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*** LYASE (OXO-ACID) 04-MAR-94 1CRM ***elNémo ID: 260221185340572269Job options:ID = 260221185340572269 JOBID = LYASE (OXO-ACID) 04-MAR-94 1CRM USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER LYASE (OXO-ACID) 04-MAR-94 1CRM TITLE STRUCTURE AND FUNCTION OF CARBONIC ANHYDRASES COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARBONIC ANHYDRASE I; COMPND 3 CHAIN: A; COMPND 4 EC: 4.2.1.1; 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 LYASE (OXO-ACID) EXPDTA X-RAY DIFFRACTION AUTHOR V.S.YADAVA,K.K.KANNAN REVDAT 4 07-FEB-24 1CRM 1 REMARK SEQADV REVDAT 3 29-NOV-17 1CRM 1 HELIX REVDAT 2 24-FEB-09 1CRM 1 VERSN REVDAT 1 07-FEB-95 1CRM 0 JRNL AUTH K.K.KANNAN JRNL TITL STRUCTURE AND FUNCTION OF CARBONIC ANHYDRASES JRNL EDIT R.SRINIVASAN JRNL REF BIOMOLECULAR STRUCTURE, V. 1 165 1981 JRNL REF 2 CONFORMATION, FUNCTION AND JRNL REF 3 EVOLUTION JRNL PUBL PERGAMON PRESS, OXFORD JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.K.KANNAN,K.FRIDBORG,P.C.BERGSTEN,A.LILJAS,S.LOVGREN, REMARK 1 AUTH 2 M.PETEF,B.STRANDBERG,I.WAARA,L.ALDER,S.O.FALKBRING, REMARK 1 AUTH 3 P.O.GOTHE,P.O.NYMAN REMARK 1 TITL STRUCTURE OF HUMAN CARBONIC ANHYDRASE B. I. CRYSTALLIZATION REMARK 1 TITL 2 AND HEAVY ATOM MODIFICATION REMARK 1 REF J.MOL.BIOL. V. 63 601 1972 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 14584 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) : 0.177 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 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 : 2009 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 7 REMARK 3 SOLVENT ATOMS : 262 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) : 0.015 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.032 ; 0.030 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) : 0.013 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.154 ; 0.150 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.041 ; 0.050 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) : 2.400 ; 2.400 REMARK 3 STAGGERED (DEGREES) : 17.400; 17.400 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: REMARK 3 THE HG2+ BOUND TO CYS 212 IS DISORDERED WITH TWO SITES FOR REMARK 3 HG2+ SEPARATED BY ABOUT 1.6 ANGSTROMS. CYS 212 SHOWS REMARK 3 MULTIPLE CONFORMATIONS. THESE FEATURES ARE CLEARLY SEEN IN REMARK 3 (FO - FC) MAP. REMARK 4 REMARK 4 1CRM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000172484. 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: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 39.11 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.02 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 40.92500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.87950 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 37.65500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 18.87950 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 40.92500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 37.65500 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 400 REMARK 400 COMPOUND REMARK 400 SECONDARY STRUCTURE ELEMENTS AND TURNS HAVE BEEN IDENTIFIED REMARK 400 USING W.KABSCH AND C.SANDER'S ALGORITHM (PROGRAM *DSSP*; REMARK 400 AUTHORS W.KABSCH AND C.SANDER). 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 ALA A 1 REMARK 465 SER A 2 REMARK 465 PRO A 3 REMARK 465 ASP A 4 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 297 O HOH A 461 1.95 REMARK 500 O LYS A 18 O HOH A 464 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 CD LYS A 45 OE1 GLN A 74 2555 2.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 9 CB - CG - OD1 ANGL. DEV. = 7.5 DEGREES REMARK 500 ARG A 76 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 89 NE - CZ - NH1 ANGL. DEV. = 5.1 DEGREES REMARK 500 GLU A 117 CG - CD - OE2 ANGL. DEV. = 12.6 DEGREES REMARK 500 ASP A 162 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ARG A 257 NE - CZ - NH1 ANGL. DEV. = 4.9 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 LYS A 57 -58.92 -124.95 REMARK 500 ASP A 75 35.92 -99.27 REMARK 500 ASN A 244 41.49 -157.45 REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 THE HG2+ WHICH REPLACES ZN2+ IS 0.5A AWAY FROM ZN2+ REMARK 600 POSITION IN THE NATIVE ENZYME. RESIDUES SER 188 AND REMARK 600 LEU 189 HAVE MOVED BY LARGE DISTANCE COMPARED TO THE NATIVE REMARK 600 STRUCTURE. REMARK 600 REMARK 600 THE WATER MOLECULE OBSERVED AT FOURTH COORDINATION OF ZN2+ REMARK 600 IN THE NATIVE ENZYME IS NOT PRESENT IN THIS COMPLEX AND IS REMARK 600 PROBABLY A REASON FOR THE LOSS OF ENZYME ACTIVITY WHEN ZN2+ REMARK 600 IS REPLACED BY HG2+. 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 HG A 261 HG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 94 NE2 REMARK 620 2 HIS A 96 NE2 101.1 REMARK 620 3 HIS A 119 ND1 99.6 91.8 REMARK 620 N 1 2 REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. STRANDS 1 - 3 AND 5 - 10 OF AS1 REMARK 700 AND BS1 ARE IDENTICAL. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: RESIDUES TYR 7, VAL 62, HIS 64, SER 65, HIS 67, REMARK 800 ASN 69, GLN 92, GLU 106, GLU 117, THR 199, HIS 200 ARE REMARK 800 HYDROPHILIC, WHILE PHE 91, ALA 121, LEU 131, ALA 135, LEU 141, REMARK 800 VAL 143, LEU 198, PRO 201, PRO 202, TYR 204, SER 206, VAL 207, REMARK 800 TRP 209 ARE HYDROPHOBIC REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HG A 261 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HG A 262 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 263 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HG A 264 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 265 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HG A 267 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE H2S A 266 DBREF 1CRM A 1 260 UNP P00915 CAH1_HUMAN 1 260 SEQADV 1CRM GLN A 74 UNP P00915 ASP 74 CONFLICT SEQADV 1CRM ASP A 75 UNP P00915 ASN 75 CONFLICT SEQRES 1 A 260 ALA SER PRO ASP TRP GLY TYR ASP ASP LYS ASN GLY PRO SEQRES 2 A 260 GLU GLN TRP SER LYS LEU TYR PRO ILE ALA ASN GLY ASN SEQRES 3 A 260 ASN GLN SER PRO VAL ASP ILE LYS THR SER GLU THR LYS SEQRES 4 A 260 HIS ASP THR SER LEU LYS PRO ILE SER VAL SER TYR ASN SEQRES 5 A 260 PRO ALA THR ALA LYS GLU ILE ILE ASN VAL GLY HIS SER SEQRES 6 A 260 PHE HIS VAL ASN PHE GLU ASP ASN GLN ASP ARG SER VAL SEQRES 7 A 260 LEU LYS GLY GLY PRO PHE SER ASP SER TYR ARG LEU PHE SEQRES 8 A 260 GLN PHE HIS PHE HIS TRP GLY SER THR ASN GLU HIS GLY SEQRES 9 A 260 SER GLU HIS THR VAL ASP GLY VAL LYS TYR SER ALA GLU SEQRES 10 A 260 LEU HIS VAL ALA HIS TRP ASN SER ALA LYS TYR SER SER SEQRES 11 A 260 LEU ALA GLU ALA ALA SER LYS ALA ASP GLY LEU ALA VAL SEQRES 12 A 260 ILE GLY VAL LEU MET LYS VAL GLY GLU ALA ASN PRO LYS SEQRES 13 A 260 LEU GLN LYS VAL LEU ASP ALA LEU GLN ALA ILE LYS THR SEQRES 14 A 260 LYS GLY LYS ARG ALA PRO PHE THR ASN PHE ASP PRO SER SEQRES 15 A 260 THR LEU LEU PRO SER SER LEU ASP PHE TRP THR TYR PRO SEQRES 16 A 260 GLY SER LEU THR HIS PRO PRO LEU TYR GLU SER VAL THR SEQRES 17 A 260 TRP ILE ILE CYS LYS GLU SER ILE SER VAL SER SER GLU SEQRES 18 A 260 GLN LEU ALA GLN PHE ARG SER LEU LEU SER ASN VAL GLU SEQRES 19 A 260 GLY ASP ASN ALA VAL PRO MET GLN HIS ASN ASN ARG PRO SEQRES 20 A 260 THR GLN PRO LEU LYS GLY ARG THR VAL ARG ALA SER PHE HET HG A 261 1 HET HG A 262 1 HET CL A 263 1 HET HG A 264 1 HET CL A 265 1 HET HG A 267 1 HET H2S A 266 1 HETNAM HG MERCURY (II) ION HETNAM CL CHLORIDE ION HETNAM H2S HYDROSULFURIC ACID HETSYN H2S HYDROGEN SULFIDE FORMUL 2 HG 4(HG 2+) FORMUL 4 CL 2(CL 1-) FORMUL 8 H2S H2 S FORMUL 9 HOH *262(H2 O) HELIX 1 HA PRO A 13 GLN A 15 5CONTIGUOUS WITH HELIX B 3 HELIX 2 HB TRP A 16 LEU A 19 1CONTIGUOUS WITH HELIX A 4 HELIX 3 HC PRO A 21 ASN A 24 5CONTIGUOUS WITH HELIX B 4 HELIX 4 HD PRO A 53 THR A 55 5 3 HELIX 5 HE LEU A 131 ALA A 134 1 4 HELIX 6 HF PRO A 155 LEU A 157 5CONTIGUOUS WITH HELIX G 3 HELIX 7 HG GLN A 158 ALA A 163 1CONTIGUOUS WITH HELIX F & H 6 HELIX 8 HH GLN A 165 ILE A 167 5CONTIGUOUS WITH HELIX G 3 HELIX 9 HI PRO A 181 LEU A 184 5 4 HELIX 10 HJ SER A 220 PHE A 226 1 7 SHEET 1 AS110 LYS A 39 HIS A 40 0 SHEET 2 AS110 ARG A 257 ALA A 258 1 SHEET 3 AS110 PHE A 191 GLY A 196 -1 SHEET 4 AS110 VAL A 207 CYS A 212 -1 SHEET 5 AS110 LEU A 141 VAL A 150 1 SHEET 6 AS110 ALA A 116 ASN A 124 -1 SHEET 7 AS110 TYR A 88 TRP A 97 -1 SHEET 8 AS110 PHE A 66 PHE A 70 -1 SHEET 9 AS110 ALA A 56 ASN A 61 -1 SHEET 10 AS110 ARG A 173 PHE A 176 -1 SHEET 1 BS110 LYS A 39 HIS A 40 0 SHEET 2 BS110 ARG A 257 ALA A 258 1 SHEET 3 BS110 PHE A 191 GLY A 196 -1 SHEET 4 BS110 ILE A 216 VAL A 218 -1 SHEET 5 BS110 LEU A 141 VAL A 150 1 SHEET 6 BS110 ALA A 116 ASN A 124 -1 SHEET 7 BS110 TYR A 88 TRP A 97 -1 SHEET 8 BS110 PHE A 66 PHE A 70 -1 SHEET 9 BS110 ALA A 56 ASN A 61 -1 SHEET 10 BS110 ARG A 173 PHE A 176 -1 SHEET 1 BS2 3 ILE A 47 SER A 50 0 SHEET 2 BS2 3 VAL A 78 GLY A 81 -1 SHEET 3 BS2 3 TYR A 88 TRP A 97 -1 LINK NE2 HIS A 94 HG HG A 261 1555 1555 2.28 LINK NE2 HIS A 96 HG HG A 261 1555 1555 2.39 LINK ND1 HIS A 119 HG HG A 261 1555 1555 2.22 CISPEP 1 SER A 29 PRO A 30 0 0.32 CISPEP 2 PRO A 201 PRO A 202 0 1.54 SITE 1 CAT 24 TYR A 7 VAL A 62 HIS A 64 SER A 65 SITE 2 CAT 24 HIS A 67 ASN A 69 PHE A 91 GLN A 92 SITE 3 CAT 24 GLU A 106 GLU A 117 ALA A 121 LEU A 131 SITE 4 CAT 24 ALA A 135 LEU A 141 VAL A 143 LEU A 198 SITE 5 CAT 24 THR A 199 HIS A 200 PRO A 201 PRO A 202 SITE 6 CAT 24 TYR A 204 SER A 206 VAL A 207 TRP A 209 SITE 1 AC1 5 HIS A 94 HIS A 96 HIS A 119 THR A 199 SITE 2 AC1 5 CL A 263 SITE 1 AC2 4 CYS A 212 HG A 264 CL A 265 H2S A 266 SITE 1 AC3 2 THR A 199 HG A 261 SITE 1 AC4 6 SER A 188 ASP A 190 CYS A 212 HG A 262 SITE 2 AC4 6 CL A 265 H2S A 266 SITE 1 AC5 4 ILE A 47 LEU A 189 HG A 262 HG A 264 SITE 1 AC6 1 SER A 99 SITE 1 AC7 6 PRO A 186 SER A 188 CYS A 212 LYS A 213 SITE 2 AC7 6 HG A 262 HG A 264 CRYST1 81.850 75.310 37.759 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 0.012217 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013278 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026484 0.00000 ATOM 1 N TRP A 5 43.052 25.581 -27.126 1.00 20.27 N ATOM 2 CA TRP A 5 42.827 25.803 -25.653 1.00 19.18 C ATOM 3 C TRP A 5 43.771 24.849 -24.921 1.00 18.93 C ATOM 4 O TRP A 5 44.067 23.762 -25.451 1.00 19.25 O ATOM 5 CB TRP A 5 41.378 25.557 -25.293 1.00 17.98 C ATOM 6 CG TRP A 5 40.926 24.142 -25.287 1.00 17.22 C ATOM 7 CD1 TRP A 5 40.280 23.464 -26.288 1.00 16.91 C ATOM 8 CD2 TRP A 5 41.049 23.206 -24.192 1.00 16.43 C ATOM 9 NE1 TRP A 5 40.009 22.173 -25.886 1.00 16.58 N ATOM 10 CE2 TRP A 5 40.464 21.995 -24.610 1.00 16.12 C ATOM 11 CE3 TRP A 5 41.597 23.290 -22.918 1.00 15.96 C ATOM 12 CZ2 TRP A 5 40.434 20.872 -23.794 1.00 15.60 C ATOM 13 CZ3 TRP A 5 41.546 22.191 -22.104 1.00 15.44 C ATOM 14 CH2 TRP A 5 40.998 20.981 -22.535 1.00 15.39 C ATOM 15 N GLY A 6 44.199 25.272 -23.770 1.00 18.58 N ATOM 16 CA GLY A 6 45.115 24.420 -22.946 1.00 18.67 C ATOM 17 C GLY A 6 45.120 25.117 -21.585 1.00 18.57 C ATOM 18 O GLY A 6 44.101 25.758 -21.310 1.00 18.30 O ATOM 19 N TYR A 7 46.217 25.040 -20.876 1.00 18.54 N ATOM 20 CA TYR A 7 46.281 25.675 -19.568 1.00 19.14 C ATOM 21 C TYR A 7 47.419 26.650 -19.466 1.00 21.30 C ATOM 22 O TYR A 7 47.750 27.084 -18.345 1.00 22.04 O ATOM 23 CB TYR A 7 46.386 24.562 -18.487 1.00 17.93 C ATOM 24 CG TYR A 7 45.099 23.755 -18.346 1.00 16.26 C ATOM 25 CD1 TYR A 7 44.083 24.150 -17.485 1.00 15.61 C ATOM 26 CD2 TYR A 7 44.929 22.598 -19.081 1.00 15.79 C ATOM 27 CE1 TYR A 7 42.904 23.413 -17.379 1.00 15.02 C ATOM 28 CE2 TYR A 7 43.756 21.822 -18.980 1.00 15.50 C ATOM 29 CZ TYR A 7 42.749 22.252 -18.123 1.00 15.07 C ATOM 30 OH TYR A 7 41.612 21.504 -18.009 1.00 14.90 O ATOM 31 N ASP A 8 48.013 26.968 -20.596 1.00 24.24 N ATOM 32 CA ASP A 8 49.162 27.899 -20.694 1.00 26.49 C ATOM 33 C ASP A 8 48.682 29.338 -20.661 1.00 27.58 C ATOM 34 O ASP A 8 47.507 29.640 -20.897 1.00 27.81 O ATOM 35 CB ASP A 8 50.033 27.503 -21.901 1.00 27.26 C ATOM 36 CG ASP A 8 50.966 26.371 -21.460 1.00 28.30 C ATOM 37 OD1 ASP A 8 51.633 26.542 -20.417 1.00 29.01 O ATOM 38 OD2 ASP A 8 50.985 25.331 -22.155 1.00 28.72 O ATOM 39 N ASP A 9 49.601 30.220 -20.347 1.00 28.86 N ATOM 40 CA ASP A 9 49.325 31.673 -20.224 1.00 29.86 C ATOM 41 C ASP A 9 48.605 32.191 -21.451 1.00 29.70 C ATOM 42 O ASP A 9 47.753 33.092 -21.392 1.00 29.27 O ATOM 43 CB ASP A 9 50.622 32.372 -19.792 1.00 30.70 C ATOM 44 CG ASP A 9 50.908 32.347 -18.302 1.00 31.47 C ATOM 45 OD1 ASP A 9 51.245 31.346 -17.642 1.00 31.69 O ATOM 46 OD2 ASP A 9 50.809 33.449 -17.698 1.00 31.78 O ATOM 47 N LYS A 10 48.842 31.576 -22.596 1.00 30.32 N ATOM 48 CA LYS A 10 48.267 31.957 -23.869 1.00 30.70 C ATOM 49 C LYS A 10 46.919 31.395 -24.228 1.00 30.50 C ATOM 50 O LYS A 10 46.089 32.105 -24.853 1.00 31.17 O ATOM 51 CB LYS A 10 49.244 31.616 -25.021 1.00 31.86 C ATOM 52 CG LYS A 10 49.515 30.105 -25.178 1.00 32.56 C ATOM 53 CD LYS A 10 50.284 29.809 -26.479 1.00 32.72 C ATOM 54 CE LYS A 10 49.599 28.673 -27.231 1.00 33.14 C ATOM 55 NZ LYS A 10 50.375 27.416 -27.169 1.00 33.73 N ATOM 56 N ASN A 11 46.653 30.150 -23.910 1.00 29.90 N ATOM 57 CA ASN A 11 45.370 29.517 -24.289 1.00 28.82 C ATOM 58 C ASN A 11 44.621 28.914 -23.113 1.00 27.53 C ATOM 59 O ASN A 11 43.786 28.003 -23.299 1.00 26.98 O ATOM 60 CB ASN A 11 45.784 28.449 -25.337 1.00 29.79 C ATOM 61 CG ASN A 11 46.773 27.430 -24.806 1.00 30.16 C ATOM 62 OD1 ASN A 11 47.036 27.232 -23.606 1.00 30.63 O ATOM 63 ND2 ASN A 11 47.396 26.690 -25.732 1.00 30.87 N ATOM 64 N GLY A 12 44.932 29.383 -21.924 1.00 26.54 N ATOM 65 CA GLY A 12 44.434 28.934 -20.649 1.00 24.82 C ATOM 66 C GLY A 12 43.076 29.406 -20.209 1.00 23.27 C ATOM 67 O GLY A 12 42.344 30.053 -20.952 1.00 24.40 O ATOM 68 N PRO A 13 42.706 29.058 -18.970 1.00 21.94 N ATOM 69 CA PRO A 13 41.429 29.424 -18.398 1.00 21.34 C ATOM 70 C PRO A 13 40.981 30.870 -18.571 1.00 21.81 C ATOM 71 O PRO A 13 39.817 31.164 -18.915 1.00 20.03 O ATOM 72 CB PRO A 13 41.552 29.032 -16.922 1.00 20.43 C ATOM 73 CG PRO A 13 42.554 27.923 -16.920 1.00 20.90 C ATOM 74 CD PRO A 13 43.537 28.258 -18.039 1.00 20.86 C ATOM 75 N GLU A 14 41.884 31.812 -18.308 1.00 23.15 N ATOM 76 CA GLU A 14 41.512 33.230 -18.389 1.00 24.56 C ATOM 77 C GLU A 14 41.344 33.723 -19.797 1.00 25.09 C ATOM 78 O GLU A 14 41.060 34.931 -19.935 1.00 25.87 O ATOM 79 CB GLU A 14 42.474 34.140 -17.630 1.00 25.48 C ATOM 80 CG GLU A 14 42.891 33.620 -16.249 1.00 26.57 C ATOM 81 CD GLU A 14 41.786 33.677 -15.232 1.00 27.12 C ATOM 82 OE1 GLU A 14 40.962 34.560 -15.558 1.00 27.89 O ATOM 83 OE2 GLU A 14 41.673 33.002 -14.225 1.00 27.63 O ATOM 84 N GLN A 15 41.510 32.863 -20.793 1.00 25.19 N ATOM 85 CA GLN A 15 41.365 33.169 -22.197 1.00 24.89 C ATOM 86 C GLN A 15 40.259 32.326 -22.858 1.00 25.07 C ATOM 87 O GLN A 15 39.992 32.629 -24.043 1.00 24.99 O ATOM 88 CB GLN A 15 42.592 32.824 -23.065 1.00 25.50 C ATOM 89 CG GLN A 15 43.904 33.342 -22.592 1.00 26.06 C ATOM 90 CD GLN A 15 43.812 34.850 -22.383 1.00 26.58 C ATOM 91 OE1 GLN A 15 44.078 35.303 -21.268 1.00 27.54 O ATOM 92 NE2 GLN A 15 43.404 35.571 -23.410 1.00 26.54 N ATOM 93 N TRP A 16 39.734 31.327 -22.166 1.00 24.24 N ATOM 94 CA TRP A 16 38.723 30.440 -22.768 1.00 23.45 C ATOM 95 C TRP A 16 37.476 31.149 -23.276 1.00 24.15 C ATOM 96 O TRP A 16 36.856 30.638 -24.221 1.00 23.43 O ATOM 97 CB TRP A 16 38.407 29.225 -21.889 1.00 22.29 C ATOM 98 CG TRP A 16 39.442 28.196 -21.626 1.00 20.96 C ATOM 99 CD1 TRP A 16 40.620 27.986 -22.302 1.00 21.01 C ATOM 100 CD2 TRP A 16 39.427 27.178 -20.605 1.00 20.49 C ATOM 101 NE1 TRP A 16 41.319 26.918 -21.773 1.00 20.31 N ATOM 102 CE2 TRP A 16 40.602 26.402 -20.748 1.00 20.13 C ATOM 103 CE3 TRP A 16 38.521 26.858 -19.593 1.00 20.13 C ATOM 104 CZ2 TRP A 16 40.897 25.343 -19.905 1.00 20.23 C ATOM 105 CZ3 TRP A 16 38.811 25.812 -18.770 1.00 19.86 C ATOM 106 CH2 TRP A 16 39.982 25.064 -18.897 1.00 19.54 C ATOM 107 N SER A 17 37.079 32.275 -22.696 1.00 25.60 N ATOM 108 CA SER A 17 35.857 32.974 -23.120 1.00 26.47 C ATOM 109 C SER A 17 35.908 33.560 -24.520 1.00 27.05 C ATOM 110 O SER A 17 34.832 33.681 -25.141 1.00 27.52 O ATOM 111 CB SER A 17 35.418 34.029 -22.123 1.00 26.23 C ATOM 112 OG SER A 17 36.428 34.948 -21.869 1.00 25.90 O ATOM 113 N LYS A 18 37.090 33.914 -24.979 1.00 27.57 N ATOM 114 CA LYS A 18 37.275 34.480 -26.329 1.00 27.49 C ATOM 115 C LYS A 18 36.712 33.498 -27.345 1.00 27.21 C ATOM 116 O LYS A 18 36.095 33.927 -28.317 1.00 27.94 O ATOM 117 CB LYS A 18 38.720 34.760 -26.692 1.00 27.17 C ATOM 118 CG LYS A 18 39.307 35.982 -26.018 1.00 27.36 C ATOM 119 CD LYS A 18 40.696 36.274 -26.507 1.00 27.88 C ATOM 120 CE LYS A 18 41.209 37.625 -26.058 1.00 28.48 C ATOM 121 NZ LYS A 18 42.370 38.018 -26.921 1.00 29.11 N ATOM 122 N LEU A 19 36.922 32.233 -27.049 1.00 27.46 N ATOM 123 CA LEU A 19 36.504 31.112 -27.872 1.00 27.54 C ATOM 124 C LEU A 19 35.227 30.401 -27.500 1.00 27.20 C ATOM 125 O LEU A 19 34.515 29.966 -28.433 1.00 27.33 O ATOM 126 CB LEU A 19 37.732 30.196 -28.015 1.00 28.35 C ATOM 127 CG LEU A 19 38.858 30.761 -28.893 1.00 28.91 C ATOM 128 CD1 LEU A 19 39.636 29.615 -29.535 1.00 29.10 C ATOM 129 CD2 LEU A 19 38.265 31.631 -30.001 1.00 28.88 C ATOM 130 N TYR A 20 34.905 30.254 -26.244 1.00 26.88 N ATOM 131 CA TYR A 20 33.723 29.615 -25.661 1.00 26.08 C ATOM 132 C TYR A 20 33.085 30.604 -24.667 1.00 25.96 C ATOM 133 O TYR A 20 33.404 30.620 -23.448 1.00 26.22 O ATOM 134 CB TYR A 