41.100 1.00 66.22 H new ATOM 0 HH12 ARG A 169 27.578 38.448 42.409 1.00 66.22 H new ATOM 0 HH21 ARG A 169 24.954 37.370 44.112 1.00 68.53 H new ATOM 0 HH22 ARG A 169 26.406 37.681 44.227 1.00 68.53 H new ATOM 524 N ASP A 170 22.406 33.744 38.782 1.00 9.71 N ATOM 525 CA ASP A 170 21.610 32.530 38.865 1.00 8.80 C ATOM 526 C ASP A 170 22.638 31.440 39.284 1.00 8.84 C ATOM 527 O ASP A 170 23.835 31.813 39.464 1.00 8.55 O ATOM 528 CB ASP A 170 20.672 32.250 37.743 1.00 6.76 C ATOM 529 CG ASP A 170 21.376 31.886 36.477 1.00 9.54 C ATOM 530 OD1 ASP A 170 22.564 31.524 36.474 1.00 8.97 O ATOM 531 OD2 ASP A 170 20.741 31.914 35.398 1.00 8.41 O ATOM 0 H ASP A 170 23.053 33.670 38.220 1.00 9.71 H new ATOM 0 HA ASP A 170 20.903 32.596 39.526 1.00 8.80 H new ATOM 0 HB2 ASP A 170 20.077 31.527 37.997 1.00 6.76 H new ATOM 0 HB3 ASP A 170 20.118 33.031 37.587 1.00 6.76 H new ATOM 532 N ASN A 171 22.214 30.251 39.455 1.00 8.22 N ATOM 533 CA ASN A 171 23.155 29.209 39.922 1.00 8.09 C ATOM 534 C ASN A 171 23.785 28.425 38.816 1.00 8.17 C ATOM 535 O ASN A 171 24.245 27.278 39.058 1.00 11.73 O ATOM 536 CB ASN A 171 22.294 28.338 40.861 1.00 8.74 C ATOM 537 CG ASN A 171 21.965 29.153 42.117 1.00 8.42 C ATOM 538 OD1 ASN A 171 22.706 30.030 42.611 1.00 10.83 O ATOM 539 ND2 ASN A 171 20.796 28.744 42.601 1.00 13.17 N ATOM 0 H ASN A 171 21.406 29.988 39.320 1.00 8.22 H new ATOM 0 HA ASN A 171 23.926 29.593 40.368 1.00 8.09 H new ATOM 0 HB2 ASN A 171 21.478 28.065 40.413 1.00 8.74 H new ATOM 0 HB3 ASN A 171 22.771 27.528 41.100 1.00 8.74 H new ATOM 0 HD21 ASN A 171 20.484 29.092 43.323 1.00 13.17 H new ATOM 0 HD22 ASN A 171 20.352 28.131 42.192 1.00 13.17 H new ATOM 540 N SER A 172 23.759 29.043 37.631 1.00 8.61 N ATOM 541 CA SER A 172 24.370 28.377 36.490 1.00 8.84 C ATOM 542 C SER A 172 25.279 29.324 35.742 1.00 8.68 C ATOM 543 O SER A 172 24.893 29.697 34.607 1.00 7.09 O ATOM 544 CB SER A 172 23.365 27.871 35.418 1.00 15.70 C ATOM 545 OG SER A 172 22.529 26.916 36.060 1.00 27.81 O ATOM 0 H SER A 172 23.409 29.813 37.475 1.00 8.61 H new ATOM 0 HA SER A 172 24.832 27.623 36.889 1.00 8.84 H new ATOM 0 HB2 SER A 172 22.840 28.606 35.064 1.00 15.70 H new ATOM 0 HB3 SER A 172 23.833 27.470 34.669 1.00 15.70 H new ATOM 0 HG SER A 172 21.968 26.619 35.509 1.00 27.81 H new ATOM 546 N PRO A 173 26.423 29.675 36.300 1.00 7.07 N ATOM 547 CA PRO A 173 27.320 30.562 35.534 1.00 7.41 C ATOM 548 C PRO A 173 27.712 30.008 34.160 1.00 6.45 C ATOM 549 O PRO A 173 27.877 28.777 34.015 1.00 7.34 O ATOM 550 CB PRO A 173 28.552 30.542 36.475 1.00 5.61 C ATOM 551 CG PRO A 173 28.074 30.308 37.853 1.00 7.88 C ATOM 552 CD PRO A 173 26.918 29.285 37.660 1.00 5.09 C ATOM 0 HA PRO A 173 26.928 31.426 35.331 1.00 7.41 H new ATOM 0 HB2 PRO A 173 29.171 29.844 36.208 1.00 5.61 H new ATOM 0 HB3 PRO A 173 29.033 31.383 36.422 1.00 5.61 H new ATOM 0 HG2 PRO A 173 28.776 29.952 38.420 1.00 7.88 H new ATOM 0 HG3 PRO A 173 27.762 31.127 38.268 1.00 7.88 H new ATOM 0 HD2 PRO A 173 27.230 28.367 37.689 1.00 5.09 H new ATOM 0 HD3 PRO A 173 26.232 29.372 38.340 1.00 5.09 H new ATOM 553 N PHE A 174 27.825 30.936 33.226 1.00 5.83 N ATOM 554 CA PHE A 174 28.250 30.634 31.861 1.00 6.23 C ATOM 555 C PHE A 174 29.780 30.367 31.997 1.00 9.47 C ATOM 556 O PHE A 174 30.473 30.604 32.997 1.00 10.78 O ATOM 557 CB PHE A 174 27.859 31.598 30.789 1.00 7.04 C ATOM 558 CG PHE A 174 26.416 31.331 30.354 1.00 4.68 C ATOM 559 CD1 PHE A 174 26.024 30.058 29.914 1.00 6.38 C ATOM 560 CD2 PHE A 174 25.550 32.401 30.359 1.00 7.26 C ATOM 561 CE1 PHE A 174 24.668 29.868 29.513 1.00 10.46 C ATOM 562 CE2 PHE A 174 24.240 32.286 29.963 1.00 7.32 C ATOM 563 CZ PHE A 174 23.831 31.006 29.556 1.00 6.89 C ATOM 0 H PHE A 174 27.657 31.768 33.363 1.00 5.83 H new ATOM 0 HA PHE A 174 27.766 29.866 31.518 1.00 6.23 H new ATOM 0 HB2 PHE A 174 27.945 32.508 31.114 1.00 7.04 H new ATOM 0 HB3 PHE A 174 28.456 31.510 30.030 1.00 7.04 H new ATOM 0 HD1 PHE A 174 26.633 29.356 29.884 1.00 6.38 H new ATOM 0 HD2 PHE A 174 25.863 33.230 30.640 1.00 7.26 H new ATOM 0 HE1 PHE A 174 24.351 29.038 29.238 1.00 10.46 H new ATOM 0 HE2 PHE A 174 23.659 33.012 29.964 1.00 7.32 H new ATOM 0 HZ PHE A 174 22.945 30.899 29.296 1.00 6.89 H new ATOM 564 N ASP A 175 30.274 29.878 30.869 1.00 6.61 N ATOM 565 CA ASP A 175 31.682 29.364 30.766 1.00 8.36 C ATOM 566 C ASP A 175 32.524 29.925 29.658 1.00 6.88 C ATOM 567 O ASP A 175 33.566 29.249 29.273 1.00 11.74 O ATOM 568 CB ASP A 175 31.419 27.847 30.625 1.00 7.34 C ATOM 569 CG ASP A 175 30.653 27.427 29.368 1.00 8.14 C ATOM 570 OD1 ASP A 175 30.201 28.329 28.631 1.00 8.15 O ATOM 571 OD2 ASP A 175 30.520 26.193 29.186 1.00 12.39 O ATOM 0 H ASP A 175 29.826 29.825 30.137 1.00 6.61 H new ATOM 0 HA ASP A 175 32.226 29.628 31.524 1.00 8.36 H new ATOM 0 HB2 ASP A 175 32.271 27.384 30.636 1.00 7.34 H new ATOM 0 HB3 ASP A 175 30.923 27.547 31.403 1.00 7.34 H new ATOM 572 N GLY A 176 32.238 31.067 29.134 1.00 7.81 N ATOM 573 CA GLY A 176 33.056 31.675 28.044 1.00 9.06 C ATOM 574 C GLY A 176 32.667 31.026 26.753 1.00 8.82 C ATOM 575 O GLY A 176 31.692 30.226 26.532 1.00 8.75 O ATOM 0 H GLY A 176 31.566 31.546 29.376 1.00 7.81 H new ATOM 0 HA2 GLY A 176 32.905 32.632 28.001 1.00 9.06 H new ATOM 0 HA3 GLY A 176 34.001 31.545 28.217 1.00 9.06 H new ATOM 576 N PRO A 177 33.423 31.270 25.695 1.00 9.12 N ATOM 577 CA PRO A 177 33.182 30.731 24.338 1.00 8.76 C ATOM 578 C PRO A 177 33.123 29.231 24.311 1.00 10.34 C ATOM 579 O PRO A 177 33.945 28.503 24.957 1.00 14.48 O ATOM 580 CB PRO A 177 34.430 31.180 23.575 1.00 11.49 C ATOM 581 CG PRO A 177 34.743 32.490 24.247 1.00 13.50 C ATOM 582 CD PRO A 177 34.626 32.147 25.740 1.00 11.60 C ATOM 0 HA PRO A 177 32.336 31.039 23.977 1.00 8.76 H new ATOM 0 HB2 PRO A 177 35.157 30.544 23.660 1.00 11.49 H new ATOM 0 HB3 PRO A 177 34.258 31.289 22.627 1.00 11.49 H new ATOM 0 HG2 PRO A 177 35.631 32.807 24.020 1.00 13.50 H new ATOM 0 HG3 PRO A 177 34.118 33.185 23.988 1.00 13.50 H new ATOM 0 HD2 PRO A 177 35.410 31.688 26.080 1.00 11.60 H new ATOM 0 HD3 PRO A 177 34.495 32.932 26.294 1.00 11.60 H new ATOM 583 N GLY A 178 32.153 28.691 23.570 1.00 10.31 N ATOM 584 CA GLY A 178 31.920 27.248 23.435 1.00 10.75 C ATOM 585 C GLY A 178 31.336 26.632 24.685 1.00 9.34 C ATOM 586 O GLY A 178 30.877 27.284 25.602 1.00 8.85 O ATOM 0 H GLY A 178 31.596 29.167 23.119 1.00 10.31 H new ATOM 0 HA2 GLY A 178 31.319 27.090 22.690 1.00 10.75 H new ATOM 0 HA3 GLY A 178 32.758 26.807 23.223 1.00 10.75 H new ATOM 587 N GLY A 179 31.292 25.285 24.856 1.00 9.06 N ATOM 588 CA GLY A 179 30.721 24.652 26.027 1.00 9.75 C ATOM 589 C GLY A 179 29.167 24.905 25.901 1.00 6.45 C ATOM 590 O GLY A 179 28.570 24.805 24.834 1.00 9.22 O ATOM 0 H GLY A 179 31.601 24.728 24.279 1.00 9.06 H new ATOM 0 HA2 GLY A 179 30.923 23.704 26.049 1.00 9.75 H new ATOM 0 HA3 GLY A 179 31.076 25.037 26.844 1.00 9.75 H new ATOM 591 N ASN A 180 28.693 25.273 27.061 1.00 8.08 N ATOM 592 CA ASN A 180 27.238 25.537 27.166 1.00 8.52 C ATOM 593 C ASN A 180 26.967 26.854 26.441 1.00 8.29 C ATOM 594 O ASN A 180 27.618 27.908 26.639 1.00 8.21 O ATOM 595 CB ASN A 180 26.919 25.723 28.641 1.00 9.16 C ATOM 596 CG ASN A 180 25.404 25.965 28.748 1.00 28.15 C ATOM 597 OD1 ASN A 180 24.864 27.017 29.182 1.00 32.81 O ATOM 598 ND2 ASN A 180 24.733 24.906 28.261 1.00 32.85 N ATOM 0 H ASN A 180 29.151 25.379 27.781 1.00 8.08 H new ATOM 0 HA ASN A 180 26.708 24.818 26.787 1.00 8.52 H new ATOM 0 HB2 ASN A 180 27.178 24.938 29.149 1.00 9.16 H new ATOM 0 HB3 ASN A 180 27.413 26.474 29.007 1.00 9.16 H new ATOM 0 HD21 ASN A 180 23.874 24.918 28.231 1.00 32.85 H new ATOM 0 HD22 ASN A 180 25.163 24.217 27.980 1.00 32.85 H new ATOM 599 N LEU A 181 25.958 26.804 25.580 1.00 3.86 N ATOM 600 CA LEU A 181 25.639 28.027 24.858 1.00 3.66 C ATOM 601 C LEU A 181 24.527 28.906 25.405 1.00 3.04 C ATOM 602 O LEU A 181 24.505 30.121 25.146 1.00 4.51 O ATOM 603 CB LEU A 181 25.108 27.628 23.414 1.00 4.62 C ATOM 604 CG LEU A 181 26.005 26.661 22.643 1.00 3.75 C ATOM 605 CD1 LEU A 181 25.576 26.169 21.282 1.00 6.77 C ATOM 606 CD2 LEU A 181 27.377 27.386 22.393 1.00 8.51 C ATOM 0 H LEU A 181 25.471 26.117 25.406 1.00 3.86 H new ATOM 0 HA LEU A 181 26.468 28.529 24.909 1.00 3.66 H new ATOM 0 HB2 LEU A 181 24.229 27.229 23.506 1.00 4.62 H new ATOM 0 HB3 LEU A 181 24.999 28.436 22.889 1.00 4.62 H new ATOM 0 HG LEU A 181 26.003 25.875 23.212 1.00 3.75 H new ATOM 0 HD11 LEU A 181 26.249 25.567 20.928 1.00 6.77 H new ATOM 0 HD12 LEU A 181 24.731 25.699 21.359 1.00 6.77 H new ATOM 0 HD13 LEU A 181 25.471 26.925 20.683 1.00 6.77 H new ATOM 0 HD21 LEU A 181 27.971 26.795 21.904 1.00 8.51 H new ATOM 0 HD22 LEU A 181 27.227 28.194 21.877 1.00 8.51 H new ATOM 0 HD23 LEU A 181 27.781 27.617 23.244 1.00 8.51 H new ATOM 607 N ALA A 182 23.620 28.249 26.104 1.00 4.71 N ATOM 608 CA ALA A 182 22.415 28.961 26.647 1.00 3.87 C ATOM 609 C ALA A 182 21.748 27.953 27.568 1.00 3.55 C ATOM 610 O ALA A 182 22.011 26.745 27.581 1.00 3.00 O ATOM 611 CB ALA A 182 21.444 29.263 25.471 1.00 5.30 C ATOM 0 H ALA A 182 23.658 27.409 26.286 1.00 4.71 H new ATOM 0 HA ALA A 182 22.644 29.789 27.097 1.00 3.87 H new ATOM 0 HB1 ALA A 182 20.660 29.724 25.809 1.00 5.30 H new ATOM 0 HB2 ALA A 182 21.891 29.823 24.818 1.00 5.30 H new ATOM 0 HB3 ALA A 182 21.174 28.431 25.052 1.00 5.30 H new ATOM 612 N HIS A 183 20.846 28.477 28.405 1.00 2.65 N ATOM 613 CA HIS A 183 20.047 27.596 29.314 1.00 1.90 C ATOM 614 C HIS A 183 18.703 28.239 29.569 1.00 3.45 C ATOM 615 O HIS A 183 18.539 29.460 29.341 1.00 5.03 O ATOM 616 CB HIS A 183 20.716 27.226 30.606 1.00 5.11 C ATOM 617 CG HIS A 183 21.264 28.308 31.426 1.00 6.45 C ATOM 618 ND1 HIS A 183 22.588 28.421 31.868 1.00 10.60 N ATOM 619 CD2 HIS A 183 20.765 29.470 31.896 1.00 5.68 C ATOM 620 CE1 HIS A 183 22.640 29.557 32.537 1.00 9.74 C ATOM 621 NE2 HIS A 183 21.519 30.319 32.646 1.00 6.08 N ATOM 0 H HIS A 183 20.674 29.317 28.472 1.00 2.65 H new ATOM 0 HA HIS A 183 19.948 26.751 28.849 1.00 1.90 H new ATOM 0 HB2 HIS A 183 20.073 26.739 31.146 1.00 5.11 H new ATOM 0 HB3 HIS A 183 21.438 26.611 30.402 1.00 5.11 H new ATOM 0 HD1 HIS A 183 23.231 27.867 31.732 1.00 10.60 H new ATOM 0 HD2 HIS A 183 19.884 29.696 31.703 1.00 5.68 H new ATOM 0 HE1 HIS A 183 23.436 29.834 32.930 1.00 9.74 H new ATOM 622 N ALA A 184 17.755 27.435 30.050 1.00 3.56 N ATOM 623 CA ALA A 184 16.401 28.051 30.290 1.00 1.33 C ATOM 624 C ALA A 184 15.822 27.317 31.517 1.00 4.41 C ATOM 625 O ALA A 184 16.222 26.180 31.816 1.00 7.80 O ATOM 626 CB ALA A 184 15.595 28.012 29.043 1.00 6.58 C ATOM 0 H ALA A 184 17.839 26.600 30.237 1.00 3.56 H new ATOM 0 HA ALA A 184 16.421 28.997 30.501 1.00 1.33 H new ATOM 0 HB1 ALA A 184 14.726 28.410 29.207 1.00 6.58 H new ATOM 0 HB2 ALA A 184 16.052 28.509 28.346 1.00 6.58 H new ATOM 0 HB3 ALA A 184 15.480 27.091 28.760 1.00 6.58 H new ATOM 