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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 06eccf2513b3394e79606f320e019be4793386b9"
| author | bgruening |
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| date | Fri, 10 Sep 2021 08:20:08 +0000 |
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HEADER HYDROLASE(O-GLYCOSYL) 21-JAN-92 1L83 TITLE A CAVITY-CONTAINING MUTANT OF T4 LYSOZYME IS STABILIZED BY BURIED TITLE 2 BENZENE COMPND MOL_ID: 1; COMPND 2 MOLECULE: T4 LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; SOURCE 3 ORGANISM_TAXID: 10665; SOURCE 4 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 5 EXPRESSION_SYSTEM_PLASMID: M13 KEYWDS HYDROLASE(O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR A.E.ERIKSSON,B.W.MATTHEWS REVDAT 3 29-NOV-17 1L83 1 HELIX REVDAT 2 24-FEB-09 1L83 1 VERSN REVDAT 1 31-OCT-93 1L83 0 JRNL AUTH A.E.ERIKSSON,W.A.BAASE,J.A.WOZNIAK,B.W.MATTHEWS JRNL TITL A CAVITY-CONTAINING MUTANT OF T4 LYSOZYME IS STABILIZED BY JRNL TITL 2 BURIED BENZENE. JRNL REF NATURE V. 355 371 1992 JRNL REFN ISSN 0028-0836 JRNL PMID 1731252 JRNL DOI 10.1038/355371A0 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.152 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 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 : 1289 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 16 REMARK 3 SOLVENT ATOMS : 142 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.014 ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : 1.900 ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : NULL REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 RESIDUES 162 - 164 IN WILD-TYPE AND ALL MUTANT LYSOZYMES REMARK 3 ARE EXTREMELY MOBILE. THUS THE COORDINATES FOR THESE REMARK 3 RESIDUES ARE VERY UNRELIABLE. THIS ENTRY DOES NOT INCLUDE REMARK 3 RESIDUES 163 AND 164. REMARK 4 REMARK 4 1L83 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_1000174609. 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 <I/SIGMA(I)> 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 <I/SIGMA(I)> 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 (%): 55.92 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 64.60000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.30000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.30000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 64.60000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ASN A 163 REMARK 465 LEU A 164 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 O1 BME A 901 O1 BME A 901 5555 2.06 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 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ASP A 10 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 ASP A 20 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES REMARK 500 ASP A 47 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ASP A 47 CB - CG - OD2 ANGL. DEV. = -8.2 DEGREES REMARK 500 ASP A 70 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 70 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 ASP A 72 CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES REMARK 500 ASP A 72 CB - CG - OD2 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP A 92 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES REMARK 500 ASP A 92 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 137 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ILE A 29 69.37 -100.38 REMARK 500 PHE A 114 43.04 -84.23 REMARK 500 REMARK 500 REMARK: NULL REMARK 700 REMARK 700 SHEET REMARK 700 THERE ARE SEVERAL SUBTLE ASPECTS OF THE SECONDARY STRUCTURE REMARK 700 OF THIS MOLECULE WHICH CANNOT CONVENIENTLY BE REPRESENTED REMARK 700 IN HELIX AND SHEET RECORDS BELOW. THESE ASPECTS INFLUENCE REMARK 700 THE REPRESENTATION OF HELIX 6 AND STRAND 3 OF SHEET *S1*. REMARK 700 THE PAPER J.MOL.BIOL., V. 118, P. 81, 1978 SHOULD BE REMARK 700 CONSULTED FOR THESE SUBTLETIES. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 173 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL A 178 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A 902 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BNZ A 400 DBREF 1L83 A 1 164 UNP P00720 LYCV_BPT4 1 164 SEQADV 1L83 THR A 54 UNP P00720 CYS 54 CONFLICT SEQADV 1L83 ALA A 97 UNP P00720 CYS 97 CONFLICT SEQADV 1L83 ALA A 99 UNP P00720 LEU 99 CONFLICT SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN THR ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG ALA ALA ALA ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET CL A 173 1 HET CL A 178 1 HET BME A 901 4 HET BME A 902 4 HET BNZ A 400 6 HETNAM CL CHLORIDE ION HETNAM BME BETA-MERCAPTOETHANOL HETNAM BNZ BENZENE FORMUL 2 CL 2(CL 1-) FORMUL 4 BME 2(C2 H6 O S) FORMUL 6 BNZ C6 H6 HELIX 1 H1 ILE A 3 GLU A 11 1 9 HELIX 2 H2 LEU A 39 ILE A 50 1 12 HELIX 3 H3 LYS A 60 ARG A 80 1 21 HELIX 4 H4 ALA A 82 SER A 90 1 9 HELIX 5 H5 ALA A 93 MET A 106 1 14 HELIX 6 H6 GLU A 108 GLY A 113 1 6 HELIX 7 H7 THR A 115 GLN A 123 1 9 HELIX 8 H8 TRP A 126 ALA A 134 1 9 HELIX 9 H9 ARG A 137 GLN A 141 1 5 HELIX 10 H10 PRO A 143 THR A 155 1 13 SHEET 1 S1 4 GLY A 56 ILE A 58 0 SHEET 2 S1 4 ARG A 14 ASP A 20 -1 O LEU A 15 N ILE A 58 SHEET 3 S1 4 TYR A 24 ILE A 27 -1 O TYR A 24 N ASP A 20 SHEET 4 S1 4 HIS A 31 LEU A 33 -1 N HIS A 31 O ILE A 27 LINK S2 BME A 901 S2 BME A 902 1555 1555 2.06 SITE 1 AC1 6 LYS A 124 THR A 142 ASN A 144 ARG A 145 SITE 1 AC3 2 ASP A 72 BME A 902 SITE 1 AC5 5 LEU A 84 VAL A 87 ALA A 99 VAL A 111 SITE 2 AC5 5 LEU A 118 CRYST1 60.900 60.900 96.900 90.00 90.00 120.00 P 32 2 1 6 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 0.016420 0.009480 0.000000 0.00000 SCALE2 0.000000 0.018961 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010320 0.00000 ATOM 1 N MET A 1 44.033 -3.278 9.175 1.00 26.05 N ATOM 2 CA MET A 1 43.538 -1.920 9.169 1.00 22.30 C ATOM 3 C MET A 1 42.107 -1.960 9.644 1.00 23.28 C ATOM 4 O MET A 1 41.428 -2.961 9.437 1.00 24.03 O ATOM 5 CB MET A 1 43.681 -1.347 7.748 1.00 17.20 C ATOM 6 CG MET A 1 42.992 -0.041 7.560 1.00 36.83 C ATOM 7 SD MET A 1 44.054 1.325 8.014 1.00 38.78 S ATOM 8 CE MET A 1 45.547 0.862 7.131 1.00 38.29 C ATOM 9 N ASN A 2 41.675 -0.920 10.337 1.00 19.45 N ATOM 10 CA ASN A 2 40.322 -0.843 10.858 1.00 11.71 C ATOM 11 C ASN A 2 39.927 0.639 10.887 1.00 16.21 C ATOM 12 O ASN A 2 40.814 1.466 10.651 1.00 14.56 O ATOM 13 CB ASN A 2 40.218 -1.520 12.262 1.00 12.56 C ATOM 14 CG ASN A 2 41.172 -0.925 13.276 1.00 20.46 C ATOM 15 OD1 ASN A 2 41.087 0.279 13.565 1.00 18.36 O ATOM 16 ND2 ASN A 2 42.093 -1.737 13.785 1.00 16.84 N ATOM 17 N ILE A 3 38.646 0.957 11.221 1.00 13.15 N ATOM 18 CA ILE A 3 38.130 2.334 11.279 1.00 18.81 C ATOM 19 C ILE A 3 39.008 3.332 12.112 1.00 19.56 C ATOM 20 O ILE A 3 39.257 4.495 11.744 1.00 15.88 O ATOM 21 CB ILE A 3 36.622 2.346 11.600 1.00 20.83 C ATOM 22 CG1 ILE A 3 36.056 3.775 11.532 1.00 13.36 C ATOM 23 CG2 ILE A 3 36.359 1.673 12.957 1.00 8.64 C ATOM 24 CD1 ILE A 3 36.296 4.495 10.184 1.00 7.04 C ATOM 25 N PHE A 4 39.523 2.842 13.250 1.00 12.76 N ATOM 26 CA PHE A 4 40.367 3.618 14.148 1.00 8.29 C ATOM 27 C PHE A 4 41.692 4.017 13.543 1.00 21.97 C ATOM 28 O PHE A 4 42.072 5.186 13.578 1.00 13.97 O ATOM 29 CB PHE A 4 40.567 2.924 15.486 1.00 13.10 C ATOM 30 CG PHE A 4 39.295 2.878 16.291 1.00 17.55 C ATOM 31 CD1 PHE A 4 38.936 3.937 17.123 1.00 18.17 C ATOM 32 CD2 PHE A 4 38.488 1.739 16.283 1.00 16.43 C ATOM 33 CE1 PHE A 4 37.778 3.895 17.904 1.00 25.19 C ATOM 34 CE2 PHE A 4 37.322 1.684 17.047 1.00 19.84 C ATOM 35 CZ PHE A 4 36.975 2.757 17.870 1.00 20.91 C ATOM 36 N GLU A 5 42.394 3.049 12.989 1.00 13.96 N ATOM 37 CA GLU A 5 43.640 3.322 12.336 1.00 14.95 C ATOM 38 C GLU A 5 43.402 4.180 11.111 1.00 19.25 C ATOM 39 O GLU A 5 44.211 5.005 10.786 1.00 17.03 O ATOM 40 CB GLU A 5 44.341 2.036 11.886 1.00 12.37 C ATOM 41 CG GLU A 5 44.649 1.082 13.052 1.00 21.73 C ATOM 42 CD GLU A 5 45.212 -0.251 12.624 1.00 40.63 C ATOM 43 OE1 GLU A 5 45.445 -0.560 11.464 1.00 46.12 O ATOM 44 OE2 GLU A 5 45.443 -1.043 13.646 1.00 87.76 O ATOM 45 N MET A 6 42.290 3.956 10.416 1.00 16.52 N ATOM 46 CA MET A 6 41.960 4.735 9.235 1.00 13.40 C ATOM 47 C MET A 6 41.786 6.230 9.559 1.00 23.32 C ATOM 48 O MET A 6 42.364 7.115 8.896 1.00 14.81 O ATOM 49 CB MET A 6 40.638 4.204 8.644 1.00 14.48 C ATOM 50 CG MET A 6 40.306 4.807 7.282 1.00 9.35 C ATOM 51 SD MET A 6 38.530 4.556 6.883 1.00 13.92 S ATOM 52 CE MET A 6 38.416 4.595 5.066 1.00 15.20 C ATOM 53 N LEU A 7 40.930 6.512 10.566 1.00 14.53 N ATOM 54 CA LEU A 7 40.678 7.905 10.962 1.00 21.29 C ATOM 55 C LEU A 7 41.911 8.573 11.600 1.00 18.43 C ATOM 56 O LEU A 7 42.139 9.788 11.493 1.00 15.56 O ATOM 57 CB LEU A 7 39.461 7.978 11.870 1.00 18.54 C ATOM 58 CG LEU A 7 38.189 7.924 11.063 1.00 16.53 C ATOM 59 CD1 LEU A 7 37.014 7.560 11.971 1.00 17.49 C ATOM 60 CD2 LEU A 7 37.986 9.269 10.370 1.00 15.12 C ATOM 61 N ARG A 8 42.708 7.762 12.273 1.00 14.16 N ATOM 62 CA ARG A 8 43.917 8.261 12.880 1.00 19.61 C ATOM 63 C ARG A 8 44.865 8.781 11.808 1.00 26.30 C ATOM 64 O ARG A 8 45.528 9.774 12.024 1.00 21.88 O ATOM 65 CB ARG A 8 44.586 7.325 13.869 1.00 20.56 C ATOM 66 CG ARG A 8 46.027 7.718 14.184 1.00 37.82 C ATOM 67 CD ARG A 8 46.170 8.712 15.353 1.00 42.77 C ATOM 68 NE ARG A 8 47.524 9.293 15.530 1.00 46.83 N ATOM 69 CZ ARG A 8 48.229 9.972 14.607 1.00 99.19 C ATOM 70 NH1 ARG A 8 47.777 10.221 13.368 1.00 32.80 N ATOM 71 NH2 ARG A 8 49.430 10.433 14.949 1.00 91.26 N ATOM 72 N ILE A 9 44.882 8.142 10.640 1.00 16.92 N ATOM 73 CA ILE A 9 45.673 8.563 9.496 1.00 16.35 C ATOM 74 C ILE A 9 45.072 9.813 8.829 1.00 27.38 C ATOM 75 O ILE A 9 45.743 10.755 8.446 1.00 18.28 O ATOM 76 CB ILE A 9 45.825 7.439 8.446 1.00 20.31 C ATOM 77 CG1 ILE A 9 46.883 6.436 8.859 1.00 13.36 C ATOM 78 