20 34.083 28.334 -24.889 1.00 26.11 C ATOM 135 CG TYR A 20 34.940 27.365 -25.675 1.00 26.17 C ATOM 136 CD1 TYR A 20 34.351 26.393 -26.478 1.00 26.20 C ATOM 137 CD2 TYR A 20 36.334 27.446 -25.631 1.00 25.75 C ATOM 138 CE1 TYR A 20 35.129 25.523 -27.247 1.00 26.30 C ATOM 139 CE2 TYR A 20 37.124 26.571 -26.372 1.00 26.13 C ATOM 140 CZ TYR A 20 36.513 25.613 -27.169 1.00 26.32 C ATOM 141 OH TYR A 20 37.245 24.720 -27.904 1.00 26.65 O ATOM 142 N PRO A 21 32.193 31.409 -25.213 1.00 25.22 N ATOM 143 CA PRO A 21 31.505 32.436 -24.438 1.00 24.58 C ATOM 144 C PRO A 21 30.766 31.859 -23.239 1.00 23.71 C ATOM 145 O PRO A 21 30.569 32.600 -22.254 1.00 23.77 O ATOM 146 CB PRO A 21 30.671 33.199 -25.422 1.00 24.89 C ATOM 147 CG PRO A 21 30.997 32.690 -26.785 1.00 25.25 C ATOM 148 CD PRO A 21 31.796 31.420 -26.630 1.00 25.38 C ATOM 149 N ILE A 22 30.441 30.578 -23.286 1.00 23.02 N ATOM 150 CA ILE A 22 29.752 29.918 -22.151 1.00 22.46 C ATOM 151 C ILE A 22 30.694 29.890 -20.942 1.00 21.72 C ATOM 152 O ILE A 22 30.231 29.781 -19.787 1.00 21.47 O ATOM 153 CB ILE A 22 29.099 28.567 -22.540 1.00 22.39 C ATOM 154 CG1 ILE A 22 28.042 28.162 -21.472 1.00 22.58 C ATOM 155 CG2 ILE A 22 30.099 27.398 -22.742 1.00 22.63 C ATOM 156 CD1 ILE A 22 27.021 29.294 -21.143 1.00 22.94 C ATOM 157 N ALA A 23 31.983 30.079 -21.203 1.00 20.68 N ATOM 158 CA ALA A 23 32.954 30.112 -20.094 1.00 20.26 C ATOM 159 C ALA A 23 32.520 31.124 -19.044 1.00 19.93 C ATOM 160 O ALA A 23 32.880 30.982 -17.861 1.00 19.20 O ATOM 161 CB ALA A 23 34.362 30.361 -20.610 1.00 20.28 C ATOM 162 N ASN A 24 31.767 32.145 -19.434 1.00 20.46 N ATOM 163 CA ASN A 24 31.298 33.178 -18.474 1.00 20.08 C ATOM 164 C ASN A 24 29.803 32.955 -18.210 1.00 19.42 C ATOM 165 O ASN A 24 29.059 33.942 -18.000 1.00 20.09 O ATOM 166 CB ASN A 24 31.568 34.601 -18.890 1.00 21.08 C ATOM 167 CG ASN A 24 32.951 35.088 -19.205 1.00 21.81 C ATOM 168 OD1 ASN A 24 33.228 35.413 -20.391 1.00 21.95 O ATOM 169 ND2 ASN A 24 33.853 35.180 -18.228 1.00 21.82 N ATOM 170 N GLY A 25 29.367 31.723 -18.230 1.00 18.50 N ATOM 171 CA GLY A 25 27.929 31.418 -18.013 1.00 17.82 C ATOM 172 C GLY A 25 27.575 31.582 -16.537 1.00 16.99 C ATOM 173 O GLY A 25 28.355 32.064 -15.703 1.00 16.47 O ATOM 174 N ASN A 26 26.361 31.150 -16.241 1.00 16.63 N ATOM 175 CA ASN A 26 25.791 31.182 -14.894 1.00 15.95 C ATOM 176 C ASN A 26 25.901 29.892 -14.088 1.00 14.65 C ATOM 177 O ASN A 26 25.461 29.958 -12.918 1.00 14.15 O ATOM 178 CB ASN A 26 24.291 31.534 -15.002 1.00 17.31 C ATOM 179 CG ASN A 26 24.032 32.884 -15.603 1.00 18.41 C ATOM 180 OD1 ASN A 26 24.862 33.807 -15.607 1.00 19.00 O ATOM 181 ND2 ASN A 26 22.820 33.017 -16.146 1.00 19.62 N ATOM 182 N ASN A 27 26.345 28.795 -14.678 1.00 13.58 N ATOM 183 CA ASN A 27 26.448 27.519 -13.982 1.00 12.82 C ATOM 184 C ASN A 27 27.830 26.874 -14.313 1.00 11.66 C ATOM 185 O ASN A 27 27.814 25.674 -14.629 1.00 9.70 O ATOM 186 CB ASN A 27 25.396 26.463 -14.314 1.00 14.40 C ATOM 187 CG ASN A 27 23.986 27.002 -14.459 1.00 16.24 C ATOM 188 OD1 ASN A 27 23.504 27.172 -15.609 1.00 17.89 O ATOM 189 ND2 ASN A 27 23.321 27.274 -13.363 1.00 16.04 N ATOM 190 N GLN A 28 28.833 27.712 -14.198 1.00 9.98 N ATOM 191 CA GLN A 28 30.213 27.260 -14.483 1.00 9.56 C ATOM 192 C GLN A 28 30.835 26.590 -13.271 1.00 8.91 C ATOM 193 O GLN A 28 30.560 27.030 -12.144 1.00 8.52 O ATOM 194 CB GLN A 28 30.995 28.516 -14.931 1.00 9.53 C ATOM 195 CG GLN A 28 30.577 28.941 -16.353 1.00 9.77 C ATOM 196 CD GLN A 28 30.857 27.807 -17.326 1.00 9.89 C ATOM 197 OE1 GLN A 28 32.025 27.531 -17.626 1.00 10.92 O ATOM 198 NE2 GLN A 28 29.867 27.200 -17.895 1.00 9.04 N ATOM 199 N SER A 29 31.647 25.572 -13.502 1.00 8.72 N ATOM 200 CA SER A 29 32.370 24.807 -12.484 1.00 8.62 C ATOM 201 C SER A 29 33.890 24.910 -12.697 1.00 8.85 C ATOM 202 O SER A 29 34.370 25.189 -13.812 1.00 9.56 O ATOM 203 CB SER A 29 31.953 23.328 -12.484 1.00 8.19 C ATOM 204 OG SER A 29 30.621 23.214 -12.040 1.00 8.91 O ATOM 205 N PRO A 30 34.689 24.692 -11.666 1.00 8.50 N ATOM 206 CA PRO A 30 34.312 24.342 -10.279 1.00 7.70 C ATOM 207 C PRO A 30 33.913 25.525 -9.438 1.00 7.56 C ATOM 208 O PRO A 30 33.921 26.684 -9.889 1.00 7.38 O ATOM 209 CB PRO A 30 35.637 23.695 -9.813 1.00 7.84 C ATOM 210 CG PRO A 30 36.656 24.676 -10.416 1.00 8.31 C ATOM 211 CD PRO A 30 36.156 24.807 -11.841 1.00 8.11 C ATOM 212 N VAL A 31 33.514 25.356 -8.187 1.00 7.43 N ATOM 213 CA VAL A 31 33.106 26.456 -7.319 1.00 7.69 C ATOM 214 C VAL A 31 33.717 26.149 -5.935 1.00 8.58 C ATOM 215 O VAL A 31 34.108 25.009 -5.714 1.00 8.09 O ATOM 216 CB VAL A 31 31.540 26.585 -7.191 1.00 7.68 C ATOM 217 CG1 VAL A 31 30.828 26.597 -8.550 1.00 6.21 C ATOM 218 CG2 VAL A 31 31.006 25.454 -6.320 1.00 7.25 C ATOM 219 N ASP A 32 33.728 27.175 -5.116 1.00 8.54 N ATOM 220 CA ASP A 32 34.164 27.121 -3.738 1.00 9.68 C ATOM 221 C ASP A 32 32.905 26.762 -2.915 1.00 10.65 C ATOM 222 O ASP A 32 31.884 27.487 -3.040 1.00 12.03 O ATOM 223 CB ASP A 32 34.751 28.457 -3.278 1.00 10.20 C ATOM 224 CG ASP A 32 35.160 28.406 -1.790 1.00 10.70 C ATOM 225 OD1 ASP A 32 35.816 27.465 -1.364 1.00 10.32 O ATOM 226 OD2 ASP A 32 34.844 29.320 -1.050 1.00 11.60 O ATOM 227 N ILE A 33 32.959 25.724 -2.163 1.00 11.63 N ATOM 228 CA ILE A 33 31.878 25.220 -1.293 1.00 12.54 C ATOM 229 C ILE A 33 32.014 25.819 0.116 1.00 13.61 C ATOM 230 O ILE A 33 32.936 25.457 0.862 1.00 13.38 O ATOM 231 CB ILE A 33 31.951 23.658 -1.279 1.00 12.11 C ATOM 232 CG1 ILE A 33 31.596 23.107 -2.698 1.00 11.66 C ATOM 233 CG2 ILE A 33 31.096 23.024 -0.148 1.00 11.64 C ATOM 234 CD1 ILE A 33 31.597 21.567 -2.707 1.00 11.97 C ATOM 235 N LYS A 34 31.139 26.776 0.420 1.00 14.79 N ATOM 236 CA LYS A 34 31.189 27.415 1.756 1.00 16.59 C ATOM 237 C LYS A 34 30.267 26.615 2.662 1.00 17.05 C ATOM 238 O LYS A 34 29.048 26.706 2.509 1.00 17.28 O ATOM 239 CB LYS A 34 30.834 28.870 1.718 1.00 17.44 C ATOM 240 CG LYS A 34 31.712 29.677 0.773 1.00 18.83 C ATOM 241 CD LYS A 34 31.476 31.181 0.957 1.00 20.32 C ATOM 242 CE LYS A 34 32.535 31.969 0.202 1.00 21.67 C ATOM 243 NZ LYS A 34 32.490 31.629 -1.264 1.00 22.44 N ATOM 244 N THR A 35 30.848 25.834 3.540 1.00 18.29 N ATOM 245 CA THR A 35 30.128 24.969 4.449 1.00 20.22 C ATOM 246 C THR A 35 29.150 25.703 5.356 1.00 21.29 C ATOM 247 O THR A 35 28.224 25.039 5.863 1.00 21.85 O ATOM 248 CB THR A 35 31.026 23.966 5.255 1.00 20.27 C ATOM 249 OG1 THR A 35 31.885 24.816 6.108 1.00 21.02 O ATOM 250 CG2 THR A 35 31.820 23.035 4.352 1.00 20.33 C ATOM 251 N SER A 36 29.280 26.982 5.525 1.00 22.24 N ATOM 252 CA SER A 36 28.350 27.749 6.366 1.00 23.45 C ATOM 253 C SER A 36 27.141 28.211 5.552 1.00 23.99 C ATOM 254 O SER A 36 26.216 28.841 6.127 1.00 24.13 O ATOM 255 CB SER A 36 29.075 28.999 6.897 1.00 23.67 C ATOM 256 OG SER A 36 29.258 29.883 5.786 1.00 24.07 O ATOM 257 N GLU A 37 27.157 27.936 4.256 1.00 24.18 N ATOM 258 CA GLU A 37 26.078 28.342 3.359 1.00 24.60 C ATOM 259 C GLU A 37 25.404 27.208 2.628 1.00 24.08 C ATOM 260 O GLU A 37 24.490 27.444 1.810 1.00 23.83 O ATOM 261 CB GLU A 37 26.571 29.358 2.306 1.00 25.97 C ATOM 262 CG GLU A 37 26.635 30.811 2.766 1.00 27.78 C ATOM 263 CD GLU A 37 27.157 31.815 1.792 1.00 29.37 C ATOM 264 OE1 GLU A 37 26.604 32.194 0.756 1.00 30.13 O ATOM 265 OE2 GLU A 37 28.294 32.272 2.137 1.00 30.33 O ATOM 266 N THR A 38 25.840 25.985 2.875 1.00 23.42 N ATOM 267 CA THR A 38 25.233 24.824 2.194 1.00 23.26 C ATOM 268 C THR A 38 23.835 24.613 2.746 1.00 23.07 C ATOM 269 O THR A 38 23.523 25.084 3.861 1.00 22.62 O ATOM 270 CB THR A 38 26.137 23.538 2.360 1.00 23.33 C ATOM 271 OG1 THR A 38 26.227 23.311 3.793 1.00 23.61 O ATOM 272 CG2 THR A 38 27.506 23.679 1.722 1.00 22.74 C ATOM 273 N LYS A 39 23.002 23.891 1.996 1.00 22.40 N ATOM 274 CA LYS A 39 21.654 23.619 2.510 1.00 21.76 C ATOM 275 C LYS A 39 21.354 22.145 2.688 1.00 20.58 C ATOM 276 O LYS A 39 21.411 21.391 1.698 1.00 20.57 O ATOM 277 CB LYS A 39 20.585 24.230 1.580 1.00 22.62 C ATOM 278 CG LYS A 39 19.219 24.005 2.239 1.00 24.17 C ATOM 279 CD LYS A 39 18.076 23.841 1.281 1.00 25.13 C ATOM 280 CE LYS A 39 18.505 23.669 -0.156 1.00 25.82 C ATOM 281 NZ LYS A 39 17.495 24.383 -1.015 1.00 26.19 N ATOM 282 N HIS A 40 20.999 21.714 3.883 1.00 18.94 N ATOM 283 CA HIS A 40 20.637 20.318 4.180 1.00 18.14 C ATOM 284 C HIS A 40 19.328 19.976 3.478 1.00 18.09 C ATOM 285 O HIS A 40 18.335 20.685 3.666 1.00 18.76 O ATOM 286 CB HIS A 40 20.508 20.076 5.701 1.00 17.56 C ATOM 287 CG HIS A 40 20.034 18.728 6.087 1.00 16.73 C ATOM 288 ND1 HIS A 40 20.500 17.556 5.540 1.00 16.59 N ATOM 289 CD2 HIS A 40 19.127 18.347 7.015 1.00 17.10 C ATOM 290 CE1 HIS A 40 19.910 16.504 6.060 1.00 15.63 C ATOM 291 NE2 HIS A 40 19.093 16.943 6.978 1.00 17.25 N ATOM 292 N ASP A 41 19.292 18.970 2.616 1.00 17.91 N ATOM 293 CA ASP A 41 18.055 18.594 1.867 1.00 17.37 C ATOM 294 C ASP A 41 17.731 17.150 2.251 1.00 17.08 C ATOM 295 O ASP A 41 18.462 16.217 1.862 1.00 17.49 O ATOM 296 CB ASP A 41 18.145 18.914 0.401 1.00 17.83 C ATOM 297 CG ASP A 41 17.118 18.270 -0.504 1.00 18.44 C ATOM 298 OD1 ASP A 41 16.538 17.186 -0.230 1.00 18.71 O ATOM 299 OD2 ASP A 41 16.864 18.902 -1.559 1.00 18.16 O ATOM 300 N THR A 42 16.658 17.032 3.046 1.00 15.72 N ATOM 301 CA THR A 42 16.242 15.733 3.574 1.00 15.41 C ATOM 302 C THR A 42 15.766 14.770 2.508 1.00 15.84 C ATOM 303 O THR A 42 15.544 13.599 2.870 1.00 16.05 O ATOM 304 CB THR A 42 15.174 15.871 4.744 1.00 14.78 C ATOM 305 OG1 THR A 42 14.011 16.460 4.083 1.00 13.52 O ATOM 306 CG2 THR A 42 15.616 16.735 5.912 1.00 14.79 C ATOM 307 N SER A 43 15.592 15.217 1.272 1.00 16.34 N ATOM 308 CA SER A 43 15.175 14.270 0.238 1.00 18.34 C ATOM 309 C SER A 43 16.358 13.529 -0.385 1.00 18.81 C ATOM 310 O SER A 43 16.071 12.624 -1.186 1.00 20.31 O ATOM 311 CB SER A 43 14.383 14.911 -0.900 1.00 18.76 C ATOM 312 OG SER A 43 15.221 15.370 -1.922 1.00 19.16 O ATOM 313 N LEU A 44 17.579 13.868 -0.073 1.00 19.32 N ATOM 314 CA LEU A 44 18.746 13.209 -0.686 1.00 19.65 C ATOM 315 C LEU A 44 18.991 11.812 -0.177 1.00 20.53 C ATOM 316 O LEU A 44 19.217 11.594 1.031 1.00 22.22 O ATOM 317 CB LEU A 44 19.949 14.127 -0.521 1.00 18.92 C ATOM 318 CG LEU A 44 19.990 15.415 -1.310 1.00 18.44 C ATOM 319 CD1 LEU A 44 21.109 16.301 -0.743 1.00 18.51 C ATOM 320 CD2 LEU A 44 20.271 15.090 -2.768 1.00 17.61 C ATOM 321 N LYS A 45 18.968 10.857 -1.077 1.00 20.93 N ATOM 322 CA LYS A 45 19.226 9.444 -0.747 1.00 21.57 C ATOM 323 C LYS A 45 20.751 9.227 -0.790 1.00 21.62 C ATOM 324 O LYS A 45 21.482 10.107 -1.268 1.00 21.15 O ATOM 325 CB LYS A 45 18.586 8.572 -1.811 1.00 21.99 C ATOM 326 CG LYS A 45 17.169 9.026 -2.157 1.00 22.94 C ATOM 327 CD LYS A 45 16.589 8.106 -3.209 1.00 23.85 C ATOM 328 CE LYS A 45 15.088 8.137 -3.268 1.00 24.79 C ATOM 329 NZ LYS A 45 14.569 6.855 -3.906 1.00 25.70 N ATOM 330 N PRO A 46 21.156 8.077 -0.275 1.00 21.51 N ATOM 331 CA PRO A 46 22.558 7.676 -0.307 1.00 21.74 C ATOM 332 C PRO A 46 22.868 7.335 -1.784 1.00 21.33 C ATOM 333 O PRO A 46 21.991 6.793 -2.475 1.00 19.70 O ATOM 334 CB PRO A 46 22.640 6.411 0.555 1.00 22.18 C ATOM 335 CG PRO A 46 21.251 6.180 1.095 1.00 21.95 C ATOM 336 CD PRO A 46 20.304 7.005 0.260 1.00 21.76 C ATOM 337 N ILE A 47 24.100 7.684 -2.219 1.00 21.27 N ATOM 338 CA ILE A 47 24.363 7.309 -3.627 1.00 21.49 C ATOM 339 C ILE A 47 24.611 5.783 -3.646 1.00 20.99 C ATOM 340 O ILE A 47 25.079 5.171 -2.665 1.00 20.80 O ATOM 341 CB ILE A 47 25.431 8.197 -4.303 1.00 22.39 C ATOM 342 CG1 ILE A 47 26.828 7.855 -3.706 1.00 23.29 C ATOM 343 CG2 ILE A 47 25.223 9.729 -4.295 1.00 22.06 C ATOM 344 CD1 ILE A 47 27.466 6.662 -4.509 1.00 23.78 C ATOM 345 N SER A 48 24.239 5.127 -4.739 1.00 19.81 N ATOM 346 CA SER A 48 24.501 3.691 -4.895 1.00 19.15 C ATOM 347 C SER A 48 25.283 3.501 -6.199 1.00 17.75 C ATOM 348 O SER A 48 24.735 3.891 -7.234 1.00 16.81 O ATOM 349 CB SER A 48 23.232 2.842 -4.949 1.00 20.01 C ATOM 350 OG SER A 48 23.607 1.615 -5.579 1.00 20.75 O ATOM 351 N VAL A 49 26.499 3.006 -6.097 1.00 16.74 N ATOM 352 CA VAL A 49 27.319 2.800 -7.322 1.00 16.71 C ATOM 353 C VAL A 49 27.452 1.285 -7.432 1.00 16.40 C ATOM 354 O VAL A 49 27.603 0.648 -6.392 1.00 16.94 O ATOM 355 CB VAL A 49 28.617 3.583 -7.344 1.00 17.02 C ATOM 356 CG1 VAL A 49 28.515 4.922 -6.634 1.00 17.35 C ATOM 357 CG2 VAL A 49 29.808 2.816 -6.770 1.00 17.42 C ATOM 358 N SER A 50 27.299 0.784 -8.632 1.00 15.60 N ATOM 359 CA SER A 50 27.375 -0.645 -8.923 1.00 15.02 C ATOM 360 C SER A 50 28.142 -0.811 -10.234 1.00 13.86 C ATOM 361 O SER A 50 27.579 -0.687 -11.318 1.00 14.29 O ATOM 362 CB SER A 50 25.958 -1.254 -9.046 1.00 15.46 C ATOM 363 OG SER A 50 26.201 -2.661 -9.201 1.00 16.58 O ATOM 364 N TYR A 51 29.436 -1.006 -10.138 1.00 13.07 N ATOM 365 CA TYR A 51 30.273 -1.069 -11.346 1.00 12.24 C ATOM 366 C TYR A 51 30.763 -2.495 -11.570 1.00 13.16 C ATOM 367 O TYR A 51 30.989 -3.241 -10.617 1.00 13.73 O ATOM 368 CB TYR A 51 31.391 -0.055 -11.253 1.00 10.78 C ATOM 369 CG TYR A 51 31.128 1.386 -10.937 1.00 9.28 C ATOM 370 CD1 TYR A 51 30.083 2.125 -11.470 1.00 8.62 C ATOM 371 CD2 TYR A 51 32.029 2.055 -10.075 1.00 8.40 C ATOM 372 CE1 TYR A 51 29.928 3.497 -11.204 1.00 7.41 C ATOM 373 CE2 TYR A 51 31.869 3.410 -9.795 1.00 7.76 C ATOM 374 CZ TYR A 51 30.815 4.130 -10.355 1.00 6.80 C ATOM 375 OH TYR A 51 30.697 5.469 -10.125 1.00 5.62 O ATOM 376 N ASN A 52 30.865 -2.804 -12.845 1.00 13.77 N ATOM 377 CA ASN A 52 31.294 -4.151 -13.301 1.00 13.94 C ATOM 378 C ASN A 52 32.716 -3.995 -13.848 1.00 12.83 C ATOM 379 O ASN A 52 32.878 -3.296 -14.841 1.00 11.49 O ATOM 380 CB ASN A 52 30.290 -4.588 -14.395 1.00 14.91 C ATOM 381 CG ASN A 52 30.552 -6.039 -14.761 1.00 15.60 C ATOM 382 OD1 ASN A 52 31.696 -6.518 -14.784 1.00 16.41 O ATOM 383 ND2 ASN A 52 29.526 -6.804 -15.039 1.00 16.89 N ATOM 384 N PRO A 53 33.671 -4.613 -13.185 1.00 13.06 N ATOM 385 CA PRO A 53 35.077 -4.488 -13.582 1.00 13.51 C ATOM 386 C PRO A 53 35.330 -4.886 -15.012 1.00 13.35 C ATOM 387 O PRO A 53 36.330 -4.411 -15.561 1.00 13.98 O ATOM 388 CB PRO A 53 35.858 -5.237 -12.516 1.00 13.01 C ATOM 389 CG PRO A 53 34.855 -6.251 -12.006 1.00 13.59 C ATOM 390 CD PRO A 53 33.546 -5.454 -11.974 1.00 13.46 C ATOM 391 N ALA A 54 34.486 -5.694 -15.631 1.00 13.43 N ATOM 392 CA ALA A 54 34.654 -6.137 -17.022 1.00 12.43 C ATOM 393 C ALA A 54 34.296 -5.074 -18.020 1.00 12.41 C ATOM 394 O ALA A 54 34.427 -5.225 -19.233 1.00 12.44 O ATOM 395 CB ALA A 54 33.767 -7.365 -17.267 1.00 14.24 C ATOM 396 N THR A 55 33.784 -3.935 -17.535 1.00 12.14 N ATOM 397 CA THR A 55 33.454 -2.827 -18.434 1.00 10.69 C ATOM 398 C THR A 55 34.686 -1.932 -18.606 1.00 9.65 C ATOM 399 O THR A 55 34.598 -1.107 -19.513 1.00 9.08 O ATOM 400 CB THR A 55 32.196 -2.022 -17.982 1.00 10.74 C ATOM 401 OG1 THR A 55 32.539 -1.556 -16.651 1.00 10.78 O ATOM 402 CG2 THR A 55 30.913 -2.886 -18.066 1.00 11.00 C ATOM 403 N ALA A 56 35.748 -2.143 -17.852 1.00 8.85 N ATOM 404 CA ALA A 56 36.972 -1.335 -18.036 1.00 9.51 C ATOM 405 C ALA A 56 37.502 -1.628 -19.454 1.00 9.65 C ATOM 406 O ALA A 56 37.580 -2.816 -19.803 1.00 9.43 O ATOM 407 CB ALA A 56 38.031 -1.553 -17.001 1.00 9.44 C ATOM 408 N LYS A 57 37.865 -0.614 -20.162 1.00 10.12 N ATOM 409 CA LYS A 57 38.302 -0.796 -21.559 1.00 12.53 C ATOM 410 C LYS A 57 39.651 -0.277 -21.989 1.00 12.17 C ATOM 411 O LYS A 57 40.444 -1.113 -22.468 1.00 11.72 O ATOM 412 CB LYS A 57 37.205 -0.217 -22.469 1.00 13.55 C ATOM 413 CG LYS A 57 37.548 -0.249 -23.942 1.00 15.84 C ATOM 414 CD LYS A 57 36.340 0.190 -24.772 1.00 17.37 C ATOM 415 CE LYS A 57 36.214 1.705 -24.791 1.00 18.49 C ATOM 416 NZ LYS A 57 34.763 2.056 -25.064 1.00 20.32 N ATOM 417 N GLU A 58 39.954 1.003 -21.878 1.00 12.10 N ATOM 418 CA GLU A 58 41.243 1.536 -22.325 1.00 12.29 C ATOM 419 C GLU A 58 41.689 2.754 -21.563 1.00 11.27 C ATOM 420 O GLU A 58 40.869 3.421 -20.915 1.00 12.07 O ATOM 421 CB GLU A 58 41.173 1.994 -23.818 1.00 14.05 C ATOM 422 CG GLU A 58 40.263 3.148 -24.140 1.00 17.39 C ATOM 423 CD GLU A 58 40.036 3.660 -25.526 1.00 19.63 C ATOM 424 OE1 GLU A 58 40.432 2.976 -26.496 1.00 19.88 O ATOM 425 OE2 GLU A 58 39.427 4.729 -25.753 1.00 21.25 O ATOM 426 N ILE A 59 42.964 3.053 -21.643 1.00 10.00 N ATOM 427 CA ILE A 59 43.587 4.248 -21.043 1.00 9.44 C ATOM 428 C ILE A 59 44.184 5.000 -22.245 1.00 8.89 C ATOM 429 O ILE A 59 44.803 4.371 -23.110 1.00 9.83 O ATOM 430 CB ILE A 59 44.590 3.951 -19.900 1.00 8.67 C ATOM 431 CG1 ILE A 59 45.098 5.262 -19.251 1.00 8.06 C ATOM 432 CG2 ILE A 59 45.823 3.086 -20.303 1.00 7.61 C ATOM 433 CD1 ILE A 59 45.655 5.037 -17.816 1.00 9.17 C ATOM 434 N ILE A 60 44.005 6.285 -22.286 1.00 8.34 N ATOM 435 CA ILE A 60 44.460 7.151 -23.346 1.00 8.64 C ATOM 436 C ILE A 60 44.955 8.520 -22.914 1.00 7.94 C ATOM 437 O ILE A 60 44.397 9.188 -22.044 1.00 7.65 O ATOM 438 CB ILE A 60 43.296 7.255 -24.420 1.00 9.26 C ATOM 439 CG1 ILE A 60 43.842 8.014 -25.636 1.00 10.00 C ATOM 440 CG2 ILE A 60 42.032 7.893 -23.825 1.00 9.70 C ATOM 441 CD1 ILE A 60 42.908 8.147 -26.869 1.00 11.65 C ATOM 442 N ASN A 61 46.039 8.929 -23.555 1.00 7.84 N ATOM 443 CA ASN A 61 46.637 10.272 -23.304 1.00 7.85 C ATOM 444 C ASN A 61 45.963 11.227 -24.304 1.00 8.45 C ATOM 445 O ASN A 61 46.156 11.101 -25.522 1.00 9.05 O ATOM 446 CB ASN A 61 48.142 10.260 -23.427 1.00 7.63 C ATOM 447 CG ASN A 61 48.865 11.587 -23.278 1.00 6.94 C ATOM 448 OD1 ASN A 61 48.402 12.688 -23.595 1.00 6.93 O ATOM 449 ND2 ASN A 61 50.110 11.492 -22.733 1.00 6.76 N ATOM 450 N VAL