627 N PHE A 185 14.780 28.030 32.025 1.00 6.10 N ATOM 628 CA PHE A 185 14.153 27.415 33.238 1.00 4.65 C ATOM 629 C PHE A 185 12.736 26.885 32.940 1.00 7.15 C ATOM 630 O PHE A 185 12.084 27.583 32.197 1.00 7.26 O ATOM 631 CB PHE A 185 14.133 28.512 34.338 1.00 6.30 C ATOM 632 CG PHE A 185 15.578 28.918 34.673 1.00 8.36 C ATOM 633 CD1 PHE A 185 16.264 28.109 35.551 1.00 10.93 C ATOM 634 CD2 PHE A 185 16.198 30.021 34.126 1.00 8.79 C ATOM 635 CE1 PHE A 185 17.587 28.380 35.924 1.00 17.30 C ATOM 636 CE2 PHE A 185 17.528 30.310 34.461 1.00 10.67 C ATOM 637 CZ PHE A 185 18.183 29.501 35.359 1.00 14.58 C ATOM 0 H PHE A 185 14.455 28.771 31.733 1.00 6.10 H new ATOM 0 HA PHE A 185 14.664 26.645 33.532 1.00 4.65 H new ATOM 0 HB2 PHE A 185 13.631 29.284 34.031 1.00 6.30 H new ATOM 0 HB3 PHE A 185 13.686 28.181 35.133 1.00 6.30 H new ATOM 0 HD1 PHE A 185 15.838 27.363 35.906 1.00 10.93 H new ATOM 0 HD2 PHE A 185 15.735 30.572 33.537 1.00 8.79 H new ATOM 0 HE1 PHE A 185 18.045 27.835 36.522 1.00 17.30 H new ATOM 0 HE2 PHE A 185 17.962 31.040 34.081 1.00 10.67 H new ATOM 0 HZ PHE A 185 19.057 29.712 35.597 1.00 14.58 H new ATOM 638 N GLN A 186 12.357 25.775 33.519 1.00 8.46 N ATOM 639 CA GLN A 186 11.004 25.207 33.289 1.00 8.56 C ATOM 640 C GLN A 186 9.968 26.195 33.839 1.00 10.62 C ATOM 641 O GLN A 186 10.262 27.077 34.674 1.00 9.59 O ATOM 642 CB GLN A 186 10.994 23.911 34.161 1.00 10.65 C ATOM 643 CG GLN A 186 12.078 22.942 33.720 1.00 23.53 C ATOM 644 CD GLN A 186 11.819 22.364 32.348 1.00 28.90 C ATOM 645 OE1 GLN A 186 10.774 21.726 32.194 1.00 35.91 O ATOM 646 NE2 GLN A 186 12.708 22.576 31.373 1.00 30.94 N ATOM 0 H GLN A 186 12.851 25.317 34.053 1.00 8.46 H new ATOM 0 HA GLN A 186 10.805 25.035 32.355 1.00 8.56 H new ATOM 0 HB2 GLN A 186 11.126 24.145 35.093 1.00 10.65 H new ATOM 0 HB3 GLN A 186 10.127 23.481 34.096 1.00 10.65 H new ATOM 0 HG2 GLN A 186 12.934 23.399 33.718 1.00 23.53 H new ATOM 0 HG3 GLN A 186 12.143 22.220 34.364 1.00 23.53 H new ATOM 0 HE21 GLN A 186 13.422 23.028 31.533 1.00 30.94 H new ATOM 0 HE22 GLN A 186 12.566 22.260 30.586 1.00 30.94 H new ATOM 647 N PRO A 187 8.730 25.999 33.360 1.00 9.70 N ATOM 648 CA PRO A 187 7.667 26.915 33.826 1.00 10.73 C ATOM 649 C PRO A 187 7.513 26.928 35.353 1.00 11.84 C ATOM 650 O PRO A 187 7.698 25.922 36.046 1.00 13.84 O ATOM 651 CB PRO A 187 6.454 26.283 33.183 1.00 10.07 C ATOM 652 CG PRO A 187 6.959 25.566 31.958 1.00 7.49 C ATOM 653 CD PRO A 187 8.337 24.991 32.391 1.00 7.84 C ATOM 0 HA PRO A 187 7.833 27.843 33.597 1.00 10.73 H new ATOM 0 HB2 PRO A 187 6.020 25.666 33.792 1.00 10.07 H new ATOM 0 HB3 PRO A 187 5.797 26.956 32.945 1.00 10.07 H new ATOM 0 HG2 PRO A 187 6.351 24.861 31.685 1.00 7.49 H new ATOM 0 HG3 PRO A 187 7.049 26.171 31.205 1.00 7.49 H new ATOM 0 HD2 PRO A 187 8.264 24.107 32.783 1.00 7.84 H new ATOM 0 HD3 PRO A 187 8.961 24.923 31.651 1.00 7.84 H new ATOM 654 N GLY A 188 7.228 28.146 35.795 1.00 15.61 N ATOM 655 CA GLY A 188 7.077 28.347 37.247 1.00 17.08 C ATOM 656 C GLY A 188 7.125 29.843 37.477 1.00 19.12 C ATOM 657 O GLY A 188 7.226 30.719 36.600 1.00 18.22 O ATOM 0 H GLY A 188 7.121 28.845 35.305 1.00 15.61 H new ATOM 0 HA2 GLY A 188 6.238 27.975 37.562 1.00 17.08 H new ATOM 0 HA3 GLY A 188 7.787 27.899 37.734 1.00 17.08 H new ATOM 658 N PRO A 189 7.018 30.146 38.787 1.00 22.87 N ATOM 659 CA PRO A 189 7.057 31.576 39.189 1.00 22.78 C ATOM 660 C PRO A 189 8.515 32.056 39.183 1.00 22.63 C ATOM 661 O PRO A 189 9.430 31.228 39.037 1.00 19.95 O ATOM 662 CB PRO A 189 6.414 31.477 40.565 1.00 23.58 C ATOM 663 CG PRO A 189 6.921 30.160 41.114 1.00 25.36 C ATOM 664 CD PRO A 189 6.906 29.211 39.912 1.00 23.83 C ATOM 0 HA PRO A 189 6.605 32.220 38.622 1.00 22.78 H new ATOM 0 HB2 PRO A 189 6.672 32.221 41.132 1.00 23.58 H new ATOM 0 HB3 PRO A 189 5.446 31.488 40.506 1.00 23.58 H new ATOM 0 HG2 PRO A 189 7.814 30.251 41.481 1.00 25.36 H new ATOM 0 HG3 PRO A 189 6.353 29.833 41.829 1.00 25.36 H new ATOM 0 HD2 PRO A 189 7.644 28.582 39.936 1.00 23.83 H new ATOM 0 HD3 PRO A 189 6.089 28.689 39.871 1.00 23.83 H new ATOM 665 N GLY A 190 8.665 33.356 39.327 1.00 20.10 N ATOM 666 CA GLY A 190 9.995 33.989 39.369 1.00 18.46 C ATOM 667 C GLY A 190 10.784 33.862 38.063 1.00 12.76 C ATOM 668 O GLY A 190 10.277 34.412 37.091 1.00 17.61 O ATOM 0 H GLY A 190 8.009 33.907 39.404 1.00 20.10 H new ATOM 0 HA2 GLY A 190 9.889 34.929 39.583 1.00 18.46 H new ATOM 0 HA3 GLY A 190 10.510 33.591 40.088 1.00 18.46 H new ATOM 669 N ILE A 191 11.907 33.176 38.197 1.00 17.19 N ATOM 670 CA ILE A 191 12.751 33.002 36.999 1.00 13.32 C ATOM 671 C ILE A 191 12.193 31.893 36.137 1.00 10.64 C ATOM 672 O ILE A 191 12.671 31.758 35.010 1.00 9.23 O ATOM 673 CB ILE A 191 14.199 32.654 37.518 1.00 14.88 C ATOM 674 CG1 ILE A 191 15.354 32.868 36.525 1.00 24.44 C ATOM 675 CG2 ILE A 191 14.256 31.199 38.049 1.00 15.62 C ATOM 676 CD1 ILE A 191 16.646 32.242 37.176 1.00 30.40 C ATOM 0 H ILE A 191 12.197 32.817 38.923 1.00 17.19 H new ATOM 0 HA ILE A 191 12.773 33.803 36.453 1.00 13.32 H new ATOM 0 HB ILE A 191 14.345 33.302 38.225 1.00 14.88 H new ATOM 0 HG12 ILE A 191 15.158 32.444 35.675 1.00 24.44 H new ATOM 0 HG13 ILE A 191 15.483 33.813 36.347 1.00 24.44 H new ATOM 0 HG21 ILE A 191 15.153 31.004 38.363 1.00 15.62 H new ATOM 0 HG22 ILE A 191 13.628 31.097 38.781 1.00 15.62 H new ATOM 0 HG23 ILE A 191 14.023 30.585 37.335 1.00 15.62 H new ATOM 0 HD11 ILE A 191 17.399 32.358 36.576 1.00 30.40 H new ATOM 0 HD12 ILE A 191 16.832 32.686 38.018 1.00 30.40 H new ATOM 0 HD13 ILE A 191 16.503 31.296 37.335 1.00 30.40 H new ATOM 677 N GLY A 192 11.185 31.114 36.510 1.00 12.82 N ATOM 678 CA GLY A 192 10.635 30.042 35.662 1.00 9.23 C ATOM 679 C GLY A 192 10.279 30.605 34.312 1.00 5.02 C ATOM 680 O GLY A 192 9.678 31.709 34.224 1.00 9.86 O ATOM 0 H GLY A 192 10.791 31.188 37.271 1.00 12.82 H new ATOM 0 HA2 GLY A 192 11.284 29.328 35.565 1.00 9.23 H new ATOM 0 HA3 GLY A 192 9.849 29.656 36.080 1.00 9.23 H new ATOM 681 N GLY A 193 10.651 29.868 33.244 1.00 5.92 N ATOM 682 CA GLY A 193 10.419 30.239 31.872 1.00 6.49 C ATOM 683 C GLY A 193 11.569 31.082 31.252 1.00 5.89 C ATOM 684 O GLY A 193 11.538 31.197 30.026 1.00 6.46 O ATOM 0 H GLY A 193 11.059 29.115 33.324 1.00 5.92 H new ATOM 0 HA2 GLY A 193 10.297 29.435 31.344 1.00 6.49 H new ATOM 0 HA3 GLY A 193 9.592 30.743 31.817 1.00 6.49 H new ATOM 685 N ASP A 194 12.400 31.696 32.040 1.00 5.24 N ATOM 686 CA ASP A 194 13.435 32.578 31.506 1.00 4.35 C ATOM 687 C ASP A 194 14.481 31.833 30.664 1.00 4.43 C ATOM 688 O ASP A 194 14.761 30.669 30.964 1.00 6.64 O ATOM 689 CB ASP A 194 14.073 33.371 32.633 1.00 5.47 C ATOM 690 CG ASP A 194 13.138 34.453 33.207 1.00 7.29 C ATOM 691 OD1 ASP A 194 11.997 34.569 32.661 1.00 9.19 O ATOM 692 OD2 ASP A 194 13.635 35.123 34.134 1.00 10.67 O ATOM 0 H ASP A 194 12.395 31.626 32.897 1.00 5.24 H new ATOM 0 HA ASP A 194 13.006 33.197 30.895 1.00 4.35 H new ATOM 0 HB2 ASP A 194 14.332 32.764 33.344 1.00 5.47 H new ATOM 0 HB3 ASP A 194 14.885 33.791 32.308 1.00 5.47 H new ATOM 693 N ALA A 195 14.983 32.475 29.691 1.00 4.79 N ATOM 694 CA ALA A 195 16.000 31.939 28.761 1.00 3.43 C ATOM 695 C ALA A 195 17.210 32.891 28.766 1.00 2.89 C ATOM 696 O ALA A 195 17.048 34.080 28.535 1.00 4.57 O ATOM 697 CB ALA A 195 15.444 31.730 27.353 1.00 5.96 C ATOM 0 H ALA A 195 14.756 33.284 29.508 1.00 4.79 H new ATOM 0 HA ALA A 195 16.277 31.060 29.062 1.00 3.43 H new ATOM 0 HB1 ALA A 195 16.142 31.379 26.778 1.00 5.96 H new ATOM 0 HB2 ALA A 195 14.706 31.101 27.386 1.00 5.96 H new ATOM 0 HB3 ALA A 195 15.131 32.577 27.000 1.00 5.96 H new ATOM 698 N HIS A 196 18.398 32.336 28.978 1.00 3.56 N ATOM 699 CA HIS A 196 19.673 33.127 29.042 1.00 3.49 C ATOM 700 C HIS A 196 20.564 32.555 27.963 1.00 1.42 C ATOM 701 O HIS A 196 20.759 31.365 27.801 1.00 3.63 O ATOM 702 CB HIS A 196 20.361 32.861 30.420 1.00 6.30 C ATOM 703 CG HIS A 196 19.567 33.414 31.578 1.00 4.93 C ATOM 704 ND1 HIS A 196 19.827 33.108 32.910 1.00 5.19 N ATOM 705 CD2 HIS A 196 18.466 34.258 31.526 1.00 5.24 C ATOM 706 CE1 HIS A 196 18.965 33.724 33.691 1.00 8.96 C ATOM 707 NE2 HIS A 196 18.191 34.407 32.899 1.00 6.68 N ATOM 0 H HIS A 196 18.509 31.491 29.091 1.00 3.56 H new ATOM 0 HA HIS A 196 19.513 34.077 28.931 1.00 3.49 H new ATOM 0 HB2 HIS A 196 20.480 31.906 30.540 1.00 6.30 H new ATOM 0 HB3 HIS A 196 21.246 33.259 30.419 1.00 6.30 H new ATOM 0 HD2 HIS A 196 18.031 34.623 30.790 1.00 5.24 H new ATOM 0 HE1 HIS A 196 18.919 33.680 34.619 1.00 8.96 H new ATOM 0 HE2 HIS A 196 17.559 34.911 33.192 1.00 6.68 H new ATOM 708 N PHE A 197 21.143 33.436 27.164 1.00 5.10 N ATOM 709 CA PHE A 197 22.060 33.122 26.063 1.00 3.56 C ATOM 710 C PHE A 197 23.443 33.645 26.476 1.00 3.07 C ATOM 711 O PHE A 197 23.554 34.768 26.926 1.00 3.36 O ATOM 712 CB PHE A 197 21.641 33.842 24.755 1.00 3.67 C ATOM 713 CG PHE A 197 20.277 33.280 24.337 1.00 5.61 C ATOM 714 CD1 PHE A 197 19.114 33.734 24.960 1.00 10.11 C ATOM 715 CD2 PHE A 197 20.240 32.345 23.324 1.00 10.63 C ATOM 716 CE1 PHE A 197 17.906 33.197 24.593 1.00 16.26 C ATOM 717 CE2 PHE A 197 19.020 31.801 22.945 1.00 7.31 C ATOM 718 CZ PHE A 197 17.837 32.235 23.565 1.00 14.11 C ATOM 0 H PHE A 197 21.009 34.281 27.248 1.00 5.10 H new ATOM 0 HA PHE A 197 22.055 32.166 25.898 1.00 3.56 H new ATOM 0 HB2 PHE A 197 21.587 34.800 24.895 1.00 3.67 H new ATOM 0 HB3 PHE A 197 22.299 33.694 24.058 1.00 3.67 H new ATOM 0 HD1 PHE A 197 19.157 34.392 25.616 1.00 10.11 H new ATOM 0 HD2 PHE A 197 21.024 32.082 22.899 1.00 10.63 H new ATOM 0 HE1 PHE A 197 17.129 33.469 25.025 1.00 16.26 H new ATOM 0 HE2 PHE A 197 18.986 31.150 22.282 1.00 7.31 H new ATOM 0 HZ PHE A 197 17.015 31.891 23.300 1.00 14.11 H new ATOM 719 N ASP A 198 24.474 32.766 26.292 1.00 4.92 N ATOM 720 CA ASP A 198 25.847 33.186 26.693 1.00 3.89 C ATOM 721 C ASP A 198 26.372 34.235 25.682 1.00 4.59 C ATOM 722 O ASP A 198 26.585 33.917 24.496 1.00 5.53 O ATOM 723 CB ASP A 198 26.659 31.864 26.681 1.00 4.31 C ATOM 724 CG ASP A 198 28.088 32.157 27.220 1.00 7.13 C ATOM 725 OD1 ASP A 198 28.514 33.275 27.423 1.00 6.36 O ATOM 726 OD2 ASP A 198 28.748 31.125 27.440 1.00 7.12 O ATOM 0 H ASP A 198 24.405 31.976 25.959 1.00 4.92 H new ATOM 0 HA ASP A 198 25.902 33.613 27.562 1.00 3.89 H new ATOM 0 HB2 ASP A 198 26.222 31.195 27.231 1.00 4.31 H new ATOM 0 HB3 ASP A 198 26.705 31.505 25.781 1.00 4.31 H new ATOM 727 N GLU A 199 26.570 35.451 26.190 1.00 4.87 N ATOM 728 CA GLU A 199 27.054 36.583 25.378 1.00 5.93 C ATOM 729 C GLU A 199 28.490 36.403 24.872 1.00 10.13 C ATOM 730 O GLU A 199 28.871 37.076 23.913 1.00 10.30 O ATOM 731 CB GLU A 199 26.855 37.835 26.221 1.00 14.28 C ATOM 732 CG GLU A 199 27.239 39.160 25.618 1.00 28.82 C ATOM 733 CD GLU A 199 26.709 39.552 24.284 1.00 38.53 C ATOM 734 OE1 GLU A 199 25.745 39.066 23.729 1.00 44.32 O ATOM 735 OE2 GLU A 199 27.372 40.486 