Browse entries in the PDBbind-CN Database
HEADER PROTEIN BINDING 03-APR-12 4EHQ TITLE CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF ORAI1 IN COMPLEX TITLE 2 WITH CA2+/CALMODULIN DISPLAYS A UNIQUE BINDING MODE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALMODULIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CAM; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL PROTEIN 1; COMPND 8 CHAIN: G; COMPND 9 SYNONYM: PROTEIN ORAI-1, TRANSMEMBRANE PROTEIN 142A; COMPND 10 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: BROWN RAT,RAT,RATS; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 GENE: CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CAM3, CAMC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 11 ORGANISM_COMMON: HUMAN; SOURCE 12 ORGANISM_TAXID: 9606; SOURCE 13 OTHER_DETAILS: SYNTHETIC PEPTIDE KEYWDS CALMODULIN, ORAI1, CALCIUM DEPENDENT INACTIVATION, EF HAND, CALCIUM KEYWDS 2 BINDING, CALCIUM-DEPENDENT INACTIVATION, CALMODULIN BINDING DOMAIN KEYWDS 3 OF ORAI1, NONE, CYTOSOL, PROTEIN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR Y.LIU,X.ZHENG,G.A.MUELLER,M.SOBHANY,E.F.DEROSE,Y.ZHANG,R.E.LONDON, AUTHOR 2 L.BIRNBAUMER REVDAT 3 02-JAN-13 4EHQ 1 JRNL REVDAT 2 14-NOV-12 4EHQ 1 JRNL REVDAT 1 07-NOV-12 4EHQ 0 JRNL AUTH Y.LIU,X.ZHENG,G.A.MUELLER,M.SOBHANY,E.F.DEROSE,Y.ZHANG, JRNL AUTH 2 R.E.LONDON,L.BIRNBAUMER JRNL TITL CRYSTAL STRUCTURE OF CALMODULIN BINDING DOMAIN OF ORAI1 IN JRNL TITL 2 COMPLEX WITH CA2+*CALMODULIN DISPLAYS A UNIQUE BINDING MODE. JRNL REF J.BIOL.CHEM. V. 287 43030 2012 JRNL REFN ISSN 0021-9258 JRNL PMID 23109337 JRNL DOI 10.1074/JBC.M112.380964 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.4_486) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : MLHL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.99 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.1 REMARK 3 NUMBER OF REFLECTIONS : 11118 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.181 REMARK 3 R VALUE (WORKING SET) : 0.179 REMARK 3 FREE R VALUE : 0.216 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.710 REMARK 3 FREE R VALUE TEST SET COUNT : 524 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 19.9877 - 3.0143 0.98 2887 132 0.1883 0.2148 REMARK 3 2 3.0143 - 2.3938 0.97 2766 125 0.1824 0.2391 REMARK 3 3 2.3938 - 2.0916 0.98 2728 144 0.1573 0.1936 REMARK 3 4 2.0916 - 1.9005 0.80 2213 123 0.1647 0.2169 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.41 REMARK 3 B_SOL : 44.12 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.210 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.330 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.94820 REMARK 3 B22 (A**2) : -0.67420 REMARK 3 B33 (A**2) : -0.27400 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : 0.69510 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.014 1443 REMARK 3 ANGLE : 0.879 1991 REMARK 3 CHIRALITY : 0.064 210 REMARK 3 PLANARITY : 0.003 251 REMARK 3 DIHEDRAL : 13.077 581 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4EHQ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-12. REMARK 100 THE RCSB ID CODE IS RCSB071632. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-AUG-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : COPPER ANODE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU SATURN 92 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11497 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.3 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.08400 REMARK 200
FOR THE DATA SET : 12.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 73.9 REMARK 200 DATA REDUNDANCY IN SHELL : 2.20 REMARK 200 R MERGE FOR SHELL (I) : 0.23100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 3.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: PDB ENTRY 1IWQ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.94 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M BIS-TRIS PH 6.0, 40% PPG P400, REMARK 280 14% BUTYROLACTONE, 1% N-OCTYL-BETA-D-GLUCOPYRANOSIDE, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 50.03700 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 12.35450 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.03700 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 12.35450 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2730 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10970 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -75.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, G 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 ALA A 147 REMARK 465 LYS A 148 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 2 CG OD1 OD2 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLN A 41 OE1 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 203 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 93 OD1 REMARK 620 2 TYR A 99 O 81.9 REMARK 620 3 ASN A 97 OD1 89.5 83.0 REMARK 620 4 GLU A 104 OE1 100.8 80.3 158.9 REMARK 620 5 ASP A 95 OD1 82.4 151.1 72.8 126.5 REMARK 620 6 GLU A 104 OE2 94.9 131.6 145.5 52.7 73.9 REMARK 620 7 HOH A 316 O 173.9 94.5 85.2 83.4 98.8 91.2 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 202 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 129 OD1 REMARK 620 2 GLN A 135 O 85.4 REMARK 620 3 ASP A 131 OD1 81.1 154.3 REMARK 620 4 GLU A 140 OE1 108.3 80.0 125.1 REMARK 620 5 ASP A 133 OD1 86.5 76.3 81.1 150.8 REMARK 620 6 GLU A 140 OE2 90.7 128.2 74.0 52.5 155.1 REMARK 620 7 HOH A 304 O 164.5 99.4 88.7 87.0 80.4 97.6 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 204 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 56 OD1 REMARK 620 2 THR A 62 O 88.1 REMARK 620 3 ASN A 60 OD1 91.5 79.8 REMARK 620 4 GLU A 67 OE1 101.0 83.3 158.7 REMARK 620 5 ASP A 58 OD1 76.6 149.2 74.1 125.5 REMARK 620 6 GLU A 67 OE2 85.8 131.9 148.0 51.5 74.2 REMARK 620 7 HOH A 356 O 159.8 111.3 86.7 87.4 83.6 85.1 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 201 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 20 OD1 REMARK 620 2 ASP A 24 OD1 81.2 REMARK 620 3 THR A 26 O 80.0 77.8 REMARK 620 4 GLU A 31 OE2 99.4 157.0 125.1 REMARK 620 5 ASP A 22 OD1 85.0 81.6 156.1 75.6 REMARK 620 6 GLU A 31 OE1 110.7 148.8 76.2 52.4 126.9 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GBL A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GBL A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GBL A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GBL G 101 DBREF 4EHQ A 1 148 UNP P62161 CALM_RAT 2 149 DBREF 4EHQ G 69 88 UNP Q96D31 CRCM1_HUMAN 69 88 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 ASP 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 SEQRES 1 G 20 HIS SER MET GLN ALA LEU SER TRP ARG LYS LEU TYR LEU SEQRES 2 G 20 SER ARG ALA LYS LEU LYS ALA HET CA A 201 1 HET CA A 202 1 HET CA A 203 1 HET CA A 204 1 HET GBL A 205 12 HET GBL A 206 12 HET GBL A 207 12 HET GBL G 101 12 HETNAM CA CALCIUM ION HETNAM GBL GAMMA-BUTYROLACTONE HETSYN GBL DIHYDROFURAN-2(3H)-ONE FORMUL 3 CA 4(CA 2+) FORMUL 7 GBL 4(C4 H6 O2) FORMUL 11 HOH *88(H2 O) HELIX 1 1 THR A 5 ASP A 20 1 16 HELIX 2 2 THR A 28 LEU A 39 1 12 HELIX 3 3 THR A 44 ASP A 56 1 13 HELIX 4 4 ASP A 64 ASP A 93 1 30 HELIX 5 5 SER A 101 LEU A 112 1 12 HELIX 6 6 THR A 117 ASP A 129 1 13 HELIX 7 7 TYR A 138 THR A 146 1 9 HELIX 8 8 SER G 75 LYS G 87 1 13 SHEET 1 A 2 TYR A 99 ILE A 100 0 SHEET 2 A 2 VAL A 136 ASN A 137 -1 O VAL A 136 N ILE A 100 LINK OD1 ASP A 93 CA CA A 203 1555 1555 2.30 LINK OD1 ASP A 129 CA CA A 202 1555 1555 2.30 LINK OD1 ASP A 56 CA CA A 204 1555 1555 2.32 LINK O TYR A 99 CA CA A 203 1555 1555 2.33 LINK OD1 ASP A 20 CA CA A 201 1555 1555 2.35 LINK O THR A 62 CA CA A 204 1555 1555 2.35 LINK O GLN A 135 CA CA A 202 1555 1555 2.36 LINK OD1 ASN A 97 CA CA A 203 1555 1555 2.36 LINK OE1 GLU A 104 CA CA A 203 1555 1555 2.38 LINK OD1 ASP A 24 CA CA A 201 1555 1555 2.38 LINK OD1 ASN A 60 CA CA A 204 1555 1555 2.38 LINK O THR A 26 CA CA A 201 1555 1555 2.38 LINK OD1 ASP A 131 CA CA A 202 1555 1555 2.40 LINK OE1 GLU A 140 CA CA A 202 1555 1555 2.40 LINK OD1 ASP A 133 CA CA A 202 1555 1555 2.41 LINK OD1 ASP A 95 CA CA A 203 1555 1555 2.42 LINK OE2 GLU A 31 CA CA A 201 1555 1555 2.45 LINK OE1 GLU A 67 CA CA A 204 1555 1555 2.45 LINK OD1 ASP A 22 CA CA A 201 1555 1555 2.50 LINK OE2 GLU A 140 CA CA A 202 1555 1555 2.52 LINK OE1 GLU A 31 CA CA A 201 1555 1555 2.52 LINK OE2 GLU A 104 CA CA A 203 1555 1555 2.54 LINK OD1 ASP A 58 CA CA A 204 1555 1555 2.54 LINK OE2 GLU A 67 CA CA A 204 1555 1555 2.59 LINK CA CA A 203 O HOH A 316 1555 1555 2.37 LINK CA CA A 204 O HOH A 356 1555 1555 2.41 LINK CA CA A 202 O HOH A 304 1555 1555 2.44 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 306 SITE 1 AC2 6 ASP A 129 ASP A 131 ASP A 133 GLN A 135 SITE 2 AC2 6 GLU A 140 HOH A 304 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 316 SITE 1 AC4 6 ASP A 56 ASP A 58 ASN A 60 THR A 62 SITE 2 AC4 6 GLU A 67 HOH A 356 SITE 1 AC5 6 GLU A 45 ALA A 46 GLY A 98 TYR A 99 SITE 2 AC5 6 ASN A 137 HOH A 369 SITE 1 AC6 4 GLU A 45 PHE A 89 TYR A 138 HOH A 327 SITE 1 AC7 6 ALA A 57 PRO A 66 GLU A 67 THR A 70 SITE 2 AC7 6 LYS G 78 HOH G 206 SITE 1 AC8 7 MET A 109 LEU A 112 GLU A 114 LEU G 74 SITE 2 AC8 7 LYS G 78 LEU G 79 SER G 82 CRYST1 100.074 24.709 60.903 90.00 100.10 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009993 0.000000 0.001779 0.00000 SCALE2 0.000000 0.040471 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016678 0.00000 ATOM 1 N ASP A 2 25.446 -3.413 35.358 1.00 45.78 N ATOM 2 CA ASP A 2 24.016 -3.139 35.417 1.00 53.71 C ATOM 3 C ASP A 2 23.775 -1.639 35.496 1.00 52.05 C ATOM 4 O ASP A 2 24.178 -0.982 36.459 1.00 39.81 O ATOM 5 CB ASP A 2 23.386 -3.844 36.603 1.00 49.43 C ATOM 6 N GLN A 3 23.106 -1.104 34.482 1.00 40.52 N ATOM 7 CA GLN A 3 22.948 0.337 34.354 1.00 42.50 C ATOM 8 C GLN A 3 21.765 0.902 35.142 1.00 35.71 C ATOM 9 O GLN A 3 20.622 0.470 34.977 1.00 37.61 O ATOM 10 CB GLN A 3 22.820 0.720 32.884 1.00 36.66 C ATOM 11 CG GLN A 3 22.876 2.214 32.639 1.00 29.42 C ATOM 12 CD GLN A 3 22.611 2.564 31.193 1.00 37.77 C ATOM 13 OE1 GLN A 3 21.516 3.009 30.843 1.00 35.34 O ATOM 14 NE2 GLN A 3 23.610 2.363 30.341 1.00 42.21 N ATOM 15 N LEU A 4 22.054 1.877 35.995 1.00 19.00 N ATOM 16 CA LEU A 4 21.023 2.628 36.706 1.00 27.23 C ATOM 17 C LEU A 4 21.524 4.047 36.973 1.00 18.39 C ATOM 18 O LEU A 4 22.231 4.290 37.948 1.00 18.09 O ATOM 19 CB LEU A 4 20.643 1.931 38.017 1.00 28.53 C ATOM 20 CG LEU A 4 19.467 2.497 38.816 1.00 28.55 C ATOM 21 CD1 LEU A 4 18.184 2.544 37.975 1.00 27.00 C ATOM 22 CD2 LEU A 4 19.253 1.678 40.089 1.00 24.86 C ATOM 23 N THR A 5 21.161 4.972 36.091 1.00 22.07 N ATOM 24 CA THR A 5 21.581 6.366 36.209 1.00 29.22 C ATOM 25 C THR A 5 20.690 7.143 37.176 1.00 24.61 C ATOM 26 O THR A 5 19.663 6.637 37.638 1.00 20.55 O ATOM 27 CB THR A 5 21.555 7.083 34.841 1.00 25.45 C ATOM 28 OG1 THR A 5 20.217 7.089 34.325 1.00 20.21 O ATOM 29 CG2 THR A 5 22.482 6.387 33.848 1.00 24.48 C ATOM 30 N GLU A 6 21.095 8.372 37.483 1.00 22.41 N ATOM 31 CA GLU A 6 20.297 9.259 38.331 1.00 22.13 C ATOM 32 C GLU A 6 18.906 9.481 37.734 1.00 22.59 C ATOM 33 O GLU A 6 17.892 9.432 38.439 1.00 20.00 O ATOM 34 CB GLU A 6 21.010 10.601 38.505 1.00 32.25 C ATOM 35 CG GLU A 6 22.505 10.473 38.758 1.00 42.61 C ATOM 36 CD GLU A 6 23.142 11.787 39.171 1.00 66.12 C ATOM 37 OE1 GLU A 6 22.435 12.617 39.786 1.00 62.82 O ATOM 38 OE2 GLU A 6 24.344 11.988 38.882 1.00 66.15 O ATOM 39 N GLU A 7 18.868 9.731 36.430 1.00 19.29 N ATOM 40 CA GLU A 7 17.613 9.940 35.720 1.00 22.72 C ATOM 41 C GLU A 7 16.752 8.673 35.698 1.00 