A 62 45.225 12.175 -23.759 1.00 9.67 N ATOM 451 CA VAL A 62 44.517 13.155 -24.588 1.00 10.67 C ATOM 452 C VAL A 62 45.266 14.479 -24.686 1.00 11.38 C ATOM 453 O VAL A 62 44.629 15.428 -25.181 1.00 12.73 O ATOM 454 CB VAL A 62 43.040 13.300 -24.187 1.00 10.05 C ATOM 455 CG1 VAL A 62 42.394 11.895 -24.193 1.00 10.87 C ATOM 456 CG2 VAL A 62 42.873 13.960 -22.840 1.00 9.76 C ATOM 457 N GLY A 63 46.500 14.563 -24.246 1.00 11.01 N ATOM 458 CA GLY A 63 47.193 15.856 -24.415 1.00 11.74 C ATOM 459 C GLY A 63 47.244 16.718 -23.183 1.00 11.85 C ATOM 460 O GLY A 63 48.354 17.092 -22.821 1.00 12.23 O ATOM 461 N HIS A 64 46.093 17.059 -22.629 1.00 11.24 N ATOM 462 CA HIS A 64 45.974 17.911 -21.445 1.00 10.05 C ATOM 463 C HIS A 64 45.735 17.035 -20.217 1.00 9.27 C ATOM 464 O HIS A 64 45.873 17.519 -19.081 1.00 9.90 O ATOM 465 CB HIS A 64 44.828 18.978 -21.563 1.00 10.88 C ATOM 466 CG HIS A 64 43.486 18.335 -21.829 1.00 10.42 C ATOM 467 ND1 HIS A 64 42.621 17.948 -20.839 1.00 10.34 N ATOM 468 CD2 HIS A 64 42.961 17.895 -23.009 1.00 10.80 C ATOM 469 CE1 HIS A 64 41.605 17.329 -21.409 1.00 10.79 C ATOM 470 NE2 HIS A 64 41.757 17.299 -22.722 1.00 11.11 N ATOM 471 N SER A 65 45.467 15.775 -20.503 1.00 8.29 N ATOM 472 CA SER A 65 45.152 14.777 -19.474 1.00 7.94 C ATOM 473 C SER A 65 45.227 13.362 -20.011 1.00 7.62 C ATOM 474 O SER A 65 45.681 13.076 -21.125 1.00 8.32 O ATOM 475 CB SER A 65 43.712 15.121 -19.026 1.00 7.70 C ATOM 476 OG SER A 65 43.306 14.502 -17.836 1.00 7.63 O ATOM 477 N PHE A 66 44.801 12.417 -19.227 1.00 7.00 N ATOM 478 CA PHE A 66 44.699 10.991 -19.523 1.00 6.00 C ATOM 479 C PHE A 66 43.300 10.594 -18.977 1.00 6.13 C ATOM 480 O PHE A 66 42.903 11.047 -17.885 1.00 5.41 O ATOM 481 CB PHE A 66 45.837 10.103 -19.042 1.00 5.92 C ATOM 482 CG PHE A 66 45.885 9.833 -17.560 1.00 5.92 C ATOM 483 CD1 PHE A 66 45.177 8.781 -17.016 1.00 5.88 C ATOM 484 CD2 PHE A 66 46.648 10.696 -16.750 1.00 6.27 C ATOM 485 CE1 PHE A 66 45.196 8.547 -15.635 1.00 6.93 C ATOM 486 CE2 PHE A 66 46.673 10.497 -15.367 1.00 6.83 C ATOM 487 CZ PHE A 66 45.960 9.396 -14.838 1.00 7.56 C ATOM 488 N HIS A 67 42.625 9.794 -19.796 1.00 6.62 N ATOM 489 CA HIS A 67 41.306 9.277 -19.522 1.00 6.70 C ATOM 490 C HIS A 67 41.359 7.742 -19.543 1.00 7.64 C ATOM 491 O HIS A 67 42.004 7.123 -20.390 1.00 7.17 O ATOM 492 CB HIS A 67 40.207 9.594 -20.567 1.00 5.94 C ATOM 493 CG HIS A 67 40.011 11.044 -20.751 1.00 6.53 C ATOM 494 ND1 HIS A 67 39.383 11.645 -21.803 1.00 6.78 N ATOM 495 CD2 HIS A 67 40.392 12.053 -19.884 1.00 6.10 C ATOM 496 CE1 HIS A 67 39.397 12.971 -21.610 1.00 6.86 C ATOM 497 NE2 HIS A 67 40.018 13.212 -20.453 1.00 6.71 N ATOM 498 N VAL A 68 40.559 7.235 -18.633 1.00 8.73 N ATOM 499 CA VAL A 68 40.295 5.805 -18.472 1.00 8.75 C ATOM 500 C VAL A 68 38.804 5.606 -18.876 1.00 9.49 C ATOM 501 O VAL A 68 37.938 5.968 -18.061 1.00 7.87 O ATOM 502 CB VAL A 68 40.548 5.327 -17.034 1.00 8.84 C ATOM 503 CG1 VAL A 68 40.251 3.825 -16.947 1.00 9.18 C ATOM 504 CG2 VAL A 68 41.991 5.578 -16.593 1.00 9.35 C ATOM 505 N ASN A 69 38.635 4.971 -20.035 1.00 9.80 N ATOM 506 CA ASN A 69 37.340 4.718 -20.616 1.00 10.72 C ATOM 507 C ASN A 69 36.780 3.313 -20.363 1.00 10.60 C ATOM 508 O ASN A 69 37.475 2.327 -20.265 1.00 9.93 O ATOM 509 CB ASN A 69 37.378 5.056 -22.123 1.00 10.92 C ATOM 510 CG ASN A 69 37.710 6.485 -22.428 1.00 11.58 C ATOM 511 OD1 ASN A 69 37.273 7.446 -21.782 1.00 12.29 O ATOM 512 ND2 ASN A 69 38.432 6.768 -23.523 1.00 11.39 N ATOM 513 N PHE A 70 35.459 3.277 -20.297 1.00 11.02 N ATOM 514 CA PHE A 70 34.632 2.102 -20.045 1.00 12.69 C ATOM 515 C PHE A 70 33.603 1.966 -21.192 1.00 13.34 C ATOM 516 O PHE A 70 33.150 2.965 -21.705 1.00 13.85 O ATOM 517 CB PHE A 70 33.855 2.155 -18.703 1.00 12.19 C ATOM 518 CG PHE A 70 34.746 2.176 -17.493 1.00 12.55 C ATOM 519 CD1 PHE A 70 35.527 3.316 -17.250 1.00 12.96 C ATOM 520 CD2 PHE A 70 34.853 1.087 -16.646 1.00 12.29 C ATOM 521 CE1 PHE A 70 36.434 3.324 -16.179 1.00 13.12 C ATOM 522 CE2 PHE A 70 35.735 1.079 -15.572 1.00 12.59 C ATOM 523 CZ PHE A 70 36.515 2.214 -15.333 1.00 12.65 C ATOM 524 N GLU A 71 33.294 0.744 -21.527 1.00 14.87 N ATOM 525 CA GLU A 71 32.277 0.410 -22.522 1.00 17.05 C ATOM 526 C GLU A 71 30.942 0.860 -21.877 1.00 17.01 C ATOM 527 O GLU A 71 30.715 0.529 -20.684 1.00 16.45 O ATOM 528 CB GLU A 71 32.202 -1.104 -22.674 1.00 18.67 C ATOM 529 CG GLU A 71 33.046 -1.754 -23.748 1.00 21.20 C ATOM 530 CD GLU A 71 33.260 -3.235 -23.582 1.00 22.86 C ATOM 531 OE1 GLU A 71 32.597 -3.963 -22.840 1.00 23.70 O ATOM 532 OE2 GLU A 71 34.265 -3.578 -24.255 1.00 23.88 O ATOM 533 N ASP A 72 30.170 1.614 -22.584 1.00 17.78 N ATOM 534 CA ASP A 72 28.889 2.171 -22.062 1.00 19.17 C ATOM 535 C ASP A 72 27.743 1.809 -23.012 1.00 20.19 C ATOM 536 O ASP A 72 26.929 2.673 -23.404 1.00 19.74 O ATOM 537 CB ASP A 72 29.030 3.691 -21.896 1.00 19.21 C ATOM 538 CG ASP A 72 29.303 4.384 -23.228 1.00 19.61 C ATOM 539 OD1 ASP A 72 29.766 3.639 -24.116 1.00 19.06 O ATOM 540 OD2 ASP A 72 29.094 5.609 -23.387 1.00 19.95 O ATOM 541 N ASN A 73 27.714 0.524 -23.300 1.00 21.65 N ATOM 542 CA ASN A 73 26.769 -0.095 -24.207 1.00 23.51 C ATOM 543 C ASN A 73 25.456 -0.534 -23.569 1.00 23.58 C ATOM 544 O ASN A 73 24.398 -0.477 -24.210 1.00 23.05 O ATOM 545 CB ASN A 73 27.473 -1.297 -24.930 1.00 25.28 C ATOM 546 CG ASN A 73 27.010 -1.111 -26.377 1.00 27.34 C ATOM 547 OD1 ASN A 73 27.522 -0.157 -27.012 1.00 28.66 O ATOM 548 ND2 ASN A 73 26.008 -1.900 -26.771 1.00 28.35 N ATOM 549 N GLN A 74 25.578 -0.987 -22.357 1.00 24.11 N ATOM 550 CA GLN A 74 24.540 -1.485 -21.477 1.00 24.85 C ATOM 551 C GLN A 74 24.726 -0.771 -20.113 1.00 23.47 C ATOM 552 O GLN A 74 25.597 0.068 -19.898 1.00 22.37 O ATOM 553 CB GLN A 74 24.454 -2.977 -21.242 1.00 26.99 C ATOM 554 CG GLN A 74 24.910 -3.974 -22.255 1.00 29.52 C ATOM 555 CD GLN A 74 23.895 -5.031 -22.682 1.00 31.38 C ATOM 556 OE1 GLN A 74 23.777 -6.143 -22.119 1.00 32.28 O ATOM 557 NE2 GLN A 74 23.101 -4.753 -23.739 1.00 31.71 N ATOM 558 N ASP A 75 23.856 -1.194 -19.226 1.00 22.69 N ATOM 559 CA ASP A 75 23.817 -0.687 -17.855 1.00 21.84 C ATOM 560 C ASP A 75 24.498 -1.588 -16.854 1.00 20.61 C ATOM 561 O ASP A 75 24.010 -1.614 -15.704 1.00 20.25 O ATOM 562 CB ASP A 75 22.363 -0.340 -17.487 1.00 23.27 C ATOM 563 CG ASP A 75 21.935 1.044 -17.939 1.00 24.16 C ATOM 564 OD1 ASP A 75 22.540 1.687 -18.802 1.00 24.71 O ATOM 565 OD2 ASP A 75 20.935 1.516 -17.340 1.00 25.38 O ATOM 566 N ARG A 76 25.585 -2.258 -17.184 1.00 19.56 N ATOM 567 CA ARG A 76 26.350 -3.116 -16.266 1.00 18.71 C ATOM 568 C ARG A 76 27.034 -2.305 -15.146 1.00 16.91 C ATOM 569 O ARG A 76 27.248 -2.866 -14.058 1.00 16.69 O ATOM 570 CB ARG A 76 27.403 -3.979 -16.910 1.00 20.52 C ATOM 571 CG ARG A 76 27.041 -5.126 -17.847 1.00 23.01 C ATOM 572 CD ARG A 76 28.268 -5.479 -18.615 1.00 25.32 C ATOM 573 NE ARG A 76 28.236 -6.194 -19.826 1.00 27.96 N ATOM 574 CZ ARG A 76 28.964 -7.309 -20.115 1.00 29.53 C ATOM 575 NH1 ARG A 76 29.853 -7.867 -19.285 1.00 29.78 N ATOM 576 NH2 ARG A 76 28.738 -7.974 -21.276 1.00 29.73 N ATOM 577 N SER A 77 27.400 -1.060 -15.431 1.00 14.86 N ATOM 578 CA SER A 77 28.033 -0.163 -14.448 1.00 13.34 C ATOM 579 C SER A 77 27.236 1.157 -14.379 1.00 12.07 C ATOM 580 O SER A 77 27.215 1.955 -15.316 1.00 11.17 O ATOM 581 CB SER A 77 29.508 0.123 -14.731 1.00 13.15 C ATOM 582 OG SER A 77 30.255 -1.047 -14.950 1.00 12.37 O ATOM 583 N VAL A 78 26.569 1.327 -13.253 1.00 12.25 N ATOM 584 CA VAL A 78 25.750 2.501 -13.006 1.00 12.30 C ATOM 585 C VAL A 78 25.820 3.090 -11.616 1.00 12.12 C ATOM 586 O VAL A 78 26.192 2.497 -10.601 1.00 12.63 O ATOM 587 CB VAL A 78 24.268 2.094 -13.264 1.00 12.99 C ATOM 588 CG1 VAL A 78 24.024 1.768 -14.719 1.00 13.26 C ATOM 589 CG2 VAL A 78 23.885 0.962 -12.312 1.00 13.12 C ATOM 590 N LEU A 79 25.316 4.317 -11.613 1.00 11.71 N ATOM 591 CA LEU A 79 25.179 5.126 -10.403 1.00 11.80 C ATOM 592 C LEU A 79 23.689 5.437 -10.226 1.00 12.38 C ATOM 593 O LEU A 79 23.014 5.894 -11.165 1.00 11.87 O ATOM 594 CB LEU A 79 26.046 6.384 -10.591 1.00 11.55 C ATOM 595 CG LEU A 79 25.698 7.534 -9.670 1.00 12.48 C ATOM 596 CD1 LEU A 79 26.068 7.194 -8.229 1.00 11.77 C ATOM 597 CD2 LEU A 79 26.404 8.798 -10.120 1.00 12.68 C ATOM 598 N LYS A 80 23.209 5.226 -9.007 1.00 13.96 N ATOM 599 CA LYS A 80 21.785 5.512 -8.690 1.00 15.18 C ATOM 600 C LYS A 80 21.743 6.266 -7.365 1.00 14.47 C ATOM 601 O LYS A 80 22.765 6.274 -6.684 1.00 14.29 O ATOM 602 CB LYS A 80 21.012 4.214 -8.420 1.00 16.52 C ATOM 603 CG LYS A 80 21.195 3.087 -9.400 1.00 18.30 C ATOM 604 CD LYS A 80 20.069 2.037 -9.231 1.00 20.41 C ATOM 605 CE LYS A 80 20.628 0.635 -9.559 1.00 21.64 C ATOM 606 NZ LYS A 80 19.591 -0.408 -9.222 1.00 22.47 N ATOM 607 N GLY A 81 20.592 6.842 -7.035 1.00 14.25 N ATOM 608 CA GLY A 81 20.464 7.509 -5.728 1.00 13.20 C ATOM 609 C GLY A 81 20.897 8.945 -5.683 1.00 13.75 C ATOM 610 O GLY A 81 20.953 9.640 -6.709 1.00 13.84 O ATOM 611 N GLY A 82 21.178 9.395 -4.459 1.00 13.82 N ATOM 612 CA GLY A 82 21.608 10.804 -4.237 1.00 14.86 C ATOM 613 C GLY A 82 20.418 11.655 -4.694 1.00 15.44 C ATOM 614 O GLY A 82 19.294 11.325 -4.228 1.00 16.91 O ATOM 615 N PRO A 83 20.639 12.616 -5.545 1.00 15.34 N ATOM 616 CA PRO A 83 19.556 13.478 -6.052 1.00 15.70 C ATOM 617 C PRO A 83 18.813 12.929 -7.236 1.00 16.07 C ATOM 618 O PRO A 83 17.792 13.534 -7.635 1.00 16.87 O ATOM 619 CB PRO A 83 20.300 14.760 -6.502 1.00 15.43 C ATOM 620 CG PRO A 83 21.650 14.273 -6.940 1.00 14.62 C ATOM 621 CD PRO A 83 21.945 13.031 -6.100 1.00 15.30 C ATOM 622 N PHE A 84 19.266 11.857 -7.855 1.00 16.70 N ATOM 623 CA PHE A 84 18.659 11.322 -9.062 1.00 16.66 C ATOM 624 C PHE A 84 17.456 10.395 -8.931 1.00 17.73 C ATOM 625 O PHE A 84 17.203 9.628 -8.020 1.00 17.31 O ATOM 626 CB PHE A 84 19.725 10.656 -9.962 1.00 16.46 C ATOM 627 CG PHE A 84 21.021 11.421 -10.045 1.00 16.37 C ATOM 628 CD1 PHE A 84 21.153 12.517 -10.889 1.00 16.46 C ATOM 629 CD2 PHE A 84 22.115 11.021 -9.272 1.00 16.16 C ATOM 630 CE1 PHE A 84 22.360 13.246 -10.963 1.00 16.15 C ATOM 631 CE2 PHE A 84 23.315 11.725 -9.337 1.00 15.77 C ATOM 632 CZ PHE A 84 23.437 12.809 -10.176 1.00 15.63 C ATOM 633 N SER A 85 16.754 10.441 -10.052 1.00 18.93 N ATOM 634 CA SER A 85 15.564 9.660 -10.364 1.00 21.03 C ATOM 635 C SER A 85 15.921 8.591 -11.407 1.00 21.20 C ATOM 636 O SER A 85 15.417 7.461 -11.395 1.00 21.38 O ATOM 637 CB SER A 85 14.449 10.614 -10.813 1.00 21.34 C ATOM 638 OG SER A 85 13.213 10.061 -10.505 1.00 22.31 O ATOM 639 N ASP A 86 16.874 8.908 -12.284 1.00 21.63 N ATOM 640 CA ASP A 86 17.281 7.898 -13.287 1.00 21.36 C ATOM 641 C ASP A 86 18.683 7.398 -12.902 1.00 19.93 C ATOM 642 O ASP A 86 19.285 7.936 -11.981 1.00 19.67 O ATOM 643 CB ASP A 86 17.153 8.292 -14.700 1.00 23.42 C ATOM 644 CG ASP A 86 17.340 9.665 -15.255 1.00 25.24 C ATOM 645 OD1 ASP A 86 16.369 10.467 -15.316 1.00 25.43 O ATOM 646 OD2 ASP A 86 18.502 9.949 -15.715 1.00 25.53 O ATOM 647 N SER A 87 19.060 6.385 -13.631 1.00 18.20 N ATOM 648 CA SER A 87 20.389 5.774 -13.472 1.00 17.02 C ATOM 649 C SER A 87 21.263 6.362 -14.589 1.00 15.38 C ATOM 650 O SER A 87 20.828 6.622 -15.719 1.00 14.90 O ATOM 651 CB SER A 87 20.299 4.273 -13.399 1.00 17.25 C ATOM 652 OG SER A 87 20.208 3.718 -14.700 1.00 18.25 O ATOM 653 N TYR A 88 22.489 6.626 -14.192 1.00 14.00 N ATOM 654 CA TYR A 88 23.585 7.185 -15.006 1.00 12.86 C ATOM 655 C TYR A 88 24.617 6.092 -15.268 1.00 12.57 C ATOM 656 O TYR A 88 24.990 5.344 -14.334 1.00 13.24 O ATOM 657 CB TYR A 88 24.117 8.421 -14.275 1.00 12.35 C ATOM 658 CG TYR A 88 23.220 9.632 -14.370 1.00 12.36 C ATOM 659 CD1 TYR A 88 22.030 9.706 -13.620 1.00 12.32 C ATOM 660 CD2 TYR A 88 23.552 10.723 -15.183 1.00 12.00 C ATOM 661 CE1 TYR A 88 21.197 10.815 -13.678 1.00 12.03 C ATOM 662 CE2 TYR A 88 22.737 11.847 -15.239 1.00 12.18 C ATOM 663 CZ TYR A 88 21.550 11.885 -14.478 1.00 12.46 C ATOM 664 OH TYR A 88 20.723 12.996 -14.543 1.00 11.81 O ATOM 665 N ARG A 89 25.004 5.942 -16.515 1.00 11.21 N ATOM 666 CA ARG A 89 25.955 4.924 -16.958 1.00 10.86 C ATOM 667 C ARG A 89 27.410 5.422 -16.872 1.00 9.09 C ATOM 668 O ARG A 89 27.725 6.524 -17.379 1.00 9.43 O ATOM 669 CB ARG A 89 25.611 4.542 -18.408 1.00 11.44 C ATOM 670 CG ARG A 89 26.003 3.212 -18.955 1.00 12.14 C ATOM 671 CD ARG A 89 25.563 3.095 -20.391 1.00 13.09 C ATOM 672 NE ARG A 89 24.170 2.605 -20.439 1.00 13.18 N ATOM 673 CZ ARG A 89 23.589 2.437 -21.628 1.00 13.85 C ATOM 674 NH1 ARG A 89 24.166 2.646 -22.799 1.00 13.73 N ATOM 675 NH2 ARG A 89 22.279 2.123 -21.649 1.00 15.15 N ATOM 676 N LEU A 90 28.280 4.628 -16.302 1.00 7.63 N ATOM 677 CA LEU A 90 29.708 4.911 -16.161 1.00 6.77 C ATOM 678 C LEU A 90 30.359 4.960 -17.542 1.00 6.66 C ATOM 679 O LEU A 90 30.153 4.022 -18.330 1.00 6.70 O ATOM 680 CB LEU A 90 30.421 3.917 -15.243 1.00 6.07 C ATOM 681 CG LEU A 90 31.950 3.987 -15.161 1.00 6.39 C ATOM 682 CD1 LEU A 90 32.336 5.315 -14.463 1.00 6.19 C ATOM 683 CD2 LEU A 90 32.474 2.806 -14.360 1.00 5.79 C ATOM 684 N PHE A 91 31.091 6.054 -17.803 1.00 5.91 N ATOM 685 CA PHE A 91 31.800 6.170 -19.095 1.00 4.84 C ATOM 686 C PHE A 91 33.274 6.491 -18.816 1.00 4.90 C ATOM 687 O PHE A 91 34.136 6.147 -19.671 1.00 4.68 O ATOM 688 CB PHE A 91 31.159 7.056 -20.150 1.00 3.69 C ATOM 689 CG PHE A 91 31.284 8.553 -20.024 1.00 3.66 C ATOM 690 CD1 PHE A 91 30.361 9.308 -19.306 1.00 3.34 C ATOM 691 CD2 PHE A 91 32.345 9.225 -20.631 1.00 3.40 C ATOM 692 CE1 PHE A 91 30.461 10.677 -19.134 1.00 2.68 C ATOM 693 CE2 PHE A 91 32.511 10.587 -20.483 1.00 4.23 C ATOM 694 CZ PHE A 91 31.537 11.332 -19.737 1.00 4.36 C ATOM 695 N GLN A 92 33.660 7.128 -17.724 1.00 5.93 N ATOM 696 CA GLN A 92 35.170 7.392 -17.671 1.00 6.68 C ATOM 697 C GLN A 92 35.532 7.910 -16.303 1.00 7.20 C ATOM 698 O GLN A 92 34.622 8.217 -15.530 1.00 7.65 O ATOM 699 CB GLN A 92 35.372 8.523 -18.726 1.00 6.78 C ATOM 700 CG GLN A 92 36.599 9.374 -18.583 1.00 7.88 C ATOM 701 CD GLN A 92 36.636 10.642 -19.411 1.00 7.92 C ATOM 702 OE1 GLN A 92 36.551 11.768 -18.942 1.00 8.16 O ATOM 703 NE2 GLN A 92 36.791 10.448 -20.717 1.00 8.14 N ATOM 704 N PHE A 93 36.829 8.036 -16.039 1.00 7.34 N ATOM 705 CA PHE A 93 37.397 8.651 -14.833 1.00 7.34 C ATOM 706 C PHE A 93 38.698 9.357 -15.303 1.00 6.85 C ATOM 707 O PHE A 93 39.334 8.896 -16.273 1.00 6.06 O ATOM 708 CB PHE A 93 37.515 7.837 -13.565 1.00 7.40 C ATOM 709 CG PHE A 93 38.544 6.773 -13.449 1.00 7.38 C ATOM 710 CD1 PHE A 93 39.858 7.149 -13.110 1.00 8.17 C ATOM 711 CD2 PHE A 93 38.228 5.432 -13.636 1.00 6.63 C ATOM 712 CE1 PHE A 93 40.854 6.147 -13.042 1.00 8.12 C ATOM 713 CE2 PHE A 93 39.184 4.436 -13.520 1.00 7.64 C ATOM 714 CZ PHE A 93 40.500 4.796 -13.227 1.00 7.55 C ATOM 715 N HIS A 94 39.002 10.444 -14.609 1.00 6.51 N ATOM 716 CA HIS A 94 40.210 11.234 -14.934 1.00 5.60 C ATOM 717 C HIS A 94 40.541 12.058 -13.701 1.00 5.55 C ATOM 718 O HIS A 94 39.743 12.047 -12.723 1.00 4.50 O ATOM 719 CB HIS A 94 40.047 12.065 -16.222 1.00 5.93 C ATOM 720 CG HIS A 94 38.921 13.055 -16.152 1.00 7.00 C ATOM 721 ND1 HIS A 94 37.779 13.022 -16.894 1.00 7.22 N ATOM 722 CD2 HIS A 94 38.847 14.205 -15.440 1.00 7.28 C ATOM 723 CE1 HIS A 94 37.004 14.044 -16.603 1.00 6.81 C ATOM 724 NE2 HIS A 94 37.616 14.823 -15.719 1.00 7.60 N ATOM 725 N PHE A 95 41.685 12.710 -13.726 1.00 4.51 N ATOM 726 CA PHE A 95 42.253 13.505 -12.634 1.00 4.04 C ATOM 727 C PHE A 95 42.600 14.905 -13.117 1.00 3.96 C ATOM 728 O PHE A 95 42.659 15.211 -14.315 1.00 4.66 O ATOM 729 CB PHE A 95 43.502 12.788 -12.031 1.00 3.50 C ATOM 730 CG PHE A 95 43.333 11.418 -11.433 1.00 3.43 C ATOM 731 CD1 PHE A 95 43.457 10.273 -12.225 1.00 4.00 C ATOM 732 CD2 PHE A 95 43.085 11.250 -10.069 1.00 2.88 C ATOM 733 CE1 PHE A 95 43.315 8.979 -11.678 1.00 3.98 C ATOM 734 CE2 PHE A 95 42.968 10.003 -9.477 1.00 3.51 C ATOM 735 CZ PHE A 95 43.088 8.858 -10.278 1.00 3.65 C ATOM 736 N HIS A 96 42.716 15.802 -12.180 1.00 4.76 N ATOM 737 CA HIS A 96 43.110 17.185 -12.246 1.00 5.01 C ATOM 738 C HIS A 96 44.181 17.342 -11.126 1.00 5.82 C ATOM 739 O HIS A 96 43.968 16.769 -10.041 1.00 6.26 O ATOM 740 CB HIS A 96 42.076 18.304 -12.051 1.00 5.31 C ATOM 741 CG HIS A 96 41.046 18.256 -13.143 1.00 5.84 C ATOM 742 ND1 HIS A 96 41.033 19.016 -14.253 1.00 6.59 N ATOM 743 CD2 HIS A 96 39.988 17.415 -13.229 1.00 6.20 C ATOM 744 CE1 HIS A 96 39.972 18.692 -15.015 1.00 6.64 C ATOM 745 NE2 HIS A 96 39.356 17.706 -14.421 1.00 6.97 N ATOM 746 N TRP A 97 45.205 18.071 -11.464 1.00 6.68 N ATOM 747 CA TRP A 97 46.359 18.320 -10.562 1.00 6.51 C ATOM 748 C TRP A 97 46.954 19.667 -10.909 1.00 6.91 C ATOM 749 O TRP A 97 46.558 20.267 -11.923 1.00 7.03 O ATOM 750 CB TRP A 97 47.331 17.139 -10.685 1.00 7.39 C ATOM 751 CG TRP A 97 47.933 16.955 -12.034 1.00 7.09 C ATOM 752 CD1 TRP A 97 49.014 17.646 -12.538 1.00 6.93 C ATOM 753 CD2 TRP A 97 47.541 16.029 -13.061 1.00 7.39 C ATOM 754 NE1 TRP A 97 49.295 17.199 -13.815 1.00 7.26 N ATOM 755 CE2 TRP A 97 48.408 16.201 -14.147 1.00 6.84 C ATOM 756 CE3 TRP A 97 46.530 15.057 -13.148 1.00 7.55 C ATOM 757 CZ2 TRP A 97 48.306 15.464 -15.315 1.00 7.25 C ATOM 758 CZ3 TRP A 97 46.424 14.299 -14.287 1.00 7.48 C ATOM 759 CH2 TRP A 97 47.307 14.473 -15.382 1.00 7.65 C ATOM 760 N GLY A 98 47.844 20.163 -10.066 1.00 7.53 N ATOM 761 CA GLY A 98 48.467 21.480 -10.264 1.00 8.08 C ATOM 762 C GLY A 98 49.989 21.338 -10.401 1.00 8.42 C ATOM 763 O GLY A 98 50.522 20.228 -10.372 1.00 8.00 O ATOM 764 N SER A 99 50.654 22.466 -10.548 