23.752 1.00 46.46 O ATOM 0 H GLU A 199 26.429 35.649 27.015 1.00 4.87 H new ATOM 0 HA GLU A 199 26.546 36.650 24.554 1.00 5.93 H new ATOM 0 HB2 GLU A 199 25.918 37.881 26.468 1.00 14.28 H new ATOM 0 HB3 GLU A 199 27.360 37.724 27.042 1.00 14.28 H new ATOM 0 HG2 GLU A 199 26.976 39.850 26.247 1.00 28.82 H new ATOM 0 HG3 GLU A 199 28.207 39.181 25.561 1.00 28.82 H new ATOM 736 N ASP A 200 29.211 35.507 25.457 1.00 5.49 N ATOM 737 CA ASP A 200 30.596 35.182 25.072 1.00 6.05 C ATOM 738 C ASP A 200 30.579 34.393 23.787 1.00 10.19 C ATOM 739 O ASP A 200 31.660 34.129 23.206 1.00 11.27 O ATOM 740 CB ASP A 200 31.314 34.459 26.167 1.00 6.29 C ATOM 741 CG ASP A 200 31.905 35.415 27.213 1.00 7.90 C ATOM 742 OD1 ASP A 200 32.015 36.609 26.866 1.00 13.50 O ATOM 743 OD2 ASP A 200 32.233 34.918 28.323 1.00 11.91 O ATOM 0 H ASP A 200 28.923 35.037 26.117 1.00 5.49 H new ATOM 0 HA ASP A 200 31.089 36.004 24.924 1.00 6.05 H new ATOM 0 HB2 ASP A 200 30.701 33.847 26.603 1.00 6.29 H new ATOM 0 HB3 ASP A 200 32.026 33.923 25.784 1.00 6.29 H new ATOM 744 N GLU A 201 29.473 33.873 23.273 1.00 5.89 N ATOM 745 CA GLU A 201 29.446 33.141 21.995 1.00 5.35 C ATOM 746 C GLU A 201 29.319 34.110 20.840 1.00 6.63 C ATOM 747 O GLU A 201 28.934 35.248 21.086 1.00 8.35 O ATOM 748 CB GLU A 201 28.139 32.274 21.897 1.00 6.28 C ATOM 749 CG GLU A 201 28.009 31.277 23.050 1.00 7.02 C ATOM 750 CD GLU A 201 29.177 30.387 23.327 1.00 7.10 C ATOM 751 OE1 GLU A 201 30.007 30.165 22.453 1.00 7.89 O ATOM 752 OE2 GLU A 201 29.182 29.889 24.488 1.00 8.34 O ATOM 0 H GLU A 201 28.704 33.931 23.654 1.00 5.89 H new ATOM 0 HA GLU A 201 30.258 32.611 21.957 1.00 5.35 H new ATOM 0 HB2 GLU A 201 27.366 32.860 21.891 1.00 6.28 H new ATOM 0 HB3 GLU A 201 28.136 31.792 21.055 1.00 6.28 H new ATOM 0 HG2 GLU A 201 27.816 31.777 23.858 1.00 7.02 H new ATOM 0 HG3 GLU A 201 27.239 30.714 22.874 1.00 7.02 H new ATOM 753 N ARG A 202 29.629 33.655 19.651 1.00 4.79 N ATOM 754 CA ARG A 202 29.433 34.442 18.404 1.00 5.41 C ATOM 755 C ARG A 202 28.078 33.908 17.946 1.00 7.73 C ATOM 756 O ARG A 202 27.770 32.737 17.664 1.00 7.22 O ATOM 757 CB ARG A 202 30.491 34.021 17.333 1.00 6.97 C ATOM 758 CG ARG A 202 30.158 34.708 16.032 1.00 11.35 C ATOM 759 CD ARG A 202 31.056 34.363 14.877 1.00 15.38 C ATOM 760 NE ARG A 202 30.989 32.975 14.471 1.00 13.24 N ATOM 761 CZ ARG A 202 31.780 32.210 13.787 1.00 17.78 C ATOM 762 NH1 ARG A 202 32.905 32.832 13.299 1.00 20.34 N ATOM 763 NH2 ARG A 202 31.604 30.945 13.499 1.00 13.73 N ATOM 0 H ARG A 202 29.964 32.874 19.518 1.00 4.79 H new ATOM 0 HA ARG A 202 29.499 35.402 18.527 1.00 5.41 H new ATOM 0 HB2 ARG A 202 31.382 34.267 17.625 1.00 6.97 H new ATOM 0 HB3 ARG A 202 30.487 33.058 17.216 1.00 6.97 H new ATOM 0 HG2 ARG A 202 29.245 34.487 15.790 1.00 11.35 H new ATOM 0 HG3 ARG A 202 30.190 35.667 16.172 1.00 11.35 H new ATOM 0 HD2 ARG A 202 30.823 34.923 14.120 1.00 15.38 H new ATOM 0 HD3 ARG A 202 31.971 34.576 15.117 1.00 15.38 H new ATOM 0 HE ARG A 202 30.276 32.575 14.740 1.00 13.24 H new ATOM 0 HH11 ARG A 202 33.038 33.667 13.457 1.00 20.34 H new ATOM 0 HH12 ARG A 202 33.476 32.386 12.835 1.00 20.34 H new ATOM 0 HH21 ARG A 202 30.899 30.535 13.774 1.00 13.73 H new ATOM 0 HH22 ARG A 202 32.193 30.524 13.035 1.00 13.73 H new ATOM 764 N TRP A 203 27.105 34.793 17.895 1.00 7.72 N ATOM 765 CA TRP A 203 25.682 34.590 17.495 1.00 6.07 C ATOM 766 C TRP A 203 25.530 34.994 16.042 1.00 5.72 C ATOM 767 O TRP A 203 25.901 36.130 15.675 1.00 9.45 O ATOM 768 CB TRP A 203 24.780 35.406 18.436 1.00 5.25 C ATOM 769 CG TRP A 203 24.783 34.856 19.827 1.00 4.19 C ATOM 770 CD1 TRP A 203 25.292 35.458 20.943 1.00 8.58 C ATOM 771 CD2 TRP A 203 24.376 33.527 20.220 1.00 5.03 C ATOM 772 NE1 TRP A 203 25.167 34.601 21.994 1.00 8.35 N ATOM 773 CE2 TRP A 203 24.628 33.407 21.609 1.00 5.78 C ATOM 774 CE3 TRP A 203 23.833 32.438 19.532 1.00 6.47 C ATOM 775 CZ2 TRP A 203 24.312 32.261 22.344 1.00 6.41 C ATOM 776 CZ3 TRP A 203 23.542 31.271 20.287 1.00 5.65 C ATOM 777 CH2 TRP A 203 23.812 31.196 21.645 1.00 4.96 C ATOM 0 H TRP A 203 27.252 35.613 18.110 1.00 7.72 H new ATOM 0 HA TRP A 203 25.416 33.660 17.573 1.00 6.07 H new ATOM 0 HB2 TRP A 203 25.081 36.328 18.453 1.00 5.25 H new ATOM 0 HB3 TRP A 203 23.873 35.409 18.092 1.00 5.25 H new ATOM 0 HD1 TRP A 203 25.662 36.310 20.979 1.00 8.58 H new ATOM 0 HE1 TRP A 203 25.399 34.789 22.801 1.00 8.35 H new ATOM 0 HE3 TRP A 203 23.669 32.476 18.617 1.00 6.47 H new ATOM 0 HZ2 TRP A 203 24.436 32.224 23.265 1.00 6.41 H new ATOM 0 HZ3 TRP A 203 23.161 30.538 19.860 1.00 5.65 H new ATOM 0 HH2 TRP A 203 23.648 30.398 22.094 1.00 4.96 H new ATOM 778 N THR A 204 24.974 34.105 15.215 1.00 6.15 N ATOM 779 CA THR A 204 24.794 34.372 13.806 1.00 5.86 C ATOM 780 C THR A 204 23.358 34.203 13.313 1.00 5.44 C ATOM 781 O THR A 204 22.497 33.744 14.067 1.00 7.53 O ATOM 782 CB THR A 204 25.708 33.383 12.992 1.00 7.72 C ATOM 783 OG1 THR A 204 25.004 32.114 12.995 1.00 7.19 O ATOM 784 CG2 THR A 204 27.127 33.144 13.548 1.00 10.20 C ATOM 0 H THR A 204 24.693 33.332 15.465 1.00 6.15 H new ATOM 0 HA THR A 204 25.030 35.303 13.670 1.00 5.86 H new ATOM 0 HB THR A 204 25.853 33.781 12.119 1.00 7.72 H new ATOM 0 HG1 THR A 204 25.558 31.486 12.927 1.00 7.19 H new ATOM 0 HG21 THR A 204 27.600 32.522 12.973 1.00 10.20 H new ATOM 0 HG22 THR A 204 27.609 33.985 13.579 1.00 10.20 H new ATOM 0 HG23 THR A 204 27.066 32.774 14.442 1.00 10.20 H new ATOM 785 N ASN A 205 23.222 34.574 12.046 1.00 6.60 N ATOM 786 CA ASN A 205 21.909 34.427 11.364 1.00 7.12 C ATOM 787 C ASN A 205 22.130 33.453 10.218 1.00 8.78 C ATOM 788 O ASN A 205 21.245 33.531 9.323 1.00 11.45 O ATOM 789 CB ASN A 205 21.358 35.809 11.018 1.00 18.23 C ATOM 790 CG ASN A 205 22.134 36.584 9.978 1.00 22.72 C ATOM 791 OD1 ASN A 205 23.256 36.225 9.596 1.00 27.27 O ATOM 792 ND2 ASN A 205 21.514 37.684 9.502 1.00 32.56 N ATOM 0 H ASN A 205 23.851 34.906 11.562 1.00 6.60 H new ATOM 0 HA ASN A 205 21.206 34.045 11.913 1.00 7.12 H new ATOM 0 HB2 ASN A 205 20.445 35.706 10.706 1.00 18.23 H new ATOM 0 HB3 ASN A 205 21.322 36.337 11.831 1.00 18.23 H new ATOM 0 HD21 ASN A 205 21.899 38.171 8.906 1.00 32.56 H new ATOM 0 HD22 ASN A 205 20.734 37.898 9.794 1.00 32.56 H new ATOM 793 N ASN A 206 23.165 32.618 10.226 1.00 7.89 N ATOM 794 CA ASN A 206 23.343 31.717 9.082 1.00 8.34 C ATOM 795 C ASN A 206 23.917 30.399 9.531 1.00 7.40 C ATOM 796 O ASN A 206 23.751 30.072 10.705 1.00 8.59 O ATOM 797 CB ASN A 206 24.159 32.445 8.020 1.00 8.46 C ATOM 798 CG ASN A 206 25.601 32.670 8.357 1.00 10.54 C ATOM 799 OD1 ASN A 206 26.345 33.051 7.298 1.00 14.23 O ATOM 800 ND2 ASN A 206 26.062 32.508 9.506 1.00 12.05 N ATOM 0 H ASN A 206 23.753 32.554 10.851 1.00 7.89 H new ATOM 0 HA ASN A 206 22.494 31.486 8.675 1.00 8.34 H new ATOM 0 HB2 ASN A 206 24.111 31.939 7.194 1.00 8.46 H new ATOM 0 HB3 ASN A 206 23.745 33.305 7.849 1.00 8.46 H new ATOM 0 HD21 ASN A 206 26.898 32.641 9.656 1.00 12.05 H new ATOM 0 HD22 ASN A 206 25.543 32.264 10.147 1.00 12.05 H new ATOM 801 N PHE A 207 24.652 29.714 8.669 1.00 6.21 N ATOM 802 CA PHE A 207 25.185 28.400 9.015 1.00 5.31 C ATOM 803 C PHE A 207 26.412 28.374 9.936 1.00 8.12 C ATOM 804 O PHE A 207 26.782 27.329 10.474 1.00 11.00 O ATOM 805 CB PHE A 207 25.401 27.678 7.662 1.00 8.92 C ATOM 806 CG PHE A 207 26.530 28.316 6.841 1.00 6.22 C ATOM 807 CD1 PHE A 207 27.817 27.793 7.171 1.00 9.16 C ATOM 808 CD2 PHE A 207 26.373 29.297 5.851 1.00 9.28 C ATOM 809 CE1 PHE A 207 28.908 28.313 6.496 1.00 11.70 C ATOM 810 CE2 PHE A 207 27.472 29.820 5.186 1.00 17.47 C ATOM 811 CZ PHE A 207 28.735 29.306 5.529 1.00 14.91 C ATOM 0 H PHE A 207 24.855 29.988 7.880 1.00 6.21 H new ATOM 0 HA PHE A 207 24.548 27.937 9.581 1.00 5.31 H new ATOM 0 HB2 PHE A 207 25.609 26.745 7.824 1.00 8.92 H new ATOM 0 HB3 PHE A 207 24.578 27.701 7.150 1.00 8.92 H new ATOM 0 HD1 PHE A 207 27.918 27.129 7.814 1.00 9.16 H new ATOM 0 HD2 PHE A 207 25.520 29.601 5.638 1.00 9.28 H new ATOM 0 HE1 PHE A 207 29.762 27.999 6.688 1.00 11.70 H new ATOM 0 HE2 PHE A 207 27.378 30.483 4.540 1.00 17.47 H new ATOM 0 HZ PHE A 207 29.486 29.641 5.094 1.00 14.91 H new ATOM 812 N ARG A 208 27.021 29.579 10.083 1.00 7.43 N ATOM 813 CA ARG A 208 28.240 29.675 10.944 1.00 9.39 C ATOM 814 C ARG A 208 27.831 29.504 12.391 1.00 7.62 C ATOM 815 O ARG A 208 26.724 29.920 12.825 1.00 8.29 O ATOM 816 CB ARG A 208 29.009 30.979 10.758 1.00 13.43 C ATOM 817 CG ARG A 208 29.583 30.997 9.334 1.00 23.03 C ATOM 818 CD ARG A 208 30.503 32.184 9.065 1.00 32.81 C ATOM 819 NE ARG A 208 30.319 32.265 7.593 1.00 45.31 N ATOM 820 CZ ARG A 208 29.307 32.989 7.103 1.00 50.44 C ATOM 821 NH1 ARG A 208 28.604 33.902 7.768 1.00 56.41 N ATOM 822 NH2 ARG A 208 28.803 32.681 5.906 1.00 52.87 N ATOM 0 H ARG A 208 26.764 30.314 9.717 1.00 7.43 H new ATOM 0 HA ARG A 208 28.847 28.968 10.674 1.00 9.39 H new ATOM 0 HB2 ARG A 208 28.424 31.740 10.897 1.00 13.43 H new ATOM 0 HB3 ARG A 208 29.723 31.047 11.411 1.00 13.43 H new ATOM 0 HG2 ARG A 208 30.074 30.175 9.180 1.00 23.03 H new ATOM 0 HG3 ARG A 208 28.851 31.013 8.698 1.00 23.03 H new ATOM 0 HD2 ARG A 208 30.223 32.991 9.526 1.00 32.81 H new ATOM 0 HD3 ARG A 208 31.423 32.015 9.322 1.00 32.81 H new ATOM 0 HE ARG A 208 30.856 31.852 7.063 1.00 45.31 H new ATOM 0 HH11 ARG A 208 28.787 34.070 8.591 1.00 56.41 H new ATOM 0 HH12 ARG A 208 27.966 34.324 7.375 1.00 56.41 H new ATOM 0 HH21 ARG A 208 29.129 32.023 5.459 1.00 52.87 H new ATOM 0 HH22 ARG A 208 28.152 33.141 5.582 1.00 52.87 H new ATOM 823 N GLU A 209 28.645 28.864 13.199 1.00 8.47 N ATOM 824 CA GLU A 209 28.293 28.640 14.601 1.00 9.14 C ATOM 825 C GLU A 209 28.300 29.948 15.364 1.00 9.46 C ATOM 826 O GLU A 209 29.251 30.737 15.263 1.00 8.00 O ATOM 827 CB GLU A 209 29.384 27.781 15.262 1.00 8.03 C ATOM 828 CG GLU A 209 29.291 26.379 14.673 1.00 9.27 C ATOM 829 CD GLU A 209 30.278 25.354 15.161 1.00 24.81 C ATOM 830 OE1 GLU A 209 31.328 25.848 15.652 1.00 25.26 O ATOM 831 OE2 GLU A 209 29.997 24.166 15.033 1.00 29.71 O ATOM 0 H GLU A 209 29.409 28.547 12.965 1.00 8.47 H new ATOM 0 HA GLU A 209 27.419 28.220 14.624 1.00 9.14 H new ATOM 0 HB2 GLU A 209 30.261 28.161 15.099 1.00 8.03 H new ATOM 0 HB3 GLU A 209 29.260 27.755 16.224 1.00 8.03 H new ATOM 0 HG2 GLU A 209 28.398 26.041 14.845 1.00 9.27 H new ATOM 0 HG3 GLU A 209 29.386 26.452 13.710 1.00 9.27 H new ATOM 832 N TYR A 210 27.325 30.285 16.185 1.00 4.90 N ATOM 833 CA TYR A 210 26.111 29.468 16.463 1.00 3.89 C ATOM 834 C TYR A 210 24.888 30.347 16.079 1.00 4.79 C ATOM 835 O TYR A 210 24.755 31.500 16.393 1.00 4.76 O ATOM 836 CB TYR A 210 26.021 29.183 17.974 1.00 6.31 C ATOM 837 CG TYR A 210 27.173 28.287 18.382 1.00 3.92 C ATOM 838 CD1 TYR A 210 27.064 26.939 18.126 1.00 5.08 C ATOM 839 CD2 TYR A 210 28.315 28.818 18.982 1.00 7.51 C ATOM 840 CE1 TYR A 210 28.123 26.043 18.462 1.00 7.06 C ATOM 841 