18.90 C ATOM 42 O GLU A 7 15.529 8.747 35.837 1.00 19.83 O ATOM 43 CB GLU A 7 17.873 10.424 34.290 1.00 37.26 C ATOM 44 CG GLU A 7 16.617 10.510 33.431 1.00 30.42 C ATOM 45 CD GLU A 7 15.538 11.395 34.054 1.00 44.80 C ATOM 46 OE1 GLU A 7 15.869 12.233 34.920 1.00 44.11 O ATOM 47 OE2 GLU A 7 14.353 11.249 33.681 1.00 49.34 O ATOM 48 N GLN A 8 17.381 7.518 35.501 1.00 18.87 N ATOM 49 CA GLN A 8 16.646 6.246 35.513 1.00 23.80 C ATOM 50 C GLN A 8 16.037 5.942 36.886 1.00 18.84 C ATOM 51 O GLN A 8 14.915 5.445 36.980 1.00 17.05 O ATOM 52 CB GLN A 8 17.532 5.093 35.027 1.00 23.94 C ATOM 53 CG GLN A 8 17.985 5.266 33.571 1.00 32.22 C ATOM 54 CD GLN A 8 18.928 4.171 33.088 1.00 33.24 C ATOM 55 OE1 GLN A 8 19.521 3.442 33.884 1.00 30.81 O ATOM 56 NE2 GLN A 8 19.066 4.055 31.773 1.00 33.51 N ATOM 57 N ILE A 9 16.771 6.255 37.948 1.00 18.08 N ATOM 58 CA ILE A 9 16.257 6.094 39.305 1.00 24.34 C ATOM 59 C ILE A 9 15.051 7.004 39.559 1.00 23.49 C ATOM 60 O ILE A 9 14.048 6.576 40.128 1.00 16.28 O ATOM 61 CB ILE A 9 17.345 6.372 40.363 1.00 23.18 C ATOM 62 CG1 ILE A 9 18.471 5.344 40.250 1.00 17.15 C ATOM 63 CG2 ILE A 9 16.751 6.361 41.767 1.00 23.69 C ATOM 64 CD1 ILE A 9 19.622 5.620 41.198 1.00 29.52 C ATOM 65 N ALA A 10 15.150 8.258 39.136 1.00 18.28 N ATOM 66 CA ALA A 10 14.026 9.185 39.250 1.00 23.44 C ATOM 67 C ALA A 10 12.791 8.693 38.490 1.00 16.76 C ATOM 68 O ALA A 10 11.674 8.802 38.979 1.00 17.45 O ATOM 69 CB ALA A 10 14.430 10.580 38.785 1.00 26.28 C ATOM 70 N GLU A 11 12.988 8.138 37.299 1.00 16.81 N ATOM 71 CA GLU A 11 11.866 7.623 36.524 1.00 19.41 C ATOM 72 C GLU A 11 11.235 6.405 37.187 1.00 22.09 C ATOM 73 O GLU A 11 10.017 6.245 37.156 1.00 17.79 O ATOM 74 CB GLU A 11 12.293 7.291 35.091 1.00 24.64 C ATOM 75 CG GLU A 11 12.500 8.522 34.231 1.00 27.94 C ATOM 76 CD GLU A 11 13.303 8.244 32.971 1.00 35.10 C ATOM 77 OE1 GLU A 11 13.548 7.060 32.659 1.00 37.99 O ATOM 78 OE2 GLU A 11 13.696 9.221 32.294 1.00 42.11 O ATOM 79 N PHE A 12 12.058 5.542 37.775 1.00 16.23 N ATOM 80 CA PHE A 12 11.524 4.423 38.555 1.00 15.94 C ATOM 81 C PHE A 12 10.712 4.879 39.784 1.00 16.81 C ATOM 82 O PHE A 12 9.706 4.250 40.141 1.00 14.11 O ATOM 83 CB PHE A 12 12.644 3.475 38.994 1.00 16.71 C ATOM 84 CG PHE A 12 13.084 2.519 37.921 1.00 17.60 C ATOM 85 CD1 PHE A 12 12.213 1.563 37.419 1.00 15.74 C ATOM 86 CD2 PHE A 12 14.375 2.557 37.432 1.00 14.45 C ATOM 87 CE1 PHE A 12 12.615 0.677 36.446 1.00 21.68 C ATOM 88 CE2 PHE A 12 14.778 1.679 36.447 1.00 13.07 C ATOM 89 CZ PHE A 12 13.898 0.734 35.954 1.00 19.99 C ATOM 90 N LYS A 13 11.158 5.948 40.442 1.00 15.50 N ATOM 91 CA LYS A 13 10.433 6.474 41.597 1.00 17.74 C ATOM 92 C LYS A 13 9.111 7.114 41.189 1.00 17.77 C ATOM 93 O LYS A 13 8.122 7.027 41.915 1.00 13.36 O ATOM 94 CB LYS A 13 11.284 7.461 42.396 1.00 17.69 C ATOM 95 CG LYS A 13 12.584 6.880 42.941 1.00 24.68 C ATOM 96 CD LYS A 13 13.474 7.989 43.512 1.00 30.65 C ATOM 97 CE LYS A 13 13.733 7.805 44.993 1.00 22.74 C ATOM 98 NZ LYS A 13 14.729 8.808 45.509 1.00 30.36 N ATOM 99 N GLU A 14 9.091 7.741 40.016 1.00 20.10 N ATOM 100 CA GLU A 14 7.861 8.317 39.480 1.00 20.59 C ATOM 101 C GLU A 14 6.835 7.229 39.200 1.00 16.89 C ATOM 102 O GLU A 14 5.654 7.366 39.537 1.00 16.83 O ATOM 103 CB GLU A 14 8.150 9.123 38.205 1.00 20.05 C ATOM 104 CG GLU A 14 8.822 10.453 38.487 1.00 24.73 C ATOM 105 CD GLU A 14 9.183 11.229 37.226 1.00 39.25 C ATOM 106 OE1 GLU A 14 9.588 10.606 36.218 1.00 33.85 O ATOM 107 OE2 GLU A 14 9.064 12.471 37.250 1.00 43.53 O ATOM 108 N ALA A 15 7.286 6.141 38.588 1.00 12.77 N ATOM 109 CA ALA A 15 6.407 5.007 38.316 1.00 19.16 C ATOM 110 C ALA A 15 5.947 4.353 39.620 1.00 14.68 C ATOM 111 O ALA A 15 4.773 4.031 39.777 1.00 17.33 O ATOM 112 CB ALA A 15 7.103 3.988 37.405 1.00 21.97 C ATOM 113 N PHE A 16 6.873 4.165 40.554 1.00 11.46 N ATOM 114 CA PHE A 16 6.539 3.613 41.866 1.00 14.16 C ATOM 115 C PHE A 16 5.491 4.467 42.583 1.00 13.78 C ATOM 116 O PHE A 16 4.573 3.942 43.212 1.00 13.43 O ATOM 117 CB PHE A 16 7.795 3.500 42.743 1.00 11.31 C ATOM 118 CG PHE A 16 7.557 2.822 44.074 1.00 10.07 C ATOM 119 CD1 PHE A 16 7.602 1.435 44.175 1.00 11.33 C ATOM 120 CD2 PHE A 16 7.283 3.567 45.215 1.00 18.70 C ATOM 121 CE1 PHE A 16 7.379 0.798 45.393 1.00 10.44 C ATOM 122 CE2 PHE A 16 7.055 2.938 46.446 1.00 13.87 C ATOM 123 CZ PHE A 16 7.110 1.554 46.526 1.00 15.71 C ATOM 124 N SER A 17 5.626 5.782 42.487 1.00 13.51 N ATOM 125 CA ASER A 17 4.711 6.687 43.180 0.42 17.10 C ATOM 126 CA BSER A 17 4.708 6.687 43.175 0.28 17.07 C ATOM 127 CA CSER A 17 4.716 6.704 43.160 0.30 17.08 C ATOM 128 C SER A 17 3.285 6.591 42.641 1.00 11.28 C ATOM 129 O SER A 17 2.321 6.840 43.375 1.00 14.68 O ATOM 130 CB ASER A 17 5.213 8.137 43.121 0.42 17.50 C ATOM 131 CB BSER A 17 5.204 8.132 43.103 0.28 17.50 C ATOM 132 CB CSER A 17 5.217 8.144 43.015 0.30 17.50 C ATOM 133 OG ASER A 17 5.051 8.690 41.826 0.42 15.44 O ATOM 134 OG BSER A 17 6.310 8.324 43.962 0.28 19.13 O ATOM 135 OG CSER A 17 4.172 9.070 43.248 0.30 15.55 O ATOM 136 N LEU A 18 3.149 6.232 41.367 1.00 12.75 N ATOM 137 CA LEU A 18 1.827 6.051 40.775 1.00 13.26 C ATOM 138 C LEU A 18 1.077 4.900 41.465 1.00 18.14 C ATOM 139 O LEU A 18 -0.140 4.954 41.661 1.00 17.29 O ATOM 140 CB LEU A 18 1.937 5.781 39.274 1.00 23.39 C ATOM 141 CG LEU A 18 2.455 6.931 38.403 1.00 40.63 C ATOM 142 CD1 LEU A 18 2.533 6.506 36.941 1.00 42.19 C ATOM 143 CD2 LEU A 18 1.578 8.171 38.559 1.00 56.87 C ATOM 144 N PHE A 19 1.820 3.862 41.833 1.00 11.29 N ATOM 145 CA PHE A 19 1.257 2.715 42.540 1.00 15.84 C ATOM 146 C PHE A 19 1.102 2.983 44.035 1.00 12.62 C ATOM 147 O PHE A 19 0.066 2.657 44.632 1.00 15.15 O ATOM 148 CB PHE A 19 2.145 1.492 42.324 1.00 16.06 C ATOM 149 CG PHE A 19 2.039 0.915 40.946 1.00 16.25 C ATOM 150 CD1 PHE A 19 1.076 -0.042 40.658 1.00 13.19 C ATOM 151 CD2 PHE A 19 2.882 1.341 39.936 1.00 14.95 C ATOM 152 CE1 PHE A 19 0.964 -0.577 39.396 1.00 17.71 C ATOM 153 CE2 PHE A 19 2.771 0.813 38.665 1.00 15.74 C ATOM 154 CZ PHE A 19 1.809 -0.154 38.395 1.00 17.10 C ATOM 155 N ASP A 20 2.128 3.596 44.620 1.00 11.82 N ATOM 156 CA ASP A 20 2.162 3.880 46.058 1.00 17.55 C ATOM 157 C ASP A 20 1.281 5.084 46.401 1.00 19.13 C ATOM 158 O ASP A 20 1.771 6.191 46.666 1.00 16.97 O ATOM 159 CB ASP A 20 3.604 4.093 46.528 1.00 10.40 C ATOM 160 CG ASP A 20 3.713 4.252 48.049 1.00 14.08 C ATOM 161 OD1 ASP A 20 2.712 4.014 48.743 1.00 13.57 O ATOM 162 OD2 ASP A 20 4.796 4.596 48.550 1.00 16.54 O ATOM 163 N LYS A 21 -0.028 4.850 46.400 1.00 16.48 N ATOM 164 CA LYS A 21 -1.017 5.922 46.546 1.00 20.79 C ATOM 165 C LYS A 21 -0.849 6.755 47.818 1.00 14.86 C ATOM 166 O LYS A 21 -0.999 7.982 47.784 1.00 13.79 O ATOM 167 CB LYS A 21 -2.444 5.354 46.484 1.00 19.78 C ATOM 168 CG LYS A 21 -2.788 4.678 45.168 1.00 21.95 C ATOM 169 CD LYS A 21 -2.628 5.643 43.992 1.00 16.18 C ATOM 170 CE LYS A 21 -3.133 4.998 42.695 1.00 19.50 C ATOM 171 NZ LYS A 21 -2.943 5.870 41.512 1.00 15.51 N ATOM 172 N ASP A 22 -0.551 6.101 48.937 1.00 12.91 N ATOM 173 CA ASP A 22 -0.428 6.830 50.198 1.00 24.17 C ATOM 174 C ASP A 22 1.008 7.190 50.587 1.00 16.89 C ATOM 175 O ASP A 22 1.241 7.725 51.663 1.00 22.08 O ATOM 176 CB ASP A 22 -1.158 6.109 51.339 1.00 22.36 C ATOM 177 CG ASP A 22 -0.442 4.865 51.811 1.00 19.68 C ATOM 178 OD1 ASP A 22 0.527 4.405 51.155 1.00 16.00 O ATOM 179 OD2 ASP A 22 -0.869 4.335 52.854 1.00 21.27 O ATOM 180 N GLY A 23 1.960 6.905 49.705 1.00 20.26 N ATOM 181 CA GLY A 23 3.344 7.316 49.892 1.00 18.40 C ATOM 182 C GLY A 23 4.101 6.735 51.077 1.00 16.79 C ATOM 183 O GLY A 23 5.074 7.325 51.537 1.00 17.84 O ATOM 184 N ASP A 24 3.682 5.565 51.548 1.00 13.89 N ATOM 185 CA ASP A 24 4.311 4.928 52.699 1.00 15.68 C ATOM 186 C ASP A 24 5.548 4.124 52.291 1.00 18.44 C ATOM 187 O ASP A 24 6.241 3.585 53.143 1.00 18.27 O ATOM 188 CB ASP A 24 3.316 3.996 53.408 1.00 14.74 C ATOM 189 CG ASP A 24 3.182 2.645 52.701 1.00 13.66 C ATOM 190 OD1 ASP A 24 3.159 2.630 51.450 1.00 16.01 O ATOM 191 OD2 ASP A 24 3.120 1.605 53.387 1.00 13.67 O ATOM 192 N GLY A 25 5.806 4.023 50.987 1.00 16.95 N ATOM 193 CA GLY A 25 6.949 3.268 50.496 1.00 14.51 C ATOM 194 C GLY A 25 6.665 1.801 50.224 1.00 13.65 C ATOM 195 O GLY A 25 7.586 1.022 49.980 1.00 14.86 O ATOM 196 N THR A 26 5.395 1.408 50.260 1.00 11.23 N ATOM 197 CA THR A 26 5.039 0.042 49.872 1.00 17.21 C ATOM 198 C THR A 26 3.823 0.048 48.946 1.00 13.76 C ATOM 199 O THR A 26 3.048 1.000 48.947 1.00 11.44 O ATOM 200 CB THR A 26 4.762 -0.868 51.101 1.00 16.80 C ATOM 201 OG1 THR A 26 3.539 -0.473 51.749 1.00 15.24 O ATOM 202 CG2 THR A 26 5.906 -0.797 52.091 1.00 20.60 C ATOM 203 N ILE A 27 3.682 -1.001 48.136 1.00 12.85 N ATOM 204 CA ILE A 27 2.520 -1.160 47.269 1.00 9.37 C ATOM 205 C ILE A 27 1.763 -2.380 47.732 1.00 11.29 C ATOM 206 O ILE A 27 2.300 -3.495 47.739 1.00 15.14 O ATOM 207 CB ILE A 27 2.896 -1.341 45.775 1.00 8.34 C ATOM 208 CG1 ILE A 27 3.598 -0.100 45.235 1.00 9.67 C ATOM 209 CG2 ILE A 27 1.644 -1.586 44.915 1.00 10.64 C ATOM 210 CD1 ILE A 27 4.497 -0.410 44.043 1.00 9.49 C ATOM 211 N THR A 28 0.517 -2.161 48.128 1.00 13.20 N ATOM 212 CA THR A 28 -0.365 -3.219 48.596 1.00 10.99 C ATOM 213 C THR A 28 -1.276 -3.713 47.470 1.00 13.63 C ATOM 214 O THR A 28 -1.411 -3.065 46.435 1.00 8.94 O ATOM 215 CB THR A 28 -1.289 -2.680 49.718 1.00 15.31 C ATOM 216 OG1 THR A 28 -2.117 -1.638 49.186 1.00 12.53 O ATOM 217 CG2 THR A 28 -0.468 -2.126 50.894 1.00 16.81 C ATOM 218 N THR A 29 -1.918 -4.858 47.688 1.00 12.94 N ATOM 219 CA ATHR A 29 -2.902 -5.372 46.743 0.71 12.86 C ATOM 220 CA BTHR A 29 -2.918 -5.381 46.768 0.29 12.90 C ATOM 221 C THR A 29 -3.984 -4.330 46.426 1.00 11.44 C ATOM 222 O THR A 29 -4.404 -4.193 45.280 1.00 14.54 O ATOM 223 CB ATHR A 29 -3.570 -6.680 47.247 0.71 14.72 C ATOM 224 CB BTHR A 29 -3.610 -6.615 47.378 0.29 14.79 C ATOM 225 OG1ATHR A 29 -4.243 -6.437 48.488 0.71 14.40 O ATOM 226 OG1BTHR A 29 -2.620 -7.579 47.761 0.29 17.47 O ATOM 227 CG2ATHR A 29 -2.524 -7.766 47.455 0.71 18.31 C ATOM 228 CG2BTHR A 29 -4.568 -7.234 46.389 0.29 14.46 C ATOM 229 N LYS A 30 -4.425 -3.591 47.438 1.00 15.29 N ATOM 230 CA LYS A 30 -5.472 -2.581 47.255 1.00 14.82 C ATOM 231 C LYS A 30 -5.029 -1.415 46.371 1.00 12.24 C ATOM 232 O LYS A 30 -5.781 -0.958 45.515 1.00 13.51 O ATOM 233 CB LYS A 30 -5.959 -2.058 48.606 1.00 17.70 C ATOM 234 CG LYS A 30 -6.567 -3.151 49.477 1.00 24.35 C ATOM 235 CD LYS A 30 -6.994 -2.635 50.842 1.00 25.95 C ATOM 236 CE LYS A 30 -7.667 -3.765 51.623 1.00 49.46 C ATOM 237 NZ LYS A 30 -8.278 -3.327 52.905 1.00 32.31 N ATOM 238 N GLU A 31 -3.807 -0.939 46.570 1.00 16.69 N ATOM 239 CA GLU A 31 -3.283 0.132 45.729 1.00 13.71 C ATOM 240 C GLU A 31 -3.140 -0.364 44.299 1.00 14.16 C ATOM 241 O GLU A 31 -3.438 0.356 43.358 1.00 12.56 O ATOM 242 CB GLU A 31 -1.956 0.653 46.280 1.00 9.10 C ATOM 243 CG GLU A 31 -2.147 1.457 47.579 1.00 14.36 C ATOM 244 CD GLU A 31 -0.843 1.830 48.261 1.00 15.99 C ATOM 245 OE1 GLU A 31 0.106 1.018 48.235 1.00 14.50 O ATOM 246 OE2 GLU A 31 -0.778 2.930 48.847 1.00 15.55 O ATOM 247 N LEU A 32 -2.710 -1.611 44.139 1.00 11.98 N ATOM 248 CA LEU A 32 -2.607 -2.206 42.806 1.00 15.54 C ATOM 249 C LEU A 32 -3.970 -2.335 42.106 1.00 16.03 C ATOM 250 O LEU A 32 -4.073 -2.166 40.886 1.00 15.60 O ATOM 251 CB LEU A 32 -1.912 -3.575 42.869 1.00 10.70 C ATOM 252 CG LEU A 32 -1.808 -4.289 41.523 1.00 17.72 C ATOM 253 CD1 LEU A 32 -1.122 -3.390 40.486 1.00 15.59 C ATOM 254 CD2 LEU A 32 -1.060 -5.612 41.674 1.00 16.88 C ATOM 255 N GLY A 33 -5.011 -2.648 42.869 1.00 14.13 N ATOM 256 CA GLY A 33 -6.351 -2.712 42.309 1.00 14.54 C ATOM 257 C GLY A 33 -6.775 -1.366 