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*** calmodulin-4 ***elNémo ID: 240624134016553992Job options:ID = 240624134016553992 JOBID = calmodulin-4 USERID = unknown PRIVAT = 0 NMODES = 25 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = on DORMSD = on NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER calmodulin-4 HEADER CALCIUM BINDING PROTEIN 11-MAY-88 3CLN TITLE STRUCTURE OF CALMODULIN REFINED AT 2.2 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALMODULIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; SOURCE 3 ORGANISM_COMMON: BLACK RAT; SOURCE 4 ORGANISM_TAXID: 10117 KEYWDS CALCIUM BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR Y.S.BABU,C.E.BUGG,W.J.COOK REVDAT 6 21-FEB-24 3CLN 1 REMARK LINK REVDAT 5 29-NOV-17 3CLN 1 HELIX REVDAT 4 24-FEB-09 3CLN 1 VERSN REVDAT 3 01-APR-03 3CLN 1 JRNL REVDAT 2 09-JAN-89 3CLN 1 JRNL REVDAT 1 16-JUL-88 3CLN 0 SPRSDE 16-JUL-88 3CLN 1CLN JRNL AUTH Y.S.BABU,C.E.BUGG,W.J.COOK JRNL TITL STRUCTURE OF CALMODULIN REFINED AT 2.2 A RESOLUTION. JRNL REF J.MOL.BIOL. V. 204 191 1988 JRNL REFN ISSN 0022-2836 JRNL PMID 3145979 JRNL DOI 10.1016/0022-2836(88)90608-0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.S.BABU,J.S.SACK,T.J.GREENHOUGH,C.E.BUGG,A.R.MEANS,W.J.COOK REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF CALMODULIN REMARK 1 REF NATURE V. 315 37 1985 REMARK 1 REFN ISSN 0028-0836 REMARK 1 REFERENCE 2 REMARK 1 AUTH W.J.COOK,J.S.SACK REMARK 1 TITL PREPARATION OF CALMODULIN CRYSTALS REMARK 1 REF METHODS ENZYMOL. V. 102 143 1983 REMARK 1 REFN ISSN 0076-6879 REMARK 1 REFERENCE 3 REMARK 1 AUTH J.A.PUTKEY,K.F.TS'UI,T.TANAKA,L.LAGACE,J.P.STEIN,E.C.LAI, REMARK 1 AUTH 2 A.R.MEANS REMARK 1 TITL CHICKEN CALMODULIN GENES. A SPECIES COMPARISON OF C/DNA REMARK 1 TITL 2 SEQUENCES AND ISOLATION OF A GENOMIC CLONE REMARK 1 REF J.BIOL.CHEM. V. 258 11864 1983 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 4 REMARK 1 AUTH W.J.COOK,J.R.DEDMAN,A.R.MEANS,C.E.BUGG REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION OF REMARK 1 TITL 2 CALMODULIN REMARK 1 REF J.BIOL.CHEM. V. 255 8152 1980 REMARK 1 REFN ISSN 0021-9258 REMARK 2 REMARK 2 RESOLUTION. 2.20 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) : 2.20 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 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) : 0.175 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 : 1126 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 69 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) : 0.016 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.034 ; 0.030 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.044 ; 0.040 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.012 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.162 ; 0.130 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.206 ; 0.400 REMARK 3 MULTIPLE TORSION (A) : 0.274 ; 0.400 REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : 0.180 ; 0.400 REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.300 ; 5.000 REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.300 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.000 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.410 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.710 ; 3.000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3CLN 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_1000178914. 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 (%): 47.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.36 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 1 REMARK 465 ASP A 2 REMARK 465 GLN A 3 REMARK 465 LEU A 4 REMARK 465 LYS A 148 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 O VAL A 91 NH1 ARG A 126 1556 2.01 REMARK 500 NH2 ARG A 37 OE1 GLU A 114 1566 2.11 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 22 CB - CG - OD1 ANGL. DEV. = 7.1 DEGREES REMARK 500 ASP A 22 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 24 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 THR A 28 N - CA - CB ANGL. DEV. = -11.6 DEGREES REMARK 500 ARG A 86 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG A 86 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG A 90 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 42 76.11 -116.87 REMARK 500 ASP A 56 94.19 -56.55 REMARK 500 ALA A 73 -72.91 -54.27 REMARK 500 SER A 81 -63.09 -93.64 REMARK 500 ASP A 131 3.01 -67.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 149 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 20 OD2 REMARK 620 2 ASP A 22 OD1 87.5 REMARK 620 3 ASP A 24 OD2 85.6 76.9 REMARK 620 4 THR A 26 O 83.3 156.9 81.3 REMARK 620 5 GLU A 31 OE2 110.0 125.7 151.6 77.4 REMARK 620 6 GLU A 31 OE1 99.0 73.5 149.8 128.9 53.6 REMARK 620 7 HOH A 153 O 161.7 81.2 77.9 101.7 88.3 91.6 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 150 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 56 OD2 REMARK 620 2 ASP A 58 OD2 81.8 REMARK 620 3 ASN A 60 OD1 94.4 80.2 REMARK 620 4 THR A 62 O 82.3 154.5 81.3 REMARK 620 5 GLU A 67 OE1 99.7 123.7 153.7 78.7 REMARK 620 6 GLU A 67 OE2 89.9 71.1 150.0 128.7 52.7 REMARK 620 7 HOH A 154 O 156.6 76.9 91.5 121.0 84.3 74.1 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 151 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 93 OD2 REMARK 620 2 ASP A 95 OD2 93.2 REMARK 620 3 ASN A 97 OD1 92.7 71.7 REMARK 620 4 TYR A 99 O 84.3 151.7 80.3 REMARK 620 5 GLU A 104 OE2 95.4 78.0 149.0 130.3 REMARK 620 6 GLU A 104 OE1 97.0 126.6 158.5 81.7 48.9 REMARK 620 7 HOH A 155 O 172.7 82.7 91.8 102.2 77.8 80.7 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 152 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 129 OD1 REMARK 620 2 ASP A 131 OD2 88.7 REMARK 620 3 ASP A 133 OD2 94.6 79.4 REMARK 620 4 GLN A 135 O 82.6 158.9 82.2 REMARK 620 5 GLU A 140 OE1 106.5 131.5 141.6 69.6 REMARK 620 6 GLU A 140 OE2 84.6 85.1 164.5 113.0 52.2 REMARK 620 7 HOH A 156 O 169.0 84.6 75.6 100.7 84.5 103.5 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: EF1 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: calcium binding site REMARK 800 REMARK 800 SITE_IDENTIFIER: EF2 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: calcium binding site REMARK 800 REMARK 800 SITE_IDENTIFIER: EF3 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: calcium binding site REMARK 800 REMARK 800 SITE_IDENTIFIER: EF4 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: calcium binding site REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 149 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 150 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 151 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 152 DBREF 3CLN A 1 148 UNP P02593 CALM_HUMANX 1 148 SEQRES 1 A 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 A 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 A 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 A 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 A 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASN ILE SEQRES 11 A 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 A 148 MET MET THR ALA LYS HET CA A 149 1 HET CA A 150 1 HET CA A 151 1 HET CA A 152 1 HETNAM CA CALCIUM ION FORMUL 2 CA 4(CA 2+) FORMUL 6 HOH *69(H2 O) HELIX 1 H1 THR A 5 PHE A 19 1 15 HELIX 2 H2 THR A 29 SER A 38 1 10 HELIX 3 H3 GLU A 45 VAL A 55 1 11 HELIX 4 H4 PHE A 65 PHE A 92 1 28 HELIX 5 H5 ALA A 102 ASN A 111 1 10 HELIX 6 H6 ASP A 118 ALA A 128 1 11 HELIX 7 H7 TYR A 138 ALA A 147 1 10 SHEET 1 B1 2 THR A 26 THR A 28 0 SHEET 2 B1 2 THR A 62 ASP A 64 -1 SHEET 1 B2 2 TYR A 99 SER A 101 0 SHEET 2 B2 2 GLN A 135 ASN A 137 -1 LINK OD2 ASP A 20 CA CA A 149 1555 1555 2.34 LINK OD1 ASP A 22 CA CA A 149 1555 1555 2.42 LINK OD2 ASP A 24 CA CA A 149 1555 1555 2.61 LINK O THR A 26 CA CA A 149 1555 1555 2.46 LINK OE2 GLU A 31 CA CA A 149 1555 1555 2.38 LINK OE1 GLU A 31 CA CA A 149 1555 1555 2.28 LINK OD2 ASP A 56 CA CA A 150 1555 1555 2.21 LINK OD2 ASP A 58 CA CA A 150 1555 1555 2.48 LINK OD1 ASN A 60 CA CA A 150 1555 1555 2.46 LINK O THR A 62 CA CA A 150 1555 1555 2.17 LINK OE1 GLU A 67 CA CA A 150 1555 1555 2.49 LINK OE2 GLU A 67 CA CA A 150 1555 1555 2.31 LINK OD2 ASP A 93 CA CA A 151 1555 1555 2.14 LINK OD2 ASP A 95 CA CA A 151 1555 1555 2.22 LINK OD1 ASN A 97 CA CA A 151 1555 1555 2.39 LINK O TYR A 99 CA CA A 151 1555 1555 2.06 LINK OE2 GLU A 104 CA CA A 151 1555 1555 2.76 LINK OE1 GLU A 104 CA CA A 151 1555 1555 2.32 LINK OD1 ASN A 129 CA CA A 152 1555 1555 2.17 LINK OD2 ASP A 131 CA CA A 152 1555 1555 2.56 LINK OD2 ASP A 133 CA CA A 152 1555 1555 2.07 LINK O GLN A 135 CA CA A 152 1555 1555 2.38 LINK OE1 GLU A 140 CA CA A 152 1555 1555 2.57 LINK OE2 GLU A 140 CA CA A 152 1555 1555 2.32 LINK CA CA A 149 O HOH A 153 1555 1555 2.42 LINK CA CA A 150 O HOH A 154 1555 1555 2.37 LINK CA CA A 151 O HOH A 155 1555 1555 2.01 LINK CA CA A 152 O HOH A 156 1555 1555 2.63 SITE 1 EF1 12 ASP A 20 LYS A 21 ASP A 22 GLY A 23 SITE 2 EF1 12 ASP A 24 GLY A 25 THR A 26 ILE A 27 SITE 3 EF1 12 THR A 28 THR A 29 LYS A 30 GLU A 31 SITE 1 EF2 12 ASP A 56 ALA A 57 ASP A 58 GLY A 59 SITE 2 EF2 12 ASN A 60 GLY A 61 THR A 62 ILE A 63 SITE 3 EF2 12 ASP A 64 PHE A 65 PRO A 66 GLU A 67 SITE 1 EF3 12 ASP A 93 LYS A 94 ASP A 95 GLY A 96 SITE 2 EF3 12 ASN A 97 GLY A 98 TYR A 99 ILE A 100 SITE 3 EF3 12 SER A 101 ALA A 102 ALA A 103 GLU A 104 SITE 1 EF4 12 ASN A 129 ILE A 130 ASP A 131 GLY A 132 SITE 2 EF4 12 ASP A 133 GLY A 134 GLN A 135 VAL A 136 SITE 3 EF4 12 ASN A 137 TYR A 138 GLU A 139 GLU A 140 SITE 1 AC1 6 ASP A 20 ASP A 22 ASP A 24 THR A 26 SITE 2 AC1 6 GLU A 31 HOH A 153 SITE 1 AC2 6 ASP A 56 ASP A 58 ASN A 60 THR A 62 SITE 2 AC2 6 GLU A 67 HOH A 154 SITE 1 AC3 6 ASP A 93 ASP A 95 ASN A 97 TYR A 99 SITE 2 AC3 6 GLU A 104 HOH A 155 SITE 1 AC4 6 ASN A 129 ASP A 131 ASP A 133 GLN A 135 SITE 2 AC4 6 GLU A 140 HOH A 156 CRYST1 29.710 53.790 24.990 94.13 97.57 89.46 P 1 1 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 0.033660 -0.000320 0.004460 0.00000 SCALE2 0.000000 0.018590 0.001330 0.00000 SCALE3 0.000000 0.000000 0.040470 0.00000 ATOM 1 N THR A 5 -22.499 29.260 32.164 1.00 41.62 N ATOM 2 CA THR A 5 -22.134 30.524 31.536 1.00 40.62 C ATOM 3 C THR A 5 -22.164 31.628 32.593 1.00 39.94 C ATOM 4 O THR A 5 -21.295 32.505 32.549 1.00 39.67 O ATOM 5 CB THR A 5 -22.984 30.878 30.265 1.00 41.50 C ATOM 6 OG1 THR A 5 -24.243 30.139 30.376 1.00 42.80 O ATOM 7 CG2 THR A 5 -22.318 30.640 28.917 1.00 41.46 C ATOM 8 N GLU A 6 -23.098 31.565 33.508 1.00 39.55 N ATOM 9 CA GLU A 6 -23.237 32.552 34.591 1.00 40.34 C ATOM 10 C GLU A 6 -21.904 32.841 35.263 1.00 39.60 C ATOM 11 O GLU A 6 -21.498 34.011 35.421 1.00 39.48 O ATOM 12 CB GLU A 6 -24.247 32.129 35.645 1.00 44.96 C ATOM 13 CG GLU A 6 -25.308 33.074 36.124 1.00 49.43 C ATOM 14 CD GLU A 6 -25.960 32.929 37.448 1.00 53.72 C ATOM 15 OE1 GLU A 6 -25.933 33.803 38.324 1.00 56.08 O ATOM 16 OE2 GLU A 6 -26.589 31.865 37.662 1.00 54.86 O ATOM 17 N GLU A 7 -21.204 31.809 35.668 1.00 38.31 N ATOM 18 CA GLU A 7 -19.898 31.887 36.322 1.00 38.02 C ATOM 19 C GLU A 7 -18.797 32.213 35.318 1.00 37.50 C ATOM 20 O GLU A 7 -17.659 32.571 35.694 1.00 37.96 O ATOM 21 CB GLU A 7 -19.551 30.620 37.067 1.00 39.11 C ATOM 22 CG GLU A 7 -18.149 30.097 37.247 1.00 41.05 C ATOM 23 CD GLU A 7 -18.087 28.751 37.939 1.00 44.21 C ATOM 24 OE1 GLU A 7 -18.670 27.732 37.604 1.00 43.30 O ATOM 25 OE2 GLU A 7 -17.330 28.792 38.939 1.00 47.23 O ATOM 26 N GLN A 8 -19.132 32.106 34.051 1.00 36.37 N ATOM 27 CA GLN A 8 -18.223 32.421 32.939 1.00 35.01 C ATOM 28 C GLN A 8 -18.261 33.914 32.646 1.00 34.47 C ATOM 29 O GLN A 8 -17.200 34.553 32.513 1.00 35.38 O ATOM 30 CB GLN A 8 -18.445 31.540 31.734 1.00 32.45 C ATOM 31 CG GLN A 8 -17.535 30.294 31.794 1.00 32.46 C ATOM 32 CD GLN A 8 -17.685 29.431 30.576 1.00 31.72 C ATOM 33 OE1 GLN A 8 -18.786 29.066 30.177 1.00 33.68 O ATOM 34 NE2 GLN A 8 -16.570 29.083 29.965 1.00 32.40 N ATOM 35 N ILE A 9 -19.436 34.501 32.617 1.00 34.54 N ATOM 36 CA ILE A 9 -19.502 35.971 32.394 1.00 35.29 C ATOM 37 C ILE A 9 -18.862 36.731 33.553 1.00 34.13 C ATOM 38 O ILE A 9 -18.210 37.783 33.357 1.00 33.98 O ATOM 39 CB ILE A 9 -20.918 36.381 31.915 1.00 37.77 C ATOM 40 CG1 ILE A 9 -21.520 37.473 32.823 1.00 39.46 C ATOM 41 CG2 ILE A 9 -21.839 35.168 31.631 1.00 36.59 C ATOM 42 CD1 ILE A 9 -23.025 37.251 33.169 1.00 43.00 C ATOM 43 N ALA A 10 -19.018 36.230 34.746 1.00 33.63 N ATOM 44 CA ALA A 10 -18.466 36.763 35.983 1.00 34.39 C ATOM 45 C ALA A 10 -16.949 36.828 35.824 1.00 34.25 C ATOM 46 O ALA A 10 -16.326 37.875 36.051 1.00 34.21 O ATOM 47 CB ALA A 10 -18.924 35.972 37.211 1.00 33.08 C ATOM 48 N GLU A 11 -16.373 35.720 35.400 1.00 35.29 N ATOM 49 CA GLU A 11 -14.901 35.674 35.185 1.00 35.77 C ATOM 50 C GLU A 11 -14.501 36.750 34.198 1.00 35.29 C ATOM 51 O GLU A 11 -13.583 37.555 34.440 1.00 35.50 O ATOM 52 CB GLU A 11 -14.446 34.304 34.713 1.00 40.35 C ATOM 53 CG GLU A 11 -14.428 33.247 35.866 1.00 45.24 C ATOM 54 CD GLU A 11 -14.370 31.828 35.401 1.00 48.66 C ATOM 55 OE1 GLU A 11 -15.346 31.187 35.023 1.00 50.72 O ATOM 56 OE2 GLU A 11 -13.198 31.368 35.413 1.00 50.58 O ATOM 57 N PHE A 12 -15.228 36.787 33.087 1.00 34.25 N ATOM 58 CA PHE A 12 -15.010 37.780 32.010 1.00 31.94 C ATOM 59 C PHE A 12 -15.205 39.189 32.588 1.00 30.74 C ATOM 60 O PHE A 12 -14.379 40.071 32.268 1.00 31.01 O ATOM 61 CB PHE A 12 -15.875 37.528 30.792 1.00 31.85 C ATOM 62 CG PHE A 12 -15.415 36.427 29.895 1.00 33.62 C ATOM 63 CD1 PHE A 12 -16.281 35.400 29.532 1.00 33.63 C ATOM 64 CD2 PHE A 12 -14.103 36.402 29.432 1.00 34.35 C ATOM 65 CE1 PHE A 12 -15.884 34.382 28.683 1.00 33.79 C ATOM 66 CE2 PHE A 12 -13.680 35.368 28.571 1.00 34.94 C ATOM 67 CZ PHE A 12 -14.572 34.353 28.214 1.00 34.09 C ATOM 68 N LYS A 13 -16.220 39.358 33.395 1.00 27.69 N ATOM 69 CA LYS A 13 -16.474 40.656 34.032 1.00 27.44 C ATOM 70 C LYS A 13 -15.256 41.170 34.816 1.00 27.49 C ATOM 71 O LYS A 13 -14.863 42.359 34.738 1.00 25.29 O ATOM 72 CB LYS A 13 -17.659 40.565 34.949 1.00 27.81 C ATOM 73 CG LYS A 13 -18.482 41.851 35.030 1.00 28.32 C ATOM 74 CD LYS A 13 -19.924 41.449 35.330 1.00 32.28 C ATOM 75 CE LYS A 13 -20.746 41.197 34.076 1.00 34.08 C ATOM 76 NZ LYS A 13 -22.166 40.938 34.473 1.00 35.89 N ATOM 77 N GLU A 14 -14.645 40.226 35.541 1.00 26.75 N ATOM 78 CA GLU A 14 -13.481 40.484 36.368 1.00 25.96 C ATOM 79 C GLU A 14 -12.346 40.980 35.478 1.00 24.90 C ATOM 80 O GLU A 14 -11.646 41.915 35.844 1.00 25.09 O ATOM 81 CB GLU A 14 -12.975 39.215 37.079 1.00 27.89 C ATOM 82 CG GLU A 14 -13.145 39.041 38.565 1.00 32.90 C ATOM 83 CD GLU A 14 -13.191 37.635 39.102 1.00 37.45 C ATOM 84 OE1 GLU A 14 -14.199 36.953 39.319 1.00 40.01 O ATOM 85 OE2 GLU A 14 -12.038 37.205 39.307 1.00 39.87 O ATOM 86 N ALA A 15 -12.177 40.294 34.359 1.00 22.90 N ATOM 87 CA ALA A 15 -11.087 40.670 33.422 1.00 24.48 C ATOM 88 C ALA A 15 -11.362 42.070 32.864 1.00 23.66 C ATOM 89 O ALA A 15 -10.435 42.901 32.892 1.00 26.15 O ATOM 90 CB ALA A 15 -10.918 39.603 32.355 1.00 23.65 C ATOM 91 N PHE A 16 -12.576 42.380 32.470 1.00 22.21 N ATOM 92 CA PHE A 16 -13.026 43.677 31.966 1.00 21.00 C ATOM 93 C PHE A 16 -12.746 44.775 32.973 1.00 21.66 C ATOM 94 O PHE A 16 -12.271 45.866 32.563 1.00 23.07 O ATOM 95 CB PHE A 16 -14.505 43.676 31.563 1.00 20.00 C ATOM 96 CG PHE A 16 -15.062 44.910 30.927 1.00 19.19 C ATOM 97 CD1 PHE A 16 -15.685 45.888 31.743 1.00 19.49 C ATOM 98 CD2 PHE A 16 -14.978 45.135 29.560 1.00 16.35 C ATOM 99 CE1 PHE A 16 -16.214 47.058 31.221 1.00 18.26 C ATOM 100 CE2 PHE A 16 -15.528 46.274 28.986 1.00 17.46 C ATOM 101 CZ PHE A 16 -16.119 47.257 29.840 1.00 19.94 C ATOM 102 N SER A 17 -13.029 44.539 34.251 1.00 20.70 N ATOM 103 CA SER A 17 -12.792 45.597 35.227 1.00 22.09 C ATOM 104 C SER A 17 -11.352 45.997 35.311 1.00 21.38 C ATOM 105 O SER A 17 -11.231 47.157 35.750 1.00 25.68 O ATOM 106 CB SER A 17 -13.279 45.292 36.682 1.00 24.10 C ATOM 107 OG SER A 17 -14.414 44.466 36.471 1.00 30.63 O ATOM 108 N LEU A 18 -10.367 45.188 35.023 1.00 22.80 N ATOM 109 CA LEU A 18 -8.966 45.631 35.193 1.00 22.03 C ATOM 110 C LEU A 18 -8.671 46.804 34.247 1.00 21.25 C ATOM 111 O LEU A 18 -7.927 47.732 34.597 1.00 21.35 O ATOM 112 CB LEU A 18 -7.978 44.461 35.047 1.00 25.16 C ATOM 113 CG LEU A 18 -6.504 44.927 35.003 1.00 28.76 C ATOM 114 CD1 LEU A 18 -6.116 45.444 36.389 1.00 28.40 C ATOM 115 CD2 LEU A 18 -5.571 43.802 34.592 1.00 28.09 C ATOM 116 N PHE A 19 -9.234 46.678 33.081 1.00 20.59 N ATOM 117 CA PHE A 19 -9.151 47.628 31.970 1.00 20.73 C ATOM 118 C PHE A 19 -9.984 48.873 32.225 1.00 20.81 C ATOM 119 O PHE A 19 -9.489 49.952 31.998 1.00 22.88 O ATOM 120 CB PHE A 19 -9.570 46.960 30.652 1.00 22.38 C ATOM 121 CG PHE A 19 -8.679 45.872 30.156 1.00 22.39 C ATOM 122 CD1 PHE A 19 -7.535 46.212 29.420 1.00 23.82 C ATOM 123 CD2 PHE A 19 -8.937 44.536 30.467 1.00 24.25 C ATOM 124 CE1 PHE A 19 -6.676 45.228 28.950 1.00 24.66 C ATOM 125 CE2 PHE A 19 -8.053 43.525 30.023 1.00 25.58 C ATOM 126 CZ PHE A 19 -6.928 43.886 29.253 1.00 24.05 C ATOM 127 N ASP A 20 -11.226 48.721 32.667 1.00 20.84 N ATOM 128 CA ASP A 20 -12.162 49.791 32.955 1.00 18.43 C ATOM 129 C ASP A 20 -11.827 50.467 34.276 1.00 18.16 C ATOM 130 O ASP A 20 -12.567 50.290 35.225 1.00 17.98 O ATOM 131 CB ASP A 20 -13.602 49.276 32.933 1.00 18.21 C ATOM 132 CG ASP A 20 -14.614 50.399 33.000 1.00 20.51 C ATOM 133 OD1 ASP A 20 -15.827 50.153 33.198 1.00 22.05 O ATOM 134 OD2 ASP A 20 -14.153 51.558 32.903 1.00 19.79 O ATOM 135 N LYS A 21 -10.776 51.259 34.325 1.00 18.44 N ATOM 136 CA LYS A 21 -10.315 51.935 35.524 1.00 19.31 C ATOM 137 C LYS A 21 -11.300 52.825 36.252 1.00 20.14 C ATOM 138 O LYS A 21 -11.209 52.955 37.515 1.00 19.46 O ATOM 139 CB LYS A 21 -9.056 52.792 35.203 1.00 19.21 C ATOM 140 CG LYS A 21 -7.824 51.957 34.850 1.00 20.11 C ATOM 141 CD LYS A 21 -7.709 50.666 35.640 1.00 19.05 C ATOM 142 CE LYS A 21 -6.259 50.369 35.975 1.00 17.79 C ATOM 143 NZ LYS A 21 -5.949 48.952 35.796 1.00 17.10 N ATOM 144 N ASP A 22 -12.145 53.516 35.465 1.00 20.74 N ATOM 145 CA ASP A 22 -13.104 54.465 36.113 1.00 20.86 C ATOM 146 C ASP A 22 -14.492 53.852 36.222 1.00 21.06 C ATOM 147 O ASP A 22 -15.411 54.604 36.566 1.00 20.51 O ATOM 148 CB ASP A 22 -13.093 55.799 35.412 1.00 22.31 C ATOM 149 CG ASP A 22 -13.650 55.804 34.015 1.00 22.17 C ATOM 150 OD1 ASP A 22 -14.036 54.809 33.396 1.00 21.29 O ATOM 151 OD2 ASP A 22 -13.702 56.959 33.520 1.00 24.18 O ATOM 152 N GLY A 23 -14.619 52.585 35.854 1.00 19.15 N ATOM 153 CA GLY A 23 -15.839 51.847 35.877 1.00 18.44 C ATOM 154 C GLY A 23 -17.043 52.441 35.191 1.00 18.21 C ATOM 155 O GLY A 23 -18.185 52.235 35.658 1.00 16.72 O ATOM 156 N ASP A 24 -16.846 53.142 34.070 1.00 16.63 N ATOM 157 CA ASP A 24 -18.032 53.715 33.367 1.00 13.85 C ATOM 158 C ASP A 24 -18.610 52.697 32.422 1.00 14.07 C ATOM 159 O ASP A 24 -19.558 53.069 31.682 1.00 16.75 O ATOM 160 CB ASP A 24 -17.682 55.028 32.657 1.00 13.06 C ATOM 161 CG ASP A 24 -16.951 54.752 31.345 1.00 12.45 C ATOM 162 OD1 ASP A 24 -17.153 55.450 30.305 1.00 10.31 O ATOM 163 OD2 ASP A 24 -16.216 53.754 31.404 1.00 8.35 O ATOM 164 N GLY A 25 -18.065 51.507 32.323 1.00 12.14 N ATOM 165 CA GLY A 25 -18.609 50.526 31.347 1.00 12.61 C ATOM 166 C GLY A 25 -17.948 50.491 29.986 1.00 13.62 C ATOM 167 O GLY A 25 -18.464 49.830 29.053 1.00 13.60 O ATOM 168 N THR A 26 -16.807 51.209 29.819 1.00 12.60 N ATOM 169 CA THR A 26 -16.140 51.149 28.517 1.00 11.60 C ATOM 170 C THR A 26 -14.648 51.219 28.695 1.00 12.25 C ATOM 171 O THR A 26 -14.199 51.753 29.724 1.00 11.22 O ATOM 172 CB THR A 26 -16.602 52.313 27.550 1.00 13.20 C ATOM 173 OG1 THR A 26 -15.954 53.491 28.082 1.00 10.80 O ATOM 174 CG2 THR A 26 -18.132 52.452 27.414 1.00 15.64 C ATOM 175 N ILE A 27 -13.955 50.732 27.669 1.00 12.94 N ATOM 176 CA ILE A 27 -12.493 50.841 