CE2 TYR A 210 29.326 27.948 19.337 1.00 6.93 C ATOM 842 CZ TYR A 210 29.246 26.619 19.065 1.00 7.47 C ATOM 843 OH TYR A 210 30.290 25.799 19.446 1.00 14.47 O ATOM 0 H TYR A 210 27.334 31.024 16.624 1.00 4.90 H new ATOM 0 HA TYR A 210 26.138 28.633 15.971 1.00 3.89 H new ATOM 0 HB2 TYR A 210 26.051 30.014 18.473 1.00 6.31 H new ATOM 0 HB3 TYR A 210 25.175 28.757 18.184 1.00 6.31 H new ATOM 0 HD1 TYR A 210 26.291 26.608 17.729 1.00 5.08 H new ATOM 0 HD2 TYR A 210 28.393 29.731 19.138 1.00 7.51 H new ATOM 0 HE1 TYR A 210 28.070 25.131 18.290 1.00 7.06 H new ATOM 0 HE2 TYR A 210 30.079 28.279 19.772 1.00 6.93 H new ATOM 0 HH TYR A 210 30.899 26.263 19.792 1.00 14.47 H new ATOM 844 N ASN A 211 24.000 29.687 15.352 1.00 4.74 N ATOM 845 CA ASN A 211 22.748 30.287 14.835 1.00 5.33 C ATOM 846 C ASN A 211 21.795 30.586 16.043 1.00 4.41 C ATOM 847 O ASN A 211 21.370 29.649 16.770 1.00 5.28 O ATOM 848 CB ASN A 211 22.137 29.389 13.807 1.00 5.98 C ATOM 849 CG ASN A 211 20.942 29.971 13.097 1.00 8.51 C ATOM 850 OD1 ASN A 211 19.800 29.910 13.686 1.00 7.17 O ATOM 851 ND2 ASN A 211 21.154 30.587 11.946 1.00 10.22 N ATOM 0 H ASN A 211 24.098 28.861 15.134 1.00 4.74 H new ATOM 0 HA ASN A 211 22.925 31.129 14.388 1.00 5.33 H new ATOM 0 HB2 ASN A 211 22.812 29.165 13.148 1.00 5.98 H new ATOM 0 HB3 ASN A 211 21.872 28.560 14.235 1.00 5.98 H new ATOM 0 HD21 ASN A 211 20.504 30.981 11.543 1.00 10.22 H new ATOM 0 HD22 ASN A 211 21.942 30.594 11.601 1.00 10.22 H new ATOM 852 N LEU A 212 21.488 31.849 16.215 1.00 5.11 N ATOM 853 CA LEU A 212 20.646 32.248 17.366 1.00 4.15 C ATOM 854 C LEU A 212 19.259 31.633 17.250 1.00 4.62 C ATOM 855 O LEU A 212 18.756 31.164 18.285 1.00 6.65 O ATOM 856 CB LEU A 212 20.539 33.788 17.345 1.00 5.79 C ATOM 857 CG LEU A 212 19.721 34.303 18.522 1.00 4.36 C ATOM 858 CD1 LEU A 212 20.075 33.965 19.939 1.00 8.19 C ATOM 859 CD2 LEU A 212 19.707 35.855 18.490 1.00 6.67 C ATOM 0 H LEU A 212 21.740 32.492 15.702 1.00 5.11 H new ATOM 0 HA LEU A 212 21.041 31.938 18.196 1.00 4.15 H new ATOM 0 HB2 LEU A 212 21.428 34.176 17.372 1.00 5.79 H new ATOM 0 HB3 LEU A 212 20.129 34.074 16.514 1.00 5.79 H new ATOM 0 HG LEU A 212 18.891 33.829 18.357 1.00 4.36 H new ATOM 0 HD11 LEU A 212 19.439 34.384 20.540 1.00 8.19 H new ATOM 0 HD12 LEU A 212 20.047 33.003 20.059 1.00 8.19 H new ATOM 0 HD13 LEU A 212 20.968 34.289 20.136 1.00 8.19 H new ATOM 0 HD21 LEU A 212 19.187 36.190 19.238 1.00 6.67 H new ATOM 0 HD22 LEU A 212 20.616 36.188 18.554 1.00 6.67 H new ATOM 0 HD23 LEU A 212 19.309 36.158 17.659 1.00 6.67 H new ATOM 860 N HIS A 213 18.697 31.734 16.046 1.00 4.89 N ATOM 861 CA HIS A 213 17.284 31.171 15.974 1.00 3.80 C ATOM 862 C HIS A 213 17.246 29.726 16.372 1.00 5.19 C ATOM 863 O HIS A 213 16.347 29.232 17.117 1.00 5.48 O ATOM 864 CB HIS A 213 16.864 31.361 14.502 1.00 5.46 C ATOM 865 CG HIS A 213 15.560 30.669 14.201 1.00 5.73 C ATOM 866 ND1 HIS A 213 14.381 30.992 14.852 1.00 8.45 N ATOM 867 CD2 HIS A 213 15.278 29.691 13.314 1.00 9.80 C ATOM 868 CE1 HIS A 213 13.410 30.224 14.349 1.00 9.66 C ATOM 869 NE2 HIS A 213 13.918 29.443 13.431 1.00 9.82 N ATOM 0 H HIS A 213 19.036 32.071 15.331 1.00 4.89 H new ATOM 0 HA HIS A 213 16.682 31.621 16.587 1.00 3.80 H new ATOM 0 HB2 HIS A 213 16.780 32.308 14.309 1.00 5.46 H new ATOM 0 HB3 HIS A 213 17.557 31.013 13.920 1.00 5.46 H new ATOM 0 HD1 HIS A 213 14.290 31.582 15.471 1.00 8.45 H new ATOM 0 HD2 HIS A 213 15.875 29.268 12.740 1.00 9.80 H new ATOM 0 HE1 HIS A 213 12.517 30.242 14.610 1.00 9.66 H new ATOM 870 N ARG A 214 18.207 28.931 15.893 1.00 4.53 N ATOM 871 CA ARG A 214 18.292 27.501 16.204 1.00 3.89 C ATOM 872 C ARG A 214 18.414 27.262 17.686 1.00 1.74 C ATOM 873 O ARG A 214 17.772 26.375 18.275 1.00 5.58 O ATOM 874 CB ARG A 214 19.517 26.894 15.444 1.00 3.99 C ATOM 875 CG ARG A 214 19.712 25.472 15.956 1.00 6.65 C ATOM 876 CD ARG A 214 18.576 24.531 15.603 1.00 4.66 C ATOM 877 NE ARG A 214 18.825 23.096 15.834 1.00 4.68 N ATOM 878 CZ ARG A 214 18.747 22.529 17.025 1.00 6.65 C ATOM 879 NH1 ARG A 214 18.273 23.169 18.080 1.00 8.71 N ATOM 880 NH2 ARG A 214 19.080 21.247 17.264 1.00 8.10 N ATOM 0 H ARG A 214 18.833 29.210 15.374 1.00 4.53 H new ATOM 0 HA ARG A 214 17.475 27.066 15.914 1.00 3.89 H new ATOM 0 HB2 ARG A 214 19.359 26.894 14.487 1.00 3.99 H new ATOM 0 HB3 ARG A 214 20.313 27.425 15.600 1.00 3.99 H new ATOM 0 HG2 ARG A 214 20.539 25.117 15.593 1.00 6.65 H new ATOM 0 HG3 ARG A 214 19.813 25.496 16.920 1.00 6.65 H new ATOM 0 HD2 ARG A 214 17.794 24.791 16.115 1.00 4.66 H new ATOM 0 HD3 ARG A 214 18.356 24.656 14.666 1.00 4.66 H new ATOM 0 HE ARG A 214 19.031 22.604 15.160 1.00 4.68 H new ATOM 0 HH11 ARG A 214 18.003 23.982 18.004 1.00 8.71 H new ATOM 0 HH12 ARG A 214 18.235 22.773 18.842 1.00 8.71 H new ATOM 0 HH21 ARG A 214 19.362 20.749 16.622 1.00 8.10 H new ATOM 0 HH22 ARG A 214 19.011 20.926 18.059 1.00 8.10 H new ATOM 881 N VAL A 215 19.246 27.962 18.437 1.00 1.98 N ATOM 882 CA VAL A 215 19.414 27.856 19.890 1.00 1.02 C ATOM 883 C VAL A 215 18.090 28.375 20.602 1.00 3.53 C ATOM 884 O VAL A 215 17.785 27.665 21.596 1.00 2.57 O ATOM 885 CB VAL A 215 20.682 28.622 20.343 1.00 2.56 C ATOM 886 CG1 VAL A 215 20.869 28.569 21.862 1.00 6.05 C ATOM 887 CG2 VAL A 215 21.936 28.058 19.637 1.00 2.81 C ATOM 0 H VAL A 215 19.767 28.555 18.095 1.00 1.98 H new ATOM 0 HA VAL A 215 19.547 26.931 20.150 1.00 1.02 H new ATOM 0 HB VAL A 215 20.563 29.551 20.091 1.00 2.56 H new ATOM 0 HG11 VAL A 215 21.670 29.058 22.107 1.00 6.05 H new ATOM 0 HG12 VAL A 215 20.100 28.970 22.297 1.00 6.05 H new ATOM 0 HG13 VAL A 215 20.955 27.645 22.146 1.00 6.05 H new ATOM 0 HG21 VAL A 215 22.720 28.547 19.931 1.00 2.81 H new ATOM 0 HG22 VAL A 215 22.039 27.120 19.860 1.00 2.81 H new ATOM 0 HG23 VAL A 215 21.837 28.153 18.677 1.00 2.81 H new ATOM 888 N ALA A 216 17.590 29.506 20.084 1.00 5.02 N ATOM 889 CA ALA A 216 16.360 30.006 20.798 1.00 5.53 C ATOM 890 C ALA A 216 15.258 28.962 20.711 1.00 5.59 C ATOM 891 O ALA A 216 14.533 28.789 21.687 1.00 4.34 O ATOM 892 CB ALA A 216 15.979 31.296 20.082 1.00 3.92 C ATOM 0 H ALA A 216 17.884 29.959 19.415 1.00 5.02 H new ATOM 0 HA ALA A 216 16.510 30.168 21.743 1.00 5.53 H new ATOM 0 HB1 ALA A 216 15.187 31.674 20.495 1.00 3.92 H new ATOM 0 HB2 ALA A 216 16.710 31.930 20.146 1.00 3.92 H new ATOM 0 HB3 ALA A 216 15.797 31.106 19.148 1.00 3.92 H new ATOM 893 N ALA A 217 15.122 28.272 19.602 1.00 4.06 N ATOM 894 CA ALA A 217 14.074 27.252 19.436 1.00 2.85 C ATOM 895 C ALA A 217 14.237 26.137 20.463 1.00 6.34 C ATOM 896 O ALA A 217 13.262 25.732 21.065 1.00 5.77 O ATOM 897 CB ALA A 217 14.065 26.794 18.029 1.00 6.05 C ATOM 0 H ALA A 217 15.628 28.371 18.914 1.00 4.06 H new ATOM 0 HA ALA A 217 13.197 27.627 19.613 1.00 2.85 H new ATOM 0 HB1 ALA A 217 13.376 26.121 17.912 1.00 6.05 H new ATOM 0 HB2 ALA A 217 13.884 27.547 17.445 1.00 6.05 H new ATOM 0 HB3 ALA A 217 14.929 26.414 17.807 1.00 6.05 H new ATOM 898 N HIS A 218 15.453 25.713 20.745 1.00 3.17 N ATOM 899 CA HIS A 218 15.700 24.694 21.746 1.00 2.33 C ATOM 900 C HIS A 218 15.462 25.289 23.169 1.00 1.81 C ATOM 901 O HIS A 218 14.704 24.633 23.951 1.00 4.54 O ATOM 902 CB HIS A 218 17.226 24.272 21.691 1.00 4.84 C ATOM 903 CG HIS A 218 17.678 23.379 22.791 1.00 3.51 C ATOM 904 ND1 HIS A 218 17.792 22.006 22.544 1.00 5.20 N ATOM 905 CD2 HIS A 218 18.041 23.473 24.097 1.00 3.87 C ATOM 906 CE1 HIS A 218 18.212 21.493 23.702 1.00 1.35 C ATOM 907 NE2 HIS A 218 18.379 22.282 24.766 1.00 2.61 N ATOM 0 H HIS A 218 16.163 26.009 20.360 1.00 3.17 H new ATOM 0 HA HIS A 218 15.111 23.942 21.575 1.00 2.33 H new ATOM 0 HB2 HIS A 218 17.393 23.829 20.845 1.00 4.84 H new ATOM 0 HB3 HIS A 218 17.769 25.076 21.703 1.00 4.84 H new ATOM 0 HD1 HIS A 218 17.628 21.587 21.811 1.00 5.20 H new ATOM 0 HD2 HIS A 218 18.065 24.294 24.533 1.00 3.87 H new ATOM 0 HE1 HIS A 218 18.389 20.582 23.768 1.00 1.35 H new ATOM 908 N GLU A 219 15.923 26.491 23.526 1.00 1.85 N ATOM 909 CA GLU A 219 15.726 27.009 24.868 1.00 1.95 C ATOM 910 C GLU A 219 14.199 27.251 25.129 1.00 1.11 C ATOM 911 O GLU A 219 13.821 26.976 26.297 1.00 3.70 O ATOM 912 CB GLU A 219 16.473 28.331 25.177 1.00 1.55 C ATOM 913 CG GLU A 219 18.031 28.140 24.931 1.00 0.64 C ATOM 914 CD GLU A 219 18.567 26.899 25.566 1.00 5.46 C ATOM 915 OE1 GLU A 219 18.188 26.403 26.638 1.00 6.44 O ATOM 916 OE2 GLU A 219 19.563 26.394 24.976 1.00 6.29 O ATOM 0 H GLU A 219 16.353 27.018 22.999 1.00 1.85 H new ATOM 0 HA GLU A 219 16.098 26.329 25.451 1.00 1.95 H new ATOM 0 HB2 GLU A 219 16.133 29.043 24.613 1.00 1.55 H new ATOM 0 HB3 GLU A 219 16.312 28.596 26.096 1.00 1.55 H new ATOM 0 HG2 GLU A 219 18.203 28.111 23.977 1.00 0.64 H new ATOM 0 HG3 GLU A 219 18.507 28.909 25.281 1.00 0.64 H new ATOM 917 N LEU A 220 13.507 27.781 24.124 1.00 3.45 N ATOM 918 CA LEU A 220 12.031 28.009 24.428 1.00 3.76 C ATOM 919 C LEU A 220 11.376 26.674 24.630 1.00 7.55 C ATOM 920 O LEU A 220 10.295 26.675 25.323 1.00 5.11 O ATOM 921 CB LEU A 220 11.498 28.809 23.262 1.00 5.17 C ATOM 922 CG LEU A 220 12.112 30.183 23.269 1.00 6.71 C ATOM 923 CD1 LEU A 220 11.473 30.906 22.088 1.00 8.96 C ATOM 924 CD2 LEU A 220 11.942 31.066 24.508 1.00 9.90 C ATOM 0 H LEU A 220 13.796 28.002 23.345 1.00 3.45 H new ATOM 0 HA LEU A 220 11.856 28.506 25.243 1.00 3.76 H new ATOM 0 HB2 LEU A 220 11.702 28.358 22.428 1.00 5.17 H new ATOM 0 HB3 LEU A 220 10.532 28.876 23.319 1.00 5.17 H new ATOM 0 HG LEU A 220 13.071 30.042 23.238 1.00 6.71 H new ATOM 0 HD11 LEU A 220 11.826 31.808 22.031 1.00 8.96 H new ATOM 0 HD12 LEU A 220 11.674 30.428 21.268 1.00 8.96 H new ATOM 0 HD13 LEU A 220 10.512 30.943 22.213 1.00 8.96 H new ATOM 0 HD21 LEU A 220 12.389 31.915 24.364 1.00 9.90 H new ATOM 0 HD22 LEU A 220 10.998 31.221 24.668 1.00 9.90 H new ATOM 0 HD23 LEU A 220 12.331 30.622 25.278 1.00 9.90 H new ATOM 925 N GLY A 221 11.821 25.567 24.081 1.00 5.15 N ATOM 926 CA GLY A 221 11.184 24.243 24.341 1.00 5.67 C ATOM 927 C GLY A 221 11.287 24.052 25.822 1.00 7.11 C ATOM 928 O GLY A 221 10.316 23.655 26.485 1.00 6.47 O ATOM 0 H GLY A 221 12.495 25.536 23.547 1.00 5.15 H new ATOM 0 HA2 GLY A 221 10.259 24.234 24.049 1.00 5.67 H new ATOM 0 HA3 GLY A 221 11.640 23.533 23.862 1.00 5.67 H new ATOM 929 N HIS A 222 12.416 24.330 26.499 1.00 2.83 N ATOM 930 CA HIS A 222 12.542 24.193 27.929 1.00 2.00 C ATOM 931 C HIS A 222 11.594 25.168 28.655 1.00 4.02 C ATOM 932 O HIS A 222 11.020 24.754 29.684 1.00 4.84 O ATOM 933 CB HIS A 222 13.964 24.464 28.479 1.00 3.25 C ATOM 934 CG HIS A 222 14.967 23.426 28.076 1.00 6.10 C ATOM 935 ND1 HIS A 222 14.847 22.059 28.210 1.00 7.81 N ATOM 936 CD2 HIS A 222 16.184 23.717 27.522 1.00 6.25 C ATOM 937 CE1 HIS A 222 15.977 21.506 27.751 1.00 9.66 C ATOM 938 NE2 HIS A 222 16.811 22.469 27.364 1.00 5.09 N ATOM 0 H HIS A 222 13.134 24.608 26.117 1.00 2.83 H new ATOM 0 HA HIS A 222 12.320 23.264 