1.00 9.28 N ATOM 765 CA SER A 99 52.142 22.437 -10.686 1.00 10.81 C ATOM 766 C SER A 99 52.828 22.158 -9.367 1.00 11.42 C ATOM 767 O SER A 99 53.969 21.635 -9.289 1.00 11.15 O ATOM 768 CB SER A 99 52.564 23.636 -11.456 1.00 11.53 C ATOM 769 OG SER A 99 52.174 24.874 -10.932 1.00 13.28 O ATOM 770 N THR A 100 52.144 22.392 -8.252 1.00 11.56 N ATOM 771 CA THR A 100 52.669 22.108 -6.901 1.00 11.17 C ATOM 772 C THR A 100 51.822 20.999 -6.270 1.00 10.92 C ATOM 773 O THR A 100 50.668 20.900 -6.618 1.00 10.24 O ATOM 774 CB THR A 100 52.648 23.379 -5.969 1.00 11.12 C ATOM 775 OG1 THR A 100 51.248 23.687 -5.759 1.00 12.36 O ATOM 776 CG2 THR A 100 53.386 24.585 -6.538 1.00 11.45 C ATOM 777 N ASN A 101 52.378 20.236 -5.351 1.00 10.98 N ATOM 778 CA ASN A 101 51.747 19.148 -4.648 1.00 11.35 C ATOM 779 C ASN A 101 50.702 19.625 -3.669 1.00 11.54 C ATOM 780 O ASN A 101 49.803 18.839 -3.278 1.00 12.55 O ATOM 781 CB ASN A 101 52.759 18.201 -3.977 1.00 12.02 C ATOM 782 CG ASN A 101 53.637 17.501 -4.990 1.00 12.94 C ATOM 783 OD1 ASN A 101 53.203 17.077 -6.069 1.00 13.85 O ATOM 784 ND2 ASN A 101 54.945 17.399 -4.659 1.00 12.66 N ATOM 785 N GLU A 102 50.752 20.873 -3.270 1.00 11.91 N ATOM 786 CA GLU A 102 49.753 21.367 -2.323 1.00 12.47 C ATOM 787 C GLU A 102 48.528 22.003 -2.927 1.00 12.86 C ATOM 788 O GLU A 102 47.484 21.961 -2.223 1.00 13.45 O ATOM 789 CB GLU A 102 50.383 22.322 -1.304 1.00 12.62 C ATOM 790 CG GLU A 102 51.635 21.755 -0.585 1.00 12.38 C ATOM 791 CD GLU A 102 52.817 21.506 -1.468 1.00 13.17 C ATOM 792 OE1 GLU A 102 53.242 22.254 -2.338 1.00 13.19 O ATOM 793 OE2 GLU A 102 53.384 20.431 -1.172 1.00 13.51 O ATOM 794 N HIS A 103 48.553 22.571 -4.103 1.00 12.46 N ATOM 795 CA HIS A 103 47.388 23.252 -4.668 1.00 12.57 C ATOM 796 C HIS A 103 47.089 22.864 -6.103 1.00 11.58 C ATOM 797 O HIS A 103 47.630 23.498 -7.016 1.00 12.03 O ATOM 798 CB HIS A 103 47.597 24.807 -4.655 1.00 14.24 C ATOM 799 CG HIS A 103 47.937 25.289 -3.270 1.00 15.77 C ATOM 800 ND1 HIS A 103 49.107 25.908 -2.925 1.00 16.17 N ATOM 801 CD2 HIS A 103 47.197 25.203 -2.131 1.00 16.03 C ATOM 802 CE1 HIS A 103 49.079 26.202 -1.624 1.00 16.39 C ATOM 803 NE2 HIS A 103 47.923 25.778 -1.125 1.00 16.85 N ATOM 804 N GLY A 104 46.207 21.906 -6.325 1.00 10.44 N ATOM 805 CA GLY A 104 45.871 21.453 -7.668 1.00 8.22 C ATOM 806 C GLY A 104 44.497 20.906 -7.863 1.00 7.59 C ATOM 807 O GLY A 104 44.258 20.314 -8.923 1.00 8.02 O ATOM 808 N SER A 105 43.617 20.992 -6.902 1.00 7.29 N ATOM 809 CA SER A 105 42.223 20.479 -7.038 1.00 7.08 C ATOM 810 C SER A 105 41.446 21.567 -7.785 1.00 7.94 C ATOM 811 O SER A 105 41.962 22.688 -8.019 1.00 7.95 O ATOM 812 CB SER A 105 41.644 20.183 -5.685 1.00 6.09 C ATOM 813 OG SER A 105 41.350 21.377 -4.951 1.00 5.77 O ATOM 814 N GLU A 106 40.223 21.206 -8.174 1.00 8.08 N ATOM 815 CA GLU A 106 39.389 22.195 -8.905 1.00 7.60 C ATOM 816 C GLU A 106 38.449 22.844 -7.902 1.00 7.50 C ATOM 817 O GLU A 106 38.467 24.077 -7.765 1.00 7.87 O ATOM 818 CB GLU A 106 38.681 21.583 -10.090 1.00 7.63 C ATOM 819 CG GLU A 106 39.630 21.021 -11.152 1.00 7.59 C ATOM 820 CD GLU A 106 39.214 21.105 -12.573 1.00 8.08 C ATOM 821 OE1 GLU A 106 38.232 20.364 -12.800 1.00 7.90 O ATOM 822 OE2 GLU A 106 39.772 21.788 -13.423 1.00 8.39 O ATOM 823 N HIS A 107 37.697 22.025 -7.195 1.00 7.15 N ATOM 824 CA HIS A 107 36.758 22.525 -6.175 1.00 7.24 C ATOM 825 C HIS A 107 37.605 22.791 -4.900 1.00 7.25 C ATOM 826 O HIS A 107 38.619 22.137 -4.760 1.00 6.48 O ATOM 827 CB HIS A 107 35.611 21.589 -5.812 1.00 5.98 C ATOM 828 CG HIS A 107 34.683 21.337 -6.963 1.00 5.76 C ATOM 829 ND1 HIS A 107 34.868 20.386 -7.928 1.00 5.73 N ATOM 830 CD2 HIS A 107 33.493 21.924 -7.229 1.00 5.38 C ATOM 831 CE1 HIS A 107 33.848 20.431 -8.772 1.00 5.94 C ATOM 832 NE2 HIS A 107 32.998 21.313 -8.342 1.00 5.68 N ATOM 833 N THR A 108 37.169 23.772 -4.153 1.00 7.64 N ATOM 834 CA THR A 108 37.751 24.222 -2.911 1.00 8.33 C ATOM 835 C THR A 108 36.640 24.169 -1.859 1.00 8.98 C ATOM 836 O THR A 108 35.435 24.224 -2.208 1.00 8.20 O ATOM 837 CB THR A 108 38.459 25.625 -2.984 1.00 8.41 C ATOM 838 OG1 THR A 108 37.446 26.664 -3.097 1.00 9.20 O ATOM 839 CG2 THR A 108 39.498 25.764 -4.108 1.00 8.31 C ATOM 840 N VAL A 109 37.049 24.049 -0.616 1.00 10.04 N ATOM 841 CA VAL A 109 36.088 23.986 0.509 1.00 11.04 C ATOM 842 C VAL A 109 36.486 25.066 1.511 1.00 12.51 C ATOM 843 O VAL A 109 37.613 24.984 2.031 1.00 12.90 O ATOM 844 CB VAL A 109 36.029 22.600 1.186 1.00 10.85 C ATOM 845 CG1 VAL A 109 34.907 22.569 2.248 1.00 10.24 C ATOM 846 CG2 VAL A 109 35.913 21.467 0.211 1.00 9.83 C ATOM 847 N ASP A 110 35.579 25.984 1.789 1.00 13.60 N ATOM 848 CA ASP A 110 35.881 27.090 2.710 1.00 14.70 C ATOM 849 C ASP A 110 37.140 27.824 2.273 1.00 14.77 C ATOM 850 O ASP A 110 37.899 28.258 3.158 1.00 16.01 O ATOM 851 CB ASP A 110 35.871 26.693 4.192 1.00 15.69 C ATOM 852 CG ASP A 110 34.452 26.405 4.664 1.00 15.69 C ATOM 853 OD1 ASP A 110 33.557 27.209 4.374 1.00 16.87 O ATOM 854 OD2 ASP A 110 34.248 25.370 5.289 1.00 16.29 O ATOM 855 N GLY A 111 37.324 28.025 0.989 1.00 14.18 N ATOM 856 CA GLY A 111 38.478 28.754 0.473 1.00 14.04 C ATOM 857 C GLY A 111 39.749 27.946 0.314 1.00 14.46 C ATOM 858 O GLY A 111 40.719 28.452 -0.285 1.00 15.05 O ATOM 859 N VAL A 112 39.752 26.724 0.786 1.00 14.00 N ATOM 860 CA VAL A 112 40.894 25.817 0.772 1.00 14.38 C ATOM 861 C VAL A 112 40.987 24.882 -0.415 1.00 13.63 C ATOM 862 O VAL A 112 40.101 24.084 -0.702 1.00 12.94 O ATOM 863 CB VAL A 112 40.905 25.041 2.128 1.00 14.87 C ATOM 864 CG1 VAL A 112 42.047 24.028 2.152 1.00 15.58 C ATOM 865 CG2 VAL A 112 41.031 26.055 3.251 1.00 15.24 C ATOM 866 N LYS A 113 42.106 25.016 -1.091 1.00 13.03 N ATOM 867 CA LYS A 113 42.421 24.212 -2.289 1.00 13.24 C ATOM 868 C LYS A 113 43.200 22.975 -1.853 1.00 12.38 C ATOM 869 O LYS A 113 44.069 23.061 -0.972 1.00 12.76 O ATOM 870 CB LYS A 113 43.150 25.063 -3.288 1.00 13.37 C ATOM 871 CG LYS A 113 43.438 24.441 -4.632 1.00 13.70 C ATOM 872 CD LYS A 113 42.984 25.303 -5.774 1.00 13.63 C ATOM 873 CE LYS A 113 43.957 25.233 -6.942 1.00 14.02 C ATOM 874 NZ LYS A 113 43.244 25.778 -8.144 1.00 14.57 N ATOM 875 N TYR A 114 42.805 21.843 -2.403 1.00 11.34 N ATOM 876 CA TYR A 114 43.399 20.534 -2.129 1.00 11.05 C ATOM 877 C TYR A 114 44.509 20.251 -3.140 1.00 9.25 C ATOM 878 O TYR A 114 44.753 21.150 -3.971 1.00 8.73 O ATOM 879 CB TYR A 114 42.330 19.424 -2.095 1.00 12.79 C ATOM 880 CG TYR A 114 41.574 19.401 -0.780 1.00 14.43 C ATOM 881 CD1 TYR A 114 40.898 20.549 -0.387 1.00 15.57 C ATOM 882 CD2 TYR A 114 41.518 18.257 0.021 1.00 15.50 C ATOM 883 CE1 TYR A 114 40.170 20.591 0.798 1.00 16.97 C ATOM 884 CE2 TYR A 114 40.794 18.273 1.217 1.00 17.02 C ATOM 885 CZ TYR A 114 40.122 19.442 1.589 1.00 17.77 C ATOM 886 OH TYR A 114 39.388 19.522 2.744 1.00 18.82 O ATOM 887 N SER A 115 45.116 19.077 -3.071 1.00 8.85 N ATOM 888 CA SER A 115 46.272 18.716 -3.916 1.00 8.62 C ATOM 889 C SER A 115 45.902 18.247 -5.310 1.00 7.44 C ATOM 890 O SER A 115 46.616 18.551 -6.279 1.00 7.96 O ATOM 891 CB SER A 115 47.106 17.571 -3.290 1.00 9.03 C ATOM 892 OG SER A 115 47.475 17.991 -1.992 1.00 10.62 O ATOM 893 N ALA A 116 44.808 17.514 -5.365 1.00 5.52 N ATOM 894 CA ALA A 116 44.345 16.945 -6.641 1.00 5.58 C ATOM 895 C ALA A 116 42.872 16.555 -6.560 1.00 5.27 C ATOM 896 O ALA A 116 42.209 16.687 -5.500 1.00 5.40 O ATOM 897 CB ALA A 116 45.330 15.821 -7.035 1.00 3.65 C ATOM 898 N GLU A 117 42.332 16.049 -7.659 1.00 5.31 N ATOM 899 CA GLU A 117 40.899 15.675 -7.676 1.00 4.46 C ATOM 900 C GLU A 117 40.584 14.605 -8.683 1.00 4.70 C ATOM 901 O GLU A 117 41.075 14.626 -9.818 1.00 4.07 O ATOM 902 CB GLU A 117 40.084 16.961 -8.055 1.00 5.11 C ATOM 903 CG GLU A 117 38.595 16.927 -7.731 1.00 5.18 C ATOM 904 CD GLU A 117 37.751 18.145 -7.855 1.00 5.78 C ATOM 905 OE1 GLU A 117 38.254 19.111 -7.295 1.00 6.68 O ATOM 906 OE2 GLU A 117 36.670 18.316 -8.394 1.00 6.43 O ATOM 907 N LEU A 118 39.762 13.602 -8.272 1.00 4.45 N ATOM 908 CA LEU A 118 39.332 12.507 -9.128 1.00 4.78 C ATOM 909 C LEU A 118 37.896 12.796 -9.596 1.00 5.00 C ATOM 910 O LEU A 118 37.092 13.177 -8.724 1.00 5.88 O ATOM 911 CB LEU A 118 39.392 11.164 -8.382 1.00 4.82 C ATOM 912 CG LEU A 118 38.660 9.947 -8.925 1.00 5.11 C ATOM 913 CD1 LEU A 118 39.289 9.370 -10.221 1.00 5.01 C ATOM 914 CD2 LEU A 118 38.739 8.818 -7.879 1.00 4.93 C ATOM 915 N HIS A 119 37.625 12.672 -10.871 1.00 4.53 N ATOM 916 CA HIS A 119 36.286 12.900 -11.455 1.00 4.43 C ATOM 917 C HIS A 119 35.832 11.572 -12.064 1.00 4.84 C ATOM 918 O HIS A 119 36.606 11.067 -12.888 1.00 6.27 O ATOM 919 CB HIS A 119 36.278 13.984 -12.552 1.00 2.87 C ATOM 920 CG HIS A 119 36.483 15.406 -12.020 1.00 2.78 C ATOM 921 ND1 HIS A 119 36.696 16.497 -12.864 1.00 2.79 N ATOM 922 CD2 HIS A 119 36.442 15.897 -10.788 1.00 2.57 C ATOM 923 CE1 HIS A 119 36.795 17.577 -12.123 1.00 2.42 C ATOM 924 NE2 HIS A 119 36.677 17.280 -10.881 1.00 2.89 N ATOM 925 N VAL A 120 34.732 11.027 -11.675 1.00 4.96 N ATOM 926 CA VAL A 120 34.102 9.779 -12.178 1.00 5.62 C ATOM 927 C VAL A 120 32.804 10.281 -12.868 1.00 6.10 C ATOM 928 O VAL A 120 31.931 10.859 -12.198 1.00 6.78 O ATOM 929 CB VAL A 120 33.936 8.719 -11.104 1.00 5.48 C ATOM 930 CG1 VAL A 120 33.646 7.331 -11.631 1.00 4.72 C ATOM 931 CG2 VAL A 120 35.203 8.610 -10.210 1.00 6.28 C ATOM 932 N ALA A 121 32.761 10.175 -14.180 1.00 5.83 N ATOM 933 CA ALA A 121 31.681 10.727 -14.991 1.00 5.98 C ATOM 934 C ALA A 121 30.734 9.628 -15.483 1.00 6.21 C ATOM 935 O ALA A 121 31.168 8.492 -15.764 1.00 5.98 O ATOM 936 CB ALA A 121 32.328 11.498 -16.164 1.00 5.30 C ATOM 937 N HIS A 122 29.491 9.986 -15.609 1.00 6.68 N ATOM 938 CA HIS A 122 28.394 9.058 -16.053 1.00 6.71 C ATOM 939 C HIS A 122 27.401 9.852 -16.889 1.00 7.93 C ATOM 940 O HIS A 122 27.290 11.069 -16.695 1.00 7.55 O ATOM 941 CB HIS A 122 27.595 8.601 -14.786 1.00 6.72 C ATOM 942 CG HIS A 122 28.414 8.120 -13.655 1.00 6.43 C ATOM 943 ND1 HIS A 122 29.050 8.944 -12.760 1.00 6.91 N ATOM 944 CD2 HIS A 122 28.732 6.864 -13.246 1.00 5.88 C ATOM 945 CE1 HIS A 122 29.708 8.245 -11.848 1.00 5.37 C ATOM 946 NE2 HIS A 122 29.510 6.998 -12.119 1.00 5.56 N ATOM 947 N TRP A 123 26.677 9.222 -17.799 1.00 9.25 N ATOM 948 CA TRP A 123 25.695 9.925 -18.624 1.00 10.72 C ATOM 949 C TRP A 123 24.309 9.281 -18.370 1.00 11.59 C ATOM 950 O TRP A 123 24.221 8.114 -17.963 1.00 11.58 O ATOM 951 CB TRP A 123 26.055 10.024 -20.084 1.00 11.01 C ATOM 952 CG TRP A 123 26.215 8.762 -20.843 1.00 12.31 C ATOM 953 CD1 TRP A 123 27.333 7.985 -20.962 1.00 12.49 C ATOM 954 CD2 TRP A 123 25.206 8.114 -21.649 1.00 13.11 C ATOM 955 NE1 TRP A 123 27.082 6.880 -21.742 1.00 13.28 N ATOM 956 CE2 TRP A 123 25.774 6.927 -22.162 1.00 13.25 C ATOM 957 CE3 TRP A 123 23.891 8.427 -21.961 1.00 13.33 C ATOM 958 CZ2 TRP A 123 25.089 6.107 -23.043 1.00 13.36 C ATOM 959 CZ3 TRP A 123 23.195 7.569 -22.808 1.00 13.83 C ATOM 960 CH2 TRP A 123 23.773 6.415 -23.330 1.00 13.65 C ATOM 961 N ASN A 124 23.289 10.094 -18.598 1.00 12.91 N ATOM 962 CA ASN A 124 21.870 9.742 -18.401 1.00 14.32 C ATOM 963 C ASN A 124 21.357 8.891 -19.571 1.00 15.34 C ATOM 964 O ASN A 124 20.906 9.464 -20.577 1.00 15.78 O ATOM 965 CB ASN A 124 21.059 11.045 -18.222 1.00 14.23 C ATOM 966 CG ASN A 124 19.658 10.721 -17.702 1.00 14.82 C ATOM 967 OD1 ASN A 124 19.175 9.584 -17.853 1.00 14.74 O ATOM 968 ND2 ASN A 124 19.043 11.722 -17.065 1.00 14.58 N ATOM 969 N SER A 125 21.413 7.604 -19.418 1.00 16.67 N ATOM 970 CA SER A 125 21.039 6.578 -20.381 1.00 18.57 C ATOM 971 C SER A 125 19.522 6.329 -20.423 1.00 19.59 C ATOM 972 O SER A 125 18.993 5.690 -21.326 1.00 18.60 O ATOM 973 CB SER A 125 21.802 5.289 -20.149 1.00 18.11 C ATOM 974 OG SER A 125 21.574 4.603 -18.933 1.00 18.28 O ATOM 975 N ALA A 126 18.880 6.839 -19.402 1.00 22.11 N ATOM 976 CA ALA A 126 17.426 6.772 -19.221 1.00 23.41 C ATOM 977 C ALA A 126 16.694 7.812 -20.042 1.00 24.09 C ATOM 978 O ALA A 126 15.487 7.597 -20.282 1.00 25.17 O ATOM 979 CB ALA A 126 17.107 6.842 -17.734 1.00 23.44 C ATOM 980 N LYS A 127 17.300 8.868 -20.516 1.00 24.72 N ATOM 981 CA LYS A 127 16.703 9.939 -21.290 1.00 24.65 C ATOM 982 C LYS A 127 17.360 10.227 -22.635 1.00 25.52 C ATOM 983 O LYS A 127 16.791 10.935 -23.513 1.00 26.49 O ATOM 984 CB LYS A 127 16.824 11.284 -20.544 1.00 24.18 C ATOM 985 CG LYS A 127 15.915 11.424 -19.358 1.00 24.25 C ATOM 986 CD LYS A 127 14.442 11.244 -19.671 1.00 23.95 C ATOM 987 CE LYS A 127 13.663 11.151 -18.367 1.00 24.18 C ATOM 988 NZ LYS A 127 14.345 12.029 -17.353 1.00 24.18 N ATOM 989 N TYR A 128 18.604 9.800 -22.751 1.00 25.20 N ATOM 990 CA TYR A 128 19.370 10.070 -23.980 1.00 24.46 C ATOM 991 C TYR A 128 19.802 8.734 -24.544 1.00 24.25 C ATOM 992 O TYR A 128 19.873 7.714 -23.855 1.00 24.10 O ATOM 993 CB TYR A 128 20.442 11.125 -23.755 1.00 23.78 C ATOM 994 CG TYR A 128 19.880 12.384 -23.136 1.00 24.19 C ATOM 995 CD1 TYR A 128 19.259 13.376 -23.918 1.00 24.29 C ATOM 996 CD2 TYR A 128 19.950 12.597 -21.757 1.00 24.02 C ATOM 997 CE1 TYR A 128 18.728 14.529 -23.329 1.00 24.52 C ATOM 998 CE2 TYR A 128 19.433 13.725 -21.147 1.00 23.79 C ATOM 999 CZ TYR A 128 18.821 14.694 -21.933 1.00 24.39 C ATOM 1000 OH TYR A 128 18.319 15.794 -21.326 1.00 24.10 O ATOM 1001 N SER A 129 20.013 8.803 -25.848 1.00 24.81 N ATOM 1002 CA SER A 129 20.397 7.605 -26.632 1.00 24.57 C ATOM 1003 C SER A 129 21.901 7.468 -26.716 1.00 23.57 C ATOM 1004 O SER A 129 22.340 6.342 -26.983 1.00 23.81 O ATOM 1005 CB SER A 129 19.740 7.645 -28.011 1.00 24.62 C ATOM 1006 OG SER A 129 20.278 8.766 -28.707 1.00 25.80 O ATOM 1007 N SER A 130 22.646 8.531 -26.460 1.00 22.88 N ATOM 1008 CA SER A 130 24.134 8.452 -26.486 1.00 21.50 C ATOM 1009 C SER A 130 24.765 9.536 -25.606 1.00 20.66 C ATOM 1010 O SER A 130 24.092 10.432 -25.087 1.00 20.65 O ATOM 1011 CB SER A 130 24.617 8.543 -27.923 1.00 21.07 C ATOM 1012 OG SER A 130 24.489 9.876 -28.390 1.00 21.61 O ATOM 1013 N LEU A 131 26.087 9.455 -25.391 1.00 18.78 N ATOM 1014 CA LEU A 131 26.786 10.442 -24.581 1.00 17.86 C ATOM 1015 C LEU A 131 26.855 11.770 -25.341 1.00 17.89 C ATOM 1016 O LEU A 131 26.800 12.844 -24.758 1.00 16.28 O ATOM 1017 CB LEU A 131 28.189 9.913 -24.202 1.00 16.95 C ATOM 1018 CG LEU A 131 29.226 10.953 -23.774 1.00 16.98 C ATOM 1019 CD1 LEU A 131 28.870 11.626 -22.445 1.00 15.97 C ATOM 1020 CD2 LEU A 131 30.603 10.293 -23.657 1.00 16.54 C ATOM 1021 N ALA A 132 27.037 11.675 -26.661 1.00 19.28 N ATOM 1022 CA ALA A 132 27.167 12.849 -27.550 1.00 20.46 C ATOM 1023 C ALA A 132 25.999 13.831 -27.410 1.00 21.35 C ATOM 1024 O ALA A 132 26.136 15.080 -27.351 1.00 21.73 O ATOM 1025 CB ALA A 132 27.288 12.355 -29.005 1.00 20.19 C ATOM 1026 N GLU A 133 24.820 13.253 -27.369 1.00 22.28 N ATOM 1027 CA GLU A 133 23.536 13.934 -27.255 1.00 23.03 C ATOM 1028 C GLU A 133 23.307 14.543 -25.872 1.00 22.03 C ATOM 1029 O GLU A 133 22.979 15.742 -25.779 1.00 21.54 O ATOM 1030 CB GLU A 133 22.405 12.943 -27.508 1.00 24.99 C ATOM 1031 CG GLU A 133 21.180 13.506 -28.258 1.00 27.39 C ATOM 1032 CD GLU A 133 19.921 12.712 -27.988 1.00 28.46 C ATOM 1033 OE1 GLU A 133 19.846 11.505 -27.858 1.00 29.30 O ATOM 1034 OE2 GLU A 133 18.946 13.489 -27.877 1.00 29.57 O ATOM 1035 N ALA A 134 23.499 13.730 -24.867 1.00 21.10 N ATOM 1036 CA ALA A 134 23.353 14.039 -23.443 1.00 19.89 C ATOM 1037 C ALA A 134 24.310 15.061 -22.874 1.00 19.22 C ATOM 1038 O ALA A 134 24.012 15.728 -21.847 1.00 19.24 O ATOM 1039 CB ALA A 134 23.490 12.726 -22.627 1.00 19.26 C ATOM 1040 N ALA A 135 25.472 15.179 -23.460 1.00 18.16 N ATOM 1041 CA ALA A 135 26.544 16.054 -23.027 1.00 17.76 C ATOM 1042 C ALA A 135 26.175 17.516 -22.965 1.00 17.52 C ATOM 1043 O ALA A 135 26.721 18.254 -22.087 1.00 17.65 O ATOM 1044 CB ALA A 135 27.782 15.814 -23.873 1.00 17.86 C ATOM 1045 N SER A 136 25.305 17.947 -23.857 1.00 16.47 N ATOM 1046 CA SER A 136 24.921 19.372 -23.848 1.00 16.62 C ATOM 1047 C SER A 136 23.620 19.619 -23.085 1.00 16.66 C ATOM 1048 O SER A 136 23.261 20.811 -22.926 1.00 17.46 O ATOM 1049 CB SER A 136 24.826 19.868 -25.310 1.00 16.61 C ATOM 1050 OG SER A 136 23.863 19.023 -25.940 1.00 17.28 O ATOM 1051 N LYS A 137 22.947 18.619 -22.576 1.00 15.93 N ATOM 1052 CA LYS A 137 21.678 18.777 -21.844 1.00 16.35 C ATOM 1053 C LYS A 137 21.830 18.975 -20.332 1.00 15.58 C ATOM 1054 O LYS A 137 22.671 18.299 -19.691 1.00 15.44 O ATOM 1055 CB LYS A 137 20.754 17.600 -22.137 1.00 16.80 C ATOM 1056 CG LYS A 137 20.470 17.414 -23.639 1.00 17.93 C ATOM 1057 CD LYS A 137 20.273 18.735 -24.335 1.00 18.96 C ATOM 1058 CE LYS A 137 19.938 18.596 -25.836 1.00 20.44 C ATOM 1059 NZ LYS A 137 20.455 19.823 -26.544 1.00 20.42 N ATOM 1060 N ALA A 138 20.986 19.839 -19.758 1.00 14.23 N ATOM 1061 CA ALA A 138 21.012 20.170 -18.342 1.00 13.82 C ATOM 1062 C ALA A 138 21.141 18.976 -17.393 1.00 13.16 C ATOM 1063 O ALA A 138 21.792 19.122 -16.333 1.00 12.98 O ATOM 1064 CB ALA A 138 19.810 21.010 -17.892 1.00 13.36 C ATOM 1065 N ASP A 139 20.513 17.881 -17.733 1.00 12.11 N ATOM 1066 CA ASP A 139 20.504 16.668 -16.938 1.00 11.65 C ATOM 1067 C ASP A 139 21.343 15.570 -17.611 1.00 11.19 C ATOM 1068 O ASP A 139 21.156 14.412 -17.240 1.00 11.33 O ATOM 1069 CB ASP A 139 19.091 16.141 -16.683 1.00 11.90 C ATOM 1070 CG ASP A 139 18.378 15.817 -17.999 1.00 12.22 C ATOM 1071 OD1 ASP A 139 18.711 16.352 -19.047 1.00 12.16 O ATOM 1072 OD2 ASP A 139 17.431 15.009 -17.938 1.00 12.72 O ATOM 1073 N GLY A 