41.742 1.00 15.51 C ATOM 258 O GLY A 33 -7.340 -1.282 40.647 1.00 13.22 O ATOM 259 N THR A 34 -6.499 -0.307 42.500 1.00 14.15 N ATOM 260 CA THR A 34 -6.833 1.050 42.091 1.00 18.21 C ATOM 261 C THR A 34 -6.179 1.386 40.755 1.00 15.32 C ATOM 262 O THR A 34 -6.832 1.886 39.834 1.00 17.76 O ATOM 263 CB THR A 34 -6.409 2.063 43.165 1.00 23.72 C ATOM 264 OG1 THR A 34 -7.165 1.819 44.356 1.00 15.74 O ATOM 265 CG2 THR A 34 -6.636 3.508 42.692 1.00 16.92 C ATOM 266 N VAL A 35 -4.891 1.100 40.639 1.00 16.93 N ATOM 267 CA VAL A 35 -4.192 1.366 39.389 1.00 14.22 C ATOM 268 C VAL A 35 -4.749 0.510 38.247 1.00 18.89 C ATOM 269 O VAL A 35 -4.943 0.997 37.137 1.00 19.85 O ATOM 270 CB VAL A 35 -2.676 1.128 39.520 1.00 15.69 C ATOM 271 CG1 VAL A 35 -2.005 1.254 38.163 1.00 15.00 C ATOM 272 CG2 VAL A 35 -2.074 2.124 40.518 1.00 14.93 C ATOM 273 N MET A 36 -5.008 -0.766 38.506 1.00 14.52 N ATOM 274 CA AMET A 36 -5.481 -1.630 37.437 0.37 20.20 C ATOM 275 CA BMET A 36 -5.488 -1.657 37.452 0.63 20.21 C ATOM 276 C MET A 36 -6.859 -1.222 36.933 1.00 24.26 C ATOM 277 O MET A 36 -7.143 -1.320 35.736 1.00 20.51 O ATOM 278 CB AMET A 36 -5.452 -3.086 37.874 0.37 17.88 C ATOM 279 CB BMET A 36 -5.532 -3.113 37.927 0.63 17.85 C ATOM 280 CG AMET A 36 -4.052 -3.548 38.186 0.37 20.98 C ATOM 281 CG BMET A 36 -4.166 -3.745 38.193 0.63 20.69 C ATOM 282 SD AMET A 36 -3.968 -5.316 38.407 0.37 26.79 S ATOM 283 SD BMET A 36 -3.022 -3.669 36.792 0.63 26.63 S ATOM 284 CE AMET A 36 -4.746 -5.872 36.888 0.37 19.66 C ATOM 285 CE BMET A 36 -4.036 -4.404 35.511 0.63 25.33 C ATOM 286 N ARG A 37 -7.710 -0.742 37.836 1.00 16.36 N ATOM 287 CA ARG A 37 -9.023 -0.267 37.427 1.00 20.91 C ATOM 288 C ARG A 37 -8.918 0.980 36.542 1.00 29.74 C ATOM 289 O ARG A 37 -9.664 1.139 35.569 1.00 23.73 O ATOM 290 CB ARG A 37 -9.929 -0.052 38.646 1.00 17.08 C ATOM 291 CG ARG A 37 -10.345 -1.379 39.264 1.00 20.34 C ATOM 292 CD ARG A 37 -11.386 -1.244 40.365 1.00 16.38 C ATOM 293 NE ARG A 37 -10.850 -0.628 41.577 1.00 22.34 N ATOM 294 CZ ARG A 37 -10.249 -1.301 42.555 1.00 16.54 C ATOM 295 NH1 ARG A 37 -10.096 -2.615 42.469 1.00 15.94 N ATOM 296 NH2 ARG A 37 -9.795 -0.656 43.618 1.00 23.17 N ATOM 297 N SER A 38 -7.963 1.845 36.856 1.00 24.66 N ATOM 298 CA SER A 38 -7.745 3.042 36.051 1.00 24.69 C ATOM 299 C SER A 38 -7.291 2.672 34.641 1.00 23.52 C ATOM 300 O SER A 38 -7.398 3.477 33.729 1.00 33.61 O ATOM 301 CB SER A 38 -6.716 3.965 36.708 1.00 26.15 C ATOM 302 OG SER A 38 -5.402 3.531 36.409 1.00 34.28 O ATOM 303 N LEU A 39 -6.779 1.453 34.468 1.00 30.56 N ATOM 304 CA LEU A 39 -6.378 0.968 33.149 1.00 28.75 C ATOM 305 C LEU A 39 -7.531 0.246 32.455 1.00 31.10 C ATOM 306 O LEU A 39 -7.394 -0.222 31.330 1.00 29.76 O ATOM 307 CB LEU A 39 -5.163 0.036 33.248 1.00 27.55 C ATOM 308 CG LEU A 39 -3.839 0.617 33.753 1.00 26.59 C ATOM 309 CD1 LEU A 39 -2.842 -0.490 34.070 1.00 26.66 C ATOM 310 CD2 LEU A 39 -3.252 1.600 32.747 1.00 38.37 C ATOM 311 N GLY A 40 -8.663 0.148 33.145 1.00 28.76 N ATOM 312 CA GLY A 40 -9.860 -0.443 32.579 1.00 24.51 C ATOM 313 C GLY A 40 -10.021 -1.918 32.872 1.00 28.87 C ATOM 314 O GLY A 40 -10.877 -2.584 32.292 1.00 26.90 O ATOM 315 N GLN A 41 -9.199 -2.442 33.774 1.00 26.53 N ATOM 316 CA GLN A 41 -9.338 -3.831 34.184 1.00 21.26 C ATOM 317 C GLN A 41 -10.138 -3.889 35.479 1.00 19.76 C ATOM 318 O GLN A 41 -10.408 -2.858 36.086 1.00 22.40 O ATOM 319 CB GLN A 41 -7.963 -4.463 34.344 1.00 23.58 C ATOM 320 CG GLN A 41 -7.035 -4.139 33.173 1.00 25.78 C ATOM 321 CD GLN A 41 -5.798 -5.008 33.142 1.00 47.39 C ATOM 322 OE1 GLN A 41 -5.718 -6.025 33.831 0.00 34.75 O ATOM 323 NE2 GLN A 41 -4.819 -4.609 32.335 1.00 47.51 N ATOM 324 N ASN A 42 -10.533 -5.085 35.902 1.00 19.05 N ATOM 325 CA ASN A 42 -11.300 -5.216 37.144 1.00 17.91 C ATOM 326 C ASN A 42 -10.917 -6.488 37.902 1.00 18.99 C ATOM 327 O ASN A 42 -11.754 -7.365 38.153 1.00 18.79 O ATOM 328 CB ASN A 42 -12.796 -5.191 36.843 1.00 22.33 C ATOM 329 CG ASN A 42 -13.631 -4.795 38.047 1.00 20.70 C ATOM 330 OD1 ASN A 42 -13.106 -4.311 39.050 1.00 24.00 O ATOM 331 ND2 ASN A 42 -14.946 -4.989 37.944 1.00 22.95 N ATOM 332 N PRO A 43 -9.639 -6.594 38.278 1.00 22.53 N ATOM 333 CA PRO A 43 -9.149 -7.850 38.857 1.00 19.64 C ATOM 334 C PRO A 43 -9.865 -8.177 40.166 1.00 15.60 C ATOM 335 O PRO A 43 -10.309 -7.257 40.854 1.00 19.62 O ATOM 336 CB PRO A 43 -7.661 -7.563 39.100 1.00 23.76 C ATOM 337 CG PRO A 43 -7.570 -6.083 39.206 1.00 17.26 C ATOM 338 CD PRO A 43 -8.609 -5.543 38.267 1.00 17.90 C ATOM 339 N THR A 44 -9.993 -9.464 40.483 1.00 16.79 N ATOM 340 CA THR A 44 -10.495 -9.896 41.778 1.00 19.74 C ATOM 341 C THR A 44 -9.355 -9.779 42.775 1.00 21.01 C ATOM 342 O THR A 44 -8.211 -9.562 42.384 1.00 18.01 O ATOM 343 CB THR A 44 -10.977 -11.360 41.743 1.00 17.65 C ATOM 344 OG1 THR A 44 -9.863 -12.241 41.510 1.00 15.33 O ATOM 345 CG2 THR A 44 -12.010 -11.558 40.647 1.00 18.39 C ATOM 346 N GLU A 45 -9.652 -9.923 44.058 1.00 15.78 N ATOM 347 CA AGLU A 45 -8.611 -9.855 45.076 0.59 19.11 C ATOM 348 CA BGLU A 45 -8.617 -9.865 45.083 0.41 19.13 C ATOM 349 C GLU A 45 -7.619 -11.011 44.914 1.00 19.32 C ATOM 350 O GLU A 45 -6.417 -10.832 45.105 1.00 19.20 O ATOM 351 CB AGLU A 45 -9.226 -9.843 46.479 0.59 17.88 C ATOM 352 CB BGLU A 45 -9.234 -9.886 46.484 0.41 17.98 C ATOM 353 CG AGLU A 45 -8.213 -9.777 47.612 0.59 27.74 C ATOM 354 CG BGLU A 45 -10.183 -8.729 46.774 0.41 19.98 C ATOM 355 CD AGLU A 45 -7.504 -8.436 47.705 0.59 26.75 C ATOM 356 CD BGLU A 45 -10.566 -8.649 48.242 0.41 28.40 C ATOM 357 OE1AGLU A 45 -8.066 -7.417 47.244 0.59 22.76 O ATOM 358 OE1BGLU A 45 -10.101 -9.505 49.019 0.41 30.55 O ATOM 359 OE2AGLU A 45 -6.379 -8.406 48.246 0.59 27.51 O ATOM 360 OE2BGLU A 45 -11.329 -7.733 48.623 0.41 27.56 O ATOM 361 N ALA A 46 -8.112 -12.197 44.550 1.00 14.22 N ATOM 362 CA ALA A 46 -7.205 -13.327 44.291 1.00 18.40 C ATOM 363 C ALA A 46 -6.226 -13.018 43.157 1.00 12.91 C ATOM 364 O ALA A 46 -5.038 -13.354 43.225 1.00 15.36 O ATOM 365 CB ALA A 46 -7.984 -14.600 43.979 1.00 18.11 C ATOM 366 N GLU A 47 -6.730 -12.395 42.103 1.00 14.55 N ATOM 367 CA GLU A 47 -5.881 -12.030 40.974 1.00 15.63 C ATOM 368 C GLU A 47 -4.841 -10.992 41.375 1.00 16.09 C ATOM 369 O GLU A 47 -3.680 -11.064 40.956 1.00 12.70 O ATOM 370 CB GLU A 47 -6.729 -11.545 39.797 1.00 15.79 C ATOM 371 CG GLU A 47 -7.529 -12.677 39.158 1.00 20.19 C ATOM 372 CD GLU A 47 -8.645 -12.190 38.241 1.00 28.75 C ATOM 373 OE1 GLU A 47 -8.954 -10.979 38.236 1.00 18.92 O ATOM 374 OE2 GLU A 47 -9.221 -13.034 37.534 1.00 24.88 O ATOM 375 N LEU A 48 -5.255 -10.032 42.194 1.00 14.62 N ATOM 376 CA LEU A 48 -4.340 -9.005 42.682 1.00 15.02 C ATOM 377 C LEU A 48 -3.240 -9.605 43.540 1.00 13.58 C ATOM 378 O LEU A 48 -2.077 -9.204 43.448 1.00 13.79 O ATOM 379 CB LEU A 48 -5.101 -7.920 43.454 1.00 14.98 C ATOM 380 CG LEU A 48 -5.969 -7.039 42.550 1.00 12.47 C ATOM 381 CD1 LEU A 48 -6.944 -6.226 43.377 1.00 17.23 C ATOM 382 CD2 LEU A 48 -5.092 -6.147 41.662 1.00 10.80 C ATOM 383 N GLN A 49 -3.608 -10.578 44.370 1.00 12.87 N ATOM 384 CA GLN A 49 -2.647 -11.235 45.252 1.00 12.06 C ATOM 385 C GLN A 49 -1.608 -12.022 44.453 1.00 12.47 C ATOM 386 O GLN A 49 -0.451 -12.077 44.848 1.00 12.69 O ATOM 387 CB GLN A 49 -3.357 -12.151 46.257 1.00 13.05 C ATOM 388 CG GLN A 49 -2.473 -12.609 47.402 1.00 26.81 C ATOM 389 CD GLN A 49 -1.927 -11.433 48.188 1.00 36.09 C ATOM 390 OE1 GLN A 49 -2.689 -10.635 48.742 1.00 33.62 O ATOM 391 NE2 GLN A 49 -0.606 -11.301 48.218 1.00 24.33 N ATOM 392 N ASP A 50 -2.018 -12.607 43.328 1.00 12.33 N ATOM 393 CA ASP A 50 -1.096 -13.339 42.459 1.00 16.02 C ATOM 394 C ASP A 50 -0.075 -12.379 41.835 1.00 13.62 C ATOM 395 O ASP A 50 1.108 -12.714 41.683 1.00 13.26 O ATOM 396 CB ASP A 50 -1.861 -14.064 41.344 1.00 15.49 C ATOM 397 CG ASP A 50 -2.560 -15.325 41.828 1.00 17.36 C ATOM 398 OD1 ASP A 50 -2.177 -15.869 42.883 1.00 24.21 O ATOM 399 OD2 ASP A 50 -3.484 -15.782 41.132 1.00 25.92 O ATOM 400 N MET A 51 -0.554 -11.197 41.456 1.00 12.55 N ATOM 401 CA MET A 51 0.302 -10.152 40.889 1.00 20.05 C ATOM 402 C MET A 51 1.314 -9.632 41.912 1.00 12.40 C ATOM 403 O MET A 51 2.515 -9.523 41.626 1.00 16.99 O ATOM 404 CB MET A 51 -0.550 -9.002 40.334 1.00 12.34 C ATOM 405 CG MET A 51 -1.499 -9.414 39.207 1.00 18.03 C ATOM 406 SD MET A 51 -2.464 -8.002 38.631 1.00 27.41 S ATOM 407 CE MET A 51 -3.669 -8.780 37.553 1.00 29.00 C ATOM 408 N ILE A 52 0.844 -9.321 43.113 1.00 8.63 N ATOM 409 CA ILE A 52 1.752 -8.946 44.189 1.00 11.86 C ATOM 410 C ILE A 52 2.739 -10.071 44.518 1.00 16.45 C ATOM 411 O ILE A 52 3.950 -9.845 44.618 1.00 14.76 O ATOM 412 CB ILE A 52 0.978 -8.547 45.467 1.00 14.80 C ATOM 413 CG1 ILE A 52 0.102 -7.325 45.202 1.00 12.95 C ATOM 414 CG2 ILE A 52 1.936 -8.277 46.617 1.00 15.86 C ATOM 415 CD1 ILE A 52 0.885 -5.999 45.043 1.00 15.20 C ATOM 416 N ASN A 53 2.230 -11.289 44.668 1.00 12.08 N ATOM 417 CA ASN A 53 3.085 -12.419 45.017 1.00 16.19 C ATOM 418 C ASN A 53 4.260 -12.645 44.076 1.00 11.23 C ATOM 419 O ASN A 53 5.361 -12.970 44.513 1.00 18.64 O ATOM 420 CB ASN A 53 2.274 -13.710 45.137 1.00 15.91 C ATOM 421 CG ASN A 53 1.492 -13.786 46.430 1.00 15.88 C ATOM 422 OD1 ASN A 53 1.646 -12.946 47.309 1.00 19.98 O ATOM 423 ND2 ASN A 53 0.654 -14.807 46.553 1.00 17.43 N ATOM 424 N GLU A 54 4.049 -12.484 42.782 1.00 12.87 N ATOM 425 CA GLU A 54 5.152 -12.737 41.855 1.00 19.72 C ATOM 426 C GLU A 54 6.249 -11.666 41.856 1.00 21.40 C ATOM 427 O GLU A 54 7.362 -11.927 41.410 1.00 21.53 O ATOM 428 CB GLU A 54 4.649 -13.028 40.438 1.00 26.73 C ATOM 429 CG GLU A 54 3.973 -11.890 39.751 1.00 24.34 C ATOM 430 CD GLU A 54 3.527 -12.271 38.347 1.00 48.63 C ATOM 431 OE1 GLU A 54 4.401 -12.418 37.463 1.00 40.28 O ATOM 432 OE2 GLU A 54 2.305 -12.442 38.137 1.00 45.45 O ATOM 433 N VAL A 55 5.932 -10.484 42.384 1.00 13.46 N ATOM 434 CA VAL A 55 6.892 -9.380 42.527 1.00 14.31 C ATOM 435 C VAL A 55 7.500 -9.355 43.927 1.00 17.30 C ATOM 436 O VAL A 55 8.592 -8.829 44.127 1.00 16.07 O ATOM 437 CB VAL A 55 6.202 -8.005 42.298 1.00 14.32 C ATOM 438 CG1 VAL A 55 7.217 -6.861 42.333 1.00 18.27 C ATOM 439 CG2 VAL A 55 5.443 -7.995 40.993 1.00 24.43 C ATOM 440 N ASP A 56 6.779 -9.923 44.895 1.00 13.91 N ATOM 441 CA ASP A 56 7.121 -9.805 46.319 1.00 19.24 C ATOM 442 C ASP A 56 8.238 -10.754 46.744 1.00 17.93 C ATOM 443 O ASP A 56 7.989 -11.770 47.395 1.00 17.01 O ATOM 444 CB ASP A 56 5.861 -10.044 47.160 1.00 14.02 C ATOM 445 CG ASP A 56 6.111 -9.938 48.652 1.00 19.42 C ATOM 446 OD1 ASP A 56 7.104 -9.305 49.055 1.00 19.28 O ATOM 447 OD2 ASP A 56 5.311 -10.511 49.427 1.00 16.41 O ATOM 448 N ALA A 57 9.473 -10.396 46.402 1.00 16.74 N ATOM 449 CA ALA A 57 10.618 -11.284 46.595 1.00 22.06 C ATOM 450 C ALA A 57 10.854 -11.732 48.046 1.00 23.22 C ATOM 451 O ALA A 57 11.317 -12.848 48.278 1.00 27.07 O ATOM 452 CB ALA A 57 11.886 -10.659 46.012 1.00 18.59 C ATOM 453 N ASP A 58 10.537 -10.883 49.021 1.00 22.01 N ATOM 454 CA ASP A 58 10.785 -11.246 50.419 1.00 24.23 C ATOM 455 C ASP A 58 9.540 -11.775 51.140 1.00 21.87 C ATOM 456 O ASP A 58 9.582 -12.064 52.332 1.00 25.34 O ATOM 457 CB ASP A 58 11.420 -10.083 51.202 1.00 25.73 C ATOM 458 CG ASP A 58 10.466 -8.920 51.412 1.00 24.86 C ATOM 459 OD1 ASP A 58 9.255 -9.081 51.155 1.00 19.77 O ATOM 460 OD2 ASP A 58 10.928 -7.841 51.846 1.00 27.69 O ATOM 461 N GLY A 59 8.433 -11.875 50.412 1.00 23.97 N ATOM 462 CA GLY A 59 7.209 -12.457 50.933 1.00 22.87 C ATOM 463 C GLY A 59 6.558 -11.774 52.126 1.00 27.41 C ATOM 464 O GLY A 59 5.838 -12.419 52.888 1.00 21.18 O ATOM 465 N ASN A 60 6.780 -10.475 52.299 1.00 18.83 N ATOM 466 CA ASN A 60 6.151 -9.784 53.422 1.00 14.75 C