28.099 1.00 2.00 H new ATOM 0 HB2 HIS A 222 14.264 25.332 28.167 1.00 3.25 H new ATOM 0 HB3 HIS A 222 13.926 24.508 29.447 1.00 3.25 H new ATOM 0 HD1 HIS A 222 14.169 21.638 28.530 1.00 7.81 H new ATOM 0 HD2 HIS A 222 16.521 24.555 27.299 1.00 6.25 H new ATOM 0 HE1 HIS A 222 16.152 20.593 27.709 1.00 9.66 H new ATOM 939 N SER A 223 11.517 26.398 28.198 1.00 4.56 N ATOM 940 CA SER A 223 10.636 27.396 28.824 1.00 4.26 C ATOM 941 C SER A 223 9.165 26.945 28.831 1.00 5.67 C ATOM 942 O SER A 223 8.482 27.548 29.657 1.00 9.34 O ATOM 943 CB SER A 223 10.708 28.677 28.007 1.00 5.58 C ATOM 944 OG SER A 223 12.049 29.242 28.087 1.00 5.28 O ATOM 0 H SER A 223 11.964 26.690 27.523 1.00 4.56 H new ATOM 0 HA SER A 223 10.932 27.520 29.739 1.00 4.26 H new ATOM 0 HB2 SER A 223 10.481 28.493 27.082 1.00 5.58 H new ATOM 0 HB3 SER A 223 10.058 29.317 28.337 1.00 5.58 H new ATOM 0 HG SER A 223 12.057 29.866 28.649 1.00 5.28 H new ATOM 945 N LEU A 224 8.879 26.041 27.940 1.00 4.58 N ATOM 946 CA LEU A 224 7.473 25.568 27.886 1.00 6.22 C ATOM 947 C LEU A 224 7.329 24.279 28.641 1.00 8.87 C ATOM 948 O LEU A 224 6.132 23.867 28.752 1.00 9.60 O ATOM 949 CB LEU A 224 7.100 25.499 26.435 1.00 4.21 C ATOM 950 CG LEU A 224 7.018 26.798 25.681 1.00 5.57 C ATOM 951 CD1 LEU A 224 6.794 26.542 24.212 1.00 6.65 C ATOM 952 CD2 LEU A 224 6.025 27.778 26.287 1.00 8.30 C ATOM 0 H LEU A 224 9.426 25.689 27.377 1.00 4.58 H new ATOM 0 HA LEU A 224 6.853 26.171 28.326 1.00 6.22 H new ATOM 0 HB2 LEU A 224 7.746 24.931 25.986 1.00 4.21 H new ATOM 0 HB3 LEU A 224 6.239 25.058 26.367 1.00 4.21 H new ATOM 0 HG LEU A 224 7.875 27.244 25.767 1.00 5.57 H new ATOM 0 HD11 LEU A 224 6.743 27.388 23.740 1.00 6.65 H new ATOM 0 HD12 LEU A 224 7.530 26.019 23.859 1.00 6.65 H new ATOM 0 HD13 LEU A 224 5.964 26.055 24.091 1.00 6.65 H new ATOM 0 HD21 LEU A 224 6.014 28.594 25.762 1.00 8.30 H new ATOM 0 HD22 LEU A 224 5.139 27.383 26.288 1.00 8.30 H new ATOM 0 HD23 LEU A 224 6.288 27.983 27.198 1.00 8.30 H new ATOM 953 N GLY A 225 8.370 23.649 29.084 1.00 5.53 N ATOM 954 CA GLY A 225 8.287 22.392 29.850 1.00 7.61 C ATOM 955 C GLY A 225 8.881 21.160 29.277 1.00 6.94 C ATOM 956 O GLY A 225 8.731 20.065 29.877 1.00 9.29 O ATOM 0 H GLY A 225 9.175 23.925 28.959 1.00 5.53 H new ATOM 0 HA2 GLY A 225 8.706 22.546 30.711 1.00 7.61 H new ATOM 0 HA3 GLY A 225 7.349 22.213 30.019 1.00 7.61 H new ATOM 957 N LEU A 226 9.609 21.246 28.141 1.00 8.25 N ATOM 958 CA LEU A 226 10.222 20.077 27.580 1.00 4.28 C ATOM 959 C LEU A 226 11.632 19.795 28.173 1.00 6.23 C ATOM 960 O LEU A 226 12.272 20.771 28.596 1.00 6.25 O ATOM 961 CB LEU A 226 10.434 20.282 26.069 1.00 5.88 C ATOM 962 CG LEU A 226 9.149 20.434 25.264 1.00 7.07 C ATOM 963 CD1 LEU A 226 9.566 20.524 23.793 1.00 12.33 C ATOM 964 CD2 LEU A 226 8.293 19.203 25.427 1.00 12.22 C ATOM 0 H LEU A 226 9.745 21.973 27.702 1.00 8.25 H new ATOM 0 HA LEU A 226 9.627 19.338 27.782 1.00 4.28 H new ATOM 0 HB2 LEU A 226 10.981 21.072 25.935 1.00 5.88 H new ATOM 0 HB3 LEU A 226 10.934 19.528 25.719 1.00 5.88 H new ATOM 0 HG LEU A 226 8.651 21.213 25.558 1.00 7.07 H new ATOM 0 HD11 LEU A 226 8.777 20.622 23.238 1.00 12.33 H new ATOM 0 HD12 LEU A 226 10.146 21.291 23.667 1.00 12.33 H new ATOM 0 HD13 LEU A 226 10.040 19.716 23.541 1.00 12.33 H new ATOM 0 HD21 LEU A 226 7.477 19.306 24.913 1.00 12.22 H new ATOM 0 HD22 LEU A 226 8.779 18.426 25.110 1.00 12.22 H new ATOM 0 HD23 LEU A 226 8.071 19.084 26.364 1.00 12.22 H new ATOM 965 N SER A 227 11.924 18.527 28.087 1.00 7.79 N ATOM 966 CA SER A 227 13.278 18.100 28.542 1.00 11.24 C ATOM 967 C SER A 227 14.017 17.705 27.258 1.00 8.37 C ATOM 968 O SER A 227 13.533 17.870 26.082 1.00 9.66 O ATOM 969 CB SER A 227 13.343 16.995 29.587 1.00 14.20 C ATOM 970 OG SER A 227 12.264 16.137 29.245 1.00 26.04 O ATOM 0 H SER A 227 11.407 17.907 27.791 1.00 7.79 H new ATOM 0 HA SER A 227 13.684 18.837 29.024 1.00 11.24 H new ATOM 0 HB2 SER A 227 14.192 16.527 29.557 1.00 14.20 H new ATOM 0 HB3 SER A 227 13.245 17.349 30.485 1.00 14.20 H new ATOM 0 HG SER A 227 12.218 16.063 28.409 1.00 26.04 H new ATOM 971 N HIS A 228 15.203 17.163 27.447 1.00 8.44 N ATOM 972 CA HIS A 228 15.979 16.758 26.258 1.00 9.04 C ATOM 973 C HIS A 228 15.505 15.542 25.504 1.00 9.02 C ATOM 974 O HIS A 228 14.916 14.647 26.139 1.00 11.52 O ATOM 975 CB HIS A 228 17.478 16.550 26.604 1.00 8.52 C ATOM 976 CG HIS A 228 18.105 17.913 26.924 1.00 6.68 C ATOM 977 ND1 HIS A 228 19.009 18.126 27.892 1.00 9.03 N ATOM 978 CD2 HIS A 228 17.917 19.088 26.320 1.00 4.15 C ATOM 979 CE1 HIS A 228 19.344 19.465 27.891 1.00 7.78 C ATOM 980 NE2 HIS A 228 18.693 20.104 26.907 1.00 3.25 N ATOM 0 H HIS A 228 15.575 17.020 28.209 1.00 8.44 H new ATOM 0 HA HIS A 228 15.837 17.510 25.662 1.00 9.04 H new ATOM 0 HB2 HIS A 228 17.568 15.953 27.363 1.00 8.52 H new ATOM 0 HB3 HIS A 228 17.940 16.134 25.859 1.00 8.52 H new ATOM 0 HD1 HIS A 228 19.326 17.529 28.424 1.00 9.03 H new ATOM 0 HD2 HIS A 228 17.344 19.219 25.600 1.00 4.15 H new ATOM 0 HE1 HIS A 228 19.935 19.866 28.486 1.00 7.78 H new ATOM 981 N SER A 229 15.730 15.453 24.240 1.00 7.44 N ATOM 982 CA SER A 229 15.386 14.325 23.344 1.00 10.64 C ATOM 983 C SER A 229 16.638 13.489 23.047 1.00 12.12 C ATOM 984 O SER A 229 17.800 13.944 23.136 1.00 12.89 O ATOM 985 CB SER A 229 14.851 14.861 22.025 1.00 12.03 C ATOM 986 OG SER A 229 14.493 13.821 21.115 1.00 12.43 O ATOM 0 H SER A 229 16.121 16.090 23.814 1.00 7.44 H new ATOM 0 HA SER A 229 14.716 13.777 23.782 1.00 10.64 H new ATOM 0 HB2 SER A 229 14.075 15.417 22.197 1.00 12.03 H new ATOM 0 HB3 SER A 229 15.522 15.429 21.614 1.00 12.03 H new ATOM 0 HG SER A 229 13.657 13.791 21.038 1.00 12.43 H new ATOM 987 N THR A 230 16.375 12.207 22.667 1.00 12.55 N ATOM 988 CA THR A 230 17.500 11.323 22.301 1.00 15.51 C ATOM 989 C THR A 230 17.563 11.180 20.764 1.00 16.58 C ATOM 990 O THR A 230 18.446 10.459 20.203 1.00 17.22 O ATOM 991 CB THR A 230 17.466 9.866 22.913 1.00 19.23 C ATOM 992 OG1 THR A 230 16.170 9.406 22.446 1.00 23.74 O ATOM 993 CG2 THR A 230 17.610 9.957 24.427 1.00 18.19 C ATOM 0 H THR A 230 15.593 11.853 22.619 1.00 12.55 H new ATOM 0 HA THR A 230 18.280 11.759 22.679 1.00 15.51 H new ATOM 0 HB THR A 230 18.176 9.258 22.652 1.00 19.23 H new ATOM 0 HG1 THR A 230 16.037 8.621 22.715 1.00 23.74 H new ATOM 0 HG21 THR A 230 17.590 9.065 24.808 1.00 18.19 H new ATOM 0 HG22 THR A 230 18.453 10.383 24.647 1.00 18.19 H new ATOM 0 HG23 THR A 230 16.879 10.480 24.791 1.00 18.19 H new ATOM 994 N ASP A 231 16.648 11.838 20.099 1.00 11.97 N ATOM 995 CA ASP A 231 16.606 11.800 18.620 1.00 12.22 C ATOM 996 C ASP A 231 17.575 12.827 18.025 1.00 13.40 C ATOM 997 O ASP A 231 17.304 14.032 18.197 1.00 12.00 O ATOM 998 CB ASP A 231 15.117 12.054 18.300 1.00 15.31 C ATOM 999 CG ASP A 231 14.848 11.934 16.829 1.00 23.03 C ATOM 1000 OD1 ASP A 231 15.692 12.295 15.969 1.00 20.41 O ATOM 1001 OD2 ASP A 231 13.718 11.443 16.667 1.00 26.44 O ATOM 0 H ASP A 231 16.034 12.317 20.464 1.00 11.97 H new ATOM 0 HA ASP A 231 16.901 10.963 18.228 1.00 12.22 H new ATOM 0 HB2 ASP A 231 14.567 11.419 18.784 1.00 15.31 H new ATOM 0 HB3 ASP A 231 14.865 12.939 18.606 1.00 15.31 H new ATOM 1002 N ILE A 232 18.664 12.407 17.327 1.00 14.25 N ATOM 1003 CA ILE A 232 19.569 13.444 16.776 1.00 13.35 C ATOM 1004 C ILE A 232 18.942 14.493 15.835 1.00 10.71 C ATOM 1005 O ILE A 232 19.589 15.538 15.620 1.00 16.19 O ATOM 1006 CB ILE A 232 20.767 12.752 16.029 1.00 14.87 C ATOM 1007 CG1 ILE A 232 20.250 12.020 14.770 1.00 14.72 C ATOM 1008 CG2 ILE A 232 21.600 11.906 17.024 1.00 15.93 C ATOM 1009 CD1 ILE A 232 21.416 11.323 13.975 1.00 18.76 C ATOM 0 H ILE A 232 18.881 11.589 17.172 1.00 14.25 H new ATOM 0 HA ILE A 232 19.848 13.947 17.557 1.00 13.35 H new ATOM 0 HB ILE A 232 21.397 13.406 15.688 1.00 14.87 H new ATOM 0 HG12 ILE A 232 19.594 11.355 15.030 1.00 14.72 H new ATOM 0 HG13 ILE A 232 19.798 12.653 14.191 1.00 14.72 H new ATOM 0 HG21 ILE A 232 22.336 11.484 16.553 1.00 15.93 H new ATOM 0 HG22 ILE A 232 21.951 12.480 17.723 1.00 15.93 H new ATOM 0 HG23 ILE A 232 21.036 11.223 17.420 1.00 15.93 H new ATOM 0 HD11 ILE A 232 21.053 10.876 13.194 1.00 18.76 H new ATOM 0 HD12 ILE A 232 22.061 11.991 13.694 1.00 18.76 H new ATOM 0 HD13 ILE A 232 21.853 10.672 14.546 1.00 18.76 H new ATOM 1010 N GLY A 233 17.744 14.233 15.318 1.00 15.12 N ATOM 1011 CA GLY A 233 17.163 15.242 14.414 1.00 14.86 C ATOM 1012 C GLY A 233 16.231 16.221 15.139 1.00 10.52 C ATOM 1013 O GLY A 233 15.767 17.169 14.456 1.00 13.25 O ATOM 0 H GLY A 233 17.272 13.529 15.460 1.00 15.12 H new ATOM 0 HA2 GLY A 233 17.879 15.739 13.987 1.00 14.86 H new ATOM 0 HA3 GLY A 233 16.670 14.794 13.709 1.00 14.86 H new ATOM 1014 N ALA A 234 16.042 15.980 16.393 1.00 8.17 N ATOM 1015 CA ALA A 234 15.152 16.805 17.201 1.00 8.01 C ATOM 1016 C ALA A 234 15.782 18.107 17.684 1.00 9.57 C ATOM 1017 O ALA A 234 16.979 18.245 17.986 1.00 8.62 O ATOM 1018 CB ALA A 234 14.561 16.042 18.368 1.00 8.32 C ATOM 0 H ALA A 234 16.418 15.336 16.821 1.00 8.17 H new ATOM 0 HA ALA A 234 14.434 17.050 16.597 1.00 8.01 H new ATOM 0 HB1 ALA A 234 13.978 16.628 18.876 1.00 8.32 H new ATOM 0 HB2 ALA A 234 14.051 15.287 18.036 1.00 8.32 H new ATOM 0 HB3 ALA A 234 15.275 15.722 18.941 1.00 8.32 H new ATOM 1019 N LEU A 235 14.933 19.124 17.762 1.00 5.90 N ATOM 1020 CA LEU A 235 15.410 20.433 18.219 1.00 2.04 C ATOM 1021 C LEU A 235 15.876 20.336 19.672 1.00 4.45 C ATOM 1022 O LEU A 235 16.745 21.092 20.146 1.00 5.86 O ATOM 1023 CB LEU A 235 14.359 21.579 18.042 1.00 3.71 C ATOM 1024 CG LEU A 235 14.045 21.761 16.550 1.00 7.92 C ATOM 1025 CD1 LEU A 235 13.246 23.061 16.573 1.00 13.77 C ATOM 1026 CD2 LEU A 235 15.256 21.953 15.642 1.00 13.63 C ATOM 0 H LEU A 235 14.097 19.085 17.562 1.00 5.90 H new ATOM 0 HA LEU A 235 16.158 20.675 17.651 1.00 2.04 H new ATOM 0 HB2 LEU A 235 13.548 21.365 18.529 1.00 3.71 H new ATOM 0 HB3 LEU A 235 14.703 22.407 18.413 1.00 3.71 H new ATOM 0 HG LEU A 235 13.609 20.972 16.191 1.00 7.92 H new ATOM 0 HD11 LEU A 235 12.980 23.294 15.670 1.00 13.77 H new ATOM 0 HD12 LEU A 235 12.455 22.945 17.123 1.00 13.77 H new ATOM 0 HD13 LEU A 235 13.794 23.771 16.941 1.00 13.77 H new ATOM 0 HD21 LEU A 235 14.959 22.059 14.725 1.00 13.63 H new ATOM 0 HD22 LEU A 235 15.744 22.745 15.917 1.00 13.63 H new ATOM 0 HD23 LEU A 235 15.835 21.178 15.707 1.00 13.63 H new ATOM 1027 N MET A 236 15.287 19.465 20.428 1.00 3.60 N ATOM 1028 CA MET A 236 15.574 19.264 21.860 1.00 4.18 C ATOM 1029 C MET A 236 16.775 18.333 22.151 1.00 3.86 C ATOM 1030 O MET A 236 17.025 18.063 23.336 1.00 5.73 O ATOM 1031 CB MET A 236 14.309 18.858 22.638 1.00 5.72 C ATOM 1032 CG MET A 236 13.187 19.889 22.588 1.00 5.13 C ATOM 1033 SD MET A 236 13.693 21.567 23.043 1.00 5.36 S ATOM 1034 CE MET A 236 14.170 21.393 24.716 1.00 3.91 C ATOM 0 H MET A 236 14.676 18.937 20.132 1.00 3.60 