CG2 ILE A 9 46.135 7.977 7.034 1.00 17.06 C ATOM 79 CD1 ILE A 9 46.565 5.036 8.332 1.00 14.58 C ATOM 80 N ASP A 10 43.782 9.852 8.693 1.00 15.81 N ATOM 81 CA ASP A 10 43.153 11.003 8.063 1.00 15.50 C ATOM 82 C ASP A 10 43.093 12.295 8.910 1.00 21.63 C ATOM 83 O ASP A 10 43.130 13.406 8.391 1.00 17.28 O ATOM 84 CB ASP A 10 41.730 10.592 7.624 1.00 16.10 C ATOM 85 CG ASP A 10 41.760 9.803 6.377 1.00 13.23 C ATOM 86 OD1 ASP A 10 42.695 9.816 5.611 1.00 20.55 O ATOM 87 OD2 ASP A 10 40.712 9.060 6.233 1.00 17.18 O ATOM 88 N GLU A 11 42.945 12.153 10.224 1.00 15.81 N ATOM 89 CA GLU A 11 42.797 13.289 11.103 1.00 19.29 C ATOM 90 C GLU A 11 44.052 13.749 11.841 1.00 20.40 C ATOM 91 O GLU A 11 44.089 14.894 12.260 1.00 23.72 O ATOM 92 CB GLU A 11 41.697 12.982 12.133 1.00 14.01 C ATOM 93 CG GLU A 11 40.376 12.667 11.443 1.00 17.34 C ATOM 94 CD GLU A 11 39.697 13.912 10.945 1.00 27.44 C ATOM 95 OE1 GLU A 11 40.323 15.018 11.244 1.00 21.14 O ATOM 96 OE2 GLU A 11 38.656 13.904 10.343 1.00 20.55 O ATOM 97 N GLY A 12 45.035 12.858 12.032 1.00 14.20 N ATOM 98 CA GLY A 12 46.232 13.131 12.806 1.00 18.37 C ATOM 99 C GLY A 12 45.899 13.169 14.304 1.00 20.59 C ATOM 100 O GLY A 12 44.810 12.854 14.722 1.00 21.58 O ATOM 101 N LEU A 13 46.836 13.559 15.141 1.00 19.85 N ATOM 102 CA LEU A 13 46.609 13.677 16.565 1.00 22.44 C ATOM 103 C LEU A 13 47.261 14.972 17.039 1.00 44.17 C ATOM 104 O LEU A 13 48.431 15.186 16.806 1.00 26.20 O ATOM 105 CB LEU A 13 47.176 12.474 17.338 1.00 38.90 C ATOM 106 CG LEU A 13 47.507 12.775 18.806 1.00 40.07 C ATOM 107 CD1 LEU A 13 46.230 12.764 19.641 1.00 28.57 C ATOM 108 CD2 LEU A 13 48.473 11.727 19.353 1.00 46.54 C ATOM 109 N ARG A 14 46.519 15.861 17.664 1.00 27.36 N ATOM 110 CA ARG A 14 47.072 17.111 18.151 1.00 21.86 C ATOM 111 C ARG A 14 46.637 17.313 19.543 1.00 18.77 C ATOM 112 O ARG A 14 45.464 17.155 19.839 1.00 17.64 O ATOM 113 CB ARG A 14 46.786 18.278 17.235 1.00 21.80 C ATOM 114 CG ARG A 14 47.611 18.057 15.960 1.00 32.36 C ATOM 115 CD ARG A 14 47.523 19.146 14.885 1.00 38.76 C ATOM 116 NE ARG A 14 48.169 20.392 15.285 1.00 68.59 N ATOM 117 CZ ARG A 14 48.045 21.562 14.644 1.00 68.57 C ATOM 118 NH1 ARG A 14 47.305 21.721 13.545 1.00 57.76 N ATOM 119 NH2 ARG A 14 48.693 22.618 15.121 1.00 67.84 N ATOM 120 N LEU A 15 47.595 17.574 20.411 1.00 16.44 N ATOM 121 CA LEU A 15 47.275 17.692 21.801 1.00 23.28 C ATOM 122 C LEU A 15 46.977 19.081 22.288 1.00 30.07 C ATOM 123 O LEU A 15 46.694 19.236 23.471 1.00 29.20 O ATOM 124 CB LEU A 15 48.326 17.033 22.690 1.00 24.37 C ATOM 125 CG LEU A 15 48.476 15.536 22.446 1.00 26.92 C ATOM 126 CD1 LEU A 15 49.575 15.021 23.360 1.00 27.01 C ATOM 127 CD2 LEU A 15 47.167 14.818 22.759 1.00 29.93 C ATOM 128 N LYS A 16 47.056 20.075 21.411 1.00 19.85 N ATOM 129 CA LYS A 16 46.764 21.473 21.775 1.00 23.72 C ATOM 130 C LYS A 16 45.688 21.980 20.817 1.00 18.66 C ATOM 131 O LYS A 16 45.665 21.488 19.685 1.00 24.77 O ATOM 132 CB LYS A 16 48.073 22.289 21.769 1.00 37.57 C ATOM 133 CG LYS A 16 47.898 23.782 21.584 1.00 68.90 C ATOM 134 CD LYS A 16 48.159 24.572 22.857 1.00100.00 C ATOM 135 CE LYS A 16 46.870 25.038 23.522 1.00100.00 C ATOM 136 NZ LYS A 16 47.076 26.091 24.527 1.00100.00 N ATOM 137 N ILE A 17 44.753 22.868 21.267 1.00 27.43 N ATOM 138 CA ILE A 17 43.668 23.352 20.390 1.00 20.38 C ATOM 139 C ILE A 17 44.264 23.817 19.092 1.00 33.54 C ATOM 140 O ILE A 17 45.327 24.439 19.129 1.00 27.11 O ATOM 141 CB ILE A 17 42.804 24.480 20.999 1.00 21.16 C ATOM 142 CG1 ILE A 17 42.050 23.954 22.217 1.00 19.36 C ATOM 143 CG2 ILE A 17 41.805 25.048 19.979 1.00 21.16 C ATOM 144 CD1 ILE A 17 41.188 25.006 22.919 1.00 21.11 C ATOM 145 N TYR A 18 43.631 23.474 17.976 1.00 16.03 N ATOM 146 CA TYR A 18 44.131 23.896 16.669 1.00 16.10 C ATOM 147 C TYR A 18 42.943 24.190 15.804 1.00 18.60 C ATOM 148 O TYR A 18 41.802 23.883 16.180 1.00 28.74 O ATOM 149 CB TYR A 18 45.094 22.873 15.992 1.00 17.30 C ATOM 150 CG TYR A 18 44.395 21.599 15.575 1.00 27.30 C ATOM 151 CD1 TYR A 18 44.162 20.601 16.524 1.00 26.74 C ATOM 152 CD2 TYR A 18 43.961 21.397 14.259 1.00 27.82 C ATOM 153 CE1 TYR A 18 43.497 19.427 16.168 1.00 24.56 C ATOM 154 CE2 TYR A 18 43.306 20.221 13.880 1.00 27.86 C ATOM 155 CZ TYR A 18 43.072 19.247 14.848 1.00 25.77 C ATOM 156 OH TYR A 18 42.449 18.088 14.524 1.00 34.81 O ATOM 157 N LYS A 19 43.196 24.787 14.651 1.00 16.02 N ATOM 158 CA LYS A 19 42.123 25.055 13.726 1.00 19.97 C ATOM 159 C LYS A 19 42.144 23.993 12.657 1.00 41.21 C ATOM 160 O LYS A 19 43.208 23.603 12.144 1.00 21.68 O ATOM 161 CB LYS A 19 42.204 26.414 13.073 1.00 26.17 C ATOM 162 CG LYS A 19 41.924 27.503 14.055 1.00 14.96 C ATOM 163 CD LYS A 19 41.482 28.762 13.372 1.00 41.38 C ATOM 164 CE LYS A 19 41.859 29.995 14.164 1.00 31.10 C ATOM 165 NZ LYS A 19 41.486 31.253 13.499 1.00 42.09 N ATOM 166 N ASP A 20 40.955 23.521 12.332 1.00 21.89 N ATOM 167 CA ASP A 20 40.827 22.500 11.327 1.00 18.05 C ATOM 168 C ASP A 20 40.911 23.061 9.895 1.00 36.54 C ATOM 169 O ASP A 20 41.183 24.237 9.687 1.00 23.32 O ATOM 170 CB ASP A 20 39.632 21.586 11.634 1.00 13.31 C ATOM 171 CG ASP A 20 38.276 22.082 11.210 1.00 22.98 C ATOM 172 OD1 ASP A 20 38.276 23.288 10.764 1.00 25.53 O ATOM 173 OD2 ASP A 20 37.265 21.414 11.265 1.00 20.96 O ATOM 174 N THR A 21 40.656 22.251 8.882 1.00 23.37 N ATOM 175 CA THR A 21 40.782 22.770 7.531 1.00 26.35 C ATOM 176 C THR A 21 39.794 23.823 7.214 1.00 35.10 C ATOM 177 O THR A 21 39.999 24.562 6.252 1.00 31.67 O ATOM 178 CB THR A 21 40.690 21.709 6.445 1.00 36.99 C ATOM 179 OG1 THR A 21 39.336 21.335 6.363 1.00 37.89 O ATOM 180 CG2 THR A 21 41.530 20.490 6.832 1.00 42.61 C ATOM 181 N GLU A 22 38.710 23.856 7.990 1.00 31.70 N ATOM 182 CA GLU A 22 37.649 24.842 7.753 1.00 19.87 C ATOM 183 C GLU A 22 37.825 26.080 8.612 1.00 22.50 C ATOM 184 O GLU A 22 37.067 27.002 8.502 1.00 26.62 O ATOM 185 CB GLU A 22 36.283 24.223 8.011 1.00 19.62 C ATOM 186 CG GLU A 22 35.903 23.121 6.995 1.00 34.66 C ATOM 187 CD GLU A 22 35.610 23.596 5.592 1.00 31.12 C ATOM 188 OE1 GLU A 22 35.076 24.777 5.527 1.00 59.86 O ATOM 189 OE2 GLU A 22 35.803 22.921 4.608 1.00 66.24 O ATOM 190 N GLY A 23 38.849 26.031 9.477 1.00 25.75 N ATOM 191 CA GLY A 23 39.162 27.087 10.404 1.00 16.27 C ATOM 192 C GLY A 23 38.504 26.915 11.753 1.00 44.57 C ATOM 193 O GLY A 23 38.463 27.875 12.501 1.00 24.37 O ATOM 194 N TYR A 24 38.000 25.711 12.094 1.00 23.88 N ATOM 195 CA TYR A 24 37.353 25.542 13.416 1.00 24.79 C ATOM 196 C TYR A 24 38.236 24.943 14.466 1.00 27.90 C ATOM 197 O TYR A 24 39.039 24.055 14.173 1.00 25.68 O ATOM 198 CB TYR A 24 36.094 24.687 13.394 1.00 32.22 C ATOM 199 CG TYR A 24 35.092 25.183 12.417 1.00 28.12 C ATOM 200 CD1 TYR A 24 34.705 26.520 12.413 1.00 53.02 C ATOM 201 CD2 TYR A 24 34.506 24.302 11.513 1.00 19.21 C ATOM 202 CE1 TYR A 24 33.739 26.986 11.524 1.00 45.84 C ATOM 203 CE2 TYR A 24 33.562 24.760 10.595 1.00 36.61 C ATOM 204 CZ TYR A 24 33.180 26.101 10.604 1.00 56.05 C ATOM 205 OH TYR A 24 32.245 26.551 9.714 1.00 45.11 O ATOM 206 N TYR A 25 38.007 25.431 15.692 1.00 15.99 N ATOM 207 CA TYR A 25 38.703 24.984 16.895 1.00 11.94 C ATOM 208 C TYR A 25 38.439 23.499 17.105 1.00 11.94 C ATOM 209 O TYR A 25 37.268 23.099 17.238 1.00 15.34 O ATOM 210 CB TYR A 25 38.307 25.855 18.115 1.00 18.43 C ATOM 211 CG TYR A 25 38.894 27.242 18.016 1.00 34.03 C ATOM 212 CD1 TYR A 25 40.271 27.382 17.848 1.00 27.65 C ATOM 213 CD2 TYR A 25 38.097 28.388 18.057 1.00 33.45 C ATOM 214 CE1 TYR A 25 40.840 28.650 17.734 1.00 39.06 C ATOM 215 CE2 TYR A 25 38.645 29.669 17.931 1.00 23.19 C ATOM 216 CZ TYR A 25 40.027 29.783 17.801 1.00 44.81 C ATOM 217 OH TYR A 25 40.583 31.024 17.670 1.00 49.20 O ATOM 218 N THR A 26 39.533 22.714 17.039 1.00 15.96 N ATOM 219 CA THR A 26 39.531 21.254 17.150 1.00 21.07 C ATOM 220 C THR A 26 40.640 20.872 18.122 1.00 20.51 C ATOM 221 O THR A 26 41.491 21.681 18.416 1.00 25.42 O ATOM 222 CB THR A 26 39.836 20.698 15.707 1.00 24.86 C ATOM 223 OG1 THR A 26 38.890 21.162 14.781 1.00 19.65 O ATOM 224 CG2 THR A 26 39.977 19.183 15.536 1.00 13.83 C ATOM 225 N ILE A 27 40.637 19.640 18.613 1.00 18.89 N ATOM 226 CA ILE A 27 41.690 19.092 19.464 1.00 21.14 C ATOM 227 C ILE A 27 41.718 17.566 19.220 1.00 18.55 C ATOM 228 O ILE A 27 40.750 16.979 18.711 1.00 16.35 O ATOM 229 CB ILE A 27 41.518 19.451 20.950 1.00 24.61 C ATOM 230 CG1 ILE A 27 42.785 19.176 21.766 1.00 25.32 C ATOM 231 CG2 ILE A 27 40.327 18.678 21.501 1.00 23.83 C ATOM 232 CD1 ILE A 27 43.111 20.273 22.751 1.00 23.15 C ATOM 233 N GLY A 28 42.808 16.918 19.577 1.00 13.69 N ATOM 234 CA GLY A 28 42.921 15.459 19.503 1.00 18.65 C ATOM 235 C GLY A 28 42.891 14.893 18.093 1.00 32.78 C ATOM 236 O GLY A 28 43.631 15.346 17.226 1.00 17.03 O ATOM 237 N ILE A 29 42.049 13.872 17.914 1.00 19.09 N ATOM 238 CA ILE A 29 41.904 13.202 16.642 1.00 20.08 C ATOM 239 C ILE A 29 40.667 13.689 15.912 1.00 18.24 C ATOM 240 O ILE A 29 39.682 12.961 15.756 1.00 16.35 O ATOM 241 CB ILE A 29 41.937 11.654 16.737 1.00 24.69 C ATOM 242 CG1 ILE A 29 43.233 11.195 17.408 1.00 26.50 C ATOM 243 CG2 ILE A 29 41.887 11.056 15.327 1.00 21.90 C ATOM 244 CD1 ILE A 29 43.058 10.008 18.337 1.00 20.13 C ATOM 245 N GLY A 30 40.712 14.938 15.460 1.00 14.79 N ATOM 246 CA GLY A 30 39.581 15.472 14.732 1.00 12.92 C ATOM 247 C GLY A 30 38.334 15.746 15.582 1.00 15.37 C ATOM 248 O GLY A 30 37.205 15.716 15.097 1.00 20.15 O ATOM 249 N HIS A 31 38.500 16.048 16.856 1.00 14.09 N ATOM 250 CA HIS A 31 37.325 16.340 17.664 1.00 10.03 C ATOM 251 C HIS A 31 36.956 17.811 17.550 1.00 17.19 C ATOM 252 O HIS A 31 37.635 18.676 18.149 1.00 17.35 O ATOM 253 CB HIS A 31 37.580 15.965 19.155 1.00 9.72 C ATOM 254 CG HIS A 31 36.362 16.220 19.988 1.00 16.25 C ATOM 255 ND1 HIS A 31 35.281 15.352 