ATOM 467 C ASN A 60 4.767 -9.234 53.085 1.00 16.44 C ATOM 468 O ASN A 60 4.132 -8.585 53.914 1.00 24.65 O ATOM 469 CB ASN A 60 7.062 -8.688 53.993 1.00 27.66 C ATOM 470 CG ASN A 60 7.138 -7.459 53.097 1.00 20.70 C ATOM 471 OD1 ASN A 60 6.841 -7.530 51.904 1.00 14.25 O ATOM 472 ND2 ASN A 60 7.538 -6.326 53.672 1.00 19.78 N ATOM 473 N GLY A 61 4.308 -9.481 51.861 1.00 18.05 N ATOM 474 CA GLY A 61 2.951 -9.134 51.478 1.00 21.53 C ATOM 475 C GLY A 61 2.774 -7.827 50.718 1.00 17.04 C ATOM 476 O GLY A 61 1.713 -7.578 50.156 1.00 12.38 O ATOM 477 N THR A 62 3.804 -6.990 50.699 1.00 13.56 N ATOM 478 CA THR A 62 3.731 -5.733 49.958 1.00 14.58 C ATOM 479 C THR A 62 4.979 -5.565 49.089 1.00 13.42 C ATOM 480 O THR A 62 5.970 -6.271 49.285 1.00 13.65 O ATOM 481 CB THR A 62 3.643 -4.519 50.894 1.00 14.85 C ATOM 482 OG1 THR A 62 4.814 -4.470 51.712 1.00 14.21 O ATOM 483 CG2 THR A 62 2.382 -4.561 51.778 1.00 15.30 C ATOM 484 N ILE A 63 4.919 -4.627 48.147 1.00 10.70 N ATOM 485 CA AILE A 63 6.027 -4.368 47.230 0.39 9.86 C ATOM 486 CA BILE A 63 6.028 -4.372 47.227 0.61 9.82 C ATOM 487 C ILE A 63 6.764 -3.087 47.612 1.00 14.17 C ATOM 488 O ILE A 63 6.169 -2.000 47.645 1.00 13.04 O ATOM 489 CB AILE A 63 5.537 -4.240 45.775 0.39 9.72 C ATOM 490 CB BILE A 63 5.537 -4.267 45.767 0.61 9.69 C ATOM 491 CG1AILE A 63 4.725 -5.474 45.372 0.39 11.17 C ATOM 492 CG1BILE A 63 4.714 -5.505 45.381 0.61 11.16 C ATOM 493 CG2AILE A 63 6.713 -4.032 44.826 0.39 11.39 C ATOM 494 CG2BILE A 63 6.713 -4.069 44.812 0.61 11.39 C ATOM 495 CD1AILE A 63 4.276 -5.462 43.929 0.39 10.30 C ATOM 496 CD1BILE A 63 5.494 -6.816 45.425 0.61 8.92 C ATOM 497 N ASP A 64 8.054 -3.218 47.916 1.00 12.92 N ATOM 498 CA ASP A 64 8.905 -2.064 48.195 1.00 12.59 C ATOM 499 C ASP A 64 9.626 -1.626 46.913 1.00 12.47 C ATOM 500 O ASP A 64 9.507 -2.277 45.881 1.00 12.05 O ATOM 501 CB ASP A 64 9.889 -2.349 49.344 1.00 13.16 C ATOM 502 CG ASP A 64 10.829 -3.521 49.066 1.00 19.35 C ATOM 503 OD1 ASP A 64 11.215 -3.778 47.901 1.00 18.33 O ATOM 504 OD2 ASP A 64 11.209 -4.191 50.046 1.00 21.46 O ATOM 505 N PHE A 65 10.332 -0.506 46.971 1.00 12.02 N ATOM 506 CA PHE A 65 10.961 0.051 45.775 1.00 10.72 C ATOM 507 C PHE A 65 11.949 -0.906 45.105 1.00 8.18 C ATOM 508 O PHE A 65 11.886 -1.102 43.891 1.00 11.62 O ATOM 509 CB PHE A 65 11.629 1.397 46.087 1.00 12.55 C ATOM 510 CG PHE A 65 12.325 2.012 44.906 1.00 13.60 C ATOM 511 CD1 PHE A 65 11.594 2.616 43.900 1.00 13.04 C ATOM 512 CD2 PHE A 65 13.708 1.991 44.806 1.00 17.97 C ATOM 513 CE1 PHE A 65 12.233 3.180 42.804 1.00 18.63 C ATOM 514 CE2 PHE A 65 14.350 2.556 43.709 1.00 17.08 C ATOM 515 CZ PHE A 65 13.606 3.150 42.712 1.00 20.67 C ATOM 516 N PRO A 66 12.877 -1.496 45.884 1.00 11.22 N ATOM 517 CA PRO A 66 13.822 -2.438 45.261 1.00 16.75 C ATOM 518 C PRO A 66 13.097 -3.570 44.536 1.00 15.21 C ATOM 519 O PRO A 66 13.485 -3.909 43.425 1.00 11.90 O ATOM 520 CB PRO A 66 14.619 -2.987 46.450 1.00 11.16 C ATOM 521 CG PRO A 66 14.487 -1.947 47.520 1.00 14.70 C ATOM 522 CD PRO A 66 13.138 -1.315 47.326 1.00 21.35 C ATOM 523 N GLU A 67 12.063 -4.149 45.149 1.00 12.64 N ATOM 524 CA GLU A 67 11.277 -5.196 44.481 1.00 10.62 C ATOM 525 C GLU A 67 10.624 -4.664 43.199 1.00 11.62 C ATOM 526 O GLU A 67 10.613 -5.331 42.155 1.00 12.51 O ATOM 527 CB GLU A 67 10.207 -5.766 45.431 1.00 10.40 C ATOM 528 CG GLU A 67 10.781 -6.676 46.510 1.00 13.22 C ATOM 529 CD GLU A 67 9.801 -6.983 47.631 1.00 16.92 C ATOM 530 OE1 GLU A 67 8.764 -6.293 47.745 1.00 12.92 O ATOM 531 OE2 GLU A 67 10.077 -7.911 48.415 1.00 16.02 O ATOM 532 N PHE A 68 10.078 -3.461 43.291 1.00 7.95 N ATOM 533 CA PHE A 68 9.392 -2.840 42.170 1.00 11.07 C ATOM 534 C PHE A 68 10.354 -2.571 41.014 1.00 13.32 C ATOM 535 O PHE A 68 10.074 -2.933 39.870 1.00 10.72 O ATOM 536 CB PHE A 68 8.728 -1.535 42.612 1.00 9.18 C ATOM 537 CG PHE A 68 8.037 -0.796 41.497 1.00 11.69 C ATOM 538 CD1 PHE A 68 6.713 -1.060 41.203 1.00 8.51 C ATOM 539 CD2 PHE A 68 8.707 0.179 40.762 1.00 12.71 C ATOM 540 CE1 PHE A 68 6.064 -0.377 40.175 1.00 13.28 C ATOM 541 CE2 PHE A 68 8.065 0.868 39.741 1.00 15.29 C ATOM 542 CZ PHE A 68 6.740 0.579 39.443 1.00 16.00 C ATOM 543 N LEU A 69 11.475 -1.926 41.318 1.00 11.52 N ATOM 544 CA LEU A 69 12.470 -1.593 40.303 1.00 12.60 C ATOM 545 C LEU A 69 13.043 -2.848 39.648 1.00 15.96 C ATOM 546 O LEU A 69 13.236 -2.883 38.433 1.00 14.99 O ATOM 547 CB LEU A 69 13.596 -0.747 40.906 1.00 13.08 C ATOM 548 CG LEU A 69 14.713 -0.226 39.992 1.00 15.39 C ATOM 549 CD1 LEU A 69 15.415 0.954 40.640 1.00 16.29 C ATOM 550 CD2 LEU A 69 15.727 -1.328 39.623 1.00 13.19 C ATOM 551 N THR A 70 13.294 -3.880 40.450 1.00 14.97 N ATOM 552 CA ATHR A 70 13.853 -5.132 39.945 0.92 17.18 C ATOM 553 CA BTHR A 70 13.866 -5.116 39.928 0.08 17.01 C ATOM 554 C THR A 70 12.921 -5.796 38.940 1.00 19.28 C ATOM 555 O THR A 70 13.357 -6.303 37.898 1.00 17.54 O ATOM 556 CB ATHR A 70 14.160 -6.120 41.088 0.92 11.59 C ATOM 557 CB BTHR A 70 14.261 -6.099 41.055 0.08 12.06 C ATOM 558 OG1ATHR A 70 15.210 -5.584 41.890 0.92 14.16 O ATOM 559 OG1BTHR A 70 14.879 -7.259 40.485 0.08 18.26 O ATOM 560 CG2ATHR A 70 14.599 -7.469 40.523 0.92 18.69 C ATOM 561 CG2BTHR A 70 13.046 -6.521 41.856 0.08 14.93 C ATOM 562 N MET A 71 11.629 -5.798 39.249 1.00 14.58 N ATOM 563 CA AMET A 71 10.636 -6.380 38.347 0.64 18.45 C ATOM 564 CA BMET A 71 10.649 -6.379 38.338 0.36 18.48 C ATOM 565 C MET A 71 10.446 -5.529 37.085 1.00 15.78 C ATOM 566 O MET A 71 10.428 -6.055 35.972 1.00 19.27 O ATOM 567 CB AMET A 71 9.304 -6.562 39.076 0.64 21.15 C ATOM 568 CB BMET A 71 9.298 -6.593 39.016 0.36 21.17 C ATOM 569 CG AMET A 71 8.246 -7.284 38.267 0.64 25.76 C ATOM 570 CG BMET A 71 8.257 -7.153 38.054 0.36 25.69 C ATOM 571 SD AMET A 71 8.712 -8.961 37.806 0.64 39.45 S ATOM 572 SD BMET A 71 6.564 -7.024 38.652 0.36 49.30 S ATOM 573 CE AMET A 71 9.076 -9.686 39.406 0.64 30.55 C ATOM 574 CE BMET A 71 6.386 -5.249 38.842 0.36 25.80 C ATOM 575 N MET A 72 10.294 -4.218 37.274 1.00 16.36 N ATOM 576 CA AMET A 72 10.093 -3.291 36.158 0.68 18.26 C ATOM 577 CA BMET A 72 10.103 -3.283 36.167 0.32 18.28 C ATOM 578 C MET A 72 11.263 -3.291 35.174 1.00 20.67 C ATOM 579 O MET A 72 11.054 -3.266 33.966 1.00 17.43 O ATOM 580 CB AMET A 72 9.818 -1.870 36.659 0.68 17.97 C ATOM 581 CB BMET A 72 9.876 -1.867 36.699 0.32 17.96 C ATOM 582 CG AMET A 72 9.592 -0.848 35.548 0.68 24.72 C ATOM 583 CG BMET A 72 8.522 -1.679 37.357 0.32 16.40 C ATOM 584 SD AMET A 72 8.767 0.660 36.115 0.68 25.55 S ATOM 585 SD BMET A 72 7.183 -2.034 36.206 0.32 23.91 S ATOM 586 CE AMET A 72 9.040 1.761 34.729 0.68 24.95 C ATOM 587 CE BMET A 72 7.416 -0.722 35.010 0.32 20.52 C ATOM 588 N ALA A 73 12.490 -3.323 35.688 1.00 12.96 N ATOM 589 CA ALA A 73 13.657 -3.371 34.813 1.00 18.20 C ATOM 590 C ALA A 73 13.695 -4.670 33.995 1.00 23.69 C ATOM 591 O ALA A 73 14.030 -4.654 32.811 1.00 14.31 O ATOM 592 CB ALA A 73 14.942 -3.191 35.597 1.00 14.48 C ATOM 593 N ARG A 74 13.363 -5.794 34.622 1.00 14.87 N ATOM 594 CA ARG A 74 13.285 -7.065 33.889 1.00 19.54 C ATOM 595 C ARG A 74 12.199 -7.051 32.806 1.00 19.73 C ATOM 596 O ARG A 74 12.418 -7.533 31.691 1.00 25.54 O ATOM 597 CB ARG A 74 13.080 -8.232 34.856 1.00 21.81 C ATOM 598 CG ARG A 74 14.245 -8.411 35.832 1.00 39.37 C ATOM 599 CD ARG A 74 13.982 -9.495 36.871 1.00 36.37 C ATOM 600 NE ARG A 74 13.514 -10.734 36.262 1.00 38.59 N ATOM 601 CZ ARG A 74 12.310 -11.252 36.468 1.00 44.23 C ATOM 602 NH1 ARG A 74 11.459 -10.631 37.278 1.00 42.32 N ATOM 603 NH2 ARG A 74 11.962 -12.387 35.869 1.00 35.31 N ATOM 604 N LYS A 75 11.027 -6.511 33.134 1.00 17.10 N ATOM 605 CA LYS A 75 9.940 -6.374 32.169 1.00 21.69 C ATOM 606 C LYS A 75 10.328 -5.461 31.017 1.00 21.29 C ATOM 607 O LYS A 75 9.954 -5.718 29.879 1.00 21.09 O ATOM 608 CB LYS A 75 8.681 -5.812 32.827 1.00 29.50 C ATOM 609 CG LYS A 75 8.026 -6.722 33.845 1.00 40.20 C ATOM 610 CD LYS A 75 6.847 -6.012 34.509 1.00 47.47 C ATOM 611 CE LYS A 75 5.674 -5.835 33.554 1.00 58.52 C ATOM 612 NZ LYS A 75 5.049 -7.138 33.173 1.00 65.84 N ATOM 613 N MET A 76 11.043 -4.376 31.319 1.00 19.62 N ATOM 614 CA MET A 76 11.499 -3.445 30.283 1.00 20.37 C ATOM 615 C MET A 76 12.449 -4.145 29.314 1.00 17.09 C ATOM 616 O MET A 76 12.396 -3.917 28.099 1.00 20.19 O ATOM 617 CB MET A 76 12.173 -2.205 30.888 1.00 17.49 C ATOM 618 CG MET A 76 11.201 -1.134 31.384 1.00 35.13 C ATOM 619 SD MET A 76 11.997 0.149 32.396 1.00 46.31 S ATOM 620 CE MET A 76 13.518 0.438 31.478 1.00 29.09 C ATOM 621 N LYS A 77 13.316 -4.998 29.844 1.00 11.49 N ATOM 622 CA LYS A 77 14.246 -5.720 28.983 1.00 18.94 C ATOM 623 C LYS A 77 13.513 -6.714 28.075 1.00 19.58 C ATOM 624 O LYS A 77 13.859 -6.855 26.898 1.00 13.97 O ATOM 625 CB LYS A 77 15.326 -6.422 29.803 1.00 26.52 C ATOM 626 CG LYS A 77 16.330 -5.469 30.442 1.00 28.20 C ATOM 627 CD LYS A 77 17.273 -6.216 31.381 1.00 36.92 C ATOM 628 CE LYS A 77 18.004 -5.257 32.308 1.00 42.36 C ATOM 629 NZ LYS A 77 18.686 -5.985 33.419 1.00 56.96 N ATOM 630 N ASP A 78 12.510 -7.402 28.623 1.00 25.39 N ATOM 631 CA ASP A 78 11.679 -8.313 27.831 1.00 22.92 C ATOM 632 C ASP A 78 10.916 -7.588 26.729 1.00 18.44 C ATOM 633 O ASP A 78 10.794 -8.087 25.608 1.00 17.30 O ATOM 634 CB ASP A 78 10.682 -9.054 28.718 1.00 24.63 C ATOM 635 CG ASP A 78 11.355 -9.998 29.684 1.00 35.93 C ATOM 636 OD1 ASP A 78 12.562 -10.276 29.513 1.00 42.60 O ATOM 637 OD2 ASP A 78 10.669 -10.463 30.614 1.00 41.16 O ATOM 638 N THR A 79 10.380 -6.421 27.066 1.00 16.38 N ATOM 639 CA THR A 79 9.625 -5.597 26.125 1.00 17.83 C ATOM 640 C THR A 79 10.498 -5.042 24.992 1.00 17.70 C ATOM 641 O THR A 79 10.074 -4.998 23.836 1.00 15.98 O ATOM 642 CB THR A 79 8.921 -4.431 26.854 1.00 23.23 C ATOM 643 OG1 THR A 79 7.847 -4.954 27.649 1.00 28.31 O ATOM 644 CG2 THR A 79 8.355 -3.439 25.843 1.00 26.59 C ATOM 645 N ASP A 80 11.711 -4.627 25.342 1.00 14.75 N ATOM 646 CA ASP A 80 12.717 -4.178 24.376 1.00 17.65 C ATOM 647 C ASP A 80 13.077 -5.336 23.436 1.00 15.41 C ATOM 648 O ASP A 80 13.092 -5.179 22.215 1.00 14.42 O ATOM 649 CB ASP A 80 13.964 -3.678 25.127 1.00 19.85 C ATOM 650 CG ASP A 80 15.043 -3.112 24.198 1.00 35.60 C ATOM 651 OD1 ASP A 80 15.345 -3.726 23.152 1.00 34.04 O ATOM 652 OD2 ASP A 80 15.603 -2.042 24.524 1.00 48.43 O ATOM 653 N SER A 81 13.350 -6.498 24.017 1.00 14.59 N ATOM 654 CA SER A 81 13.738 -7.676 23.241 1.00 15.59 C ATOM 655 C SER A 81 12.633 -8.117 22.271 1.00 18.31 C ATOM 656 O SER A 81 12.891 -8.373 21.093 1.00 18.28 O ATOM 657 CB SER A 81 14.120 -8.824 24.179 1.00 18.24 C ATOM 658 OG SER A 81 14.608 -9.938 23.453 1.00 27.04 O ATOM 659 N GLU A 82 11.406 -8.190 22.778 1.00 13.17 N ATOM 660 CA GLU A 82 10.225 -8.505 21.976 1.00 21.80 C ATOM 661 C GLU A 82 9.987 -7.528 20.818 1.00 16.58 C ATOM 662 O GLU A 82 9.604 -7.937 19.723 1.00 14.11 O ATOM 663 CB GLU A 82 8.987 -8.539 22.877 1.00 23.41 C ATOM 664 CG GLU A 82 7.651 -8.561 22.133 1.00 35.43 C ATOM 665 CD GLU A 82 7.100 -9.970 21.963 1.00 46.71 C ATOM 666 OE1 GLU A 82 7.774 -10.927 22.399 1.00 49.58 O ATOM 667 OE2 GLU A 82 5.994 -10.122 21.396 1.00 38.66 O ATOM 668 N GLU A 83 10.196 -6.242 21.075 1.00 13.38 N ATOM 669 CA GLU A 83 10.079 -5.205 20.052 1.00 17.43 C ATOM 670 C GLU A 83 11.129 -5.382 18.954 1.00 12.32 C ATOM 671 O GLU A 83 10.856 -5.126 17.784 1.00 11.35 O ATOM 672 CB GLU A 83 10.196 -3.814 20.686 1.00 23.74 C ATOM 673 CG GLU A 83 10.292 -2.658 19.694 1.00 27.92 C ATOM 674 CD GLU A 83 9.082 -2.552 18.767 1.00 43.51 C ATOM 675 OE1 GLU A 83 7.964 -2.949 19.175 1.00 32.00 O ATOM 676 OE2 GLU A 83 9.254 -2.069 17.624 1.00 29.37 O ATOM 677 N GLU A 84 12.327 -5.823 19.325 1.00 14.14 N ATOM 678 