H new ATOM 0 HA MET A 236 15.859 20.130 22.190 1.00 4.18 H new ATOM 0 HB2 MET A 236 13.979 18.018 22.283 1.00 5.72 H new ATOM 0 HB3 MET A 236 14.548 18.700 23.565 1.00 5.72 H new ATOM 0 HG2 MET A 236 12.818 19.906 21.691 1.00 5.13 H new ATOM 0 HG3 MET A 236 12.475 19.605 23.182 1.00 5.13 H new ATOM 0 HE1 MET A 236 14.418 22.260 25.074 1.00 3.91 H new ATOM 0 HE2 MET A 236 13.429 21.032 25.228 1.00 3.91 H new ATOM 0 HE3 MET A 236 14.928 20.790 24.776 1.00 3.91 H new ATOM 1035 N TYR A 237 17.464 17.898 21.082 1.00 5.06 N ATOM 1036 CA TYR A 237 18.710 17.057 21.316 1.00 6.79 C ATOM 1037 C TYR A 237 19.649 17.974 22.147 1.00 3.60 C ATOM 1038 O TYR A 237 19.686 19.203 22.038 1.00 5.70 O ATOM 1039 CB TYR A 237 19.320 16.765 19.915 1.00 4.57 C ATOM 1040 CG TYR A 237 20.297 15.588 20.091 1.00 4.38 C ATOM 1041 CD1 TYR A 237 19.922 14.310 20.445 1.00 6.74 C ATOM 1042 CD2 TYR A 237 21.668 15.883 19.907 1.00 8.39 C ATOM 1043 CE1 TYR A 237 20.854 13.292 20.591 1.00 9.54 C ATOM 1044 CE2 TYR A 237 22.623 14.872 20.071 1.00 10.66 C ATOM 1045 CZ TYR A 237 22.176 13.607 20.401 1.00 10.67 C ATOM 1046 OH TYR A 237 23.097 12.571 20.549 1.00 16.85 O ATOM 0 H TYR A 237 17.264 18.053 20.260 1.00 5.06 H new ATOM 0 HA TYR A 237 18.554 16.216 21.773 1.00 6.79 H new ATOM 0 HB2 TYR A 237 18.624 16.542 19.277 1.00 4.57 H new ATOM 0 HB3 TYR A 237 19.781 17.546 19.571 1.00 4.57 H new ATOM 0 HD1 TYR A 237 19.022 14.125 20.590 1.00 6.74 H new ATOM 0 HD2 TYR A 237 21.934 16.744 19.678 1.00 8.39 H new ATOM 0 HE1 TYR A 237 20.592 12.427 20.810 1.00 9.54 H new ATOM 0 HE2 TYR A 237 23.530 15.047 19.961 1.00 10.66 H new ATOM 0 HH TYR A 237 23.872 12.864 20.413 1.00 16.85 H new ATOM 1047 N PRO A 238 20.428 17.377 23.041 1.00 4.36 N ATOM 1048 CA PRO A 238 21.336 18.109 23.963 1.00 4.25 C ATOM 1049 C PRO A 238 22.615 18.782 23.391 1.00 3.75 C ATOM 1050 O PRO A 238 23.208 19.515 24.171 1.00 5.56 O ATOM 1051 CB PRO A 238 21.685 17.150 25.136 1.00 6.56 C ATOM 1052 CG PRO A 238 21.485 15.813 24.490 1.00 8.48 C ATOM 1053 CD PRO A 238 20.426 15.948 23.382 1.00 7.18 C ATOM 0 HA PRO A 238 20.831 18.892 24.233 1.00 4.25 H new ATOM 0 HB2 PRO A 238 22.594 17.272 25.450 1.00 6.56 H new ATOM 0 HB3 PRO A 238 21.101 17.278 25.900 1.00 6.56 H new ATOM 0 HG2 PRO A 238 22.321 15.492 24.117 1.00 8.48 H new ATOM 0 HG3 PRO A 238 21.199 15.161 25.149 1.00 8.48 H new ATOM 0 HD2 PRO A 238 20.649 15.401 22.612 1.00 7.18 H new ATOM 0 HD3 PRO A 238 19.553 15.660 23.691 1.00 7.18 H new ATOM 1054 N SER A 239 22.949 18.487 22.161 1.00 4.47 N ATOM 1055 CA SER A 239 24.132 19.158 21.589 1.00 3.74 C ATOM 1056 C SER A 239 23.604 19.896 20.349 1.00 6.22 C ATOM 1057 O SER A 239 22.630 19.525 19.675 1.00 6.37 O ATOM 1058 CB SER A 239 25.260 18.201 21.226 1.00 11.06 C ATOM 1059 OG SER A 239 24.771 17.237 20.331 1.00 15.17 O ATOM 0 H SER A 239 22.540 17.932 21.646 1.00 4.47 H new ATOM 0 HA SER A 239 24.533 19.755 22.240 1.00 3.74 H new ATOM 0 HB2 SER A 239 25.996 18.688 20.824 1.00 11.06 H new ATOM 0 HB3 SER A 239 25.606 17.772 22.024 1.00 11.06 H new ATOM 0 HG SER A 239 24.192 16.766 20.716 1.00 15.17 H new ATOM 1060 N TYR A 240 24.265 21.029 20.067 1.00 5.52 N ATOM 1061 CA TYR A 240 23.832 21.815 18.921 1.00 4.77 C ATOM 1062 C TYR A 240 23.965 21.111 17.587 1.00 5.24 C ATOM 1063 O TYR A 240 25.012 20.479 17.360 1.00 8.08 O ATOM 1064 CB TYR A 240 24.736 23.080 18.975 1.00 6.08 C ATOM 1065 CG TYR A 240 24.573 24.059 17.841 1.00 4.38 C ATOM 1066 CD1 TYR A 240 23.647 25.106 17.871 1.00 6.61 C ATOM 1067 CD2 TYR A 240 25.394 23.920 16.705 1.00 8.22 C ATOM 1068 CE1 TYR A 240 23.527 25.969 16.809 1.00 7.80 C ATOM 1069 CE2 TYR A 240 25.267 24.830 15.646 1.00 5.56 C ATOM 1070 CZ TYR A 240 24.343 25.849 15.708 1.00 8.83 C ATOM 1071 OH TYR A 240 24.225 26.734 14.683 1.00 8.61 O ATOM 0 H TYR A 240 24.934 21.342 20.508 1.00 5.52 H new ATOM 0 HA TYR A 240 22.882 22.004 18.979 1.00 4.77 H new ATOM 0 HB2 TYR A 240 24.561 23.545 19.808 1.00 6.08 H new ATOM 0 HB3 TYR A 240 25.662 22.793 19.000 1.00 6.08 H new ATOM 0 HD1 TYR A 240 23.106 25.220 18.619 1.00 6.61 H new ATOM 0 HD2 TYR A 240 26.016 23.230 16.658 1.00 8.22 H new ATOM 0 HE1 TYR A 240 22.886 26.643 16.835 1.00 7.80 H new ATOM 0 HE2 TYR A 240 25.811 24.745 14.896 1.00 5.56 H new ATOM 0 HH TYR A 240 24.808 26.569 14.101 1.00 8.61 H new ATOM 1072 N THR A 241 23.006 21.325 16.721 1.00 6.82 N ATOM 1073 CA THR A 241 23.038 20.788 15.342 1.00 6.31 C ATOM 1074 C THR A 241 22.428 21.907 14.515 1.00 5.75 C ATOM 1075 O THR A 241 21.601 22.712 15.071 1.00 7.78 O ATOM 1076 CB THR A 241 22.291 19.436 15.164 1.00 8.72 C ATOM 1077 OG1 THR A 241 20.863 19.769 15.407 1.00 10.49 O ATOM 1078 CG2 THR A 241 22.751 18.367 16.195 1.00 9.30 C ATOM 0 H THR A 241 22.303 21.788 16.898 1.00 6.82 H new ATOM 0 HA THR A 241 23.940 20.559 15.070 1.00 6.31 H new ATOM 0 HB THR A 241 22.463 19.058 14.287 1.00 8.72 H new ATOM 0 HG1 THR A 241 20.448 19.075 15.635 1.00 10.49 H new ATOM 0 HG21 THR A 241 22.261 17.543 16.048 1.00 9.30 H new ATOM 0 HG22 THR A 241 23.701 18.201 16.088 1.00 9.30 H new ATOM 0 HG23 THR A 241 22.579 18.689 17.094 1.00 9.30 H new ATOM 1079 N PHE A 242 22.680 22.049 13.233 1.00 7.18 N ATOM 1080 CA PHE A 242 22.078 23.098 12.399 1.00 6.21 C ATOM 1081 C PHE A 242 21.986 22.479 11.000 1.00 11.16 C ATOM 1082 O PHE A 242 23.029 22.183 10.359 1.00 8.30 O ATOM 1083 CB PHE A 242 22.869 24.428 12.381 1.00 11.93 C ATOM 1084 CG PHE A 242 22.151 25.445 11.545 1.00 7.72 C ATOM 1085 CD1 PHE A 242 20.953 26.027 11.991 1.00 8.70 C ATOM 1086 CD2 PHE A 242 22.632 25.786 10.310 1.00 8.95 C ATOM 1087 CE1 PHE A 242 20.300 26.977 11.201 1.00 10.93 C ATOM 1088 CE2 PHE A 242 21.961 26.696 9.491 1.00 7.91 C ATOM 1089 CZ PHE A 242 20.770 27.326 9.934 1.00 11.13 C ATOM 0 H PHE A 242 23.216 21.533 12.801 1.00 7.18 H new ATOM 0 HA PHE A 242 21.215 23.357 12.757 1.00 6.21 H new ATOM 0 HB2 PHE A 242 22.976 24.761 13.286 1.00 11.93 H new ATOM 0 HB3 PHE A 242 23.759 24.278 12.026 1.00 11.93 H new ATOM 0 HD1 PHE A 242 20.594 25.780 12.813 1.00 8.70 H new ATOM 0 HD2 PHE A 242 23.424 25.403 10.009 1.00 8.95 H new ATOM 0 HE1 PHE A 242 19.532 27.387 11.528 1.00 10.93 H new ATOM 0 HE2 PHE A 242 22.298 26.891 8.647 1.00 7.91 H new ATOM 0 HZ PHE A 242 20.322 27.945 9.403 1.00 11.13 H new ATOM 1090 N SER A 243 20.764 22.331 10.559 1.00 11.41 N ATOM 1091 CA SER A 243 20.493 21.764 9.212 1.00 12.37 C ATOM 1092 C SER A 243 20.270 22.808 8.140 1.00 12.34 C ATOM 1093 O SER A 243 20.215 22.379 6.936 1.00 19.41 O ATOM 1094 CB SER A 243 19.282 20.833 9.304 1.00 18.52 C ATOM 1095 OG SER A 243 18.189 21.723 9.421 1.00 23.41 O ATOM 0 H SER A 243 20.061 22.545 11.005 1.00 11.41 H new ATOM 0 HA SER A 243 21.287 21.278 8.941 1.00 12.37 H new ATOM 0 HB2 SER A 243 19.203 20.271 8.517 1.00 18.52 H new ATOM 0 HB3 SER A 243 19.344 20.241 10.070 1.00 18.52 H new ATOM 0 HG SER A 243 17.470 21.290 9.391 1.00 23.41 H new ATOM 1096 N GLY A 244 20.137 24.082 8.396 1.00 10.41 N ATOM 1097 CA GLY A 244 19.912 25.093 7.339 1.00 13.98 C ATOM 1098 C GLY A 244 18.498 25.675 7.477 1.00 18.27 C ATOM 1099 O GLY A 244 18.331 26.891 7.205 1.00 23.47 O ATOM 0 H GLY A 244 20.172 24.411 9.190 1.00 10.41 H new ATOM 0 HA2 GLY A 244 20.571 25.801 7.410 1.00 13.98 H new ATOM 0 HA3 GLY A 244 20.022 24.689 6.464 1.00 13.98 H new ATOM 1100 N ASP A 245 17.596 24.813 7.864 1.00 19.53 N ATOM 1101 CA ASP A 245 16.138 25.144 8.044 1.00 22.02 C ATOM 1102 C ASP A 245 15.709 24.570 9.408 1.00 20.26 C ATOM 1103 O ASP A 245 15.719 23.354 9.646 1.00 24.56 O ATOM 1104 CB ASP A 245 15.420 24.535 6.847 1.00 30.52 C ATOM 1105 CG ASP A 245 13.935 24.886 6.853 1.00 40.12 C ATOM 1106 OD1 ASP A 245 13.544 25.905 7.448 1.00 41.12 O ATOM 1107 OD2 ASP A 245 13.134 24.129 6.259 1.00 45.44 O ATOM 0 H ASP A 245 17.783 23.993 8.042 1.00 19.53 H new ATOM 0 HA ASP A 245 15.930 26.091 8.063 1.00 22.02 H new ATOM 0 HB2 ASP A 245 15.827 24.855 6.026 1.00 30.52 H new ATOM 0 HB3 ASP A 245 15.527 23.571 6.860 1.00 30.52 H new ATOM 1108 N VAL A 246 15.342 25.430 10.333 1.00 13.51 N ATOM 1109 CA VAL A 246 14.962 25.023 11.676 1.00 9.97 C ATOM 1110 C VAL A 246 13.434 24.670 11.692 1.00 8.42 C ATOM 1111 O VAL A 246 12.680 25.596 11.420 1.00 11.73 O ATOM 1112 CB VAL A 246 15.300 26.183 12.617 1.00 8.58 C ATOM 1113 CG1 VAL A 246 14.890 25.917 14.063 1.00 12.65 C ATOM 1114 CG2 VAL A 246 16.789 26.584 12.611 1.00 13.43 C ATOM 0 H VAL A 246 15.304 26.279 10.202 1.00 13.51 H new ATOM 0 HA VAL A 246 15.441 24.232 11.967 1.00 9.97 H new ATOM 0 HB VAL A 246 14.779 26.918 12.257 1.00 8.58 H new ATOM 0 HG11 VAL A 246 15.127 26.681 14.612 1.00 12.65 H new ATOM 0 HG12 VAL A 246 13.932 25.772 14.106 1.00 12.65 H new ATOM 0 HG13 VAL A 246 15.351 25.129 14.390 1.00 12.65 H new ATOM 0 HG21 VAL A 246 16.928 27.321 13.227 1.00 13.43 H new ATOM 0 HG22 VAL A 246 17.329 25.827 12.886 1.00 13.43 H new ATOM 0 HG23 VAL A 246 17.047 26.857 11.717 1.00 13.43 H new ATOM 1115 N GLN A 247 13.231 23.407 11.965 1.00 8.72 N ATOM 1116 CA GLN A 247 11.823 22.948 12.000 1.00 11.10 C ATOM 1117 C GLN A 247 11.717 21.923 13.099 1.00 10.37 C ATOM 1118 O GLN A 247 12.664 21.219 13.466 1.00 12.36 O ATOM 1119 CB GLN A 247 11.480 22.297 10.664 1.00 16.79 C ATOM 1120 CG GLN A 247 11.435 23.230 9.492 1.00 19.80 C ATOM 1121 CD GLN A 247 10.461 24.379 9.557 1.00 27.63 C ATOM 1122 OE1 GLN A 247 9.406 24.359 10.221 1.00 30.60 O ATOM 1123 NE2 GLN A 247 10.841 25.438 8.822 1.00 26.34 N ATOM 0 H GLN A 247 13.834 22.816 12.126 1.00 8.72 H new ATOM 0 HA GLN A 247 11.215 23.687 12.158 1.00 11.10 H new ATOM 0 HB2 GLN A 247 12.133 21.603 10.482 1.00 16.79 H new ATOM 0 HB3 GLN A 247 10.617 21.861 10.745 1.00 16.79 H new ATOM 0 HG2 GLN A 247 12.324 23.597 9.367 1.00 19.80 H new ATOM 0 HG3 GLN A 247 11.230 22.708 8.701 1.00 19.80 H new ATOM 0 HE21 GLN A 247 11.577 25.411 8.378 1.00 26.34 H new ATOM 0 HE22 GLN A 247 10.348 26.142 8.796 1.00 26.34 H new ATOM 1124 N LEU A 248 10.477 21.827 13.625 1.00 9.98 N ATOM 1125 CA LEU A 248 10.318 20.822 14.695 1.00 8.14 C ATOM 1126 C LEU A 248 10.376 19.419 14.142 1.00 7.96 C ATOM 1127 O LEU A 248 9.867 19.201 13.021 1.00 11.54 O ATOM 1128 CB LEU A 248 8.908 21.015 15.328 1.00 10.17 C ATOM 1129 CG LEU A 248 8.561 22.316 16.000 1.00 7.97 C ATOM 1130 CD1 LEU A 248 7.169 22.113 16.699 1.00 11.37 C ATOM 1131 CD2 LEU A 248 9.596 22.660 17.043 1.00 11.14 C ATOM 0 H LEU A 248 9.782 22.283 13.404 1.00 9.98 H new ATOM 0 HA LEU A 248 11.033 20.940 15.340 1.00 8.14 H new ATOM 0 HB2 LEU A 248 8.254 20.868 14.627 1.00 10.17 H new ATOM 0 HB3 LEU A 248 8.786 20.310 15.983 1.00 10.17 H new ATOM 0 HG LEU A 248 8.533 23.037 15.351 1.00 7.97 H new ATOM 0 HD11 LEU A 248 6.908 22.933 17.146 1.00 11.37 H new ATOM 0 HD12 LEU A 248 6.503 21.883 16.033 1.00 11.37 H new ATOM 0 HD13 LEU A 248 7.235 21.397 17.350 1.00 11.37 H new ATOM 0 HD21 LEU A 248 9.361 23.500 17.468 1.00 11.14 H new ATOM 0 HD22 LEU