140 22.228 15.921 -18.535 1.00 10.47 N ATOM 1074 CA GLY A 140 22.991 14.904 -19.219 1.00 10.18 C ATOM 1075 C GLY A 140 24.020 14.081 -18.492 1.00 9.44 C ATOM 1076 O GLY A 140 24.113 12.831 -18.721 1.00 9.46 O ATOM 1077 N LEU A 141 24.790 14.723 -17.635 1.00 8.96 N ATOM 1078 CA LEU A 141 25.904 14.036 -16.938 1.00 8.43 C ATOM 1079 C LEU A 141 25.883 14.176 -15.431 1.00 7.46 C ATOM 1080 O LEU A 141 25.363 15.164 -14.908 1.00 7.23 O ATOM 1081 CB LEU A 141 27.161 14.700 -17.555 1.00 7.92 C ATOM 1082 CG LEU A 141 27.319 14.767 -19.060 1.00 7.78 C ATOM 1083 CD1 LEU A 141 28.477 15.674 -19.437 1.00 7.80 C ATOM 1084 CD2 LEU A 141 27.620 13.361 -19.602 1.00 7.60 C ATOM 1085 N ALA A 142 26.452 13.193 -14.763 1.00 6.17 N ATOM 1086 CA ALA A 142 26.624 13.161 -13.309 1.00 5.97 C ATOM 1087 C ALA A 142 28.146 12.869 -13.068 1.00 6.09 C ATOM 1088 O ALA A 142 28.667 11.859 -13.584 1.00 5.60 O ATOM 1089 CB ALA A 142 25.813 12.091 -12.624 1.00 4.79 C ATOM 1090 N VAL A 143 28.788 13.704 -12.297 1.00 5.92 N ATOM 1091 CA VAL A 143 30.236 13.467 -12.012 1.00 5.31 C ATOM 1092 C VAL A 143 30.494 13.426 -10.504 1.00 5.43 C ATOM 1093 O VAL A 143 30.070 14.390 -9.867 1.00 4.48 O ATOM 1094 CB VAL A 143 31.116 14.557 -12.659 1.00 5.23 C ATOM 1095 CG1 VAL A 143 32.616 14.254 -12.434 1.00 5.03 C ATOM 1096 CG2 VAL A 143 30.881 14.668 -14.148 1.00 5.24 C ATOM 1097 N ILE A 144 31.128 12.354 -10.063 1.00 5.63 N ATOM 1098 CA ILE A 144 31.480 12.266 -8.618 1.00 6.06 C ATOM 1099 C ILE A 144 32.871 12.937 -8.505 1.00 6.46 C ATOM 1100 O ILE A 144 33.739 12.531 -9.280 1.00 6.94 O ATOM 1101 CB ILE A 144 31.542 10.811 -8.144 1.00 6.21 C ATOM 1102 CG1 ILE A 144 30.106 10.165 -8.138 1.00 6.98 C ATOM 1103 CG2 ILE A 144 32.182 10.627 -6.710 1.00 5.72 C ATOM 1104 CD1 ILE A 144 30.262 8.616 -7.789 1.00 7.21 C ATOM 1105 N GLY A 145 33.052 13.885 -7.643 1.00 6.53 N ATOM 1106 CA GLY A 145 34.350 14.568 -7.437 1.00 6.62 C ATOM 1107 C GLY A 145 34.885 14.139 -6.059 1.00 7.09 C ATOM 1108 O GLY A 145 34.151 14.205 -5.051 1.00 7.19 O ATOM 1109 N VAL A 146 36.131 13.716 -6.003 1.00 6.94 N ATOM 1110 CA VAL A 146 36.768 13.306 -4.726 1.00 6.43 C ATOM 1111 C VAL A 146 38.063 14.125 -4.606 1.00 6.46 C ATOM 1112 O VAL A 146 38.892 14.053 -5.541 1.00 5.62 O ATOM 1113 CB VAL A 146 37.096 11.797 -4.687 1.00 6.68 C ATOM 1114 CG1 VAL A 146 37.769 11.380 -3.349 1.00 6.02 C ATOM 1115 CG2 VAL A 146 35.914 10.900 -4.974 1.00 6.74 C ATOM 1116 N LEU A 147 38.147 14.840 -3.517 1.00 7.65 N ATOM 1117 CA LEU A 147 39.281 15.687 -3.151 1.00 8.44 C ATOM 1118 C LEU A 147 40.400 14.756 -2.636 1.00 8.08 C ATOM 1119 O LEU A 147 40.140 13.754 -1.944 1.00 7.54 O ATOM 1120 CB LEU A 147 38.903 16.831 -2.215 1.00 8.64 C ATOM 1121 CG LEU A 147 37.789 17.786 -2.576 1.00 9.25 C ATOM 1122 CD1 LEU A 147 37.245 18.450 -1.293 1.00 9.14 C ATOM 1123 CD2 LEU A 147 38.259 18.904 -3.487 1.00 9.88 C ATOM 1124 N MET A 148 41.581 15.115 -3.096 1.00 8.05 N ATOM 1125 CA MET A 148 42.852 14.423 -2.825 1.00 8.26 C ATOM 1126 C MET A 148 43.772 15.389 -2.070 1.00 8.86 C ATOM 1127 O MET A 148 44.020 16.527 -2.440 1.00 9.15 O ATOM 1128 CB MET A 148 43.499 13.878 -4.089 1.00 7.69 C ATOM 1129 CG MET A 148 42.702 12.770 -4.685 1.00 7.89 C ATOM 1130 SD MET A 148 43.174 12.430 -6.407 1.00 7.70 S ATOM 1131 CE MET A 148 44.651 11.464 -6.143 1.00 8.66 C ATOM 1132 N LYS A 149 44.254 14.904 -0.974 1.00 10.16 N ATOM 1133 CA LYS A 149 45.106 15.524 0.024 1.00 11.74 C ATOM 1134 C LYS A 149 46.464 14.838 0.093 1.00 11.59 C ATOM 1135 O LYS A 149 46.570 13.635 0.363 1.00 10.15 O ATOM 1136 CB LYS A 149 44.373 15.231 1.370 1.00 13.83 C ATOM 1137 CG LYS A 149 44.016 16.496 2.100 1.00 16.71 C ATOM 1138 CD LYS A 149 44.419 16.451 3.584 1.00 19.34 C ATOM 1139 CE LYS A 149 44.382 17.872 4.157 1.00 21.07 C ATOM 1140 NZ LYS A 149 43.728 17.906 5.515 1.00 22.22 N ATOM 1141 N VAL A 150 47.515 15.625 -0.121 1.00 12.18 N ATOM 1142 CA VAL A 150 48.865 15.038 -0.097 1.00 12.95 C ATOM 1143 C VAL A 150 49.208 14.574 1.325 1.00 14.01 C ATOM 1144 O VAL A 150 49.011 15.281 2.318 1.00 13.75 O ATOM 1145 CB VAL A 150 49.873 15.965 -0.777 1.00 13.09 C ATOM 1146 CG1 VAL A 150 50.192 17.177 0.090 1.00 13.62 C ATOM 1147 CG2 VAL A 150 51.151 15.233 -1.137 1.00 13.73 C ATOM 1148 N GLY A 151 49.711 13.341 1.376 1.00 13.92 N ATOM 1149 CA GLY A 151 50.104 12.711 2.610 1.00 15.09 C ATOM 1150 C GLY A 151 50.744 11.347 2.325 1.00 16.17 C ATOM 1151 O GLY A 151 51.763 11.225 1.662 1.00 15.45 O ATOM 1152 N GLU A 152 50.058 10.360 2.884 1.00 17.78 N ATOM 1153 CA GLU A 152 50.477 8.944 2.733 1.00 19.03 C ATOM 1154 C GLU A 152 50.160 8.460 1.329 1.00 18.09 C ATOM 1155 O GLU A 152 49.090 8.805 0.782 1.00 17.45 O ATOM 1156 CB GLU A 152 49.754 8.075 3.761 1.00 20.73 C ATOM 1157 CG GLU A 152 50.021 8.320 5.264 1.00 23.17 C ATOM 1158 CD GLU A 152 51.335 7.874 5.814 1.00 24.07 C ATOM 1159 OE1 GLU A 152 51.461 6.635 5.835 1.00 25.22 O ATOM 1160 OE2 GLU A 152 52.253 8.599 6.209 1.00 25.51 O ATOM 1161 N ALA A 153 51.038 7.650 0.759 1.00 17.08 N ATOM 1162 CA ALA A 153 50.861 7.065 -0.573 1.00 16.40 C ATOM 1163 C ALA A 153 49.561 6.229 -0.597 1.00 16.08 C ATOM 1164 O ALA A 153 49.274 5.515 0.373 1.00 15.31 O ATOM 1165 CB ALA A 153 52.021 6.125 -0.932 1.00 16.44 C ATOM 1166 N ASN A 154 48.844 6.317 -1.704 1.00 15.34 N ATOM 1167 CA ASN A 154 47.584 5.547 -1.850 1.00 14.84 C ATOM 1168 C ASN A 154 47.839 4.336 -2.746 1.00 14.61 C ATOM 1169 O ASN A 154 47.987 4.449 -3.967 1.00 14.78 O ATOM 1170 CB ASN A 154 46.488 6.499 -2.316 1.00 14.36 C ATOM 1171 CG ASN A 154 45.098 5.914 -2.423 1.00 14.04 C ATOM 1172 OD1 ASN A 154 44.915 4.711 -2.364 1.00 13.18 O ATOM 1173 ND2 ASN A 154 44.062 6.784 -2.553 1.00 13.83 N ATOM 1174 N PRO A 155 47.876 3.157 -2.146 1.00 14.82 N ATOM 1175 CA PRO A 155 48.123 1.910 -2.854 1.00 14.55 C ATOM 1176 C PRO A 155 47.042 1.542 -3.847 1.00 14.37 C ATOM 1177 O PRO A 155 47.343 0.861 -4.837 1.00 14.21 O ATOM 1178 CB PRO A 155 48.365 0.864 -1.769 1.00 14.43 C ATOM 1179 CG PRO A 155 47.634 1.410 -0.585 1.00 14.57 C ATOM 1180 CD PRO A 155 47.764 2.930 -0.681 1.00 14.38 C ATOM 1181 N LYS A 156 45.828 2.020 -3.682 1.00 14.71 N ATOM 1182 CA LYS A 156 44.760 1.753 -4.657 1.00 14.78 C ATOM 1183 C LYS A 156 44.976 2.422 -6.003 1.00 13.59 C ATOM 1184 O LYS A 156 44.248 2.031 -6.941 1.00 13.48 O ATOM 1185 CB LYS A 156 43.380 2.150 -4.136 1.00 15.57 C ATOM 1186 CG LYS A 156 42.963 1.361 -2.897 1.00 16.98 C ATOM 1187 CD LYS A 156 42.038 2.210 -2.022 1.00 17.36 C ATOM 1188 CE LYS A 156 41.110 1.197 -1.311 1.00 19.13 C ATOM 1189 NZ LYS A 156 41.982 -0.018 -1.041 1.00 19.48 N ATOM 1190 N LEU A 157 45.867 3.394 -6.118 1.00 12.58 N ATOM 1191 CA LEU A 157 46.115 4.055 -7.386 1.00 12.59 C ATOM 1192 C LEU A 157 47.099 3.291 -8.271 1.00 12.98 C ATOM 1193 O LEU A 157 47.177 3.529 -9.482 1.00 13.47 O ATOM 1194 CB LEU A 157 46.637 5.480 -7.130 1.00 12.85 C ATOM 1195 CG LEU A 157 45.791 6.587 -6.594 1.00 12.47 C ATOM 1196 CD1 LEU A 157 46.620 7.811 -6.184 1.00 12.60 C ATOM 1197 CD2 LEU A 157 44.862 7.126 -7.699 1.00 12.35 C ATOM 1198 N GLN A 158 47.850 2.385 -7.730 1.00 13.79 N ATOM 1199 CA GLN A 158 48.905 1.622 -8.359 1.00 14.78 C ATOM 1200 C GLN A 158 48.684 1.174 -9.786 1.00 14.07 C ATOM 1201 O GLN A 158 49.527 1.479 -10.633 1.00 12.81 O ATOM 1202 CB GLN A 158 49.379 0.464 -7.472 1.00 15.98 C ATOM 1203 CG GLN A 158 50.739 -0.072 -7.903 1.00 18.74 C ATOM 1204 CD GLN A 158 51.776 1.005 -7.923 1.00 20.48 C ATOM 1205 OE1 GLN A 158 52.577 1.087 -8.851 1.00 21.64 O ATOM 1206 NE2 GLN A 158 51.740 1.890 -6.918 1.00 21.59 N ATOM 1207 N LYS A 159 47.618 0.413 -10.029 1.00 14.02 N ATOM 1208 CA LYS A 159 47.349 -0.128 -11.363 1.00 13.94 C ATOM 1209 C LYS A 159 47.249 0.982 -12.384 1.00 12.67 C ATOM 1210 O LYS A 159 47.625 0.750 -13.546 1.00 12.39 O ATOM 1211 CB LYS A 159 46.151 -1.027 -11.520 1.00 14.84 C ATOM 1212 CG LYS A 159 46.174 -2.368 -10.786 1.00 15.75 C ATOM 1213 CD LYS A 159 44.773 -3.022 -10.902 1.00 15.71 C ATOM 1214 CE LYS A 159 44.698 -4.332 -10.127 1.00 16.06 C ATOM 1215 NZ LYS A 159 43.526 -5.168 -10.528 1.00 15.71 N ATOM 1216 N VAL A 160 46.757 2.118 -11.964 1.00 12.77 N ATOM 1217 CA VAL A 160 46.633 3.291 -12.877 1.00 12.40 C ATOM 1218 C VAL A 160 48.027 3.865 -13.128 1.00 12.45 C ATOM 1219 O VAL A 160 48.425 4.200 -14.270 1.00 11.39 O ATOM 1220 CB VAL A 160 45.629 4.307 -12.335 1.00 12.79 C ATOM 1221 CG1 VAL A 160 45.652 5.635 -13.039 1.00 12.88 C ATOM 1222 CG2 VAL A 160 44.220 3.714 -12.322 1.00 13.59 C ATOM 1223 N LEU A 161 48.761 4.047 -12.025 1.00 12.62 N ATOM 1224 CA LEU A 161 50.149 4.581 -12.164 1.00 12.59 C ATOM 1225 C LEU A 161 50.966 3.671 -13.075 1.00 12.44 C ATOM 1226 O LEU A 161 51.677 4.198 -13.930 1.00 12.83 O ATOM 1227 CB LEU A 161 50.729 4.719 -10.750 1.00 12.07 C ATOM 1228 CG LEU A 161 50.054 5.796 -9.918 1.00 11.54 C ATOM 1229 CD1 LEU A 161 50.668 5.853 -8.537 1.00 11.52 C ATOM 1230 CD2 LEU A 161 50.189 7.104 -10.695 1.00 11.47 C ATOM 1231 N ASP A 162 50.824 2.368 -12.910 1.00 13.13 N ATOM 1232 CA ASP A 162 51.569 1.389 -13.699 1.00 13.95 C ATOM 1233 C ASP A 162 51.217 1.459 -15.183 1.00 14.57 C ATOM 1234 O ASP A 162 52.125 1.228 -16.013 1.00 14.95 O ATOM 1235 CB ASP A 162 51.460 -0.017 -13.146 1.00 14.83 C ATOM 1236 CG ASP A 162 52.028 -0.211 -11.757 1.00 15.24 C ATOM 1237 OD1 ASP A 162 52.903 0.509 -11.267 1.00 15.86 O ATOM 1238 OD2 ASP A 162 51.579 -1.177 -11.123 1.00 15.50 O ATOM 1239 N ALA A 163 49.993 1.732 -15.540 1.00 14.07 N ATOM 1240 CA ALA A 163 49.554 1.815 -16.920 1.00 14.25 C ATOM 1241 C ALA A 163 50.122 2.981 -17.714 1.00 14.49 C ATOM 1242 O ALA A 163 50.196 2.847 -18.957 1.00 14.60 O ATOM 1243 CB ALA A 163 48.023 1.842 -17.012 1.00 13.41 C ATOM 1244 N LEU A 164 50.479 4.058 -17.033 1.00 14.84 N ATOM 1245 CA LEU A 164 50.985 5.293 -17.565 1.00 15.14 C ATOM 1246 C LEU A 164 52.222 5.124 -18.454 1.00 15.13 C ATOM 1247 O LEU A 164 52.404 5.879 -19.393 1.00 13.10 O ATOM 1248 CB LEU A 164 51.234 6.333 -16.466 1.00 15.65 C ATOM 1249 CG LEU A 164 50.184 6.744 -15.464 1.00 15.87 C ATOM 1250 CD1 LEU A 164 50.587 8.037 -14.753 1.00 14.95 C ATOM 1251 CD2 LEU A 164 48.820 6.929 -16.146 1.00 15.54 C ATOM 1252 N GLN A 165 53.038 4.128 -18.134 1.00 16.56 N ATOM 1253 CA GLN A 165 54.261 3.890 -18.945 1.00 17.97 C ATOM 1254 C GLN A 165 53.948 3.643 -20.408 1.00 17.06 C ATOM 1255 O GLN A 165 54.747 3.989 -21.293 1.00 17.23 O ATOM 1256 CB GLN A 165 55.051 2.744 -18.316 1.00 20.42 C ATOM 1257 CG GLN A 165 54.900 2.847 -16.774 1.00 24.03 C ATOM 1258 CD GLN A 165 55.644 1.675 -16.160 1.00 26.25 C ATOM 1259 OE1 GLN A 165 55.093 0.685 -15.645 1.00 27.90 O ATOM 1260 NE2 GLN A 165 56.967 1.806 -16.321 1.00 27.62 N ATOM 1261 N ALA A 166 52.800 3.044 -20.680 1.00 15.52 N ATOM 1262 CA ALA A 166 52.337 2.715 -22.014 1.00 14.31 C ATOM 1263 C ALA A 166 51.673 3.848 -22.752 1.00 13.45 C ATOM 1264 O ALA A 166 51.452 3.610 -23.952 1.00 12.89 O ATOM 1265 CB ALA A 166 51.352 1.508 -21.978 1.00 14.27 C ATOM 1266 N ILE A 167 51.400 4.986 -22.145 1.00 12.68 N ATOM 1267 CA ILE A 167 50.745 6.096 -22.864 1.00 12.73 C ATOM 1268 C ILE A 167 51.438 7.403 -22.573 1.00 12.67 C ATOM 1269 O ILE A 167 50.789 8.410 -22.285 1.00 12.55 O ATOM 1270 CB ILE A 167 49.226 6.196 -22.471 1.00 12.97 C ATOM 1271 CG1 ILE A 167 49.048 6.385 -20.935 1.00 12.59 C ATOM 1272 CG2 ILE A 167 48.394 4.973 -22.945 1.00 13.33 C ATOM 1273 CD1 ILE A 167 47.726 7.131 -20.585 1.00 11.87 C ATOM 1274 N LYS A 168 52.748 7.375 -22.639 1.00 12.85 N ATOM 1275 CA LYS A 168 53.602 8.508 -22.345 1.00 13.15 C ATOM 1276 C LYS A 168 53.330 9.768 -23.099 1.00 11.82 C ATOM 1277 O LYS A 168 53.428 10.830 -22.443 1.00 12.24 O ATOM 1278 CB LYS A 168 55.069 8.049 -22.364 1.00 15.17 C ATOM 1279 CG LYS A 168 56.162 9.090 -22.269 1.00 17.24 C ATOM 1280 CD LYS A 168 56.133 9.886 -20.961 1.00 19.12 C ATOM 1281 CE LYS A 168 57.277 9.402 -20.044 1.00 20.68 C ATOM 1282 NZ LYS A 168 56.944 9.849 -18.638 1.00 21.28 N ATOM 1283 N THR A 169 53.049 9.777 -24.365 1.00 10.99 N ATOM 1284 CA THR A 169 52.785 10.892 -25.249 1.00 10.17 C ATOM 1285 C THR A 169 51.376 10.869 -25.837 1.00 10.41 C ATOM 1286 O THR A 169 50.715 9.816 -25.856 1.00 9.24 O ATOM 1287 CB THR A 169 53.809 10.899 -26.477 1.00 10.08 C ATOM 1288 OG1 THR A 169 53.737 9.559 -27.055 1.00 10.08 O ATOM 1289 CG2 THR A 169 55.222 11.305 -26.094 1.00 9.83 C ATOM 1290 N LYS A 170 50.942 11.958 -26.361 1.00 10.90 N ATOM 1291 CA LYS A 170 49.636 12.232 -26.974 1.00 12.17 C ATOM 1292 C LYS A 170 49.215 11.276 -28.084 1.00 12.45 C ATOM 1293 O LYS A 170 49.974 11.033 -29.040 1.00 11.88 O ATOM 1294 CB LYS A 170 49.648 13.644 -27.601 1.00 12.86 C ATOM 1295 CG LYS A 170 48.258 14.072 -28.052 1.00 14.85 C ATOM 1296 CD LYS A 170 48.040 15.539 -27.748 1.00 16.44 C ATOM 1297 CE LYS A 170 48.948 16.359 -28.671 1.00 18.44 C ATOM 1298 NZ LYS A 170 48.451 16.065 -30.067 1.00 20.15 N ATOM 1299 N GLY A 171 47.994 10.747 -27.942 1.00 12.34 N ATOM 1300 CA GLY A 171 47.390 9.815 -28.852 1.00 12.45 C ATOM 1301 C GLY A 171 47.650 8.350 -28.528 1.00 13.50 C ATOM 1302 O GLY A 171 47.027 7.469 -29.159 1.00 13.45 O ATOM 1303 N LYS A 172 48.549 8.063 -27.611 1.00 12.95 N ATOM 1304 CA LYS A 172 48.874 6.698 -27.202 1.00 13.65 C ATOM 1305 C LYS A 172 47.699 6.161 -26.352 1.00 14.22 C ATOM 1306 O LYS A 172 47.127 6.912 -25.562 1.00 13.95 O ATOM 1307 CB LYS A 172 50.143 6.505 -26.404 1.00 13.79 C ATOM 1308 CG LYS A 172 51.507 6.772 -27.041 1.00 13.95 C ATOM 1309 CD LYS A 172 51.759 6.055 -28.358 1.00 15.08 C ATOM 1310 CE LYS A 172 53.213 6.086 -28.795 1.00 15.05 C ATOM 1311 NZ LYS A 172 53.385 5.408 -30.124 1.00 15.85 N ATOM 1312 N ARG A 173 47.399 4.896 -26.504 1.00 14.53 N ATOM 1313 CA ARG A 173 46.329 4.205 -25.803 1.00 15.81 C ATOM 1314 C ARG A 173 46.748 2.758 -25.577 1.00 15.52 C ATOM 1315 O ARG A 173 47.653 2.262 -26.254 1.00 15.69 O ATOM 1316 CB ARG A 173 44.978 4.246 -26.478 1.00 17.81 C ATOM 1317 CG ARG A 173 44.981 4.148 -27.982 1.00 20.42 C ATOM 1318 CD ARG A 173 43.598 3.942 -28.509 1.00 23.63 C ATOM 1319 NE ARG A 173 42.924 5.191 -28.868 1.00 25.67 N ATOM 1320 CZ ARG A 173 41.592 5.250 -29.108 1.00 26.83 C ATOM 1321 NH1 ARG A 173 40.796 4.174 -29.013 1.00 26.86 N ATOM 1322 NH2 ARG A 173 41.063 6.437 -29.469 1.00 26.86 N ATOM 1323 N ALA A 174 46.088 2.169 -24.602 1.00 15.05 N ATOM 1324 CA ALA A 174 46.343 0.787 -24.209 1.00 14.27 C ATOM 1325 C ALA A 174 45.116 0.196 -23.521 1.00 14.02 C ATOM 1326 O ALA A 174 44.327 0.892 -22.884 1.00 12.74 O ATOM 1327 CB ALA A 174 47.488 0.753 -23.156 1.00 14.36 C ATOM 1328 N PRO A 175 45.025 -1.116 -23.659 1.00 14.09 N ATOM 1329 CA PRO A 175 43.951 -1.837 -22.966 1.00 13.40 C ATOM 1330 C PRO A 175 44.233 -1.559 -21.476 1.00 13.33 C ATOM 1331 O PRO A 175 45.381 -1.441 -21.030 1.00 12.82 O ATOM 1332 CB PRO A 175 44.154 -3.271 -23.385 1.00 14.59 C ATOM 1333 CG PRO A 175 45.073 -3.245 -24.589 1.00 14.50 C ATOM 1334 CD PRO A 175 45.958 -2.028 -24.384 1.00 14.24 C ATOM 1335 N PHE A 176 43.193 -1.408 -20.720 1.00 12.62 N ATOM 1336 CA PHE A 176 43.043 -1.138 -19.309 1.00 12.46 C ATOM 1337 C PHE A 176 41.775 -1.935 -18.944 1.00 13.11 C ATOM 1338 O PHE A 176 40.677 -1.475 -19.266 1.00 13.21 O ATOM 1339 CB PHE A 176 43.029 0.351 -18.944 1.00 11.21 C ATOM 1340 CG PHE A 176 43.189 0.562 -17.441 1.00 11.80 C ATOM 1341 CD1 PHE A 176 44.447 0.638 -16.854 1.00 11.52 C ATOM 1342 CD2 PHE A 176 42.053 0.617 -16.623 1.00 11.66 C ATOM 1343 CE1 PHE A 176 44.593 0.790 -15.473 1.00 11.94 C ATOM 1344 CE2 PHE A 176 42.189 0.817 -15.243 1.00 11.67 C ATOM 1345 CZ PHE A 176 43.461 0.853 -14.651 1.00 10.64 C ATOM 1346 N THR A 177 41.941 -3.114 -18.356 1.00 14.26 N ATOM 1347 CA THR A 177 40.845 -4.012 -18.019 1.00 14.99 C ATOM 1348 C THR A 177 40.722 -4.445 -16.582 1.00 14.78 C ATOM 1349 O THR A 177 41.596 -4.268 -15.722 1.00 14.77 O ATOM 1350 CB THR A 177 41.012 -5.361 -18.858 1.00 16.34 C ATOM 1351 OG1 THR A 177 42.146 -6.029 -18.168 1.00 17.18 O ATOM 1352 CG2 THR A 177 41.246 -5.229 -20.342 1.00 16.58 C ATOM 1353 N ASN A 178 39.579 -5.064 -16.311 1.00 15.01 N ATOM 1354 CA ASN A 178 39.231 -5.644 -15.021 1.00 15.38 C ATOM 1355 C ASN A 178 39.531 -4.735 -13.848 1.00 14.67 C ATOM 1356 O ASN A 178 40.311 -5.070 -12.944 1.00 15.14 O ATOM 1357 CB ASN A 178 39.913 -7.022 -14.875 1.00 17.42 C ATOM 1358 CG ASN A 178 39.467 -8.019 -15.913 1.00 19.01 C ATOM 1359 OD1 ASN A 178 38.268 -8.100 -16.275 1.00 20.27 O ATOM 1360 ND2 ASN A 178 40.432 -8.791 -16.466 1.00 20.10 N ATOM 1361 N PHE A 179 38.867 -3.594 -13.855 1.00 13.75 N ATOM 1362 CA PHE A 179 39.011 -2.568 -12.826 1.00 12.36 C ATOM 1363 C PHE A 179 37.679 -1.916 -12.512 1.00 12.14 C ATOM 1364 O PHE A 179 36.874 -1.499 -13.331 1.00 11.15 O ATOM 1365 CB PHE A 179 40.135 -1.612 -13.198 1.00 12.27 C ATOM 1366 CG PHE A 179 40.464 -0.570 -12.169 1.00 12.47 C ATOM 1367 CD1 PHE A 179 41.299 -0.865 -11.089 1.00 12.78 C ATOM 1368 CD2 PHE A 179 39.916 0.708 -12.287 1.00 12.60 C ATOM 1369 CE1 PHE A 179 41.594 0.123 -10.149 1.00 13.02 C ATOM 1370 CE2 PHE A 179 40.171 1.701 -11.340 1.00 12.53 C ATOM 1371 CZ PHE A 179 41.026 1.399 -10.280 1.00 12.78 C ATOM 1372 N ASP A 180 37.473 -1.781 -11.213 1.00 12.89 N ATOM 1373 CA ASP A 180 36.338 -1.202 -10.510 1.00 12.36 C ATOM 1374 C ASP A 180 36.744 0.098 -9.820 1.00 11.26 C ATOM 1375 O ASP A 180 37.305 0.082 -8.736 1.00 10.65 O ATOM 1376 CB ASP A 180 35.836 -2.205 -9.419 1.00 13.17 C ATOM 1377 CG ASP A 180 34.593 -1.617 -8.768 1.00 13.95 C ATOM 1378 OD1 ASP A 180 34.159 -0.524 -9.061 1.00 13.79 O ATOM 1379 OD2 ASP A 180 34.013 -2.263 -7.867 1.00 15.69 O ATOM 1380 N PRO A 181 36.387 1.209 -10.429 1.00 11.35 N ATOM 1381 CA PRO A 181 36.745 2.535 -9.864 1.00 11.26 C ATOM 1382 C PRO A 181 36.092 2.842 -8.548 1.00 11.46 C ATOM 1383 O PRO A 181 36.457 3.838 -7.874 1.00 12.13 O ATOM 1384 CB PRO A 181 36.505 3.480 -11.000 1.00 10.97 C ATOM 1385 CG PRO A 181 35.432 2.828 -11.822 1.00 10.95 C ATOM 1386 CD PRO A 181 35.688 1.317 -11.723 1.00 10.62 C ATOM 1387 N SER A 182 35.147 2.028 -8.107 1.00 11.49 N ATOM 1388 CA SER A 182 34.522 2.238 -6.792 1.00 12.47 C ATOM 1389 C SER A 182 35.621 2.019 -5.734 1.00 12.56 C ATOM 1390 O SER A 182 35.505 2.531 -4.623 1.00 11.71 O ATOM 1391 CB SER A 182 33.288 1.440 -6.516 1.00 12.36 C ATOM 1392 OG SER A 182 33.532 0.082 -6.226 1.00 14.10 O ATOM 1393 N THR A 183 36.679 1.310 -6.081 1.00 13.04 N ATOM 1394 CA THR A 183 37.799 1.056 -5.170 1.00 13.44 C ATOM 1395 C THR A 183 38.517 2.341 -4.787 1.00 13.36 C ATOM 1396 O THR A 183 39.187 2.359 -3.731 1.00 13.57 O ATOM 1397 CB THR A 183 38.803 -0.001 -5.727 1.00 13.98 C ATOM 1398 OG1 THR A 183 39.200 0.461 -7.045 1.00 14.93 O ATOM 1399 CG2 THR A 183 38.177 -1.399 -5.790 1.00 14.66 C ATOM 1400 N LEU A 184 38.359 3.383 -5.576 1.00 12.73 N ATOM 1401 CA LEU A 184 38.989 4.661 -5.323 1.00 12.40 C ATOM 1402 C LEU A 184 38.150 5.599 -4.458 1.00 12.93 C ATOM 1403 O LEU A 184 38.747 6.600 -3.981 1.00 12.71 O ATOM 1404 CB LEU A 184 39.314 5.312 -6.673 1.00 11.96 C ATOM 1405 CG LEU A 184 40.095 4.527 -7.699 1.00 11.56 C ATOM 1406 CD1 LEU A 184 39.989 5.183 -9.081 1.00 11.70 C ATOM 1407 CD2 LEU A 184 41.547 4.428 -7.285 1.00 11.34 C ATOM 1408 N LEU A 185 36.868 5.339 -4.251 1.00 12.54 N ATOM 1409 CA LEU A 185 36.083 6.308 -3.457 1.00 13.51 C ATOM 1410 C LEU A 185 36.262 6.068 -1.958 1.00 14.19 C ATOM 1411 O LEU A 185 36.578 4.946 -1.538 1.00 14.65 O ATOM 1412 CB LEU A 185 34.617 6.277 -3.884 1.00 13.48 C ATOM 1413 CG LEU A 185 34.185 6.127 -5.308 1.00 13.33 C ATOM 1414 CD1 LEU A 185 32.662 5.960 -5.420 1.00 13.48 C ATOM 1415 CD2 LEU A 185 34.581 7.390 -6.071 1.00 13.85 C ATOM 1416 N PRO A 186 36.036 7.143 -1.210 1.00 14.80 N ATOM 1417 CA PRO A 186 36.127 7.051 0.254 1.00 16.22 C ATOM 1418 C PRO A 186 34.950 6.243 0.767 1.00 18.25 C ATOM 1419 O PRO A 186 33.920 6.055 0.048 1.00 18.95 O ATOM 1420 CB PRO A 186 36.057 8.513 0.682 1.00 16.14 C ATOM 1421 CG PRO A 186 35.375 9.246 -0.423 1.00 15.67 C ATOM 1422 CD PRO A 186 35.662 8.464 -1.686 1.00 14.56 C ATOM 1423 N SER A 187 35.042 5.784 1.987 1.00 19.45 N ATOM 1424 CA SER A 187 33.962 5.003 2.621 1.00 21.12 C ATOM 1425 C SER A 187 32.724 5.861 2.842 1.00 21.16 C ATOM 1426 O SER A 187 31.571 5.417 2.661 1.00 21.90 O ATOM 1427 CB SER A 187 34.487 4.372 3.924 1.00 21.85 C ATOM 1428 OG SER A 187 34.950 5.412 4.816 1.00 23.41 O ATOM 1429 N SER A 188 32.930 7.116 3.198 1.00 20.94 N ATOM 1430 CA SER A 188 31.810 8.043 3.462 1.00 20.61 C ATOM 1431 C SER A 188 30.749 8.007 2.386 1.00 19.98 C ATOM 1432 O SER A 188 30.999 7.939 1.174 1.00 19.46 O ATOM 1433 CB SER A 188 32.391 9.445 3.673 1.00 21.16 C ATOM 1434 OG SER A 188 31.322 10.369 3.870 1.00 21.89 O ATOM 1435 N LEU A 189 29.486 8.058 2.807 1.00 20.00 N ATOM 1436 CA LEU A 189 28.367 8.088 1.862 1.00 19.57 C ATOM 1437 C LEU A 189 27.734 9.480 1.789 1.00 18.59 C ATOM 1438 O LEU A 189 26.703 9.614 1.090 1.00 18.15 O ATOM 1439 CB LEU A 189 27.377 6.974 2.175 1.00 21.52 C ATOM 1440 CG LEU A 189 27.548 5.671 1.386 1.00 22.06 C ATOM 1441 CD1 LEU A 189 26.315 4.780 1.557 1.00 22.52 C ATOM 1442 CD2 LEU A 189 27.755 6.007 -0.086 1.00 22.55 C ATOM 1443 N ASP A 190 28.351 10.432 2.471 1.00 16.81 N ATOM 1444 CA ASP A 190 27.885 11.823 2.527 1.00 16.15 C ATOM 1445 C ASP A 190 28.519 12.698 1.451 1.00 14.32 C ATOM 1446 O ASP A 190 29.696 12.537 1.155 1.00 13.91 O ATOM 1447 CB ASP A 190 28.122 12.385 3.934 1.00 17.50 C ATOM 1448 CG ASP A 190 27.216 11.669 4.951 1.00 18.91 C ATOM 1449 OD1 ASP A 190 25.996 11.600 4.769 1.00 19.30 O ATOM 1450 OD2 ASP A 190 27.821 11.197 5.944 1.00 19.71 O ATOM 1451 N PHE A 191 27.756 13.661 0.957 1.00 12.66 N ATOM 1452 CA PHE A 191 28.198 14.525 -0.141 1.00 11.29 C ATOM 1453 C PHE A 191 27.523 15.881 -0.196 1.00 10.18 C ATOM 1454 O PHE A 191 26.570 16.142 0.507 1.00 9.68 O ATOM 1455 CB PHE A 191 27.921 13.781 -1.474 1.00 10.74 C ATOM 1456 CG PHE A 191 26.489 13.346 -1.656 1.00 11.41 C ATOM 1457 CD1 PHE A 191 26.008 12.159 -1.109 1.00 11.22 C ATOM 1458 CD2 PHE A 191 25.630 14.126 -2.449 1.00 11.71 C ATOM 1459 CE1 PHE A 191 24.685 11.773 -1.246 1.00 11.92 C ATOM 1460 CE2 PHE A 191 24.274 13.781 -2.571 1.00 12.20 C ATOM 1461 CZ PHE A 191 23.823 12.566 -2.029 1.00 12.04 C ATOM 1462 N TRP A 192 28.041 16.704 -1.103 1.00 8.85 N ATOM 1463 CA TRP A 192 27.479 18.008 -1.444 1.00 8.78 C ATOM 1464 C TRP A 192 27.050 17.852 -2.924 1.00 8.54 C ATOM 1465 O TRP A 192 27.756 17.060 -3.593 1.00 7.61 O ATOM 1466 CB TRP A 192 28.458 19.153 -1.324 1.00 9.41 C ATOM 1467 CG TRP A 192 28.895 19.457 0.079 1.00 10.47 C ATOM 1468 CD1 TRP A 192 28.160 20.044 1.041 1.00 10.96 C ATOM 1469 CD2 TRP A 192 30.205 19.242 0.630 1.00 10.87 C ATOM 1470 NE1 TRP A 192 28.908 20.202 2.193 1.00 11.52 N ATOM 1471 CE2 TRP A 192 30.173 19.725 1.961 1.00 11.42 C ATOM 1472 CE3 TRP A 192 31.393 18.706 0.133 1.00 10.87 C ATOM 1473 CZ2 TRP A 192 31.266 19.665 2.823 1.00 11.10 C ATOM 1474 CZ3 TRP A 192 32.485 18.637 0.981 1.00 10.80 C ATOM 1475 CH2 TRP A 192 32.428 19.125 2.305 1.00 11.19 C ATOM 1476 N THR A 193 26.007 18.533 -3.334 1.00 7.72 N ATOM 1477 CA THR A 193 25.609 18.444 -4.777 1.00 7.63 C ATOM 1478 C THR A 193 25.246 19.825 -5.283 1.00 7.73 C ATOM 1479 O THR A 193 24.710 20.651 -4.469 1.00 7.93 O ATOM 1480 CB THR A 193 24.465 17.381 -4.947 1.00 7.77 C ATOM 1481 OG1 THR A 193 24.173 17.286 -6.360 1.00 7.14 O ATOM 1482 CG2 THR A 193 23.195 17.724 -4.119 1.00 7.92 C ATOM 1483 N TYR A 194 25.521 20.145 -6.508 1.00 6.97 N ATOM 1484 CA TYR A 194 25.131 21.437 -7.111 1.00 7.30 C ATOM 1485 C TYR A 194 25.127 21.265 -8.638 1.00 7.07 C ATOM 1486 O TYR A 194 25.804 20.380 -9.146 1.00 6.51 O ATOM 1487 CB TYR A 194 25.977 22.643 -6.631 1.00 6.11 C ATOM 1488 CG TYR A 194 27.340 22.662 -7.302 1.00 6.37 C ATOM 1489 CD1 TYR A 194 28.404 21.876 -6.867 1.00 6.28 C ATOM 1490 CD2 TYR A 194 27.527 23.422 -8.477 1.00 5.98 C ATOM 1491 CE1 TYR A 194 29.627 21.834 -7.553 1.00 5.88 C ATOM 1492 CE2 TYR A 194 28.753 23.390 -9.146 1.00 6.10 C ATOM 1493 CZ TYR A 194 29.800 22.591 -8.691 1.00 5.61 C ATOM 1494 OH TYR A 194 30.981 22.672 -9.407 1.00 4.63 O ATOM 1495 N PRO A 195 24.325 22.084 -9.328 1.00 7.55 N ATOM 1496 CA PRO A 195 24.220 22.107 -10.796 1.00 6.77 C ATOM 1497 C PRO A 195 25.384 22.906 -11.372 1.00 6.72 C ATOM 1498 O PRO A 195 25.680 24.032 -10.928 1.00 6.09 O ATOM 1499 CB PRO A 195 22.912 22.877 -11.090 1.00 7.43 C ATOM 1500 CG PRO A 195 22.728 23.743 -9.888 1.00 7.35 C ATOM 1501 CD PRO A 195 23.410 23.067 -8.723 1.00 7.20 C ATOM 1502 N GLY A 196 26.078 22.338 -12.350 1.00 6.85 N ATOM 1503 CA GLY A 196 27.223 23.039 -12.939 1.00 7.38 C ATOM 1504 C GLY A 196 27.613 22.574 -14.325 1.00 7.37 C ATOM 1505 O GLY A 196 26.827 22.079 -15.128 1.00 7.63 O ATOM 1506 N SER A 197 28.927 22.636 -14.593 1.00 7.47 N ATOM 1507 CA SER A 197 29.458 22.296 -15.928 1.00 6.90 C ATOM 1508 C SER A 197 30.727 21.457 -15.919 1.00 7.57 C ATOM 1509 O SER A 197 31.274 21.005 -14.902 1.00 7.91 O ATOM 1510 CB SER A 197 29.819 23.656 -16.573 1.00 6.39 C ATOM 1511 OG SER A 197 31.062 24.219 -16.127 1.00 6.49 O ATOM 1512 N LEU A 198 31.130 21.184 -17.159 1.00 7.35 N ATOM 1513 CA LEU A 198 32.408 20.497 -17.433 1.00 7.22 C ATOM 1514 C LEU A 198 33.421 21.595 -16.984 1.00 7.30 C ATOM 1515 O LEU A 198 33.056 22.786 -17.122 1.00 7.99 O ATOM 1516 CB LEU A 198 32.563 20.223 -18.905 1.00 7.65 C ATOM 1517 CG LEU A 198 31.776 19.152 -19.625 1.00 8.33 C ATOM 1518 CD1 LEU A 198 32.207 19.090 -21.093 1.00 8.27 C ATOM 1519 CD2 LEU A 198 31.999 17.827 -18.908 1.00 8.58 C ATOM 1520 N THR A 199 34.588 21.174 -16.546 1.00 7.13 N ATOM 1521 CA THR A 199 35.599 22.151 -16.103 1.00 7.38 C ATOM 1522 C THR A 199 36.582 22.487 -17.214 1.00 7.66 C ATOM 1523 O THR A 199 37.541 23.218 -17.000 1.00 7.69 O ATOM 1524 CB THR A 199 36.274 21.745 -14.756 1.00 7.26 C ATOM 1525 OG1 THR A 199 37.036 20.522 -14.999 1.00 6.27 O ATOM 1526 CG2 THR A 199 35.228 21.557 -13.621 1.00 6.97 C ATOM 1527 N HIS A 200 36.297 22.001 -18.399 1.00 8.75 N ATOM 1528 CA HIS A 200 37.154 22.341 -19.562 1.00 10.27 C ATOM 1529 C HIS A 200 36.309 22.320 -20.826 1.00 9.85 C ATOM 1530 O HIS A 200 35.261 21.675 -20.879 1.00 10.12 O ATOM 1531 CB HIS A 200 38.414 21.478 -19.658 1.00 11.02 C ATOM 1532 CG HIS A 200 38.139 20.028 -19.876 1.00 12.40 C ATOM 1533 ND1 HIS A 200 37.760 19.485 -21.074 1.00 12.82 N ATOM 1534 CD2 HIS A 200 38.207 18.982 -19.008 1.00 12.70 C ATOM 1535 CE1 HIS A 200 37.580 18.179 -20.938 1.00 13.24 C ATOM 1536 NE2 HIS A 200 37.850 17.866 -19.691 1.00 12.98 N ATOM 1537 N PRO A 201 36.776 23.056 -21.820 1.00 9.94 N ATOM 1538 CA PRO A 201 36.082 23.101 -23.103 1.00 10.52 C ATOM 1539 C PRO A 201 35.648 21.713 -23.492 1.00 10.58 C ATOM 1540 O PRO A 201 36.430 20.718 -23.345 1.00 10.64 O ATOM 1541 CB PRO A 201 37.137 23.707 -24.063 1.00 10.55 C ATOM 1542 CG PRO A 201 38.022 24.514 -23.187 1.00 10.45 C ATOM 1543 CD PRO A 201 38.018 23.850 -21.815 1.00 9.87 C ATOM 1544 N PRO A 202 34.446 21.561 -24.019 1.00 11.79 N ATOM 1545 CA PRO A 202 33.440 22.586 -24.322 1.00 12.19 C ATOM 1546 C PRO A 202 32.728 23.330 -23.212 1.00 13.22 C ATOM 1547 O PRO A 202 31.885 24.269 -23.458 1.00 13.32 O ATOM 1548 CB PRO A 202 32.473 21.845 -25.268 1.00 11.48 C ATOM 1549 CG PRO A 202 32.624 20.396 -24.966 1.00 10.86 C ATOM 1550 CD PRO A 202 34.032 20.200 -24.427 1.00 11.04 C ATOM 1551 N LEU A 203 32.960 22.974 -21.935 1.00 12.52 N ATOM 1552 CA LEU A 203 32.366 23.687 -20.814 1.00 11.74 C ATOM 1553 C LEU A 203 30.852 23.688 -20.810 1.00 11.89 C ATOM 1554 O LEU A 203 30.257 24.703 -20.336 1.00 11.96 O ATOM 1555 CB LEU A 203 32.910 25.143 -20.924 1.00 10.08 C ATOM 1556 CG LEU A 203 34.369 25.441 -20.703 1.00 9.56 C ATOM 1557 CD1 LEU A 203 34.659 26.907 -21.073 1.00 9.36 C ATOM 1558 CD2 LEU A 203 34.732 25.235 -19.211 1.00 8.31 C ATOM 1559 N TYR A 204 30.245 22.648 -21.273 1.00 12.06 N ATOM 1560 CA TYR A 204 28.768 22.501 -21.331 1.00 11.68 C ATOM 1561 C TYR A 204 28.214 22.550 -19.916 1.00 11.40 C ATOM 1562 O TYR A 204 28.836 21.962 -19.051 1.00 10.12 O ATOM 1563 CB TYR A 204 28.359 21.159 -21.966 1.00 12.91 C ATOM 1564 CG TYR A 204 28.637 21.061 -23.451 1.00 13.61 C ATOM 1565 CD1 TYR A 204 28.433 22.164 -24.273 1.00 14.34 C ATOM 1566 CD2 TYR A 204 28.984 19.850 -24.027 1.00 14.80 C ATOM 1567 CE1 TYR A 204 28.657 22.096 -25.644 1.00 15.12 C ATOM 1568 CE2 TYR A 204 29.175 19.725 -25.409 1.00 15.74 C ATOM 1569 CZ TYR A 204 29.022 20.875 -26.186 1.00 15.96 C ATOM 1570 OH TYR A 204 29.236 20.756 -27.538 1.00 18.29 O ATOM 1571 N GLU A 205 27.051 23.186 -19.749 1.00 11.28 N ATOM 1572 CA GLU A 205 26.447 23.290 -18.410 1.00 10.93 C ATOM 1573 C GLU A 205 25.476 22.149 -18.272 1.00 11.08 C ATOM 1574 O GLU A 205 24.264 22.347 -18.228 1.00 11.89 O ATOM 1575 CB GLU A 205 25.763 24.656 -18.221 1.00 11.08 C ATOM 1576 CG GLU A 205 26.793 25.791 -18.081 1.00 10.77 C ATOM 1577 CD GLU A 205 26.357 27.196 -18.008 1.00 10.49 C ATOM 1578 OE1 GLU A 205 25.166 27.384 -18.264 1.00 11.07 O ATOM 1579 OE2 GLU A 205 27.065 28.154 -17.737 1.00 11.06 O ATOM 1580 N SER A 206 26.024 20.915 -18.280 1.00 10.10 N ATOM 1581 CA SER A 206 25.183 19.711 -18.227 1.00 8.65 C ATOM 1582 C SER A 206 25.442 18.726 -17.099 1.00 7.40 C ATOM 1583 O SER A 206 25.028 17.555 -17.225 1.00 6.53 O ATOM 1584 CB SER A 206 25.505 18.919 -19.526 1.00 8.95 C ATOM 1585 OG SER A 206 26.922 18.726 -19.530 1.00 10.06 O ATOM 1586 N VAL A 207 26.152 19.142 -16.097 1.00 6.35 N ATOM 1587 CA VAL A 207 26.604 18.351 -14.993 1.00 5.71 C ATOM 1588 C VAL A 207 25.982 18.630 -13.641 1.00 6.13 C ATOM 1589 O VAL A 207 25.914 19.761 -13.154 1.00 6.54 O ATOM 1590 CB VAL A 207 28.172 18.560 -14.937 1.00 5.46 C ATOM 1591 CG1 VAL A 207 28.749 17.811 -13.731 1.00 5.40 C ATOM 1592 CG2 VAL A 207 28.884 18.187 -16.230 1.00 3.38 C ATOM 1593 N THR A 208 25.533 17.514 -13.020 1.00 6.51 N ATOM 1594 CA THR A 208 25.035 17.513 -11.665 1.00 6.75 C ATOM 1595 C THR A 208 26.215 16.973 -10.825 1.00 6.48 C ATOM 1596 O THR A 208 26.451 15.748 -10.975 1.00 7.88 O ATOM 1597 CB THR A 208 23.742 16.667 -11.398 1.00 7.37 C ATOM 1598 OG1 THR A 208 22.697 17.220 -12.220 1.00 8.59 O ATOM 1599 CG2 THR A 208 23.358 16.645 -9.904 1.00 7.55 C ATOM 1600 N TRP A 209 26.880 17.786 -10.056 1.00 6.11 N ATOM 1601 CA TRP A 209 28.033 17.405 -9.227 1.00 6.04 C ATOM 1602 C TRP A 209 27.709 16.740 -7.906 1.00 6.71 C ATOM 1603 O TRP A 209 26.764 17.094 -7.210 1.00 7.17 O ATOM 1604 CB TRP A 209 28.963 18.619 -8.952 1.00 4.76 C ATOM 1605 CG TRP A 209 29.735 19.031 -10.159 1.00 4.94 C ATOM 1606 CD1 TRP A 209 29.335 19.968 -11.112 1.00 4.65 C ATOM 1607 CD2 TRP A 209 30.985 18.495 -10.613 1.00 4.72 C ATOM 1608 NE1 TRP A 209 30.310 20.052 -12.085 1.00 4.77 N ATOM 1609 CE2 TRP A 209 31.295 19.139 -11.838 1.00 4.91 C ATOM 1610 CE3 TRP A 209 31.833 17.517 -10.122 1.00 5.29 C ATOM 1611 CZ2 TRP A 209 32.450 18.852 -12.547 1.00 4.72 C ATOM 1612 CZ3 TRP A 209 33.009 17.215 -10.832 1.00 4.95 C ATOM 1613 CH2 TRP A 209 33.304 17.911 -12.006 1.00 4.63 C ATOM 1614 N ILE A 210 28.489 15.705 -7.597 1.00 7.58 N ATOM 1615 CA ILE A 210 28.426 14.960 -6.349 1.00 7.99 C ATOM 1616 C ILE A 210 29.857 15.053 -5.742 1.00 8.59 C ATOM 1617 O ILE A 210 30.685 14.342 -6.308 1.00 8.78 O ATOM 1618 CB ILE A 210 28.079 13.464 -6.497 1.00 8.36 C ATOM 1619 CG1 ILE A 210 26.777 13.263 -7.305 1.00 8.98 C ATOM 1620 CG2 ILE A 210 28.072 12.785 -5.093 1.00 8.04 C ATOM 1621 CD1 ILE A 210 25.507 13.757 -6.576 1.00 8.56 C ATOM 1622 N ILE A 211 30.056 15.899 -4.766 1.00 8.62 N ATOM 1623 CA ILE A 211 31.365 16.086 -4.147 1.00 8.77 C ATOM 1624 C ILE A 211 31.392 15.320 -2.831 1.00 9.48 C ATOM 1625 O ILE A 211 30.581 15.568 -1.950 1.00 9.09 O ATOM 1626 CB ILE A 211 31.728 17.581 -3.907 1.00 8.76 C ATOM 1627 CG1 ILE A 211 31.548 18.449 -5.169 1.00 9.28 C ATOM 1628 CG2 ILE A 211 33.172 17.729 -3.329 1.00 9.19 C ATOM 1629 CD1 ILE A 211 32.187 17.861 -6.444 1.00 8.50 C ATOM 1630 N CYS A 212 32.267 14.353 -2.713 1.00 10.94 N ATOM 1631 CA CYS A 212 32.402 13.561 -1.480 1.00 11.89 C ATOM 1632 C CYS A 212 32.777 14.476 -0.327 1.00 12.00 C ATOM 1633 O CYS A 212 33.554 15.426 -0.507 1.00 11.50 O ATOM 1634 CB CYS A 212 33.459 12.488 -1.693 1.00 13.11 C ATOM 1635 SG CYS A 212 33.068 11.262 -2.922 1.00 16.47 S ATOM 1636 N LYS A 213 32.248 14.153 0.851 1.00 11.80 N ATOM 1637 CA LYS A 213 32.527 14.932 2.060 1.00 13.11 C ATOM 1638 C LYS A 213 33.944 14.589 2.539 1.00 13.54 C ATOM 1639 O LYS A 213 34.679 15.492 2.949 1.00 13.99 O ATOM 1640 CB LYS A 213 31.478 14.691 3.108 1.00 13.97 C ATOM 1641 CG LYS A 213 31.641 15.339 4.460 1.00 15.88 C ATOM 1642 CD LYS A 213 30.805 14.604 5.534 1.00 17.26 C ATOM 1643 CE LYS A 213 31.754 13.952 6.553 1.00 18.14 C ATOM 1644 NZ LYS A 213 32.428 15.089 7.280 1.00 18.66 N ATOM 1645 N GLU A 214 34.366 13.368 2.394 1.00 14.08 N ATOM 1646 CA GLU A 214 35.655 12.761 2.733 1.00 14.68 C ATOM 1647 C GLU A 214 36.657 12.803 1.568 1.00 13.81 C ATOM 1648 O GLU A 214 36.280 12.666 0.377 1.00 13.87 O ATOM 1649 CB GLU A 214 35.424 11.290 3.104 1.00 16.50 C ATOM 1650 CG GLU A 214 36.518 10.475 3.740 1.00 19.67 C ATOM 1651 CD GLU A 214 36.425 8.997 3.920 1.00 21.62 C ATOM 1652 OE1 GLU A 214 35.377 8.557 4.459 1.00 22.04 O ATOM 1653 OE2 GLU A 214 37.337 8.215 3.581 1.00 23.20 O ATOM 1654 N SER A 215 37.914 13.013 1.867 1.00 13.02 N ATOM 1655 CA SER A 215 38.997 13.096 0.838 1.00 12.72 C ATOM 1656 C SER A 215 39.802 11.815 0.837 1.00 11.87 C ATOM 1657 O SER A 215 39.614 11.015 1.803 1.00 11.73 O ATOM 1658 CB SER A 215 39.813 14.336 1.076 1.00 13.65 C ATOM 1659 OG SER A 215 40.680 14.237 2.204 1.00 15.23 O ATOM 1660 N ILE A 216 40.602 11.542 -0.158 1.00 10.63 N ATOM 1661 CA ILE A 216 41.476 10.337 -0.215 1.00 10.22 C ATOM 1662 C ILE A 216 42.915 10.845 -0.198 1.00 10.68 C ATOM 1663 O ILE A 216 43.093 12.078 -0.424 1.00 10.80 O ATOM 1664 CB ILE A 216 41.179 9.340 -1.386 1.00 8.86 C ATOM 1665 CG1 ILE A 216 41.420 10.040 -2.746 1.00 8.49 C ATOM 1666 CG2 ILE A 216 39.770 8.692 -1.319 1.00 8.68 C ATOM 1667 CD1 ILE A 216 41.488 9.063 -3.953 1.00 7.89 C ATOM 1668 N SER A 217 43.913 10.030 0.106 1.00 11.26 N ATOM 1669 CA SER A 217 45.310 10.526 0.099 1.00 12.08 C ATOM 1670 C SER A 217 45.970 10.159 -1.240 1.00 11.95 C ATOM 1671 O SER A 217 45.362 9.454 -2.083 1.00 11.41 O ATOM 1672 CB SER A 217 46.189 10.060 1.248 1.00 13.32 C ATOM 1673 OG SER A 217 45.903 8.739 1.664 1.00 14.95 O ATOM 1674 N VAL A 218 47.174 10.668 -1.360 1.00 10.42 N ATOM 1675 CA VAL A 218 48.074 10.538 -2.502 1.00 10.48 C ATOM 1676 C VAL A 218 49.462 11.021 -2.033 1.00 11.28 C ATOM 1677 O VAL A 218 49.479 11.958 -1.186 1.00 12.24 O ATOM 1678 CB VAL A 218 47.580 11.341 -3.707 1.00 9.54 C ATOM 1679 CG1 VAL A 218 47.518 12.863 -3.486 1.00 9.43 C ATOM 1680 CG2 VAL A 218 48.385 11.049 -4.981 1.00 9.03 C ATOM 1681 N SER A 219 50.568 10.446 -2.468 1.00 11.66 N ATOM 1682 CA SER A 219 51.856 11.040 -1.968 1.00 11.58 C ATOM 1683 C SER A 219 52.365 11.988 -3.036 1.00 11.28 C ATOM 1684 O SER A 219 51.863 11.941 -4.155 