19.953 1.00 22.15 N ATOM 256 CD2 HIS A 31 36.036 17.264 20.821 1.00 23.02 C ATOM 257 CE1 HIS A 31 34.335 15.868 20.745 1.00 18.36 C ATOM 258 NE2 HIS A 31 34.752 17.022 21.283 1.00 20.39 N ATOM 259 N LEU A 32 35.888 18.123 16.786 1.00 19.89 N ATOM 260 CA LEU A 32 35.434 19.506 16.649 1.00 22.81 C ATOM 261 C LEU A 32 34.989 20.052 18.006 1.00 21.28 C ATOM 262 O LEU A 32 34.230 19.452 18.772 1.00 18.93 O ATOM 263 CB LEU A 32 34.317 19.631 15.603 1.00 28.12 C ATOM 264 CG LEU A 32 33.757 21.065 15.455 1.00 40.81 C ATOM 265 CD1 LEU A 32 34.829 22.054 15.001 1.00 27.79 C ATOM 266 CD2 LEU A 32 32.642 21.081 14.421 1.00 41.16 C ATOM 267 N LEU A 33 35.475 21.192 18.349 1.00 21.56 N ATOM 268 CA LEU A 33 35.078 21.729 19.619 1.00 19.83 C ATOM 269 C LEU A 33 33.908 22.714 19.478 1.00 29.31 C ATOM 270 O LEU A 33 32.944 22.651 20.239 1.00 22.70 O ATOM 271 CB LEU A 33 36.262 22.444 20.297 1.00 22.07 C ATOM 272 CG LEU A 33 37.287 21.510 20.900 1.00 26.04 C ATOM 273 CD1 LEU A 33 38.456 22.373 21.319 1.00 19.93 C ATOM 274 CD2 LEU A 33 36.692 20.792 22.117 1.00 13.61 C ATOM 275 N THR A 34 34.030 23.648 18.517 1.00 17.91 N ATOM 276 CA THR A 34 33.040 24.694 18.281 1.00 36.94 C ATOM 277 C THR A 34 33.277 25.379 16.960 1.00 38.95 C ATOM 278 O THR A 34 34.439 25.521 16.556 1.00 26.47 O ATOM 279 CB THR A 34 33.109 25.828 19.362 1.00 38.53 C ATOM 280 OG1 THR A 34 32.139 26.835 19.135 1.00 32.13 O ATOM 281 CG2 THR A 34 34.479 26.487 19.449 1.00 25.22 C ATOM 282 N LYS A 35 32.178 25.840 16.329 1.00 21.03 N ATOM 283 CA LYS A 35 32.312 26.618 15.115 1.00 42.71 C ATOM 284 C LYS A 35 32.464 28.109 15.399 1.00 49.58 C ATOM 285 O LYS A 35 32.635 28.890 14.480 1.00 44.84 O ATOM 286 CB LYS A 35 31.247 26.369 14.100 1.00 27.30 C ATOM 287 CG LYS A 35 31.270 24.915 13.693 1.00 38.85 C ATOM 288 CD LYS A 35 30.196 24.606 12.682 1.00 33.63 C ATOM 289 CE LYS A 35 30.044 23.119 12.477 1.00 44.83 C ATOM 290 NZ LYS A 35 29.871 22.743 11.072 1.00 99.38 N ATOM 291 N SER A 36 32.423 28.491 16.673 1.00 47.90 N ATOM 292 CA SER A 36 32.586 29.877 17.098 1.00 50.36 C ATOM 293 C SER A 36 34.039 30.342 16.961 1.00 48.50 C ATOM 294 O SER A 36 34.984 29.576 17.201 1.00 29.10 O ATOM 295 CB SER A 36 32.103 30.099 18.525 1.00 46.16 C ATOM 296 OG SER A 36 33.055 30.878 19.233 1.00 86.49 O ATOM 297 N PRO A 37 34.228 31.625 16.606 1.00 52.43 N ATOM 298 CA PRO A 37 35.561 32.190 16.409 1.00 37.83 C ATOM 299 C PRO A 37 36.364 32.379 17.683 1.00 37.68 C ATOM 300 O PRO A 37 37.572 32.627 17.658 1.00 68.51 O ATOM 301 CB PRO A 37 35.334 33.516 15.704 1.00 45.72 C ATOM 302 CG PRO A 37 33.953 33.444 15.089 1.00 54.11 C ATOM 303 CD PRO A 37 33.194 32.404 15.886 1.00 29.50 C ATOM 304 N SER A 38 35.682 32.213 18.804 1.00 50.22 N ATOM 305 CA SER A 38 36.277 32.436 20.095 1.00 33.09 C ATOM 306 C SER A 38 37.081 31.302 20.652 1.00 31.69 C ATOM 307 O SER A 38 36.573 30.200 20.873 1.00 33.48 O ATOM 308 CB SER A 38 35.270 32.944 21.124 1.00 36.81 C ATOM 309 OG SER A 38 35.885 33.091 22.394 1.00 38.78 O ATOM 310 N LEU A 39 38.329 31.628 20.942 1.00 25.77 N ATOM 311 CA LEU A 39 39.195 30.653 21.518 1.00 25.84 C ATOM 312 C LEU A 39 38.731 30.365 22.925 1.00 37.88 C ATOM 313 O LEU A 39 38.994 29.321 23.525 1.00 27.95 O ATOM 314 CB LEU A 39 40.692 31.019 21.415 1.00 29.02 C ATOM 315 CG LEU A 39 41.546 30.011 22.155 1.00 51.86 C ATOM 316 CD1 LEU A 39 41.522 28.669 21.431 1.00 26.75 C ATOM 317 CD2 LEU A 39 42.957 30.533 22.241 1.00 30.96 C ATOM 318 N ASN A 40 37.971 31.285 23.453 1.00 32.37 N ATOM 319 CA ASN A 40 37.485 31.045 24.785 1.00 34.00 C ATOM 320 C ASN A 40 36.283 30.156 24.761 1.00 20.82 C ATOM 321 O ASN A 40 36.131 29.335 25.647 1.00 25.78 O ATOM 322 CB ASN A 40 37.231 32.319 25.582 1.00 58.62 C ATOM 323 CG ASN A 40 38.480 33.154 25.624 1.00 97.93 C ATOM 324 OD1 ASN A 40 39.393 32.885 26.418 1.00 63.93 O ATOM 325 ND2 ASN A 40 38.531 34.143 24.736 1.00100.00 N ATOM 326 N ALA A 41 35.412 30.331 23.766 1.00 22.83 N ATOM 327 CA ALA A 41 34.272 29.446 23.669 1.00 28.43 C ATOM 328 C ALA A 41 34.800 28.004 23.476 1.00 89.67 C ATOM 329 O ALA A 41 34.274 27.058 24.044 1.00 26.13 O ATOM 330 CB ALA A 41 33.282 29.886 22.599 1.00 20.01 C ATOM 331 N ALA A 42 35.910 27.861 22.712 1.00 21.80 N ATOM 332 CA ALA A 42 36.626 26.587 22.450 1.00 25.69 C ATOM 333 C ALA A 42 37.225 26.018 23.713 1.00 21.72 C ATOM 334 O ALA A 42 37.108 24.814 23.991 1.00 26.66 O ATOM 335 CB ALA A 42 37.766 26.725 21.451 1.00 26.28 C ATOM 336 N LYS A 43 37.876 26.873 24.488 1.00 20.78 N ATOM 337 CA LYS A 43 38.448 26.396 25.745 1.00 26.55 C ATOM 338 C LYS A 43 37.367 25.885 26.725 1.00 18.43 C ATOM 339 O LYS A 43 37.536 24.888 27.418 1.00 22.57 O ATOM 340 CB LYS A 43 39.358 27.415 26.401 1.00 29.30 C ATOM 341 CG LYS A 43 40.817 27.310 25.975 1.00 32.53 C ATOM 342 CD LYS A 43 41.658 28.449 26.537 1.00 39.07 C ATOM 343 CE LYS A 43 43.132 28.368 26.191 1.00 70.19 C ATOM 344 NZ LYS A 43 43.999 28.709 27.328 1.00100.00 N ATOM 345 N SER A 44 36.232 26.573 26.760 1.00 25.21 N ATOM 346 CA SER A 44 35.084 26.220 27.588 1.00 40.39 C ATOM 347 C SER A 44 34.493 24.831 27.227 1.00 25.10 C ATOM 348 O SER A 44 34.221 24.015 28.094 1.00 25.06 O ATOM 349 CB SER A 44 34.020 27.309 27.465 1.00 24.69 C ATOM 350 OG SER A 44 33.580 27.696 28.747 1.00 55.07 O ATOM 351 N GLU A 45 34.276 24.599 25.934 1.00 20.29 N ATOM 352 CA GLU A 45 33.776 23.354 25.398 1.00 20.75 C ATOM 353 C GLU A 45 34.770 22.253 25.727 1.00 21.77 C ATOM 354 O GLU A 45 34.390 21.147 26.109 1.00 25.55 O ATOM 355 CB GLU A 45 33.651 23.425 23.864 1.00 17.93 C ATOM 356 CG GLU A 45 32.470 24.292 23.431 1.00 20.42 C ATOM 357 CD GLU A 45 31.171 23.690 23.915 1.00 25.25 C ATOM 358 OE1 GLU A 45 30.924 22.504 23.847 1.00 33.86 O ATOM 359 OE2 GLU A 45 30.325 24.557 24.405 1.00 34.26 O ATOM 360 N LEU A 46 36.055 22.574 25.586 1.00 18.51 N ATOM 361 CA LEU A 46 37.090 21.624 25.898 1.00 23.52 C ATOM 362 C LEU A 46 37.029 21.097 27.350 1.00 27.76 C ATOM 363 O LEU A 46 37.085 19.895 27.625 1.00 24.47 O ATOM 364 CB LEU A 46 38.510 22.141 25.543 1.00 21.42 C ATOM 365 CG LEU A 46 39.572 21.072 25.814 1.00 20.93 C ATOM 366 CD1 LEU A 46 39.228 19.800 25.053 1.00 20.95 C ATOM 367 CD2 LEU A 46 40.957 21.569 25.406 1.00 20.18 C ATOM 368 N ASP A 47 36.932 22.015 28.302 1.00 29.27 N ATOM 369 CA ASP A 47 36.889 21.663 29.720 1.00 22.28 C ATOM 370 C ASP A 47 35.665 20.848 30.051 1.00 24.61 C ATOM 371 O ASP A 47 35.710 19.943 30.884 1.00 24.60 O ATOM 372 CB ASP A 47 36.925 22.908 30.620 1.00 27.92 C ATOM 373 CG ASP A 47 38.241 23.645 30.611 1.00 28.35 C ATOM 374 OD1 ASP A 47 39.335 23.146 30.311 1.00 29.37 O ATOM 375 OD2 ASP A 47 38.067 24.873 30.998 1.00 31.50 O ATOM 376 N LYS A 48 34.576 21.227 29.395 1.00 15.93 N ATOM 377 CA LYS A 48 33.285 20.550 29.520 1.00 22.70 C ATOM 378 C LYS A 48 33.396 19.088 29.003 1.00 14.56 C ATOM 379 O LYS A 48 32.939 18.139 29.617 1.00 19.71 O ATOM 380 CB LYS A 48 32.239 21.340 28.733 1.00 12.69 C ATOM 381 CG LYS A 48 30.892 20.660 28.585 1.00 24.55 C ATOM 382 CD LYS A 48 29.732 21.615 28.309 1.00 24.51 C ATOM 383 CE LYS A 48 29.749 22.290 26.959 1.00 15.73 C ATOM 384 NZ LYS A 48 29.317 21.472 25.854 1.00 18.48 N ATOM 385 N ALA A 49 34.054 18.913 27.864 1.00 27.07 N ATOM 386 CA ALA A 49 34.248 17.605 27.284 1.00 31.80 C ATOM 387 C ALA A 49 35.126 16.664 28.136 1.00 20.96 C ATOM 388 O ALA A 49 34.794 15.500 28.287 1.00 21.01 O ATOM 389 CB ALA A 49 34.713 17.723 25.838 1.00 19.52 C ATOM 390 N ILE A 50 36.227 17.190 28.685 1.00 21.91 N ATOM 391 CA ILE A 50 37.199 16.469 29.513 1.00 19.70 C ATOM 392 C ILE A 50 36.819 16.340 31.004 1.00 19.90 C ATOM 393 O ILE A 50 37.227 15.393 31.705 1.00 26.50 O ATOM 394 CB ILE A 50 38.600 17.109 29.351 1.00 35.09 C ATOM 395 CG1 ILE A 50 38.955 17.207 27.868 1.00 46.51 C ATOM 396 CG2 ILE A 50 39.718 16.391 30.133 1.00 19.09 C ATOM 397 CD1 ILE A 50 38.855 15.866 27.138 1.00 35.36 C ATOM 398 N GLY A 51 36.053 17.287 31.510 1.00 20.52 N ATOM 399 CA GLY A 51 35.695 17.205 32.915 1.00 21.28 C ATOM 400 C GLY A 51 36.795 17.770 33.821 1.00 33.03 C ATOM 401 O GLY A 51 36.936 17.396 34.980 1.00 32.95 O ATOM 402 N ARG A 52 37.587 18.690 33.271 1.00 33.13 N ATOM 403 CA ARG A 52 38.636 19.347 34.024 1.00 25.82 C ATOM 404 C ARG A 52 39.076 20.636 33.358 1.00 51.55 C ATOM 405 O ARG A 52 38.734 20.916 32.204 1.00 31.97 O ATOM 406 CB ARG A 52 39.814 18.431 34.334 1.00 28.82 C ATOM 407 CG ARG A 52 40.896 18.459 33.274 1.00 26.94 C ATOM 408 CD ARG A 52 41.748 17.227 33.345 1.00 29.29 C ATOM 409 NE ARG A 52 42.691 17.129 32.250 1.00 32.97 N ATOM 410 CZ ARG A 52 43.556 18.061 31.914 1.00 29.41 C ATOM 411 NH1 ARG A 52 43.638 19.216 32.571 1.00 38.68 N ATOM 412 NH2 ARG A 52 44.355 17.819 30.883 1.00 31.58 N ATOM 413 N ASN A 53 39.804 21.421 34.128 1.00 31.25 N ATOM 414 CA ASN A 53 40.349 22.665 33.671 1.00 37.47 C ATOM 415 C ASN A 53 41.596 22.340 32.886 1.00 22.22 C ATOM 416 O ASN A 53 42.597 21.903 33.433 1.00 35.57 O ATOM 417 CB ASN A 53 40.617 23.582 34.865 1.00 41.62 C ATOM 418 CG ASN A 53 39.833 24.843 34.640 1.00100.00 C ATOM 419 OD1 ASN A 53 38.642 24.918 34.983 1.00100.00 O ATOM 420 ND2 ASN A 53 40.473 25.794 33.958 1.00 48.69 N ATOM 421 N THR A 54 41.530 22.450 31.581 1.00 30.66 N ATOM 422 CA THR A 54 42.673 21.993 30.811 1.00 25.09 C ATOM 423 C THR A 54 43.569 23.059 30.256 1.00 42.51 C ATOM 424 O THR A 54 44.620 22.722 29.726 1.00 44.03 O ATOM 425 CB THR A 54 42.194 21.203 29.582 1.00 36.19 C ATOM 426 OG1 THR A 54 41.544 22.104 28.694 1.00 31.34 O ATOM 427 CG2 THR A 54 41.248 20.076 29.976 1.00 30.92 C ATOM 428 N ASN A 55 43.132 24.318 30.282 1.00 29.82 N ATOM 429 CA ASN A 55 43.930 25.369 29.703 1.00 53.27 C ATOM 430 C ASN A 55 44.266 25.125 28.211 1.00 44.53 C ATOM 431 O ASN A 55 45.277 25.624 27.717 1.00 52.95 O ATOM 432 CB ASN A 55 45.198 