A 248 9.628 21.958 17.711 1.00 11.14 H new ATOM 0 HD23 LEU A 248 10.465 22.744 16.621 1.00 11.14 H new ATOM 1132 N ALA A 249 10.985 18.475 14.832 1.00 6.58 N ATOM 1133 CA ALA A 249 10.991 17.079 14.393 1.00 9.09 C ATOM 1134 C ALA A 249 9.726 16.453 15.003 1.00 9.14 C ATOM 1135 O ALA A 249 9.107 17.003 15.924 1.00 7.53 O ATOM 1136 CB ALA A 249 12.210 16.400 15.013 1.00 12.15 C ATOM 0 H ALA A 249 11.408 18.617 15.567 1.00 6.58 H new ATOM 0 HA ALA A 249 11.016 16.990 13.427 1.00 9.09 H new ATOM 0 HB1 ALA A 249 12.238 15.470 14.737 1.00 12.15 H new ATOM 0 HB2 ALA A 249 13.017 16.849 14.716 1.00 12.15 H new ATOM 0 HB3 ALA A 249 12.151 16.448 15.980 1.00 12.15 H new ATOM 1137 N GLN A 250 9.313 15.261 14.569 1.00 10.17 N ATOM 1138 CA GLN A 250 8.142 14.589 15.111 1.00 10.77 C ATOM 1139 C GLN A 250 8.267 14.467 16.617 1.00 10.41 C ATOM 1140 O GLN A 250 7.289 14.718 17.333 1.00 9.54 O ATOM 1141 CB GLN A 250 7.910 13.180 14.549 1.00 13.06 C ATOM 1142 CG GLN A 250 6.496 12.690 14.939 1.00 16.66 C ATOM 1143 CD GLN A 250 5.415 13.590 14.406 1.00 23.75 C ATOM 1144 OE1 GLN A 250 5.385 13.967 13.225 1.00 26.04 O ATOM 1145 NE2 GLN A 250 4.443 14.058 15.202 1.00 21.84 N ATOM 0 H GLN A 250 9.711 14.820 13.947 1.00 10.17 H new ATOM 0 HA GLN A 250 7.387 15.139 14.850 1.00 10.77 H new ATOM 0 HB2 GLN A 250 8.004 13.188 13.584 1.00 13.06 H new ATOM 0 HB3 GLN A 250 8.580 12.570 14.895 1.00 13.06 H new ATOM 0 HG2 GLN A 250 6.362 11.791 14.600 1.00 16.66 H new ATOM 0 HG3 GLN A 250 6.427 12.642 15.905 1.00 16.66 H new ATOM 0 HE21 GLN A 250 4.417 13.828 16.030 1.00 21.84 H new ATOM 0 HE22 GLN A 250 3.845 14.589 14.884 1.00 21.84 H new ATOM 1146 N ASP A 251 9.441 14.140 17.158 1.00 7.05 N ATOM 1147 CA ASP A 251 9.617 14.002 18.597 1.00 5.75 C ATOM 1148 C ASP A 251 9.286 15.288 19.371 1.00 9.73 C ATOM 1149 O ASP A 251 8.751 15.244 20.483 1.00 9.32 O ATOM 1150 CB ASP A 251 11.086 13.576 18.778 1.00 11.56 C ATOM 1151 CG ASP A 251 11.282 13.122 20.194 1.00 17.61 C ATOM 1152 OD1 ASP A 251 10.756 12.083 20.649 1.00 22.38 O ATOM 1153 OD2 ASP A 251 11.978 13.798 20.992 1.00 15.07 O ATOM 0 H ASP A 251 10.154 13.993 16.700 1.00 7.05 H new ATOM 0 HA ASP A 251 9.001 13.349 18.963 1.00 5.75 H new ATOM 0 HB2 ASP A 251 11.307 12.861 18.161 1.00 11.56 H new ATOM 0 HB3 ASP A 251 11.679 14.317 18.577 1.00 11.56 H new ATOM 1154 N ASP A 252 9.631 16.405 18.757 1.00 6.49 N ATOM 1155 CA ASP A 252 9.404 17.753 19.310 1.00 7.63 C ATOM 1156 C ASP A 252 7.850 17.993 19.331 1.00 7.92 C ATOM 1157 O ASP A 252 7.390 18.461 20.378 1.00 6.98 O ATOM 1158 CB ASP A 252 10.221 18.828 18.588 1.00 7.18 C ATOM 1159 CG ASP A 252 11.773 18.702 18.543 1.00 3.99 C ATOM 1160 OD1 ASP A 252 12.245 18.479 19.682 1.00 6.36 O ATOM 1161 OD2 ASP A 252 12.214 18.890 17.363 1.00 7.15 O ATOM 0 H ASP A 252 10.014 16.413 17.987 1.00 6.49 H new ATOM 0 HA ASP A 252 9.733 17.818 20.220 1.00 7.63 H new ATOM 0 HB2 ASP A 252 9.905 18.869 17.672 1.00 7.18 H new ATOM 0 HB3 ASP A 252 10.009 19.681 18.999 1.00 7.18 H new ATOM 1162 N ILE A 253 7.245 17.694 18.204 1.00 7.74 N ATOM 1163 CA ILE A 253 5.785 17.914 18.123 1.00 6.39 C ATOM 1164 C ILE A 253 5.107 17.025 19.142 1.00 8.13 C ATOM 1165 O ILE A 253 4.216 17.516 19.877 1.00 8.06 O ATOM 1166 CB ILE A 253 5.351 17.688 16.662 1.00 5.92 C ATOM 1167 CG1 ILE A 253 5.939 18.781 15.777 1.00 7.04 C ATOM 1168 CG2 ILE A 253 3.790 17.747 16.667 1.00 7.78 C ATOM 1169 CD1 ILE A 253 5.821 18.334 14.303 1.00 10.65 C ATOM 0 H ILE A 253 7.621 17.378 17.498 1.00 7.74 H new ATOM 0 HA ILE A 253 5.521 18.820 18.348 1.00 6.39 H new ATOM 0 HB ILE A 253 5.664 16.839 16.313 1.00 5.92 H new ATOM 0 HG12 ILE A 253 5.466 19.617 15.915 1.00 7.04 H new ATOM 0 HG13 ILE A 253 6.868 18.939 16.008 1.00 7.04 H new ATOM 0 HG21 ILE A 253 3.458 17.610 15.766 1.00 7.78 H new ATOM 0 HG22 ILE A 253 3.442 17.053 17.249 1.00 7.78 H new ATOM 0 HG23 ILE A 253 3.500 18.615 16.990 1.00 7.78 H new ATOM 0 HD11 ILE A 253 6.191 19.020 13.726 1.00 10.65 H new ATOM 0 HD12 ILE A 253 6.310 17.506 14.176 1.00 10.65 H new ATOM 0 HD13 ILE A 253 4.887 18.195 14.081 1.00 10.65 H new ATOM 1170 N ASP A 254 5.458 15.761 19.146 1.00 8.27 N ATOM 1171 CA ASP A 254 4.827 14.825 20.102 1.00 9.61 C ATOM 1172 C ASP A 254 4.956 15.311 21.526 1.00 9.51 C ATOM 1173 O ASP A 254 4.059 15.297 22.359 1.00 12.40 O ATOM 1174 CB ASP A 254 5.345 13.384 19.996 1.00 11.24 C ATOM 1175 CG ASP A 254 4.910 12.750 18.699 1.00 13.15 C ATOM 1176 OD1 ASP A 254 3.970 13.212 18.042 1.00 13.89 O ATOM 1177 OD2 ASP A 254 5.597 11.748 18.377 1.00 20.95 O ATOM 0 H ASP A 254 6.045 15.412 18.623 1.00 8.27 H new ATOM 0 HA ASP A 254 3.890 14.808 19.851 1.00 9.61 H new ATOM 0 HB2 ASP A 254 6.313 13.379 20.054 1.00 11.24 H new ATOM 0 HB3 ASP A 254 5.014 12.861 20.743 1.00 11.24 H new ATOM 1178 N GLY A 255 6.144 15.789 21.926 1.00 9.16 N ATOM 1179 CA GLY A 255 6.391 16.263 23.270 1.00 6.18 C ATOM 1180 C GLY A 255 5.621 17.495 23.673 1.00 5.86 C ATOM 1181 O GLY A 255 5.107 17.439 24.850 1.00 9.79 O ATOM 0 H GLY A 255 6.829 15.842 21.409 1.00 9.16 H new ATOM 0 HA2 GLY A 255 6.179 15.550 23.892 1.00 6.18 H new ATOM 0 HA3 GLY A 255 7.339 16.448 23.362 1.00 6.18 H new ATOM 1182 N ILE A 256 5.571 18.513 22.846 1.00 5.97 N ATOM 1183 CA ILE A 256 4.813 19.683 23.281 1.00 5.55 C ATOM 1184 C ILE A 256 3.285 19.407 23.247 1.00 7.51 C ATOM 1185 O ILE A 256 2.695 20.009 24.101 1.00 7.85 O ATOM 1186 CB ILE A 256 5.234 20.870 22.351 1.00 4.97 C ATOM 1187 CG1 ILE A 256 4.904 22.215 22.990 1.00 7.38 C ATOM 1188 CG2 ILE A 256 4.759 20.873 20.869 1.00 4.96 C ATOM 1189 CD1 ILE A 256 5.711 22.572 24.236 1.00 9.35 C ATOM 0 H ILE A 256 5.941 18.559 22.071 1.00 5.97 H new ATOM 0 HA ILE A 256 5.011 19.906 24.204 1.00 5.55 H new ATOM 0 HB ILE A 256 6.189 20.718 22.278 1.00 4.97 H new ATOM 0 HG12 ILE A 256 5.038 22.911 22.328 1.00 7.38 H new ATOM 0 HG13 ILE A 256 3.962 22.222 23.222 1.00 7.38 H new ATOM 0 HG21 ILE A 256 5.096 21.665 20.423 1.00 4.96 H new ATOM 0 HG22 ILE A 256 5.095 20.082 20.420 1.00 4.96 H new ATOM 0 HG23 ILE A 256 3.789 20.874 20.840 1.00 4.96 H new ATOM 0 HD11 ILE A 256 5.430 23.440 24.566 1.00 9.35 H new ATOM 0 HD12 ILE A 256 5.562 21.902 24.921 1.00 9.35 H new ATOM 0 HD13 ILE A 256 6.655 22.602 24.013 1.00 9.35 H new ATOM 1190 N GLN A 257 2.817 18.612 22.295 1.00 5.11 N ATOM 1191 CA GLN A 257 1.355 18.367 22.274 1.00 5.31 C ATOM 1192 C GLN A 257 1.081 17.505 23.448 1.00 7.78 C ATOM 1193 O GLN A 257 -0.143 17.598 23.820 1.00 8.84 O ATOM 1194 CB GLN A 257 1.000 17.699 20.963 1.00 6.35 C ATOM 1195 CG GLN A 257 1.096 18.679 19.844 1.00 6.03 C ATOM 1196 CD GLN A 257 0.758 18.197 18.481 1.00 4.85 C ATOM 1197 OE1 GLN A 257 0.477 18.975 17.506 1.00 11.04 O ATOM 1198 NE2 GLN A 257 0.778 16.895 18.272 1.00 6.17 N ATOM 0 H GLN A 257 3.281 18.222 21.685 1.00 5.11 H new ATOM 0 HA GLN A 257 0.821 19.175 22.330 1.00 5.31 H new ATOM 0 HB2 GLN A 257 1.598 16.953 20.800 1.00 6.35 H new ATOM 0 HB3 GLN A 257 0.101 17.338 21.009 1.00 6.35 H new ATOM 0 HG2 GLN A 257 0.514 19.427 20.050 1.00 6.03 H new ATOM 0 HG3 GLN A 257 2.003 19.023 19.824 1.00 6.03 H new ATOM 0 HE21 GLN A 257 0.965 16.359 18.918 1.00 6.17 H new ATOM 0 HE22 GLN A 257 0.604 16.582 17.490 1.00 6.17 H new ATOM 1199 N ALA A 258 1.872 16.728 24.052 1.00 7.46 N ATOM 1200 CA ALA A 258 1.563 15.903 25.215 1.00 7.56 C ATOM 1201 C ALA A 258 1.337 16.772 26.437 1.00 8.97 C ATOM 1202 O ALA A 258 0.828 16.301 27.454 1.00 11.20 O ATOM 1203 CB ALA A 258 2.739 14.968 25.470 1.00 11.30 C ATOM 0 H ALA A 258 2.688 16.634 23.798 1.00 7.46 H new ATOM 0 HA ALA A 258 0.755 15.395 25.044 1.00 7.56 H new ATOM 0 HB1 ALA A 258 2.549 14.412 26.242 1.00 11.30 H new ATOM 0 HB2 ALA A 258 2.880 14.405 24.693 1.00 11.30 H new ATOM 0 HB3 ALA A 258 3.538 15.491 25.638 1.00 11.30 H new ATOM 1204 N ILE A 259 1.734 18.045 26.417 1.00 7.55 N ATOM 1205 CA ILE A 259 1.592 18.975 27.517 1.00 5.69 C ATOM 1206 C ILE A 259 0.478 20.029 27.265 1.00 6.73 C ATOM 1207 O ILE A 259 -0.212 20.407 28.267 1.00 10.85 O ATOM 1208 CB ILE A 259 2.933 19.825 27.730 1.00 10.90 C ATOM 1209 CG1 ILE A 259 4.142 18.879 27.918 1.00 14.38 C ATOM 1210 CG2 ILE A 259 2.780 20.848 28.876 1.00 13.28 C ATOM 1211 CD1 ILE A 259 5.465 19.724 28.030 1.00 12.79 C ATOM 0 H ILE A 259 2.109 18.398 25.728 1.00 7.55 H new ATOM 0 HA ILE A 259 1.379 18.423 28.286 1.00 5.69 H new ATOM 0 HB ILE A 259 3.102 20.349 26.931 1.00 10.90 H new ATOM 0 HG12 ILE A 259 4.022 18.342 28.717 1.00 14.38 H new ATOM 0 HG13 ILE A 259 4.203 18.265 27.170 1.00 14.38 H new ATOM 0 HG21 ILE A 259 3.607 21.345 28.979 1.00 13.28 H new ATOM 0 HG22 ILE A 259 2.058 21.462 28.668 1.00 13.28 H new ATOM 0 HG23 ILE A 259 2.579 20.381 29.702 1.00 13.28 H new ATOM 0 HD11 ILE A 259 6.221 19.128 28.148 1.00 12.79 H new ATOM 0 HD12 ILE A 259 5.587 20.244 27.220 1.00 12.79 H new ATOM 0 HD13 ILE A 259 5.404 20.322 28.791 1.00 12.79 H new ATOM 1212 N TYR A 260 0.339 20.428 26.025 1.00 5.75 N ATOM 1213 CA TYR A 260 -0.684 21.507 25.787 1.00 8.56 C ATOM 1214 C TYR A 260 -1.755 21.150 24.760 1.00 7.66 C ATOM 1215 O TYR A 260 -2.599 22.037 24.467 1.00 9.44 O ATOM 1216 CB TYR A 260 0.061 22.782 25.196 1.00 11.65 C ATOM 1217 CG TYR A 260 1.051 23.319 26.207 1.00 6.73 C ATOM 1218 CD1 TYR A 260 0.664 24.009 27.336 1.00 7.67 C ATOM 1219 CD2 TYR A 260 2.435 23.100 26.093 1.00 7.34 C ATOM 1220 CE1 TYR A 260 1.461 24.456 28.347 1.00 7.45 C ATOM 1221 CE2 TYR A 260 3.319 23.597 27.042 1.00 6.58 C ATOM 1222 CZ TYR A 260 2.851 24.273 28.154 1.00 6.16 C ATOM 1223 OH TYR A 260 3.728 24.675 29.111 1.00 9.38 O ATOM 0 H TYR A 260 0.769 20.138 25.339 1.00 5.75 H new ATOM 0 HA TYR A 260 -1.115 21.651 26.644 1.00 8.56 H new ATOM 0 HB2 TYR A 260 0.521 22.545 24.376 1.00 11.65 H new ATOM 0 HB3 TYR A 260 -0.586 23.468 24.970 1.00 11.65 H new ATOM 0 HD1 TYR A 260 -0.245 24.190 27.417 1.00 7.67 H new ATOM 0 HD2 TYR A 260 2.764 22.615 25.371 1.00 7.34 H new ATOM 0 HE1 TYR A 260 1.115 24.855 29.113 1.00 7.45 H new ATOM 0 HE2 TYR A 260 4.234 23.474 26.929 1.00 6.58 H new ATOM 0 HH TYR A 260 4.437 24.230 29.046 1.00 9.38 H new ATOM 1224 N GLY A 261 -1.760 19.948 24.260 1.00 7.79 N ATOM 1225 CA GLY A 261 -2.773 19.620 23.255 1.00 10.17 C ATOM 1226 C GLY A 261 -2.406 20.101 21.902 1.00 9.37 C ATOM 1227 O GLY A 261 -1.253 20.644 21.701 1.00 9.92 O ATOM 0 H GLY A 261 -1.215 19.316 24.467 1.00 7.79 H new ATOM 0 HA2 GLY A 261 -2.900 18.659 23.230 1.00 10.17 H new ATOM 0 HA3 GLY A 261 -3.621 20.012 23.515 1.00 10.17 H new ATOM 1228 N ARG A 262 -3.202 19.941 20.886 1.00 9.08 N ATOM 1229 CA ARG A 262 -2.913 20.336 19.527 1.00 9.71 C ATOM 1230 C ARG A 262 -3.745 21.503 19.071 1.00 15.51 C ATOM 1231 O ARG A 262 -4.878 21.737 19.567 1.00 12.41 O ATOM 1232 CB ARG A 262 -3.330 19.190 18.573 1.00 11.30 C ATOM 1233 CG ARG A 262 -2.729 17.901 19.039 1.00 15.13 C ATOM 1234 CD ARG A 262 -2.764 16.845 17.991 1.00 24.38 C ATOM 1235 NE ARG A 262 -4.140 16.508 