27.669 1.00 11.76 C ATOM 177 C ILE A 27 -12.094 51.756 26.506 1.00 13.41 C ATOM 178 O ILE A 27 -12.367 51.607 25.327 1.00 11.54 O ATOM 179 CB ILE A 27 -11.765 49.463 27.545 1.00 13.37 C ATOM 180 CG1 ILE A 27 -12.426 48.491 28.557 1.00 12.26 C ATOM 181 CG2 ILE A 27 -10.231 49.706 27.617 1.00 10.42 C ATOM 182 CD1 ILE A 27 -12.227 47.004 28.226 1.00 13.93 C ATOM 183 N THR A 28 -11.315 52.692 26.908 1.00 13.85 N ATOM 184 CA THR A 28 -10.723 53.815 26.191 1.00 15.52 C ATOM 185 C THR A 28 -9.274 53.538 25.864 1.00 17.02 C ATOM 186 O THR A 28 -8.680 52.685 26.590 1.00 15.17 O ATOM 187 CB THR A 28 -10.892 54.940 27.321 1.00 16.41 C ATOM 188 OG1 THR A 28 -11.966 55.820 26.865 1.00 25.49 O ATOM 189 CG2 THR A 28 -9.731 55.506 27.960 1.00 16.22 C ATOM 190 N THR A 29 -8.768 54.296 24.880 1.00 17.16 N ATOM 191 CA THR A 29 -7.357 54.115 24.504 1.00 19.26 C ATOM 192 C THR A 29 -6.493 54.499 25.704 1.00 18.50 C ATOM 193 O THR A 29 -5.448 53.870 25.820 1.00 19.41 O ATOM 194 CB THR A 29 -6.840 54.898 23.214 1.00 18.16 C ATOM 195 OG1 THR A 29 -7.031 56.301 23.474 1.00 16.15 O ATOM 196 CG2 THR A 29 -7.540 54.451 21.938 1.00 18.78 C ATOM 197 N LYS A 30 -6.953 55.421 26.532 1.00 18.81 N ATOM 198 CA LYS A 30 -6.147 55.805 27.717 1.00 19.06 C ATOM 199 C LYS A 30 -6.134 54.738 28.776 1.00 18.15 C ATOM 200 O LYS A 30 -5.086 54.432 29.399 1.00 19.23 O ATOM 201 CB LYS A 30 -6.594 57.124 28.320 1.00 24.93 C ATOM 202 CG LYS A 30 -7.179 58.140 27.344 1.00 27.64 C ATOM 203 CD LYS A 30 -8.665 58.009 27.152 1.00 28.58 C ATOM 204 CE LYS A 30 -9.292 58.745 26.005 1.00 31.14 C ATOM 205 NZ LYS A 30 -9.030 58.028 24.704 1.00 31.99 N ATOM 206 N GLU A 31 -7.247 54.090 29.014 1.00 16.45 N ATOM 207 CA GLU A 31 -7.322 52.995 30.032 1.00 13.49 C ATOM 208 C GLU A 31 -6.517 51.803 29.554 1.00 13.38 C ATOM 209 O GLU A 31 -5.731 51.227 30.320 1.00 12.55 O ATOM 210 CB GLU A 31 -8.807 52.653 30.269 1.00 9.19 C ATOM 211 CG GLU A 31 -9.488 53.737 31.120 1.00 7.76 C ATOM 212 CD GLU A 31 -10.959 53.542 31.367 1.00 9.13 C ATOM 213 OE1 GLU A 31 -11.595 53.888 32.345 1.00 9.17 O ATOM 214 OE2 GLU A 31 -11.533 52.987 30.447 1.00 6.00 O ATOM 215 N LEU A 32 -6.666 51.452 28.273 1.00 12.88 N ATOM 216 CA LEU A 32 -5.888 50.381 27.651 1.00 15.01 C ATOM 217 C LEU A 32 -4.385 50.714 27.779 1.00 14.27 C ATOM 218 O LEU A 32 -3.553 49.829 28.070 1.00 17.15 O ATOM 219 CB LEU A 32 -6.282 50.184 26.183 1.00 16.84 C ATOM 220 CG LEU A 32 -5.425 49.156 25.462 1.00 17.59 C ATOM 221 CD1 LEU A 32 -5.609 47.780 26.100 1.00 17.31 C ATOM 222 CD2 LEU A 32 -5.821 49.148 23.988 1.00 14.70 C ATOM 223 N GLY A 33 -4.048 51.947 27.604 1.00 13.17 N ATOM 224 CA GLY A 33 -2.756 52.513 27.734 1.00 13.00 C ATOM 225 C GLY A 33 -2.221 52.291 29.151 1.00 15.21 C ATOM 226 O GLY A 33 -1.038 51.904 29.232 1.00 14.86 O ATOM 227 N THR A 34 -2.968 52.543 30.213 1.00 15.31 N ATOM 228 CA THR A 34 -2.353 52.387 31.559 1.00 16.80 C ATOM 229 C THR A 34 -2.070 50.978 31.967 1.00 16.19 C ATOM 230 O THR A 34 -1.102 50.775 32.731 1.00 17.81 O ATOM 231 CB THR A 34 -3.018 53.270 32.697 1.00 21.32 C ATOM 232 OG1 THR A 34 -3.443 52.418 33.791 1.00 21.87 O ATOM 233 CG2 THR A 34 -4.074 54.237 32.186 1.00 16.89 C ATOM 234 N VAL A 35 -2.825 50.023 31.498 1.00 16.13 N ATOM 235 CA VAL A 35 -2.695 48.603 31.674 1.00 16.15 C ATOM 236 C VAL A 35 -1.470 48.123 30.889 1.00 18.15 C ATOM 237 O VAL A 35 -0.712 47.316 31.458 1.00 17.84 O ATOM 238 CB VAL A 35 -3.975 47.828 31.272 1.00 14.91 C ATOM 239 CG1 VAL A 35 -3.796 46.343 31.294 1.00 12.50 C ATOM 240 CG2 VAL A 35 -5.167 48.140 32.173 1.00 14.51 C ATOM 241 N MET A 36 -1.342 48.563 29.634 1.00 19.00 N ATOM 242 CA MET A 36 -0.178 48.111 28.842 1.00 20.95 C ATOM 243 C MET A 36 1.083 48.535 29.635 1.00 21.58 C ATOM 244 O MET A 36 2.053 47.780 29.723 1.00 22.26 O ATOM 245 CB MET A 36 -0.028 48.738 27.475 1.00 25.31 C ATOM 246 CG MET A 36 -1.140 48.443 26.507 1.00 29.88 C ATOM 247 SD MET A 36 -1.315 46.651 26.624 1.00 37.79 S ATOM 248 CE MET A 36 -1.283 46.209 24.873 1.00 38.30 C ATOM 249 N ARG A 37 1.044 49.764 30.099 1.00 20.92 N ATOM 250 CA ARG A 37 2.153 50.354 30.839 1.00 24.06 C ATOM 251 C ARG A 37 2.471 49.618 32.133 1.00 24.97 C ATOM 252 O ARG A 37 3.651 49.399 32.519 1.00 27.86 O ATOM 253 CB ARG A 37 1.834 51.810 31.184 1.00 22.25 C ATOM 254 CG ARG A 37 2.595 52.827 30.372 1.00 27.64 C ATOM 255 CD ARG A 37 1.806 53.682 29.474 1.00 25.80 C ATOM 256 NE ARG A 37 0.993 54.669 30.236 1.00 25.32 N ATOM 257 CZ ARG A 37 0.071 55.355 29.508 1.00 24.63 C ATOM 258 NH1 ARG A 37 0.006 55.266 28.193 1.00 20.76 N ATOM 259 NH2 ARG A 37 -0.816 56.096 30.157 1.00 26.96 N ATOM 260 N SER A 38 1.397 49.306 32.847 1.00 25.01 N ATOM 261 CA SER A 38 1.571 48.625 34.163 1.00 25.22 C ATOM 262 C SER A 38 2.227 47.290 33.847 1.00 25.89 C ATOM 263 O SER A 38 2.846 46.688 34.727 1.00 26.25 O ATOM 264 CB SER A 38 0.235 48.572 34.877 1.00 25.40 C ATOM 265 OG SER A 38 -0.455 47.437 34.451 1.00 24.74 O ATOM 266 N LEU A 39 2.173 46.884 32.579 1.00 24.98 N ATOM 267 CA LEU A 39 2.786 45.648 32.145 1.00 27.52 C ATOM 268 C LEU A 39 4.192 45.802 31.564 1.00 28.36 C ATOM 269 O LEU A 39 4.716 44.786 31.059 1.00 28.82 O ATOM 270 CB LEU A 39 1.816 44.947 31.168 1.00 30.14 C ATOM 271 CG LEU A 39 0.549 44.370 31.811 1.00 32.82 C ATOM 272 CD1 LEU A 39 -0.231 43.483 30.851 1.00 31.77 C ATOM 273 CD2 LEU A 39 0.979 43.590 33.057 1.00 31.47 C ATOM 274 N GLY A 40 4.758 46.985 31.568 1.00 28.70 N ATOM 275 CA GLY A 40 6.062 47.300 31.022 1.00 29.32 C ATOM 276 C GLY A 40 6.137 47.493 29.523 1.00 30.36 C ATOM 277 O GLY A 40 7.190 47.237 28.881 1.00 30.67 O ATOM 278 N GLN A 41 5.055 47.961 28.931 1.00 30.29 N ATOM 279 CA GLN A 41 4.986 48.226 27.455 1.00 29.10 C ATOM 280 C GLN A 41 4.359 49.612 27.314 1.00 28.89 C ATOM 281 O GLN A 41 3.287 49.847 27.919 1.00 26.03 O ATOM 282 CB GLN A 41 4.218 47.084 26.850 1.00 32.65 C ATOM 283 CG GLN A 41 4.154 46.902 25.374 1.00 35.17 C ATOM 284 CD GLN A 41 3.675 45.498 25.022 1.00 36.67 C ATOM 285 OE1 GLN A 41 3.690 45.140 23.860 1.00 38.00 O ATOM 286 NE2 GLN A 41 3.294 44.755 26.054 1.00 36.31 N ATOM 287 N ASN A 42 5.041 50.483 26.561 1.00 27.87 N ATOM 288 CA ASN A 42 4.588 51.890 26.443 1.00 28.08 C ATOM 289 C ASN A 42 4.219 52.170 24.985 1.00 27.25 C ATOM 290 O ASN A 42 4.961 52.806 24.249 1.00 26.74 O ATOM 291 CB ASN A 42 5.631 52.859 26.971 1.00 28.77 C ATOM 292 CG ASN A 42 5.849 52.818 28.464 1.00 32.04 C ATOM 293 OD1 ASN A 42 6.377 51.848 29.058 1.00 31.20 O ATOM 294 ND2 ASN A 42 5.451 53.913 29.118 1.00 32.27 N ATOM 295 N PRO A 43 3.054 51.653 24.630 1.00 26.70 N ATOM 296 CA PRO A 43 2.580 51.830 23.236 1.00 24.93 C ATOM 297 C PRO A 43 2.337 53.300 22.935 1.00 24.08 C ATOM 298 O PRO A 43 2.091 54.078 23.881 1.00 23.57 O ATOM 299 CB PRO A 43 1.322 50.994 23.187 1.00 24.92 C ATOM 300 CG PRO A 43 0.806 50.991 24.623 1.00 25.87 C ATOM 301 CD PRO A 43 2.078 50.904 25.455 1.00 26.59 C ATOM 302 N THR A 44 2.355 53.656 21.657 1.00 23.02 N ATOM 303 CA THR A 44 2.014 55.053 21.290 1.00 22.23 C ATOM 304 C THR A 44 0.496 55.080 21.154 1.00 23.22 C ATOM 305 O THR A 44 -0.151 54.018 21.173 1.00 23.99 O ATOM 306 CB THR A 44 2.735 55.552 19.994 1.00 21.23 C ATOM 307 OG1 THR A 44 2.168 54.796 18.907 1.00 19.46 O ATOM 308 CG2 THR A 44 4.281 55.378 20.011 1.00 19.45 C ATOM 309 N GLU A 45 -0.072 56.270 21.065 1.00 24.98 N ATOM 310 CA GLU A 45 -1.515 56.482 20.914 1.00 25.14 C ATOM 311 C GLU A 45 -1.997 55.807 19.645 1.00 23.64 C ATOM 312 O GLU A 45 -3.103 55.247 19.641 1.00 23.74 O ATOM 313 CB GLU A 45 -1.904 57.964 20.877 1.00 29.38 C ATOM 314 CG GLU A 45 -3.385 58.289 20.727 1.00 36.70 C ATOM 315 CD GLU A 45 -4.214 58.342 21.983 1.00 41.76 C ATOM 316 OE1 GLU A 45 -5.407 58.091 22.104 1.00 41.93 O ATOM 317 OE2 GLU A 45 -3.530 58.708 22.980 1.00 44.85 O ATOM 318 N ALA A 46 -1.179 55.811 18.608 1.00 21.85 N ATOM 319 CA ALA A 46 -1.527 55.213 17.306 1.00 21.89 C ATOM 320 C ALA A 46 -1.685 53.716 17.408 1.00 20.45 C ATOM 321 O ALA A 46 -2.534 53.076 16.782 1.00 20.42 O ATOM 322 CB ALA A 46 -0.487 55.561 16.222 1.00 21.97 C ATOM 323 N GLU A 47 -0.785 53.121 18.176 1.00 20.26 N ATOM 324 CA GLU A 47 -0.834 51.647 18.410 1.00 19.01 C ATOM 325 C GLU A 47 -2.038 51.305 19.299 1.00 17.00 C ATOM 326 O GLU A 47 -2.687 50.262 19.117 1.00 16.78 O ATOM 327 CB GLU A 47 0.429 51.218 19.157 1.00 20.60 C ATOM 328 CG GLU A 47 1.669 51.239 18.252 1.00 21.02 C ATOM 329 CD GLU A 47 2.962 51.049 18.952 1.00 20.98 C ATOM 330 OE1 GLU A 47 3.319 51.588 19.981 1.00 22.62 O ATOM 331 OE2 GLU A 47 3.640 50.271 18.285 1.00 23.50 O ATOM 332 N LEU A 48 -2.287 52.192 20.229 1.00 16.26 N ATOM 333 CA LEU A 48 -3.457 52.010 21.164 1.00 18.71 C ATOM 334 C LEU A 48 -4.704 52.070 20.267 1.00 19.55 C ATOM 335 O LEU A 48 -5.512 51.154 20.325 1.00 19.40 O ATOM 336 CB LEU A 48 -3.403 53.065 22.224 1.00 20.20 C ATOM 337 CG LEU A 48 -2.908 52.793 23.636 1.00 22.78 C ATOM 338 CD1 LEU A 48 -2.047 51.568 23.717 1.00 22.16 C ATOM 339 CD2 LEU A 48 -2.070 54.003 24.083 1.00 21.36 C ATOM 340 N GLN A 49 -4.787 53.125 19.447 1.00 19.79 N ATOM 341 CA GLN A 49 -5.944 53.259 18.537 1.00 20.21 C ATOM 342 C GLN A 49 -6.162 52.028 17.694 1.00 18.97 C ATOM 343 O GLN A 49 -7.354 51.615 17.513 1.00 19.33 O ATOM 344 CB GLN A 49 -5.927 54.497 17.622 1.00 22.83 C ATOM 345 CG GLN A 49 -7.314 54.647 16.995 1.00 25.25 C ATOM 346 CD GLN A 49 -8.372 55.048 17.970 1.00 26.63 C ATOM 347 OE1 GLN A 49 -9.515 54.615 17.918 1.00 29.29 O ATOM 348 NE2 GLN A 49 -8.006 55.882 18.936 1.00 26.87 N ATOM 349 N ASP A 50 -5.120 51.415 17.170 1.00 18.19 N ATOM 350 CA ASP A 50 -5.342 50.170 16.352 1.00 16.88 C ATOM 351 C ASP A 50 -5.870 49.055 17.265 1.00 16.18 C ATOM 352 O ASP A 50 -6.612 48.189 16.792 1.00 14.26 O ATOM 353 CB ASP A 50 -4.094 49.723 15.615 1.00 18.42 C ATOM 354 CG ASP A 50 -3.669 50.575 14.435 1.00 20.98 C ATOM 355 OD1 ASP A 50 -4.473 51.051 13.632 1.00 20.52 O ATOM 356 OD2 ASP A 50 -2.435 50.780 14.324 1.00 23.34 O ATOM 357 N MET A 51 -5.371 49.008 18.503 1.00 15.84 N ATOM 358 CA MET A 51 -5.851 47.874 19.389 1.00 17.33 C ATOM 359 C MET A 51 -7.360 48.048 19.587 1.00 17.43 C ATOM 360 O MET A 51 -8.122 47.052 19.478 1.00 19.72 O ATOM 361 CB MET A 51 -5.024 47.781 20.635 1.00 17.86 C ATOM 362 CG MET A 51 -3.553 47.404 20.423 1.00 23.63 C ATOM 363 SD MET A 51 -2.766 47.359 22.083 1.00 28.19 S ATOM 364 CE MET A 51 -1.262 48.276 21.816 1.00 29.31 C ATOM 365 N ILE A 52 -7.858 49.235 19.860 1.00 17.07 N ATOM 366 CA ILE A 52 -9.295 49.484 20.059 1.00 16.64 C ATOM 367 C ILE A 52 -10.116 49.206 18.800 1.00 18.33 C ATOM 368 O ILE A 52 -11.222 48.537 18.944 1.00 17.31 O ATOM 369 CB ILE A 52 -9.612 50.886 20.633 1.00 17.05 C ATOM 370 CG1 ILE A 52 -9.744 50.954 22.144 1.00 19.66 C ATOM 371 CG2 ILE A 52 -11.018 51.398 20.074 1.00 17.94 C ATOM 372 CD1 ILE A 52 -8.641 50.785 23.132 1.00 19.43 C ATOM 373 N ASN A 53 -9.678 49.708 17.663 1.00 17.55 N ATOM 374 CA ASN A 53 -10.446 49.527 16.397 1.00 21.58 C ATOM 375 C ASN A 53 -10.775 48.082 16.050 1.00 21.59 C ATOM 376 O ASN A 53 -11.809 47.712 15.453 1.00 23.82 O ATOM 377 CB ASN A 53 -9.678 50.148 15.213 1.00 23.87 C ATOM 378 CG ASN A 53 -9.724 51.663 15.248 1.00 26.92 C ATOM 379 OD1 ASN A 53 -9.084 52.331 14.405 1.00 28.28 O ATOM 380 ND2 ASN A 53 -10.435 52.160 16.234 1.00 26.81 N ATOM 381 N GLU A 54 -9.793 47.254 16.335 1.00 22.80 N ATOM 382 CA GLU A 54 -9.940 45.815 16.074 1.00 23.50 C ATOM 383 C GLU A 54 -11.120 45.244 16.832 1.00 22.87 C ATOM 384 O GLU A 54 -11.788 44.374 16.269 1.00 24.01 O ATOM 385 CB GLU A 54 -8.648 45.116 16.497 1.00 28.16 C ATOM 386 CG GLU A 54 -8.269 43.842 15.802 1.00 34.68 C ATOM 387 CD GLU A 54 -7.453 42.840 16.542 1.00 38.35 C ATOM 388 OE1 GLU A 54 -7.731 41.635 16.493 1.00 42.97 O ATOM 389 OE2 GLU A 54 -6.509 43.354 17.159 1.00 38.95 O ATOM 390 N VAL A 55 -11.384 45.697 18.052 1.00 22.62 N ATOM 391 CA VAL A 55 -12.457 45.134 18.907 1.00 21.95 C ATOM 392 C VAL A 55 -13.713 45.940 18.857 1.00 21.03 C ATOM 393 O VAL A 55 -14.836 45.419 18.876 1.00 22.43 O ATOM 394 CB VAL A 55 -11.892 44.903 20.333 1.00 23.39 C ATOM 395 CG1 VAL A 55 -10.419 44.520 20.347 1.00 22.18 C ATOM 396 CG2 VAL A 55 -12.056 46.110 21.205 1.00 28.30 C ATOM 397 N ASP A 56 -13.574 47.239 18.682 1.00 22.18 N ATOM 398 CA ASP A 56 -14.735 48.151 18.586 1.00 22.44 C ATOM 399 C ASP A 56 -15.690 47.749 17.476 1.00 23.40 C ATOM 400 O ASP A 56 -15.539 48.132 16.313 1.00 25.10 O ATOM 401 CB ASP A 56 -14.185 49.554 18.495 1.00 20.65 C ATOM 402 CG ASP A 56 -15.313 50.572 18.593 1.00 21.64 C ATOM 403 OD1 ASP A 56 -15.070 51.680 18.103 1.00 20.26 O ATOM 404 OD2 ASP A 56 -16.348 50.152 19.195 1.00 19.29 O ATOM 405 N ALA A 57 -16.747 46.972 17.744 1.00 24.02 N ATOM 406 CA ALA A 57 -17.664 46.585 16.658 1.00 23.15 C ATOM 407 C ALA A 57 -18.567 47.668 16.140 1.00 23.34 C ATOM 408 O ALA A 57 -18.909 47.559 14.932 1.00 25.58 O ATOM 409 CB ALA A 57 -18.506 45.377 17.071 1.00 25.33 C ATOM 410 N ASP A 58 -19.047 48.621 16.899 1.00 22.66 N ATOM 411 CA ASP A 58 -20.001 49.631 16.463 1.00 21.42 C ATOM 412 C ASP A 58 -19.400 50.981 16.142 1.00 21.12 C ATOM 413 O ASP A 58 -20.151 51.943 15.943 1.00 22.98 O ATOM 414 CB ASP A 58 -21.130 49.760 17.524 1.00 19.72 C ATOM 415 CG ASP A 58 -20.645 50.228 18.867 1.00 17.91 C ATOM 416 OD1 ASP A 58 -21.427 50.432 19.849 1.00 19.58 O ATOM 417 OD2 ASP A 58 -19.409 50.361 18.987 1.00 13.58 O ATOM 418 N GLY A 59 -18.109 51.161 16.214 1.00 22.19 N ATOM 419 CA GLY A 59 -17.344 52.341 15.929 1.00 18.46 C ATOM 420 C GLY A 59 -17.532 53.520 16.769 1.00 19.88 C ATOM 421 O GLY A 59 -17.250 54.649 16.329 1.00 21.43 O ATOM 422 N ASN A 60 -18.043 53.365 18.016 1.00 19.83 N ATOM 423 CA ASN A 60 -18.184 54.574 18.860 1.00 17.34 C ATOM 424 C ASN A 60 -16.782 54.918 19.335 1.00 16.56 C ATOM 425 O ASN A 60 -16.743 55.983 20.007 1.00 17.44 O ATOM 426 CB ASN A 60 -19.178 54.546 19.999 1.00 17.31 C ATOM 427 CG ASN A 60 -19.018 53.422 20.980 1.00 17.91 C ATOM 428 OD1 ASN A 60 -18.106 52.599 20.835 1.00 17.75 O ATOM 429 ND2 ASN A 60 -19.894 53.329 22.012 1.00 20.17 N ATOM 430 N GLY A 61 -15.779 54.076 19.115 1.00 15.39 N ATOM 431 CA GLY A 61 -14.439 54.515 19.616 1.00 16.04 C ATOM 432 C GLY A 61 -13.997 53.991 20.921 1.00 16.80 C ATOM 433 O GLY A 61 -12.844 54.241 21.393 1.00 17.54 O ATOM 434 N THR A 62 -14.873 53.200 21.579 1.00 17.20 N ATOM 435 CA THR A 62 -14.579 52.517 22.836 1.00 14.69 C ATOM 436 C THR A 62 -15.148 51.112 22.805 1.00 15.42 C ATOM 437 O THR A 62 -16.039 50.722 22.002 1.00 12.35 O ATOM 438 CB THR A 62 -15.125 53.283 24.101 1.00 18.05 C ATOM 439 OG1 THR A 62 -16.580 53.288 24.042 1.00 17.65 O ATOM 440 CG2 THR A 62 -14.562 54.724 24.209 1.00 17.50 C ATOM 441 N ILE A 63 -14.601 50.352 23.781 1.00 14.25 N ATOM 442 CA ILE A 63 -15.070 48.964 23.936 1.00 13.53 C ATOM 443 C ILE A 63 -15.835 48.775 25.235 1.00 12.84 C ATOM 444 O ILE A 63 -15.439 49.182 26.345 1.00 10.53 O ATOM 445 CB ILE A 63 -13.957 47.910 23.617 1.00 18.50 C ATOM 446 CG1 ILE A 63 -14.024 46.863 24.751 1.00 15.59 C ATOM 447 CG2 ILE A 63 -12.502 48.366 23.369 1.00 16.66 C ATOM 448 CD1 ILE A 63 -14.787 45.622 24.345 1.00 20.10 C ATOM 449 N ASP A 64 -17.010 48.187 25.027 1.00 13.61 N ATOM 450 CA ASP A 64 -17.969 47.847 26.075 1.00 12.51 C ATOM 451 C ASP A 64 -17.865 46.337 26.357 1.00 13.54 C ATOM 452 O ASP A 64 -17.200 45.584 25.647 1.00 11.74 O ATOM 453 CB ASP A 64 -19.357 48.323 25.651 1.00 11.65 C ATOM 454 CG ASP A 64 -19.927 47.510 24.514 1.00 14.89 C ATOM 455 OD1 ASP A 64 -21.000 47.883 23.974 1.00 15.16 O ATOM 456 OD2 ASP A 64 -19.300 46.488 24.165 1.00 12.98 O ATOM 457 N PHE A 65 -18.582 45.867 27.368 1.00 14.05 N ATOM 458 CA PHE A 65 -18.560 44.466 27.775 1.00 14.53 C ATOM 459 C PHE A 65 -18.863 43.464 26.722 1.00 13.47 C ATOM 460 O PHE A 65 -18.098 42.490 26.488 1.00 14.44 O ATOM 461 CB PHE A 65 -19.472 44.316 29.036 1.00 17.98 C ATOM 462 CG PHE A 65 -19.137 42.977 29.648 1.00 18.04 C ATOM 463 CD1 PHE A 65 -20.170 42.038 29.789 1.00 20.65 C ATOM 464 CD2 PHE A 65 -17.846 42.700 30.033 1.00 17.67 C ATOM 465 CE1 PHE A 65 -19.886 40.785 30.344 1.00 19.56 C ATOM 466 CE2 PHE A 65 -17.533 41.443 30.592 1.00 19.78 C ATOM 467 CZ PHE A 65 -18.580 40.525 30.724 1.00 17.87 C ATOM 468 N PRO A 66 -20.004 43.576 26.047 1.00 13.52 N ATOM 469 CA PRO A 66 -20.359 42.667 24.954 1.00 14.49 C ATOM 470 C PRO A 66 -19.289 42.558 23.878 1.00 16.22 C ATOM 471 O PRO A 66 -19.057 41.435 23.321 1.00 18.19 O ATOM 472 CB PRO A 66 -21.667 43.180 24.373 1.00 13.79 C ATOM 473 CG PRO A 66 -22.162 44.237 25.312 1.00 13.77 C ATOM 474 CD PRO A 66 -21.019 44.638 26.198 1.00 14.93 C ATOM 475 N GLU A 67 -18.653 43.658 23.512 1.00 16.80 N ATOM 476 CA GLU A 67 -17.574 43.705 22.486 1.00 17.11 C ATOM 477 C GLU A 67 -16.343 42.973 23.015 1.00 18.63 C ATOM 478 O GLU A 67 -15.774 42.127 22.281 1.00 19.47 O ATOM 479 CB GLU A 67 -17.173 45.128 22.142 1.00 16.83 C ATOM 480 CG GLU A 67 -18.045 45.924 21.149 1.00 15.51 C ATOM 481 CD GLU A 67 -17.878 47.402 21.119 1.00 14.60 C ATOM 482 OE1 GLU A 67 -17.202 47.995 21.937 1.00 16.02 O ATOM 483 OE2 GLU A 67 -18.502 48.046 20.243 1.00 13.27 O ATOM 484 N PHE A 68 -15.900 43.257 24.198 1.00 18.30 N ATOM 485 CA PHE A 68 -14.777 42.604 24.913 1.00 20.47 C ATOM 486 C PHE A 68 -15.008 41.087 24.996 1.00 21.88 C ATOM 487 O PHE A 68 -14.187 40.259 24.573 1.00 21.18 O ATOM 488 CB PHE A 68 -14.644 43.152 26.341 1.00 18.61 C ATOM 489 CG PHE A 68 -13.578 42.590 27.212 1.00 21.39 C ATOM 490 CD1 PHE A 68 -12.270 43.078 27.159 1.00 21.36 C ATOM 491 CD2 PHE A 68 -13.861 41.518 28.096 1.00 20.00 C ATOM 492 CE1 PHE A 68 -11.271 42.563 27.985 1.00 21.58 C ATOM 493 CE2 PHE A 68 -12.893 41.001 28.930 1.00 19.74 C ATOM 494 CZ PHE A 68 -11.584 41.506 28.859 1.00 21.30 C ATOM 495 N LEU A 69 -16.148 40.767 25.542 1.00 24.10 N ATOM 496 CA LEU A 69 -16.624 39.386 25.794 1.00 28.28 C ATOM 497 C LEU A 69 -16.543 38.552 24.520 1.00 30.40 C ATOM 498 O LEU A 69 -16.079 37.396 24.576 1.00 29.47 O ATOM 499 CB LEU A 69 -17.992 39.551 26.431 1.00 30.14 C ATOM 500 CG LEU A 69 -18.841 38.480 27.019 1.00 33.02 C ATOM 501 CD1 LEU A 69 -18.978 37.313 26.051 1.00 35.33 C ATOM 502 CD2 LEU A 69 -18.226 37.997 28.343 1.00 32.95 C ATOM 503 N THR A 70 -17.001 39.149 23.424 1.00 31.75 N ATOM 504 CA THR A 70 -17.019 38.495 22.112 1.00 34.26 C ATOM 505 C THR A 70 -15.616 38.433 21.539 1.00 35.41 C ATOM 506 O THR A 70 -15.326 37.414 20.872 1.00 37.68 O ATOM 507 CB THR A 70 -18.055 39.077 21.088 1.00 35.58 C ATOM 508 OG1 THR A 70 -17.445 40.286 20.527 1.00 40.24 O ATOM 509 CG2 THR A 70 -19.422 39.455 21.643 1.00 35.83 C ATOM 510 N MET A 71 -14.768 39.402 21.777 1.00 36.62 N ATOM 511 CA MET A 71 -13.371 39.368 21.286 1.00 37.56 C ATOM 512 C MET A 71 -12.680 38.171 21.989 1.00 38.04 C ATOM 513 O MET A 71 -12.071 37.323 21.394 1.00 36.30 O ATOM 514 CB MET A 71 -12.598 40.651 21.527 1.00 37.42 C ATOM 515 CG MET A 71 -11.092 40.459 21.456 1.00 41.09 C ATOM 516 SD MET A 71 -10.375 40.674 23.127 1.00 46.36 S ATOM 517 CE MET A 71 -8.810 39.854 23.000 1.00 43.62 C ATOM 518 N MET A 72 -12.829 38.198 23.299 1.00 40.20 N ATOM 519 CA MET A 72 -12.293 37.280 24.289 1.00 41.15 C ATOM 520 C MET A 72 -12.668 35.826 24.011 1.00 40.53 C ATOM 521 O MET A 72 -11.787 34.974 24.063 1.00 40.39 O ATOM 522 CB MET A 72 -12.723 37.736 25.687 1.00 44.20 C ATOM 523 CG MET A 72 -11.536 37.990 26.575 1.00 48.40 C ATOM 524 SD MET A 72 -10.334 38.886 25.517 1.00 54.90 S ATOM 525 CE MET A 72 -9.208 39.466 26.828 1.00 53.32 C ATOM 526 N ALA A 73 -13.922 35.577 23.724 1.00 41.07 N ATOM 527 CA ALA A 73 -14.453 34.240 23.434 1.00 42.68 C ATOM 528 C ALA A 73 -13.624 33.624 22.303 1.00 44.67 C ATOM 529 O ALA A 73 -12.754 32.738 22.557 1.00 44.92 O ATOM 530 CB ALA A 73 -15.944 34.343 23.226 1.00 39.68 C ATOM 531 N ARG A 74 -13.798 34.100 21.094 1.00 45.81 N ATOM 532 CA ARG A 74 -13.068 33.718 19.893 1.00 46.94 C ATOM 533 C ARG A 74 -11.580 33.470 20.112 1.00 47.42 C