1.00 10.93 O ATOM 1685 CB SER A 219 52.893 9.994 -1.639 1.00 11.61 C ATOM 1686 OG SER A 219 53.186 9.222 -2.769 1.00 11.39 O ATOM 1687 N SER A 220 53.381 12.781 -2.736 1.00 11.50 N ATOM 1688 CA SER A 220 53.966 13.695 -3.712 1.00 12.01 C ATOM 1689 C SER A 220 54.601 12.904 -4.853 1.00 12.30 C ATOM 1690 O SER A 220 54.585 13.374 -6.003 1.00 12.32 O ATOM 1691 CB SER A 220 54.967 14.615 -3.015 1.00 12.55 C ATOM 1692 OG SER A 220 55.948 13.759 -2.392 1.00 14.38 O ATOM 1693 N GLU A 221 55.115 11.694 -4.583 1.00 12.45 N ATOM 1694 CA GLU A 221 55.714 10.887 -5.632 1.00 13.31 C ATOM 1695 C GLU A 221 54.696 10.301 -6.588 1.00 11.73 C ATOM 1696 O GLU A 221 55.064 10.074 -7.754 1.00 11.79 O ATOM 1697 CB GLU A 221 56.697 9.822 -5.196 1.00 16.57 C ATOM 1698 CG GLU A 221 58.023 10.286 -4.587 1.00 19.76 C ATOM 1699 CD GLU A 221 59.001 11.131 -5.303 1.00 22.21 C ATOM 1700 OE1 GLU A 221 58.815 11.384 -6.528 1.00 23.68 O ATOM 1701 OE2 GLU A 221 60.036 11.615 -4.777 1.00 23.78 O ATOM 1702 N GLN A 222 53.480 10.086 -6.164 1.00 10.28 N ATOM 1703 CA GLN A 222 52.418 9.586 -7.070 1.00 9.15 C ATOM 1704 C GLN A 222 52.022 10.737 -7.998 1.00 8.60 C ATOM 1705 O GLN A 222 51.818 10.513 -9.201 1.00 7.99 O ATOM 1706 CB GLN A 222 51.230 9.033 -6.276 1.00 9.06 C ATOM 1707 CG GLN A 222 51.509 7.737 -5.552 1.00 8.64 C ATOM 1708 CD GLN A 222 50.402 7.178 -4.703 1.00 8.09 C ATOM 1709 OE1 GLN A 222 49.768 7.824 -3.916 1.00 8.37 O ATOM 1710 NE2 GLN A 222 50.188 5.857 -4.756 1.00 7.72 N ATOM 1711 N LEU A 223 51.942 11.951 -7.472 1.00 8.48 N ATOM 1712 CA LEU A 223 51.570 13.156 -8.211 1.00 9.69 C ATOM 1713 C LEU A 223 52.604 13.539 -9.255 1.00 9.97 C ATOM 1714 O LEU A 223 52.286 14.064 -10.332 1.00 10.19 O ATOM 1715 CB LEU A 223 51.220 14.313 -7.262 1.00 10.07 C ATOM 1716 CG LEU A 223 49.935 14.258 -6.452 1.00 10.42 C ATOM 1717 CD1 LEU A 223 49.815 15.441 -5.486 1.00 10.16 C ATOM 1718 CD2 LEU A 223 48.737 14.271 -7.408 1.00 10.28 C ATOM 1719 N ALA A 224 53.864 13.287 -8.939 1.00 10.59 N ATOM 1720 CA ALA A 224 54.985 13.585 -9.837 1.00 10.25 C ATOM 1721 C ALA A 224 54.881 12.744 -11.099 1.00 10.62 C ATOM 1722 O ALA A 224 55.276 13.176 -12.185 1.00 10.78 O ATOM 1723 CB ALA A 224 56.271 13.395 -9.012 1.00 10.50 C ATOM 1724 N GLN A 225 54.332 11.547 -10.978 1.00 11.03 N ATOM 1725 CA GLN A 225 54.080 10.598 -12.037 1.00 11.20 C ATOM 1726 C GLN A 225 53.045 11.151 -13.022 1.00 10.86 C ATOM 1727 O GLN A 225 53.280 11.054 -14.243 1.00 9.91 O ATOM 1728 CB GLN A 225 53.664 9.211 -11.536 1.00 13.07 C ATOM 1729 CG GLN A 225 54.842 8.364 -11.072 1.00 15.15 C ATOM 1730 CD GLN A 225 54.475 6.986 -10.611 1.00 16.29 C ATOM 1731 OE1 GLN A 225 54.248 6.688 -9.436 1.00 17.59 O ATOM 1732 NE2 GLN A 225 54.394 6.057 -11.543 1.00 17.02 N ATOM 1733 N PHE A 226 51.947 11.725 -12.543 1.00 9.67 N ATOM 1734 CA PHE A 226 50.966 12.331 -13.457 1.00 10.38 C ATOM 1735 C PHE A 226 51.678 13.439 -14.268 1.00 10.97 C ATOM 1736 O PHE A 226 51.536 13.662 -15.497 1.00 10.47 O ATOM 1737 CB PHE A 226 49.766 12.949 -12.711 1.00 10.53 C ATOM 1738 CG PHE A 226 48.848 12.069 -11.923 1.00 10.01 C ATOM 1739 CD1 PHE A 226 48.757 10.705 -12.207 1.00 9.93 C ATOM 1740 CD2 PHE A 226 48.064 12.585 -10.902 1.00 10.24 C ATOM 1741 CE1 PHE A 226 47.889 9.853 -11.507 1.00 9.71 C ATOM 1742 CE2 PHE A 226 47.236 11.740 -10.135 1.00 9.95 C ATOM 1743 CZ PHE A 226 47.149 10.375 -10.459 1.00 9.53 C ATOM 1744 N ARG A 227 52.415 14.208 -13.490 1.00 10.72 N ATOM 1745 CA ARG A 227 53.173 15.356 -13.979 1.00 12.05 C ATOM 1746 C ARG A 227 54.242 15.017 -15.003 1.00 12.85 C ATOM 1747 O ARG A 227 54.662 15.923 -15.760 1.00 13.19 O ATOM 1748 CB ARG A 227 53.736 16.234 -12.879 1.00 12.09 C ATOM 1749 CG ARG A 227 52.968 17.437 -12.431 1.00 11.68 C ATOM 1750 CD ARG A 227 53.720 18.264 -11.443 1.00 11.93 C ATOM 1751 NE ARG A 227 52.847 18.576 -10.317 1.00 12.53 N ATOM 1752 CZ ARG A 227 52.995 18.071 -9.110 1.00 12.72 C ATOM 1753 NH1 ARG A 227 54.077 17.349 -8.832 1.00 14.06 N ATOM 1754 NH2 ARG A 227 52.127 18.284 -8.150 1.00 12.90 N ATOM 1755 N SER A 228 54.634 13.778 -15.112 1.00 13.65 N ATOM 1756 CA SER A 228 55.638 13.302 -16.033 1.00 14.29 C ATOM 1757 C SER A 228 55.106 12.915 -17.405 1.00 14.40 C ATOM 1758 O SER A 228 55.972 12.715 -18.303 1.00 15.20 O ATOM 1759 CB SER A 228 56.397 12.094 -15.425 1.00 15.26 C ATOM 1760 OG SER A 228 57.027 12.587 -14.234 1.00 16.86 O ATOM 1761 N LEU A 229 53.808 12.719 -17.544 1.00 13.38 N ATOM 1762 CA LEU A 229 53.267 12.358 -18.895 1.00 12.00 C ATOM 1763 C LEU A 229 53.598 13.570 -19.768 1.00 10.96 C ATOM 1764 O LEU A 229 53.784 14.633 -19.184 1.00 10.76 O ATOM 1765 CB LEU A 229 51.781 12.089 -18.761 1.00 11.63 C ATOM 1766 CG LEU A 229 51.316 10.810 -18.088 1.00 12.07 C ATOM 1767 CD1 LEU A 229 49.825 10.934 -17.758 1.00 11.79 C ATOM 1768 CD2 LEU A 229 51.473 9.667 -19.082 1.00 12.36 C ATOM 1769 N LEU A 230 53.638 13.399 -21.051 1.00 11.10 N ATOM 1770 CA LEU A 230 53.962 14.419 -22.056 1.00 10.25 C ATOM 1771 C LEU A 230 52.735 14.811 -22.860 1.00 10.40 C ATOM 1772 O LEU A 230 51.956 13.894 -23.165 1.00 10.65 O ATOM 1773 CB LEU A 230 55.094 13.846 -22.955 1.00 9.00 C ATOM 1774 CG LEU A 230 56.411 13.492 -22.262 1.00 9.00 C ATOM 1775 CD1 LEU A 230 57.452 12.941 -23.217 1.00 8.42 C ATOM 1776 CD2 LEU A 230 56.970 14.757 -21.587 1.00 7.67 C ATOM 1777 N SER A 231 52.586 16.042 -23.264 1.00 10.95 N ATOM 1778 CA SER A 231 51.504 16.625 -24.034 1.00 11.17 C ATOM 1779 C SER A 231 51.730 16.601 -25.555 1.00 11.20 C ATOM 1780 O SER A 231 50.796 16.784 -26.368 1.00 10.52 O ATOM 1781 CB SER A 231 51.424 18.129 -23.681 1.00 12.48 C ATOM 1782 OG SER A 231 51.003 18.226 -22.322 1.00 14.91 O ATOM 1783 N ASN A 232 52.978 16.413 -25.895 1.00 10.56 N ATOM 1784 CA ASN A 232 53.501 16.374 -27.265 1.00 10.65 C ATOM 1785 C ASN A 232 53.297 14.979 -27.871 1.00 10.91 C ATOM 1786 O ASN A 232 53.093 14.052 -27.092 1.00 10.93 O ATOM 1787 CB ASN A 232 55.002 16.761 -27.212 1.00 9.22 C ATOM 1788 CG ASN A 232 55.879 15.848 -26.421 1.00 9.35 C ATOM 1789 OD1 ASN A 232 56.015 15.987 -25.187 1.00 9.93 O ATOM 1790 ND2 ASN A 232 56.583 14.857 -26.974 1.00 9.41 N ATOM 1791 N VAL A 233 53.339 14.881 -29.192 1.00 11.60 N ATOM 1792 CA VAL A 233 53.261 13.597 -29.870 1.00 13.51 C ATOM 1793 C VAL A 233 54.710 13.039 -29.872 1.00 14.59 C ATOM 1794 O VAL A 233 55.665 13.830 -29.780 1.00 14.72 O ATOM 1795 CB VAL A 233 52.588 13.626 -31.230 1.00 14.05 C ATOM 1796 CG1 VAL A 233 51.305 14.471 -31.241 1.00 13.76 C ATOM 1797 CG2 VAL A 233 53.461 14.014 -32.393 1.00 14.51 C ATOM 1798 N GLU A 234 54.833 11.747 -29.914 1.00 15.82 N ATOM 1799 CA GLU A 234 56.058 10.977 -29.951 1.00 17.29 C ATOM 1800 C GLU A 234 56.989 11.490 -31.064 1.00 17.24 C ATOM 1801 O GLU A 234 56.543 11.718 -32.200 1.00 16.65 O ATOM 1802 CB GLU A 234 55.811 9.502 -30.305 1.00 19.08 C ATOM 1803 CG GLU A 234 56.978 8.521 -30.059 1.00 20.97 C ATOM 1804 CD GLU A 234 56.585 7.098 -30.272 1.00 22.64 C ATOM 1805 OE1 GLU A 234 55.923 6.959 -31.329 1.00 23.80 O ATOM 1806 OE2 GLU A 234 56.813 6.161 -29.519 1.00 23.70 O ATOM 1807 N GLY A 235 58.245 11.634 -30.695 1.00 17.20 N ATOM 1808 CA GLY A 235 59.281 12.128 -31.606 1.00 16.64 C ATOM 1809 C GLY A 235 59.591 13.608 -31.433 1.00 16.26 C ATOM 1810 O GLY A 235 60.723 14.037 -31.727 1.00 16.22 O ATOM 1811 N ASP A 236 58.626 14.376 -30.984 1.00 15.99 N ATOM 1812 CA ASP A 236 58.791 15.841 -30.811 1.00 15.15 C ATOM 1813 C ASP A 236 59.488 16.138 -29.485 1.00 13.73 C ATOM 1814 O ASP A 236 59.835 15.186 -28.793 1.00 13.42 O ATOM 1815 CB ASP A 236 57.416 16.487 -30.872 1.00 16.05 C ATOM 1816 CG ASP A 236 56.882 16.708 -32.262 1.00 17.15 C ATOM 1817 OD1 ASP A 236 57.505 16.174 -33.204 1.00 17.18 O ATOM 1818 OD2 ASP A 236 55.850 17.405 -32.358 1.00 17.91 O ATOM 1819 N ASN A 237 59.638 17.431 -29.206 1.00 12.72 N ATOM 1820 CA ASN A 237 60.282 17.894 -27.958 1.00 12.06 C ATOM 1821 C ASN A 237 59.340 17.769 -26.777 1.00 12.34 C ATOM 1822 O ASN A 237 58.132 18.017 -26.912 1.00 12.43 O ATOM 1823 CB ASN A 237 60.864 19.284 -28.167 1.00 11.35 C ATOM 1824 CG ASN A 237 59.856 20.319 -28.568 1.00 10.34 C ATOM 1825 OD1 ASN A 237 59.304 20.196 -29.651 1.00 10.06 O ATOM 1826 ND2 ASN A 237 59.636 21.304 -27.715 1.00 9.90 N ATOM 1827 N ALA A 238 59.874 17.372 -25.642 1.00 12.56 N ATOM 1828 CA ALA A 238 59.158 17.121 -24.413 1.00 13.22 C ATOM 1829 C ALA A 238 58.488 18.321 -23.838 1.00 13.68 C ATOM 1830 O ALA A 238 59.165 19.320 -23.622 1.00 14.30 O ATOM 1831 CB ALA A 238 60.059 16.447 -23.364 1.00 13.96 C ATOM 1832 N VAL A 239 57.177 18.210 -23.585 1.00 13.38 N ATOM 1833 CA VAL A 239 56.383 19.273 -22.938 1.00 12.52 C ATOM 1834 C VAL A 239 55.513 18.537 -21.881 1.00 12.64 C ATOM 1835 O VAL A 239 54.553 17.867 -22.322 1.00 12.39 O ATOM 1836 CB VAL A 239 55.481 20.011 -23.922 1.00 12.33 C ATOM 1837 CG1 VAL A 239 54.546 20.938 -23.133 1.00 12.56 C ATOM 1838 CG2 VAL A 239 56.150 20.804 -25.039 1.00 12.76 C ATOM 1839 N PRO A 240 55.858 18.620 -20.630 1.00 12.05 N ATOM 1840 CA PRO A 240 55.094 17.929 -19.590 1.00 11.89 C ATOM 1841 C PRO A 240 53.728 18.544 -19.312 1.00 10.79 C ATOM 1842 O PRO A 240 53.443 19.705 -19.600 1.00 10.38 O ATOM 1843 CB PRO A 240 55.991 17.820 -18.368 1.00 11.57 C ATOM 1844 CG PRO A 240 57.288 18.437 -18.779 1.00 11.93 C ATOM 1845 CD PRO A 240 56.995 19.325 -20.014 1.00 11.61 C ATOM 1846 N MET A 241 52.953 17.646 -18.728 1.00 10.55 N ATOM 1847 CA MET A 241 51.554 17.821 -18.304 1.00 11.69 C ATOM 1848 C MET A 241 51.624 18.306 -16.837 1.00 12.00 C ATOM 1849 O MET A 241 51.273 17.593 -15.900 1.00 11.82 O ATOM 1850 CB MET A 241 50.856 16.468 -18.430 1.00 11.79 C ATOM 1851 CG MET A 241 49.487 16.534 -19.010 1.00 11.71 C ATOM 1852 SD MET A 241 48.867 14.810 -19.175 1.00 12.08 S ATOM 1853 CE MET A 241 49.039 14.603 -20.935 1.00 11.35 C ATOM 1854 N GLN A 242 52.084 19.515 -16.762 1.00 12.46 N ATOM 1855 CA GLN A 242 52.367 20.293 -15.588 1.00 14.25 C ATOM 1856 C GLN A 242 51.163 20.599 -14.724 1.00 12.90 C ATOM 1857 O GLN A 242 51.224 20.436 -13.487 1.00 12.67 O ATOM 1858 CB GLN A 242 53.196 21.542 -15.968 1.00 16.24 C ATOM 1859 CG GLN A 242 53.713 22.231 -14.715 1.00 19.79 C ATOM 1860 CD GLN A 242 54.523 23.480 -14.949 1.00 21.70 C ATOM 1861 OE1 GLN A 242 55.717 23.533 -14.575 1.00 23.18 O ATOM 1862 NE2 GLN A 242 53.901 24.523 -15.518 1.00 22.26 N ATOM 1863 N HIS A 243 50.069 20.965 -15.362 1.00 12.13 N ATOM 1864 CA HIS A 243 48.841 21.298 -14.635 1.00 11.74 C ATOM 1865 C HIS A 243 47.632 21.326 -15.551 1.00 10.47 C ATOM 1866 O HIS A 243 47.684 21.461 -16.785 1.00 9.21 O ATOM 1867 CB HIS A 243 48.967 22.624 -13.826 1.00 12.73 C ATOM 1868 CG HIS A 243 49.360 23.736 -14.739 1.00 13.83 C ATOM 1869 ND1 HIS A 243 48.751 24.930 -14.855 1.00 15.31 N ATOM 1870 CD2 HIS A 243 50.341 23.754 -15.678 1.00 14.69 C ATOM 1871 CE1 HIS A 243 49.358 25.662 -15.790 1.00 15.10 C ATOM 1872 NE2 HIS A 243 50.323 24.975 -16.301 1.00 14.71 N ATOM 1873 N ASN A 244 46.463 21.113 -14.860 1.00 9.71 N ATOM 1874 CA ASN A 244 45.210 21.103 -15.636 1.00 8.62 C ATOM 1875 C ASN A 244 44.014 21.411 -14.750 1.00 8.36 C ATOM 1876 O ASN A 244 42.999 20.719 -14.914 1.00 8.72 O ATOM 1877 CB ASN A 244 45.027 19.785 -16.403 1.00 7.71 C ATOM 1878 CG ASN A 244 45.102 18.547 -15.560 1.00 7.88 C ATOM 1879 OD1 ASN A 244 44.929 18.553 -14.333 1.00 8.98 O ATOM 1880 ND2 ASN A 244 45.386 17.409 -16.150 1.00 7.79 N ATOM 1881 N ASN A 245 44.148 22.355 -13.859 1.00 8.19 N ATOM 1882 CA ASN A 245 43.004 22.695 -12.978 1.00 8.30 C ATOM 1883 C ASN A 245 42.510 24.110 -13.357 1.00 8.75 C ATOM 1884 O ASN A 245 43.282 25.028 -13.657 1.00 7.91 O ATOM 1885 CB ASN A 245 43.385 22.514 -11.525 1.00 8.64 C ATOM 1886 CG ASN A 245 44.417 23.529 -11.053 1.00 9.13 C ATOM 1887 OD1 ASN A 245 44.048 24.622 -10.583 1.00 10.81 O ATOM 1888 ND2 ASN A 245 45.681 23.253 -11.176 1.00 7.70 N ATOM 1889 N ARG A 246 41.190 24.257 -13.355 1.00 8.58 N ATOM 1890 CA ARG A 246 40.580 25.546 -13.649 1.00 9.08 C ATOM 1891 C ARG A 246 40.231 26.250 -12.341 1.00 9.36 C ATOM 1892 O ARG A 246 39.833 25.631 -11.340 1.00 8.77 O ATOM 1893 CB ARG A 246 39.351 25.417 -14.550 1.00 8.94 C ATOM 1894 CG ARG A 246 38.673 26.724 -14.924 1.00 8.31 C ATOM 1895 CD ARG A 246 37.214 26.559 -15.207 1.00 7.85 C ATOM 1896 NE ARG A 246 36.668 27.680 -15.979 1.00 9.04 N ATOM 1897 CZ ARG A 246 35.396 27.714 -16.421 1.00 9.90 C ATOM 1898 NH1 ARG A 246 34.553 26.708 -16.128 1.00 9.98 N ATOM 1899 NH2 ARG A 246 34.969 28.701 -17.215 1.00 9.40 N ATOM 1900 N PRO A 247 40.459 27.558 -12.308 1.00 10.57 N ATOM 1901 CA PRO A 247 40.113 28.379 -11.141 1.00 10.94 C ATOM 1902 C PRO A 247 38.622 28.290 -10.850 1.00 10.59 C ATOM 1903 O PRO A 247 37.787 28.047 -11.760 1.00 11.02 O ATOM 1904 CB PRO A 247 40.544 29.801 -11.517 1.00 11.30 C ATOM 1905 CG PRO A 247 41.218 29.742 -12.837 1.00 11.32 C ATOM 1906 CD PRO A 247 40.996 28.366 -13.426 1.00 11.41 C ATOM 1907 N THR A 248 38.222 28.522 -9.614 1.00 11.39 N ATOM 1908 CA THR A 248 36.789 28.495 -9.234 1.00 12.05 C ATOM 1909 C THR A 248 36.062 29.686 -9.885 1.00 12.31 C ATOM 1910 O THR A 248 36.630 30.752 -10.161 1.00 11.51 O ATOM 1911 CB THR A 248 36.480 28.409 -7.696 1.00 12.34 C ATOM 1912 OG1 THR A 248 37.067 29.605 -7.067 1.00 12.42 O ATOM 1913 CG2 THR A 248 36.959 27.139 -6.998 1.00 11.90 C ATOM 1914 N GLN A 249 34.791 29.429 -10.132 1.00 12.50 N ATOM 1915 CA GLN A 249 33.879 30.373 -10.785 1.00 12.12 C ATOM 1916 C GLN A 249 32.759 30.766 -9.851 1.00 12.74 C ATOM 1917 O GLN A 249 32.344 30.011 -8.970 1.00 12.74 O ATOM 1918 CB GLN A 249 33.287 29.776 -12.074 1.00 11.75 C ATOM 1919 CG GLN A 249 34.343 29.154 -12.968 1.00 11.55 C ATOM 1920 CD GLN A 249 35.192 30.188 -13.617 1.00 12.24 C ATOM 1921 OE1 GLN A 249 34.636 31.096 -14.231 1.00 13.09 O ATOM 1922 NE2 GLN A 249 36.503 30.075 -13.551 1.00 12.09 N ATOM 1923 N PRO A 250 32.283 31.999 -10.056 1.00 13.42 N ATOM 1924 CA PRO A 250 31.188 32.520 -9.223 1.00 13.60 C ATOM 1925 C PRO A 250 29.983 31.603 -9.257 1.00 14.19 C ATOM 1926 O PRO A 250 29.603 30.998 -10.292 1.00 15.11 O ATOM 1927 CB PRO A 250 30.938 33.913 -9.767 1.00 13.24 C ATOM 1928 CG PRO A 250 31.559 33.952 -11.117 1.00 12.97 C ATOM 1929 CD PRO A 250 32.694 32.938 -11.093 1.00 12.63 C ATOM 1930 N LEU A 251 29.336 31.527 -8.110 1.00 14.57 N ATOM 1931 CA LEU A 251 28.130 30.714 -7.870 1.00 15.03 C ATOM 1932 C LEU A 251 26.913 31.265 -8.567 1.00 15.38 C ATOM 1933 O LEU A 251 25.992 30.548 -8.965 1.00 14.55 O ATOM 1934 CB LEU A 251 28.001 30.670 -6.339 1.00 15.41 C ATOM 1935 CG LEU A 251 27.404 29.492 -5.639 1.00 16.31 C ATOM 1936 CD1 LEU A 251 27.918 28.181 -6.221 1.00 15.89 C ATOM 1937 CD2 LEU A 251 27.788 29.585 -4.151 1.00 16.58 C ATOM 1938 N LYS A 252 26.887 32.601 -8.720 1.00 16.15 N ATOM 1939 CA LYS A 252 25.772 33.291 -9.350 1.00 16.80 C ATOM 1940 C LYS A 252 24.409 32.792 -8.907 1.00 16.60 C ATOM 1941 O LYS A 252 23.566 32.522 -9.799 1.00 17.30 O ATOM 1942 CB LYS A 252 25.776 33.303 -10.891 1.00 17.18 C ATOM 1943 CG LYS A 252 27.124 33.806 -11.392 1.00 18.35 C ATOM 1944 CD LYS A 252 27.068 34.615 -12.641 1.00 19.84 C ATOM 1945 CE LYS A 252 28.372 34.614 -13.426 1.00 20.62 C ATOM 1946 NZ LYS A 252 28.278 35.589 -14.546 1.00 21.53 N ATOM 1947 N GLY A 253 24.227 32.639 -7.612 1.00 16.35 N ATOM 1948 CA GLY A 253 22.967 32.263 -7.028 1.00 15.99 C ATOM 1949 C GLY A 253 22.590 30.816 -6.871 1.00 15.67 C ATOM 1950 O GLY A 253 21.440 30.624 -6.397 1.00 15.33 O ATOM 1951 N ARG A 254 23.483 29.880 -7.198 1.00 14.18 N ATOM 1952 CA ARG A 254 23.154 28.439 -7.056 1.00 13.04 C ATOM 1953 C ARG A 254 23.219 28.079 -5.593 1.00 13.17 C ATOM 1954 O ARG A 254 23.784 28.841 -4.804 1.00 13.15 O ATOM 1955 CB ARG A 254 24.098 27.566 -7.892 1.00 12.15 C ATOM 1956 CG ARG A 254 23.999 27.804 -9.395 1.00 9.97 C ATOM 1957 CD ARG A 254 25.161 27.158 -10.104 1.00 8.76 C ATOM 1958 NE ARG A 254 26.332 28.054 -10.015 1.00 7.46 N ATOM 1959 CZ ARG A 254 27.502 27.635 -10.531 1.00 6.72 C ATOM 1960 NH1 ARG A 254 27.563 26.360 -10.978 1.00 6.32 N ATOM 1961 NH2 ARG A 254 28.502 28.485 -10.669 1.00 5.28 N ATOM 1962 N THR A 255 22.599 26.961 -5.235 1.00 13.47 N ATOM 1963 CA THR A 255 22.589 26.505 -3.836 1.00 13.41 C ATOM 1964 C THR A 255 23.377 25.210 -3.775 1.00 13.02 C ATOM 1965 O THR A 255 23.151 24.423 -4.696 1.00 13.49 O ATOM 1966 CB THR A 255 21.073 26.202 -3.436 1.00 13.93 C ATOM 1967 OG1 THR A 255 20.449 27.503 -3.554 1.00 14.59 O ATOM 1968 CG2 THR A 255 20.870 25.508 -2.105 1.00 13.90 C ATOM 1969 N VAL A 256 24.265 25.049 -2.825 1.00 13.16 N ATOM 1970 CA VAL A 256 25.007 23.782 -2.682 1.00 12.83 C ATOM 1971 C VAL A 256 24.216 23.046 -1.586 1.00 13.10 C ATOM 1972 O VAL A 256 24.113 23.663 -0.523 1.00 14.14 O ATOM 1973 CB VAL A 256 26.477 23.955 -2.317 1.00 12.37 C ATOM 1974 CG1 VAL A 256 27.181 22.590 -2.374 1.00 12.80 C ATOM 1975 CG2 VAL A 256 27.189 24.976 -3.178 1.00 11.48 C ATOM 1976 N ARG A 257 23.688 21.886 -1.870 1.00 13.05 N ATOM 1977 CA ARG A 257 22.909 21.107 -0.899 1.00 13.15 C ATOM 1978 C ARG A 257 23.763 20.022 -0.267 1.00 13.10 C ATOM 1979 O ARG A 257 24.636 19.456 -0.941 1.00 12.67 O ATOM 1980 CB ARG A 257 21.698 20.436 -1.611 1.00 13.05 C ATOM 1981 CG ARG A 257 20.810 21.448 -2.335 1.00 12.58 C ATOM 1982 CD ARG A 257 19.622 20.762 -2.946 1.00 12.34 C ATOM 1983 NE ARG A 257 19.972 20.011 -4.124 1.00 12.12 N ATOM 1984 CZ ARG A 257 19.339 18.960 -4.596 1.00 12.34 C ATOM 1985 NH1 ARG A 257 18.272 18.376 -4.023 1.00 12.86 N ATOM 1986 NH2 ARG A 257 