17.661 1.00 34.12 N ATOM 1236 CZ ARG A 262 -4.831 15.586 18.351 1.00 40.10 C ATOM 1237 NH1 ARG A 262 -4.229 14.903 19.329 1.00 41.46 N ATOM 1238 NH2 ARG A 262 -6.107 15.355 18.034 1.00 42.47 N ATOM 0 H ARG A 262 -3.977 19.577 20.967 1.00 9.08 H new ATOM 0 HA ARG A 262 -1.968 20.556 19.507 1.00 9.71 H new ATOM 0 HB2 ARG A 262 -4.297 19.115 18.546 1.00 11.30 H new ATOM 0 HB3 ARG A 262 -3.036 19.386 17.670 1.00 11.30 H new ATOM 0 HG2 ARG A 262 -1.810 18.055 19.309 1.00 15.13 H new ATOM 0 HG3 ARG A 262 -3.207 17.590 19.824 1.00 15.13 H new ATOM 0 HD2 ARG A 262 -2.300 17.153 17.197 1.00 24.38 H new ATOM 0 HD3 ARG A 262 -2.297 16.055 18.304 1.00 24.38 H new ATOM 0 HE ARG A 262 -4.522 16.911 17.005 1.00 34.12 H new ATOM 0 HH11 ARG A 262 -3.403 15.055 19.514 1.00 41.46 H new ATOM 0 HH12 ARG A 262 -4.668 14.312 19.773 1.00 41.46 H new ATOM 0 HH21 ARG A 262 -6.477 15.794 17.394 1.00 42.47 H new ATOM 0 HH22 ARG A 262 -6.559 14.767 18.469 1.00 42.47 H new ATOM 1239 N SER A 263 -3.171 22.213 18.124 1.00 12.67 N ATOM 1240 CA SER A 263 -3.927 23.367 17.577 1.00 17.63 C ATOM 1241 C SER A 263 -4.905 22.688 16.594 1.00 24.32 C ATOM 1242 O SER A 263 -4.732 21.501 16.214 1.00 27.35 O ATOM 1243 CB SER A 263 -2.993 24.291 16.834 1.00 22.46 C ATOM 1244 OG SER A 263 -2.236 23.499 15.925 1.00 26.29 O ATOM 0 H SER A 263 -2.392 22.072 17.787 1.00 12.67 H new ATOM 0 HA SER A 263 -4.367 23.905 18.253 1.00 17.63 H new ATOM 0 HB2 SER A 263 -3.494 24.971 16.357 1.00 22.46 H new ATOM 0 HB3 SER A 263 -2.407 24.753 17.453 1.00 22.46 H new ATOM 0 HG SER A 263 -1.582 23.944 15.642 1.00 26.29 H new TER 1245 SER A 263 HETATM 1246 ZN ZN A 275 18.709 22.099 26.605 1.00 6.28 ZN HETATM 1247 ZN ZN A 276 21.375 31.933 33.620 1.00 7.64 ZN HETATM 1248 CA CA A 277 29.652 29.184 26.544 1.00 6.08 CA HETATM 1249 C1 PLH A 280 21.142 23.330 26.800 1.00 4.51 C HETATM 1250 C2 PLH A 280 22.638 23.426 26.496 1.00 3.35 C HETATM 1251 C3 PLH A 280 22.978 23.165 24.988 1.00 3.97 C HETATM 1252 C4 PLH A 280 22.178 24.047 23.997 1.00 7.46 C HETATM 1253 C5 PLH A 280 22.230 23.602 22.498 1.00 7.83 C HETATM 1254 C6 PLH A 280 21.576 22.270 22.232 1.00 9.60 C HETATM 1255 C7 PLH A 280 21.577 24.690 21.661 1.00 10.50 C HETATM 1256 C8 PLH A 280 24.454 23.213 24.648 1.00 4.30 C HETATM 1257 C9 PLH A 280 26.465 21.982 24.231 1.00 2.42 C HETATM 1258 C10 PLH A 280 26.865 22.231 22.827 1.00 1.27 C HETATM 1259 C11 PLH A 280 28.379 23.489 21.422 1.00 8.02 C HETATM 1260 C12 PLH A 280 26.907 20.534 24.586 1.00 4.13 C HETATM 1261 C13 PLH A 280 28.411 20.387 24.540 1.00 6.18 C HETATM 1262 C14 PLH A 280 29.182 20.835 25.609 1.00 8.86 C HETATM 1263 C15 PLH A 280 30.586 20.682 25.558 1.00 8.41 C HETATM 1264 C16 PLH A 280 31.131 20.200 24.397 1.00 7.60 C HETATM 1265 C17 PLH A 280 30.418 19.604 23.416 1.00 9.45 C HETATM 1266 C18 PLH A 280 29.003 19.688 23.481 1.00 6.99 C HETATM 1267 N1 PLH A 280 20.491 24.421 27.041 1.00 4.67 N HETATM 1268 N2 PLH A 280 25.001 22.042 24.328 1.00 4.42 N HETATM 1269 N3 PLH A 280 27.878 23.129 22.700 1.00 6.64 N HETATM 1270 O1 PLH A 280 19.143 24.165 27.203 1.00 5.40 O HETATM 1271 O2 PLH A 280 20.760 22.141 26.735 1.00 3.95 O HETATM 1272 O3 PLH A 280 25.024 24.273 24.806 1.00 6.49 O HETATM 1273 O4 PLH A 280 26.396 21.629 21.848 1.00 5.48 O HETATM 0 H122 PLH A 280 26.585 20.304 25.472 1.00 4.13 H new HETATM 0 H121 PLH A 280 26.500 19.909 23.965 1.00 4.13 H new HETATM 0 H113 PLH A 280 28.720 22.699 20.974 1.00 8.02 H new HETATM 0 H112 PLH A 280 27.665 23.878 20.892 1.00 8.02 H new HETATM 0 H111 PLH A 280 29.094 24.136 21.525 1.00 8.02 H new HETATM 0 HN3 PLH A 280 28.220 23.484 23.405 1.00 6.64 H new HETATM 0 HN2 PLH A 280 24.515 21.347 24.184 1.00 4.42 H new HETATM 0 HN1 PLH A 280 20.849 25.201 27.093 1.00 4.67 H new HETATM 0 H9 PLH A 280 26.866 22.637 24.824 1.00 2.42 H new HETATM 0 H73 PLH A 280 20.656 24.807 21.943 1.00 10.50 H new HETATM 0 H72 PLH A 280 22.060 25.523 21.779 1.00 10.50 H new HETATM 0 H71 PLH A 280 21.598 24.435 20.725 1.00 10.50 H new HETATM 0 H63 PLH A 280 22.021 21.582 22.751 1.00 9.60 H new HETATM 0 H62 PLH A 280 20.641 22.312 22.486 1.00 9.60 H new HETATM 0 H61 PLH A 280 21.645 22.058 21.288 1.00 9.60 H new HETATM 0 H5 PLH A 280 23.162 23.481 22.258 1.00 7.83 H new HETATM 0 H42 PLH A 280 21.250 24.063 24.280 1.00 7.46 H new HETATM 0 H41 PLH A 280 22.510 24.956 24.059 1.00 7.46 H new HETATM 0 H3 PLH A 280 22.690 22.246 24.871 1.00 3.97 H new HETATM 0 H22 PLH A 280 22.957 24.307 26.746 1.00 3.35 H new HETATM 0 H21 PLH A 280 23.116 22.785 27.045 1.00 3.35 H new HETATM 0 H18 PLH A 280 28.454 19.267 22.801 1.00 6.99 H new HETATM 0 H17 PLH A 280 30.859 19.134 22.691 1.00 9.45 H new HETATM 0 H16 PLH A 280 32.088 20.292 24.271 1.00 7.60 H new HETATM 0 H15 PLH A 280 31.144 20.910 26.318 1.00 8.41 H new HETATM 0 H14 PLH A 280 28.761 21.247 26.379 1.00 8.86 H new HETATM 1274 O HOH A 281 21.182 35.261 42.935 1.00 39.22 O HETATM 1275 O HOH A 282 33.024 33.183 20.578 1.00 28.44 O HETATM 1276 O HOH A 283 6.037 24.449 13.632 1.00 15.12 O HETATM 1277 O HOH A 284 10.675 42.659 24.206 1.00 13.25 O HETATM 1278 O HOH A 285 12.820 44.427 23.179 1.00 28.64 O HETATM 1279 O HOH A 286 10.409 48.040 32.460 1.00 30.92 O HETATM 1280 O HOH A 287 19.924 20.528 19.622 1.00 8.09 O HETATM 1281 O HOH A 288 35.685 26.665 23.351 1.00 48.11 O HETATM 1282 O HOH A 289 27.641 26.936 31.942 1.00 20.49 O HETATM 1283 O HOH A 290 28.754 22.332 29.106 1.00 20.37 O HETATM 1284 O HOH A 291 27.941 24.272 33.139 1.00 19.75 O HETATM 1285 O HOH A 292 17.166 22.615 31.039 1.00 33.80 O HETATM 1286 O HOH A 293 12.371 36.967 35.427 1.00 17.87 O HETATM 1287 O HOH A 294 25.900 26.487 12.728 1.00 16.60 O HETATM 1288 O HOH A 295 18.705 24.549 30.004 1.00 11.33 O HETATM 1289 O HOH A 296 26.016 19.246 28.217 1.00 29.52 O HETATM 1290 O HOH A 297 11.681 16.511 24.456 1.00 20.73 O HETATM 1291 O HOH A 298 16.272 36.643 31.101 1.00 12.04 O HETATM 1292 O HOH A 299 21.069 45.763 24.736 1.00 26.82 O HETATM 1293 O HOH A 300 12.380 28.279 11.463 1.00 17.23 O HETATM 1294 O HOH A 301 -1.402 28.790 18.361 1.00 18.84 O HETATM 1295 O HOH A 302 -0.240 36.573 25.108 1.00 19.55 O HETATM 1296 O HOH A 303 0.130 35.239 30.728 1.00 12.81 O HETATM 1297 O HOH A 304 2.332 38.321 31.460 1.00 14.02 O HETATM 1298 O HOH A 305 4.160 46.224 28.682 1.00 15.45 O HETATM 1299 O HOH A 306 4.027 46.453 25.952 1.00 27.56 O HETATM 1300 O HOH A 307 25.019 32.703 36.886 1.00 8.26 O HETATM 1301 O HOH A 308 25.402 33.485 41.029 1.00 14.94 O HETATM 1302 O HOH A 309 30.343 33.400 29.466 1.00 6.88 O HETATM 1303 O HOH A 310 29.666 24.200 30.789 1.00 14.08 O HETATM 1304 O HOH A 311 28.521 26.722 35.928 1.00 16.34 O HETATM 1305 O HOH A 312 22.754 19.973 26.844 1.00 17.48 O HETATM 1306 O HOH A 313 30.307 23.270 18.373 1.00 30.11 O HETATM 1307 O HOH A 314 7.254 33.232 35.266 1.00 22.26 O HETATM 1308 O HOH A 315 31.118 30.916 20.073 1.00 11.18 O HETATM 1309 O HOH A 316 31.288 30.319 17.307 1.00 12.60 O HETATM 1310 O HOH A 317 19.490 33.572 13.904 1.00 8.90 O HETATM 1311 O HOH A 318 11.542 27.111 37.120 1.00 31.74 O HETATM 1312 O HOH A 319 10.076 16.386 27.049 1.00 33.41 O HETATM 1313 O HOH A 320 11.928 16.603 21.596 1.00 10.27 O HETATM 1314 O HOH A 321 19.253 17.953 16.368 1.00 18.37 O HETATM 1315 O HOH A 322 21.647 9.608 20.327 1.00 29.22 O HETATM 1316 O HOH A 323 11.435 12.755 15.480 1.00 18.10 O HETATM 1317 O HOH A 324 1.545 13.938 21.960 1.00 17.92 O HETATM 1318 O HOH A 325 16.169 35.759 34.373 1.00 10.75 O HETATM 1319 O HOH A 326 9.891 34.412 34.309 1.00 12.23 O HETATM 1320 O HOH A 327 4.750 34.172 34.937 1.00 20.34 O HETATM 1321 O HOH A 328 -1.686 25.854 29.319 1.00 21.11 O HETATM 1322 O HOH A 329 3.785 39.849 19.897 1.00 26.10 O HETATM 1323 O HOH A 330 1.355 33.469 19.124 1.00 21.80 O HETATM 1324 O HOH A 331 10.560 39.198 18.872 1.00 18.50 O HETATM 1325 O HOH A 332 12.761 45.158 26.819 1.00 30.42 O HETATM 1326 O HOH A 333 19.537 38.262 33.058 1.00 24.22 O HETATM 1327 O HOH A 334 27.351 37.537 13.842 1.00 26.11 O HETATM 1328 O HOH A 335 25.535 36.325 11.154 1.00 25.43 O HETATM 1329 O HOH A 336 27.906 34.917 9.948 1.00 29.50 O HETATM 1330 O HOH A 337 5.966 34.830 17.432 1.00 26.54 O HETATM 1331 O HOH A 338 8.250 23.210 12.277 1.00 16.37 O HETATM 1332 O HOH A 339 9.353 37.697 34.925 1.00 24.67 O HETATM 1333 O HOH A 340 26.232 39.332 32.211 1.00 18.41 O HETATM 1334 O HOH A 341 27.689 38.922 34.723 1.00 25.51 O HETATM 1335 O HOH A 342 31.569 36.174 35.918 1.00 21.83 O HETATM 1336 O HOH A 343 20.090 36.405 35.502 1.00 23.49 O HETATM 1337 O HOH A 344 19.309 29.420 39.267 1.00 23.99 O HETATM 1338 O HOH A 345 18.697 31.727 40.873 1.00 33.41 O HETATM 1339 O HOH A 346 19.540 30.412 44.936 1.00 38.65 O HETATM 1340 O HOH A 347 24.756 24.733 37.829 1.00 29.64 O HETATM 1341 O HOH A 348 24.373 26.590 31.611 1.00 19.25 O HETATM 1342 O HOH A 349 32.808 23.538 22.965 1.00 25.01 O HETATM 1343 O HOH A 350 33.407 25.409 28.899 1.00 22.14 O HETATM 1344 O HOH A 351 14.135 24.645 35.424 1.00 23.24 O HETATM 1345 O HOH A 352 33.675 31.917 16.880 1.00 28.90 O HETATM 1346 O HOH A 353 32.758 28.056 16.821 1.00 26.77 O HETATM 1347 O HOH A 354 18.498 32.714 11.290 1.00 30.09 O HETATM 1348 O HOH A 355 34.320 29.689 11.173 1.00 24.69 O HETATM 1349 O HOH A 356 31.009 27.763 11.975 1.00 23.84 O HETATM 1350 O HOH A 357 18.479 22.683 12.424 1.00 20.71 O HETATM 1351 O HOH A 358 15.713 21.647 12.037 1.00 22.79 O HETATM 1352 O HOH A 359 7.833 20.681 11.522 1.00 24.94 O HETATM 1353 O HOH A 360 10.892 13.884 12.285 1.00 26.80 O HETATM 1354 O HOH A 361 -2.100 14.417 20.724 1.00 25.63 O HETATM 1355 O HOH A 362 33.589 36.595 34.242 1.00 40.30 O HETATM 1356 O HOH A 363 20.856 32.676 42.358 1.00 29.24 O HETATM 1357 O HOH A 364 27.465 37.896 21.602 1.00 25.80 O HETATM 1358 O HOH A 365 17.981 35.353 36.788 1.00 28.73 O HETATM 1359 O HOH A 366 18.639 25.843 33.770 1.00 32.86 O HETATM 1360 O HOH A 367 25.433 22.905 33.607 1.00 39.93 O HETATM 1361 O HOH A 368 18.340 34.642 39.515 1.00 32.83 O CONECT 512 1247 CONECT 531 1247 CONECT 570 1248 CONECT 575 1248 CONECT 586 1248 CONECT 594 1248 CONECT 621 1247 CONECT 704 1247 CONECT 726 1248 CONECT 752 1248 CONECT 907 1246 CONECT 938 1246 CONECT 980 1246 CONECT 1246 907 938 980 1270 CONECT 1246 1271 CONECT 1247 512 531 621 704 CONECT 1248 570 575 586 594 CONECT 1248 726 752 CONECT 1249 1250 1267 1271 CONECT 1250 1249 1251 CONECT 1251 1250 1252 1256 CONECT 1252 1251 1253 CONECT 1253 1252 1254 1255 CONECT 1254 1253 CONECT 1255 1253 CONECT 1256 1251 1268 1272 CONECT 1257 1258 1260 1268 CONECT 1258 1257 1269 1273 CONECT 1259 1269 CONECT 1260 1257 1261 CONECT 1261 1260 1262 1266 CONECT 1262 1261 1263 CONECT 1263 1262 1264 CONECT 1264 1263 1265 CONECT 1265 1264 1266 CONECT 1266 1261 1265 CONECT 1267 1249 1270 CONECT 1268 1256 1257 CONECT 1269 1258 1259 CONECT 1270 1246 1267 CONECT 1271 1246 1249 CONECT 1272 1256 CONECT 1273 1258 END