ATOM 534 O ARG A 74 -11.047 32.405 19.733 1.00 47.79 O ATOM 535 CB ARG A 74 -13.180 34.851 18.840 1.00 48.50 C ATOM 536 CG ARG A 74 -14.285 34.649 17.818 1.00 50.87 C ATOM 537 CD ARG A 74 -14.073 35.447 16.567 1.00 53.34 C ATOM 538 NE ARG A 74 -14.485 36.840 16.744 1.00 55.02 N ATOM 539 CZ ARG A 74 -15.751 37.121 17.107 1.00 56.42 C ATOM 540 NH1 ARG A 74 -16.653 36.155 17.259 1.00 56.08 N ATOM 541 NH2 ARG A 74 -16.086 38.392 17.329 1.00 57.71 N ATOM 542 N LYS A 75 -10.889 34.443 20.688 1.00 47.17 N ATOM 543 CA LYS A 75 -9.463 34.351 20.961 1.00 48.29 C ATOM 544 C LYS A 75 -9.086 33.314 22.020 1.00 49.44 C ATOM 545 O LYS A 75 -7.882 32.940 22.089 1.00 49.19 O ATOM 546 CB LYS A 75 -8.790 35.673 21.381 1.00 46.65 C ATOM 547 CG LYS A 75 -7.348 35.401 21.825 1.00 46.31 C ATOM 548 CD LYS A 75 -6.688 36.543 22.529 1.00 47.98 C ATOM 549 CE LYS A 75 -5.934 37.415 21.525 1.00 50.15 C ATOM 550 NZ LYS A 75 -4.896 36.550 20.879 1.00 51.83 N ATOM 551 N MET A 76 -10.043 32.886 22.831 1.00 50.11 N ATOM 552 CA MET A 76 -9.673 31.878 23.853 1.00 51.53 C ATOM 553 C MET A 76 -9.583 30.534 23.129 1.00 51.52 C ATOM 554 O MET A 76 -8.791 29.680 23.593 1.00 51.55 O ATOM 555 CB MET A 76 -10.529 31.932 25.091 1.00 54.86 C ATOM 556 CG MET A 76 -10.367 33.180 25.927 1.00 57.16 C ATOM 557 SD MET A 76 -9.321 32.874 27.392 1.00 60.69 S ATOM 558 CE MET A 76 -7.722 32.562 26.636 1.00 57.92 C ATOM 559 N LYS A 77 -10.306 30.376 22.032 1.00 51.25 N ATOM 560 CA LYS A 77 -10.293 29.138 21.240 1.00 52.19 C ATOM 561 C LYS A 77 -8.939 28.880 20.557 1.00 52.51 C ATOM 562 O LYS A 77 -8.403 27.759 20.584 1.00 52.84 O ATOM 563 CB LYS A 77 -11.340 29.066 20.133 1.00 51.30 C ATOM 564 CG LYS A 77 -12.702 29.620 20.470 1.00 52.25 C ATOM 565 CD LYS A 77 -13.724 28.604 20.904 1.00 53.76 C ATOM 566 CE LYS A 77 -14.375 27.866 19.756 1.00 55.65 C ATOM 567 NZ LYS A 77 -15.073 28.822 18.851 1.00 56.25 N ATOM 568 N ASP A 78 -8.431 29.919 19.943 1.00 52.78 N ATOM 569 CA ASP A 78 -7.196 29.999 19.190 1.00 52.77 C ATOM 570 C ASP A 78 -5.934 29.862 20.046 1.00 52.72 C ATOM 571 O ASP A 78 -4.843 29.652 19.482 1.00 52.65 O ATOM 572 CB ASP A 78 -7.172 31.305 18.364 1.00 52.21 C ATOM 573 CG ASP A 78 -8.403 31.429 17.497 1.00 52.40 C ATOM 574 OD1 ASP A 78 -8.485 32.304 16.622 1.00 52.15 O ATOM 575 OD2 ASP A 78 -9.312 30.591 17.738 1.00 52.77 O ATOM 576 N THR A 79 -6.073 29.985 21.328 1.00 52.91 N ATOM 577 CA THR A 79 -4.917 29.856 22.249 1.00 54.95 C ATOM 578 C THR A 79 -4.913 28.451 22.854 1.00 55.01 C ATOM 579 O THR A 79 -3.950 27.977 23.481 1.00 54.95 O ATOM 580 CB THR A 79 -4.947 31.021 23.305 1.00 55.63 C ATOM 581 OG1 THR A 79 -4.007 30.655 24.363 1.00 57.46 O ATOM 582 CG2 THR A 79 -6.363 31.300 23.816 1.00 55.61 C ATOM 583 N ASP A 80 -6.038 27.789 22.617 1.00 55.15 N ATOM 584 CA ASP A 80 -6.314 26.410 23.052 1.00 55.30 C ATOM 585 C ASP A 80 -5.974 25.448 21.895 1.00 54.57 C ATOM 586 O ASP A 80 -5.973 24.224 22.004 1.00 54.07 O ATOM 587 CB ASP A 80 -7.760 26.300 23.537 1.00 56.76 C ATOM 588 CG ASP A 80 -7.890 26.789 24.978 1.00 58.40 C ATOM 589 OD1 ASP A 80 -8.953 27.301 25.357 1.00 59.28 O ATOM 590 OD2 ASP A 80 -6.876 26.633 25.696 1.00 58.57 O ATOM 591 N SER A 81 -5.715 26.099 20.784 1.00 53.97 N ATOM 592 CA SER A 81 -5.287 25.541 19.503 1.00 52.82 C ATOM 593 C SER A 81 -3.754 25.583 19.457 1.00 51.91 C ATOM 594 O SER A 81 -3.087 24.537 19.440 1.00 52.35 O ATOM 595 CB SER A 81 -5.913 26.303 18.354 1.00 52.57 C ATOM 596 OG SER A 81 -7.220 25.849 18.062 1.00 51.82 O ATOM 597 N GLU A 82 -3.208 26.783 19.496 1.00 51.05 N ATOM 598 CA GLU A 82 -1.752 26.960 19.484 1.00 51.06 C ATOM 599 C GLU A 82 -1.106 26.087 20.556 1.00 51.10 C ATOM 600 O GLU A 82 0.077 25.698 20.472 1.00 51.41 O ATOM 601 CB GLU A 82 -1.366 28.395 19.796 1.00 51.80 C ATOM 602 CG GLU A 82 0.103 28.780 19.795 1.00 52.84 C ATOM 603 CD GLU A 82 0.795 28.784 18.459 1.00 53.57 C ATOM 604 OE1 GLU A 82 1.992 29.041 18.344 1.00 53.66 O ATOM 605 OE2 GLU A 82 0.031 28.483 17.507 1.00 53.77 O ATOM 606 N GLU A 83 -1.890 25.820 21.601 1.00 50.47 N ATOM 607 CA GLU A 83 -1.380 25.033 22.740 1.00 49.30 C ATOM 608 C GLU A 83 -1.411 23.548 22.476 1.00 47.62 C ATOM 609 O GLU A 83 -0.467 22.842 22.897 1.00 47.29 O ATOM 610 CB GLU A 83 -1.966 25.470 24.069 1.00 51.89 C ATOM 611 CG GLU A 83 -1.236 26.697 24.704 1.00 54.78 C ATOM 612 CD GLU A 83 -1.545 26.912 26.155 1.00 57.88 C ATOM 613 OE1 GLU A 83 -2.697 26.886 26.596 1.00 59.91 O ATOM 614 OE2 GLU A 83 -0.559 27.110 26.898 1.00 58.20 O ATOM 615 N GLU A 84 -2.370 23.053 21.733 1.00 46.24 N ATOM 616 CA GLU A 84 -2.444 21.640 21.347 1.00 45.32 C ATOM 617 C GLU A 84 -1.265 21.361 20.393 1.00 43.82 C ATOM 618 O GLU A 84 -0.517 20.391 20.553 1.00 43.79 O ATOM 619 CB GLU A 84 -3.742 21.292 20.645 1.00 48.82 C ATOM 620 CG GLU A 84 -4.838 20.604 21.450 1.00 52.86 C ATOM 621 CD GLU A 84 -6.255 20.976 21.152 1.00 55.90 C ATOM 622 OE1 GLU A 84 -6.732 22.092 21.380 1.00 57.32 O ATOM 623 OE2 GLU A 84 -6.925 20.026 20.673 1.00 57.34 O ATOM 624 N ILE A 85 -1.118 22.281 19.442 1.00 40.87 N ATOM 625 CA ILE A 85 -0.060 22.227 18.451 1.00 38.05 C ATOM 626 C ILE A 85 1.278 22.422 19.144 1.00 36.85 C ATOM 627 O ILE A 85 2.210 21.759 18.686 1.00 38.32 O ATOM 628 CB ILE A 85 -0.253 23.201 17.245 1.00 35.83 C ATOM 629 CG1 ILE A 85 -1.501 22.796 16.433 1.00 34.51 C ATOM 630 CG2 ILE A 85 0.994 23.286 16.317 1.00 37.67 C ATOM 631 CD1 ILE A 85 -1.975 23.926 15.459 1.00 35.09 C ATOM 632 N ARG A 86 1.364 23.231 20.169 1.00 35.82 N ATOM 633 CA ARG A 86 2.673 23.415 20.837 1.00 35.37 C ATOM 634 C ARG A 86 3.074 22.131 21.572 1.00 34.02 C ATOM 635 O ARG A 86 4.263 21.883 21.856 1.00 32.56 O ATOM 636 CB ARG A 86 2.698 24.640 21.712 1.00 39.18 C ATOM 637 CG ARG A 86 3.124 25.951 21.055 1.00 42.48 C ATOM 638 CD ARG A 86 3.127 27.062 22.056 1.00 47.06 C ATOM 639 NE ARG A 86 4.110 28.071 21.812 1.00 49.67 N ATOM 640 CZ ARG A 86 4.115 29.127 21.006 1.00 51.73 C ATOM 641 NH1 ARG A 86 3.103 29.484 20.210 1.00 51.45 N ATOM 642 NH2 ARG A 86 5.229 29.891 21.010 1.00 51.52 N ATOM 643 N GLU A 87 2.080 21.316 21.850 1.00 32.47 N ATOM 644 CA GLU A 87 2.212 20.042 22.545 1.00 30.68 C ATOM 645 C GLU A 87 2.824 18.973 21.651 1.00 28.28 C ATOM 646 O GLU A 87 3.886 18.433 21.953 1.00 27.65 O ATOM 647 CB GLU A 87 0.856 19.502 23.025 1.00 33.05 C ATOM 648 CG GLU A 87 0.578 19.778 24.488 1.00 37.42 C ATOM 649 CD GLU A 87 -0.716 19.341 25.093 1.00 39.62 C ATOM 650 OE1 GLU A 87 -1.035 19.812 26.182 1.00 40.26 O ATOM 651 OE2 GLU A 87 -1.383 18.487 24.459 1.00 40.11 O ATOM 652 N ALA A 88 2.099 18.715 20.577 1.00 27.12 N ATOM 653 CA ALA A 88 2.520 17.735 19.571 1.00 26.50 C ATOM 654 C ALA A 88 3.974 18.020 19.216 1.00 25.85 C ATOM 655 O ALA A 88 4.801 17.109 19.172 1.00 26.83 O ATOM 656 CB ALA A 88 1.585 17.788 18.396 1.00 26.59 C ATOM 657 N PHE A 89 4.311 19.272 19.025 1.00 26.05 N ATOM 658 CA PHE A 89 5.685 19.677 18.663 1.00 25.40 C ATOM 659 C PHE A 89 6.685 19.077 19.632 1.00 26.45 C ATOM 660 O PHE A 89 7.762 18.567 19.283 1.00 26.96 O ATOM 661 CB PHE A 89 5.889 21.196 18.507 1.00 24.71 C ATOM 662 CG PHE A 89 7.239 21.547 17.908 1.00 23.54 C ATOM 663 CD1 PHE A 89 7.409 21.469 16.528 1.00 23.85 C ATOM 664 CD2 PHE A 89 8.308 21.893 18.691 1.00 23.54 C ATOM 665 CE1 PHE A 89 8.613 21.757 15.920 1.00 24.16 C ATOM 666 CE2 PHE A 89 9.554 22.158 18.125 1.00 23.98 C ATOM 667 CZ PHE A 89 9.700 22.094 16.720 1.00 24.42 C ATOM 668 N ARG A 90 6.372 19.177 20.906 1.00 27.51 N ATOM 669 CA ARG A 90 7.228 18.748 22.030 1.00 25.31 C ATOM 670 C ARG A 90 7.405 17.241 22.098 1.00 24.20 C ATOM 671 O ARG A 90 8.431 16.746 22.587 1.00 23.34 O ATOM 672 CB ARG A 90 6.557 19.308 23.281 1.00 29.17 C ATOM 673 CG ARG A 90 7.410 20.190 24.173 1.00 32.87 C ATOM 674 CD ARG A 90 6.533 20.850 25.184 1.00 35.26 C ATOM 675 NE ARG A 90 6.498 22.289 25.015 1.00 36.79 N ATOM 676 CZ ARG A 90 5.371 22.972 25.326 1.00 35.53 C ATOM 677 NH1 ARG A 90 4.317 22.347 25.817 1.00 33.01 N ATOM 678 NH2 ARG A 90 5.380 24.279 25.077 1.00 35.93 N ATOM 679 N VAL A 91 6.375 16.507 21.720 1.00 25.01 N ATOM 680 CA VAL A 91 6.472 15.037 21.731 1.00 26.13 C ATOM 681 C VAL A 91 7.302 14.664 20.488 1.00 25.63 C ATOM 682 O VAL A 91 8.161 13.795 20.613 1.00 26.21 O ATOM 683 CB VAL A 91 5.200 14.271 21.950 1.00 27.85 C ATOM 684 CG1 VAL A 91 4.009 15.127 22.357 1.00 30.40 C ATOM 685 CG2 VAL A 91 4.863 13.237 20.893 1.00 26.50 C ATOM 686 N PHE A 92 7.073 15.363 19.389 1.00 25.62 N ATOM 687 CA PHE A 92 7.887 15.081 18.187 1.00 26.07 C ATOM 688 C PHE A 92 9.353 15.407 18.477 1.00 25.59 C ATOM 689 O PHE A 92 10.210 14.575 18.163 1.00 26.73 O ATOM 690 CB PHE A 92 7.405 15.794 16.946 1.00 27.76 C ATOM 691 CG PHE A 92 6.316 15.166 16.154 1.00 29.87 C ATOM 692 CD1 PHE A 92 6.623 14.258 15.138 1.00 32.55 C ATOM 693 CD2 PHE A 92 4.986 15.496 16.365 1.00 30.05 C ATOM 694 CE1 PHE A 92 5.640 13.693 14.349 1.00 31.99 C ATOM 695 CE2 PHE A 92 3.974 14.931 15.612 1.00 31.98 C ATOM 696 CZ PHE A 92 4.304 14.029 14.592 1.00 33.48 C ATOM 697 N ASP A 93 9.657 16.549 19.036 1.00 25.32 N ATOM 698 CA ASP A 93 11.015 17.016 19.296 1.00 26.46 C ATOM 699 C ASP A 93 11.696 16.350 20.481 1.00 29.23 C ATOM 700 O ASP A 93 12.063 17.019 21.486 1.00 29.69 O ATOM 701 CB ASP A 93 11.007 18.564 19.411 1.00 24.95 C ATOM 702 CG ASP A 93 12.436 19.049 19.574 1.00 26.14 C ATOM 703 OD1 ASP A 93 12.724 20.092 20.169 1.00 26.27 O ATOM 704 OD2 ASP A 93 13.313 18.284 19.079 1.00 25.89 O ATOM 705 N LYS A 94 11.908 15.057 20.362 1.00 31.24 N ATOM 706 CA LYS A 94 12.497 14.190 21.353 1.00 33.24 C ATOM 707 C LYS A 94 13.696 14.763 22.085 1.00 34.46 C ATOM 708 O LYS A 94 13.841 14.412 23.286 1.00 35.31 O ATOM 709 CB LYS A 94 12.814 12.774 20.799 1.00 34.63 C ATOM 710 CG LYS A 94 13.493 11.891 21.848 1.00 37.73 C ATOM 711 CD LYS A 94 13.079 10.439 21.921 1.00 39.67 C ATOM 712 CE LYS A 94 13.680 9.755 23.156 1.00 42.07 C ATOM 713 NZ LYS A 94 12.656 8.910 23.878 1.00 42.47 N ATOM 714 N ASP A 95 14.540 15.568 21.489 1.00 34.76 N ATOM 715 CA ASP A 95 15.732 16.121 22.164 1.00 35.22 C ATOM 716 C ASP A 95 15.566 17.594 22.527 1.00 36.20 C ATOM 717 O ASP A 95 16.595 18.314 22.554 1.00 38.51 O ATOM 718 CB ASP A 95 16.976 15.883 21.312 1.00 35.51 C ATOM 719 CG ASP A 95 17.150 16.709 20.057 1.00 35.52 C ATOM 720 OD1 ASP A 95 18.141 16.471 19.302 1.00 37.30 O ATOM 721 OD2 ASP A 95 16.327 17.598 19.757 1.00 30.91 O ATOM 722 N GLY A 96 14.368 18.052 22.770 1.00 35.42 N ATOM 723 CA GLY A 96 14.054 19.448 23.070 1.00 35.38 C ATOM 724 C GLY A 96 15.115 20.401 22.539 1.00 35.29 C ATOM 725 O GLY A 96 15.722 21.158 23.326 1.00 36.72 O ATOM 726 N ASN A 97 15.369 20.346 21.240 1.00 34.60 N ATOM 727 CA ASN A 97 16.412 21.228 20.674 1.00 32.77 C ATOM 728 C ASN A 97 15.823 22.292 19.759 1.00 30.62 C ATOM 729 O ASN A 97 16.582 23.130 19.267 1.00 31.21 O ATOM 730 CB ASN A 97 17.544 20.389 20.083 1.00 35.04 C ATOM 731 CG ASN A 97 17.270 19.993 18.647 1.00 35.76 C ATOM 732 OD1 ASN A 97 16.081 19.835 18.263 1.00 35.79 O ATOM 733 ND2 ASN A 97 18.367 19.874 17.902 1.00 35.63 N ATOM 734 N GLY A 98 14.534 22.304 19.572 1.00 28.61 N ATOM 735 CA GLY A 98 13.790 23.244 18.782 1.00 27.92 C ATOM 736 C GLY A 98 13.438 22.756 17.395 1.00 28.50 C ATOM 737 O GLY A 98 12.622 23.373 16.710 1.00 28.94 O ATOM 738 N TYR A 99 14.059 21.664 16.990 1.00 29.81 N ATOM 739 CA TYR A 99 13.925 21.042 15.674 1.00 28.03 C ATOM 740 C TYR A 99 13.589 19.557 15.656 1.00 26.08 C ATOM 741 O TYR A 99 14.140 18.763 16.433 1.00 25.69 O ATOM 742 CB TYR A 99 15.313 21.115 14.973 1.00 29.27 C ATOM 743 CG TYR A 99 15.812 22.552 14.918 1.00 31.59 C ATOM 744 CD1 TYR A 99 16.926 22.908 15.679 1.00 34.02 C ATOM 745 CD2 TYR A 99 15.194 23.506 14.142 1.00 29.78 C ATOM 746 CE1 TYR A 99 17.424 24.235 15.633 1.00 33.85 C ATOM 747 CE2 TYR A 99 15.675 24.808 14.082 1.00 30.50 C ATOM 748 CZ TYR A 99 16.783 25.155 14.830 1.00 31.43 C ATOM 749 OH TYR A 99 17.239 26.434 14.785 1.00 33.87 O ATOM 750 N ILE A 100 12.711 19.258 14.725 1.00 23.80 N ATOM 751 CA ILE A 100 12.281 17.894 14.440 1.00 22.98 C ATOM 752 C ILE A 100 13.151 17.317 13.304 1.00 22.05 C ATOM 753 O ILE A 100 12.820 17.683 12.171 1.00 24.45 O ATOM 754 CB ILE A 100 10.776 17.841 14.012 1.00 20.38 C ATOM 755 CG1 ILE A 100 9.853 18.254 15.207 1.00 19.21 C ATOM 756 CG2 ILE A 100 10.410 16.415 13.494 1.00 19.27 C ATOM 757 CD1 ILE A 100 8.369 18.437 14.684 1.00 20.06 C ATOM 758 N SER A 101 14.058 16.447 13.542 1.00 21.23 N ATOM 759 CA SER A 101 14.920 15.873 12.492 1.00 21.42 C ATOM 760 C SER A 101 14.292 14.580 11.987 1.00 22.34 C ATOM 761 O SER A 101 13.267 14.136 12.539 1.00 22.38 O ATOM 762 CB SER A 101 16.315 15.693 13.031 1.00 21.44 C ATOM 763 OG SER A 101 16.264 14.689 14.058 1.00 26.69 O ATOM 764 N ALA A 102 14.832 14.006 10.948 1.00 21.18 N ATOM 765 CA ALA A 102 14.314 12.795 10.319 1.00 23.62 C ATOM 766 C ALA A 102 14.259 11.601 11.264 1.00 23.14 C ATOM 767 O ALA A 102 13.290 10.824 11.264 1.00 23.23 O ATOM 768 CB ALA A 102 15.123 12.470 9.058 1.00 23.52 C ATOM 769 N ALA A 103 15.287 11.485 12.063 1.00 23.25 N ATOM 770 CA ALA A 103 15.453 10.440 13.083 1.00 22.67 C ATOM 771 C ALA A 103 14.288 10.496 14.064 1.00 22.32 C ATOM 772 O ALA A 103 13.735 9.415 14.405 1.00 23.79 O ATOM 773 CB ALA A 103 16.781 10.688 13.804 1.00 19.74 C ATOM 774 N GLU A 104 13.943 11.707 14.464 1.00 20.78 N ATOM 775 CA GLU A 104 12.850 11.993 15.399 1.00 22.25 C ATOM 776 C GLU A 104 11.478 11.713 14.823 1.00 22.43 C ATOM 777 O GLU A 104 10.690 10.994 15.506 1.00 23.28 O ATOM 778 CB GLU A 104 12.904 13.416 15.979 1.00 20.41 C ATOM 779 CG GLU A 104 14.169 13.576 16.888 1.00 23.03 C ATOM 780 CD GLU A 104 14.374 14.938 17.460 1.00 23.80 C ATOM 781 OE1 GLU A 104 14.063 15.928 16.839 1.00 24.34 O ATOM 782 OE2 GLU A 104 14.887 15.027 18.597 1.00 23.40 O ATOM 783 N LEU A 105 11.178 12.191 13.633 1.00 20.64 N ATOM 784 CA LEU A 105 9.881 11.946 13.000 1.00 20.68 C ATOM 785 C LEU A 105 9.713 10.471 12.706 1.00 20.98 C ATOM 786 O LEU A 105 8.586 9.935 12.696 1.00 23.25 O ATOM 787 CB LEU A 105 9.809 12.786 11.686 1.00 18.83 C ATOM 788 CG LEU A 105 8.522 12.577 10.876 1.00 19.08 C ATOM 789 CD1 LEU A 105 7.359 13.148 11.667 1.00 16.86 C ATOM 790 CD2 LEU A 105 8.606 13.313 9.535 1.00 18.27 C ATOM 791 N ARG A 106 10.823 9.818 12.384 1.00 21.26 N ATOM 792 CA ARG A 106 10.773 8.368 12.077 1.00 21.22 C ATOM 793 C ARG A 106 10.446 7.633 13.407 1.00 21.33 C ATOM 794 O ARG A 106 9.501 6.832 13.356 1.00 20.58 O ATOM 795 CB ARG A 106 11.976 7.813 11.404 1.00 21.01 C ATOM 796 CG ARG A 106 11.814 6.426 10.757 1.00 25.66 C ATOM 797 CD ARG A 106 13.053 6.096 9.931 1.00 26.49 C ATOM 798 NE ARG A 106 13.887 5.101 10.604 1.00 32.27 N ATOM 799 CZ ARG A 106 15.092 5.395 11.098 1.00 33.89 C ATOM 800 NH1 ARG A 106 15.657 6.595 10.957 1.00 36.84 N ATOM 801 NH2 ARG A 106 15.778 4.502 11.795 1.00 35.15 N ATOM 802 N HIS A 107 11.165 7.861 14.461 1.00 21.78 N ATOM 803 CA HIS A 107 10.869 7.219 15.761 1.00 25.24 C ATOM 804 C HIS A 107 9.392 7.368 16.129 1.00 26.72 C ATOM 805 O HIS A 107 8.684 6.376 16.270 1.00 28.82 O ATOM 806 CB HIS A 107 11.624 7.787 16.957 1.00 26.54 C ATOM 807 CG HIS A 107 11.505 6.984 18.221 1.00 31.91 C ATOM 808 ND1 HIS A 107 11.925 5.682 18.368 1.00 33.04 N ATOM 809 CD2 HIS A 107 11.058 7.386 19.449 1.00 32.21 C ATOM 810 CE1 HIS A 107 11.723 5.325 19.643 1.00 34.61 C ATOM 811 NE2 HIS A 107 11.217 6.335 20.311 1.00 33.66 N ATOM 812 N VAL A 108 8.930 8.615 16.278 1.00 27.17 N ATOM 813 CA VAL A 108 7.512 8.783 16.616 1.00 26.18 C ATOM 814 C VAL A 108 6.597 8.239 15.564 1.00 25.36 C ATOM 815 O VAL A 108 5.501 7.737 15.936 1.00 25.49 O ATOM 816 CB VAL A 108 7.210 10.212 17.159 1.00 26.85 C ATOM 817 CG1 VAL A 108 8.345 11.169 17.118 1.00 24.59 C ATOM 818 CG2 VAL A 108 5.930 10.759 16.556 1.00 27.13 C ATOM 819 N MET A 109 6.963 8.272 14.285 1.00 25.53 N ATOM 820 CA MET A 109 5.998 7.736 13.245 1.00 24.50 C ATOM 821 C MET A 109 5.773 6.245 13.476 1.00 24.22 C ATOM 822 O MET A 109 4.667 5.681 13.265 1.00 20.61 O ATOM 823 CB MET A 109 6.466 8.172 11.891 1.00 26.74 C ATOM 824 CG MET A 109 5.414 8.645 10.959 1.00 30.19 C ATOM 825 SD MET A 109 4.337 9.966 11.688 1.00 30.88 S ATOM 826 CE MET A 109 2.972 9.789 10.531 1.00 30.94 C ATOM 827 N THR A 110 6.833 5.584 13.977 1.00 22.82 N ATOM 828 CA THR A 110 6.769 4.154 14.259 1.00 25.63 C ATOM 829 C THR A 110 5.875 3.850 15.457 1.00 26.49 C ATOM 830 O THR A 110 5.111 2.853 15.376 1.00 26.61 O ATOM 831 CB THR A 110 8.144 3.384 14.184 1.00 25.36 C ATOM 832 OG1 THR A 110 8.291 2.656 15.437 1.00 29.07 O ATOM 833 CG2 THR A 110 9.351 4.215 13.856 1.00 21.63 C ATOM 834 N ASN A 111 5.837 4.707 16.450 1.00 28.28 N ATOM 835 CA ASN A 111 4.940 4.588 17.601 1.00 30.53 C ATOM 836 C ASN A 111 3.469 4.852 17.205 1.00 30.69 C ATOM 837 O ASN A 111 2.599 4.502 18.001 1.00 32.60 O ATOM 838 CB ASN A 111 5.300 5.496 18.770 1.00 32.34 C ATOM 839 CG ASN A 111 6.627 5.169 19.390 1.00 35.66 C ATOM 840 OD1 ASN A 111 7.371 6.121 19.697 1.00 39.23 O ATOM 841 ND2 ASN A 111 6.950 3.892 19.564 1.00 35.15 N ATOM 842 N LEU A 112 3.206 5.482 16.100 1.00 30.07 N ATOM 843 CA LEU A 112 1.869 5.768 15.597 1.00 28.23 C ATOM 844 C LEU A 112 1.402 4.617 14.716 1.00 26.61 C ATOM 845 O LEU A 112 0.287 4.682 14.169 1.00 27.63 O ATOM 846 CB LEU A 112 1.843 7.130 14.870 1.00 29.78 C ATOM 847 CG LEU A 112 1.459 8.291 15.799 1.00 31.39 C ATOM 848 CD1 LEU A 112 2.153 8.111 17.162 1.00 31.44 C ATOM 849 CD2 LEU A 112 1.894 9.606 15.182 1.00 32.38 C ATOM 850 N GLY A 113 2.279 3.639 14.579 1.00 24.50 N ATOM 851 CA GLY A 113 2.030 2.437 13.838 1.00 22.55 C ATOM 852 C GLY A 113 2.455 2.420 12.394 1.00 21.93 C ATOM 853 O GLY A 113 2.029 1.497 11.659 1.00 19.26 O ATOM 854 N GLU A 114 3.301 3.349 12.004 1.00 21.68 N ATOM 855 CA GLU A 114 3.803 3.360 10.602 1.00 22.05 C ATOM 856 C GLU A 114 5.316 3.253 10.567 1.00 21.37 C ATOM 857 O GLU A 114 5.992 4.190 11.048 1.00 20.72 O ATOM 858 CB GLU A 114 3.471 4.704 9.933 1.00 24.29 C ATOM 859 CG GLU A 114 1.990 4.999 9.662 1.00 26.70 C ATOM 860 CD GLU A 114 1.490 4.231 8.455 1.00 28.16 C ATOM 861 OE1 GLU A 114 2.243 3.901 7.537 1.00 27.63 O ATOM 862 OE2 GLU A 114 0.266 4.022 8.554 1.00 28.00 O ATOM 863 N LYS A 115 5.819 2.198 10.003 1.00 21.64 N ATOM 864 CA LYS A 115 7.297 1.989 9.843 1.00 21.12 C ATOM 865 C LYS A 115 7.640 2.392 8.389 1.00 20.12 C ATOM 866 O LYS A 115 7.323 1.806 7.330 1.00 17.54 O ATOM 867 CB LYS A 115 7.655 0.590 10.229 1.00 24.33 C ATOM 868 CG LYS A 115 6.880 -0.042 11.395 1.00 26.90 C ATOM 869 CD LYS A 115 7.205 -1.574 11.425 1.00 28.99 C ATOM 870 CE LYS A 115 8.688 -1.781 11.621 1.00 30.16 C ATOM 871 NZ LYS A 115 9.183 -3.166 11.475 1.00 29.27 N ATOM 872 N LEU A 116 8.214 3.568 8.342 1.00 20.01 N ATOM 873 CA LEU A 116 8.649 4.371 7.195 1.00 18.57 C ATOM 874 C LEU A 116 10.173 4.237 6.979 1.00 17.70 C ATOM 875 O LEU A 116 10.887 4.254 7.980 1.00 14.86 O ATOM 876 CB LEU A 116 8.394 5.839 7.587 1.00 19.68 C ATOM 877 CG LEU A 116 7.142 6.533 7.122 1.00 25.82 C ATOM 878 CD1 LEU A 116 5.930 5.627 7.053 1.00 25.03 C ATOM 879 CD2 LEU A 116 6.918 7.725 8.064 1.00 26.27 C ATOM 880 N THR A 117 10.588 4.172 5.720 1.00 15.15 N ATOM 881 CA THR A 117 12.050 4.085 5.485 1.00 15.18 C ATOM 882 C THR A 117 12.613 5.488 5.633 1.00 16.67 C ATOM 883 O THR A 117 11.800 6.444 5.696 1.00 14.88 O ATOM 884 CB THR A 117 12.279 3.454 4.071 1.00 11.17 C ATOM 885 OG1 THR A 117 11.945 4.535 3.187 1.00 9.01 O ATOM 886 CG2 THR A 117 11.452 2.199 3.748 1.00 12.22 C ATOM 887 N ASP A 118 13.937 5.615 5.679 1.00 17.80 N ATOM 888 CA ASP A 118 14.577 6.930 5.770 1.00 19.25 C ATOM 889 C ASP A 118 14.152 7.792 4.553 1.00 18.91 C ATOM 890 O ASP A 118 14.156 9.029 4.717 1.00 19.50 O ATOM 891 CB ASP A 118 16.106 6.892 5.818 1.00 24.98 C ATOM 892 CG ASP A 118 16.714 8.300 5.850 1.00 31.41 C ATOM 893 OD1 ASP A 118 17.645 8.602 5.075 1.00 33.11 O ATOM 894 OD2 ASP A 118 16.220 9.134 6.672 1.00 32.81 O ATOM 