CA GLU A 84 13.358 -6.094 18.317 1.00 17.13 C ATOM 679 C GLU A 84 12.941 -7.273 17.425 1.00 13.85 C ATOM 680 O GLU A 84 13.201 -7.279 16.219 1.00 11.76 O ATOM 681 CB GLU A 84 14.725 -6.347 18.965 1.00 14.67 C ATOM 682 CG GLU A 84 15.352 -5.116 19.597 1.00 20.59 C ATOM 683 CD GLU A 84 15.595 -4.021 18.581 1.00 42.29 C ATOM 684 OE1 GLU A 84 16.192 -4.318 17.526 1.00 47.84 O ATOM 685 OE2 GLU A 84 15.168 -2.872 18.823 1.00 47.31 O ATOM 686 N ILE A 85 12.281 -8.262 18.023 1.00 14.29 N ATOM 687 CA ILE A 85 11.794 -9.429 17.279 1.00 12.82 C ATOM 688 C ILE A 85 10.625 -9.060 16.362 1.00 13.58 C ATOM 689 O ILE A 85 10.532 -9.533 15.219 1.00 10.95 O ATOM 690 CB ILE A 85 11.355 -10.554 18.242 1.00 11.17 C ATOM 691 CG1 ILE A 85 12.574 -11.103 18.999 1.00 15.13 C ATOM 692 CG2 ILE A 85 10.636 -11.675 17.480 1.00 14.33 C ATOM 693 CD1 ILE A 85 12.226 -12.049 20.134 1.00 14.05 C ATOM 694 N ARG A 86 9.721 -8.238 16.880 1.00 10.34 N ATOM 695 CA ARG A 86 8.588 -7.730 16.102 1.00 8.47 C ATOM 696 C ARG A 86 9.058 -6.903 14.906 1.00 11.13 C ATOM 697 O ARG A 86 8.466 -6.986 13.835 1.00 10.56 O ATOM 698 CB ARG A 86 7.655 -6.878 16.976 1.00 12.84 C ATOM 699 CG ARG A 86 6.848 -7.697 17.954 1.00 15.91 C ATOM 700 CD ARG A 86 5.569 -7.021 18.426 1.00 12.85 C ATOM 701 NE ARG A 86 4.969 -7.856 19.453 1.00 23.07 N ATOM 702 CZ ARG A 86 3.682 -7.866 19.789 1.00 24.51 C ATOM 703 NH1 ARG A 86 2.812 -7.080 19.174 1.00 21.43 N ATOM 704 NH2 ARG A 86 3.269 -8.685 20.744 1.00 19.87 N ATOM 705 N GLU A 87 10.102 -6.094 15.093 1.00 10.05 N ATOM 706 CA GLU A 87 10.636 -5.283 14.001 1.00 14.72 C ATOM 707 C GLU A 87 11.198 -6.176 12.889 1.00 15.20 C ATOM 708 O GLU A 87 10.909 -5.950 11.715 1.00 9.65 O ATOM 709 CB GLU A 87 11.683 -4.265 14.480 1.00 12.73 C ATOM 710 CG GLU A 87 11.078 -3.161 15.358 1.00 24.79 C ATOM 711 CD GLU A 87 12.071 -2.091 15.790 1.00 28.85 C ATOM 712 OE1 GLU A 87 13.225 -2.095 15.306 1.00 25.09 O ATOM 713 OE2 GLU A 87 11.679 -1.237 16.619 1.00 28.14 O ATOM 714 N ALA A 88 11.978 -7.187 13.269 1.00 12.54 N ATOM 715 CA ALA A 88 12.502 -8.172 12.312 1.00 13.13 C ATOM 716 C ALA A 88 11.375 -8.870 11.555 1.00 12.66 C ATOM 717 O ALA A 88 11.466 -9.075 10.344 1.00 9.86 O ATOM 718 CB ALA A 88 13.367 -9.206 13.023 1.00 9.70 C ATOM 719 N PHE A 89 10.321 -9.248 12.275 1.00 13.06 N ATOM 720 CA PHE A 89 9.172 -9.896 11.652 1.00 11.97 C ATOM 721 C PHE A 89 8.507 -9.007 10.601 1.00 13.39 C ATOM 722 O PHE A 89 8.206 -9.475 9.501 1.00 11.50 O ATOM 723 CB PHE A 89 8.137 -10.374 12.682 1.00 12.31 C ATOM 724 CG PHE A 89 7.010 -11.180 12.068 1.00 14.88 C ATOM 725 CD1 PHE A 89 7.103 -12.561 11.959 1.00 12.63 C ATOM 726 CD2 PHE A 89 5.884 -10.547 11.553 1.00 15.48 C ATOM 727 CE1 PHE A 89 6.077 -13.304 11.379 1.00 11.03 C ATOM 728 CE2 PHE A 89 4.865 -11.275 10.970 1.00 15.26 C ATOM 729 CZ PHE A 89 4.953 -12.651 10.883 1.00 12.63 C ATOM 730 N ARG A 90 8.281 -7.735 10.927 1.00 9.69 N ATOM 731 CA ARG A 90 7.708 -6.795 9.958 1.00 18.71 C ATOM 732 C ARG A 90 8.595 -6.632 8.731 1.00 13.67 C ATOM 733 O ARG A 90 8.104 -6.469 7.615 1.00 11.35 O ATOM 734 CB ARG A 90 7.472 -5.418 10.588 1.00 13.23 C ATOM 735 CG ARG A 90 6.264 -5.362 11.525 1.00 16.73 C ATOM 736 CD ARG A 90 5.896 -3.915 11.864 1.00 16.99 C ATOM 737 NE ARG A 90 6.920 -3.242 12.657 1.00 16.61 N ATOM 738 CZ ARG A 90 6.974 -3.259 13.989 1.00 17.63 C ATOM 739 NH1 ARG A 90 6.067 -3.930 14.686 1.00 17.52 N ATOM 740 NH2 ARG A 90 7.942 -2.620 14.624 1.00 16.32 N ATOM 741 N VAL A 91 9.908 -6.647 8.936 1.00 11.54 N ATOM 742 CA VAL A 91 10.829 -6.537 7.810 1.00 14.59 C ATOM 743 C VAL A 91 10.739 -7.783 6.927 1.00 14.94 C ATOM 744 O VAL A 91 10.632 -7.680 5.694 1.00 11.57 O ATOM 745 CB VAL A 91 12.278 -6.269 8.274 1.00 10.55 C ATOM 746 CG1 VAL A 91 13.275 -6.562 7.153 1.00 20.39 C ATOM 747 CG2 VAL A 91 12.410 -4.826 8.741 1.00 13.98 C ATOM 748 N PHE A 92 10.733 -8.956 7.553 1.00 9.36 N ATOM 749 CA PHE A 92 10.644 -10.201 6.791 1.00 14.93 C ATOM 750 C PHE A 92 9.293 -10.377 6.089 1.00 16.47 C ATOM 751 O PHE A 92 9.225 -10.929 4.987 1.00 11.83 O ATOM 752 CB PHE A 92 10.966 -11.412 7.682 1.00 10.48 C ATOM 753 CG PHE A 92 12.352 -11.377 8.280 1.00 13.42 C ATOM 754 CD1 PHE A 92 13.344 -10.572 7.735 1.00 11.36 C ATOM 755 CD2 PHE A 92 12.661 -12.158 9.377 1.00 14.59 C ATOM 756 CE1 PHE A 92 14.613 -10.535 8.285 1.00 14.65 C ATOM 757 CE2 PHE A 92 13.923 -12.138 9.934 1.00 12.15 C ATOM 758 CZ PHE A 92 14.910 -11.325 9.391 1.00 16.74 C ATOM 759 N ASP A 93 8.226 -9.904 6.727 1.00 11.01 N ATOM 760 CA ASP A 93 6.875 -10.041 6.191 1.00 14.13 C ATOM 761 C ASP A 93 6.615 -8.907 5.184 1.00 16.17 C ATOM 762 O ASP A 93 5.960 -7.913 5.493 1.00 14.02 O ATOM 763 CB ASP A 93 5.852 -10.030 7.330 1.00 13.88 C ATOM 764 CG ASP A 93 4.411 -9.990 6.832 1.00 19.46 C ATOM 765 OD1 ASP A 93 4.167 -10.352 5.664 1.00 17.71 O ATOM 766 OD2 ASP A 93 3.522 -9.587 7.606 1.00 16.93 O ATOM 767 N LYS A 94 7.133 -9.074 3.972 1.00 15.87 N ATOM 768 CA LYS A 94 7.218 -7.956 3.029 1.00 18.37 C ATOM 769 C LYS A 94 5.865 -7.347 2.635 1.00 16.30 C ATOM 770 O LYS A 94 5.748 -6.124 2.484 1.00 17.15 O ATOM 771 CB LYS A 94 8.056 -8.343 1.802 1.00 22.74 C ATOM 772 CG LYS A 94 7.389 -9.305 0.853 1.00 41.10 C ATOM 773 CD LYS A 94 8.304 -9.649 -0.323 1.00 63.31 C ATOM 774 CE LYS A 94 7.545 -10.410 -1.406 1.00 46.24 C ATOM 775 NZ LYS A 94 8.318 -11.564 -1.935 1.00 37.79 N ATOM 776 N ASP A 95 4.840 -8.182 2.481 1.00 18.97 N ATOM 777 CA ASP A 95 3.522 -7.681 2.095 1.00 18.12 C ATOM 778 C ASP A 95 2.665 -7.279 3.304 1.00 25.11 C ATOM 779 O ASP A 95 1.525 -6.841 3.151 1.00 22.75 O ATOM 780 CB ASP A 95 2.786 -8.658 1.157 1.00 18.98 C ATOM 781 CG ASP A 95 2.371 -9.950 1.841 1.00 23.68 C ATOM 782 OD1 ASP A 95 2.459 -10.050 3.089 1.00 16.39 O ATOM 783 OD2 ASP A 95 1.933 -10.868 1.114 1.00 21.18 O ATOM 784 N GLY A 96 3.228 -7.414 4.504 1.00 19.74 N ATOM 785 CA GLY A 96 2.577 -6.937 5.719 1.00 16.64 C ATOM 786 C GLY A 96 1.325 -7.682 6.154 1.00 23.74 C ATOM 787 O GLY A 96 0.556 -7.194 6.994 1.00 21.85 O ATOM 788 N ASN A 97 1.115 -8.872 5.606 1.00 19.54 N ATOM 789 CA ASN A 97 -0.119 -9.605 5.884 1.00 20.56 C ATOM 790 C ASN A 97 -0.109 -10.477 7.150 1.00 20.38 C ATOM 791 O ASN A 97 -1.109 -11.133 7.459 1.00 19.25 O ATOM 792 CB ASN A 97 -0.570 -10.413 4.661 1.00 18.53 C ATOM 793 CG ASN A 97 0.202 -11.712 4.493 1.00 20.00 C ATOM 794 OD1 ASN A 97 1.332 -11.853 4.967 1.00 18.46 O ATOM 795 ND2 ASN A 97 -0.403 -12.661 3.805 1.00 20.26 N ATOM 796 N GLY A 98 1.011 -10.483 7.874 1.00 16.08 N ATOM 797 CA GLY A 98 1.071 -11.151 9.170 1.00 20.33 C ATOM 798 C GLY A 98 1.636 -12.559 9.130 1.00 16.68 C ATOM 799 O GLY A 98 1.738 -13.224 10.163 1.00 14.01 O ATOM 800 N TYR A 99 2.008 -13.008 7.932 1.00 13.40 N ATOM 801 CA TYR A 99 2.630 -14.308 7.744 1.00 14.40 C ATOM 802 C TYR A 99 3.866 -14.142 6.885 1.00 17.18 C ATOM 803 O TYR A 99 3.870 -13.353 5.949 1.00 15.81 O ATOM 804 CB TYR A 99 1.677 -15.268 7.029 1.00 15.60 C ATOM 805 CG TYR A 99 0.328 -15.429 7.690 1.00 19.05 C ATOM 806 CD1 TYR A 99 0.146 -16.327 8.737 1.00 14.60 C ATOM 807 CD2 TYR A 99 -0.768 -14.696 7.253 1.00 22.68 C ATOM 808 CE1 TYR A 99 -1.089 -16.490 9.328 1.00 19.35 C ATOM 809 CE2 TYR A 99 -2.000 -14.844 7.838 1.00 20.71 C ATOM 810 CZ TYR A 99 -2.159 -15.734 8.878 1.00 24.31 C ATOM 811 OH TYR A 99 -3.393 -15.882 9.459 1.00 26.71 O ATOM 812 N ILE A 100 4.914 -14.896 7.198 1.00 11.62 N ATOM 813 CA ILE A 100 6.075 -14.949 6.330 1.00 11.72 C ATOM 814 C ILE A 100 5.894 -16.119 5.384 1.00 14.95 C ATOM 815 O ILE A 100 5.777 -17.256 5.820 1.00 11.33 O ATOM 816 CB ILE A 100 7.379 -15.094 7.138 1.00 13.73 C ATOM 817 CG1 ILE A 100 7.604 -13.844 7.990 1.00 12.91 C ATOM 818 CG2 ILE A 100 8.556 -15.324 6.196 1.00 12.96 C ATOM 819 CD1 ILE A 100 8.764 -13.990 9.008 1.00 14.16 C ATOM 820 N SER A 101 5.842 -15.839 4.084 1.00 14.84 N ATOM 821 CA SER A 101 5.703 -16.911 3.103 1.00 14.01 C ATOM 822 C SER A 101 7.066 -17.437 2.669 1.00 14.77 C ATOM 823 O SER A 101 8.099 -16.809 2.926 1.00 10.92 O ATOM 824 CB SER A 101 4.936 -16.422 1.879 1.00 13.41 C ATOM 825 OG SER A 101 5.729 -15.501 1.153 1.00 16.27 O ATOM 826 N ALA A 102 7.072 -18.591 2.006 1.00 15.21 N ATOM 827 CA ALA A 102 8.310 -19.143 1.456 1.00 19.27 C ATOM 828 C ALA A 102 8.978 -18.143 0.510 1.00 15.68 C ATOM 829 O ALA A 102 10.195 -17.969 0.535 1.00 14.24 O ATOM 830 CB ALA A 102 8.033 -20.455 0.718 1.00 19.10 C ATOM 831 N ALA A 103 8.172 -17.511 -0.333 1.00 15.17 N ATOM 832 CA ALA A 103 8.694 -16.557 -1.306 1.00 22.49 C ATOM 833 C ALA A 103 9.315 -15.354 -0.593 1.00 14.72 C ATOM 834 O ALA A 103 10.408 -14.898 -0.943 1.00 14.91 O ATOM 835 CB ALA A 103 7.590 -16.112 -2.247 1.00 20.64 C ATOM 836 N GLU A 104 8.615 -14.852 0.418 1.00 14.72 N ATOM 837 CA GLU A 104 9.136 -13.744 1.212 1.00 16.34 C ATOM 838 C GLU A 104 10.444 -14.134 1.889 1.00 14.52 C ATOM 839 O GLU A 104 11.407 -13.369 1.878 1.00 13.44 O ATOM 840 CB GLU A 104 8.098 -13.258 2.228 1.00 13.64 C ATOM 841 CG GLU A 104 6.970 -12.442 1.596 1.00 15.35 C ATOM 842 CD GLU A 104 5.842 -12.124 2.557 1.00 13.46 C ATOM 843 OE1 GLU A 104 5.657 -12.858 3.550 1.00 14.50 O ATOM 844 OE2 GLU A 104 5.123 -11.135 2.320 1.00 16.57 O ATOM 845 N LEU A 105 10.481 -15.329 2.471 1.00 16.94 N ATOM 846 CA LEU A 105 11.688 -15.822 3.122 1.00 11.04 C ATOM 847 C LEU A 105 12.827 -15.970 2.110 1.00 14.65 C ATOM 848 O LEU A 105 13.972 -15.628 2.402 1.00 12.58 O ATOM 849 CB LEU A 105 11.412 -17.154 3.830 1.00 14.14 C ATOM 850 CG LEU A 105 12.604 -17.932 4.398 1.00 14.92 C ATOM 851 CD1 LEU A 105 13.344 -17.111 5.435 1.00 14.55 C ATOM 852 CD2 LEU A 105 12.123 -19.248 4.999 1.00 10.80 C ATOM 853 N ARG A 106 12.512 -16.461 0.914 1.00 15.18 N ATOM 854 CA ARG A 106 13.544 -16.579 -0.110 1.00 16.84 C ATOM 855 C ARG A 106 14.098 -15.210 -0.539 1.00 15.33 C ATOM 856 O ARG A 106 15.295 -15.057 -0.765 1.00 19.81 O ATOM 857 CB ARG A 106 13.061 -17.386 -1.321 1.00 11.85 C ATOM 858 CG ARG A 106 14.170 -17.635 -2.341 1.00 20.01 C ATOM 859 CD ARG A 106 13.807 -18.717 -3.341 1.00 19.93 C ATOM 860 NE ARG A 106 12.593 -18.381 -4.068 1.00 18.24 N ATOM 861 CZ ARG A 106 12.551 -17.552 -5.101 1.00 23.48 C ATOM 862 NH1 ARG A 106 13.663 -16.963 -5.532 1.00 29.75 N ATOM 863 NH2 ARG A 106 11.390 -17.300 -5.695 1.00 31.10 N ATOM 864 N HIS A 107 13.231 -14.214 -0.647 1.00 18.47 N ATOM 865 CA HIS A 107 13.687 -12.877 -1.021 1.00 19.46 C ATOM 866 C HIS A 107 14.550 -12.273 0.092 1.00 20.61 C ATOM 867 O HIS A 107 15.577 -11.643 -0.179 1.00 20.07 O ATOM 868 CB HIS A 107 12.492 -11.977 -1.351 1.00 21.47 C ATOM 869 CG HIS A 107 12.874 -10.641 -1.910 1.00 32.67 C ATOM 870 ND1 HIS A 107 12.488 -9.453 -1.327 1.00 36.63 N ATOM 871 CD2 HIS A 107 13.611 -10.305 -2.996 1.00 31.72 C ATOM 872 CE1 HIS A 107 12.969 -8.442 -2.030 1.00 28.79 C ATOM 873 NE2 HIS A 107 13.653 -8.932 -3.049 1.00 39.16 N ATOM 874 N VAL A 108 14.128 -12.483 1.341 1.00 21.14 N ATOM 875 CA VAL A 108 14.887 -12.059 2.516 1.00 17.23 C ATOM 876 C VAL A 108 16.307 -12.619 2.482 1.00 20.79 C ATOM 877 O VAL A 108 17.290 -11.893 2.646 1.00 17.74 O ATOM 878 CB VAL A 108 14.197 -12.528 3.809 1.00 21.41 C ATOM 879 CG1 VAL A 108 15.161 -12.482 4.978 1.00 25.24 C ATOM 880 CG2 VAL A 108 12.958 -11.683 4.079 1.00 19.19 C ATOM 881 N MET A 109 16.408 -13.921 2.261 1.00 14.33 N ATOM 882 CA MET A 109 17.702 -14.566 2.151 1.00 15.99 C ATOM 883 C MET A 109 18.542 -13.939 1.034 1.00 21.20 C ATOM 884 O MET A 109 19.719 -13.646 1.224 1.00 21.62 O ATOM 885 CB MET A 109 17.513 -16.074 1.927 1.00 19.76 C ATOM 886 CG MET A 109 17.082 -16.828 3.185 1.00 19.27 C ATOM 887 SD MET A 109 18.292 -16.636 4.504 1.00 25.72 S ATOM 888 CE MET A 109 17.537 -17.568 