25.710 30.548 1.00 38.01 C ATOM 433 CG ASN A 55 45.640 27.168 30.429 1.00 81.69 C ATOM 434 OD1 ASN A 55 44.880 28.050 29.972 1.00 47.75 O ATOM 435 ND2 ASN A 55 46.881 27.425 30.834 1.00 85.41 N ATOM 436 N GLY A 56 43.444 24.368 27.476 1.00 25.34 N ATOM 437 CA GLY A 56 43.688 24.140 26.043 1.00 20.76 C ATOM 438 C GLY A 56 44.608 22.979 25.690 1.00 20.63 C ATOM 439 O GLY A 56 44.972 22.760 24.530 1.00 32.68 O ATOM 440 N VAL A 57 44.985 22.200 26.675 1.00 28.75 N ATOM 441 CA VAL A 57 45.865 21.085 26.397 1.00 15.36 C ATOM 442 C VAL A 57 45.385 19.792 27.066 1.00 20.87 C ATOM 443 O VAL A 57 44.961 19.806 28.208 1.00 25.39 O ATOM 444 CB VAL A 57 47.206 21.444 26.951 1.00 37.48 C ATOM 445 CG1 VAL A 57 48.165 20.279 26.722 1.00 23.75 C ATOM 446 CG2 VAL A 57 47.664 22.721 26.263 1.00 46.99 C ATOM 447 N ILE A 58 45.460 18.674 26.351 1.00 27.01 N ATOM 448 CA ILE A 58 45.013 17.386 26.861 1.00 19.99 C ATOM 449 C ILE A 58 46.117 16.352 26.671 1.00 32.03 C ATOM 450 O ILE A 58 47.082 16.572 25.940 1.00 25.57 O ATOM 451 CB ILE A 58 43.731 16.917 26.122 1.00 21.33 C ATOM 452 CG1 ILE A 58 44.013 16.726 24.625 1.00 21.96 C ATOM 453 CG2 ILE A 58 42.550 17.893 26.282 1.00 21.95 C ATOM 454 CD1 ILE A 58 42.897 15.960 23.911 1.00 20.38 C ATOM 455 N THR A 59 45.971 15.204 27.318 1.00 19.66 N ATOM 456 CA THR A 59 46.924 14.139 27.175 1.00 18.15 C ATOM 457 C THR A 59 46.426 13.207 26.070 1.00 25.44 C ATOM 458 O THR A 59 45.252 13.275 25.695 1.00 24.72 O ATOM 459 CB THR A 59 46.935 13.303 28.468 1.00 41.91 C ATOM 460 OG1 THR A 59 45.683 12.658 28.549 1.00 26.38 O ATOM 461 CG2 THR A 59 47.140 14.178 29.698 1.00 32.89 C ATOM 462 N LYS A 60 47.312 12.304 25.627 1.00 31.20 N ATOM 463 CA LYS A 60 47.044 11.279 24.624 1.00 21.91 C ATOM 464 C LYS A 60 45.853 10.413 24.985 1.00 22.33 C ATOM 465 O LYS A 60 45.000 10.126 24.149 1.00 22.87 O ATOM 466 CB LYS A 60 48.264 10.375 24.418 1.00 25.17 C ATOM 467 CG LYS A 60 48.134 9.381 23.263 1.00 61.96 C ATOM 468 CD LYS A 60 49.373 9.367 22.372 1.00 56.89 C ATOM 469 CE LYS A 60 49.392 8.286 21.299 1.00100.00 C ATOM 470 NZ LYS A 60 50.302 8.600 20.186 1.00 89.03 N ATOM 471 N ASP A 61 45.798 9.985 26.257 1.00 22.94 N ATOM 472 CA ASP A 61 44.692 9.162 26.739 1.00 22.71 C ATOM 473 C ASP A 61 43.351 9.879 26.573 1.00 19.66 C ATOM 474 O ASP A 61 42.364 9.257 26.170 1.00 17.33 O ATOM 475 CB ASP A 61 44.860 8.772 28.218 1.00 23.74 C ATOM 476 CG ASP A 61 46.010 7.850 28.507 1.00 64.79 C ATOM 477 OD1 ASP A 61 46.549 7.332 27.429 1.00 82.49 O ATOM 478 OD2 ASP A 61 46.395 7.611 29.640 1.00100.00 O ATOM 479 N GLU A 62 43.329 11.180 26.959 1.00 22.30 N ATOM 480 CA GLU A 62 42.158 12.046 26.850 1.00 14.66 C ATOM 481 C GLU A 62 41.762 12.172 25.401 1.00 20.02 C ATOM 482 O GLU A 62 40.598 12.098 25.053 1.00 22.69 O ATOM 483 CB GLU A 62 42.462 13.410 27.433 1.00 14.95 C ATOM 484 CG GLU A 62 42.434 13.304 28.964 1.00 16.28 C ATOM 485 CD GLU A 62 42.845 14.575 29.635 1.00 25.29 C ATOM 486 OE1 GLU A 62 43.515 15.428 29.091 1.00 24.53 O ATOM 487 OE2 GLU A 62 42.401 14.664 30.851 1.00 25.80 O ATOM 488 N ALA A 63 42.773 12.281 24.542 1.00 19.88 N ATOM 489 CA ALA A 63 42.526 12.356 23.118 1.00 20.78 C ATOM 490 C ALA A 63 41.857 11.089 22.591 1.00 19.02 C ATOM 491 O ALA A 63 40.894 11.136 21.789 1.00 20.98 O ATOM 492 CB ALA A 63 43.825 12.623 22.372 1.00 19.53 C ATOM 493 N GLU A 64 42.398 9.951 23.037 1.00 15.76 N ATOM 494 CA GLU A 64 41.887 8.665 22.632 1.00 11.48 C ATOM 495 C GLU A 64 40.507 8.411 23.140 1.00 14.74 C ATOM 496 O GLU A 64 39.676 7.792 22.457 1.00 17.41 O ATOM 497 CB GLU A 64 42.872 7.539 22.941 1.00 21.49 C ATOM 498 CG GLU A 64 43.980 7.577 21.875 1.00 27.26 C ATOM 499 CD GLU A 64 45.236 6.865 22.272 1.00 33.61 C ATOM 500 OE1 GLU A 64 45.352 6.259 23.329 1.00 89.79 O ATOM 501 OE2 GLU A 64 46.181 6.972 21.361 1.00 71.20 O ATOM 502 N LYS A 65 40.257 8.925 24.335 1.00 15.72 N ATOM 503 CA LYS A 65 38.937 8.763 24.887 1.00 19.29 C ATOM 504 C LYS A 65 37.887 9.505 24.061 1.00 17.36 C ATOM 505 O LYS A 65 36.848 8.931 23.711 1.00 19.52 O ATOM 506 CB LYS A 65 38.853 9.156 26.322 1.00 21.86 C ATOM 507 CG LYS A 65 37.511 8.710 26.824 1.00 40.49 C ATOM 508 CD LYS A 65 37.406 8.658 28.318 1.00 81.41 C ATOM 509 CE LYS A 65 35.980 8.342 28.699 1.00 98.24 C ATOM 510 NZ LYS A 65 35.774 8.349 30.144 1.00 56.20 N ATOM 511 N LEU A 66 38.187 10.777 23.709 1.00 25.06 N ATOM 512 CA LEU A 66 37.290 11.565 22.859 1.00 11.34 C ATOM 513 C LEU A 66 37.071 10.830 21.542 1.00 13.54 C ATOM 514 O LEU A 66 35.946 10.688 21.066 1.00 13.64 O ATOM 515 CB LEU A 66 37.774 13.021 22.537 1.00 11.67 C ATOM 516 CG LEU A 66 37.863 13.971 23.732 1.00 23.23 C ATOM 517 CD1 LEU A 66 38.558 15.272 23.302 1.00 14.38 C ATOM 518 CD2 LEU A 66 36.472 14.255 24.300 1.00 20.69 C ATOM 519 N PHE A 67 38.183 10.336 20.980 1.00 15.25 N ATOM 520 CA PHE A 67 38.165 9.593 19.743 1.00 12.89 C ATOM 521 C PHE A 67 37.243 8.383 19.848 1.00 14.63 C ATOM 522 O PHE A 67 36.429 8.189 18.968 1.00 15.21 O ATOM 523 CB PHE A 67 39.584 9.194 19.348 1.00 14.91 C ATOM 524 CG PHE A 67 39.746 8.556 17.973 1.00 21.80 C ATOM 525 CD1 PHE A 67 39.008 9.013 16.880 1.00 18.34 C ATOM 526 CD2 PHE A 67 40.678 7.536 17.777 1.00 12.01 C ATOM 527 CE1 PHE A 67 39.171 8.487 15.598 1.00 18.08 C ATOM 528 CE2 PHE A 67 40.888 7.026 16.501 1.00 18.96 C ATOM 529 CZ PHE A 67 40.128 7.488 15.421 1.00 13.66 C ATOM 530 N ASN A 68 37.361 7.582 20.926 1.00 16.35 N ATOM 531 CA ASN A 68 36.483 6.427 21.106 1.00 15.02 C ATOM 532 C ASN A 68 35.012 6.838 21.128 1.00 20.87 C ATOM 533 O ASN A 68 34.126 6.202 20.557 1.00 24.21 O ATOM 534 CB ASN A 68 36.785 5.659 22.406 1.00 23.46 C ATOM 535 CG ASN A 68 37.962 4.718 22.241 1.00 49.91 C ATOM 536 OD1 ASN A 68 38.084 4.050 21.221 1.00 32.79 O ATOM 537 ND2 ASN A 68 38.856 4.690 23.219 1.00 29.67 N ATOM 538 N GLN A 69 34.721 7.915 21.821 1.00 12.87 N ATOM 539 CA GLN A 69 33.342 8.387 21.871 1.00 12.55 C ATOM 540 C GLN A 69 32.809 8.834 20.532 1.00 13.93 C ATOM 541 O GLN A 69 31.649 8.630 20.209 1.00 17.87 O ATOM 542 CB GLN A 69 33.238 9.591 22.791 1.00 17.30 C ATOM 543 CG GLN A 69 33.541 9.156 24.227 1.00 19.29 C ATOM 544 CD GLN A 69 33.663 10.323 25.198 1.00 43.25 C ATOM 545 OE1 GLN A 69 33.856 10.111 26.382 1.00 23.56 O ATOM 546 NE2 GLN A 69 33.547 11.563 24.722 1.00 16.75 N ATOM 547 N ASP A 70 33.660 9.531 19.773 1.00 15.39 N ATOM 548 CA ASP A 70 33.254 10.071 18.486 1.00 17.43 C ATOM 549 C ASP A 70 32.976 9.019 17.419 1.00 18.58 C ATOM 550 O ASP A 70 32.090 9.204 16.582 1.00 14.46 O ATOM 551 CB ASP A 70 34.256 11.127 17.963 1.00 11.74 C ATOM 552 CG ASP A 70 34.279 12.393 18.777 1.00 15.89 C ATOM 553 OD1 ASP A 70 33.414 12.722 19.558 1.00 20.66 O ATOM 554 OD2 ASP A 70 35.346 13.093 18.566 1.00 15.16 O ATOM 555 N VAL A 71 33.751 7.920 17.421 1.00 18.50 N ATOM 556 CA VAL A 71 33.559 6.842 16.433 1.00 19.24 C ATOM 557 C VAL A 71 32.224 6.183 16.721 1.00 14.55 C ATOM 558 O VAL A 71 31.362 6.030 15.854 1.00 17.79 O ATOM 559 CB VAL A 71 34.693 5.816 16.417 1.00 16.55 C ATOM 560 CG1 VAL A 71 34.277 4.599 15.608 1.00 17.29 C ATOM 561 CG2 VAL A 71 35.963 6.413 15.825 1.00 12.89 C ATOM 562 N ASP A 72 32.038 5.885 17.991 1.00 14.93 N ATOM 563 CA ASP A 72 30.796 5.316 18.498 1.00 18.54 C ATOM 564 C ASP A 72 29.565 6.156 18.133 1.00 21.72 C ATOM 565 O ASP A 72 28.571 5.695 17.570 1.00 19.49 O ATOM 566 CB ASP A 72 30.913 5.172 20.012 1.00 14.19 C ATOM 567 CG ASP A 72 29.947 4.152 20.527 1.00 38.77 C ATOM 568 OD1 ASP A 72 29.894 3.090 19.780 1.00 74.99 O ATOM 569 OD2 ASP A 72 29.276 4.307 21.509 1.00 33.41 O ATOM 570 N ALA A 73 29.641 7.425 18.452 1.00 22.32 N ATOM 571 CA ALA A 73 28.584 8.341 18.127 1.00 25.72 C ATOM 572 C ALA A 73 28.370 8.335 16.622 1.00 27.29 C ATOM 573 O ALA A 73 27.235 8.395 16.159 1.00 25.78 O ATOM 574 CB ALA A 73 28.968 9.741 18.570 1.00 25.35 C ATOM 575 N ALA A 74 29.466 8.279 15.840 1.00 19.35 N ATOM 576 CA ALA A 74 29.320 8.267 14.373 1.00 21.41 C ATOM 577 C ALA A 74 28.511 7.049 13.908 1.00 26.71 C ATOM 578 O ALA A 74 27.567 7.147 13.138 1.00 17.66 O ATOM 579 CB ALA A 74 30.648 8.345 13.644 1.00 15.18 C ATOM 580 N VAL A 75 28.875 5.879 14.397 1.00 18.52 N ATOM 581 CA VAL A 75 28.157 4.662 14.048 1.00 34.76 C ATOM 582 C VAL A 75 26.642 4.742 14.399 1.00 29.52 C ATOM 583 O VAL A 75 25.753 4.466 13.557 1.00 26.22 O ATOM 584 CB VAL A 75 28.842 3.395 14.609 1.00 26.57 C ATOM 585 CG1 VAL A 75 28.074 2.140 14.153 1.00 23.01 C ATOM 586 CG2 VAL A 75 30.289 3.328 14.116 1.00 22.48 C ATOM 587 N ARG A 76 26.365 5.158 15.646 1.00 26.93 N ATOM 588 CA ARG A 76 25.011 5.300 16.159 1.00 31.57 C ATOM 589 C ARG A 76 24.175 6.325 15.344 1.00 29.12 C ATOM 590 O ARG A 76 22.994 6.130 15.042 1.00 37.88 O ATOM 591 CB ARG A 76 25.003 5.395 17.697 1.00 13.21 C ATOM 592 CG ARG A 76 25.368 4.057 18.370 1.00 34.02 C ATOM 593 CD ARG A 76 25.426 4.092 19.916 1.00 45.67 C ATOM 594 NE ARG A 76 26.562 4.843 20.421 1.00 88.90 N ATOM 595 CZ ARG A 76 26.507 6.136 20.730 1.00100.00 C ATOM 596 NH1 ARG A 76 25.382 6.837 20.600 1.00100.00 N ATOM 597 NH2 ARG A 76 27.603 6.761 21.166 1.00 50.79 N ATOM 598 N GLY A 77 24.813 7.402 14.883 1.00 18.81 N ATOM 599 CA GLY A 77 24.114 8.359 14.038 1.00 25.66 C ATOM 600 C GLY A 77 23.700 7.699 12.730 1.00 28.70 C ATOM 601 O GLY A 77 22.611 7.888 12.241 1.00 27.63 O ATOM 602 N ILE A 78 24.592 6.919 12.149 1.00 16.26 N ATOM 603 CA ILE A 78 24.247 6.208 10.952 1.00 30.27 C ATOM 604 C ILE A 78 23.085 5.254 11.256 1.00 24.09 C ATOM 605 O ILE A 78 22.062 5.220 10.571 1.00 23.09 O ATOM 606 CB ILE A 78 25.441 5.385 10.408 1.00 21.68 C ATOM 607 CG1 ILE A 78 26.455 6.266 9.661 1.00 17.75 C ATOM 608 CG2 ILE A 78 24.933 4.298 9.454 1.00 22.48 C ATOM 609 CD1 ILE A 78 27.809 5.544 9.534 1.00 21.24 C ATOM 610 N LEU A 79 23.220 4.441 12.301 1.00 22.22 N ATOM 611 