895 N GLU A 119 13.882 7.231 3.427 1.00 16.60 N ATOM 896 CA GLU A 119 13.527 7.937 2.234 1.00 18.40 C ATOM 897 C GLU A 119 12.132 8.572 2.316 1.00 18.59 C ATOM 898 O GLU A 119 11.947 9.673 1.795 1.00 17.05 O ATOM 899 CB GLU A 119 13.502 7.056 0.971 1.00 23.48 C ATOM 900 CG GLU A 119 12.795 7.627 -0.242 1.00 29.58 C ATOM 901 CD GLU A 119 13.053 6.986 -1.570 1.00 35.87 C ATOM 902 OE1 GLU A 119 12.199 6.538 -2.331 1.00 38.86 O ATOM 903 OE2 GLU A 119 14.282 6.938 -1.795 1.00 40.04 O ATOM 904 N GLU A 120 11.198 7.841 2.882 1.00 16.41 N ATOM 905 CA GLU A 120 9.830 8.325 3.044 1.00 17.26 C ATOM 906 C GLU A 120 9.779 9.426 4.065 1.00 19.11 C ATOM 907 O GLU A 120 8.980 10.369 3.831 1.00 20.89 O ATOM 908 CB GLU A 120 8.919 7.165 3.471 1.00 19.59 C ATOM 909 CG GLU A 120 8.770 6.102 2.371 1.00 19.47 C ATOM 910 CD GLU A 120 7.900 4.934 2.716 1.00 20.03 C ATOM 911 OE1 GLU A 120 7.073 4.563 1.922 1.00 20.71 O ATOM 912 OE2 GLU A 120 8.161 4.426 3.813 1.00 16.50 O ATOM 913 N VAL A 121 10.607 9.403 5.076 1.00 18.54 N ATOM 914 CA VAL A 121 10.669 10.437 6.135 1.00 20.31 C ATOM 915 C VAL A 121 11.329 11.702 5.591 1.00 21.54 C ATOM 916 O VAL A 121 10.965 12.841 5.882 1.00 21.38 O ATOM 917 CB VAL A 121 11.374 9.875 7.373 1.00 20.70 C ATOM 918 CG1 VAL A 121 11.969 10.892 8.317 1.00 22.82 C ATOM 919 CG2 VAL A 121 10.479 8.888 8.164 1.00 18.50 C ATOM 920 N ASP A 122 12.324 11.499 4.774 1.00 22.81 N ATOM 921 CA ASP A 122 13.075 12.553 4.111 1.00 24.21 C ATOM 922 C ASP A 122 12.095 13.418 3.289 1.00 23.64 C ATOM 923 O ASP A 122 12.221 14.641 3.282 1.00 23.73 O ATOM 924 CB ASP A 122 14.202 11.932 3.252 1.00 28.25 C ATOM 925 CG ASP A 122 15.483 11.953 4.062 1.00 34.52 C ATOM 926 OD1 ASP A 122 15.713 12.936 4.802 1.00 37.73 O ATOM 927 OD2 ASP A 122 16.238 10.963 3.996 1.00 38.28 O ATOM 928 N GLU A 123 11.213 12.764 2.582 1.00 22.51 N ATOM 929 CA GLU A 123 10.207 13.343 1.730 1.00 23.95 C ATOM 930 C GLU A 123 9.238 14.178 2.548 1.00 24.05 C ATOM 931 O GLU A 123 8.807 15.229 2.003 1.00 24.49 O ATOM 932 CB GLU A 123 9.406 12.350 0.924 1.00 26.77 C ATOM 933 CG GLU A 123 8.497 12.917 -0.163 1.00 35.03 C ATOM 934 CD GLU A 123 7.800 11.855 -0.967 1.00 38.38 C ATOM 935 OE1 GLU A 123 6.719 11.946 -1.511 1.00 41.33 O ATOM 936 OE2 GLU A 123 8.515 10.817 -0.980 1.00 42.45 O ATOM 937 N MET A 124 8.926 13.751 3.733 1.00 23.42 N ATOM 938 CA MET A 124 8.072 14.439 4.692 1.00 24.68 C ATOM 939 C MET A 124 8.742 15.748 5.139 1.00 24.29 C ATOM 940 O MET A 124 8.097 16.795 5.074 1.00 24.55 O ATOM 941 CB MET A 124 7.685 13.598 5.922 1.00 24.69 C ATOM 942 CG MET A 124 6.754 12.508 5.424 1.00 30.17 C ATOM 943 SD MET A 124 6.342 11.427 6.855 1.00 32.88 S ATOM 944 CE MET A 124 4.856 12.289 7.404 1.00 31.99 C ATOM 945 N ILE A 125 9.961 15.655 5.595 1.00 24.86 N ATOM 946 CA ILE A 125 10.750 16.847 5.993 1.00 26.18 C ATOM 947 C ILE A 125 10.753 17.827 4.804 1.00 27.79 C ATOM 948 O ILE A 125 10.240 18.936 4.902 1.00 28.15 O ATOM 949 CB ILE A 125 12.150 16.370 6.445 1.00 25.69 C ATOM 950 CG1 ILE A 125 11.951 15.445 7.699 1.00 26.27 C ATOM 951 CG2 ILE A 125 13.202 17.455 6.777 1.00 24.29 C ATOM 952 CD1 ILE A 125 11.640 16.154 8.997 1.00 24.12 C ATOM 953 N ARG A 126 11.273 17.412 3.660 1.00 27.56 N ATOM 954 CA ARG A 126 11.371 18.236 2.471 1.00 28.83 C ATOM 955 C ARG A 126 10.121 19.067 2.260 1.00 30.72 C ATOM 956 O ARG A 126 10.175 20.298 2.190 1.00 30.64 O ATOM 957 CB ARG A 126 11.710 17.433 1.195 1.00 26.95 C ATOM 958 CG ARG A 126 13.208 17.047 1.232 1.00 28.29 C ATOM 959 CD ARG A 126 13.658 16.644 -0.132 1.00 27.65 C ATOM 960 NE ARG A 126 13.336 15.262 -0.470 1.00 28.99 N ATOM 961 CZ ARG A 126 12.558 14.944 -1.484 1.00 27.26 C ATOM 962 NH1 ARG A 126 11.957 15.891 -2.175 1.00 31.36 N ATOM 963 NH2 ARG A 126 12.382 13.716 -1.893 1.00 28.50 N ATOM 964 N GLU A 127 9.022 18.366 2.089 1.00 31.44 N ATOM 965 CA GLU A 127 7.724 18.974 1.862 1.00 33.67 C ATOM 966 C GLU A 127 7.427 20.133 2.806 1.00 34.39 C ATOM 967 O GLU A 127 6.789 21.128 2.376 1.00 36.18 O ATOM 968 CB GLU A 127 6.623 17.917 2.005 1.00 35.25 C ATOM 969 CG GLU A 127 5.184 18.391 1.920 1.00 38.03 C ATOM 970 CD GLU A 127 4.178 17.377 1.517 1.00 39.16 C ATOM 971 OE1 GLU A 127 2.973 17.550 1.630 1.00 42.84 O ATOM 972 OE2 GLU A 127 4.684 16.354 1.029 1.00 40.62 O ATOM 973 N ALA A 128 7.847 20.078 4.051 1.00 32.57 N ATOM 974 CA ALA A 128 7.571 21.118 5.020 1.00 31.61 C ATOM 975 C ALA A 128 8.742 22.028 5.345 1.00 32.04 C ATOM 976 O ALA A 128 8.500 23.007 6.087 1.00 34.08 O ATOM 977 CB ALA A 128 7.100 20.462 6.330 1.00 30.58 C ATOM 978 N ASN A 129 9.933 21.729 4.922 1.00 30.36 N ATOM 979 CA ASN A 129 11.140 22.484 5.227 1.00 31.50 C ATOM 980 C ASN A 129 11.310 23.710 4.327 1.00 33.93 C ATOM 981 O ASN A 129 11.619 23.618 3.115 1.00 35.63 O ATOM 982 CB ASN A 129 12.269 21.482 5.181 1.00 26.41 C ATOM 983 CG ASN A 129 13.604 22.086 5.542 1.00 25.55 C ATOM 984 OD1 ASN A 129 13.666 23.014 6.366 1.00 27.52 O ATOM 985 ND2 ASN A 129 14.650 21.555 4.923 1.00 22.00 N ATOM 986 N ILE A 130 11.083 24.868 4.910 1.00 35.18 N ATOM 987 CA ILE A 130 11.162 26.175 4.220 1.00 35.52 C ATOM 988 C ILE A 130 12.560 26.742 4.220 1.00 36.61 C ATOM 989 O ILE A 130 13.161 26.910 3.146 1.00 37.62 O ATOM 990 CB ILE A 130 10.081 27.118 4.843 1.00 34.65 C ATOM 991 CG1 ILE A 130 8.695 26.475 4.662 1.00 32.49 C ATOM 992 CG2 ILE A 130 10.102 28.572 4.276 1.00 35.48 C ATOM 993 CD1 ILE A 130 7.536 27.297 5.275 1.00 34.04 C ATOM 994 N ASP A 131 13.143 26.994 5.374 1.00 37.83 N ATOM 995 CA ASP A 131 14.490 27.585 5.494 1.00 38.66 C ATOM 996 C ASP A 131 15.594 26.660 5.005 1.00 39.22 C ATOM 997 O ASP A 131 16.789 27.007 5.137 1.00 40.58 O ATOM 998 CB ASP A 131 14.704 28.096 6.923 1.00 39.48 C ATOM 999 CG ASP A 131 14.959 26.954 7.889 1.00 39.54 C ATOM 1000 OD1 ASP A 131 15.078 27.133 9.112 1.00 40.55 O ATOM 1001 OD2 ASP A 131 15.096 25.841 7.343 1.00 39.55 O ATOM 1002 N GLY A 132 15.246 25.509 4.492 1.00 38.31 N ATOM 1003 CA GLY A 132 16.074 24.483 3.963 1.00 36.25 C ATOM 1004 C GLY A 132 17.166 23.967 4.841 1.00 36.24 C ATOM 1005 O GLY A 132 18.301 23.695 4.342 1.00 37.47 O ATOM 1006 N ASP A 133 16.913 23.784 6.118 1.00 35.34 N ATOM 1007 CA ASP A 133 17.961 23.224 7.010 1.00 34.73 C ATOM 1008 C ASP A 133 17.785 21.710 7.061 1.00 34.91 C ATOM 1009 O ASP A 133 18.650 21.089 7.709 1.00 36.08 O ATOM 1010 CB ASP A 133 18.005 23.909 8.348 1.00 36.96 C ATOM 1011 CG ASP A 133 16.755 23.757 9.211 1.00 39.16 C ATOM 1012 OD1 ASP A 133 16.821 24.148 10.404 1.00 39.27 O ATOM 1013 OD2 ASP A 133 15.730 23.258 8.690 1.00 37.53 O ATOM 1014 N GLY A 134 16.780 21.133 6.419 1.00 33.04 N ATOM 1015 CA GLY A 134 16.597 19.670 6.441 1.00 32.83 C ATOM 1016 C GLY A 134 15.947 19.212 7.759 1.00 33.05 C ATOM 1017 O GLY A 134 15.861 18.001 8.073 1.00 33.07 O ATOM 1018 N GLN A 135 15.437 20.157 8.506 1.00 32.08 N ATOM 1019 CA GLN A 135 14.802 20.011 9.811 1.00 31.24 C ATOM 1020 C GLN A 135 13.467 20.752 9.846 1.00 31.25 C ATOM 1021 O GLN A 135 13.288 21.657 9.023 1.00 30.82 O ATOM 1022 CB GLN A 135 15.673 20.632 10.911 1.00 30.93 C ATOM 1023 CG GLN A 135 16.314 19.613 11.782 1.00 34.94 C ATOM 1024 CD GLN A 135 17.660 20.045 12.294 1.00 38.72 C ATOM 1025 OE1 GLN A 135 18.100 21.196 12.192 1.00 40.14 O ATOM 1026 NE2 GLN A 135 18.331 19.049 12.877 1.00 39.99 N ATOM 1027 N VAL A 136 12.611 20.379 10.798 1.00 30.57 N ATOM 1028 CA VAL A 136 11.302 21.075 10.853 1.00 31.00 C ATOM 1029 C VAL A 136 11.269 21.767 12.199 1.00 31.45 C ATOM 1030 O VAL A 136 11.462 21.126 13.259 1.00 31.50 O ATOM 1031 CB VAL A 136 10.181 20.115 10.510 1.00 33.07 C ATOM 1032 CG1 VAL A 136 10.430 18.753 11.159 1.00 36.69 C ATOM 1033 CG2 VAL A 136 8.775 20.607 10.855 1.00 33.74 C ATOM 1034 N ASN A 137 11.103 23.068 12.077 1.00 30.90 N ATOM 1035 CA ASN A 137 11.008 23.901 13.320 1.00 30.91 C ATOM 1036 C ASN A 137 9.526 24.179 13.558 1.00 29.60 C ATOM 1037 O ASN A 137 8.658 23.803 12.742 1.00 28.20 O ATOM 1038 CB ASN A 137 11.962 25.058 13.217 1.00 34.19 C ATOM 1039 CG ASN A 137 11.584 26.158 12.248 1.00 33.42 C ATOM 1040 OD1 ASN A 137 12.470 27.027 12.073 1.00 36.95 O ATOM 1041 ND2 ASN A 137 10.399 26.183 11.663 1.00 32.72 N ATOM 1042 N TYR A 138 9.269 24.804 14.689 1.00 30.34 N ATOM 1043 CA TYR A 138 7.918 25.107 15.152 1.00 32.03 C ATOM 1044 C TYR A 138 7.099 25.810 14.103 1.00 31.66 C ATOM 1045 O TYR A 138 5.946 25.454 13.771 1.00 31.90 O ATOM 1046 CB TYR A 138 7.924 25.850 16.530 1.00 35.12 C ATOM 1047 CG TYR A 138 6.471 25.985 16.957 1.00 38.66 C ATOM 1048 CD1 TYR A 138 5.683 24.845 17.170 1.00 39.42 C ATOM 1049 CD2 TYR A 138 5.875 27.239 17.030 1.00 41.46 C ATOM 1050 CE1 TYR A 138 4.330 24.958 17.494 1.00 41.80 C ATOM 1051 CE2 TYR A 138 4.518 27.370 17.350 1.00 43.42 C ATOM 1052 CZ TYR A 138 3.759 26.229 17.576 1.00 42.93 C ATOM 1053 OH TYR A 138 2.440 26.412 17.876 1.00 44.56 O ATOM 1054 N GLU A 139 7.721 26.830 13.545 1.00 32.34 N ATOM 1055 CA GLU A 139 7.168 27.636 12.441 1.00 32.30 C ATOM 1056 C GLU A 139 6.781 26.763 11.264 1.00 30.85 C ATOM 1057 O GLU A 139 5.631 26.802 10.793 1.00 30.85 O ATOM 1058 CB GLU A 139 8.211 28.645 11.965 1.00 34.81 C ATOM 1059 CG GLU A 139 7.807 29.590 10.863 1.00 36.98 C ATOM 1060 CD GLU A 139 8.549 30.924 10.853 1.00 37.77 C ATOM 1061 OE1 GLU A 139 8.326 31.646 9.903 1.00 37.85 O ATOM 1062 OE2 GLU A 139 9.325 31.166 11.800 1.00 34.45 O ATOM 1063 N GLU A 140 7.732 25.965 10.767 1.00 30.72 N ATOM 1064 CA GLU A 140 7.390 25.044 9.626 1.00 29.98 C ATOM 1065 C GLU A 140 6.327 24.057 10.076 1.00 29.01 C ATOM 1066 O GLU A 140 5.337 23.789 9.351 1.00 28.53 O ATOM 1067 CB GLU A 140 8.647 24.350 9.129 1.00 30.25 C ATOM 1068 CG GLU A 140 9.780 25.306 8.658 1.00 32.90 C ATOM 1069 CD GLU A 140 11.126 24.668 8.574 1.00 33.83 C ATOM 1070 OE1 GLU A 140 11.416 23.758 9.341 1.00 36.56 O ATOM 1071 OE2 GLU A 140 11.900 25.077 7.693 1.00 31.41 O ATOM 1072 N PHE A 141 6.443 23.555 11.293 1.00 28.49 N ATOM 1073 CA PHE A 141 5.474 22.608 11.866 1.00 30.40 C ATOM 1074 C PHE A 141 4.031 23.091 11.859 1.00 31.15 C ATOM 1075 O PHE A 141 3.147 22.324 11.377 1.00 30.73 O ATOM 1076 CB PHE A 141 5.919 22.132 13.251 1.00 31.29 C ATOM 1077 CG PHE A 141 5.079 21.047 13.866 1.00 32.83 C ATOM 1078 CD1 PHE A 141 4.063 21.364 14.756 1.00 33.90 C ATOM 1079 CD2 PHE A 141 5.330 19.697 13.583 1.00 32.92 C ATOM 1080 CE1 PHE A 141 3.286 20.381 15.357 1.00 33.07 C ATOM 1081 CE2 PHE A 141 4.570 18.703 14.186 1.00 33.47 C ATOM 1082 CZ PHE A 141 3.529 19.046 15.063 1.00 31.84 C ATOM 1083 N VAL A 142 3.753 24.276 12.352 1.00 34.10 N ATOM 1084 CA VAL A 142 2.377 24.816 12.411 1.00 37.11 C ATOM 1085 C VAL A 142 1.749 25.007 11.021 1.00 39.75 C ATOM 1086 O VAL A 142 0.534 24.773 10.807 1.00 38.37 O ATOM 1087 CB VAL A 142 2.259 26.081 13.260 1.00 38.73 C ATOM 1088 CG1 VAL A 142 3.437 26.416 14.159 1.00 39.30 C ATOM 1089 CG2 VAL A 142 1.892 27.286 12.399 1.00 39.11 C ATOM 1090 N GLN A 143 2.568 25.454 10.082 1.00 42.88 N ATOM 1091 CA GLN A 143 2.121 25.667 8.701 1.00 46.79 C ATOM 1092 C GLN A 143 1.809 24.291 8.085 1.00 49.07 C ATOM 1093 O GLN A 143 1.026 24.216 7.123 1.00 49.22 O ATOM 1094 CB GLN A 143 3.125 26.375 7.801 1.00 48.54 C ATOM 1095 CG GLN A 143 4.220 27.124 8.530 1.00 50.96 C ATOM 1096 CD GLN A 143 4.528 28.429 7.811 1.00 53.63 C ATOM 1097 OE1 GLN A 143 3.800 28.781 6.881 1.00 54.98 O ATOM 1098 NE2 GLN A 143 5.586 29.107 8.245 1.00 54.98 N ATOM 1099 N MET A 144 2.489 23.288 8.659 1.00 50.98 N ATOM 1100 CA MET A 144 2.294 21.909 8.132 1.00 53.05 C ATOM 1101 C MET A 144 1.047 21.289 8.743 1.00 54.18 C ATOM 1102 O MET A 144 0.302 20.566 8.062 1.00 53.97 O ATOM 1103 CB MET A 144 3.548 21.109 8.261 1.00 53.03 C ATOM 1104 CG MET A 144 3.719 19.975 7.335 1.00 55.70 C ATOM 1105 SD MET A 144 3.101 20.167 5.659 1.00 58.32 S ATOM 1106 CE MET A 144 3.990 21.574 5.021 1.00 56.18 C ATOM 1107 N MET A 145 0.826 21.586 10.009 1.00 56.06 N ATOM 1108 CA MET A 145 -0.327 21.086 10.763 1.00 58.00 C ATOM 1109 C MET A 145 -1.631 21.706 10.261 1.00 59.46 C ATOM 1110 O MET A 145 -2.500 21.028 9.684 1.00 60.43 O ATOM 1111 CB MET A 145 -0.166 21.301 12.268 1.00 58.36 C ATOM 1112 CG MET A 145 -0.138 19.941 12.947 1.00 60.17 C ATOM 1113 SD MET A 145 1.527 19.227 12.659 1.00 63.04 S ATOM 1114 CE MET A 145 1.033 17.605 12.029 1.00 62.20 C ATOM 1115 N THR A 146 -1.729 22.987 10.497 1.00 60.38 N ATOM 1116 CA THR A 146 -2.833 23.864 10.177 1.00 61.37 C ATOM 1117 C THR A 146 -3.048 24.133 8.701 1.00 61.74 C ATOM 1118 O THR A 146 -4.185 24.037 8.210 1.00 62.27 O ATOM 1119 CB THR A 146 -2.579 25.269 10.896 1.00 61.80 C ATOM 1120 OG1 THR A 146 -1.616 25.931 10.004 1.00 62.48 O ATOM 1121 CG2 THR A 146 -2.099 25.108 12.328 1.00 61.07 C ATOM 1122 N ALA A 147 -1.985 24.535 8.027 1.00 62.07 N ATOM 1123 CA ALA A 147 -2.095 24.829 6.582 1.00 62.41 C ATOM 1124 C ALA A 147 -1.250 23.827 5.799 1.00 62.64 C ATOM 1125 O ALA A 147 -1.938 22.966 5.190 1.00 63.20 O ATOM 1126 CB ALA A 147 -1.738 26.270 6.293 1.00 63.07 C TER 1127 ALA A 147 HETATM 1128 CA CA A 149 -13.638 53.352 31.500 1.00 12.29 CA HETATM 1129 CA CA A 150 -17.797 50.156 20.859 1.00 15.64 CA HETATM 1130 CA CA A 151 15.035 17.711 17.954 1.00 28.17 CA HETATM 1131 CA CA A 152 13.784 23.887 8.345 1.00 29.20 CA HETATM 1132 O HOH A 153 -13.778 55.464 30.321 1.21 24.05 O HETATM 1133 O HOH A 154 -19.894 49.838 21.919 0.81 17.79 O HETATM 1134 O HOH A 155 16.666 16.967 17.051 0.91 41.58 O HETATM 1135 O HOH A 156 14.421 24.967 10.651 0.91 28.87 O HETATM 1136 O HOH A 157 -11.041 31.091 36.589 0.77 47.13 O HETATM 1137 O HOH A 158 -12.366 35.525 41.927 0.82 45.23 O HETATM 1138 O HOH A 159 -17.093 56.520 27.305 1.20 14.68 O HETATM 1139 O HOH A 160 -23.350 49.504 31.087 0.60 30.25 O HETATM 1140 O HOH A 161 0.573 52.219 34.162 0.46 30.16 O HETATM 1141 O HOH A 162 -19.465 45.348 13.131 0.77 40.01 O HETATM 1142 O HOH A 163 -7.045 44.227 20.122 0.63 41.06 O HETATM 1143 O HOH A 164 -2.950 31.829 19.122 0.77 37.43 O HETATM 1144 O HOH A 165 6.128 29.697 25.535 1.10 48.36 O HETATM 1145 O HOH A 166 16.987 9.497 18.405 0.96 42.10 O HETATM 1146 O HOH A 167 16.396 13.372 19.463 0.86 30.10 O HETATM 1147 O HOH A 168 16.327 0.928 11.822 0.67 28.85 O HETATM 1148 O HOH A 169 -0.714 5.840 6.211 0.62 45.21 O HETATM 1149 O HOH A 170 8.092 1.518 4.876 0.64 21.16 O HETATM 1150 O HOH A 171 11.166 -1.160 2.784 0.47 33.99 O HETATM 1151 O HOH A 172 5.722 1.937 1.824 0.42 25.50 O HETATM 1152 O HOH A 173 0.627 17.269 0.901 0.49 41.85 O HETATM 1153 O HOH A 174 13.812 24.259 1.011 0.89 36.14 O HETATM 1154 O HOH A 175 -15.922 58.274 31.632 0.88 28.58 O HETATM 1155 O HOH A 176 8.938 51.956 25.567 0.46 38.91 O HETATM 1156 O HOH A 177 -21.975 39.385 37.146 0.65 44.78 O HETATM 1157 O HOH A 178 -10.076 48.872 37.565 0.75 17.37 O HETATM 1158 O HOH A 179 -20.835 55.472 35.127 0.50 30.55 O HETATM 1159 O HOH A 180 -18.023 55.742 24.938 0.80 12.20 O HETATM 1160 O HOH A 181 15.885 -2.513 14.053 0.49 45.89 O HETATM 1161 O HOH A 182 8.855 -1.406 6.966 0.59 19.85 O HETATM 1162 O HOH A 183 -23.904 51.047 20.170 1.25 12.46 O HETATM 1163 O HOH A 184 9.042 34.751 11.243 0.88 31.45 O HETATM 1164 O HOH A 185 15.137 27.759 13.785 0.72 34.64 O HETATM 1165 O HOH A 186 -2.849 5.607 15.419 0.54 34.36 O HETATM 1166 O HOH A 187 3.549 0.244 9.732 0.71 21.28 O HETATM 1167 O HOH A 188 14.541 6.336 14.185 0.76 27.11 O HETATM 1168 O HOH A 189 11.002 2.826 10.145 0.47 29.41 O HETATM 1169 O HOH A 190 -11.331 55.945 19.770 0.89 29.27 O HETATM 1170 O HOH A 191 -11.065 55.126 23.155 0.76 23.14 O HETATM 1171 O HOH A 192 -15.835 42.898 19.625 0.92 26.67 O HETATM 1172 O HOH A 193 -13.260 45.967 13.864 0.82 29.59 O HETATM 1173 O HOH A 194 4.129 49.311 15.900 0.67 28.94 O HETATM 1174 O HOH A 195 8.645 50.861 28.099 0.72 24.58 O HETATM 1175 O HOH A 196 -2.424 56.273 26.868 0.52 25.18 O HETATM 1176 O HOH A 197 9.762 47.482 29.169 0.93 16.02 O HETATM 1177 O HOH A 198 -28.354 35.633 40.152 0.65 31.63 O HETATM 1178 O HOH A 199 -21.933 52.628 32.415 0.77 28.77 O HETATM 1179 O HOH A 200 11.746 0.231 0.587 0.53 38.97 O HETATM 1180 O HOH A 201 8.687 4.188 -0.266 0.50 42.82 O HETATM 1181 O HOH A 202 9.836 -1.594 0.025 0.79 36.31 O HETATM 1182 O HOH A 203 -3.602 19.501 3.085 0.95 32.22 O HETATM 1183 O HOH A 204 -17.887 28.277 27.371 0.64 34.37 O HETATM 1184 O HOH A 205 -16.207 25.116 26.904 0.71 31.90 O HETATM 1185 O HOH A 206 -22.499 43.524 34.136 0.69 32.05 O HETATM 1186 O HOH A 207 -14.314 48.906 37.516 0.79 28.82 O HETATM 1187 O HOH A 208 -3.214 48.771 35.576 0.82 24.44 O HETATM 1188 O HOH A 209 -13.136 53.920 39.325 0.77 32.38 O HETATM 1189 O HOH A 210 -9.152 53.432 39.194 0.77 30.58 O HETATM 1190 O HOH A 211 2.326 54.639 26.681 0.68 24.92 O HETATM 1191 O HOH A 212 8.090 55.249 28.619 0.86 30.56 O HETATM 1192 O HOH A 213 5.578 55.794 23.736 0.62 31.51 O HETATM 1193 O HOH A 214 -13.301 51.692 14.740 0.65 33.85 O HETATM 1194 O HOH A 215 -14.444 40.388 17.611 0.75 27.38 O HETATM 1195 O HOH A 216 0.604 29.279 29.056 0.55 34.07 O HETATM 1196 O HOH A 217 11.022 18.208 24.091 0.78 26.48 O HETATM 1197 O HOH A 218 14.949 8.685 9.236 0.72 25.08 O HETATM 1198 O HOH A 219 5.100 0.329 14.277 0.65 23.97 O HETATM 1199 O HOH A 220 16.164 5.422 -2.253 0.79 30.34 O HETATM 1200 O HOH A 221 -5.039 20.754 10.530 0.71 28.82 O CONECT 134 1128 CONECT 150 1128 CONECT 163 1128 CONECT 171 1128 CONECT 213 1128 CONECT 214 1128 CONECT 404 1129 CONECT 417 1129 CONECT 428 1129 CONECT 437 1129 CONECT 482 1129 CONECT 483 1129 CONECT 704 1130 CONECT 721 1130 CONECT 732 1130 CONECT 741 1130 CONECT 781 1130 CONECT 782 1130 CONECT 984 1131 CONECT 1001 1131 CONECT 1013 1131 CONECT 1021 1131 CONECT 1070 1131 CONECT 1071 1131 CONECT 1128 134 150 163 171 CONECT 1128 213 214 1132 CONECT 1129 404 417 428 437 CONECT 1129 482 483 1133 CONECT 1130 704 721 732 741 CONECT 1130 781 782 1134 CONECT 1131 984 1001 1013 1021 CONECT 1131 1070 1071 1135 CONECT 1132 1128 CONECT 1133 1129 CONECT 1134 1130 CONECT 1135 1131 MASTER 371 0 4 7 4 0 20 6 1199 1 36 12 END A second structure was input as follows:HEADER SIGNALING PROTEIN 04-SEP-03 1QX5 TITLE CRYSTAL STRUCTURE OF APOCALMODULIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALMODULIN; COMPND 3 CHAIN: D, I, B, J, K, T, R, Y; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: CALM1, CAM1, CALM, CAM, CALM2, CAM2, CAMB, CALM3, CAM3, CAMC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET23B KEYWDS APOCALMODULIN, DOMAIN SWAP, DIMER, EF HANDS, CALCIUM BINDING PROTEIN, KEYWDS 2 SIGNALING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.A.SCHUMACHER,M.CRUM,M.C.MILLER REVDAT 3 14-FEB-24 1QX5 1 REMARK REVDAT 2 24-FEB-09 1QX5 1 VERSN REVDAT 1 31-AUG-04 1QX5 0 JRNL AUTH M.A.SCHUMACHER,M.CRUM,M.C.MILLER JRNL TITL CRYSTAL STRUCTURES OF APOCALMODULIN AND AN APOCALMODULIN/SK JRNL TITL 2 POTASSIUM CHANNEL GATING DOMAIN COMPLEX. JRNL REF STRUCTURE V. 12 849 2004 JRNL REFN ISSN 0969-2126 JRNL PMID 15130477 JRNL DOI 10.1016/J.STR.2004.03.017 REMARK 2 REMARK 2 RESOLUTION. 2.54 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.54 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 66.39 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.5 REMARK 3 NUMBER OF REFLECTIONS : 60402 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.227 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3041 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.54 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.70 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 9531 REMARK 3 BIN R VALUE (WORKING SET) : 0.4000 REMARK 3 BIN FREE R VALUE : 0.4930 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 511 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.022 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 9158 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 175 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 75.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 71.