5.833 1.00 31.32 C ATOM 889 N THR A 110 17.933 -13.729 -0.127 1.00 22.57 N ATOM 890 CA THR A 110 18.631 -13.089 -1.239 1.00 25.06 C ATOM 891 C THR A 110 19.233 -11.740 -0.837 1.00 27.11 C ATOM 892 O THR A 110 20.394 -11.455 -1.139 1.00 27.57 O ATOM 893 CB THR A 110 17.707 -12.904 -2.459 1.00 23.58 C ATOM 894 OG1 THR A 110 17.485 -14.177 -3.086 1.00 23.67 O ATOM 895 CG2 THR A 110 18.346 -11.948 -3.467 1.00 25.41 C ATOM 896 N ASN A 111 18.448 -10.915 -0.151 1.00 22.99 N ATOM 897 CA ASN A 111 18.923 -9.598 0.280 1.00 24.56 C ATOM 898 C ASN A 111 20.054 -9.651 1.301 1.00 33.17 C ATOM 899 O ASN A 111 20.821 -8.692 1.449 1.00 33.68 O ATOM 900 CB ASN A 111 17.764 -8.753 0.803 1.00 26.59 C ATOM 901 CG ASN A 111 16.820 -8.338 -0.295 1.00 34.16 C ATOM 902 OD1 ASN A 111 17.149 -8.441 -1.475 1.00 36.09 O ATOM 903 ND2 ASN A 111 15.637 -7.865 0.081 1.00 40.14 N ATOM 904 N LEU A 112 20.155 -10.777 1.999 1.00 24.67 N ATOM 905 CA LEU A 112 21.218 -10.987 2.975 1.00 19.92 C ATOM 906 C LEU A 112 22.388 -11.765 2.365 1.00 28.32 C ATOM 907 O LEU A 112 23.276 -12.225 3.085 1.00 36.67 O ATOM 908 CB LEU A 112 20.687 -11.730 4.203 1.00 27.34 C ATOM 909 CG LEU A 112 19.708 -10.969 5.098 1.00 30.43 C ATOM 910 CD1 LEU A 112 18.995 -11.913 6.057 1.00 31.00 C ATOM 911 CD2 LEU A 112 20.437 -9.864 5.853 1.00 29.39 C ATOM 912 N GLY A 113 22.368 -11.928 1.042 1.00 30.11 N ATOM 913 CA GLY A 113 23.489 -12.516 0.317 1.00 27.74 C ATOM 914 C GLY A 113 23.451 -14.030 0.163 1.00 34.85 C ATOM 915 O GLY A 113 24.451 -14.653 -0.216 1.00 34.77 O ATOM 916 N GLU A 114 22.298 -14.633 0.440 1.00 25.64 N ATOM 917 CA GLU A 114 22.185 -16.085 0.386 1.00 24.97 C ATOM 918 C GLU A 114 21.152 -16.543 -0.646 1.00 32.16 C ATOM 919 O GLU A 114 19.997 -16.119 -0.620 1.00 26.70 O ATOM 920 CB GLU A 114 21.835 -16.639 1.766 1.00 33.18 C ATOM 921 CG GLU A 114 22.454 -17.985 2.060 1.00 38.74 C ATOM 922 CD GLU A 114 23.953 -17.900 2.266 1.00 45.32 C ATOM 923 OE1 GLU A 114 24.400 -17.030 3.045 1.00 48.22 O ATOM 924 OE2 GLU A 114 24.683 -18.702 1.647 1.00 41.93 O ATOM 925 N LYS A 115 21.572 -17.417 -1.551 1.00 17.20 N ATOM 926 CA LYS A 115 20.672 -17.922 -2.559 1.00 20.91 C ATOM 927 C LYS A 115 20.182 -19.314 -2.145 1.00 22.51 C ATOM 928 O LYS A 115 20.960 -20.269 -2.105 1.00 21.48 O ATOM 929 CB LYS A 115 21.373 -17.945 -3.920 1.00 19.19 C ATOM 930 CG LYS A 115 20.496 -18.394 -5.068 1.00 45.31 C ATOM 931 CD LYS A 115 19.900 -17.210 -5.808 1.00 53.88 C ATOM 932 CE LYS A 115 18.924 -17.665 -6.883 1.00 30.16 C ATOM 933 NZ LYS A 115 18.261 -16.498 -7.522 1.00 47.13 N ATOM 934 N LEU A 116 18.897 -19.406 -1.810 1.00 17.24 N ATOM 935 CA LEU A 116 18.247 -20.682 -1.492 1.00 18.37 C ATOM 936 C LEU A 116 17.294 -21.124 -2.597 1.00 14.58 C ATOM 937 O LEU A 116 16.643 -20.301 -3.224 1.00 14.67 O ATOM 938 CB LEU A 116 17.445 -20.571 -0.189 1.00 12.05 C ATOM 939 CG LEU A 116 18.230 -20.693 1.115 1.00 21.12 C ATOM 940 CD1 LEU A 116 19.183 -19.517 1.264 1.00 20.49 C ATOM 941 CD2 LEU A 116 17.282 -20.784 2.284 1.00 15.75 C ATOM 942 N THR A 117 17.211 -22.430 -2.826 1.00 15.34 N ATOM 943 CA THR A 117 16.193 -22.976 -3.712 1.00 15.95 C ATOM 944 C THR A 117 14.819 -22.984 -3.010 1.00 12.62 C ATOM 945 O THR A 117 14.731 -22.813 -1.798 1.00 14.27 O ATOM 946 CB THR A 117 16.552 -24.413 -4.146 1.00 17.68 C ATOM 947 OG1 THR A 117 16.542 -25.274 -2.998 1.00 16.66 O ATOM 948 CG2 THR A 117 17.946 -24.452 -4.820 1.00 16.28 C ATOM 949 N ASP A 118 13.753 -23.170 -3.777 1.00 12.86 N ATOM 950 CA ASP A 118 12.408 -23.339 -3.200 1.00 12.68 C ATOM 951 C ASP A 118 12.385 -24.484 -2.194 1.00 14.21 C ATOM 952 O ASP A 118 11.758 -24.395 -1.141 1.00 14.00 O ATOM 953 CB ASP A 118 11.380 -23.600 -4.295 1.00 13.43 C ATOM 954 CG ASP A 118 10.984 -22.336 -5.033 1.00 23.83 C ATOM 955 OD1 ASP A 118 11.188 -21.230 -4.486 1.00 20.64 O ATOM 956 OD2 ASP A 118 10.459 -22.450 -6.154 1.00 19.36 O ATOM 957 N GLU A 119 13.078 -25.561 -2.536 1.00 15.13 N ATOM 958 CA AGLU A 119 13.214 -26.715 -1.658 0.55 21.09 C ATOM 959 CA BGLU A 119 13.198 -26.714 -1.656 0.45 21.09 C ATOM 960 C GLU A 119 13.761 -26.325 -0.288 1.00 19.43 C ATOM 961 O GLU A 119 13.234 -26.733 0.746 1.00 16.43 O ATOM 962 CB AGLU A 119 14.135 -27.750 -2.304 0.55 25.88 C ATOM 963 CB BGLU A 119 14.084 -27.774 -2.309 0.45 25.86 C ATOM 964 CG AGLU A 119 14.872 -28.628 -1.305 0.55 32.18 C ATOM 965 CG BGLU A 119 14.172 -29.080 -1.541 0.45 32.15 C ATOM 966 CD AGLU A 119 13.953 -29.601 -0.599 0.55 31.64 C ATOM 967 CD BGLU A 119 15.306 -29.960 -2.030 0.45 34.47 C ATOM 968 OE1AGLU A 119 13.069 -30.173 -1.269 0.55 29.52 O ATOM 969 OE1BGLU A 119 16.451 -29.463 -2.122 0.45 37.28 O ATOM 970 OE2AGLU A 119 14.115 -29.792 0.626 0.55 37.49 O ATOM 971 OE2BGLU A 119 15.054 -31.146 -2.324 0.45 36.91 O ATOM 972 N GLU A 120 14.829 -25.534 -0.283 1.00 18.39 N ATOM 973 CA GLU A 120 15.478 -25.150 0.966 1.00 14.96 C ATOM 974 C GLU A 120 14.600 -24.220 1.802 1.00 13.15 C ATOM 975 O GLU A 120 14.498 -24.393 3.013 1.00 16.91 O ATOM 976 CB GLU A 120 16.832 -24.490 0.698 1.00 16.25 C ATOM 977 CG GLU A 120 17.892 -25.439 0.182 1.00 22.37 C ATOM 978 CD GLU A 120 19.164 -24.707 -0.210 1.00 33.76 C ATOM 979 OE1 GLU A 120 19.119 -23.917 -1.178 1.00 20.93 O ATOM 980 OE2 GLU A 120 20.196 -24.903 0.463 1.00 32.70 O ATOM 981 N VAL A 121 13.973 -23.232 1.169 1.00 10.56 N ATOM 982 CA AVAL A 121 13.083 -22.326 1.879 0.36 13.24 C ATOM 983 CA BVAL A 121 13.102 -22.337 1.920 0.64 13.22 C ATOM 984 C VAL A 121 11.845 -23.056 2.400 1.00 17.86 C ATOM 985 O VAL A 121 11.358 -22.760 3.478 1.00 12.59 O ATOM 986 CB AVAL A 121 12.628 -21.156 0.997 0.36 14.11 C ATOM 987 CB BVAL A 121 12.712 -21.044 1.166 0.64 14.21 C ATOM 988 CG1AVAL A 121 11.708 -20.246 1.784 0.36 12.20 C ATOM 989 CG1BVAL A 121 13.945 -20.187 0.892 0.64 20.09 C ATOM 990 CG2AVAL A 121 13.832 -20.379 0.477 0.36 19.58 C ATOM 991 CG2BVAL A 121 11.946 -21.357 -0.107 0.64 12.29 C ATOM 992 N ASP A 122 11.332 -24.003 1.609 1.00 11.01 N ATOM 993 CA ASP A 122 10.158 -24.780 2.027 1.00 17.00 C ATOM 994 C ASP A 122 10.451 -25.571 3.308 1.00 14.69 C ATOM 995 O ASP A 122 9.628 -25.637 4.224 1.00 10.66 O ATOM 996 CB ASP A 122 9.686 -25.717 0.915 1.00 14.45 C ATOM 997 CG ASP A 122 8.836 -25.011 -0.126 1.00 19.78 C ATOM 998 OD1 ASP A 122 8.547 -23.802 0.031 1.00 20.65 O ATOM 999 OD2 ASP A 122 8.446 -25.677 -1.110 1.00 25.19 O ATOM 1000 N GLU A 123 11.638 -26.163 3.361 1.00 12.26 N ATOM 1001 CA GLU A 123 12.122 -26.839 4.553 1.00 12.82 C ATOM 1002 C GLU A 123 12.131 -25.904 5.778 1.00 12.44 C ATOM 1003 O GLU A 123 11.652 -26.273 6.846 1.00 13.31 O ATOM 1004 CB GLU A 123 13.524 -27.392 4.272 1.00 14.94 C ATOM 1005 CG GLU A 123 14.152 -28.212 5.360 1.00 30.31 C ATOM 1006 CD GLU A 123 15.253 -29.119 4.812 1.00 53.58 C ATOM 1007 OE1 GLU A 123 15.366 -29.241 3.568 1.00 45.13 O ATOM 1008 OE2 GLU A 123 15.997 -29.713 5.619 1.00 43.25 O ATOM 1009 N MET A 124 12.680 -24.701 5.618 1.00 9.26 N ATOM 1010 CA MET A 124 12.739 -23.722 6.704 1.00 12.57 C ATOM 1011 C MET A 124 11.360 -23.337 7.170 1.00 12.36 C ATOM 1012 O MET A 124 11.137 -23.158 8.363 1.00 14.39 O ATOM 1013 CB MET A 124 13.480 -22.448 6.279 1.00 16.32 C ATOM 1014 CG MET A 124 14.986 -22.528 6.359 1.00 22.41 C ATOM 1015 SD MET A 124 15.710 -20.877 6.154 1.00 21.85 S ATOM 1016 CE MET A 124 15.624 -20.197 7.792 1.00 20.83 C ATOM 1017 N ILE A 125 10.433 -23.198 6.227 1.00 11.62 N ATOM 1018 CA ILE A 125 9.062 -22.855 6.585 1.00 11.31 C ATOM 1019 C ILE A 125 8.431 -23.995 7.384 1.00 11.10 C ATOM 1020 O ILE A 125 7.827 -23.776 8.441 1.00 11.18 O ATOM 1021 CB ILE A 125 8.187 -22.584 5.343 1.00 9.88 C ATOM 1022 CG1 ILE A 125 8.665 -21.342 4.578 1.00 12.12 C ATOM 1023 CG2 ILE A 125 6.720 -22.458 5.774 1.00 11.75 C ATOM 1024 CD1 ILE A 125 8.468 -20.035 5.337 1.00 12.15 C ATOM 1025 N ARG A 126 8.557 -25.220 6.876 1.00 11.90 N ATOM 1026 CA ARG A 126 7.993 -26.374 7.589 1.00 12.98 C ATOM 1027 C ARG A 126 8.565 -26.502 9.000 1.00 9.70 C ATOM 1028 O ARG A 126 7.850 -26.861 9.950 1.00 13.17 O ATOM 1029 CB ARG A 126 8.215 -27.674 6.810 1.00 11.78 C ATOM 1030 CG ARG A 126 7.405 -27.771 5.530 1.00 10.83 C ATOM 1031 CD ARG A 126 7.277 -29.219 5.045 1.00 14.41 C ATOM 1032 NE ARG A 126 8.576 -29.864 4.883 1.00 15.42 N ATOM 1033 CZ ARG A 126 9.393 -29.692 3.846 1.00 18.19 C ATOM 1034 NH1 ARG A 126 9.050 -28.887 2.853 1.00 17.89 N ATOM 1035 NH2 ARG A 126 10.564 -30.326 3.807 1.00 13.11 N ATOM 1036 N GLU A 127 9.856 -26.233 9.139 1.00 10.56 N ATOM 1037 CA GLU A 127 10.488 -26.281 10.445 1.00 14.76 C ATOM 1038 C GLU A 127 9.742 -25.419 11.463 1.00 17.92 C ATOM 1039 O GLU A 127 9.532 -25.845 12.607 1.00 12.79 O ATOM 1040 CB GLU A 127 11.942 -25.833 10.357 1.00 20.96 C ATOM 1041 CG GLU A 127 12.786 -26.376 11.482 1.00 26.08 C ATOM 1042 CD GLU A 127 14.197 -25.839 11.458 1.00 47.99 C ATOM 1043 OE1 GLU A 127 14.470 -24.931 10.640 1.00 41.40 O ATOM 1044 OE2 GLU A 127 15.028 -26.332 12.253 1.00 47.48 O ATOM 1045 N ALA A 128 9.325 -24.224 11.034 1.00 10.12 N ATOM 1046 CA ALA A 128 8.685 -23.248 11.922 1.00 11.97 C ATOM 1047 C ALA A 128 7.149 -23.287 11.912 1.00 19.45 C ATOM 1048 O ALA A 128 6.511 -22.708 12.787 1.00 10.64 O ATOM 1049 CB ALA A 128 9.147 -21.834 11.564 1.00 12.88 C ATOM 1050 N ASP A 129 6.567 -23.946 10.914 1.00 13.73 N ATOM 1051 CA ASP A 129 5.126 -23.908 10.684 1.00 16.58 C ATOM 1052 C ASP A 129 4.351 -24.845 11.598 1.00 14.65 C ATOM 1053 O ASP A 129 3.822 -25.870 11.163 1.00 11.91 O ATOM 1054 CB ASP A 129 4.822 -24.218 9.217 1.00 10.54 C ATOM 1055 CG ASP A 129 3.351 -24.098 8.883 1.00 13.31 C ATOM 1056 OD1 ASP A 129 2.609 -23.393 9.607 1.00 17.13 O ATOM 1057 OD2 ASP A 129 2.942 -24.711 7.877 1.00 17.50 O ATOM 1058 N ILE A 130 4.265 -24.476 12.867 1.00 16.82 N ATOM 1059 CA ILE A 130 3.625 -25.331 13.850 1.00 20.32 C ATOM 1060 C ILE A 130 2.182 -25.685 13.462 1.00 22.70 C ATOM 1061 O ILE A 130 1.773 -26.839 13.589 1.00 22.63 O ATOM 1062 CB ILE A 130 3.693 -24.700 15.257 1.00 22.36 C ATOM 1063 CG1 ILE A 130 5.155 -24.646 15.730 1.00 19.37 C ATOM 1064 CG2 ILE A 130 2.836 -25.479 16.233 1.00 27.41 C ATOM 1065 CD1 ILE A 130 5.362 -23.866 16.997 1.00 27.77 C ATOM 1066 N ASP A 131 1.430 -24.704 12.962 1.00 23.51 N ATOM 1067 CA ASP A 131 -0.004 -24.886 12.691 1.00 25.59 C ATOM 1068 C ASP A 131 -0.334 -25.381 11.280 1.00 23.82 C ATOM 1069 O ASP A 131 -1.498 -25.519 10.928 1.00 23.87 O ATOM 1070 CB ASP A 131 -0.827 -23.622 13.052 1.00 28.16 C ATOM 1071 CG ASP A 131 -0.553 -22.439 12.124 1.00 27.90 C ATOM 1072 OD1 ASP A 131 0.017 -22.647 11.043 1.00 18.75 O ATOM 1073 OD2 ASP A 131 -0.921 -21.295 12.473 1.00 33.74 O ATOM 1074 N GLY A 132 0.695 -25.655 10.482 1.00 21.44 N ATOM 1075 CA GLY A 132 0.527 -26.270 9.181 1.00 18.19 C ATOM 1076 C GLY A 132 -0.185 -25.473 8.098 1.00 24.71 C ATOM 1077 O GLY A 132 -0.669 -26.055 7.128 1.00 19.10 O ATOM 1078 N ASP A 133 -0.251 -24.151 8.232 1.00 19.85 N ATOM 1079 CA ASP A 133 -0.968 -23.361 7.231 1.00 17.27 C ATOM 1080 C ASP A 133 -0.072 -23.004 6.039 1.00 18.09 C ATOM 1081 O ASP A 133 -0.526 -22.398 5.073 1.00 20.91 O ATOM 1082 CB ASP A 133 -1.655 -22.128 7.852 1.00 19.53 C ATOM 1083 CG ASP A 133 -0.675 -21.031 8.250 1.00 22.66 C ATOM 1084 OD1 ASP A 133 0.549 -21.282 8.282 1.00 23.97 O ATOM 1085 OD2 ASP A 133 -1.137 -19.912 8.559 1.00 22.72 O ATOM 1086 N GLY A 134 1.192 -23.417 6.098 1.00 18.25 N ATOM 1087 CA GLY A 134 2.111 -23.213 4.994 1.00 18.82 C ATOM 1088 C GLY A 134 2.907 -21.920 5.073 1.00 13.32 C ATOM 1089 O GLY A 134 3.668 -21.589 4.165 1.00 16.21 O ATOM 1090 N GLN A 135 2.730 -21.175 6.157 1.00 14.65 N ATOM 1091 CA GLN A 135 3.521 -19.970 6.346 1.00 15.78 C ATOM 1092 C GLN A 135 