CA LEU A 79 22.162 3.484 12.575 1.00 21.10 C ATOM 612 C LEU A 79 20.792 4.068 12.870 1.00 35.05 C ATOM 613 O LEU A 79 19.785 3.395 12.682 1.00 36.92 O ATOM 614 CB LEU A 79 22.555 2.376 13.548 1.00 17.23 C ATOM 615 CG LEU A 79 23.788 1.620 13.111 1.00 22.97 C ATOM 616 CD1 LEU A 79 24.184 0.732 14.271 1.00 19.01 C ATOM 617 CD2 LEU A 79 23.490 0.783 11.875 1.00 27.41 C ATOM 618 N ARG A 80 20.764 5.317 13.340 1.00 28.53 N ATOM 619 CA ARG A 80 19.538 6.046 13.698 1.00 24.66 C ATOM 620 C ARG A 80 18.939 6.796 12.543 1.00 42.44 C ATOM 621 O ARG A 80 17.824 7.289 12.623 1.00 35.45 O ATOM 622 CB ARG A 80 19.870 7.145 14.687 1.00 37.22 C ATOM 623 CG ARG A 80 19.987 6.650 16.096 1.00 54.10 C ATOM 624 CD ARG A 80 19.717 7.757 17.104 1.00100.00 C ATOM 625 NE ARG A 80 20.938 8.140 17.785 1.00100.00 N ATOM 626 CZ ARG A 80 21.699 9.171 17.425 1.00100.00 C ATOM 627 NH1 ARG A 80 21.397 9.975 16.394 1.00 42.83 N ATOM 628 NH2 ARG A 80 22.801 9.385 18.120 1.00 48.12 N ATOM 629 N ASN A 81 19.730 6.971 11.508 1.00 19.85 N ATOM 630 CA ASN A 81 19.289 7.729 10.380 1.00 17.42 C ATOM 631 C ASN A 81 18.554 6.892 9.329 1.00 56.20 C ATOM 632 O ASN A 81 19.086 5.941 8.766 1.00 40.51 O ATOM 633 CB ASN A 81 20.473 8.493 9.816 1.00 21.30 C ATOM 634 CG ASN A 81 20.025 9.486 8.788 1.00 39.12 C ATOM 635 OD1 ASN A 81 19.372 9.114 7.815 1.00 41.85 O ATOM 636 ND2 ASN A 81 20.334 10.753 9.015 1.00 33.71 N ATOM 637 N ALA A 82 17.299 7.239 9.068 1.00 27.37 N ATOM 638 CA ALA A 82 16.503 6.468 8.115 1.00 29.47 C ATOM 639 C ALA A 82 17.049 6.437 6.704 1.00 26.20 C ATOM 640 O ALA A 82 16.814 5.493 5.975 1.00 35.59 O ATOM 641 CB ALA A 82 15.034 6.840 8.143 1.00 25.93 C ATOM 642 N LYS A 83 17.777 7.465 6.303 1.00 26.55 N ATOM 643 CA LYS A 83 18.366 7.504 4.970 1.00 31.67 C ATOM 644 C LYS A 83 19.706 6.788 4.898 1.00 24.49 C ATOM 645 O LYS A 83 20.104 6.301 3.845 1.00 30.19 O ATOM 646 CB LYS A 83 18.630 8.925 4.509 1.00 42.58 C ATOM 647 CG LYS A 83 17.483 9.553 3.754 1.00 72.46 C ATOM 648 CD LYS A 83 16.532 10.265 4.697 1.00100.00 C ATOM 649 CE LYS A 83 15.575 11.195 3.968 1.00100.00 C ATOM 650 NZ LYS A 83 15.547 10.980 2.507 1.00100.00 N ATOM 651 N LEU A 84 20.444 6.781 6.002 1.00 28.42 N ATOM 652 CA LEU A 84 21.778 6.189 6.000 1.00 32.20 C ATOM 653 C LEU A 84 21.808 4.678 6.305 1.00 15.82 C ATOM 654 O LEU A 84 22.561 3.919 5.712 1.00 24.82 O ATOM 655 CB LEU A 84 22.736 6.946 6.960 1.00 17.77 C ATOM 656 CG LEU A 84 22.937 8.420 6.623 1.00 26.26 C ATOM 657 CD1 LEU A 84 23.885 9.039 7.652 1.00 20.83 C ATOM 658 CD2 LEU A 84 23.552 8.536 5.237 1.00 22.71 C ATOM 659 N LYS A 85 21.000 4.276 7.273 1.00 18.53 N ATOM 660 CA LYS A 85 20.943 2.915 7.721 1.00 16.88 C ATOM 661 C LYS A 85 20.847 1.816 6.660 1.00 16.55 C ATOM 662 O LYS A 85 21.587 0.818 6.695 1.00 16.90 O ATOM 663 CB LYS A 85 19.945 2.741 8.841 1.00 22.73 C ATOM 664 CG LYS A 85 20.019 1.315 9.349 1.00 22.44 C ATOM 665 CD LYS A 85 19.281 1.081 10.646 1.00 26.97 C ATOM 666 CE LYS A 85 19.231 -0.393 10.967 1.00 28.52 C ATOM 667 NZ LYS A 85 18.413 -1.099 9.986 1.00 51.85 N ATOM 668 N PRO A 86 19.907 1.954 5.740 1.00 20.80 N ATOM 669 CA PRO A 86 19.709 0.969 4.681 1.00 44.79 C ATOM 670 C PRO A 86 20.944 0.846 3.802 1.00 21.99 C ATOM 671 O PRO A 86 21.346 -0.250 3.443 1.00 19.98 O ATOM 672 CB PRO A 86 18.498 1.426 3.856 1.00 30.45 C ATOM 673 CG PRO A 86 17.882 2.611 4.606 1.00 40.06 C ATOM 674 CD PRO A 86 18.851 2.997 5.724 1.00 23.35 C ATOM 675 N VAL A 87 21.559 1.984 3.477 1.00 16.40 N ATOM 676 CA VAL A 87 22.779 1.970 2.685 1.00 21.58 C ATOM 677 C VAL A 87 23.918 1.259 3.429 1.00 15.70 C ATOM 678 O VAL A 87 24.570 0.348 2.941 1.00 18.50 O ATOM 679 CB VAL A 87 23.218 3.377 2.261 1.00 26.61 C ATOM 680 CG1 VAL A 87 24.347 3.243 1.235 1.00 17.57 C ATOM 681 CG2 VAL A 87 22.034 4.168 1.691 1.00 19.39 C ATOM 682 N TYR A 88 24.139 1.675 4.660 1.00 11.72 N ATOM 683 CA TYR A 88 25.151 1.117 5.524 1.00 17.40 C ATOM 684 C TYR A 88 25.037 -0.417 5.685 1.00 27.45 C ATOM 685 O TYR A 88 26.044 -1.148 5.632 1.00 22.16 O ATOM 686 CB TYR A 88 25.041 1.855 6.891 1.00 13.28 C ATOM 687 CG TYR A 88 26.129 1.464 7.843 1.00 21.29 C ATOM 688 CD1 TYR A 88 27.389 2.057 7.778 1.00 17.25 C ATOM 689 CD2 TYR A 88 25.917 0.475 8.804 1.00 22.51 C ATOM 690 CE1 TYR A 88 28.408 1.697 8.660 1.00 20.79 C ATOM 691 CE2 TYR A 88 26.922 0.110 9.700 1.00 43.16 C ATOM 692 CZ TYR A 88 28.171 0.729 9.638 1.00 23.05 C ATOM 693 OH TYR A 88 29.176 0.343 10.506 1.00 27.73 O ATOM 694 N ASP A 89 23.782 -0.882 5.893 1.00 21.82 N ATOM 695 CA ASP A 89 23.466 -2.311 6.083 1.00 13.88 C ATOM 696 C ASP A 89 23.774 -3.073 4.843 1.00 18.43 C ATOM 697 O ASP A 89 24.144 -4.220 4.905 1.00 17.43 O ATOM 698 CB ASP A 89 21.984 -2.545 6.424 1.00 25.60 C ATOM 699 CG ASP A 89 21.714 -2.291 7.869 1.00 24.51 C ATOM 700 OD1 ASP A 89 22.790 -2.075 8.562 1.00 23.23 O ATOM 701 OD2 ASP A 89 20.615 -2.281 8.329 1.00 28.70 O ATOM 702 N SER A 90 23.623 -2.418 3.708 1.00 13.20 N ATOM 703 CA SER A 90 23.911 -3.101 2.471 1.00 12.12 C ATOM 704 C SER A 90 25.388 -3.315 2.208 1.00 15.48 C ATOM 705 O SER A 90 25.780 -4.113 1.337 1.00 16.42 O ATOM 706 CB SER A 90 23.274 -2.399 1.263 1.00 18.74 C ATOM 707 OG SER A 90 24.033 -1.257 0.848 1.00 16.30 O ATOM 708 N LEU A 91 26.234 -2.558 2.896 1.00 11.51 N ATOM 709 CA LEU A 91 27.684 -2.597 2.589 1.00 14.46 C ATOM 710 C LEU A 91 28.479 -3.692 3.236 1.00 21.75 C ATOM 711 O LEU A 91 28.106 -4.174 4.306 1.00 16.67 O ATOM 712 CB LEU A 91 28.358 -1.282 3.046 1.00 10.52 C ATOM 713 CG LEU A 91 27.800 -0.013 2.373 1.00 18.70 C ATOM 714 CD1 LEU A 91 28.394 1.233 3.034 1.00 20.68 C ATOM 715 CD2 LEU A 91 28.225 -0.036 0.901 1.00 15.07 C ATOM 716 N ASP A 92 29.638 -4.001 2.637 1.00 14.50 N ATOM 717 CA ASP A 92 30.570 -4.929 3.263 1.00 9.63 C ATOM 718 C ASP A 92 31.375 -4.180 4.365 1.00 20.30 C ATOM 719 O ASP A 92 31.286 -2.973 4.519 1.00 14.77 O ATOM 720 CB ASP A 92 31.570 -5.521 2.292 1.00 12.00 C ATOM 721 CG ASP A 92 32.340 -4.436 1.614 1.00 25.31 C ATOM 722 OD1 ASP A 92 31.669 -3.914 0.623 1.00 17.16 O ATOM 723 OD2 ASP A 92 33.435 -4.058 1.970 1.00 15.88 O ATOM 724 N ALA A 93 32.181 -4.898 5.124 1.00 16.69 N ATOM 725 CA ALA A 93 32.938 -4.332 6.233 1.00 16.60 C ATOM 726 C ALA A 93 33.950 -3.221 5.930 1.00 20.46 C ATOM 727 O ALA A 93 34.065 -2.294 6.709 1.00 19.11 O ATOM 728 CB ALA A 93 33.398 -5.361 7.267 1.00 25.58 C ATOM 729 N VAL A 94 34.677 -3.316 4.827 1.00 14.58 N ATOM 730 CA VAL A 94 35.621 -2.285 4.450 1.00 20.35 C ATOM 731 C VAL A 94 34.865 -0.986 4.084 1.00 16.44 C ATOM 732 O VAL A 94 35.141 0.098 4.592 1.00 18.04 O ATOM 733 CB VAL A 94 36.591 -2.786 3.360 1.00 20.00 C ATOM 734 CG1 VAL A 94 37.584 -1.694 2.890 1.00 12.72 C ATOM 735 CG2 VAL A 94 37.391 -3.957 3.955 1.00 17.29 C ATOM 736 N ARG A 95 33.877 -1.112 3.205 1.00 16.13 N ATOM 737 CA ARG A 95 33.057 0.003 2.766 1.00 18.34 C ATOM 738 C ARG A 95 32.322 0.629 3.917 1.00 16.69 C ATOM 739 O ARG A 95 32.102 1.840 3.947 1.00 19.31 O ATOM 740 CB ARG A 95 32.123 -0.360 1.611 1.00 10.71 C ATOM 741 CG ARG A 95 32.908 -0.706 0.358 1.00 9.17 C ATOM 742 CD ARG A 95 31.974 -1.064 -0.781 1.00 13.72 C ATOM 743 NE ARG A 95 32.654 -1.163 -2.056 1.00 15.21 N ATOM 744 CZ ARG A 95 33.124 -2.305 -2.552 1.00 15.67 C ATOM 745 NH1 ARG A 95 33.001 -3.467 -1.884 1.00 17.38 N ATOM 746 NH2 ARG A 95 33.754 -2.273 -3.733 1.00 16.81 N ATOM 747 N ARG A 96 31.948 -0.180 4.899 1.00 15.75 N ATOM 748 CA ARG A 96 31.299 0.408 6.066 1.00 17.82 C ATOM 749 C ARG A 96 32.250 1.391 6.778 1.00 17.29 C ATOM 750 O ARG A 96 31.824 2.415 7.297 1.00 16.30 O ATOM 751 CB ARG A 96 30.787 -0.623 7.049 1.00 15.00 C ATOM 752 CG ARG A 96 29.587 -1.370 6.531 1.00 15.25 C ATOM 753 CD ARG A 96 29.034 -2.348 7.568 1.00 19.44 C ATOM 754 NE ARG A 96 27.897 -3.095 7.023 1.00 24.12 N ATOM 755 CZ ARG A 96 27.236 -4.058 7.634 1.00 36.07 C ATOM 756 NH1 ARG A 96 27.551 -4.415 8.855 1.00 27.73 N ATOM 757 NH2 ARG A 96 26.223 -4.669 7.000 1.00 19.51 N ATOM 758 N ALA A 97 33.545 1.081 6.794 1.00 12.09 N ATOM 759 CA ALA A 97 34.514 1.963 7.426 1.00 12.23 C ATOM 760 C ALA A 97 34.568 3.295 6.640 1.00 10.15 C ATOM 761 O ALA A 97 34.682 4.376 7.229 1.00 16.72 O ATOM 762 CB ALA A 97 35.891 1.282 7.469 1.00 9.70 C ATOM 763 N ALA A 98 34.470 3.211 5.299 1.00 12.70 N ATOM 764 CA ALA A 98 34.469 4.430 4.496 1.00 11.80 C ATOM 765 C ALA A 98 33.248 5.294 4.842 1.00 19.49 C ATOM 766 O ALA A 98 33.316 6.531 4.864 1.00 16.39 O ATOM 767 CB ALA A 98 34.543 4.153 2.990 1.00 10.43 C ATOM 768 N ALA A 99 32.116 4.653 5.086 1.00 10.22 N ATOM 769 CA ALA A 99 30.915 5.386 5.412 1.00 10.61 C ATOM 770 C ALA A 99 31.067 6.087 6.733 1.00 11.60 C ATOM 771 O ALA A 99 30.606 7.206 6.887 1.00 16.32 O ATOM 772 CB ALA A 99 29.678 4.452 5.471 1.00 13.70 C ATOM 773 N ILE A 100 31.671 5.403 7.686 1.00 12.58 N ATOM 774 CA ILE A 100 31.858 5.948 9.025 1.00 10.80 C ATOM 775 C ILE A 100 32.767 7.177 8.951 1.00 19.53 C ATOM 776 O ILE A 100 32.554 8.215 9.608 1.00 18.59 O ATOM 777 CB ILE A 100 32.380 4.905 10.032 1.00 15.60 C ATOM 778 CG1 ILE A 100 31.350 3.779 10.288 1.00 10.92 C ATOM 779 CG2 ILE A 100 32.754 5.593 11.335 1.00 13.67 C ATOM 780 CD1 ILE A 100 31.886 2.561 11.067 1.00 11.84 C ATOM 781 N ASN A 101 33.778 7.051 8.100 1.00 14.84 N ATOM 782 CA ASN A 101 34.745 8.113 7.898 1.00 11.62 C ATOM 783 C ASN A 101 34.044 9.385 7.418 1.00 19.79 C ATOM 784 O ASN A 101 34.222 10.458 7.973 1.00 18.73 O ATOM 785 CB ASN A 101 35.823 7.605 6.927 1.00 10.84 C ATOM 786 CG ASN A 101 37.050 8.474 6.866 1.00 15.63 C ATOM 787 OD1 ASN A 101 36.928 9.678 6.759 1.00 18.55 O ATOM 788 ND2 ASN A 101 38.217 7.871 6.845 1.00 12.12 N ATOM 789 N MET A 102 33.207 9.269 6.408 1.00 11.67 N ATOM 790 CA MET A 102 32.482 10.437 5.912 1.00 15.76 C ATOM 791 C MET A 102 31.652 11.107 7.007 1.00 16.45 C ATOM 792 O MET A 102 