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.81000 REMARK 3 B22 (A**2) : -0.81000 REMARK 3 B33 (A**2) : 1.61000 REMARK 3 B12 (A**2) : 9.51000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 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 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.48 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.51 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.018 REMARK 3 BOND ANGLES (DEGREES) : 1.600 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 21.60 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.080 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 60.81 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1QX5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-SEP-03. REMARK 100 THE DEPOSITION ID IS D_1000020175. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-FEB-03 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.989 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 61810 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.540 REMARK 200 RESOLUTION RANGE LOW (A) : 66.400 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04700 REMARK 200 FOR THE DATA SET : 10.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.54 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.70 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.6 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 65.71 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CITRATE, 150 MM NACL, HEPES , PH 6.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,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 26.00000 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 52.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3, 4 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 300 REMARK: APOCAM FORMS A DOMAIN SWAPPED DIMER: THERE ARE FOUR, REMARK 300 ESSENTIALLY IDENTICAL DIMERS IN THE ASU 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5100 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14400 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -37.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, Y 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5160 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14510 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: I, R 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 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5190 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14460 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -37.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: J, T 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 350 REMARK 350 BIOMOLECULE: 4 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5090 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14030 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, K 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 ALA D 1 REMARK 465 ALA D 147 REMARK 465 LYS D 148 REMARK 465 ALA I 1 REMARK 465 ALA I 147 REMARK 465 LYS I 148 REMARK 465 ALA B 1 REMARK 465 ALA B 147 REMARK 465 LYS B 148 REMARK 465 ALA J 1 REMARK 465 ASP J 2 REMARK 465 ALA J 147 REMARK 465 LYS J 148 REMARK 465 ALA K 1 REMARK 465 ASP K 2 REMARK 465 GLN K 3 REMARK 465 ALA K 147 REMARK 465 LYS K 148 REMARK 465 ALA T 1 REMARK 465 ALA T 147 REMARK 465 LYS T 148 REMARK 465 ALA R 1 REMARK 465 ALA Y 1 REMARK 465 ALA Y 147 REMARK 465 LYS Y 148 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 ND2 ASN K 97 O HOH K 164 2.11 REMARK 500 ND2 ASN I 97 O HOH I 171 2.17 REMARK 500 OE1 GLU D 87 O HOH D 164 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU D 83 CG GLU D 83 CD 0.100 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 D 90 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ARG I 37 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ARG I 90 NE - CZ - NH1 ANGL. DEV. = -3.0 DEGREES REMARK 500 ARG I 106 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ASP I 131 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP R 129 CB - CG - OD1 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP Y 129 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP Y 131 CB - CG - OD2 ANGL. DEV. = -6.6 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 ASP D 20 62.49 -102.99 REMARK 500 ASP D 22 -92.32 -52.55 REMARK 500 VAL D 55 -78.28 -100.50 REMARK 500 ASP D 56 65.02 -63.73 REMARK 500 ALA D 57 32.80 -97.41 REMARK 500 ASN D 111 -72.13 -72.66 REMARK 500 ASP D 131 -172.67 -65.23 REMARK 500 PHE I 19 44.54 -97.00 REMARK 500 ASP I 24 -88.92 -76.49 REMARK 500 VAL I 55 -106.98 -71.12 REMARK 500 ASP I 56 81.55 -65.38 REMARK 500 LYS I 77 2.58 -61.87 REMARK 500 ASP I 78 -74.02 -116.46 REMARK 500 THR I 79 108.71 -31.83 REMARK 500 PHE B 19 34.33 -90.31 REMARK 500 ASP B 20 65.36 -119.69 REMARK 500 ASN B 42 77.66 -158.91 REMARK 500 VAL B 55 55.74 -147.91 REMARK 500 ASP B 56 84.18 -162.08 REMARK 500 ASN B 60 -5.01 -57.02 REMARK 500 ASP B 78 -58.09 -120.59 REMARK 500 ASN B 111 -51.99 -145.45 REMARK 500 PHE J 19 44.30 -101.70 REMARK 500 GLU J 45 -39.18 -38.72 REMARK 500 VAL J 55 -81.82 -75.69 REMARK 500 ASP J 56 99.49 -53.33 REMARK 500 ASP J 78 69.63 -109.93 REMARK 500 LYS J 115 12.27 -62.06 REMARK 500 ASP J 133 2.33 -64.22 REMARK 500 MET J 145 49.95 -87.07 REMARK 500 LYS K 21 -79.32 -39.97 REMARK 500 ASP K 22 -78.67 -48.37 REMARK 500 ASP K 50 5.19 -66.48 REMARK 500 VAL K 55 -86.99 -119.20 REMARK 500 ASP K 56 17.89 -68.05 REMARK 500 ALA K 57 35.24 -74.66 REMARK 500 ASP K 58 14.58 -145.06 REMARK 500 ASN K 60 -41.11 -141.96 REMARK 500 LYS K 75 32.08 -172.07 REMARK 500 THR K 79 99.68 -37.92 REMARK 500 ASN K 111 -49.72 -146.83 REMARK 500 THR T 5 -174.52 -69.44 REMARK 500 ASP T 20 74.61 -118.22 REMARK 500 VAL T 55 -98.92 -89.46 REMARK 500 ALA T 57 42.99 -80.12 REMARK 500 ASP T 58 24.76 -142.79 REMARK 500 ASP T 78 58.91 -91.59 REMARK 500 ASP T 95 87.17 -160.35 REMARK 500 THR T 110 32.44 -89.99 REMARK 500 ASN T 111 -40.00 -157.53 REMARK 500 REMARK 500 THIS ENTRY HAS 61 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 PHE D 92 0.07 SIDE CHAIN REMARK 500 TYR R 99 0.08 SIDE CHAIN REMARK 500 TYR Y 138 0.07 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CFC RELATED DB: PDB REMARK 900 NMR APOCAM STRUCTURE REMARK 900 RELATED ID: 1CFD RELATED DB: PDB REMARK 900 NMR APOCAM STRUCTURE REMARK 900 RELATED ID: 1CLL RELATED DB: PDB REMARK 900 CA2+/CAM REMARK 900 RELATED ID: 1G4Y RELATED DB: PDB REMARK 900 STRUCTURE OF GATING OF SK CHANNEL COMPLEXED WITH CA2+/CAM REMARK 900 RELATED ID: 1QX7 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF APOCAM BOUND TO THE GATING DOMAIN OF SMALL REMARK 900 CONDUCTANCE CA2+-ACTIVATED POTASSIUM CHANNEL DBREF 1QX5 D 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 I 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 B 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 J 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 K 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 T 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 R 1 148 UNP P62161 CALM_RAT 1 148 DBREF 1QX5 Y 1 148 UNP P62161 CALM_RAT 1 148 SEQRES 1 D 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 D 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 D 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 D 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 D 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 D 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 D 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 D 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 D 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 D 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 D 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 D 148 MET MET THR ALA LYS SEQRES 1 I 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 I 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 I 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 I 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 I 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 I 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 I 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 I 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 I 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 I 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 I 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 I 148 MET MET THR ALA LYS SEQRES 1 B 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 B 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 B 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 B 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 B 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 B 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 B 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 B 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 B 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 B 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 B 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 B 148 MET MET THR ALA LYS SEQRES 1 J 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 J 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 J 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 J 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 J 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 J 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 J 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 J 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 J 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 J 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 J 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 J 148 MET MET THR ALA LYS SEQRES 1 K 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 K 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 K 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 K 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 K 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 K 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 K 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 K 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 K 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 K 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 K 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 K 148 MET MET THR ALA LYS SEQRES 1 T 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 T 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 T 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 T 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 T 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 T 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 T 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 T 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 T 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 T 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 T 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 T 148 MET MET THR ALA LYS SEQRES 1 R 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 R 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 R 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 R 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 R 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 R 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 R 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 R 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 R 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 R 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 R 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 R 148 MET MET THR ALA LYS SEQRES 1 Y 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 Y 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 Y 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 Y 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 Y 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 Y 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 Y 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 Y 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 Y 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 Y 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 Y 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 Y 148 MET MET THR ALA LYS FORMUL 9 HOH *175(H2 O) HELIX 1 1 THR D 5 PHE D 19 1 15 HELIX 2 2 THR D 29 LEU D 39 1 11 HELIX 3 3 THR D 44 VAL D 55 1 12 HELIX 4 4 PHE D 65 LYS D 77 1 13 HELIX 5 5 SER D 81 VAL D 91 1 11 HELIX 6 6 ALA D 102 LYS D 115 1 14 HELIX 7 7 THR D 117 ALA D 128 1 12 HELIX 8 8 TYR D 138 THR D 146 1 9 SHEET 1 1 1 THR D 26 THR D 28 0 SHEET 2 2 1 THR D 62 ASP D 64 0 SHEET 3 3 1 TYR D 99 SER D 101 0 SHEET 4 4 1 GLN D 135 ASN D 137 0 CRYST1 146.000 146.000 78.000 90.00 90.00 120.00 P 31 24 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 0.006849 0.003954 0.000000 0.00000 SCALE2 0.000000 0.007909 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012821 0.00000 ATOM 1 N ASP D 2 16.793 63.097 -37.231 1.00111.25 N ATOM 2 CA ASP D 2 18.283 63.108 -37.076 1.00111.93 C ATOM 3 C ASP D 2 18.817 61.669 -37.114 1.00110.56 C ATOM 4 O ASP D 2 18.229 60.762 -36.505 1.00110.71 O ATOM 5 CB ASP D 2 18.670 63.800 -35.756 1.00114.20 C ATOM 6 CG ASP D 2 20.156 64.146 -35.677 1.00116.13 C ATOM 7 OD1 ASP D 2 20.704 64.757 -36.628 1.00116.22 O ATOM 8 OD2 ASP D 2 20.777 63.816 -34.645 1.00117.97 O ATOM 9 N GLN D 3 19.926 61.476 -37.837 1.00107.14 N ATOM 10 CA GLN D 3 20.552 60.160 -38.017 1.00103.26 C ATOM 11 C GLN D 3 21.858 60.018 -37.256 1.00 99.51 C ATOM 12 O GLN D 3 22.476 61.006 -36.865 1.00101.19 O ATOM 13 CB GLN D 3 20.821 59.901 -39.516 1.00103.02 C ATOM 14 CG GLN D 3 19.588 60.046 -40.419 1.00103.76 C ATOM 15 CD GLN D 3 18.641 58.842 -40.361 1.00103.02 C ATOM 16 OE1 GLN D 3 17.433 58.970 -40.602 1.00101.28 O ATOM 17 NE2 GLN D 3 19.191 57.667 -40.062 1.00101.07 N ATOM 18 N LEU D 4 22.276 58.776 -37.053 1.00 94.25 N ATOM 19 CA LEU D 4 23.527 58.497 -36.360 1.00 89.16 C ATOM 20 C LEU D 4 24.694 58.570 -37.337 1.00 84.90 C ATOM 21 O LEU D 4 24.586 58.119 -38.476 1.00 86.49 O ATOM 22 CB LEU D 4 23.480 57.096 -35.724 1.00 88.87 C ATOM 23 CG LEU D 4 22.544 56.879 -34.519 1.00 87.37 C ATOM 24 CD1 LEU D 4 22.204 55.417 -34.401 1.00 87.19 C ATOM 25 CD2 LEU D 4 23.192 57.376 -33.236 1.00 85.10 C ATOM 26 N THR D 5 25.802 59.149 -36.895 1.00 80.06 N ATOM 27 CA THR D 5 27.005 59.244 -37.720 1.00 75.79 C ATOM 28 C THR D 5 27.629 57.856 -37.876 1.00 72.90 C ATOM 29 O THR D 5 27.205 56.892 -37.227 1.00 71.07 O ATOM 30 CB THR D 5 28.068 60.154 -37.080 1.00 74.91 C ATOM 31 OG1 THR D 5 28.814 59.411 -36.095 1.00 70.14 O ATOM 32 CG2 THR D 5 27.391 61.394 -36.460 1.00 73.82 C ATOM 33 N GLU D 6 28.637 57.749 -38.728 1.00 69.42 N ATOM 34 CA GLU D 6 29.251 56.459 -38.922 1.00 71.64 C ATOM 35 C GLU D 6 30.149 56.114 -37.763 1.00 68.67 C ATOM 36 O GLU D 6 30.328 54.933 -37.456 1.00 67.18 O ATOM 37 CB GLU D 6 30.030 56.403 -40.242 1.00 76.61 C ATOM 38 CG GLU D 6 30.997 57.521 -40.456 1.00 83.98 C ATOM 39 CD GLU D 6 32.284 57.029 -41.042 1.00 89.78 C ATOM 40 OE1 GLU D 6 32.728 57.641 -42.044 1.00 92.76 O ATOM 41 OE2 GLU D 6 32.843 56.033 -40.501 1.00 90.62 O ATOM 42 N GLU D 7 30.703 57.143 -37.116 1.00 67.08 N ATOM 43 CA GLU D 7 31.589 56.959 -35.947 1.00 65.43 C ATOM 44 C GLU D 7 30.747 56.394 -34.787 1.00 58.77 C ATOM 45 O GLU D 7 31.189 55.474 -34.097 1.00 52.71 O ATOM 46 CB GLU D 7 32.260 58.288 -35.545 1.00 73.03 C ATOM 47 CG GLU D 7 33.232 58.845 -36.604 1.00 83.63 C ATOM 48 CD GLU D 7 32.522 59.441 -37.836 1.00 91.20 C ATOM 49 OE1 GLU D 7 33.152 59.516 -38.926 1.00 91.14 O ATOM 50 OE2 GLU D 7 31.339 59.851 -37.712 1.00 92.24 O ATOM 51 N GLN D 8 29.549 56.950 -34.595 1.00 51.27 N ATOM 52 CA GLN D 8 28.627 56.461 -33.587 1.00 55.28 C ATOM 53 C GLN D 8 28.333 54.996 -33.873 1.00 57.22 C ATOM 54 O GLN D 8 28.656 54.111 -33.072 1.00 56.44 O ATOM 55 CB GLN D 8 27.304 57.219 -33.634 1.00 56.23 C ATOM 56 CG GLN D 8 27.368 58.571 -32.994 1.00 59.01 C ATOM 57 CD GLN D 8 26.063 59.293 -33.095 1.00 63.09 C ATOM 58 OE1 GLN D 8 25.719 59.800 -34.150 1.00 69.38 O ATOM 59 NE2 GLN D 8 25.309 59.335 -31.999 1.00 67.87 N ATOM 60 N ILE D 9 27.730 54.743 -35.036 1.00 55.53 N ATOM 61 CA ILE D 9 27.398 53.384 -35.429 1.00 48.65 C ATOM 62 C ILE D 9 28.575 52.471 -35.202 1.00 44.88 C ATOM 63 O ILE D 9 28.428 51.389 -34.690 1.00 47.85 O ATOM 64 CB ILE D 9 26.983 53.326 -36.909 1.00 51.35 C ATOM 65 CG1 ILE D 9 25.707 54.150 -37.114 1.00 55.14 C ATOM 66 CG2 ILE D 9 26.768 51.867 -37.370 1.00 53.80 C ATOM 67 CD1 ILE D 9 25.352 54.349 -38.588 1.00 53.07 C ATOM 68 N ALA D 10 29.760 52.901 -35.565 1.00 44.61 N ATOM 69 CA ALA D 10 30.884 52.007 -35.428 1.00 49.40 C ATOM 70 C ALA D 10 31.188 51.626 -33.937 1.00 56.39 C ATOM 71 O ALA D 10 31.427 50.448 -33.649 1.00 59.25 O ATOM 72 CB ALA D 10 32.072 52.617 -36.145 1.00 42.32 C ATOM 73 N GLU D 11 31.108 52.606 -33.010 1.00 62.86 N ATOM 74 CA GLU D 11 31.280 52.423 -31.534 1.00 60.93 C ATOM 75 C GLU D 11 30.177 51.471 -31.028 1.00 56.76 C ATOM 76 O GLU D 11 30.459 50.434 -30.446 1.00 60.16 O ATOM 77 CB GLU D 11 31.116 53.761 -30.773 1.00 64.50 C ATOM 78 CG GLU D 11 31.827 54.956 -31.380 1.00 67.40 C ATOM 79 CD GLU D 11 31.276 56.330 -30.940 1.00 72.81 C ATOM 80 OE1 GLU D 11 30.077 56.433 -30.512 1.00 73.35 O ATOM 81 OE2 GLU D 11 32.048 57.326 -31.060 1.00 66.07 O ATOM 82 N PHE D 12 28.919 51.819 -31.210 1.00 51.98 N ATOM 83 CA PHE D 12 27.884 50.884 -30.779 1.00 57.64 C ATOM 84 C PHE D 12 28.136 49.447 -31.264 1.00 59.24 C ATOM 85 O PHE D 12 27.705 48.496 -30.634 1.00 63.21 O ATOM 86 CB PHE D 12 26.506 51.321 -31.286 1.00 54.26 C ATOM 87 CG PHE D 12 26.104 52.718 -30.848 1.00 58.19 C ATOM 88 CD1 PHE D 12 26.775 53.358 -29.809 1.00 62.11 C ATOM 89 CD2 PHE D 12 25.043 53.386 -31.461 1.00 57.81 C ATOM 90 CE1 PHE D 12 26.395 54.635 -29.387 1.00 63.05 C ATOM 91 CE2 PHE D 12 24.648 54.672 -31.046 1.00 57.28 C ATOM 92 CZ PHE D 12 25.330 55.292 -30.008 1.00 62.69 C ATOM 93 N LYS D 13 28.833 49.273 -32.382 1.00 62.46 N ATOM 94 CA LYS D 13 29.057 47.930 -32.901 1.00 60.85 C ATOM 95 C LYS D 13 30.289 47.324 -32.252 1.00 58.48 C ATOM 96 O LYS D 13 30.343 46.130 -31.955 1.00 53.67 O ATOM 97 CB LYS D 13 29.176 48.002 -34.422 1.00 64.39 C ATOM 98 CG LYS D 13 29.489 46.711 -35.077 1.00 68.36 C ATOM 99 CD LYS D 13 28.259 45.880 -35.157 1.00 78.69 C ATOM 100 CE LYS D 13 28.625 44.461 -35.505 1.00 82.13 C ATOM 101 NZ LYS D 13 29.425 43.843 -34.398 1.00 87.96 N ATOM 102 N GLU D 14 31.285 48.155 -32.008 1.00 61.86 N ATOM 103 CA GLU D 14 32.491 47.672 -31.357 1.00 69.64 C ATOM 104 C GLU D 14 32.185 47.254 -29.900 1.00 71.26 C ATOM 105 O GLU D 14 32.715 46.243 -29.392 1.00 72.79 O ATOM 106 CB GLU D 14 33.558 48.762 -31.377 1.00 74.04 C ATOM 107 CG GLU D 14 34.990 48.234 -31.241 1.00 82.78 C ATOM 108 CD GLU D 14 36.041 49.355 -31.167 1.00 90.35 C ATOM 109 OE1 GLU D 14 37.251 49.053 -31.364 1.00 95.63 O ATOM 110 OE2 GLU D 14 35.668 50.529 -30.900 1.00 90.03 O ATOM 111 N ALA D 15 31.333 48.025 -29.226 1.00 66.65 N ATOM 112 CA ALA D 15 30.981 47.691 -27.844 1.00 65.14 C ATOM 113 C ALA D 15 30.081 46.465 -27.797 1.00 61.91 C ATOM 114 O ALA D 15 30.274 45.605 -26.933 1.00 62.63 O ATOM 115 CB ALA D 15 30.298 48.865 -27.161 1.00 56.52 C ATOM 116 N PHE D 16 29.114 46.385 -28.722 1.00 55.83 N ATOM 117 CA PHE D 16 28.187 45.243 -28.769 1.00 55.26 C ATOM 118 C PHE D 16 28.947 43.923 -28.889 1.00 58.16 C ATOM 119 O PHE D 16 28.726 42.983 -28.123 1.00 60.60 O ATOM 120 CB PHE D 16 27.233 45.368 -29.949 1.00 52.33 C ATOM 121 CG PHE D 16 26.092 44.370 -29.937 1.00 52.45 C ATOM 122 CD1 PHE D 16 24.857 44.689 -29.329 1.00 56.34 C ATOM 123 CD2 PHE D 16 26.249 43.098 -30.493 1.00 49.13 C ATOM 124 CE1 PHE D 16 23.795 43.734 -29.270 1.00 51.12 C