3.824 -19.738 7.816 1.00 17.53 C ATOM 1093 O GLN A 135 3.349 -20.463 8.679 1.00 14.41 O ATOM 1094 CB GLN A 135 2.870 -18.752 5.680 1.00 17.75 C ATOM 1095 CG GLN A 135 1.387 -18.641 5.838 1.00 28.14 C ATOM 1096 CD GLN A 135 0.785 -17.808 4.731 1.00 28.35 C ATOM 1097 OE1 GLN A 135 1.450 -17.495 3.741 1.00 36.28 O ATOM 1098 NE2 GLN A 135 -0.471 -17.446 4.887 1.00 29.31 N ATOM 1099 N VAL A 136 4.656 -18.755 8.102 1.00 11.70 N ATOM 1100 CA VAL A 136 5.107 -18.560 9.471 1.00 7.59 C ATOM 1101 C VAL A 136 4.499 -17.275 10.056 1.00 16.00 C ATOM 1102 O VAL A 136 4.808 -16.181 9.597 1.00 11.91 O ATOM 1103 CB VAL A 136 6.638 -18.533 9.541 1.00 11.49 C ATOM 1104 CG1 VAL A 136 7.103 -18.270 10.972 1.00 12.35 C ATOM 1105 CG2 VAL A 136 7.217 -19.870 9.025 1.00 11.42 C ATOM 1106 N ASN A 137 3.624 -17.409 11.052 1.00 14.89 N ATOM 1107 CA ASN A 137 3.062 -16.217 11.695 1.00 13.32 C ATOM 1108 C ASN A 137 3.962 -15.730 12.832 1.00 16.09 C ATOM 1109 O ASN A 137 4.984 -16.344 13.125 1.00 11.76 O ATOM 1110 CB ASN A 137 1.606 -16.435 12.153 1.00 16.73 C ATOM 1111 CG ASN A 137 1.492 -17.234 13.449 1.00 18.08 C ATOM 1112 OD1 ASN A 137 2.469 -17.798 13.953 1.00 12.02 O ATOM 1113 ND2 ASN A 137 0.277 -17.298 13.983 1.00 21.10 N ATOM 1114 N TYR A 138 3.609 -14.612 13.453 1.00 10.50 N ATOM 1115 CA TYR A 138 4.470 -14.052 14.495 1.00 10.67 C ATOM 1116 C TYR A 138 4.747 -14.999 15.669 1.00 11.66 C ATOM 1117 O TYR A 138 5.890 -15.114 16.134 1.00 14.27 O ATOM 1118 CB TYR A 138 3.928 -12.721 15.015 1.00 11.92 C ATOM 1119 CG TYR A 138 4.819 -12.151 16.075 1.00 17.81 C ATOM 1120 CD1 TYR A 138 6.080 -11.664 15.750 1.00 15.49 C ATOM 1121 CD2 TYR A 138 4.425 -12.137 17.410 1.00 18.61 C ATOM 1122 CE1 TYR A 138 6.919 -11.160 16.719 1.00 15.55 C ATOM 1123 CE2 TYR A 138 5.257 -11.629 18.388 1.00 20.45 C ATOM 1124 CZ TYR A 138 6.500 -11.140 18.036 1.00 24.58 C ATOM 1125 OH TYR A 138 7.333 -10.637 19.003 1.00 23.46 O ATOM 1126 N GLU A 139 3.704 -15.655 16.168 1.00 10.51 N ATOM 1127 CA GLU A 139 3.864 -16.595 17.264 1.00 14.38 C ATOM 1128 C GLU A 139 4.879 -17.690 16.908 1.00 14.29 C ATOM 1129 O GLU A 139 5.749 -18.037 17.707 1.00 13.23 O ATOM 1130 CB GLU A 139 2.515 -17.219 17.629 1.00 11.06 C ATOM 1131 CG GLU A 139 1.646 -16.361 18.554 1.00 21.32 C ATOM 1132 CD GLU A 139 0.829 -15.294 17.824 1.00 20.15 C ATOM 1133 OE1 GLU A 139 1.055 -15.054 16.612 1.00 20.62 O ATOM 1134 OE2 GLU A 139 -0.049 -14.691 18.474 1.00 21.05 O ATOM 1135 N GLU A 140 4.763 -18.227 15.700 1.00 14.87 N ATOM 1136 CA GLU A 140 5.686 -19.263 15.235 1.00 10.67 C ATOM 1137 C GLU A 140 7.127 -18.738 15.128 1.00 12.14 C ATOM 1138 O GLU A 140 8.091 -19.427 15.508 1.00 14.36 O ATOM 1139 CB GLU A 140 5.189 -19.847 13.907 1.00 13.95 C ATOM 1140 CG GLU A 140 3.961 -20.760 14.058 1.00 15.33 C ATOM 1141 CD GLU A 140 3.240 -21.030 12.735 1.00 16.77 C ATOM 1142 OE1 GLU A 140 3.543 -20.363 11.730 1.00 16.85 O ATOM 1143 OE2 GLU A 140 2.359 -21.914 12.696 1.00 15.56 O ATOM 1144 N PHE A 141 7.263 -17.511 14.628 1.00 10.91 N ATOM 1145 CA PHE A 141 8.555 -16.828 14.520 1.00 14.35 C ATOM 1146 C PHE A 141 9.198 -16.687 15.902 1.00 12.40 C ATOM 1147 O PHE A 141 10.363 -17.043 16.106 1.00 13.26 O ATOM 1148 CB PHE A 141 8.350 -15.447 13.889 1.00 12.12 C ATOM 1149 CG PHE A 141 9.621 -14.720 13.555 1.00 11.79 C ATOM 1150 CD1 PHE A 141 10.413 -15.122 12.482 1.00 13.15 C ATOM 1151 CD2 PHE A 141 10.000 -13.596 14.275 1.00 10.71 C ATOM 1152 CE1 PHE A 141 11.580 -14.432 12.159 1.00 13.75 C ATOM 1153 CE2 PHE A 141 11.151 -12.901 13.957 1.00 13.84 C ATOM 1154 CZ PHE A 141 11.947 -13.313 12.887 1.00 11.72 C ATOM 1155 N VAL A 142 8.430 -16.164 16.848 1.00 16.80 N ATOM 1156 CA VAL A 142 8.935 -15.921 18.195 1.00 18.35 C ATOM 1157 C VAL A 142 9.372 -17.205 18.881 1.00 18.28 C ATOM 1158 O VAL A 142 10.373 -17.225 19.590 1.00 20.98 O ATOM 1159 CB VAL A 142 7.883 -15.219 19.060 1.00 20.89 C ATOM 1160 CG1 VAL A 142 8.215 -15.391 20.532 1.00 27.58 C ATOM 1161 CG2 VAL A 142 7.807 -13.755 18.674 1.00 18.83 C ATOM 1162 N GLN A 143 8.604 -18.267 18.670 1.00 15.69 N ATOM 1163 CA GLN A 143 8.958 -19.593 19.162 1.00 20.99 C ATOM 1164 C GLN A 143 10.355 -20.048 18.689 1.00 25.47 C ATOM 1165 O GLN A 143 11.064 -20.750 19.410 1.00 18.35 O ATOM 1166 CB GLN A 143 7.897 -20.603 18.716 1.00 21.16 C ATOM 1167 CG GLN A 143 7.950 -21.933 19.447 1.00 38.53 C ATOM 1168 CD GLN A 143 7.028 -21.967 20.649 1.00 58.56 C ATOM 1169 OE1 GLN A 143 7.475 -22.122 21.787 1.00 55.44 O ATOM 1170 NE2 GLN A 143 5.730 -21.825 20.402 1.00 57.98 N ATOM 1171 N MET A 144 10.739 -19.655 17.477 1.00 17.73 N ATOM 1172 CA AMET A 144 12.051 -20.003 16.927 0.47 20.55 C ATOM 1173 CA BMET A 144 12.054 -19.994 16.928 0.53 20.55 C ATOM 1174 C MET A 144 13.177 -19.122 17.476 1.00 21.16 C ATOM 1175 O MET A 144 14.357 -19.433 17.300 1.00 24.96 O ATOM 1176 CB AMET A 144 12.032 -19.914 15.396 0.47 15.88 C ATOM 1177 CB BMET A 144 12.043 -19.885 15.403 0.53 15.86 C ATOM 1178 CG AMET A 144 11.134 -20.934 14.718 0.47 17.04 C ATOM 1179 CG BMET A 144 11.610 -21.148 14.713 0.53 20.61 C ATOM 1180 SD AMET A 144 11.712 -22.626 14.980 0.47 27.20 S ATOM 1181 SD BMET A 144 12.668 -22.538 15.174 0.53 20.27 S ATOM 1182 CE AMET A 144 13.465 -22.425 14.660 0.47 15.64 C ATOM 1183 CE BMET A 144 12.032 -23.772 14.037 0.53 16.68 C ATOM 1184 N MET A 145 12.804 -18.021 18.123 1.00 23.70 N ATOM 1185 CA MET A 145 13.757 -17.081 18.703 1.00 23.09 C ATOM 1186 C MET A 145 13.924 -17.358 20.185 1.00 35.48 C ATOM 1187 O MET A 145 14.873 -16.894 20.808 1.00 36.47 O ATOM 1188 CB MET A 145 13.257 -15.638 18.548 1.00 24.85 C ATOM 1189 CG MET A 145 12.954 -15.233 17.125 1.00 26.52 C ATOM 1190 SD MET A 145 14.396 -15.460 16.073 1.00 30.85 S ATOM 1191 CE MET A 145 13.627 -15.719 14.483 1.00 22.54 C ATOM 1192 N THR A 146 12.976 -18.102 20.745 1.00 38.37 N ATOM 1193 CA THR A 146 12.911 -18.324 22.184 1.00 48.79 C ATOM 1194 C THR A 146 12.612 -19.788 22.499 1.00 52.39 C ATOM 1195 O THR A 146 13.223 -20.696 21.929 1.00 59.90 O ATOM 1196 CB THR A 146 11.829 -17.432 22.835 1.00 47.65 C ATOM 1197 OG1 THR A 146 10.545 -17.753 22.282 1.00 43.32 O ATOM 1198 CG2 THR A 146 12.124 -15.956 22.588 1.00 40.92 C TER 1199 THR A 146 ATOM 1200 N HIS G 69 27.334 -36.239 0.070 1.00 27.40 N ATOM 1201 CA HIS G 69 27.430 -34.809 0.346 1.00 34.33 C ATOM 1202 C HIS G 69 26.043 -34.220 0.551 1.00 30.27 C ATOM 1203 O HIS G 69 25.059 -34.718 0.004 1.00 36.60 O ATOM 1204 CB HIS G 69 28.123 -34.085 -0.808 1.00 35.67 C ATOM 1205 CG HIS G 69 27.388 -34.187 -2.109 1.00 37.65 C ATOM 1206 ND1 HIS G 69 27.685 -35.141 -3.060 1.00 49.73 N ATOM 1207 CD2 HIS G 69 26.361 -33.462 -2.612 1.00 48.62 C ATOM 1208 CE1 HIS G 69 26.875 -34.995 -4.094 1.00 53.66 C ATOM 1209 NE2 HIS G 69 26.062 -33.984 -3.848 1.00 57.45 N ATOM 1210 N SER G 70 25.963 -33.148 1.329 1.00 26.99 N ATOM 1211 CA SER G 70 24.677 -32.499 1.565 1.00 37.89 C ATOM 1212 C SER G 70 24.812 -30.994 1.780 1.00 30.84 C ATOM 1213 O SER G 70 25.892 -30.489 2.098 1.00 29.97 O ATOM 1214 CB SER G 70 23.972 -33.138 2.761 1.00 33.77 C ATOM 1215 OG SER G 70 24.800 -33.120 3.911 1.00 39.19 O ATOM 1216 N MET G 71 23.704 -30.285 1.594 1.00 41.83 N ATOM 1217 CA MET G 71 23.645 -28.859 1.884 1.00 40.21 C ATOM 1218 C MET G 71 23.367 -28.657 3.366 1.00 40.55 C ATOM 1219 O MET G 71 22.602 -29.412 3.970 1.00 35.43 O ATOM 1220 CB MET G 71 22.539 -28.191 1.062 1.00 35.00 C ATOM 1221 CG MET G 71 22.667 -28.388 -0.441 1.00 42.90 C ATOM 1222 SD MET G 71 21.301 -27.651 -1.364 1.00 73.44 S ATOM 1223 CE MET G 71 19.898 -28.525 -0.667 1.00 39.32 C ATOM 1224 N GLN G 72 24.001 -27.648 3.953 1.00 40.99 N ATOM 1225 CA GLN G 72 23.706 -27.270 5.327 1.00 42.23 C ATOM 1226 C GLN G 72 22.494 -26.351 5.330 1.00 37.89 C ATOM 1227 O GLN G 72 22.306 -25.558 4.410 1.00 35.26 O ATOM 1228 CB GLN G 72 24.895 -26.554 5.971 1.00 37.82 C ATOM 1229 CG GLN G 72 26.128 -27.414 6.160 1.00 52.81 C ATOM 1230 CD GLN G 72 26.987 -26.934 7.314 1.00 55.27 C ATOM 1231 OE1 GLN G 72 26.471 -26.564 8.371 1.00 60.32 O ATOM 1232 NE2 GLN G 72 28.301 -26.932 7.118 1.00 55.33 N ATOM 1233 N ALA G 73 21.670 -26.463 6.362 1.00 37.16 N ATOM 1234 CA ALA G 73 20.470 -25.650 6.448 1.00 43.17 C ATOM 1235 C ALA G 73 20.732 -24.464 7.363 1.00 34.38 C ATOM 1236 O ALA G 73 21.601 -24.530 8.235 1.00 32.15 O ATOM 1237 CB ALA G 73 19.303 -26.478 6.955 1.00 45.77 C ATOM 1238 N LEU G 74 19.997 -23.377 7.140 1.00 32.51 N ATOM 1239 CA LEU G 74 20.119 -22.183 7.965 1.00 38.95 C ATOM 1240 C LEU G 74 19.062 -22.246 9.061 1.00 28.53 C ATOM 1241 O LEU G 74 18.077 -22.972 8.940 1.00 31.42 O ATOM 1242 CB LEU G 74 19.926 -20.915 7.121 1.00 31.08 C ATOM 1243 CG LEU G 74 20.930 -20.601 6.007 1.00 43.24 C ATOM 1244 CD1 LEU G 74 20.379 -19.525 5.077 1.00 38.24 C ATOM 1245 CD2 LEU G 74 22.284 -20.184 6.576 1.00 45.71 C ATOM 1246 N SER G 75 19.266 -21.494 10.134 1.00 24.19 N ATOM 1247 CA SER G 75 18.274 -21.455 11.201 1.00 28.15 C ATOM 1248 C SER G 75 17.547 -20.118 11.208 1.00 20.04 C ATOM 1249 O SER G 75 18.029 -19.116 10.663 1.00 19.05 O ATOM 1250 CB SER G 75 18.909 -21.721 12.569 1.00 28.22 C ATOM 1251 OG SER G 75 19.766 -20.663 12.947 1.00 23.57 O ATOM 1252 N TRP G 76 16.376 -20.115 11.825 1.00 17.24 N ATOM 1253 CA TRP G 76 15.601 -18.901 11.960 1.00 20.50 C ATOM 1254 C TRP G 76 16.348 -17.906 12.847 1.00 18.37 C ATOM 1255 O TRP G 76 16.389 -16.703 12.562 1.00 18.93 O ATOM 1256 CB TRP G 76 14.217 -19.240 12.512 1.00 14.72 C ATOM 1257 CG TRP G 76 13.314 -19.788 11.440 1.00 15.01 C ATOM 1258 CD1 TRP G 76 13.135 -21.101 11.106 1.00 17.30 C ATOM 1259 CD2 TRP G 76 12.487 -19.029 10.542 1.00 16.76 C ATOM 1260 NE1 TRP G 76 12.233 -21.206 10.069 1.00 16.68 N ATOM 1261 CE2 TRP G 76 11.819 -19.952 9.706 1.00 12.62 C ATOM 1262 CE3 TRP G 76 12.238 -17.664 10.375 1.00 14.86 C ATOM 1263 CZ2 TRP G 76 10.910 -19.546 8.708 1.00 10.12 C ATOM 1264 CZ3 TRP G 76 11.337 -17.263 9.389 1.00 20.07 C ATOM 1265 CH2 TRP G 76 10.680 -18.203 8.574 1.00 12.05 C ATOM 1266 N ARG G 77 16.961 -18.409 13.911 1.00 21.09 N ATOM 1267 CA ARG G 77 17.742 -17.548 14.796 1.00 16.73 C ATOM 1268 C ARG G 77 18.941 -16.913 14.082 1.00 11.91 C ATOM 1269 O ARG G 77 19.237 -15.734 14.281 1.00 18.62 O ATOM 1270 CB ARG G 77 18.180 -18.319 16.054 1.00 22.51 C ATOM 1271 CG ARG G 77 18.829 -17.450 17.128 1.00 22.33 C ATOM 1272 CD ARG G 77 17.872 -16.392 17.692 1.00 41.26 C ATOM 1273 NE ARG G 77 18.456 -15.697 18.844 1.00 39.59 N ATOM 1274 CZ ARG G 77 17.855 -14.726 19.529 1.00 32.41 C ATOM 1275 NH1 ARG G 77 16.645 -14.313 19.185 1.00 30.44 N ATOM 1276 NH2 ARG G 77 18.469 -14.164 20.561 1.00 39.04 N ATOM 1277 N LYS G 78 19.634 -17.675 13.241 1.00 14.76 N ATOM 1278 CA LYS G 78 20.762 -17.109 12.510 1.00 17.10 C ATOM 1279 C LYS G 78 20.318 -15.993 11.567 1.00 19.15 C ATOM 1280 O LYS G 78 21.020 -14.999 11.401 1.00 16.98 O ATOM 1281 CB LYS G 78 21.542 -18.186 11.739 1.00 19.71 C ATOM 1282 CG LYS G 78 22.722 -17.637 10.926 1.00 26.64 C ATOM 1283 CD LYS G 78 23.341 -18.728 10.052 1.00 33.42 C ATOM 1284 CE LYS G 78 24.492 -18.200 9.209 1.00 45.56 C ATOM 1285 NZ LYS G 78 25.740 -18.021 9.996 1.00 31.00 N ATOM 1286 N LEU G 79 19.160 -16.177 10.938 1.00 17.27 N ATOM 1287 CA LEU G 79 18.572 -15.167 10.066 1.00 16.56 C ATOM 1288 C LEU G 79 18.287 -13.889 10.848 1.00 15.72 C ATOM 1289 O LEU G 79 18.619 -12.779 10.425 1.00 14.36 O ATOM 1290 CB LEU G 79 17.253 -15.686 9.498 1.00 16.28 C ATOM 1291 CG LEU G 79 16.376 -14.632 8.814 1.00 18.89 C ATOM 1292 CD1 LEU G 79 17.110 -14.000 7.642 1.00 21.33 C ATOM 1293 CD2 LEU G 79 15.055 -15.256 8.364 1.00 17.25 C ATOM 1294 N TYR G 80 17.634 -14.063 11.988 1.00 18.09 N ATOM 1295 CA TYR G 80 17.352 -12.946 