31.627 12.325 7.138 1.00 15.82 O ATOM 793 CB MET A 102 31.493 10.044 4.783 1.00 20.97 C ATOM 794 CG MET A 102 32.186 9.795 3.473 1.00 21.80 C ATOM 795 SD MET A 102 31.029 9.536 2.114 1.00 24.03 S ATOM 796 CE MET A 102 30.616 11.266 1.757 1.00 20.46 C ATOM 797 N VAL A 103 30.911 10.279 7.770 1.00 15.38 N ATOM 798 CA VAL A 103 30.050 10.805 8.834 1.00 20.09 C ATOM 799 C VAL A 103 30.876 11.490 9.905 1.00 25.46 C ATOM 800 O VAL A 103 30.508 12.554 10.361 1.00 27.04 O ATOM 801 CB VAL A 103 29.070 9.786 9.420 1.00 14.00 C ATOM 802 CG1 VAL A 103 28.325 10.369 10.616 1.00 25.01 C ATOM 803 CG2 VAL A 103 28.034 9.392 8.379 1.00 20.89 C ATOM 804 N PHE A 104 32.005 10.889 10.293 1.00 19.14 N ATOM 805 CA PHE A 104 32.872 11.476 11.299 1.00 13.21 C ATOM 806 C PHE A 104 33.356 12.874 10.889 1.00 26.63 C ATOM 807 O PHE A 104 33.492 13.782 11.692 1.00 22.02 O ATOM 808 CB PHE A 104 34.093 10.567 11.468 1.00 18.09 C ATOM 809 CG PHE A 104 35.038 10.997 12.563 1.00 14.36 C ATOM 810 CD1 PHE A 104 36.003 11.977 12.336 1.00 14.41 C ATOM 811 CD2 PHE A 104 34.999 10.364 13.810 1.00 14.69 C ATOM 812 CE1 PHE A 104 36.871 12.333 13.368 1.00 17.24 C ATOM 813 CE2 PHE A 104 35.882 10.692 14.841 1.00 16.70 C ATOM 814 CZ PHE A 104 36.822 11.695 14.609 1.00 18.66 C ATOM 815 N GLN A 105 33.650 13.023 9.610 1.00 19.39 N ATOM 816 CA GLN A 105 34.162 14.256 9.042 1.00 23.77 C ATOM 817 C GLN A 105 33.095 15.272 8.780 1.00 23.01 C ATOM 818 O GLN A 105 33.281 16.440 9.018 1.00 20.36 O ATOM 819 CB GLN A 105 34.935 14.033 7.691 1.00 14.69 C ATOM 820 CG GLN A 105 35.501 15.346 7.065 1.00 18.90 C ATOM 821 CD GLN A 105 36.141 15.205 5.687 1.00 21.15 C ATOM 822 OE1 GLN A 105 36.077 14.150 5.074 1.00 24.98 O ATOM 823 NE2 GLN A 105 36.790 16.266 5.191 1.00 20.42 N ATOM 824 N MET A 106 32.010 14.863 8.196 1.00 20.44 N ATOM 825 CA MET A 106 31.069 15.847 7.804 1.00 15.04 C ATOM 826 C MET A 106 29.721 15.865 8.437 1.00 27.88 C ATOM 827 O MET A 106 28.908 16.705 8.099 1.00 25.88 O ATOM 828 CB MET A 106 31.086 16.037 6.273 1.00 19.27 C ATOM 829 CG MET A 106 30.357 15.016 5.452 1.00 27.03 C ATOM 830 SD MET A 106 30.843 15.240 3.731 1.00 46.54 S ATOM 831 CE MET A 106 32.340 14.236 3.744 1.00 50.12 C ATOM 832 N GLY A 107 29.518 14.974 9.370 1.00 20.92 N ATOM 833 CA GLY A 107 28.281 14.924 10.075 1.00 19.11 C ATOM 834 C GLY A 107 27.226 14.213 9.275 1.00 15.72 C ATOM 835 O GLY A 107 27.304 14.071 8.054 1.00 26.01 O ATOM 836 N GLU A 108 26.228 13.791 10.004 1.00 26.59 N ATOM 837 CA GLU A 108 25.158 13.030 9.436 1.00 35.89 C ATOM 838 C GLU A 108 24.253 13.778 8.467 1.00 39.35 C ATOM 839 O GLU A 108 23.744 13.200 7.509 1.00 32.42 O ATOM 840 CB GLU A 108 24.468 12.224 10.535 1.00 39.28 C ATOM 841 CG GLU A 108 23.001 12.550 10.767 1.00 61.51 C ATOM 842 CD GLU A 108 22.374 11.330 11.347 1.00 96.62 C ATOM 843 OE1 GLU A 108 23.242 10.349 11.437 1.00100.00 O ATOM 844 OE2 GLU A 108 21.201 11.247 11.660 1.00 84.48 O ATOM 845 N THR A 109 24.075 15.072 8.692 1.00 25.62 N ATOM 846 CA THR A 109 23.259 15.859 7.805 1.00 45.56 C ATOM 847 C THR A 109 23.964 15.971 6.476 1.00 48.67 C ATOM 848 O THR A 109 23.389 15.638 5.431 1.00 61.56 O ATOM 849 CB THR A 109 22.894 17.229 8.412 1.00 51.76 C ATOM 850 OG1 THR A 109 22.213 16.993 9.617 1.00 43.74 O ATOM 851 CG2 THR A 109 21.995 18.016 7.466 1.00 61.31 C ATOM 852 N GLY A 110 25.238 16.385 6.561 1.00 33.86 N ATOM 853 CA GLY A 110 26.111 16.517 5.408 1.00 55.47 C ATOM 854 C GLY A 110 25.994 15.316 4.475 1.00 36.88 C ATOM 855 O GLY A 110 25.535 15.453 3.347 1.00 43.16 O ATOM 856 N VAL A 111 26.355 14.128 4.981 1.00 40.30 N ATOM 857 CA VAL A 111 26.317 12.895 4.191 1.00 28.62 C ATOM 858 C VAL A 111 24.957 12.636 3.600 1.00 46.29 C ATOM 859 O VAL A 111 24.826 12.299 2.414 1.00 25.02 O ATOM 860 CB VAL A 111 26.731 11.704 5.034 1.00 25.41 C ATOM 861 CG1 VAL A 111 26.796 10.466 4.155 1.00 36.74 C ATOM 862 CG2 VAL A 111 28.130 11.955 5.548 1.00 28.84 C ATOM 863 N ALA A 112 23.976 12.774 4.495 1.00 42.64 N ATOM 864 CA ALA A 112 22.595 12.570 4.172 1.00 47.51 C ATOM 865 C ALA A 112 22.202 13.334 2.904 1.00100.00 C ATOM 866 O ALA A 112 21.379 12.863 2.115 1.00 55.37 O ATOM 867 CB ALA A 112 21.672 12.729 5.385 1.00 49.99 C ATOM 868 N GLY A 113 22.837 14.484 2.657 1.00 29.32 N ATOM 869 CA GLY A 113 22.543 15.217 1.431 1.00 53.98 C ATOM 870 C GLY A 113 23.127 14.606 0.127 1.00100.00 C ATOM 871 O GLY A 113 22.789 15.057 -0.964 1.00 55.73 O ATOM 872 N PHE A 114 23.995 13.596 0.218 1.00 38.08 N ATOM 873 CA PHE A 114 24.592 12.938 -0.946 1.00 20.64 C ATOM 874 C PHE A 114 23.669 11.855 -1.495 1.00 29.87 C ATOM 875 O PHE A 114 24.096 10.752 -1.801 1.00 24.83 O ATOM 876 CB PHE A 114 25.879 12.223 -0.533 1.00 18.14 C ATOM 877 CG PHE A 114 27.088 13.123 -0.412 1.00 31.89 C ATOM 878 CD1 PHE A 114 27.080 14.206 0.467 1.00 43.75 C ATOM 879 CD2 PHE A 114 28.224 12.890 -1.190 1.00 38.12 C ATOM 880 CE1 PHE A 114 28.186 15.047 0.571 1.00 29.74 C ATOM 881 CE2 PHE A 114 29.334 13.734 -1.112 1.00 28.63 C ATOM 882 CZ PHE A 114 29.315 14.801 -0.209 1.00 25.59 C ATOM 883 N THR A 115 22.407 12.167 -1.570 1.00 19.39 N ATOM 884 CA THR A 115 21.353 11.294 -2.035 1.00 17.42 C ATOM 885 C THR A 115 21.696 10.412 -3.188 1.00 29.53 C ATOM 886 O THR A 115 21.531 9.202 -3.096 1.00 21.55 O ATOM 887 CB THR A 115 20.169 12.161 -2.460 1.00 31.28 C ATOM 888 OG1 THR A 115 19.826 12.996 -1.386 1.00 43.21 O ATOM 889 CG2 THR A 115 19.009 11.268 -2.853 1.00 29.68 C ATOM 890 N ASN A 116 22.102 11.020 -4.293 1.00 20.83 N ATOM 891 CA ASN A 116 22.476 10.251 -5.512 1.00 23.34 C ATOM 892 C ASN A 116 23.616 9.208 -5.351 1.00 20.98 C ATOM 893 O ASN A 116 23.521 8.072 -5.847 1.00 17.39 O ATOM 894 CB ASN A 116 22.644 11.153 -6.773 1.00 21.56 C ATOM 895 CG ASN A 116 21.467 12.130 -6.953 1.00 28.62 C ATOM 896 OD1 ASN A 116 20.297 11.803 -6.700 1.00 49.06 O ATOM 897 ND2 ASN A 116 21.766 13.348 -7.368 1.00 22.96 N ATOM 898 N SER A 117 24.709 9.598 -4.676 1.00 18.36 N ATOM 899 CA SER A 117 25.830 8.698 -4.422 1.00 15.59 C ATOM 900 C SER A 117 25.350 7.542 -3.527 1.00 17.44 C ATOM 901 O SER A 117 25.763 6.411 -3.695 1.00 19.29 O ATOM 902 CB SER A 117 26.972 9.400 -3.670 1.00 15.80 C ATOM 903 OG SER A 117 27.352 10.631 -4.265 1.00 23.33 O ATOM 904 N LEU A 118 24.501 7.881 -2.536 1.00 21.74 N ATOM 905 CA LEU A 118 23.950 6.915 -1.595 1.00 23.84 C ATOM 906 C LEU A 118 23.189 5.836 -2.340 1.00 20.18 C ATOM 907 O LEU A 118 23.337 4.646 -2.087 1.00 19.59 O ATOM 908 CB LEU A 118 23.046 7.532 -0.493 1.00 21.21 C ATOM 909 CG LEU A 118 23.766 8.446 0.527 1.00 40.05 C ATOM 910 CD1 LEU A 118 22.774 9.060 1.516 1.00 27.80 C ATOM 911 CD2 LEU A 118 24.869 7.712 1.291 1.00 17.17 C ATOM 912 N ARG A 119 22.376 6.263 -3.264 1.00 17.40 N ATOM 913 CA ARG A 119 21.604 5.357 -4.096 1.00 27.08 C ATOM 914 C ARG A 119 22.542 4.481 -4.900 1.00 28.08 C ATOM 915 O ARG A 119 22.323 3.274 -5.031 1.00 19.46 O ATOM 916 CB ARG A 119 20.681 6.129 -5.026 1.00 20.78 C ATOM 917 CG ARG A 119 19.707 5.246 -5.799 1.00 41.04 C ATOM 918 CD ARG A 119 18.817 6.070 -6.730 1.00100.00 C ATOM 919 NE ARG A 119 19.473 6.359 -8.004 1.00100.00 N ATOM 920 CZ ARG A 119 20.127 7.491 -8.287 1.00100.00 C ATOM 921 NH1 ARG A 119 20.232 8.498 -7.409 1.00100.00 N ATOM 922 NH2 ARG A 119 20.693 7.606 -9.489 1.00100.00 N ATOM 923 N MET A 120 23.613 5.083 -5.427 1.00 19.07 N ATOM 924 CA MET A 120 24.554 4.280 -6.192 1.00 21.09 C ATOM 925 C MET A 120 25.305 3.257 -5.338 1.00 12.69 C ATOM 926 O MET A 120 25.561 2.120 -5.725 1.00 19.29 O ATOM 927 CB MET A 120 25.509 5.083 -7.086 1.00 21.77 C ATOM 928 CG MET A 120 24.833 5.864 -8.195 1.00 24.00 C ATOM 929 SD MET A 120 25.999 7.103 -8.814 1.00 28.61 S ATOM 930 CE MET A 120 24.889 8.421 -9.326 1.00 23.36 C ATOM 931 N LEU A 121 25.676 3.649 -4.150 1.00 19.43 N ATOM 932 CA LEU A 121 26.370 2.717 -3.311 1.00 23.03 C ATOM 933 C LEU A 121 25.443 1.514 -2.997 1.00 16.95 C ATOM 934 O LEU A 121 25.838 0.354 -3.072 1.00 18.39 O ATOM 935 CB LEU A 121 26.876 3.420 -2.033 1.00 18.77 C ATOM 936 CG LEU A 121 28.054 4.403 -2.265 1.00 18.13 C ATOM 937 CD1 LEU A 121 28.221 5.245 -0.994 1.00 15.21 C ATOM 938 CD2 LEU A 121 29.352 3.634 -2.542 1.00 16.85 C ATOM 939 N GLN A 122 24.188 1.810 -2.636 1.00 15.66 N ATOM 940 CA GLN A 122 23.240 0.771 -2.288 1.00 24.95 C ATOM 941 C GLN A 122 23.049 -0.244 -3.417 1.00 32.45 C ATOM 942 O GLN A 122 22.833 -1.445 -3.192 1.00 24.38 O ATOM 943 CB GLN A 122 21.906 1.341 -1.760 1.00 14.11 C ATOM 944 CG GLN A 122 20.846 0.220 -1.553 1.00 22.59 C ATOM 945 CD GLN A 122 19.769 0.572 -0.558 1.00100.00 C ATOM 946 OE1 GLN A 122 19.436 1.755 -0.384 1.00 44.87 O ATOM 947 NE2 GLN A 122 19.211 -0.458 0.081 1.00100.00 N ATOM 948 N GLN A 123 23.147 0.259 -4.646 1.00 19.90 N ATOM 949 CA GLN A 123 22.983 -0.575 -5.814 1.00 17.56 C ATOM 950 C GLN A 123 24.268 -1.218 -6.171 1.00 27.29 C ATOM 951 O GLN A 123 24.272 -1.958 -7.136 1.00 25.77 O ATOM 952 CB GLN A 123 22.542 0.219 -7.041 1.00 17.43 C ATOM 953 CG GLN A 123 21.159 0.868 -6.874 1.00 23.32 C ATOM 954 CD GLN A 123 20.730 1.622 -8.137 1.00 42.21 C ATOM 955 OE1 GLN A 123 20.420 1.021 -9.169 1.00 61.53 O ATOM 956 NE2 GLN A 123 20.703 2.946 -8.063 1.00 64.54 N ATOM 957 N LYS A 124 25.351 -0.897 -5.432 1.00 14.68 N ATOM 958 CA LYS A 124 26.660 -1.469 -5.726 1.00 12.66 C ATOM 959 C LYS A 124 27.241 -1.116 -7.074 1.00 13.52 C ATOM 960 O LYS A 124 28.011 -1.893 -7.658 1.00 17.57 O ATOM 961 CB LYS A 124 26.793 -2.991 -5.505 1.00 28.07 C ATOM 962 CG LYS A 124 26.125 -3.456 -4.224 1.00 21.60 C ATOM 963 CD LYS A 124 26.652 -4.752 -3.624 1.00 17.75 C ATOM 964 CE LYS A 124 26.038 -4.986 -2.257 1.00 14.53 C ATOM 965 NZ LYS A 124 26.773 -4.327 -1.167 1.00 27.71 N ATOM 966 N ARG A 125 26.943 0.081 -7.531 1.00 17.33 N ATOM 967 CA ARG A 125 27.512 0.600 -8.762 1.00 19.48 C ATOM 