ATOM 125 CE2 PHE D 16 25.216 42.140 -30.444 1.00 44.77 C ATOM 126 CZ PHE D 16 23.983 42.455 -29.829 1.00 48.91 C ATOM 127 N SER D 17 29.859 43.849 -29.846 1.00 59.47 N ATOM 128 CA SER D 17 30.610 42.614 -30.054 1.00 61.51 C ATOM 129 C SER D 17 31.591 42.315 -28.976 1.00 60.19 C ATOM 130 O SER D 17 31.917 41.161 -28.739 1.00 61.25 O ATOM 131 CB SER D 17 31.341 42.703 -31.369 1.00 61.24 C ATOM 132 OG SER D 17 31.658 44.063 -31.506 1.00 66.75 O ATOM 133 N LEU D 18 32.073 43.365 -28.324 1.00 65.35 N ATOM 134 CA LEU D 18 33.050 43.224 -27.260 1.00 62.84 C ATOM 135 C LEU D 18 32.485 42.416 -26.137 1.00 62.34 C ATOM 136 O LEU D 18 33.117 41.483 -25.696 1.00 62.90 O ATOM 137 CB LEU D 18 33.453 44.583 -26.713 1.00 64.31 C ATOM 138 CG LEU D 18 34.935 44.774 -26.392 1.00 61.99 C ATOM 139 CD1 LEU D 18 35.043 45.693 -25.158 1.00 55.08 C ATOM 140 CD2 LEU D 18 35.622 43.407 -26.195 1.00 58.06 C ATOM 141 N PHE D 19 31.293 42.758 -25.674 1.00 64.42 N ATOM 142 CA PHE D 19 30.731 42.039 -24.542 1.00 69.69 C ATOM 143 C PHE D 19 29.754 40.956 -24.925 1.00 74.04 C ATOM 144 O PHE D 19 28.949 40.496 -24.108 1.00 75.34 O ATOM 145 CB PHE D 19 30.087 43.016 -23.541 1.00 71.61 C ATOM 146 CG PHE D 19 31.031 44.084 -23.044 1.00 68.82 C ATOM 147 CD1 PHE D 19 30.859 45.407 -23.415 1.00 67.20 C ATOM 148 CD2 PHE D 19 32.102 43.756 -22.228 1.00 69.56 C ATOM 149 CE1 PHE D 19 31.727 46.382 -22.997 1.00 68.00 C ATOM 150 CE2 PHE D 19 32.973 44.731 -21.807 1.00 70.92 C ATOM 151 CZ PHE D 19 32.780 46.049 -22.195 1.00 70.30 C ATOM 152 N ASP D 20 29.828 40.550 -26.183 1.00 79.57 N ATOM 153 CA ASP D 20 29.005 39.471 -26.690 1.00 84.71 C ATOM 154 C ASP D 20 29.947 38.270 -26.757 1.00 88.97 C ATOM 155 O ASP D 20 30.222 37.723 -27.831 1.00 91.80 O ATOM 156 CB ASP D 20 28.486 39.829 -28.076 1.00 87.66 C ATOM 157 CG ASP D 20 27.906 38.636 -28.804 1.00 91.11 C ATOM 158 OD1 ASP D 20 27.041 37.913 -28.225 1.00 90.78 O ATOM 159 OD2 ASP D 20 28.329 38.438 -29.963 1.00 91.50 O ATOM 160 N LYS D 21 30.443 37.875 -25.589 1.00 91.17 N ATOM 161 CA LYS D 21 31.387 36.772 -25.474 1.00 93.60 C ATOM 162 C LYS D 21 31.159 35.647 -26.494 1.00 95.45 C ATOM 163 O LYS D 21 32.126 35.159 -27.089 1.00 97.69 O ATOM 164 CB LYS D 21 31.360 36.216 -24.047 1.00 92.32 C ATOM 165 CG LYS D 21 30.234 35.229 -23.762 1.00 93.66 C ATOM 166 CD LYS D 21 28.836 35.848 -23.903 1.00 93.05 C ATOM 167 CE LYS D 21 27.745 34.868 -23.422 1.00 92.73 C ATOM 168 NZ LYS D 21 26.333 35.338 -23.609 1.00 87.34 N ATOM 169 N ASP D 22 29.894 35.263 -26.709 1.00 95.51 N ATOM 170 CA ASP D 22 29.529 34.200 -27.654 1.00 94.99 C ATOM 171 C ASP D 22 30.110 34.414 -29.033 1.00 94.78 C ATOM 172 O ASP D 22 31.234 33.998 -29.324 1.00 97.13 O ATOM 173 CB ASP D 22 28.011 34.088 -27.778 1.00 96.07 C ATOM 174 CG ASP D 22 27.401 33.310 -26.642 1.00 97.74 C ATOM 175 OD1 ASP D 22 26.161 33.339 -26.478 1.00 98.72 O ATOM 176 OD2 ASP D 22 28.174 32.664 -25.914 1.00 96.84 O ATOM 177 N GLY D 23 29.339 35.068 -29.889 1.00 92.09 N ATOM 178 CA GLY D 23 29.795 35.312 -31.247 1.00 90.87 C ATOM 179 C GLY D 23 28.596 35.627 -32.117 1.00 90.56 C ATOM 180 O GLY D 23 28.729 36.112 -33.249 1.00 89.02 O ATOM 181 N ASP D 24 27.416 35.328 -31.569 1.00 90.04 N ATOM 182 CA ASP D 24 26.138 35.572 -32.234 1.00 90.32 C ATOM 183 C ASP D 24 25.676 36.954 -31.823 1.00 88.73 C ATOM 184 O ASP D 24 25.567 37.238 -30.631 1.00 91.90 O ATOM 185 CB ASP D 24 25.102 34.550 -31.794 1.00 91.27 C ATOM 186 CG ASP D 24 25.389 34.006 -30.420 1.00 95.55 C ATOM 187 OD1 ASP D 24 26.453 33.377 -30.272 1.00 95.98 O ATOM 188 OD2 ASP D 24 24.567 34.205 -29.489 1.00 97.05 O ATOM 189 N GLY D 25 25.402 37.803 -32.810 1.00 85.03 N ATOM 190 CA GLY D 25 24.958 39.160 -32.537 1.00 77.69 C ATOM 191 C GLY D 25 23.744 39.245 -31.637 1.00 73.47 C ATOM 192 O GLY D 25 22.769 39.896 -32.003 1.00 73.69 O ATOM 193 N THR D 26 23.820 38.577 -30.483 1.00 68.54 N ATOM 194 CA THR D 26 22.787 38.557 -29.453 1.00 69.77 C ATOM 195 C THR D 26 23.433 38.562 -28.050 1.00 68.08 C ATOM 196 O THR D 26 24.361 37.777 -27.775 1.00 67.67 O ATOM 197 CB THR D 26 21.876 37.310 -29.579 1.00 72.60 C ATOM 198 OG1 THR D 26 21.286 37.014 -28.311 1.00 69.71 O ATOM 199 CG2 THR D 26 22.677 36.122 -30.034 1.00 78.75 C ATOM 200 N ILE D 27 22.943 39.461 -27.185 1.00 63.77 N ATOM 201 CA ILE D 27 23.445 39.624 -25.817 1.00 60.99 C ATOM 202 C ILE D 27 22.316 39.622 -24.796 1.00 62.53 C ATOM 203 O ILE D 27 21.154 39.888 -25.128 1.00 62.78 O ATOM 204 CB ILE D 27 24.261 40.923 -25.682 1.00 59.65 C ATOM 205 CG1 ILE D 27 23.439 42.127 -26.199 1.00 53.93 C ATOM 206 CG2 ILE D 27 25.569 40.767 -26.424 1.00 52.68 C ATOM 207 CD1 ILE D 27 24.113 43.428 -26.048 1.00 50.74 C ATOM 208 N THR D 28 22.658 39.307 -23.552 1.00 65.27 N ATOM 209 CA THR D 28 21.672 39.230 -22.466 1.00 66.81 C ATOM 210 C THR D 28 21.421 40.581 -21.830 1.00 68.49 C ATOM 211 O THR D 28 22.175 41.534 -22.063 1.00 71.34 O ATOM 212 CB THR D 28 22.188 38.378 -21.391 1.00 67.65 C ATOM 213 OG1 THR D 28 23.197 39.124 -20.691 1.00 66.01 O ATOM 214 CG2 THR D 28 22.759 37.069 -21.988 1.00 62.72 C ATOM 215 N THR D 29 20.396 40.651 -20.988 1.00 65.83 N ATOM 216 CA THR D 29 20.030 41.913 -20.337 1.00 64.74 C ATOM 217 C THR D 29 21.185 42.588 -19.595 1.00 62.75 C ATOM 218 O THR D 29 21.326 43.811 -19.618 1.00 61.12 O ATOM 219 CB THR D 29 18.834 41.715 -19.356 1.00 64.49 C ATOM 220 OG1 THR D 29 17.676 41.303 -20.094 1.00 66.56 O ATOM 221 CG2 THR D 29 18.518 43.003 -18.631 1.00 61.38 C ATOM 222 N LYS D 30 22.010 41.778 -18.947 1.00 64.09 N ATOM 223 CA LYS D 30 23.134 42.301 -18.202 1.00 63.91 C ATOM 224 C LYS D 30 24.198 42.732 -19.173 1.00 60.69 C ATOM 225 O LYS D 30 24.772 43.813 -19.044 1.00 59.98 O ATOM 226 CB LYS D 30 23.719 41.242 -17.257 1.00 68.97 C ATOM 227 CG LYS D 30 22.848 40.900 -16.056 1.00 75.97 C ATOM 228 CD LYS D 30 23.670 40.247 -14.930 1.00 83.03 C ATOM 229 CE LYS D 30 24.429 41.313 -14.106 1.00 88.99 C ATOM 230 NZ LYS D 30 23.557 42.232 -13.272 1.00 89.10 N ATOM 231 N GLU D 31 24.462 41.891 -20.161 1.00 58.61 N ATOM 232 CA GLU D 31 25.502 42.226 -21.134 1.00 55.67 C ATOM 233 C GLU D 31 25.124 43.527 -21.787 1.00 47.24 C ATOM 234 O GLU D 31 26.002 44.281 -22.227 1.00 40.51 O ATOM 235 CB GLU D 31 25.618 41.134 -22.208 1.00 59.92 C ATOM 236 CG GLU D 31 26.715 40.084 -21.954 1.00 63.89 C ATOM 237 CD GLU D 31 26.432 38.696 -22.602 1.00 69.75 C ATOM 238 OE1 GLU D 31 27.359 37.843 -22.547 1.00 69.96 O ATOM 239 OE2 GLU D 31 25.302 38.455 -23.133 1.00 62.10 O ATOM 240 N LEU D 32 23.817 43.784 -21.853 1.00 39.88 N ATOM 241 CA LEU D 32 23.371 44.990 -22.504 1.00 42.91 C ATOM 242 C LEU D 32 23.804 46.118 -21.599 1.00 45.60 C ATOM 243 O LEU D 32 24.476 47.045 -22.041 1.00 49.78 O ATOM 244 CB LEU D 32 21.856 45.005 -22.682 1.00 38.62 C ATOM 245 CG LEU D 32 21.206 46.277 -23.282 1.00 36.86 C ATOM 246 CD1 LEU D 32 21.643 46.603 -24.675 1.00 29.19 C ATOM 247 CD2 LEU D 32 19.737 46.046 -23.307 1.00 35.05 C ATOM 248 N GLY D 33 23.457 46.006 -20.321 1.00 47.14 N ATOM 249 CA GLY D 33 23.815 47.026 -19.364 1.00 40.88 C ATOM 250 C GLY D 33 25.315 47.316 -19.354 1.00 39.82 C ATOM 251 O GLY D 33 25.735 48.491 -19.268 1.00 37.28 O ATOM 252 N THR D 34 26.149 46.287 -19.424 1.00 32.91 N ATOM 253 CA THR D 34 27.533 46.609 -19.394 1.00 34.29 C ATOM 254 C THR D 34 27.979 47.155 -20.747 1.00 41.89 C ATOM 255 O THR D 34 28.880 48.001 -20.861 1.00 50.32 O ATOM 256 CB THR D 34 28.373 45.425 -18.816 1.00 34.66 C ATOM 257 OG1 THR D 34 29.533 45.114 -19.634 1.00 40.46 O ATOM 258 CG2 THR D 34 27.527 44.269 -18.595 1.00 26.83 C ATOM 259 N VAL D 35 27.278 46.788 -21.792 1.00 46.32 N ATOM 260 CA VAL D 35 27.646 47.360 -23.071 1.00 46.02 C ATOM 261 C VAL D 35 27.369 48.847 -23.047 1.00 40.84 C ATOM 262 O VAL D 35 28.218 49.676 -23.416 1.00 40.31 O ATOM 263 CB VAL D 35 26.839 46.669 -24.204 1.00 51.10 C ATOM 264 CG1 VAL D 35 26.564 47.637 -25.374 1.00 43.39 C ATOM 265 CG2 VAL D 35 27.632 45.462 -24.664 1.00 50.31 C ATOM 266 N MET D 36 26.182 49.208 -22.612 1.00 32.67 N ATOM 267 CA MET D 36 25.866 50.629 -22.607 1.00 42.10 C ATOM 268 C MET D 36 26.740 51.446 -21.610 1.00 45.81 C ATOM 269 O MET D 36 26.918 52.645 -21.805 1.00 39.85 O ATOM 270 CB MET D 36 24.371 50.801 -22.271 1.00 42.96 C ATOM 271 CG MET D 36 23.419 50.910 -23.460 1.00 45.63 C ATOM 272 SD MET D 36 21.701 50.919 -22.945 1.00 57.98 S ATOM 273 CE MET D 36 21.738 49.366 -22.409 1.00 56.08 C ATOM 274 N ARG D 37 27.265 50.797 -20.548 1.00 43.73 N ATOM 275 CA ARG D 37 28.071 51.540 -19.576 1.00 41.30 C ATOM 276 C ARG D 37 29.420 51.679 -20.185 1.00 38.29 C ATOM 277 O ARG D 37 30.154 52.638 -19.916 1.00 39.13 O ATOM 278 CB ARG D 37 28.212 50.822 -18.200 1.00 34.56 C ATOM 279 CG ARG D 37 26.887 50.690 -17.464 1.00 34.10 C ATOM 280 CD ARG D 37 26.926 50.029 -16.078 1.00 37.15 C ATOM 281 NE ARG D 37 25.563 49.643 -15.764 1.00 35.53 N ATOM 282 CZ ARG D 37 25.138 48.377 -15.830 1.00 52.92 C ATOM 283 NH1 ARG D 37 26.014 47.425 -16.170 1.00 48.17 N ATOM 284 NH2 ARG D 37 23.846 48.047 -15.601 1.00 47.36 N ATOM 285 N SER D 38 29.769 50.707 -21.003 1.00 35.24 N ATOM 286 CA SER D 38 31.073 50.789 -21.618 1.00 40.69 C ATOM 287 C SER D 38 31.063 51.921 -22.568 1.00 36.24 C ATOM 288 O SER D 38 32.148 52.332 -22.961 1.00 39.07 O ATOM 289 CB SER D 38 31.502 49.501 -22.350 1.00 46.26 C ATOM 290 OG SER D 38 30.894 49.392 -23.626 1.00 51.86 O ATOM 291 N LEU D 39 29.865 52.433 -22.922 1.00 35.24 N ATOM 292 CA LEU D 39 29.742 53.616 -23.828 1.00 39.18 C ATOM 293 C LEU D 39 29.537 54.967 -23.125 1.00 45.29 C ATOM 294 O LEU D 39 29.313 56.024 -23.756 1.00 46.47 O ATOM 295 CB LEU D 39 28.609 53.427 -24.834 1.00 38.17 C ATOM 296 CG LEU D 39 28.715 52.321 -25.935 1.00 43.03 C ATOM 297 CD1 LEU D 39 27.338 52.061 -26.510 1.00 46.43 C ATOM 298 CD2 LEU D 39 29.631 52.720 -27.063 1.00 37.42 C ATOM 299 N GLY D 40 29.566 54.940 -21.799 1.00 51.06 N ATOM 300 CA GLY D 40 29.374 56.160 -21.057 1.00 48.68 C ATOM 301 C GLY D 40 27.949 56.447 -20.712 1.00 46.60 C ATOM 302 O GLY D 40 27.610 57.597 -20.421 1.00 50.37 O ATOM 303 N GLN D 41 27.067 55.473 -20.697 1.00 47.54 N ATOM 304 CA GLN D 41 25.716 55.908 -20.317 1.00 55.41 C ATOM 305 C GLN D 41 25.011 54.994 -19.378 1.00 55.70 C ATOM 306 O GLN D 41 24.196 54.209 -19.823 1.00 69.08 O ATOM 307 CB GLN D 41 24.891 56.065 -21.573 1.00 58.14 C ATOM 308 CG GLN D 41 24.888 54.863 -22.391 1.00 58.15 C ATOM 309 CD GLN D 41 23.933 55.038 -23.480 1.00 63.22 C ATOM 310 OE1 GLN D 41 23.540 54.075 -24.131 1.00 65.17 O ATOM 311 NE2 GLN D 41 23.524 56.289 -23.700 1.00 64.42 N ATOM 312 N ASN D 42 25.251 55.091 -18.091 1.00 53.45 N ATOM 313 CA ASN D 42 24.594 54.124 -17.221 1.00 58.41 C ATOM 314 C ASN D 42 23.094 54.115 -17.294 1.00 48.07 C ATOM 315 O ASN D 42 22.444 55.074 -16.939 1.00 43.19 O ATOM 316 CB ASN D 42 25.009 54.283 -15.720 1.00 67.22 C ATOM 317 CG ASN D 42 24.428 55.507 -15.098 1.00 63.39 C ATOM 318 OD1 ASN D 42 24.400 56.562 -15.727 1.00 66.65 O ATOM 319 ND2 ASN D 42 23.990 55.398 -13.864 1.00 61.18 N ATOM 320 N PRO D 43 22.541 53.010 -17.794 1.00 43.06 N ATOM 321 CA PRO D 43 21.095 52.945 -17.871 1.00 41.24 C ATOM 322 C PRO D 43 20.442 52.377 -16.603 1.00 39.75 C ATOM 323 O PRO D 43 21.001 51.518 -15.921 1.00 45.17 O ATOM 324 CB PRO D 43 20.871 52.023 -19.076 1.00 45.62 C ATOM 325 CG PRO D 43 22.000 50.951 -18.881 1.00 42.28 C ATOM 326 CD PRO D 43 23.168 51.929 -18.599 1.00 46.28 C ATOM 327 N THR D 44 19.249 52.854 -16.292 1.00 38.92 N ATOM 328 CA THR D 44 18.373 52.405 -15.192 1.00 36.95 C ATOM 329 C THR D 44 17.982 50.910 -15.430 1.00 45.32 C ATOM 330 O THR D 44 17.941 50.402 -16.569 1.00 46.05 O ATOM 331 CB THR D 44 17.104 53.260 -15.349 1.00 43.20 C ATOM 332 OG1 THR D 44 17.259 54.506 -14.648 1.00 49.29 O ATOM 333 CG2 THR D 44 15.884 52.508 -14.975 1.00 40.17 C ATOM 334 N GLU D 45 17.610 50.206 -14.377 1.00 51.51 N ATOM 335 CA GLU D 45 17.197 48.819 -14.532 1.00 54.01 C ATOM 336 C GLU D 45 15.791 48.646 -15.131 1.00 54.59 C ATOM 337 O GLU D 45 15.422 47.582 -15.632 1.00 51.41 O ATOM 338 CB GLU D 45 17.346 48.105 -13.208 1.00 57.37 C ATOM 339 CG GLU D 45 18.779 47.539 -13.066 1.00 75.39 C ATOM 340 CD GLU D 45 19.084 46.999 -11.666 1.00 86.00 C ATOM 341 OE1 GLU D 45 19.210 47.815 -10.712 1.00 86.61 O ATOM 342 OE2 GLU D 45 19.202 45.753 -11.516 1.00 91.09 O ATOM 343 N ALA D 46 14.989 49.698 -15.103 1.00 51.70 N ATOM 344 CA ALA D 46 13.683 49.603 -15.737 1.00 47.98 C ATOM 345 C ALA D 46 13.915 49.861 -17.240 1.00 50.01 C ATOM 346 O ALA D 46 13.273 49.264 -18.097 1.00 50.87 O ATOM 347 CB ALA D 46 12.779 50.622 -15.197 1.00 34.48 C ATOM 348 N GLU D 47 14.841 50.773 -17.515 1.00 47.85 N ATOM 349 CA GLU D 47 15.197 51.166 -18.842 1.00 47.21 C ATOM 350 C GLU D 47 15.694 49.961 -19.637 1.00 50.74 C ATOM 351 O GLU D 47 15.266 49.760 -20.786 1.00 47.80 O ATOM 352 CB GLU D 47 16.255 52.262 -18.751 1.00 51.91 C ATOM 353 CG GLU D 47 16.978 52.658 -20.031 1.00 52.32 C ATOM 354 CD GLU D 47 17.973 53.806 -19.780 1.00 59.90 C ATOM 355 OE1 GLU D 47 18.749 54.171 -20.716 1.00 56.70 O ATOM 356 OE2 GLU D 47 17.962 54.351 -18.632 1.00 53.90 O ATOM 357 N LEU D 48 16.583 49.165 -19.026 1.00 50.09 N ATOM 358 CA LEU D 48 17.139 47.958 -19.638 1.00 47.64 C ATOM 359 C LEU D 48 16.024 46.909 -19.850 1.00 50.58 C ATOM 360 O LEU D 48 15.820 46.381 -20.942 1.00 47.03 O ATOM 361 CB LEU D 48 18.228 47.334 -18.753 1.00 42.80 C ATOM 362 CG LEU D 48 19.609 47.945 -18.613 1.00 48.11 C ATOM 363 CD1 LEU D 48 20.441 47.200 -17.527 1.00 32.99 C ATOM 364 CD2 LEU D 48 20.254 47.966 -20.001 1.00 37.04 C ATOM 365 N GLN D 49 15.311 46.608 -18.779 1.00 52.09 N ATOM 366 CA GLN D 49 14.231 45.677 -18.861 1.00 53.60 C ATOM 367 C GLN D 49 13.346 46.052 -20.036 1.00 54.80 C ATOM 368 O GLN D 49 13.010 45.207 -20.842 1.00 57.46 O ATOM 369 CB GLN D 49 13.451 45.692 -17.568 1.00 56.39 C ATOM 370 CG GLN D 49 13.302 44.330 -16.937 1.00 69.65 C ATOM 371 CD GLN D 49 11.859 43.735 -17.084 1.00 81.88 C ATOM 372 OE1 GLN D 49 10.967 44.014 -16.264 1.00 81.30 O ATOM 373 NE2 GLN D 49 11.641 42.919 -18.135 1.00 83.38 N ATOM 374 N ASP D 50 12.980 47.317 -20.165 1.00 59.09 N ATOM 375 CA ASP D 50 12.124 47.736 -21.259 1.00 63.20 C ATOM 376 C ASP D 50 12.727 47.525 -22.639 1.00 66.56 C ATOM 377 O ASP D 50 12.023 47.149 -23.561 1.00 70.07 O ATOM 378 CB ASP D 50 11.739 49.198 -21.121 1.00 69.17 C ATOM 379 CG ASP D 50 10.559 49.537 -21.977 1.00 79.63 C ATOM 380 OD1 ASP D 50 9.484 48.923 -21.762 1.00 79.29 O ATOM 381 OD2 ASP D 50 10.694 50.407 -22.870 1.00 87.49 O ATOM 382 N MET D 51 14.019 47.787 -22.800 1.00 67.03 N ATOM 383 CA MET D 51 14.667 47.580 -24.087 1.00 65.51 C ATOM 384 C MET D 51 14.663 46.086 -24.485 1.00 69.58 C ATOM 385 O MET D 51 14.777 45.757 -25.668 1.00 71.60 O ATOM 386 CB MET D 51 16.092 48.094 -24.051 1.00 63.83 C ATOM 387 CG MET D 51 16.183 49.545 -23.689 1.00 66.61 C ATOM 388 SD MET D 51 17.887 50.074 -23.737 1.00 66.66 S ATOM 389 CE MET D 51 18.481 49.721 -22.079 1.00 72.56 C ATOM 390 N ILE D 52 14.555 45.192 -23.505 1.00 68.53 N ATOM 391 CA ILE D 52 14.489 43.762 -23.762 1.00 70.24 C ATOM 392 C ILE D 52 13.022 43.333 -23.922 1.00 74.66 C ATOM 393 O ILE D 52 12.691 42.584 -24.826 1.00 76.07 O ATOM 394 CB ILE D 52 15.121 42.936 -22.609 1.00 66.81 C ATOM 395 CG1 ILE D 52 16.608 42.862 -22.776 1.00 65.13 C ATOM 396 CG2 ILE D 52 14.545 41.548 -22.572 1.00 68.94 C ATOM 397 CD1 ILE D 52 17.197 44.188 -22.759 1.00 77.48 C ATOM 398 N ASN D 53 12.141 43.803 -23.050 1.00 80.30 N ATOM 399 CA ASN D 53 10.729 43.426 -23.138 1.00 88.93 C ATOM 400 C ASN D 53 10.097 44.009 -24.409 1.00 94.92 C ATOM 401 O ASN D 53 8.984 43.640 -24.794 1.00 98.43 O ATOM 402 CB ASN D 53 9.971 43.950 -21.918 1.00 89.86 C ATOM 403 CG ASN D 53 8.941 42.965 -21.386 1.00 92.31 C ATOM 404 OD1 ASN D 53 9.286 41.893 -20.857 1.00 92.46 O ATOM 405 ND2 ASN D 53 7.666 43.335 -21.497 1.00 93.56 N ATOM 406 N GLU D 54 10.812 44.932 -25.044 1.00 98.75 N ATOM 407 CA GLU D 54 10.348 45.586 -26.263 1.00101.57 C ATOM 408 C GLU D 54 10.576 44.671 -27.448 1.00103.37 C ATOM 409 O GLU D 54 9.716 44.528 -28.321 1.00102.83 O ATOM 410 CB GLU D 54 11.127 46.888 -26.492 1.00104.93 C ATOM 411 CG GLU D 54 10.971 47.514 -27.883 1.00105.12 C ATOM 412 CD GLU D 54 9.734 48.376 -27.999 1.00107.55 C ATOM 413 OE1 GLU D 54 8.620 47.858 -27.752 1.00110.79 O ATOM 414 OE2 GLU D 54 9.875 49.572 -28.337 1.00107.05 O ATOM 415 N VAL D 55 11.756 44.062 -27.478 1.00104.78 N ATOM 416 CA VAL D 55 12.118 43.171 -28.566 1.00108.25 C ATOM 417 C VAL D 55 11.956 41.698 -28.192 1.00111.93 C ATOM 418 O VAL D 55 10.981 41.060 -28.583 1.00113.10 O ATOM 419 CB VAL D 55 13.568 43.420 -29.030 1.00106.28 C ATOM 420 CG1 VAL D 55 14.503 43.403 -27.854 1.00108.07 C ATOM 421 CG2 VAL D 55 13.990 42.343 -29.980 1.00108.23 C ATOM 422 N ASP D 56 12.912 41.159 -27.442 1.00115.62 N ATOM 423 CA ASP D 56 12.862 39.764 -27.023 1.00118.10 C ATOM 424 C ASP D 56 11.675 39.424 -26.104 1.00119.69 C ATOM 425 O ASP D 56 11.843 39.064 -24.927 1.00117.62 O ATOM 426 CB ASP D 56 14.164 39.391 -26.332 1.00119.50 C ATOM 427 CG ASP D 56 14.339 37.911 -26.223 1.00120.65 C ATOM 428 OD1 ASP D 56 15.370 37.407 -26.725 1.00123.23 O ATOM 429 OD2 ASP D 56 13.443 37.257 -25.646 1.00120.09 O ATOM 430 N ALA D 57 10.476 39.542 -26.666 1.00121.94 N ATOM 431 CA ALA D 57 9.238 39.238 -25.962 1.00123.50 C ATOM 432 C ALA D 57 8.835 37.807 -26.358 1.00124.54 C ATOM 433 O ALA D 57 7.652 37.479 -26.448 1.00126.15 O ATOM 434 CB ALA D 57 8.143 40.247 -26.356 1.00121.84 C ATOM 435 N ASP D 58 9.837 36.963 -26.597 1.00124.50 N ATOM 436 CA ASP D 58 9.606 35.574 -26.978 1.00123.54 C ATOM 437 C ASP D 58 10.279 34.574 -26.019 1.00123.52 C ATOM 438 O ASP D 58 10.516 33.414 -26.364 1.00124.31 O ATOM 439 CB ASP D 58 10.063 35.354 -28.427 1.00123.01 C ATOM 440 CG ASP D 58 11.346 36.098 -28.761 1.00123.16 C ATOM 441 OD1 ASP D 58 12.435 35.648 -28.338 1.00122.61 O ATOM 442 OD2 ASP D 58 11.260 37.144 -29.445 1.00122.38 O ATOM 443 N GLY D 59 10.591 35.033 -24.810 1.00122.44 N ATOM 444 CA GLY D 59 11.182 34.149 -23.821 1.00120.24 C ATOM 445 C GLY D 59 12.688 34.156 -23.655 1.00118.21 C ATOM 446 O GLY D 59 13.177 34.103 -22.528 1.00119.13 O ATOM 447 N ASN D 60 13.426 34.209 -24.759 1.00115.37 N ATOM 448 CA ASN D 60 14.892 34.209 -24.715 1.00112.22 C ATOM 449 C ASN D 60 15.495 35.253 -23.720 1.00110.10 C ATOM 450 O ASN D 60 16.325 34.907 -22.862 1.00109.48 O ATOM 451 CB ASN D 60 15.429 34.436 -26.146 1.00112.15 C ATOM 452 CG ASN D 60 16.875 33.976 -26.324 1.00112.45 C ATOM 453 OD1 ASN D 60 17.493 34.235 -27.359 1.00110.93 O ATOM 454 ND2 ASN D 60 17.416 33.287 -25.318 1.00112.05 N ATOM 455 N GLY D 61 15.068 36.515 -23.829 1.00106.14 N ATOM 456 CA GLY D 61 15.580 37.564 -22.957 1.00 99.95 C ATOM 457 C GLY D 61 16.904 38.152 -23.431 1.00 95.48 C ATOM 458 O GLY D 61 17.773 38.517 -22.624 1.00 94.99 O ATOM 459 N THR D 62 17.061 38.221 -24.753 1.00 89.01 N ATOM 460 CA THR D 62 18.269 38.759 -25.373 1.00 80.59 C ATOM 461 C THR D 62 17.968 39.904 -26.379 1.00 76.40 C ATOM 462 O THR D 62 16.813 40.305 -26.627 1.00 71.50 O ATOM 463 CB THR D 62 19.071 37.667 -26.132 1.00 78.06 C ATOM 464 OG1 THR D 62 18.244 37.148 -27.172 1.00 75.61 O ATOM 465 CG2 THR D 62 19.548 36.521 -25.185 1.00 72.15 C ATOM 466 N ILE D 63 19.029 40.434 -26.961 1.00 68.94 N ATOM 467 CA ILE D 63 18.847 41.498 -27.896 1.00 65.40 C ATOM 468 C ILE D 63 19.933 41.399 -28.961 1.00 65.22 C ATOM 469 O ILE D 63 21.056 41.008 -28.636 1.00 62.47 O ATOM 470 CB ILE D 63 18.893 42.842 -27.135 1.00 67.54 C ATOM 471 CG1 ILE D 63 18.615 43.986 -28.109 1.00 67.27 C ATOM 472 CG2 ILE D 63 20.236 43.009 -26.409 1.00 65.56 C ATOM 473 CD1 ILE D 63 18.254 45.336 -27.462 1.00 63.64 C ATOM 474 N ASP D 64 19.598 41.685 -30.230 1.00 65.49 N ATOM 475 CA ASP D 64 20.593 41.642 -31.313 1.00 66.58 C ATOM 476 C ASP D 64 20.978 43.047 -31.774 1.00 65.34 C ATOM 477 O ASP D 64 20.253 44.029 -31.522 1.00 65.45 O