19.785 18.401 -5.706 1.00 12.28 N ATOM 1987 N ALA A 258 23.489 19.710 0.999 1.00 12.87 N ATOM 1988 CA ALA A 258 24.256 18.660 1.705 1.00 12.63 C ATOM 1989 C ALA A 258 23.317 17.536 2.112 1.00 13.19 C ATOM 1990 O ALA A 258 22.113 17.765 2.382 1.00 12.54 O ATOM 1991 CB ALA A 258 25.003 19.260 2.872 1.00 11.68 C ATOM 1992 N SER A 259 23.884 16.328 2.135 1.00 13.28 N ATOM 1993 CA SER A 259 23.083 15.157 2.527 1.00 13.53 C ATOM 1994 C SER A 259 23.139 14.937 4.039 1.00 14.51 C ATOM 1995 O SER A 259 22.664 13.886 4.515 1.00 14.96 O ATOM 1996 CB SER A 259 23.583 13.911 1.814 1.00 14.15 C ATOM 1997 OG SER A 259 24.904 13.593 2.303 1.00 14.78 O ATOM 1998 N PHE A 260 23.694 15.886 4.760 1.00 14.98 N ATOM 1999 CA PHE A 260 23.867 15.830 6.226 1.00 15.50 C ATOM 2000 C PHE A 260 23.799 17.233 6.816 1.00 15.80 C ATOM 2001 O PHE A 260 23.447 17.305 8.014 1.00 17.26 O ATOM 2002 CB PHE A 260 25.207 15.118 6.554 1.00 14.52 C ATOM 2003 CG PHE A 260 26.350 15.845 5.910 1.00 14.70 C ATOM 2004 CD1 PHE A 260 26.620 15.664 4.546 1.00 14.34 C ATOM 2005 CD2 PHE A 260 27.077 16.805 6.613 1.00 14.38 C ATOM 2006 CE1 PHE A 260 27.616 16.383 3.924 1.00 14.09 C ATOM 2007 CE2 PHE A 260 28.091 17.527 5.979 1.00 14.82 C ATOM 2008 CZ PHE A 260 28.384 17.311 4.616 1.00 14.01 C ATOM 2009 OXT PHE A 260 24.052 18.251 6.164 1.00 16.42 O TER 2010 PHE A 260 HETATM 2011 HG HG A 261 37.164 16.935 -14.986 1.00 11.02 HG HETATM 2012 HG A HG A 262 30.995 10.233 -2.390 0.83 23.01 HG HETATM 2013 CL CL A 263 35.122 17.557 -16.198 1.00 17.58 CL HETATM 2014 HG B HG A 264 30.916 10.307 -0.811 0.59 25.19 HG HETATM 2015 CL CL A 265 28.770 9.666 -1.669 0.87 18.50 CL HETATM 2016 HG HG A 267 48.848 25.559 -11.133 0.25 38.51 HG HETATM 2017 S H2S A 266 33.082 10.693 0.058 0.33 28.74 S HETATM 2018 O HOH A 268 41.720 16.136 -16.629 1.00 6.39 O HETATM 2019 O HOH A 269 33.044 29.904 -6.057 1.00 12.73 O HETATM 2020 O HOH A 270 23.057 16.674 -14.815 0.96 5.20 O HETATM 2021 O HOH A 271 52.213 9.929 -29.530 1.00 11.95 O HETATM 2022 O HOH A 272 43.797 12.303 -15.633 0.97 5.46 O HETATM 2023 O HOH A 273 36.237 14.707 -1.458 1.00 9.13 O HETATM 2024 O HOH A 274 39.941 22.014 -16.104 1.00 6.70 O HETATM 2025 O HOH A 275 42.004 18.651 -18.143 1.00 14.05 O HETATM 2026 O HOH A 276 29.360 30.901 -12.928 0.98 12.95 O HETATM 2027 O HOH A 277 39.776 15.687 -18.807 0.97 8.15 O HETATM 2028 O HOH A 278 30.262 1.447 -18.404 0.94 14.03 O HETATM 2029 O HOH A 279 42.217 0.188 -6.792 1.00 26.65 O HETATM 2030 O HOH A 280 37.714 32.745 -19.561 1.00 20.85 O HETATM 2031 O HOH A 281 23.239 21.063 -14.520 0.72 8.48 O HETATM 2032 O HOH A 282 25.576 24.495 -21.800 1.00 17.19 O HETATM 2033 O HOH A 283 28.501 -1.532 -20.932 0.78 6.08 O HETATM 2034 O HOH A 284 53.133 24.774 -2.347 1.00 15.23 O HETATM 2035 O HOH A 285 29.274 28.000 -1.172 1.00 22.50 O HETATM 2036 O HOH A 286 26.207 20.143 -28.576 1.00 24.81 O HETATM 2037 O HOH A 287 58.258 14.132 -18.037 0.91 32.62 O HETATM 2038 O HOH A 288 45.339 -0.198 -8.196 1.00 12.73 O HETATM 2039 O HOH A 289 63.125 18.324 -30.345 1.00 13.30 O HETATM 2040 O HOH A 290 40.092 25.750 -8.605 1.00 19.81 O HETATM 2041 O HOH A 291 27.719 -0.369 -18.293 1.00 12.81 O HETATM 2042 O HOH A 292 39.200 -3.356 -9.349 0.90 27.46 O HETATM 2043 O HOH A 293 18.577 7.183 -9.538 1.00 22.41 O HETATM 2044 O HOH A 294 38.262 29.178 -4.478 0.80 9.84 O HETATM 2045 O HOH A 295 24.565 30.320 -18.362 0.97 14.40 O HETATM 2046 O HOH A 296 41.306 5.789 -2.634 0.98 18.13 O HETATM 2047 O HOH A 297 57.071 17.427 -10.163 1.00 21.32 O HETATM 2048 O HOH A 298 57.027 16.163 -5.988 1.00 23.37 O HETATM 2049 O HOH A 299 48.251 -1.477 -14.587 0.59 2.00 O HETATM 2050 O HOH A 300 23.355 11.443 6.342 0.82 21.47 O HETATM 2051 O HOH A 301 44.976 31.801 -18.798 1.00 24.59 O HETATM 2052 O HOH A 302 28.002 21.117 4.655 0.91 17.77 O HETATM 2053 O HOH A 303 24.988 27.105 -1.053 0.95 21.91 O HETATM 2054 O HOH A 304 60.674 9.162 -32.094 1.00 20.35 O HETATM 2055 O HOH A 305 37.908 30.083 -16.677 0.88 18.35 O HETATM 2056 O HOH A 306 18.513 14.372 -13.223 0.43 2.61 O HETATM 2057 O HOH A 307 62.853 17.813 -25.415 0.99 9.69 O HETATM 2058 O HOH A 308 35.281 20.234 -32.402 0.60 31.30 O HETATM 2059 O HOH A 309 15.183 15.468 -19.980 0.69 13.77 O HETATM 2060 O HOH A 310 32.770 32.587 -14.872 0.36 8.52 O HETATM 2061 O HOH A 311 54.961 7.228 -2.846 0.94 13.99 O HETATM 2062 O HOH A 312 15.850 20.852 1.104 0.56 24.50 O HETATM 2063 O HOH A 313 38.584 9.873 -23.909 1.00 15.55 O HETATM 2064 O HOH A 314 56.340 19.916 -28.731 0.95 13.17 O HETATM 2065 O HOH A 315 27.594 6.499 -25.684 0.79 19.98 O HETATM 2066 O HOH A 316 54.715 8.869 -15.217 0.79 29.40 O HETATM 2067 O HOH A 317 39.551 34.663 -30.072 0.87 30.56 O HETATM 2068 O HOH A 318 51.526 20.741 -21.182 1.00 32.62 O HETATM 2069 O HOH A 319 17.501 11.559 -12.401 1.00 29.86 O HETATM 2070 O HOH A 320 48.873 18.867 -7.743 1.00 4.54 O HETATM 2071 O HOH A 321 26.405 34.616 -17.438 0.45 23.24 O HETATM 2072 O HOH A 322 44.192 -6.351 -16.360 1.00 11.36 O HETATM 2073 O HOH A 323 20.169 5.504 -2.766 1.00 17.39 O HETATM 2074 O HOH A 324 40.524 28.593 -7.132 1.00 17.94 O HETATM 2075 O HOH A 325 14.494 19.249 2.101 1.00 17.98 O HETATM 2076 O HOH A 326 46.400 13.135 2.730 1.00 22.27 O HETATM 2077 O HOH A 327 60.670 12.819 -20.619 1.00 19.11 O HETATM 2078 O HOH A 328 28.030 8.444 -28.046 0.77 21.76 O HETATM 2079 O HOH A 329 62.357 12.263 -30.416 0.99 12.35 O HETATM 2080 O HOH A 330 31.007 -1.775 -7.442 1.00 27.70 O HETATM 2081 O HOH A 331 54.170 22.274 -19.378 0.52 18.46 O HETATM 2082 O HOH A 332 48.802 12.222 -31.740 0.60 10.07 O HETATM 2083 O HOH A 333 53.799 17.699 -30.527 0.99 17.20 O HETATM 2084 O HOH A 334 30.814 32.404 -5.016 1.00 36.48 O HETATM 2085 O HOH A 335 36.168 14.302 -20.134 0.91 25.21 O HETATM 2086 O HOH A 336 55.327 7.233 -26.401 0.93 15.98 O HETATM 2087 O HOH A 337 29.611 -9.268 -17.444 0.79 18.25 O HETATM 2088 O HOH A 338 33.600 5.803 -22.463 0.79 17.30 O HETATM 2089 O HOH A 339 18.843 21.144 -21.308 1.00 35.57 O HETATM 2090 O HOH A 340 53.751 12.775 0.336 0.86 14.05 O HETATM 2091 O HOH A 341 54.550 15.249 1.038 0.63 20.09 O HETATM 2092 O HOH A 342 37.638 -5.471 -18.671 1.00 17.02 O HETATM 2093 O HOH A 343 45.595 19.018 0.562 1.00 24.66 O HETATM 2094 O HOH A 344 51.107 21.939 -18.378 1.00 35.95 O HETATM 2095 O HOH A 345 52.807 3.912 -5.802 0.88 20.78 O HETATM 2096 O HOH A 346 54.483 3.204 -11.431 1.00 28.46 O HETATM 2097 O HOH A 347 19.692 16.529 -12.790 1.00 10.50 O HETATM 2098 O HOH A 348 21.734 21.876 -5.525 0.95 10.58 O HETATM 2099 O HOH A 349 16.154 20.537 -22.576 0.94 25.60 O HETATM 2100 O HOH A 350 37.597 -5.271 -7.581 1.00 28.07 O HETATM 2101 O HOH A 351 20.802 23.193 6.562 0.55 16.15 O HETATM 2102 O HOH A 352 48.126 14.688 -32.619 0.81 27.65 O HETATM 2103 O HOH A 353 53.017 6.637 2.577 0.80 16.43 O HETATM 2104 O HOH A 354 38.085 25.422 -30.919 0.31 34.08 O HETATM 2105 O HOH A 355 19.630 13.833 3.389 0.60 18.28 O HETATM 2106 O HOH A 356 57.677 21.419 -31.368 0.49 14.29 O HETATM 2107 O HOH A 357 45.620 22.964 -32.905 0.86 25.51 O HETATM 2108 O HOH A 358 53.206 2.400 -29.667 0.55 23.03 O HETATM 2109 O HOH A 359 58.131 9.987 -9.032 1.00 29.17 O HETATM 2110 O HOH A 360 14.633 19.039 -2.665 1.00 22.09 O HETATM 2111 O HOH A 361 35.118 31.329 -5.773 1.00 23.07 O HETATM 2112 O HOH A 362 31.775 -0.897 -25.600 1.00 23.06 O HETATM 2113 O HOH A 363 22.952 20.470 -28.868 0.43 20.82 O HETATM 2114 O HOH A 364 57.455 23.491 -33.430 0.99 20.38 O HETATM 2115 O HOH A 365 40.584 5.813 1.132 0.70 20.00 O HETATM 2116 O HOH A 366 14.856 8.529 -14.893 0.97 20.79 O HETATM 2117 O HOH A 367 42.924 29.546 -8.063 0.69 35.02 O HETATM 2118 O HOH A 368 30.263 28.396 -25.689 0.86 37.08 O HETATM 2119 O HOH A 369 50.887 26.370 -4.554 0.86 28.15 O HETATM 2120 O HOH A 370 14.905 16.685 -22.518 1.00 35.31 O HETATM 2121 O HOH A 371 61.363 11.071 -27.567 0.62 15.93 O HETATM 2122 O HOH A 372 43.818 20.983 -25.199 0.73 28.37 O HETATM 2123 O HOH A 373 54.448 5.154 -24.650 1.00 25.48 O HETATM 2124 O HOH A 374 52.398 0.081 -19.100 0.44 19.24 O HETATM 2125 O HOH A 375 23.195 30.668 -11.723 1.00 23.31 O HETATM 2126 O HOH A 376 45.460 28.590 -4.102 1.00 26.96 O HETATM 2127 O HOH A 377 37.871 -10.060 -18.222 0.94 24.73 O HETATM 2128 O HOH A 378 41.935 -3.555 -7.064 0.89 32.32 O HETATM 2129 O HOH A 379 17.614 12.361 3.408 0.39 29.69 O HETATM 2130 O HOH A 380 53.992 5.727 -14.116 0.47 19.85 O HETATM 2131 O HOH A 381 34.271 32.415 -3.580 0.58 16.42 O HETATM 2132 O HOH A 382 30.871 10.723 -27.588 0.97 34.99 O HETATM 2133 O HOH A 383 18.073 15.767 -27.666 0.88 26.46 O HETATM 2134 O HOH A 384 21.893 24.069 -18.111 0.76 23.87 O HETATM 2135 O HOH A 385 44.210 -2.860 -14.373 1.00 33.47 O HETATM 2136 O HOH A 386 38.840 31.884 -14.605 1.00 29.47 O HETATM 2137 O HOH A 387 39.245 15.464 4.862 0.62 22.37 O HETATM 2138 O HOH A 388 32.686 22.101 -28.976 0.77 28.63 O HETATM 2139 O HOH A 389 31.822 28.750 5.738 0.46 8.44 O HETATM 2140 O HOH A 390 43.308 7.210 1.098 0.43 8.20 O HETATM 2141 O HOH A 391 27.407 2.408 -3.142 0.56 10.19 O HETATM 2142 O HOH A 392 57.231 15.415 -12.285 0.57 13.96 O HETATM 2143 O HOH A 393 39.026 16.238 -23.802 0.60 19.15 O HETATM 2144 O HOH A 394 40.249 29.844 4.382 0.88 39.60 O HETATM 2145 O HOH A 395 16.251 17.770 -25.562 1.00 44.31 O HETATM 2146 O HOH A 396 45.577 13.634 -30.983 0.64 33.04 O HETATM 2147 O HOH A 397 29.349 -5.915 -10.864 0.36 2.00 O HETATM 2148 O HOH A 398 31.442 2.373 -3.016 1.00 30.49 O HETATM 2149 O HOH A 399 22.367 23.340 -21.096 0.96 35.85 O HETATM 2150 O HOH A 400 50.936 -2.251 -17.981 0.74 33.52 O HETATM 2151 O HOH A 401 14.324 9.885 -1.357 1.00 39.15 O HETATM 2152 O HOH A 402 27.970 35.161 -7.753 1.00 35.41 O HETATM 2153 O HOH A 403 56.418 7.937 0.025 0.74 19.76 O HETATM 2154 O HOH A 404 50.907 18.570 -27.858 0.52 19.86 O HETATM 2155 O HOH A 405 59.093 13.429 -26.248 0.76 27.60 O HETATM 2156 O HOH A 406 45.850 34.588 -19.736 0.46 17.47 O HETATM 2157 O HOH A 407 30.604 -0.761 -4.615 1.00 28.73 O HETATM 2158 O HOH A 408 47.061 22.418 -27.498 0.46 19.94 O HETATM 2159 O HOH A 409 38.921 22.387 -30.364 0.91 36.75 O HETATM 2160 O HOH A 410 15.026 10.117 -25.475 1.00 39.97 O HETATM 2161 O HOH A 411 24.248 -7.805 -16.972 1.00 32.45 O HETATM 2162 O HOH A 412 33.113 36.145 -24.946 0.87 32.03 O HETATM 2163 O HOH A 413 48.712 23.465 -21.944 0.90 19.73 O HETATM 2164 O HOH A 414 51.930 2.284 -3.557 0.87 31.33 O HETATM 2165 O HOH A 415 49.754 24.630 -7.620 1.00 13.89 O HETATM 2166 O HOH A 416 19.636 2.362 -5.624 1.00 26.34 O HETATM 2167 O HOH A 417 48.770 28.390 -5.097 0.85 35.97 O HETATM 2168 O HOH A 418 50.794 21.893 -25.231 0.66 18.65 O HETATM 2169 O HOH A 419 31.164 -5.099 -24.529 1.00 39.98 O HETATM 2170 O HOH A 420 21.773 -1.876 -4.996 0.83 24.70 O HETATM 2171 O HOH A 421 19.831 1.416 -2.873 0.66 12.08 O HETATM 2172 O HOH A 422 49.811 -1.663 -19.968 0.74 19.17 O HETATM 2173 O HOH A 423 30.424 32.528 4.300 0.86 41.36 O HETATM 2174 O HOH A 424 46.434 33.649 -13.654 0.49 20.67 O HETATM 2175 O HOH A 425 29.756 7.143 -31.355 1.00 43.60 O HETATM 2176 O HOH A 426 56.067 11.669 0.234 0.64 34.31 O HETATM 2177 O HOH A 427 54.976 10.197 -34.092 0.77 43.46 O HETATM 2178 O HOH A 428 31.924 6.997 -1.429 1.00 21.74 O HETATM 2179 O HOH A 429 45.011 23.607 -29.026 0.71 38.80 O HETATM 2180 O HOH A 430 56.860 16.757 1.294 0.95 28.91 O HETATM 2181 O HOH A 431 53.427 19.116 1.315 0.82 19.69 O HETATM 2182 O HOH A 432 47.794 20.308 -19.123 0.99 22.89 O HETATM 2183 O HOH A 433 42.953 0.018 -26.724 1.00 26.83 O HETATM 2184 O HOH A 434 20.837 29.796 -16.824 1.00 30.35 O HETATM 2185 O HOH A 435 28.281 32.683 -21.652 0.66 17.83 O HETATM 2186 O HOH A 436 25.126 23.828 -23.782 0.61 16.18 O HETATM 2187 O HOH A 437 30.640 2.897 1.003 0.76 30.69 O HETATM 2188 O HOH A 438 23.966 32.105 -21.025 0.65 29.32 O HETATM 2189 O HOH A 439 44.412 -4.463 -7.240 0.69 14.39 O HETATM 2190 O HOH A 440 40.775 -4.974 -10.098 0.74 27.70 O HETATM 2191 O HOH A 441 19.068 -2.921 -6.212 0.61 18.23 O HETATM 2192 O HOH A 442 57.659 6.902 -33.707 0.51 22.78 O HETATM 2193 O HOH A 443 13.077 8.370 -18.695 0.33 2.66 O HETATM 2194 O HOH A 444 42.368 29.773 -25.582 0.77 31.75 O HETATM 2195 O HOH A 445 29.301 2.847 -2.082 0.64 28.29 O HETATM 2196 O HOH A 446 44.569 -2.420 -4.636 0.57 23.52 O HETATM 2197 O HOH A 447 51.994 28.811 -24.806 0.70 23.40 O HETATM 2198 O HOH A 448 50.574 4.127 2.989 0.68 23.58 O HETATM 2199 O HOH A 449 31.587 17.652 -28.371 0.91 38.64 O HETATM 2200 O HOH A 450 44.881 20.911 2.001 1.00 31.18 O HETATM 2201 O HOH A 451 42.613 20.728 -33.490 0.97 37.99 O HETATM 2202 O HOH A 452 29.117 23.964 8.471 0.36 21.37 O HETATM 2203 O HOH A 453 38.617 13.306 5.216 0.69 22.54 O HETATM 2204 O HOH A 454 32.679 14.422 -21.629 0.61 22.62 O HETATM 2205 O HOH A 455 17.327 11.264 -27.380 0.69 23.13 O HETATM 2206 O HOH A 456 52.833 23.504 -22.187 0.66 19.33 O HETATM 2207 O HOH A 457 49.300 20.540 -35.163 0.97 32.81 O HETATM 2208 O HOH A 458 43.211 20.648 -30.515 0.44 33.15 O HETATM 2209 O HOH A 459 40.867 8.774 -29.663 0.65 21.96 O HETATM 2210 O HOH A 460 46.439 24.904 -14.299 0.85 23.69 O HETATM 2211 O HOH A 461 58.372 17.201 -8.731 1.00 29.92 O HETATM 2212 O HOH A 462 25.692 20.315 6.478 0.96 27.02 O HETATM 2213 O HOH A 463 28.688 16.340 -27.333 0.88 25.86 O HETATM 2214 O HOH A 464 34.028 34.407 -28.156 1.00 33.64 O HETATM 2215 O HOH A 465 24.322 22.273 5.419 0.62 21.30 O HETATM 2216 O HOH A 466 25.412 17.997 -27.966 0.96 25.44 O HETATM 2217 O HOH A 467 48.821 3.388 -28.870 0.46 9.96 O HETATM 2218 O HOH A 468 56.667 25.303 -11.855 1.00 36.22 O HETATM 2219 O HOH A 469 43.016 -5.288 -12.619 0.99 25.90 O HETATM 2220 O HOH A 470 53.309 20.274 -28.183 0.98 32.30 O HETATM 2221 O HOH A 471 39.332 35.668 -17.542 0.46 9.08 O HETATM 2222 O HOH A 472 46.339 20.884 -24.142 0.84 26.54 O HETATM 2223 O HOH A 473 45.570 0.482 -28.584 0.80 39.03 O HETATM 2224 O HOH A 474 26.143 33.952 -5.240 0.78 30.07 O HETATM 2225 O HOH A 475 51.688 25.216 -18.556 0.86 45.23 O HETATM 2226 O HOH A 476 57.844 14.488 -3.834 0.68 26.58 O HETATM 2227 O HOH A 477 43.673 -8.366 -15.980 0.60 18.93 O HETATM 2228 O HOH A 478 29.702 5.465 -1.780 0.91 46.84 O HETATM 2229 O HOH A 479 49.067 4.362 5.256 0.59 25.25 O HETATM 2230 O HOH A 480 30.618 25.648 -25.344 0.66 20.68 O HETATM 2231 O HOH A 481 49.814 -2.800 -12.008 0.81 30.88 O HETATM 2232 O HOH A 482 38.383 20.327 -26.801 0.47 17.86 O HETATM 2233 O HOH A 483 35.370 24.051 -31.420 0.62 29.43 O HETATM 2234 O HOH A 484 58.843 11.295 -27.551 0.79 33.95 O HETATM 2235 O HOH A 485 24.254 10.029 2.051 1.00 35.20 O HETATM 2236 O HOH A 486 17.012 6.728 -23.668 0.45 16.26 O HETATM 2237 O HOH A 487 46.372 32.270 -16.949 0.70 26.74 O HETATM 2238 O HOH A 488 37.214 27.820 -30.569 0.80 31.92 O HETATM 2239 O HOH A 489 30.597 33.297 -14.200 0.80 36.36 O HETATM 2240 O HOH A 490 59.582 13.731 -12.771 0.60 42.35 O HETATM 2241 O HOH A 491 39.473 21.013 -36.498 0.56 31.87 O HETATM 2242 O HOH A 492 65.671 16.691 -27.441 0.95 45.83 O HETATM 2243 O HOH A 493 40.891 27.658 -27.116 0.29 34.87 O HETATM 2244 O HOH A 494 62.907 17.068 -22.825 0.46 19.03 O HETATM 2245 O HOH A 495 35.154 35.206 -3.286 0.54 24.30 O HETATM 2246 O HOH A 496 34.882 8.768 -23.200 0.77 32.08 O HETATM 2247 O HOH A 497 25.572 33.710 -20.324 0.61 35.86 O HETATM 2248 O HOH A 498 23.607 2.218 -25.687 1.00 45.50 O HETATM 2249 O HOH A 499 26.499 3.399 -26.543 0.93 45.30 O HETATM 2250 O HOH A 500 16.577 5.046 -15.419 0.55 30.01 O HETATM 2251 O HOH A 501 55.628 12.802 2.777 0.60 31.81 O HETATM 2252 O HOH A 502 28.058 26.451 -0.089 0.85 29.63 O HETATM 2253 O HOH A 503 47.232 -0.834 -19.038 1.00 41.92 O HETATM 2254 O HOH A 504 19.240 3.512 -0.230 0.91 30.60 O HETATM 2255 O HOH A 505 58.516 9.229 -25.138 0.94 32.48 O HETATM 2256 O HOH A 506 43.568 15.465 -31.639 0.62 30.37 O HETATM 2257 O HOH A 507 13.149 9.502 -13.805 0.59 23.98 O HETATM 2258 O HOH A 508 46.187 27.639 -15.646 0.71 27.76 O HETATM 2259 O HOH A 509 24.074 31.802 -3.754 0.71 24.86 O HETATM 2260 O HOH A 510 29.623 0.740 -28.636 0.64 28.38 O HETATM 2261 O HOH A 511 48.524 18.410 -17.922 0.51 20.48 O HETATM 2262 O HOH A 512 64.176 14.836 -23.209 1.00 34.74 O HETATM 2263 O HOH A 513 36.934 18.174 -24.567 0.92 38.01 O HETATM 2264 O HOH A 514 33.662 30.150 4.647 0.66 31.62 O HETATM 2265 O HOH A 515 41.144 16.992 4.229 0.74 35.97 O HETATM 2266 O HOH A 516 23.035 26.823 -18.907 0.86 36.66 O HETATM 2267 O HOH A 517 61.451 12.466 -24.552 0.88 34.19 O HETATM 2268 O HOH A 518 26.337 36.739 -9.707 1.00 44.35 O HETATM 2269 O HOH A 519 41.793 30.047 -5.128 0.82 36.68 O HETATM 2270 O HOH A 520 31.558 30.174 -3.604 0.84 35.81 O HETATM 2271 O HOH A 521 35.655 30.623 1.153 0.64 32.11 O HETATM 2272 O HOH A 522 33.706 4.184 -23.979 0.81 25.87 O HETATM 2273 O HOH A 523 58.498 24.328 -15.202 0.57 28.07 O HETATM 2274 O HOH A 524 13.244 20.829 -23.349 0.47 25.25 O HETATM 2275 O HOH A 525 33.184 34.110 -5.242 0.91 36.90 O HETATM 2276 O HOH A 526 37.802 16.228 1.218 0.78 32.54 O HETATM 2277 O HOH A 527 52.076 25.366 0.674 0.63 32.75 O HETATM 2278 O HOH A 528 36.678 36.324 -16.176 0.54 23.48 O HETATM 2279 O HOH A 529 56.392 22.424 -28.019 0.49 24.49 O CONECT 724 2011 CONECT 745 2011 CONECT 921 2011 CONECT 2011 724 745 921 MASTER 363 0 7 10 23 0 16 6 2278 1 4 20 END If you find results from this site helpful for your research, please cite one of our papers:
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