968 C ARG A 125 28.750 1.424 -8.358 1.00 26.23 C ATOM 969 O ARG A 125 28.710 2.658 -8.241 1.00 15.71 O ATOM 970 CB ARG A 125 26.449 1.454 -9.439 1.00 21.29 C ATOM 971 CG ARG A 125 25.361 0.581 -10.051 1.00 27.26 C ATOM 972 CD ARG A 125 24.078 1.375 -10.264 1.00 31.44 C ATOM 973 NE ARG A 125 23.407 1.090 -11.528 1.00 70.52 N ATOM 974 CZ ARG A 125 22.439 0.167 -11.661 1.00100.00 C ATOM 975 NH1 ARG A 125 22.016 -0.598 -10.641 1.00100.00 N ATOM 976 NH2 ARG A 125 21.890 -0.010 -12.864 1.00 74.44 N ATOM 977 N TRP A 126 29.852 0.711 -8.086 1.00 19.37 N ATOM 978 CA TRP A 126 31.070 1.321 -7.554 1.00 28.09 C ATOM 979 C TRP A 126 31.767 2.407 -8.324 1.00 26.44 C ATOM 980 O TRP A 126 32.077 3.466 -7.773 1.00 22.81 O ATOM 981 CB TRP A 126 32.050 0.366 -6.882 1.00 17.00 C ATOM 982 CG TRP A 126 31.398 -0.796 -6.176 1.00 16.42 C ATOM 983 CD1 TRP A 126 31.539 -2.093 -6.534 1.00 18.91 C ATOM 984 CD2 TRP A 126 30.602 -0.781 -4.973 1.00 19.54 C ATOM 985 NE1 TRP A 126 30.893 -2.885 -5.648 1.00 17.31 N ATOM 986 CE2 TRP A 126 30.328 -2.121 -4.664 1.00 16.98 C ATOM 987 CE3 TRP A 126 30.151 0.221 -4.102 1.00 14.67 C ATOM 988 CZ2 TRP A 126 29.629 -2.483 -3.500 1.00 14.21 C ATOM 989 CZ3 TRP A 126 29.398 -0.130 -2.993 1.00 20.97 C ATOM 990 CH2 TRP A 126 29.133 -1.475 -2.691 1.00 18.60 C ATOM 991 N ASP A 127 32.068 2.131 -9.569 1.00 17.71 N ATOM 992 CA ASP A 127 32.711 3.148 -10.355 1.00 15.37 C ATOM 993 C ASP A 127 31.799 4.344 -10.474 1.00 15.93 C ATOM 994 O ASP A 127 32.250 5.452 -10.351 1.00 22.85 O ATOM 995 CB ASP A 127 33.036 2.630 -11.745 1.00 21.99 C ATOM 996 CG ASP A 127 34.251 1.734 -11.723 1.00 25.66 C ATOM 997 OD1 ASP A 127 34.623 1.136 -10.738 1.00 40.65 O ATOM 998 OD2 ASP A 127 34.879 1.675 -12.862 1.00 60.09 O ATOM 999 N GLU A 128 30.496 4.127 -10.669 1.00 15.66 N ATOM 1000 CA GLU A 128 29.579 5.251 -10.776 1.00 19.13 C ATOM 1001 C GLU A 128 29.504 6.119 -9.550 1.00 31.74 C ATOM 1002 O GLU A 128 29.472 7.344 -9.646 1.00 21.94 O ATOM 1003 CB GLU A 128 28.195 4.816 -11.241 1.00 29.43 C ATOM 1004 CG GLU A 128 28.390 4.106 -12.581 1.00 27.75 C ATOM 1005 CD GLU A 128 27.194 3.379 -13.086 1.00100.00 C ATOM 1006 OE1 GLU A 128 26.134 4.145 -13.137 1.00 66.11 O ATOM 1007 OE2 GLU A 128 27.219 2.207 -13.431 1.00100.00 O ATOM 1008 N ALA A 129 29.451 5.460 -8.397 1.00 18.29 N ATOM 1009 CA ALA A 129 29.389 6.174 -7.135 1.00 23.28 C ATOM 1010 C ALA A 129 30.648 7.013 -6.932 1.00 15.56 C ATOM 1011 O ALA A 129 30.551 8.145 -6.463 1.00 20.07 O ATOM 1012 CB ALA A 129 29.191 5.197 -5.979 1.00 16.34 C ATOM 1013 N ALA A 130 31.799 6.433 -7.302 1.00 16.31 N ATOM 1014 CA ALA A 130 33.109 7.081 -7.163 1.00 16.19 C ATOM 1015 C ALA A 130 33.146 8.399 -7.936 1.00 31.29 C ATOM 1016 O ALA A 130 33.599 9.419 -7.421 1.00 23.14 O ATOM 1017 CB ALA A 130 34.246 6.144 -7.591 1.00 15.25 C ATOM 1018 N VAL A 131 32.631 8.362 -9.170 1.00 19.10 N ATOM 1019 CA VAL A 131 32.568 9.535 -10.023 1.00 17.12 C ATOM 1020 C VAL A 131 31.632 10.591 -9.396 1.00 29.02 C ATOM 1021 O VAL A 131 32.022 11.734 -9.252 1.00 31.60 O ATOM 1022 CB VAL A 131 32.210 9.167 -11.499 1.00 15.74 C ATOM 1023 CG1 VAL A 131 31.808 10.378 -12.316 1.00 20.51 C ATOM 1024 CG2 VAL A 131 33.413 8.500 -12.143 1.00 21.87 C ATOM 1025 N ASN A 132 30.418 10.188 -8.972 1.00 17.76 N ATOM 1026 CA ASN A 132 29.448 11.090 -8.354 1.00 16.96 C ATOM 1027 C ASN A 132 29.944 11.689 -7.019 1.00 18.62 C ATOM 1028 O ASN A 132 29.734 12.831 -6.665 1.00 20.88 O ATOM 1029 CB ASN A 132 28.075 10.413 -8.174 1.00 16.54 C ATOM 1030 CG ASN A 132 26.994 11.363 -7.664 1.00 22.25 C ATOM 1031 OD1 ASN A 132 26.778 11.580 -6.440 1.00 21.94 O ATOM 1032 ND2 ASN A 132 26.356 12.008 -8.622 1.00 22.83 N ATOM 1033 N LEU A 133 30.611 10.894 -6.231 1.00 13.61 N ATOM 1034 CA LEU A 133 31.109 11.391 -4.955 1.00 24.15 C ATOM 1035 C LEU A 133 32.102 12.558 -5.141 1.00 20.24 C ATOM 1036 O LEU A 133 32.170 13.440 -4.293 1.00 25.53 O ATOM 1037 CB LEU A 133 31.802 10.260 -4.091 1.00 18.11 C ATOM 1038 CG LEU A 133 30.867 9.261 -3.345 1.00 17.47 C ATOM 1039 CD1 LEU A 133 31.656 8.042 -2.823 1.00 17.98 C ATOM 1040 CD2 LEU A 133 30.146 9.942 -2.181 1.00 20.27 C ATOM 1041 N ALA A 134 32.898 12.510 -6.219 1.00 18.47 N ATOM 1042 CA ALA A 134 33.940 13.506 -6.525 1.00 23.44 C ATOM 1043 C ALA A 134 33.390 14.902 -6.886 1.00 15.10 C ATOM 1044 O ALA A 134 34.065 15.949 -6.779 1.00 17.46 O ATOM 1045 CB ALA A 134 34.949 12.926 -7.535 1.00 17.08 C ATOM 1046 N LYS A 135 32.132 14.933 -7.301 1.00 13.56 N ATOM 1047 CA LYS A 135 31.445 16.186 -7.670 1.00 18.04 C ATOM 1048 C LYS A 135 30.870 16.812 -6.450 1.00 19.38 C ATOM 1049 O LYS A 135 29.663 16.859 -6.296 1.00 22.29 O ATOM 1050 CB LYS A 135 30.271 15.908 -8.591 1.00 17.00 C ATOM 1051 CG LYS A 135 30.801 15.218 -9.819 1.00 27.09 C ATOM 1052 CD LYS A 135 29.820 15.211 -10.945 1.00 32.11 C ATOM 1053 CE LYS A 135 30.435 14.584 -12.171 1.00 80.06 C ATOM 1054 NZ LYS A 135 29.509 13.693 -12.873 1.00 68.83 N ATOM 1055 N SER A 136 31.754 17.257 -5.586 1.00 14.00 N ATOM 1056 CA SER A 136 31.329 17.779 -4.323 1.00 18.42 C ATOM 1057 C SER A 136 32.320 18.800 -3.753 1.00 9.62 C ATOM 1058 O SER A 136 33.536 18.787 -4.028 1.00 20.41 O ATOM 1059 CB SER A 136 31.168 16.588 -3.341 1.00 9.05 C ATOM 1060 OG SER A 136 32.431 15.899 -3.177 1.00 15.05 O ATOM 1061 N ARG A 137 31.773 19.670 -2.927 1.00 12.96 N ATOM 1062 CA ARG A 137 32.596 20.620 -2.223 1.00 21.62 C ATOM 1063 C ARG A 137 33.671 19.854 -1.431 1.00 18.76 C ATOM 1064 O ARG A 137 34.837 20.228 -1.399 1.00 21.10 O ATOM 1065 CB ARG A 137 31.735 21.464 -1.262 1.00 24.44 C ATOM 1066 CG ARG A 137 32.643 22.248 -0.307 1.00 24.11 C ATOM 1067 CD ARG A 137 31.966 23.346 0.500 1.00 24.09 C ATOM 1068 NE ARG A 137 32.910 24.255 1.187 1.00 32.98 N ATOM 1069 CZ ARG A 137 33.679 23.995 2.271 1.00 44.78 C ATOM 1070 NH1 ARG A 137 33.713 22.814 2.877 1.00 40.48 N ATOM 1071 NH2 ARG A 137 34.460 24.961 2.747 1.00 51.06 N ATOM 1072 N TRP A 138 33.226 18.736 -0.780 1.00 20.48 N ATOM 1073 CA TRP A 138 34.050 17.821 0.043 1.00 17.62 C ATOM 1074 C TRP A 138 35.341 17.427 -0.665 1.00 13.22 C ATOM 1075 O TRP A 138 36.447 17.574 -0.161 1.00 16.77 O ATOM 1076 CB TRP A 138 33.223 16.538 0.326 1.00 24.49 C ATOM 1077 CG TRP A 138 33.986 15.405 0.956 1.00 21.87 C ATOM 1078 CD1 TRP A 138 34.690 15.447 2.120 1.00 16.74 C ATOM 1079 CD2 TRP A 138 34.007 14.038 0.518 1.00 19.75 C ATOM 1080 NE1 TRP A 138 35.211 14.192 2.407 1.00 19.08 N ATOM 1081 CE2 TRP A 138 34.788 13.309 1.443 1.00 16.75 C ATOM 1082 CE3 TRP A 138 33.449 13.395 -0.578 1.00 13.25 C ATOM 1083 CZ2 TRP A 138 34.973 11.922 1.323 1.00 16.33 C ATOM 1084 CZ3 TRP A 138 33.673 12.037 -0.717 1.00 22.22 C ATOM 1085 CH2 TRP A 138 34.434 11.317 0.216 1.00 18.81 C ATOM 1086 N TYR A 139 35.158 16.957 -1.886 1.00 12.78 N ATOM 1087 CA TYR A 139 36.249 16.549 -2.711 1.00 13.42 C ATOM 1088 C TYR A 139 37.101 17.719 -3.076 1.00 60.46 C ATOM 1089 O TYR A 139 38.303 17.612 -3.090 1.00 21.07 O ATOM 1090 CB TYR A 139 35.709 15.984 -4.012 1.00 13.74 C ATOM 1091 CG TYR A 139 36.801 15.465 -4.900 1.00 23.17 C ATOM 1092 CD1 TYR A 139 37.320 14.190 -4.669 1.00 23.11 C ATOM 1093 CD2 TYR A 139 37.255 16.212 -5.991 1.00 25.29 C ATOM 1094 CE1 TYR A 139 38.293 13.646 -5.500 1.00 23.43 C ATOM 1095 CE2 TYR A 139 38.226 15.679 -6.836 1.00 37.37 C ATOM 1096 CZ TYR A 139 38.733 14.400 -6.583 1.00 61.07 C ATOM 1097 OH TYR A 139 39.681 13.875 -7.394 1.00 53.26 O ATOM 1098 N ASN A 140 36.466 18.813 -3.446 1.00 20.91 N ATOM 1099 CA ASN A 140 37.233 19.994 -3.832 1.00 15.56 C ATOM 1100 C ASN A 140 38.053 20.620 -2.689 1.00 18.76 C ATOM 1101 O ASN A 140 39.167 21.066 -2.901 1.00 25.65 O ATOM 1102 CB ASN A 140 36.359 20.998 -4.610 1.00 30.93 C ATOM 1103 CG ASN A 140 36.071 20.429 -5.985 1.00 30.98 C ATOM 1104 OD1 ASN A 140 34.988 19.870 -6.257 1.00 26.20 O ATOM 1105 ND2 ASN A 140 37.086 20.474 -6.839 1.00 31.37 N ATOM 1106 N GLN A 141 37.536 20.587 -1.464 1.00 11.47 N ATOM 1107 CA GLN A 141 38.214 21.127 -0.303 1.00 23.02 C ATOM 1108 C GLN A 141 39.312 20.253 0.284 1.00 31.48 C ATOM 1109 O GLN A 141 40.375 20.774 0.671 1.00 23.79 O ATOM 1110 CB GLN A 141 37.253 21.591 0.825 1.00 13.12 C ATOM 1111 CG GLN A 141 36.267 22.680 0.343 1.00 26.12 C ATOM 1112 CD GLN A 141 36.936 23.887 -0.272 1.00 98.47 C ATOM 1113 OE1 GLN A 141 36.581 24.345 -1.370 1.00 23.95 O ATOM 1114 NE2 GLN A 141 37.898 24.424 0.454 1.00 21.78 N ATOM 1115 N THR A 142 39.034 18.943 0.415 1.00 22.03 N ATOM 1116 CA THR A 142 39.990 17.982 0.977 1.00 13.70 C ATOM 1117 C THR A 142 40.179 16.874 -0.003 1.00 21.93 C ATOM 1118 O THR A 142 39.793 15.741 0.248 1.00 15.62 O ATOM 1119 CB THR A 142 39.523 17.406 2.319 1.00 23.91 C ATOM 1120 OG1 THR A 142 38.158 16.919 2.193 1.00 19.29 O ATOM 1121 CG2 THR A 142 39.647 18.501 3.385 1.00 18.00 C ATOM 1122 N PRO A 143 40.755 17.216 -1.141 1.00 21.61 N ATOM 1123 CA PRO A 143 40.940 16.223 -2.194 1.00 20.14 C ATOM 1124 C PRO A 143 41.748 14.954 -1.830 1.00 25.97 C ATOM 1125 O PRO A 143 41.390 13.889 -2.264 1.00 18.86 O ATOM 1126 CB PRO A 143 41.600 16.958 -3.358 1.00 16.74 C ATOM 1127 CG PRO A 143 42.279 18.171 -2.740 1.00 13.31 C ATOM 1128 CD PRO A 143 41.522 18.469 -1.453 1.00 16.19 C ATOM 1129 N ASN A 144 42.850 15.031 -1.088 1.00 10.75 N ATOM 1130 CA ASN A 144 43.618 13.828 -0.796 1.00 18.51 C ATOM 1131 C ASN A 144 42.883 12.849 0.112 1.00 23.48 C ATOM 1132 O ASN A 144 42.922 11.640 -0.072 1.00 15.35 O ATOM 1133 CB ASN A 144 45.039 14.093 -0.246 1.00 16.07 C ATOM 1134 CG ASN A 144 45.959 14.849 -1.227 1.00 36.85 C ATOM 1135 OD1 ASN A 144 45.913 14.693 -2.455 1.00 31.78 O ATOM 1136 ND2 ASN A 144 46.805 15.707 -0.691 1.00 38.60 N ATOM 1137 N ARG A 145 42.233 13.383 1.124 1.00 13.10 N ATOM 1138 CA ARG A 145 41.475 12.559 1.993 1.00 15.40 C ATOM 1139 C ARG A 145 40.220 11.995 1.272 