ATOM 478 CB ASP D 64 20.113 40.829 -32.515 1.00 72.53 C ATOM 479 CG ASP D 64 18.897 41.424 -33.173 1.00 82.76 C ATOM 480 OD1 ASP D 64 18.778 42.676 -33.222 1.00 88.17 O ATOM 481 OD2 ASP D 64 18.050 40.636 -33.655 1.00 87.71 O ATOM 482 N PHE D 65 22.113 43.135 -32.461 1.00 61.88 N ATOM 483 CA PHE D 65 22.621 44.410 -32.936 1.00 64.32 C ATOM 484 C PHE D 65 21.601 45.273 -33.668 1.00 63.85 C ATOM 485 O PHE D 65 21.509 46.476 -33.434 1.00 66.16 O ATOM 486 CB PHE D 65 23.856 44.211 -33.833 1.00 64.69 C ATOM 487 CG PHE D 65 24.566 45.496 -34.156 1.00 72.01 C ATOM 488 CD1 PHE D 65 25.313 46.160 -33.189 1.00 74.19 C ATOM 489 CD2 PHE D 65 24.433 46.086 -35.401 1.00 72.70 C ATOM 490 CE1 PHE D 65 25.920 47.385 -33.467 1.00 74.86 C ATOM 491 CE2 PHE D 65 25.039 47.310 -35.684 1.00 71.95 C ATOM 492 CZ PHE D 65 25.778 47.961 -34.715 1.00 75.17 C ATOM 493 N PRO D 66 20.824 44.673 -34.581 1.00 64.89 N ATOM 494 CA PRO D 66 19.829 45.483 -35.309 1.00 63.77 C ATOM 495 C PRO D 66 18.964 46.282 -34.353 1.00 61.10 C ATOM 496 O PRO D 66 18.972 47.499 -34.412 1.00 57.70 O ATOM 497 CB PRO D 66 19.043 44.438 -36.109 1.00 61.05 C ATOM 498 CG PRO D 66 20.114 43.398 -36.394 1.00 61.03 C ATOM 499 CD PRO D 66 20.878 43.289 -35.101 1.00 62.60 C ATOM 500 N GLU D 67 18.248 45.603 -33.457 1.00 62.60 N ATOM 501 CA GLU D 67 17.393 46.319 -32.503 1.00 66.78 C ATOM 502 C GLU D 67 18.208 47.185 -31.523 1.00 62.79 C ATOM 503 O GLU D 67 17.815 48.295 -31.179 1.00 57.76 O ATOM 504 CB GLU D 67 16.515 45.342 -31.750 1.00 68.63 C ATOM 505 CG GLU D 67 17.256 44.134 -31.251 1.00 80.76 C ATOM 506 CD GLU D 67 16.458 42.861 -31.488 1.00 87.42 C ATOM 507 OE1 GLU D 67 16.719 41.823 -30.826 1.00 86.93 O ATOM 508 OE2 GLU D 67 15.561 42.898 -32.357 1.00 91.47 O ATOM 509 N PHE D 68 19.345 46.675 -31.088 1.00 58.01 N ATOM 510 CA PHE D 68 20.187 47.456 -30.217 1.00 57.70 C ATOM 511 C PHE D 68 20.416 48.855 -30.831 1.00 59.06 C ATOM 512 O PHE D 68 20.117 49.881 -30.202 1.00 55.38 O ATOM 513 CB PHE D 68 21.526 46.741 -30.045 1.00 55.34 C ATOM 514 CG PHE D 68 22.580 47.591 -29.418 1.00 55.99 C ATOM 515 CD1 PHE D 68 22.409 48.096 -28.113 1.00 58.28 C ATOM 516 CD2 PHE D 68 23.765 47.870 -30.095 1.00 56.31 C ATOM 517 CE1 PHE D 68 23.429 48.863 -27.497 1.00 55.34 C ATOM 518 CE2 PHE D 68 24.802 48.636 -29.489 1.00 54.49 C ATOM 519 CZ PHE D 68 24.632 49.133 -28.190 1.00 53.96 C ATOM 520 N LEU D 69 20.944 48.873 -32.062 1.00 60.45 N ATOM 521 CA LEU D 69 21.238 50.097 -32.799 1.00 59.86 C ATOM 522 C LEU D 69 19.961 50.910 -33.044 1.00 60.37 C ATOM 523 O LEU D 69 19.950 52.136 -33.023 1.00 62.09 O ATOM 524 CB LEU D 69 21.922 49.751 -34.111 1.00 63.46 C ATOM 525 CG LEU D 69 23.131 50.586 -34.531 1.00 66.09 C ATOM 526 CD1 LEU D 69 23.356 50.295 -35.992 1.00 66.52 C ATOM 527 CD2 LEU D 69 22.890 52.094 -34.344 1.00 68.42 C ATOM 528 N THR D 70 18.860 50.239 -33.260 1.00 62.81 N ATOM 529 CA THR D 70 17.636 50.975 -33.455 1.00 66.95 C ATOM 530 C THR D 70 17.285 51.769 -32.201 1.00 68.12 C ATOM 531 O THR D 70 16.885 52.936 -32.277 1.00 66.62 O ATOM 532 CB THR D 70 16.489 50.035 -33.719 1.00 68.41 C ATOM 533 OG1 THR D 70 16.891 49.042 -34.674 1.00 71.02 O ATOM 534 CG2 THR D 70 15.341 50.803 -34.239 1.00 63.51 C ATOM 535 N MET D 71 17.425 51.120 -31.041 1.00 71.25 N ATOM 536 CA MET D 71 17.101 51.746 -29.746 1.00 70.65 C ATOM 537 C MET D 71 18.091 52.806 -29.381 1.00 69.46 C ATOM 538 O MET D 71 17.694 53.867 -28.902 1.00 66.40 O ATOM 539 CB MET D 71 17.019 50.707 -28.631 1.00 74.12 C ATOM 540 CG MET D 71 15.578 50.267 -28.343 1.00 81.51 C ATOM 541 SD MET D 71 15.549 48.701 -27.430 1.00 89.27 S ATOM 542 CE MET D 71 16.458 47.633 -28.533 1.00 85.43 C ATOM 543 N MET D 72 19.375 52.512 -29.609 1.00 67.67 N ATOM 544 CA MET D 72 20.427 53.464 -29.343 1.00 63.84 C ATOM 545 C MET D 72 20.183 54.702 -30.148 1.00 67.71 C ATOM 546 O MET D 72 20.447 55.780 -29.672 1.00 73.23 O ATOM 547 CB MET D 72 21.771 52.897 -29.695 1.00 60.46 C ATOM 548 CG MET D 72 22.138 51.759 -28.828 1.00 66.93 C ATOM 549 SD MET D 72 22.163 52.245 -27.104 1.00 64.60 S ATOM 550 CE MET D 72 23.688 53.183 -27.148 1.00 68.34 C ATOM 551 N ALA D 73 19.709 54.560 -31.381 1.00 72.73 N ATOM 552 CA ALA D 73 19.407 55.715 -32.222 1.00 74.92 C ATOM 553 C ALA D 73 18.313 56.546 -31.540 1.00 77.03 C ATOM 554 O ALA D 73 18.421 57.769 -31.437 1.00 77.15 O ATOM 555 CB ALA D 73 18.942 55.252 -33.558 1.00 74.21 C ATOM 556 N ARG D 74 17.253 55.885 -31.080 1.00 80.95 N ATOM 557 CA ARG D 74 16.169 56.578 -30.370 1.00 89.06 C ATOM 558 C ARG D 74 16.640 57.100 -29.009 1.00 93.84 C ATOM 559 O ARG D 74 16.142 58.113 -28.524 1.00 96.31 O ATOM 560 CB ARG D 74 14.983 55.641 -30.139 1.00 89.90 C ATOM 561 CG ARG D 74 14.097 55.435 -31.361 1.00100.85 C ATOM 562 CD ARG D 74 14.915 55.031 -32.608 1.00107.84 C ATOM 563 NE ARG D 74 14.081 54.560 -33.716 1.00108.67 N ATOM 564 CZ ARG D 74 14.557 54.037 -34.844 1.00110.13 C ATOM 565 NH1 ARG D 74 15.870 53.921 -35.030 1.00108.81 N ATOM 566 NH2 ARG D 74 13.716 53.597 -35.773 1.00108.55 N ATOM 567 N LYS D 75 17.598 56.397 -28.401 1.00 96.63 N ATOM 568 CA LYS D 75 18.149 56.755 -27.100 1.00 96.35 C ATOM 569 C LYS D 75 19.131 57.932 -27.191 1.00 97.74 C ATOM 570 O LYS D 75 19.005 58.893 -26.447 1.00 96.98 O ATOM 571 CB LYS D 75 18.859 55.548 -26.506 1.00 95.35 C ATOM 572 CG LYS D 75 18.847 55.518 -25.014 1.00 95.22 C ATOM 573 CD LYS D 75 17.476 55.111 -24.511 1.00 98.09 C ATOM 574 CE LYS D 75 17.114 53.704 -24.972 1.00 99.23 C ATOM 575 NZ LYS D 75 16.350 52.953 -23.937 1.00 99.59 N ATOM 576 N MET D 76 20.106 57.838 -28.096 1.00 99.98 N ATOM 577 CA MET D 76 21.118 58.880 -28.313 1.00103.47 C ATOM 578 C MET D 76 20.527 60.265 -28.629 1.00105.61 C ATOM 579 O MET D 76 21.154 61.305 -28.394 1.00104.67 O ATOM 580 CB MET D 76 22.035 58.481 -29.466 1.00104.10 C ATOM 581 CG MET D 76 23.420 59.073 -29.378 1.00105.58 C ATOM 582 SD MET D 76 24.496 58.117 -28.278 1.00105.49 S ATOM 583 CE MET D 76 23.782 58.478 -26.659 1.00104.60 C ATOM 584 N LYS D 77 19.324 60.265 -29.188 1.00109.55 N ATOM 585 CA LYS D 77 18.634 61.501 -29.535 1.00112.19 C ATOM 586 C LYS D 77 18.209 62.258 -28.287 1.00112.70 C ATOM 587 O LYS D 77 17.722 63.380 -28.383 1.00113.02 O ATOM 588 CB LYS D 77 17.395 61.197 -30.384 1.00113.46 C ATOM 589 CG LYS D 77 17.709 60.767 -31.815 1.00115.37 C ATOM 590 CD LYS D 77 17.724 61.947 -32.801 1.00115.26 C ATOM 591 CE LYS D 77 16.317 62.311 -33.268 1.00114.10 C ATOM 592 NZ LYS D 77 16.306 63.510 -34.148 1.00112.62 N ATOM 593 N ASP D 78 18.387 61.641 -27.121 1.00113.04 N ATOM 594 CA ASP D 78 18.007 62.269 -25.860 1.00113.19 C ATOM 595 C ASP D 78 19.161 62.311 -24.849 1.00111.40 C ATOM 596 O ASP D 78 18.969 62.683 -23.687 1.00111.65 O ATOM 597 CB ASP D 78 16.801 61.534 -25.254 1.00115.20 C ATOM 598 CG ASP D 78 16.005 62.412 -24.298 1.00117.86 C ATOM 599 OD1 ASP D 78 15.527 63.485 -24.744 1.00118.48 O ATOM 600 OD2 ASP D 78 15.853 62.036 -23.111 1.00117.96 O ATOM 601 N THR D 79 20.354 61.931 -25.305 1.00109.55 N ATOM 602 CA THR D 79 21.563 61.911 -24.471 1.00105.61 C ATOM 603 C THR D 79 22.578 62.926 -24.998 1.00101.82 C ATOM 604 O THR D 79 22.641 63.199 -26.209 1.00102.24 O ATOM 605 CB THR D 79 22.240 60.510 -24.468 1.00106.85 C ATOM 606 OG1 THR D 79 21.286 59.514 -24.069 1.00109.91 O ATOM 607 CG2 THR D 79 23.418 60.483 -23.500 1.00108.43 C ATOM 608 N ASP D 80 23.374 63.476 -24.085 1.00 95.70 N ATOM 609 CA ASP D 80 24.372 64.459 -24.455 1.00 89.12 C ATOM 610 C ASP D 80 25.807 64.051 -24.087 1.00 84.01 C ATOM 611 O ASP D 80 26.084 62.944 -23.590 1.00 79.50 O ATOM 612 CB ASP D 80 24.043 65.819 -23.840 1.00 92.00 C ATOM 613 CG ASP D 80 24.571 65.948 -22.461 1.00 95.28 C ATOM 614 OD1 ASP D 80 24.174 65.113 -21.612 1.00 94.21 O ATOM 615 OD2 ASP D 80 25.393 66.874 -22.241 1.00 97.17 O ATOM 616 N SER D 81 26.728 64.970 -24.329 1.00 78.11 N ATOM 617 CA SER D 81 28.116 64.679 -24.105 1.00 71.42 C ATOM 618 C SER D 81 28.563 64.887 -22.674 1.00 67.69 C ATOM 619 O SER D 81 29.427 64.166 -22.175 1.00 69.70 O ATOM 620 CB SER D 81 28.962 65.506 -25.091 1.00 69.56 C ATOM 621 OG SER D 81 30.335 65.127 -25.102 1.00 71.18 O ATOM 622 N GLU D 82 27.962 65.830 -21.976 1.00 63.29 N ATOM 623 CA GLU D 82 28.427 66.062 -20.621 1.00 65.97 C ATOM 624 C GLU D 82 28.112 64.927 -19.656 1.00 63.30 C ATOM 625 O GLU D 82 28.840 64.716 -18.692 1.00 60.51 O ATOM 626 CB GLU D 82 27.887 67.395 -20.069 1.00 64.12 C ATOM 627 CG GLU D 82 26.591 67.349 -19.294 1.00 66.94 C ATOM 628 CD GLU D 82 26.514 68.519 -18.314 1.00 70.66 C ATOM 629 OE1 GLU D 82 27.213 69.515 -18.567 1.00 72.07 O ATOM 630 OE2 GLU D 82 25.769 68.459 -17.304 1.00 69.34 O ATOM 631 N GLU D 83 27.044 64.193 -19.950 1.00 61.64 N ATOM 632 CA GLU D 83 26.650 63.104 -19.112 1.00 59.54 C ATOM 633 C GLU D 83 27.601 61.902 -19.239 1.00 56.05 C ATOM 634 O GLU D 83 27.746 61.102 -18.321 1.00 52.58 O ATOM 635 CB GLU D 83 25.179 62.759 -19.358 1.00 65.29 C ATOM 636 CG GLU D 83 24.501 62.014 -18.153 1.00 75.15 C ATOM 637 CD GLU D 83 24.631 62.677 -16.686 1.00 70.70 C ATOM 638 OE1 GLU D 83 24.357 63.870 -16.485 1.00 61.91 O ATOM 639 OE2 GLU D 83 24.967 61.950 -15.720 1.00 68.84 O ATOM 640 N GLU D 84 28.319 61.831 -20.348 1.00 56.54 N ATOM 641 CA GLU D 84 29.304 60.778 -20.548 1.00 51.95 C ATOM 642 C GLU D 84 30.562 61.187 -19.763 1.00 49.95 C ATOM 643 O GLU D 84 31.310 60.337 -19.282 1.00 47.57 O ATOM 644 CB GLU D 84 29.694 60.658 -22.014 1.00 57.00 C ATOM 645 CG GLU D 84 28.563 60.586 -23.041 1.00 68.28 C ATOM 646 CD GLU D 84 29.137 60.359 -24.452 1.00 71.78 C ATOM 647 OE1 GLU D 84 30.163 61.014 -24.818 1.00 67.79 O ATOM 648 OE2 GLU D 84 28.563 59.523 -25.180 1.00 72.24 O ATOM 649 N ILE D 85 30.828 62.491 -19.653 1.00 47.06 N ATOM 650 CA ILE D 85 32.007 62.936 -18.922 1.00 41.20 C ATOM 651 C ILE D 85 31.782 62.709 -17.415 1.00 39.79 C ATOM 652 O ILE D 85 32.601 62.065 -16.678 1.00 38.77 O ATOM 653 CB ILE D 85 32.264 64.388 -19.238 1.00 43.42 C ATOM 654 CG1 ILE D 85 32.639 64.523 -20.723 1.00 47.68 C ATOM 655 CG2 ILE D 85 33.370 64.926 -18.361 1.00 45.24 C ATOM 656 CD1 ILE D 85 32.376 65.950 -21.335 1.00 45.82 C ATOM 657 N ARG D 86 30.627 63.182 -16.979 1.00 36.92 N ATOM 658 CA ARG D 86 30.199 63.024 -15.614 1.00 37.38 C ATOM 659 C ARG D 86 30.341 61.546 -15.191 1.00 40.06 C ATOM 660 O ARG D 86 30.943 61.289 -14.151 1.00 43.11 O ATOM 661 CB ARG D 86 28.771 63.503 -15.467 1.00 41.46 C ATOM 662 CG ARG D 86 28.318 63.416 -14.038 1.00 48.17 C ATOM 663 CD ARG D 86 27.079 64.193 -13.745 1.00 40.81 C ATOM 664 NE ARG D 86 27.276 65.636 -13.794 1.00 48.07 N ATOM 665 CZ ARG D 86 26.805 66.378 -14.786 1.00 53.69 C ATOM 666 NH1 ARG D 86 26.156 65.779 -15.781 1.00 55.20 N ATOM 667 NH2 ARG D 86 26.879 67.692 -14.747 1.00 45.39 N ATOM 668 N GLU D 87 29.839 60.593 -16.003 1.00 36.18 N ATOM 669 CA GLU D 87 29.947 59.183 -15.709 1.00 31.46 C ATOM 670 C GLU D 87 31.418 58.688 -15.691 1.00 37.19 C ATOM 671 O GLU D 87 31.785 57.817 -14.842 1.00 34.33 O ATOM 672 CB GLU D 87 29.139 58.361 -16.679 1.00 33.13 C ATOM 673 CG GLU D 87 27.594 58.381 -16.462 1.00 37.31 C ATOM 674 CD GLU D 87 27.163 58.120 -15.021 1.00 39.40 C ATOM 675 OE1 GLU D 87 27.882 57.373 -14.356 1.00 45.58 O ATOM 676 OE2 GLU D 87 26.108 58.631 -14.532 1.00 43.25 O ATOM 677 N ALA D 88 32.268 59.194 -16.598 1.00 32.18 N ATOM 678 CA ALA D 88 33.667 58.795 -16.520 1.00 30.68 C ATOM 679 C ALA D 88 34.224 59.303 -15.193 1.00 33.03 C ATOM 680 O ALA D 88 34.830 58.532 -14.483 1.00 32.00 O ATOM 681 CB ALA D 88 34.518 59.351 -17.713 1.00 25.65 C ATOM 682 N PHE D 89 34.036 60.571 -14.820 1.00 30.56 N ATOM 683 CA PHE D 89 34.590 60.972 -13.489 1.00 32.79 C ATOM 684 C PHE D 89 33.958 60.156 -12.296 1.00 35.81 C ATOM 685 O PHE D 89 34.676 59.759 -11.385 1.00 35.98 O ATOM 686 CB PHE D 89 34.379 62.518 -13.186 1.00 32.02 C ATOM 687 CG PHE D 89 35.294 63.400 -13.973 1.00 30.40 C ATOM 688 CD1 PHE D 89 34.808 64.134 -15.032 1.00 35.23 C ATOM 689 CD2 PHE D 89 36.698 63.314 -13.813 1.00 28.72 C ATOM 690 CE1 PHE D 89 35.682 64.753 -15.926 1.00 37.27 C ATOM 691 CE2 PHE D 89 37.560 63.934 -14.708 1.00 39.49 C ATOM 692 CZ PHE D 89 37.048 64.655 -15.777 1.00 32.59 C ATOM 693 N ARG D 90 32.624 59.945 -12.301 1.00 32.64 N ATOM 694 CA ARG D 90 31.944 59.217 -11.233 1.00 29.59 C ATOM 695 C ARG D 90 32.689 57.880 -11.036 1.00 34.65 C ATOM 696 O ARG D 90 32.628 57.262 -9.964 1.00 35.04 O ATOM 697 CB ARG D 90 30.523 58.904 -11.646 1.00 30.20 C ATOM 698 CG ARG D 90 29.417 59.574 -10.908 1.00 36.75 C ATOM 699 CD ARG D 90 28.855 60.840 -11.542 1.00 43.20 C ATOM 700 NE ARG D 90 27.458 60.597 -11.917 1.00 49.76 N ATOM 701 CZ ARG D 90 26.412 61.391 -11.693 1.00 45.18 C ATOM 702 NH1 ARG D 90 26.501 62.557 -11.057 1.00 38.56 N ATOM 703 NH2 ARG D 90 25.257 61.016 -12.182 1.00 46.12 N ATOM 704 N VAL D 91 33.378 57.402 -12.076 1.00 30.98 N ATOM 705 CA VAL D 91 34.062 56.175 -11.870 1.00 26.96 C ATOM 706 C VAL D 91 35.085 56.342 -10.763 1.00 34.28 C ATOM 707 O VAL D 91 35.348 55.388 -10.014 1.00 30.55 O ATOM 708 CB VAL D 91 34.748 55.618 -13.104 1.00 39.02 C ATOM 709 CG1 VAL D 91 35.594 54.396 -12.663 1.00 30.79 C ATOM 710 CG2 VAL D 91 33.657 55.173 -14.180 1.00 35.86 C ATOM 711 N PHE D 92 35.622 57.559 -10.613 1.00 31.21 N ATOM 712 CA PHE D 92 36.571 57.793 -9.578 1.00 28.59 C ATOM 713 C PHE D 92 36.055 58.001 -8.116 1.00 32.79 C ATOM 714 O PHE D 92 36.735 57.698 -7.166 1.00 36.15 O ATOM 715 CB PHE D 92 37.429 58.876 -10.036 1.00 34.87 C ATOM 716 CG PHE D 92 38.350 58.468 -11.141 1.00 30.58 C ATOM 717 CD1 PHE D 92 38.062 58.802 -12.461 1.00 30.50 C ATOM 718 CD2 PHE D 92 39.584 57.995 -10.838 1.00 30.18 C ATOM 719 CE1 PHE D 92 39.004 58.700 -13.488 1.00 32.82 C ATOM 720 CE2 PHE D 92 40.565 57.869 -11.835 1.00 39.40 C ATOM 721 CZ PHE D 92 40.267 58.243 -13.159 1.00 40.63 C ATOM 722 N ASP D 93 34.825 58.428 -7.957 1.00 36.94 N ATOM 723 CA ASP D 93 34.182 58.668 -6.685 1.00 39.23 C ATOM 724 C ASP D 93 33.731 57.323 -6.151 1.00 45.81 C ATOM 725 O ASP D 93 32.595 56.917 -6.410 1.00 46.77 O ATOM 726 CB ASP D 93 32.940 59.577 -6.925 1.00 35.88 C ATOM 727 CG ASP D 93 32.245 60.023 -5.630 1.00 38.42 C ATOM 728 OD1 ASP D 93 31.226 60.788 -5.762 1.00 34.60 O ATOM 729 OD2 ASP D 93 32.707 59.660 -4.509 1.00 34.92 O ATOM 730 N LYS D 94 34.603 56.648 -5.393 1.00 49.54 N ATOM 731 CA LYS D 94 34.307 55.333 -4.838 1.00 45.43 C ATOM 732 C LYS D 94 33.150 55.266 -3.881 1.00 48.17 C ATOM 733 O LYS D 94 32.430 54.277 -3.890 1.00 51.62 O ATOM 734 CB LYS D 94 35.521 54.749 -4.140 1.00 49.30 C ATOM 735 CG LYS D 94 36.679 54.380 -5.065 1.00 59.58 C ATOM 736 CD LYS D 94 37.534 55.599 -5.419 1.00 67.14 C ATOM 737 CE LYS D 94 38.727 55.246 -6.301 1.00 66.75 C ATOM 738 NZ LYS D 94 39.645 54.348 -5.577 1.00 67.03 N ATOM 739 N ASP D 95 32.960 56.291 -3.058 1.00 46.13 N ATOM 740 CA ASP D 95 31.887 56.329 -2.069 1.00 41.98 C ATOM 741 C ASP D 95 30.720 57.254 -2.500 1.00 42.18 C ATOM 742 O ASP D 95 29.773 57.466 -1.759 1.00 43.39 O ATOM 743 CB ASP D 95 32.488 56.802 -0.734 1.00 44.01 C ATOM 744 CG ASP D 95 33.154 58.221 -0.832 1.00 50.47 C ATOM 745 OD1 ASP D 95 33.350 58.857 0.241 1.00 51.87 O ATOM 746 OD2 ASP D 95 33.476 58.700 -1.956 1.00 43.62 O ATOM 747 N GLY D 96 30.766 57.814 -3.696 1.00 40.38 N ATOM 748 CA GLY D 96 29.660 58.657 -4.089 1.00 35.47 C ATOM 749 C GLY D 96 29.395 59.921 -3.289 1.00 41.57 C ATOM 750 O GLY D 96 28.244 60.313 -3.065 1.00 45.72 O ATOM 751 N ASN D 97 30.455 60.587 -2.867 1.00 45.47 N ATOM 752 CA ASN D 97 30.369 61.838 -2.108 1.00 43.31 C ATOM 753 C ASN D 97 30.567 63.067 -2.995 1.00 38.35 C ATOM 754 O ASN D 97 30.392 64.183 -2.576 1.00 42.36 O ATOM 755 CB ASN D 97 31.417 61.779 -1.005 1.00 42.09 C ATOM 756 CG ASN D 97 32.841 61.908 -1.519 1.00 55.42 C ATOM 757 OD1 ASN D 97 33.251 61.431 -2.622 1.00 50.99 O ATOM 758 ND2 ASN D 97 33.640 62.526 -0.678 1.00 60.54 N ATOM 759 N GLY D 98 30.952 62.832 -4.231 1.00 37.92 N ATOM 760 CA GLY D 98 31.115 63.900 -5.189 1.00 34.60 C ATOM 761 C GLY D 98 32.546 64.320 -5.362 1.00 32.89 C ATOM 762 O GLY D 98 32.844 65.223 -6.144 1.00 36.20 O ATOM 763 N TYR D 99 33.440 63.641 -4.656 1.00 31.65 N ATOM 764 CA TYR D 99 34.855 63.987 -4.659 1.00 31.52 C ATOM 765 C TYR D 99 35.661 62.796 -5.100 1.00 35.30 C ATOM 766 O TYR D 99 35.279 61.647 -4.832 1.00 35.27 O ATOM 767 CB TYR D 99 35.321 64.418 -3.211 1.00 30.42 C ATOM 768 CG TYR D 99 34.916 65.831 -2.783 1.00 37.92 C ATOM 769 CD1 TYR D 99 35.760 66.965 -3.020 1.00 33.65 C ATOM 770 CD2 TYR D 99 33.633 66.070 -2.257 1.00 36.37 C ATOM 771 CE1 TYR D 99 35.296 68.291 -2.736 1.00 34.59 C ATOM 772 CE2 TYR D 99 33.177 67.355 -1.994 1.00 38.76 C ATOM 773 CZ TYR D 99 33.993 68.465 -2.218 1.00 44.68 C ATOM 774 OH TYR D 99 33.464 69.720 -1.867 1.00 45.00 O ATOM 775 N ILE D 100 36.801 63.090 -5.715 1.00 26.31 N ATOM 776 CA ILE D 100 37.676 62.047 -6.213 1.00 33.49 C ATOM 777 C ILE D 100 39.082 62.477 -5.913 1.00 32.03 C ATOM 778 O ILE D 100 39.295 63.635 -5.559 1.00 31.40 O ATOM 779 CB ILE D 100 37.502 61.864 -7.803 1.00 37.37 C ATOM 780 CG1 ILE D 100 38.521 62.682 -8.576 1.00 25.80 C ATOM 781 CG2 ILE D 100 36.106 62.394 -8.223 1.00 34.90 C ATOM 782 CD1 ILE D 100 38.142 62.742 -10.123 1.00 31.06 C ATOM 783 N SER D 101 40.017 61.543 -6.047 1.00 27.25 N ATOM 784 CA SER D 101 41.430 61.798 -5.797 1.00 29.29 C ATOM 785 C SER D 101 42.104 62.322 -7.066 1.00 31.83 C ATOM 786 O SER D 101 42.096 61.666 -8.124 1.00 39.24 O ATOM 787 CB SER D 101 42.144 60.489 -5.288 1.00 27.57 C ATOM 788 OG SER D 101 43.547 60.378 -5.682 1.00 27.26 O ATOM 789 N ALA D 102 42.584 63.553 -7.001 1.00 37.59 N ATOM 790 CA ALA D 102 43.324 64.151 -8.147 1.00 39.07 C ATOM 791 C ALA D 102 44.502 63.208 -8.470 1.00 36.98 C ATOM 792 O ALA D 102 44.724 62.930 -9.602 1.00 37.56 O ATOM 793 CB ALA D 102 43.875 65.508 -7.734 1.00 37.35 C ATOM 794 N ALA D 103 45.254 62.751 -7.454 1.00 36.14 N ATOM 795 CA ALA D 103 46.377 61.834 -7.648 1.00 32.60 C ATOM 796 C ALA D 103 45.942 60.584 -8.455 1.00 37.22 C ATOM 797 O ALA D 103 46.591 60.178 -9.429 1.00 38.83 O ATOM 798 CB ALA D 103 46.912 61.383 -6.294 1.00 35.57 C ATOM 799 N GLU D 104 44.841 59.971 -8.042 1.00 31.79 N ATOM 800 CA GLU D 104 44.390 58.828 -8.739 1.00 39.51 C ATOM 801 C GLU D 104 44.048 59.170 -10.205 1.00 43.68 C ATOM 802 O GLU D 104 44.435 58.410 -11.105 1.00 42.42 O ATOM 803 CB GLU D 104 43.153 58.222 -8.054 1.00 44.87 C ATOM 804 CG GLU D 104 43.457 57.230 -6.929 1.00 43.91 C ATOM 805 CD GLU D 104 42.208 56.741 -6.150 1.00 47.57 C ATOM 806 OE1 GLU D 104 42.377 55.867 -5.269 1.00 53.87 O ATOM 807 OE2 GLU D 104 41.073 57.230 -6.387 1.00 39.46 O ATOM 808 N LEU D 105 43.340 60.309 -10.421 1.00 43.42 N ATOM 809 CA LEU D 105 42.898 60.767 -11.753 1.00 41.43 C ATOM 810 C LEU D 105 44.117 60.929 -12.629 1.00 43.67 C ATOM 811 O LEU D 105 44.202 60.355 -13.707 1.00 50.14 O ATOM 812 CB LEU D 105 42.106 62.071 -11.685 1.00 34.61 C ATOM 813 CG LEU D 105 41.879 62.781 -13.037 1.00 35.08 C ATOM 814 CD1 LEU D 105 40.925 62.042 -13.919 1.00 30.47 C ATOM 815 CD2 LEU D 105 41.329 64.137 -12.814 1.00 20.44 C ATOM 816 N ARG D 106 45.097 61.672 -12.172 1.00 45.33 N ATOM 817 CA ARG D 106 46.306 61.801 -12.962 1.00 47.59 C ATOM 818 C ARG D 106 46.941 60.467 -13.339 1.00 47.61 C ATOM 819 O ARG D 106 47.295 60.277 -14.494 1.00 51.69 O ATOM 820 CB ARG D 106 47.370 62.588 -12.225 1.00 41.72 C ATOM 821 CG ARG D 106 48.528 62.867 -13.123 1.00 49.53 C ATOM 822 CD ARG D 106 49.660 63.478 -12.371 1.00 45.99 C ATOM 823 NE ARG D 106 50.856 62.740 -12.685 1.00 52.05 N ATOM 824 CZ ARG D 106 51.740 63.173 -13.557 1.00 57.07 C ATOM 825 NH1 ARG D 106 51.508 64.330 -14.162 1.00 58.98 N ATOM 826 NH2 ARG D 106 52.848 62.477 -13.795 1.00 54.31 N ATOM 827 N HIS D 107 47.093 59.564 -12.370 1.00 47.62 N ATOM 828 CA HIS D 107 47.770 58.277 -12.587 1.00 45.35 C ATOM 829 C HIS D 107 47.113 57.390 -13.631 1.00 48.17 C ATOM 830 O HIS D 107 47.789 56.884 -14.544 1.00 47.61 O ATOM 