1.00 22.38 C ATOM 1140 O ARG A 145 39.851 10.824 1.407 1.00 20.88 O ATOM 1141 CB ARG A 145 41.024 13.350 3.184 1.00 14.57 C ATOM 1142 CG ARG A 145 40.007 12.502 3.939 1.00 20.85 C ATOM 1143 CD ARG A 145 39.556 13.178 5.183 1.00 27.20 C ATOM 1144 NE ARG A 145 38.862 12.291 6.067 1.00 18.87 N ATOM 1145 CZ ARG A 145 38.682 12.706 7.298 1.00 23.12 C ATOM 1146 NH1 ARG A 145 39.167 13.892 7.635 1.00 15.18 N ATOM 1147 NH2 ARG A 145 38.037 11.962 8.200 1.00 15.69 N ATOM 1148 N ALA A 146 39.511 12.859 0.532 1.00 15.21 N ATOM 1149 CA ALA A 146 38.350 12.426 -0.238 1.00 15.43 C ATOM 1150 C ALA A 146 38.717 11.241 -1.162 1.00 15.00 C ATOM 1151 O ALA A 146 38.018 10.242 -1.207 1.00 19.61 O ATOM 1152 CB ALA A 146 37.751 13.591 -1.052 1.00 15.57 C ATOM 1153 N LYS A 147 39.828 11.367 -1.917 1.00 15.58 N ATOM 1154 CA LYS A 147 40.311 10.348 -2.825 1.00 16.89 C ATOM 1155 C LYS A 147 40.521 9.036 -2.132 1.00 19.44 C ATOM 1156 O LYS A 147 40.253 7.965 -2.683 1.00 14.15 O ATOM 1157 CB LYS A 147 41.620 10.736 -3.448 1.00 19.07 C ATOM 1158 CG LYS A 147 41.439 11.506 -4.731 1.00 36.68 C ATOM 1159 CD LYS A 147 42.623 12.382 -5.097 1.00 42.79 C ATOM 1160 CE LYS A 147 42.166 13.604 -5.859 1.00 67.11 C ATOM 1161 NZ LYS A 147 43.241 14.573 -6.079 1.00100.00 N ATOM 1162 N ARG A 148 41.044 9.128 -0.924 1.00 13.10 N ATOM 1163 CA ARG A 148 41.311 7.897 -0.157 1.00 20.23 C ATOM 1164 C ARG A 148 40.026 7.155 0.185 1.00 27.72 C ATOM 1165 O ARG A 148 39.900 5.938 0.014 1.00 14.50 O ATOM 1166 CB ARG A 148 42.120 8.174 1.115 1.00 16.49 C ATOM 1167 CG ARG A 148 43.626 8.317 0.868 1.00 10.79 C ATOM 1168 CD ARG A 148 44.393 8.207 2.168 1.00 13.07 C ATOM 1169 NE ARG A 148 44.082 9.289 3.105 1.00 21.21 N ATOM 1170 CZ ARG A 148 44.668 10.513 3.086 1.00 30.16 C ATOM 1171 NH1 ARG A 148 45.566 10.864 2.162 1.00 17.96 N ATOM 1172 NH2 ARG A 148 44.360 11.423 3.962 1.00 17.29 N ATOM 1173 N VAL A 149 39.072 7.923 0.697 1.00 12.89 N ATOM 1174 CA VAL A 149 37.760 7.401 1.090 1.00 14.83 C ATOM 1175 C VAL A 149 37.006 6.834 -0.102 1.00 22.58 C ATOM 1176 O VAL A 149 36.389 5.760 -0.030 1.00 15.48 O ATOM 1177 CB VAL A 149 36.951 8.492 1.778 1.00 10.96 C ATOM 1178 CG1 VAL A 149 35.514 8.009 2.012 1.00 9.61 C ATOM 1179 CG2 VAL A 149 37.590 8.856 3.122 1.00 14.16 C ATOM 1180 N ILE A 150 37.066 7.584 -1.201 1.00 15.45 N ATOM 1181 CA ILE A 150 36.426 7.237 -2.457 1.00 15.47 C ATOM 1182 C ILE A 150 37.021 5.960 -3.048 1.00 21.83 C ATOM 1183 O ILE A 150 36.316 5.123 -3.627 1.00 21.32 O ATOM 1184 CB ILE A 150 36.427 8.407 -3.495 1.00 21.00 C ATOM 1185 CG1 ILE A 150 35.502 9.593 -3.091 1.00 20.10 C ATOM 1186 CG2 ILE A 150 36.038 7.886 -4.888 1.00 21.34 C ATOM 1187 CD1 ILE A 150 35.633 10.814 -4.006 1.00 11.57 C ATOM 1188 N THR A 151 38.340 5.806 -2.912 1.00 15.32 N ATOM 1189 CA THR A 151 38.992 4.617 -3.444 1.00 17.24 C ATOM 1190 C THR A 151 38.543 3.425 -2.659 1.00 17.84 C ATOM 1191 O THR A 151 38.386 2.341 -3.204 1.00 19.37 O ATOM 1192 CB THR A 151 40.520 4.720 -3.355 1.00 18.62 C ATOM 1193 OG1 THR A 151 40.918 5.592 -4.377 1.00 30.73 O ATOM 1194 CG2 THR A 151 41.145 3.336 -3.585 1.00 20.50 C ATOM 1195 N THR A 152 38.339 3.660 -1.356 1.00 11.98 N ATOM 1196 CA THR A 152 37.858 2.615 -0.485 1.00 19.87 C ATOM 1197 C THR A 152 36.452 2.169 -0.928 1.00 25.50 C ATOM 1198 O THR A 152 36.107 0.990 -0.893 1.00 13.12 O ATOM 1199 CB THR A 152 37.876 3.102 0.975 1.00 15.78 C ATOM 1200 OG1 THR A 152 39.197 3.481 1.276 1.00 16.89 O ATOM 1201 CG2 THR A 152 37.497 1.977 1.917 1.00 14.63 C ATOM 1202 N PHE A 153 35.624 3.123 -1.357 1.00 16.01 N ATOM 1203 CA PHE A 153 34.281 2.774 -1.774 1.00 12.51 C ATOM 1204 C PHE A 153 34.302 2.040 -3.107 1.00 26.87 C ATOM 1205 O PHE A 153 33.527 1.105 -3.371 1.00 18.43 O ATOM 1206 CB PHE A 153 33.322 3.995 -1.850 1.00 18.29 C ATOM 1207 CG PHE A 153 32.610 4.426 -0.574 1.00 24.10 C ATOM 1208 CD1 PHE A 153 31.746 3.592 0.145 1.00 22.84 C ATOM 1209 CD2 PHE A 153 32.760 5.732 -0.107 1.00 14.62 C ATOM 1210 CE1 PHE A 153 31.090 4.016 1.308 1.00 16.03 C ATOM 1211 CE2 PHE A 153 32.092 6.184 1.038 1.00 17.04 C ATOM 1212 CZ PHE A 153 31.262 5.326 1.762 1.00 12.69 C ATOM 1213 N ARG A 154 35.195 2.489 -3.972 1.00 14.36 N ATOM 1214 CA ARG A 154 35.341 1.907 -5.309 1.00 28.79 C ATOM 1215 C ARG A 154 35.829 0.472 -5.305 1.00 32.48 C ATOM 1216 O ARG A 154 35.281 -0.359 -6.027 1.00 34.08 O ATOM 1217 CB ARG A 154 36.250 2.730 -6.224 1.00 17.86 C ATOM 1218 CG ARG A 154 35.893 2.588 -7.709 1.00 28.51 C ATOM 1219 CD ARG A 154 36.852 3.306 -8.671 1.00 19.63 C ATOM 1220 NE ARG A 154 38.221 3.404 -8.168 1.00 48.68 N ATOM 1221 CZ ARG A 154 39.183 2.483 -8.298 1.00100.00 C ATOM 1222 NH1 ARG A 154 38.992 1.315 -8.924 1.00 59.68 N ATOM 1223 NH2 ARG A 154 40.379 2.752 -7.779 1.00 50.71 N ATOM 1224 N THR A 155 36.872 0.211 -4.495 1.00 22.51 N ATOM 1225 CA THR A 155 37.545 -1.074 -4.450 1.00 18.59 C ATOM 1226 C THR A 155 37.138 -2.005 -3.374 1.00 26.41 C ATOM 1227 O THR A 155 37.319 -3.191 -3.506 1.00 27.41 O ATOM 1228 CB THR A 155 39.076 -0.932 -4.326 1.00 26.06 C ATOM 1229 OG1 THR A 155 39.426 -0.402 -3.056 1.00 18.98 O ATOM 1230 CG2 THR A 155 39.607 -0.066 -5.453 1.00 16.15 C ATOM 1231 N GLY A 156 36.702 -1.502 -2.270 1.00 22.79 N ATOM 1232 CA GLY A 156 36.382 -2.418 -1.226 1.00 12.45 C ATOM 1233 C GLY A 156 37.621 -2.989 -0.527 1.00 29.19 C ATOM 1234 O GLY A 156 37.520 -3.953 0.201 1.00 22.18 O ATOM 1235 N THR A 157 38.788 -2.377 -0.707 1.00 20.81 N ATOM 1236 CA THR A 157 40.044 -2.786 -0.056 1.00 18.42 C ATOM 1237 C THR A 157 40.650 -1.581 0.663 1.00 21.69 C ATOM 1238 O THR A 157 40.226 -0.459 0.450 1.00 17.44 O ATOM 1239 CB THR A 157 41.062 -3.110 -1.151 1.00 16.72 C ATOM 1240 OG1 THR A 157 41.361 -1.879 -1.814 1.00 27.99 O ATOM 1241 CG2 THR A 157 40.444 -4.098 -2.138 1.00 30.15 C ATOM 1242 N TRP A 158 41.704 -1.798 1.426 1.00 19.78 N ATOM 1243 CA TRP A 158 42.374 -0.730 2.155 1.00 12.64 C ATOM 1244 C TRP A 158 43.588 -0.214 1.423 1.00 18.49 C ATOM 1245 O TRP A 158 44.490 0.384 2.010 1.00 25.85 O ATOM 1246 CB TRP A 158 42.885 -1.263 3.497 1.00 14.94 C ATOM 1247 CG TRP A 158 41.839 -1.720 4.451 1.00 18.75 C ATOM 1248 CD1 TRP A 158 41.612 -2.998 4.846 1.00 18.63 C ATOM 1249 CD2 TRP A 158 40.950 -0.892 5.209 1.00 18.89 C ATOM 1250 NE1 TRP A 158 40.608 -3.031 5.785 1.00 19.94 N ATOM 1251 CE2 TRP A 158 40.193 -1.748 6.042 1.00 17.65 C ATOM 1252 CE3 TRP A 158 40.760 0.485 5.290 1.00 16.70 C ATOM 1253 CZ2 TRP A 158 39.221 -1.258 6.918 1.00 29.56 C ATOM 1254 CZ3 TRP A 158 39.815 0.962 6.169 1.00 13.88 C ATOM 1255 CH2 TRP A 158 39.039 0.102 6.957 1.00 25.71 C ATOM 1256 N ASP A 159 43.625 -0.450 0.136 1.00 18.68 N ATOM 1257 CA ASP A 159 44.780 -0.054 -0.600 1.00 19.20 C ATOM 1258 C ASP A 159 45.192 1.407 -0.484 1.00 24.19 C ATOM 1259 O ASP A 159 46.376 1.693 -0.478 1.00 27.82 O ATOM 1260 CB ASP A 159 44.628 -0.435 -2.062 1.00 18.57 C ATOM 1261 CG ASP A 159 44.618 -1.915 -2.320 1.00 72.40 C ATOM 1262 OD1 ASP A 159 45.148 -2.640 -1.364 1.00 38.14 O ATOM 1263 OD2 ASP A 159 44.182 -2.378 -3.349 1.00 36.81 O ATOM 1264 N ALA A 160 44.244 2.330 -0.399 1.00 18.86 N ATOM 1265 CA ALA A 160 44.559 3.759 -0.349 1.00 12.88 C ATOM 1266 C ALA A 160 45.251 4.112 0.941 1.00 20.42 C ATOM 1267 O ALA A 160 45.841 5.171 1.092 1.00 24.68 O ATOM 1268 CB ALA A 160 43.288 4.622 -0.519 1.00 17.04 C ATOM 1269 N TYR A 161 45.131 3.210 1.890 1.00 21.01 N ATOM 1270 CA TYR A 161 45.686 3.447 3.184 1.00 16.44 C ATOM 1271 C TYR A 161 46.908 2.637 3.408 1.00 36.93 C ATOM 1272 O TYR A 161 47.469 2.688 4.496 1.00 31.38 O ATOM 1273 CB TYR A 161 44.711 3.184 4.346 1.00 19.49 C ATOM 1274 CG TYR A 161 43.666 4.258 4.401 1.00 20.08 C ATOM 1275 CD1 TYR A 161 42.570 4.167 3.539 1.00 14.73 C ATOM 1276 CD2 TYR A 161 43.793 5.361 5.247 1.00 12.95 C ATOM 1277 CE1 TYR A 161 41.564 5.135 3.529 1.00 15.18 C ATOM 1278 CE2 TYR A 161 42.799 6.349 5.243 1.00 14.08 C ATOM 1279 CZ TYR A 161 41.693 6.228 4.385 1.00 22.69 C ATOM 1280 OH TYR A 161 40.695 7.181 4.365 1.00 17.31 O ATOM 1281 N LYS A 162 47.309 1.888 2.400 1.00 44.48 N ATOM 1282 CA LYS A 162 48.526 1.128 2.555 1.00 55.19 C ATOM 1283 C LYS A 162 49.627 1.743 1.731 1.00 41.34 C ATOM 1284 O LYS A 162 50.630 2.186 2.281 1.00 72.96 O ATOM 1285 CB LYS A 162 48.381 -0.346 2.323 1.00 40.17 C ATOM 1286 CG LYS A 162 47.496 -0.965 3.387 1.00 41.10 C ATOM 1287 CD LYS A 162 46.714 -2.161 2.865 1.00100.00 C ATOM 1288 CE LYS A 162 46.774 -2.284 1.346 1.00100.00 C ATOM 1289 NZ LYS A 162 45.730 -3.169 0.796 1.00 75.54 N TER 1290 LYS A 162 HETATM 1291 CL CL A 173 43.105 16.437 1.838 1.00 31.25 CL HETATM 1292 CL CL A 178 31.797 15.637 23.970 0.50 36.01 CL HETATM 1293 C1 BME A 901 31.762 -0.871 15.008 1.00 59.34 C HETATM 1294 C2 BME A 901 31.892 -0.606 13.524 1.00 42.69 C HETATM 1295 O1 BME A 901 33.090 -0.817 15.520 1.00 86.60 O HETATM 1296 S2 BME A 901 33.378 -1.464 12.974 1.00 66.76 S HETATM 1297 C1 BME A 902 34.058 -3.174 9.669 1.00 83.63 C HETATM 1298 C2 BME A 902 32.984 -2.119 10.002 1.00 42.57 C HETATM 1299 O1 BME A 902 35.190 -2.535 9.107 1.00 60.57 O HETATM 1300 S2 BME A 902 33.624 -0.782 11.042 1.00100.00 S HETATM 1301 C1 BNZ A 400 26.408 5.086 3.512 1.00 21.10 C HETATM 1302 C2 BNZ A 400 27.385 5.881 2.928 1.00 23.87 C HETATM 1303 C3 BNZ A 400 27.891 6.973 3.620 1.00 21.16 C HETATM 1304 C4 BNZ A 400 27.441 7.240 4.913 1.00 24.84 C HETATM 1305 C5 BNZ A 400 26.490 6.418 5.520 1.00 23.50 C HETATM 1306 C6 BNZ A 400 25.957 5.352 4.805 1.00 18.26 C CONECT 1293 1294 1295 CONECT 1294 1293 1296 CONECT 1295 1293 CONECT 1296 1294 1300 CONECT 1297 1298 1299 CONECT 1298 1297 1300 CONECT 1299 1297 CONECT 1300 1296 1298 CONECT 1301 1302 1306 CONECT 1302 1301 1303 CONECT 1303 1302 1304 CONECT 1304 1303 1305 CONECT 1305 1304 1306 CONECT 1306 1301 1305 MASTER 292 0 5 10 4 0 7 6 1447 1 14 13 END