831 CB HIS D 107 47.906 57.528 -11.236 1.00 47.74 C ATOM 832 CG HIS D 107 48.602 56.195 -11.324 1.00 49.59 C ATOM 833 ND1 HIS D 107 49.881 56.046 -11.833 1.00 48.59 N ATOM 834 CD2 HIS D 107 48.188 54.946 -11.006 1.00 46.99 C ATOM 835 CE1 HIS D 107 50.217 54.777 -11.835 1.00 38.14 C ATOM 836 NE2 HIS D 107 49.207 54.080 -11.339 1.00 48.99 N ATOM 837 N VAL D 108 45.800 57.202 -13.541 1.00 44.38 N ATOM 838 CA VAL D 108 45.239 56.340 -14.545 1.00 46.27 C ATOM 839 C VAL D 108 45.054 56.980 -15.898 1.00 48.69 C ATOM 840 O VAL D 108 44.952 56.245 -16.870 1.00 53.96 O ATOM 841 CB VAL D 108 43.921 55.695 -14.105 1.00 44.11 C ATOM 842 CG1 VAL D 108 43.651 56.023 -12.681 1.00 41.74 C ATOM 843 CG2 VAL D 108 42.805 56.102 -15.032 1.00 31.60 C ATOM 844 N MET D 109 44.994 58.312 -15.966 1.00 46.88 N ATOM 845 CA MET D 109 44.818 59.009 -17.247 1.00 46.68 C ATOM 846 C MET D 109 46.196 59.203 -17.942 1.00 50.84 C ATOM 847 O MET D 109 46.333 58.934 -19.126 1.00 53.06 O ATOM 848 CB MET D 109 44.149 60.396 -17.077 1.00 47.35 C ATOM 849 CG MET D 109 42.658 60.452 -16.619 1.00 48.09 C ATOM 850 SD MET D 109 41.755 59.011 -17.213 1.00 53.77 S ATOM 851 CE MET D 109 41.178 59.641 -18.695 1.00 58.54 C ATOM 852 N THR D 110 47.227 59.651 -17.240 1.00 50.17 N ATOM 853 CA THR D 110 48.487 59.838 -17.941 1.00 51.44 C ATOM 854 C THR D 110 49.394 58.637 -17.935 1.00 53.95 C ATOM 855 O THR D 110 49.934 58.301 -18.973 1.00 60.70 O ATOM 856 CB THR D 110 49.278 61.017 -17.411 1.00 48.77 C ATOM 857 OG1 THR D 110 50.065 60.613 -16.283 1.00 53.19 O ATOM 858 CG2 THR D 110 48.331 62.076 -17.013 1.00 47.45 C ATOM 859 N ASN D 111 49.578 57.991 -16.788 1.00 50.47 N ATOM 860 CA ASN D 111 50.432 56.822 -16.730 1.00 53.82 C ATOM 861 C ASN D 111 49.795 55.581 -17.398 1.00 55.93 C ATOM 862 O ASN D 111 50.222 55.140 -18.462 1.00 57.37 O ATOM 863 CB ASN D 111 50.777 56.486 -15.284 1.00 59.33 C ATOM 864 CG ASN D 111 51.453 57.646 -14.553 1.00 73.78 C ATOM 865 OD1 ASN D 111 51.291 57.819 -13.329 1.00 74.99 O ATOM 866 ND2 ASN D 111 52.229 58.449 -15.295 1.00 78.88 N ATOM 867 N LEU D 112 48.789 54.997 -16.765 1.00 55.67 N ATOM 868 CA LEU D 112 48.139 53.827 -17.317 1.00 55.07 C ATOM 869 C LEU D 112 47.575 54.103 -18.716 1.00 60.65 C ATOM 870 O LEU D 112 47.592 53.219 -19.552 1.00 58.62 O ATOM 871 CB LEU D 112 47.011 53.409 -16.398 1.00 51.41 C ATOM 872 CG LEU D 112 46.171 52.138 -16.569 1.00 45.18 C ATOM 873 CD1 LEU D 112 45.133 52.404 -17.561 1.00 49.04 C ATOM 874 CD2 LEU D 112 47.014 50.962 -16.937 1.00 33.00 C ATOM 875 N GLY D 113 47.078 55.320 -18.956 1.00 61.34 N ATOM 876 CA GLY D 113 46.498 55.642 -20.242 1.00 63.52 C ATOM 877 C GLY D 113 47.505 55.880 -21.352 1.00 68.70 C ATOM 878 O GLY D 113 47.168 56.099 -22.516 1.00 71.46 O ATOM 879 N GLU D 114 48.770 55.827 -20.999 1.00 73.76 N ATOM 880 CA GLU D 114 49.811 56.046 -21.964 1.00 75.03 C ATOM 881 C GLU D 114 50.492 54.714 -22.273 1.00 74.29 C ATOM 882 O GLU D 114 51.273 54.616 -23.219 1.00 79.61 O ATOM 883 CB GLU D 114 50.832 57.033 -21.398 1.00 79.80 C ATOM 884 CG GLU D 114 51.982 57.378 -22.332 1.00 88.70 C ATOM 885 CD GLU D 114 53.334 57.197 -21.686 1.00 93.92 C ATOM 886 OE1 GLU D 114 53.717 56.021 -21.454 1.00 95.22 O ATOM 887 OE2 GLU D 114 54.006 58.230 -21.412 1.00 94.36 O ATOM 888 N LYS D 115 50.203 53.695 -21.477 1.00 69.23 N ATOM 889 CA LYS D 115 50.807 52.389 -21.669 1.00 66.20 C ATOM 890 C LYS D 115 49.934 51.450 -22.502 1.00 65.03 C ATOM 891 O LYS D 115 50.220 50.253 -22.623 1.00 62.90 O ATOM 892 CB LYS D 115 51.102 51.745 -20.316 1.00 66.12 C ATOM 893 CG LYS D 115 52.147 52.455 -19.513 1.00 67.81 C ATOM 894 CD LYS D 115 52.394 51.721 -18.209 1.00 67.74 C ATOM 895 CE LYS D 115 53.542 52.343 -17.417 1.00 69.88 C ATOM 896 NZ LYS D 115 53.945 51.486 -16.242 1.00 73.58 N ATOM 897 N LEU D 116 48.858 51.981 -23.058 1.00 65.03 N ATOM 898 CA LEU D 116 48.003 51.156 -23.880 1.00 70.86 C ATOM 899 C LEU D 116 47.019 51.972 -24.764 1.00 74.26 C ATOM 900 O LEU D 116 46.749 53.160 -24.502 1.00 74.79 O ATOM 901 CB LEU D 116 47.299 50.110 -23.000 1.00 71.44 C ATOM 902 CG LEU D 116 46.197 50.538 -22.071 1.00 70.36 C ATOM 903 CD1 LEU D 116 46.199 49.667 -20.849 1.00 64.16 C ATOM 904 CD2 LEU D 116 46.416 51.968 -21.726 1.00 73.02 C ATOM 905 N THR D 117 46.547 51.346 -25.847 1.00 74.77 N ATOM 906 CA THR D 117 45.641 52.001 -26.787 1.00 73.04 C ATOM 907 C THR D 117 44.219 51.447 -26.749 1.00 71.84 C ATOM 908 O THR D 117 43.917 50.507 -26.006 1.00 69.83 O ATOM 909 CB THR D 117 46.147 51.876 -28.206 1.00 74.19 C ATOM 910 OG1 THR D 117 46.237 50.487 -28.543 1.00 77.59 O ATOM 911 CG2 THR D 117 47.519 52.519 -28.331 1.00 72.96 C ATOM 912 N ASP D 118 43.347 52.049 -27.554 1.00 68.21 N ATOM 913 CA ASP D 118 41.968 51.642 -27.569 1.00 67.24 C ATOM 914 C ASP D 118 41.811 50.175 -27.902 1.00 67.91 C ATOM 915 O ASP D 118 41.018 49.484 -27.274 1.00 67.31 O ATOM 916 CB ASP D 118 41.152 52.486 -28.549 1.00 69.38 C ATOM 917 CG ASP D 118 41.154 53.963 -28.190 1.00 73.24 C ATOM 918 OD1 ASP D 118 40.286 54.740 -28.687 1.00 74.88 O ATOM 919 OD2 ASP D 118 42.028 54.360 -27.402 1.00 69.96 O ATOM 920 N GLU D 119 42.569 49.690 -28.875 1.00 65.93 N ATOM 921 CA GLU D 119 42.438 48.305 -29.249 1.00 69.91 C ATOM 922 C GLU D 119 42.997 47.346 -28.196 1.00 68.12 C ATOM 923 O GLU D 119 42.529 46.209 -28.033 1.00 65.77 O ATOM 924 CB GLU D 119 43.085 48.044 -30.611 1.00 75.92 C ATOM 925 CG GLU D 119 42.975 46.543 -31.040 1.00 85.04 C ATOM 926 CD GLU D 119 41.520 45.928 -31.056 1.00 88.26 C ATOM 927 OE1 GLU D 119 41.387 44.673 -30.949 1.00 85.95 O ATOM 928 OE2 GLU D 119 40.509 46.675 -31.199 1.00 89.33 O ATOM 929 N GLU D 120 43.996 47.817 -27.469 1.00 68.19 N ATOM 930 CA GLU D 120 44.618 47.019 -26.411 1.00 67.09 C ATOM 931 C GLU D 120 43.594 46.799 -25.284 1.00 63.77 C ATOM 932 O GLU D 120 43.462 45.697 -24.733 1.00 63.15 O ATOM 933 CB GLU D 120 45.857 47.749 -25.868 1.00 68.94 C ATOM 934 CG GLU D 120 46.949 48.000 -26.902 1.00 74.16 C ATOM 935 CD GLU D 120 48.195 48.635 -26.311 1.00 80.33 C ATOM 936 OE1 GLU D 120 48.937 47.944 -25.562 1.00 77.89 O ATOM 937 OE2 GLU D 120 48.430 49.835 -26.598 1.00 80.93 O ATOM 938 N VAL D 121 42.869 47.862 -24.956 1.00 59.56 N ATOM 939 CA VAL D 121 41.873 47.802 -23.913 1.00 54.92 C ATOM 940 C VAL D 121 40.836 46.769 -24.376 1.00 56.23 C ATOM 941 O VAL D 121 40.445 45.895 -23.607 1.00 56.98 O ATOM 942 CB VAL D 121 41.209 49.223 -23.660 1.00 51.36 C ATOM 943 CG1 VAL D 121 40.085 49.104 -22.613 1.00 38.94 C ATOM 944 CG2 VAL D 121 42.293 50.268 -23.236 1.00 37.89 C ATOM 945 N ASP D 122 40.433 46.849 -25.645 1.00 60.03 N ATOM 946 CA ASP D 122 39.454 45.930 -26.244 1.00 61.18 C ATOM 947 C ASP D 122 39.993 44.512 -26.328 1.00 59.70 C ATOM 948 O ASP D 122 39.290 43.524 -26.037 1.00 54.55 O ATOM 949 CB ASP D 122 39.067 46.423 -27.624 1.00 66.79 C ATOM 950 CG ASP D 122 37.954 47.469 -27.575 1.00 77.53 C ATOM 951 OD1 ASP D 122 37.570 47.912 -26.466 1.00 76.04 O ATOM 952 OD2 ASP D 122 37.459 47.847 -28.662 1.00 83.84 O ATOM 953 N GLU D 123 41.260 44.423 -26.702 1.00 61.91 N ATOM 954 CA GLU D 123 41.944 43.146 -26.808 1.00 66.64 C ATOM 955 C GLU D 123 42.027 42.492 -25.456 1.00 64.38 C ATOM 956 O GLU D 123 41.720 41.317 -25.313 1.00 63.77 O ATOM 957 CB GLU D 123 43.352 43.341 -27.342 1.00 72.46 C ATOM 958 CG GLU D 123 43.947 42.070 -27.943 1.00 85.94 C ATOM 959 CD GLU D 123 43.344 41.684 -29.317 1.00 93.94 C ATOM 960 OE1 GLU D 123 43.973 40.849 -30.023 1.00 92.89 O ATOM 961 OE2 GLU D 123 42.253 42.203 -29.688 1.00 97.33 O ATOM 962 N MET D 124 42.461 43.261 -24.462 1.00 64.67 N ATOM 963 CA MET D 124 42.591 42.742 -23.107 1.00 61.62 C ATOM 964 C MET D 124 41.248 42.353 -22.502 1.00 60.96 C ATOM 965 O MET D 124 41.164 41.370 -21.766 1.00 59.26 O ATOM 966 CB MET D 124 43.245 43.773 -22.226 1.00 65.07 C ATOM 967 CG MET D 124 44.600 44.218 -22.681 1.00 60.48 C ATOM 968 SD MET D 124 44.987 45.611 -21.612 1.00 68.74 S ATOM 969 CE MET D 124 45.201 44.769 -19.951 1.00 56.26 C ATOM 970 N ILE D 125 40.200 43.117 -22.810 1.00 58.11 N ATOM 971 CA ILE D 125 38.885 42.820 -22.269 1.00 55.63 C ATOM 972 C ILE D 125 38.397 41.521 -22.857 1.00 60.13 C ATOM 973 O ILE D 125 37.697 40.763 -22.192 1.00 62.10 O ATOM 974 CB ILE D 125 37.862 43.976 -22.580 1.00 54.03 C ATOM 975 CG1 ILE D 125 38.213 45.213 -21.763 1.00 49.57 C ATOM 976 CG2 ILE D 125 36.425 43.560 -22.253 1.00 47.24 C ATOM 977 CD1 ILE D 125 37.383 46.421 -22.088 1.00 53.72 C ATOM 978 N ARG D 126 38.778 41.245 -24.103 1.00 63.33 N ATOM 979 CA ARG D 126 38.326 40.012 -24.765 1.00 66.60 C ATOM 980 C ARG D 126 39.007 38.777 -24.179 1.00 66.79 C ATOM 981 O ARG D 126 38.364 37.766 -23.913 1.00 68.16 O ATOM 982 CB ARG D 126 38.624 40.057 -26.271 1.00 70.19 C ATOM 983 CG ARG D 126 37.900 41.114 -27.098 1.00 73.76 C ATOM 984 CD ARG D 126 38.448 41.121 -28.557 1.00 77.53 C ATOM 985 NE ARG D 126 38.413 42.461 -29.144 1.00 79.29 N ATOM 986 CZ ARG D 126 37.332 43.009 -29.694 1.00 83.00 C ATOM 987 NH1 ARG D 126 36.187 42.311 -29.761 1.00 77.09 N ATOM 988 NH2 ARG D 126 37.374 44.287 -30.100 1.00 81.14 N ATOM 989 N GLU D 127 40.314 38.868 -23.986 1.00 65.01 N ATOM 990 CA GLU D 127 41.059 37.756 -23.458 1.00 66.99 C ATOM 991 C GLU D 127 40.809 37.504 -21.978 1.00 66.74 C ATOM 992 O GLU D 127 41.143 36.454 -21.458 1.00 69.67 O ATOM 993 CB GLU D 127 42.546 37.996 -23.678 1.00 69.23 C ATOM 994 CG GLU D 127 43.411 36.803 -23.316 1.00 78.13 C ATOM 995 CD GLU D 127 44.904 37.133 -23.253 1.00 85.71 C ATOM 996 OE1 GLU D 127 45.491 37.544 -24.289 1.00 87.08 O ATOM 997 OE2 GLU D 127 45.491 36.968 -22.155 1.00 87.99 O ATOM 998 N ALA D 128 40.212 38.461 -21.295 1.00 65.99 N ATOM 999 CA ALA D 128 40.005 38.314 -19.883 1.00 63.62 C ATOM 1000 C ALA D 128 38.689 37.659 -19.533 1.00 66.22 C ATOM 1001 O ALA D 128 37.667 37.798 -20.225 1.00 64.25 O ATOM 1002 CB ALA D 128 40.127 39.690 -19.194 1.00 63.82 C ATOM 1003 N ASP D 129 38.724 36.896 -18.455 1.00 68.96 N ATOM 1004 CA ASP D 129 37.522 36.253 -17.985 1.00 71.34 C ATOM 1005 C ASP D 129 36.667 37.348 -17.362 1.00 70.04 C ATOM 1006 O ASP D 129 37.045 37.976 -16.374 1.00 72.15 O ATOM 1007 CB ASP D 129 37.855 35.188 -16.941 1.00 75.17 C ATOM 1008 CG ASP D 129 38.425 33.938 -17.556 1.00 80.73 C ATOM 1009 OD1 ASP D 129 39.171 34.062 -18.562 1.00 82.88 O ATOM 1010 OD2 ASP D 129 38.144 32.830 -17.033 1.00 82.55 O ATOM 1011 N ILE D 130 35.509 37.582 -17.939 1.00 67.39 N ATOM 1012 CA ILE D 130 34.639 38.588 -17.403 1.00 67.09 C ATOM 1013 C ILE D 130 33.282 37.973 -17.142 1.00 63.77 C ATOM 1014 O ILE D 130 32.680 37.549 -18.090 1.00 67.96 O ATOM 1015 CB ILE D 130 34.549 39.780 -18.406 1.00 68.99 C ATOM 1016 CG1 ILE D 130 33.324 40.659 -18.103 1.00 72.73 C ATOM 1017 CG2 ILE D 130 34.575 39.261 -19.827 1.00 72.15 C ATOM 1018 CD1 ILE D 130 32.060 40.338 -18.878 1.00 79.86 C ATOM 1019 N ASP D 131 32.805 37.909 -15.888 1.00 61.77 N ATOM 1020 CA ASP D 131 31.473 37.352 -15.599 1.00 64.18 C ATOM 1021 C ASP D 131 30.308 38.161 -16.180 1.00 65.12 C ATOM 1022 O ASP D 131 30.496 39.134 -16.923 1.00 60.77 O ATOM 1023 CB ASP D 131 31.228 37.167 -14.085 1.00 68.50 C ATOM 1024 CG ASP D 131 31.210 38.475 -13.317 1.00 73.86 C ATOM 1025 OD1 ASP D 131 30.753 39.509 -13.863 1.00 75.31 O ATOM 1026 OD2 ASP D 131 31.640 38.463 -12.144 1.00 70.72 O ATOM 1027 N GLY D 132 29.093 37.760 -15.802 1.00 69.60 N ATOM 1028 CA GLY D 132 27.871 38.385 -16.315 1.00 73.54 C ATOM 1029 C GLY D 132 27.673 39.849 -16.029 1.00 74.02 C ATOM 1030 O GLY D 132 26.993 40.550 -16.791 1.00 78.28 O ATOM 1031 N ASP D 133 28.287 40.302 -14.940 1.00 72.05 N ATOM 1032 CA ASP D 133 28.203 41.687 -14.483 1.00 68.35 C ATOM 1033 C ASP D 133 29.280 42.581 -15.082 1.00 65.03 C ATOM 1034 O ASP D 133 29.469 43.732 -14.675 1.00 71.06 O ATOM 1035 CB ASP D 133 28.298 41.707 -12.942 1.00 71.63 C ATOM 1036 CG ASP D 133 27.064 41.081 -12.252 1.00 77.14 C ATOM 1037 OD1 ASP D 133 26.566 40.021 -12.699 1.00 82.67 O ATOM 1038 OD2 ASP D 133 26.597 41.633 -11.242 1.00 81.63 O ATOM 1039 N GLY D 134 30.008 42.077 -16.053 1.00 61.93 N ATOM 1040 CA GLY D 134 31.046 42.913 -16.615 1.00 60.57 C ATOM 1041 C GLY D 134 32.230 43.047 -15.681 1.00 58.24 C ATOM 1042 O GLY D 134 33.162 43.794 -15.963 1.00 61.47 O ATOM 1043 N GLN D 135 32.222 42.284 -14.594 1.00 56.67 N ATOM 1044 CA GLN D 135 33.277 42.334 -13.582 1.00 54.49 C ATOM 1045 C GLN D 135 34.453 41.483 -13.979 1.00 51.19 C ATOM 1046 O GLN D 135 34.285 40.358 -14.460 1.00 49.72 O ATOM 1047 CB GLN D 135 32.709 41.855 -12.239 1.00 55.85 C ATOM 1048 CG GLN D 135 32.999 42.753 -11.038 1.00 55.57 C ATOM 1049 CD GLN D 135 32.616 44.209 -11.240 1.00 49.48 C ATOM 1050 OE1 GLN D 135 31.613 44.524 -11.874 1.00 62.64 O ATOM 1051 NE2 GLN D 135 33.402 45.094 -10.690 1.00 48.14 N ATOM 1052 N VAL D 136 35.650 42.019 -13.795 1.00 46.62 N ATOM 1053 CA VAL D 136 36.842 41.271 -14.165 1.00 44.00 C ATOM 1054 C VAL D 136 37.922 41.365 -13.085 1.00 47.92 C ATOM 1055 O VAL D 136 38.130 42.457 -12.518 1.00 49.27 O ATOM 1056 CB VAL D 136 37.490 41.796 -15.438 1.00 40.80 C ATOM 1057 CG1 VAL D 136 38.683 40.991 -15.740 1.00 38.30 C ATOM 1058 CG2 VAL D 136 36.559 41.767 -16.603 1.00 43.01 C ATOM 1059 N ASN D 137 38.622 40.241 -12.822 1.00 42.99 N ATOM 1060 CA ASN D 137 39.739 40.211 -11.858 1.00 46.85 C ATOM 1061 C ASN D 137 40.902 41.005 -12.493 1.00 47.29 C ATOM 1062 O ASN D 137 41.551 40.507 -13.414 1.00 51.07 O ATOM 1063 CB ASN D 137 40.198 38.780 -11.678 1.00 54.46 C ATOM 1064 CG ASN D 137 41.202 38.619 -10.558 1.00 51.85 C ATOM 1065 OD1 ASN D 137 42.324 39.148 -10.605 1.00 42.07 O ATOM 1066 ND2 ASN D 137 40.786 37.891 -9.524 1.00 50.09 N ATOM 1067 N TYR D 138 41.215 42.181 -11.959 1.00 47.79 N ATOM 1068 CA TYR D 138 42.227 43.009 -12.587 1.00 48.35 C ATOM 1069 C TYR D 138 43.627 42.476 -12.624 1.00 51.20 C ATOM 1070 O TYR D 138 44.480 42.960 -13.358 1.00 49.64 O ATOM 1071 CB TYR D 138 42.170 44.414 -12.014 1.00 54.50 C ATOM 1072 CG TYR D 138 42.674 44.583 -10.618 1.00 59.73 C ATOM 1073 CD1 TYR D 138 44.038 44.800 -10.388 1.00 61.70 C ATOM 1074 CD2 TYR D 138 41.795 44.567 -9.522 1.00 60.24 C ATOM 1075 CE1 TYR D 138 44.518 44.999 -9.103 1.00 67.81 C ATOM 1076 CE2 TYR D 138 42.259 44.763 -8.222 1.00 65.81 C ATOM 1077 CZ TYR D 138 43.625 44.980 -8.012 1.00 69.60 C ATOM 1078 OH TYR D 138 44.104 45.154 -6.734 1.00 67.63 O ATOM 1079 N GLU D 139 43.873 41.431 -11.857 1.00 59.45 N ATOM 1080 CA GLU D 139 45.193 40.860 -11.891 1.00 64.60 C ATOM 1081 C GLU D 139 45.500 40.366 -13.306 1.00 66.96 C ATOM 1082 O GLU D 139 46.656 40.349 -13.717 1.00 65.84 O ATOM 1083 CB GLU D 139 45.319 39.725 -10.891 1.00 64.54 C ATOM 1084 CG GLU D 139 46.216 40.111 -9.717 1.00 68.88 C ATOM 1085 CD GLU D 139 47.500 40.868 -10.147 1.00 73.08 C ATOM 1086 OE1 GLU D 139 48.306 40.320 -10.931 1.00 73.52 O ATOM 1087 OE2 GLU D 139 47.715 42.016 -9.690 1.00 71.38 O ATOM 1088 N GLU D 140 44.453 39.980 -14.037 1.00 66.94 N ATOM 1089 CA GLU D 140 44.582 39.521 -15.409 1.00 67.15 C ATOM 1090 C GLU D 140 45.158 40.611 -16.300 1.00 67.18 C ATOM 1091 O GLU D 140 46.148 40.392 -17.019 1.00 66.12 O ATOM 1092 CB GLU D 140 43.224 39.110 -15.940 1.00 68.24 C ATOM 1093 CG GLU D 140 42.726 37.833 -15.342 1.00 74.45 C ATOM 1094 CD GLU D 140 41.520 37.284 -16.048 1.00 77.17 C ATOM 1095 OE1 GLU D 140 41.606 37.059 -17.287 1.00 78.93 O ATOM 1096 OE2 GLU D 140 40.488 37.081 -15.363 1.00 78.73 O ATOM 1097 N PHE D 141 44.519 41.781 -16.268 1.00 64.86 N ATOM 1098 CA PHE D 141 44.995 42.928 -17.055 1.00 66.10 C ATOM 1099 C PHE D 141 46.459 43.260 -16.664 1.00 66.20 C ATOM 1100 O PHE D 141 47.293 43.576 -17.520 1.00 62.18 O ATOM 1101 CB PHE D 141 44.091 44.174 -16.840 1.00 63.94 C ATOM 1102 CG PHE D 141 42.667 43.986 -17.296 1.00 60.82 C ATOM 1103 CD1 PHE D 141 41.632 44.514 -16.577 1.00 62.07 C ATOM 1104 CD2 PHE D 141 42.371 43.228 -18.410 1.00 63.98 C ATOM 1105 CE1 PHE D 141 40.334 44.282 -16.950 1.00 68.14 C ATOM 1106 CE2 PHE D 141 41.074 42.988 -18.794 1.00 61.54 C ATOM 1107 CZ PHE D 141 40.064 43.508 -18.069 1.00 67.79 C ATOM 1108 N VAL D 142 46.767 43.184 -15.372 1.00 67.22 N ATOM 1109 CA VAL D 142 48.120 43.471 -14.928 1.00 71.54 C ATOM 1110 C VAL D 142 49.097 42.490 -15.553 1.00 72.86 C ATOM 1111 O VAL D 142 50.192 42.859 -15.972 1.00 71.76 O ATOM 1112 CB VAL D 142 48.239 43.349 -13.424 1.00 73.02 C ATOM 1113 CG1 VAL D 142 49.688 43.512 -13.003 1.00 68.19 C ATOM 1114 CG2 VAL D 142 47.362 44.384 -12.783 1.00 71.66 C ATOM 1115 N GLN D 143 48.682 41.234 -15.618 1.00 74.35 N ATOM 1116 CA GLN D 143 49.527 40.213 -16.192 1.00 76.84 C ATOM 1117 C GLN D 143 49.639 40.329 -17.705 1.00 75.77 C ATOM 1118 O GLN D 143 50.729 40.181 -18.237 1.00 75.80 O ATOM 1119 CB GLN D 143 49.029 38.834 -15.801 1.00 79.75 C ATOM 1120 CG GLN D 143 50.120 37.951 -15.213 1.00 87.57 C ATOM 1121 CD GLN D 143 51.113 38.726 -14.367 1.00 89.96 C ATOM 1122 OE1 GLN D 143 50.737 39.365 -13.391 1.00 92.02 O ATOM 1123 NE2 GLN D 143 52.396 38.673 -14.746 1.00 92.81 N ATOM 1124 N MET D 144 48.530 40.605 -18.394 1.00 73.62 N ATOM 1125 CA MET D 144 48.553 40.751 -19.855 1.00 71.28 C ATOM 1126 C MET D 144 49.521 41.854 -20.265 1.00 72.13 C ATOM 1127 O MET D 144 50.229 41.759 -21.275 1.00 72.07 O ATOM 1128 CB MET D 144 47.158 41.072 -20.381 1.00 70.32 C ATOM 1129 CG MET D 144 46.144 39.979 -20.103 1.00 79.49 C ATOM 1130 SD MET D 144 44.467 40.386 -20.612 1.00 81.85 S ATOM 1131 CE MET D 144 44.736 40.339 -22.414 1.00 87.73 C ATOM 1132 N MET D 145 49.549 42.911 -19.469 1.00 74.82 N ATOM 1133 CA MET D 145 50.410 44.041 -19.752 1.00 76.78 C ATOM 1134 C MET D 145 51.847 43.717 -19.401 1.00 82.19 C ATOM 1135 O MET D 145 52.761 44.339 -19.926 1.00 82.61 O ATOM 1136 CB MET D 145 49.929 45.267 -18.974 1.00 72.37 C ATOM 1137 CG MET D 145 48.567 45.797 -19.428 1.00 69.66 C ATOM 1138 SD MET D 145 48.157 47.451 -18.769 1.00 67.04 S ATOM 1139 CE MET D 145 49.474 48.466 -19.435 1.00 66.81 C ATOM 1140 N THR D 146 52.025 42.740 -18.506 1.00 87.69 N ATOM 1141 CA THR D 146 53.340 42.274 -18.043 1.00 91.33 C ATOM 1142 C THR D 146 54.040 41.322 -19.055 1.00 93.74 C ATOM 1143 O THR D 146 55.157 41.675 -19.491 1.00 94.94 O ATOM 1144 CB THR D 146 53.213 41.548 -16.649 1.00 92.85 C ATOM 1145 OG1 THR D 146 52.985 42.517 -15.617 1.00 90.81 O ATOM 1146 CG2 THR D 146 54.477 40.738 -16.328 1.00 93.65 C TER 1147 THR D 146 HETATM 1148 O HOH D 149 39.186 58.889 -6.719 1.00 42.53 O HETATM 1149 O HOH D 150 50.126 66.249 -15.038 1.00 55.61 O HETATM 1150 O HOH D 151 44.595 59.048 -3.216 1.00 46.95 O HETATM 1151 O HOH D 152 33.384 47.683 -10.007 1.00 34.18 O HETATM 1152 O HOH D 153 27.028 56.851 -11.763 1.00 36.08 O HETATM 1153 O HOH D 154 37.869 37.442 -13.914 0.90 48.90 O HETATM 1154 O HOH D 155 28.540 46.451 -16.174 1.00 33.76 O HETATM 1155 O HOH D 156 36.168 38.752 -22.658 0.90 49.85 O HETATM 1156 O HOH D 157 23.819 51.264 -15.511 1.00 63.26 O HETATM 1157 O HOH D 158 15.676 55.377 -18.384 1.00 59.28 O HETATM 1158 O HOH D 159 35.432 59.609 -3.378 1.00 46.73 O HETATM 1159 O HOH D 160 54.034 58.262 -17.461 1.00 61.52 O HETATM 1160 O HOH D 161 27.749 72.764 -18.114 1.00 58.14 O HETATM 1161 O HOH D 162 23.077 62.490 -12.101 1.00 51.09 O HETATM 1162 O HOH D 163 22.562 63.258 -28.761 1.00 76.35 O HETATM 1163 O HOH D 164 29.697 56.309 -13.788 1.00 27.96 O HETATM 1164 O HOH D 165 30.015 61.445 -34.074 1.00 72.10 O HETATM 1165 O HOH D 166 32.476 61.476 -35.548 1.00 73.31 O HETATM 1166 O HOH D 167 31.699 68.568 -24.537 1.00 67.34 O HETATM 1167 O HOH D 168 29.067 71.469 -15.986 1.00 63.31 O HETATM 1168 O HOH D 169 52.356 59.593 -19.588 1.00 68.82 O HETATM 1169 O HOH D 170 44.302 54.514 -28.794 1.00 53.37 O HETATM 1170 O HOH D 171 37.799 53.309 -30.418 1.00 67.44 O HETATM 1171 O HOH D 172 38.463 50.191 -26.927 1.00 63.51 O END If you find results from this site helpful for your research, please cite one of our papers:
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