12.873 1.00 17.58 C ATOM 1296 C TYR G 80 18.643 -12.204 13.239 1.00 15.29 C ATOM 1297 O TYR G 80 18.717 -10.973 13.152 1.00 16.59 O ATOM 1298 CB TYR G 80 16.620 -13.435 14.122 1.00 15.86 C ATOM 1299 CG TYR G 80 16.404 -12.337 15.123 1.00 20.23 C ATOM 1300 CD1 TYR G 80 15.561 -11.266 14.833 1.00 15.82 C ATOM 1301 CD2 TYR G 80 17.054 -12.356 16.348 1.00 13.14 C ATOM 1302 CE1 TYR G 80 15.369 -10.244 15.740 1.00 16.79 C ATOM 1303 CE2 TYR G 80 16.865 -11.336 17.271 1.00 19.79 C ATOM 1304 CZ TYR G 80 16.022 -10.285 16.958 1.00 20.72 C ATOM 1305 OH TYR G 80 15.829 -9.269 17.857 1.00 26.45 O ATOM 1306 N LEU G 81 19.666 -12.951 13.637 1.00 13.20 N ATOM 1307 CA LEU G 81 20.928 -12.336 14.055 1.00 18.33 C ATOM 1308 C LEU G 81 21.717 -11.693 12.902 1.00 20.01 C ATOM 1309 O LEU G 81 22.429 -10.707 13.106 1.00 16.43 O ATOM 1310 CB LEU G 81 21.789 -13.344 14.819 1.00 14.94 C ATOM 1311 CG LEU G 81 21.145 -13.805 16.125 1.00 16.61 C ATOM 1312 CD1 LEU G 81 22.003 -14.863 16.784 1.00 23.10 C ATOM 1313 CD2 LEU G 81 20.892 -12.614 17.071 1.00 17.61 C ATOM 1314 N SER G 82 21.571 -12.237 11.695 1.00 18.84 N ATOM 1315 CA SER G 82 22.227 -11.676 10.510 1.00 16.06 C ATOM 1316 C SER G 82 21.657 -10.287 10.182 1.00 20.97 C ATOM 1317 O SER G 82 22.386 -9.366 9.825 1.00 22.39 O ATOM 1318 CB SER G 82 22.058 -12.623 9.311 1.00 16.99 C ATOM 1319 OG SER G 82 22.581 -13.916 9.590 1.00 21.08 O ATOM 1320 N ARG G 83 20.346 -10.134 10.314 1.00 15.15 N ATOM 1321 CA ARG G 83 19.742 -8.810 10.204 1.00 13.77 C ATOM 1322 C ARG G 83 20.245 -7.865 11.298 1.00 22.73 C ATOM 1323 O ARG G 83 20.548 -6.700 11.035 1.00 22.82 O ATOM 1324 CB ARG G 83 18.220 -8.879 10.275 1.00 14.34 C ATOM 1325 CG ARG G 83 17.619 -7.508 10.575 1.00 30.27 C ATOM 1326 CD ARG G 83 16.251 -7.306 9.954 1.00 31.45 C ATOM 1327 NE ARG G 83 15.851 -5.901 10.025 1.00 30.66 N ATOM 1328 CZ ARG G 83 15.440 -5.304 11.139 1.00 40.53 C ATOM 1329 NH1 ARG G 83 15.384 -5.985 12.277 1.00 30.96 N ATOM 1330 NH2 ARG G 83 15.094 -4.025 11.120 1.00 51.30 N ATOM 1331 N ALA G 84 20.300 -8.364 12.530 1.00 20.60 N ATOM 1332 CA ALA G 84 20.802 -7.570 13.646 1.00 26.91 C ATOM 1333 C ALA G 84 22.195 -7.007 13.346 1.00 21.89 C ATOM 1334 O ALA G 84 22.484 -5.850 13.663 1.00 31.11 O ATOM 1335 CB ALA G 84 20.813 -8.389 14.924 1.00 27.44 C ATOM 1336 N LYS G 85 23.049 -7.818 12.729 1.00 22.30 N ATOM 1337 CA LYS G 85 24.407 -7.392 12.382 1.00 26.34 C ATOM 1338 C LYS G 85 24.426 -6.263 11.350 1.00 35.92 C ATOM 1339 O LYS G 85 25.250 -5.354 11.445 1.00 29.71 O ATOM 1340 CB LYS G 85 25.238 -8.576 11.857 1.00 19.56 C ATOM 1341 CG LYS G 85 26.708 -8.234 11.505 1.00 22.41 C ATOM 1342 CD LYS G 85 27.426 -7.569 12.690 1.00 22.20 C ATOM 1343 CE LYS G 85 28.957 -7.607 12.570 1.00 30.92 C ATOM 1344 NZ LYS G 85 29.481 -6.826 11.412 1.00 35.74 N ATOM 1345 N LEU G 86 23.526 -6.324 10.366 1.00 23.24 N ATOM 1346 CA LEU G 86 23.573 -5.391 9.231 1.00 28.85 C ATOM 1347 C LEU G 86 22.966 -4.007 9.494 1.00 33.90 C ATOM 1348 O LEU G 86 23.181 -3.070 8.720 1.00 43.36 O ATOM 1349 CB LEU G 86 22.931 -6.027 7.988 1.00 23.78 C ATOM 1350 CG LEU G 86 23.736 -7.162 7.347 1.00 39.84 C ATOM 1351 CD1 LEU G 86 22.948 -7.832 6.223 1.00 36.07 C ATOM 1352 CD2 LEU G 86 25.086 -6.658 6.845 1.00 38.36 C ATOM 1353 N LYS G 87 22.213 -3.872 10.578 1.00 34.95 N ATOM 1354 CA LYS G 87 21.529 -2.611 10.870 1.00 43.58 C ATOM 1355 C LYS G 87 22.407 -1.620 11.640 1.00 44.48 C ATOM 1356 O LYS G 87 23.250 -2.022 12.442 1.00 42.08 O ATOM 1357 CB LYS G 87 20.239 -2.877 11.641 1.00 35.07 C ATOM 1358 CG LYS G 87 19.439 -1.628 11.971 1.00 47.02 C ATOM 1359 CD LYS G 87 18.161 -1.999 12.712 1.00 60.94 C ATOM 1360 CE LYS G 87 17.587 -0.811 13.469 1.00 58.65 C ATOM 1361 NZ LYS G 87 17.342 0.343 12.564 1.00 52.19 N ATOM 1362 N ALA G 88 22.195 -0.327 11.393 1.00 46.16 N ATOM 1363 CA ALA G 88 22.979 0.738 12.026 1.00 37.67 C ATOM 1364 C ALA G 88 23.032 0.602 13.546 1.00 49.76 C ATOM 1365 O ALA G 88 22.109 0.070 14.167 1.00 53.00 O ATOM 1366 CB ALA G 88 22.427 2.112 11.633 1.00 41.30 C TER 1367 ALA G 88 HETATM 1368 CA CA A 201 1.391 2.439 49.872 1.00 13.89 CA HETATM 1369 CA CA A 202 1.870 -21.323 10.299 1.00 15.55 CA HETATM 1370 CA CA A 203 3.541 -11.943 4.129 1.00 18.64 CA HETATM 1371 CA CA A 204 8.002 -7.313 49.837 1.00 18.37 CA HETATM 1372 CA GBL A 205 -3.797 -14.076 12.060 1.00 19.21 C HETATM 1373 C GBL A 205 -2.400 -14.542 12.117 1.00 28.12 C HETATM 1374 O GBL A 205 -2.016 -15.628 12.537 1.00 28.75 O HETATM 1375 CB GBL A 205 -3.787 -12.756 11.395 1.00 26.41 C HETATM 1376 CG GBL A 205 -2.438 -12.721 10.735 1.00 32.24 C HETATM 1377 OD GBL A 205 -1.625 -13.625 11.436 1.00 35.89 O HETATM 1378 HAC1 GBL A 205 -4.417 -14.772 11.514 1.00 23.00 H HETATM 1379 HAC2 GBL A 205 -4.208 -13.989 13.055 1.00 23.00 H HETATM 1380 HBC1 GBL A 205 -3.878 -11.962 12.121 1.00 31.64 H HETATM 1381 HBC2 GBL A 205 -4.573 -12.694 10.657 1.00 31.64 H HETATM 1382 HGC1 GBL A 205 -2.029 -11.723 10.785 1.00 38.64 H HETATM 1383 HGC2 GBL A 205 -2.522 -12.997 9.695 1.00 38.64 H HETATM 1384 CA GBL A 206 3.746 -8.889 13.957 1.00 31.99 C HETATM 1385 C GBL A 206 2.504 -9.653 13.741 1.00 33.24 C HETATM 1386 O GBL A 206 2.080 -10.055 12.667 1.00 34.55 O HETATM 1387 CB GBL A 206 3.697 -8.477 15.376 1.00 34.25 C HETATM 1388 CG GBL A 206 2.785 -9.491 15.999 1.00 31.10 C HETATM 1389 OD GBL A 206 1.964 -9.962 14.970 1.00 28.24 O HETATM 1390 HAC1 GBL A 206 3.768 -8.019 13.317 1.00 38.34 H HETATM 1391 HAC2 GBL A 206 4.608 -9.513 13.773 1.00 38.34 H HETATM 1392 HBC1 GBL A 206 3.276 -7.486 15.465 1.00 41.04 H HETATM 1393 HBC2 GBL A 206 4.679 -8.517 15.824 1.00 41.04 H HETATM 1394 HGC1 GBL A 206 3.366 -10.307 16.404 1.00 37.27 H HETATM 1395 HGC2 GBL A 206 2.191 -9.036 16.778 1.00 37.27 H HETATM 1396 CA GBL A 207 15.215 -8.105 44.861 1.00 48.86 C HETATM 1397 C GBL A 207 15.889 -6.796 44.966 1.00 41.48 C HETATM 1398 O GBL A 207 16.996 -6.510 44.529 1.00 39.73 O HETATM 1399 CB GBL A 207 14.296 -8.173 46.014 1.00 41.74 C HETATM 1400 CG GBL A 207 14.023 -6.719 46.261 1.00 29.53 C HETATM 1401 OD GBL A 207 15.217 -6.075 45.925 1.00 37.14 O HETATM 1402 HAC1 GBL A 207 14.663 -8.182 43.936 1.00 58.58 H HETATM 1403 HAC2 GBL A 207 15.928 -8.917 44.887 1.00 58.58 H HETATM 1404 HBC1 GBL A 207 14.777 -8.627 46.867 1.00 50.04 H HETATM 1405 HBC2 GBL A 207 13.389 -8.698 45.753 1.00 50.04 H HETATM 1406 HGC1 GBL A 207 13.216 -6.373 45.631 1.00 35.38 H HETATM 1407 HGC2 GBL A 207 13.787 -6.552 47.302 1.00 35.38 H HETATM 1408 CA GBL G 101 20.750 -15.246 6.691 1.00 35.64 C HETATM 1409 C GBL G 101 21.394 -16.377 7.383 1.00 39.82 C HETATM 1410 O GBL G 101 20.805 -17.276 7.968 1.00 47.73 O HETATM 1411 CB GBL G 101 21.848 -14.532 6.009 1.00 43.17 C HETATM 1412 CG GBL G 101 22.896 -15.600 5.868 1.00 41.07 C HETATM 1413 OD GBL G 101 22.718 -16.417 6.990 1.00 48.32 O HETATM 1414 HAC1 GBL G 101 20.262 -14.597 7.404 1.00 42.72 H HETATM 1415 HAC2 GBL G 101 20.037 -15.611 5.966 1.00 42.72 H HETATM 1416 HBC1 GBL G 101 22.212 -13.718 6.619 1.00 51.75 H HETATM 1417 HBC2 GBL G 101 21.530 -14.176 5.040 1.00 51.75 H HETATM 1418 HGC1 GBL G 101 22.739 -16.165 4.961 1.00 49.24 H HETATM 1419 HGC2 GBL G 101 23.883 -15.161 5.873 1.00 49.24 H HETATM 1420 O HOH A 301 10.758 -8.073 42.577 1.00 17.40 O HETATM 1421 O HOH A 302 10.163 1.238 49.158 1.00 18.22 O HETATM 1422 O HOH A 303 0.146 -13.007 15.031 1.00 19.09 O HETATM 1423 O HOH A 304 0.538 -19.322 10.727 1.00 17.79 O HETATM 1424 O HOH A 305 0.255 -16.434 44.109 1.00 19.19 O HETATM 1425 O HOH A 306 10.797 -23.685 -8.428 1.00 16.72 O HETATM 1426 O HOH A 307 7.876 -22.185 15.297 1.00 17.16 O HETATM 1427 O HOH A 308 3.953 8.091 46.453 1.00 21.62 O HETATM 1428 O HOH A 309 -8.284 -1.963 45.400 1.00 20.71 O HETATM 1429 O HOH A 310 -0.775 -6.137 50.176 1.00 21.60 O HETATM 1430 O HOH A 311 6.708 -4.782 20.582 1.00 30.79 O HETATM 1431 O HOH A 312 2.791 -1.725 54.410 1.00 19.56 O HETATM 1432 O HOH A 313 3.699 -5.032 14.155 1.00 30.66 O HETATM 1433 O HOH A 314 21.034 10.626 34.493 1.00 28.29 O HETATM 1434 O HOH A 315 4.361 -20.018 1.982 1.00 24.83 O HETATM 1435 O HOH A 316 2.718 -13.659 2.710 1.00 20.11 O HETATM 1436 O HOH A 317 17.459 -16.902 -1.497 1.00 18.60 O HETATM 1437 O HOH A 318 3.999 -7.736 9.592 1.00 25.78 O HETATM 1438 O HOH A 319 21.112 -6.484 -0.011 1.00 41.68 O HETATM 1439 O HOH A 320 5.265 -5.872 7.751 1.00 20.91 O HETATM 1440 O HOH A 321 4.474 -3.796 54.340 1.00 22.45 O HETATM 1441 O HOH A 322 0.292 -2.488 54.861 1.00 26.43 O HETATM 1442 O HOH A 323 -0.334 -9.432 50.261 1.00 28.54 O HETATM 1443 O HOH A 324 5.227 -18.495 -1.230 1.00 30.15 O HETATM 1444 O HOH A 325 8.579 6.901 44.824 1.00 27.44 O HETATM 1445 O HOH A 326 5.085 -10.610 -0.500 1.00 25.65 O HETATM 1446 O HOH A 327 1.443 -12.766 12.723 1.00 18.47 O HETATM 1447 O HOH A 328 2.636 -5.018 16.586 1.00 35.55 O HETATM 1448 O HOH A 329 6.752 -14.261 46.626 1.00 31.42 O HETATM 1449 O HOH A 330 -3.364 3.623 49.791 1.00 28.90 O HETATM 1450 O HOH A 331 15.418 2.067 32.809 1.00 37.67 O HETATM 1451 O HOH A 332 14.508 -6.145 -4.772 1.00 29.16 O HETATM 1452 O HOH A 333 4.923 -3.159 8.672 1.00 27.94 O HETATM 1453 O HOH A 334 12.597 -11.831 23.678 1.00 27.36 O HETATM 1454 O HOH A 335 -3.608 -11.678 6.305 1.00 31.77 O HETATM 1455 O HOH A 336 3.701 -12.807 49.019 1.00 24.26 O HETATM 1456 O HOH A 337 -9.060 3.425 39.873 1.00 30.68 O HETATM 1457 O HOH A 338 -11.234 -10.131 36.747 1.00 31.16 O HETATM 1458 O HOH A 339 1.970 -15.153 41.192 1.00 27.21 O HETATM 1459 O HOH A 340 4.252 -1.466 6.226 1.00 28.35 O HETATM 1460 O HOH A 341 -4.714 -22.483 13.234 1.00 33.92 O HETATM 1461 O HOH A 342 2.844 -3.718 10.090 1.00 27.25 O HETATM 1462 O HOH A 343 -2.730 0.348 51.252 1.00 26.66 O HETATM 1463 O HOH A 344 13.082 -11.795 27.037 1.00 42.09 O HETATM 1464 O HOH A 345 19.707 7.762 31.934 1.00 26.13 O HETATM 1465 O HOH A 346 -10.732 -4.606 40.598 1.00 22.69 O HETATM 1466 O HOH A 347 -3.748 9.247 47.923 1.00 39.78 O HETATM 1467 O HOH A 348 -10.819 -6.328 43.537 1.00 27.10 O HETATM 1468 O HOH A 349 3.425 -13.813 -0.101 1.00 30.68 O HETATM 1469 O HOH A 350 24.369 -11.664 6.265 1.00 40.42 O HETATM 1470 O HOH A 351 16.325 -6.424 37.299 1.00 35.87 O HETATM 1471 O HOH A 352 -3.221 -12.347 38.319 1.00 31.03 O HETATM 1472 O HOH A 353 12.168 -3.115 52.203 1.00 34.55 O HETATM 1473 O HOH A 354 16.615 -25.213 4.834 1.00 24.16 O HETATM 1474 O HOH A 355 -14.296 -3.569 41.450 1.00 32.84 O HETATM 1475 O HOH A 356 9.481 -5.796 50.985 1.00 19.48 O HETATM 1476 O HOH A 357 7.160 6.134 48.356 1.00 30.20 O HETATM 1477 O HOH A 358 -4.058 -15.361 44.775 1.00 27.95 O HETATM 1478 O HOH A 359 21.487 -21.793 -4.475 1.00 33.82 O HETATM 1479 O HOH A 360 15.857 -2.540 32.062 1.00 32.18 O HETATM 1480 O HOH A 361 11.245 -28.756 0.914 1.00 22.91 O HETATM 1481 O HOH A 362 4.931 -17.693 20.430 1.00 28.40 O HETATM 1482 O HOH A 363 23.362 -0.199 38.935 1.00 36.61 O HETATM 1483 O HOH A 364 11.128 3.783 33.567 1.00 46.42 O HETATM 1484 O HOH A 365 4.821 -14.951 48.148 1.00 33.97 O HETATM 1485 O HOH A 366 -10.033 -7.677 34.578 1.00 35.09 O HETATM 1486 O HOH A 367 9.856 -19.470 -2.321 1.00 27.99 O HETATM 1487 O HOH A 368 9.039 3.116 53.507 1.00 29.46 O HETATM 1488 O HOH A 369 -5.330 -10.551 49.349 1.00 33.56 O HETATM 1489 O HOH A 370 9.369 -23.579 17.300 1.00 32.58 O HETATM 1490 O HOH A 371 11.296 -1.202 27.197 1.00 35.76 O HETATM 1491 O HOH A 372 15.742 15.078 32.602 1.00 49.24 O HETATM 1492 O HOH A 373 16.583 -17.769 -4.708 1.00 30.20 O HETATM 1493 O HOH A 374 7.004 -15.931 49.922 1.00 37.79 O HETATM 1494 O HOH A 375 13.118 -13.734 -4.136 1.00 35.21 O HETATM 1495 O HOH A 376 6.454 -27.200 2.154 1.00 24.85 O HETATM 1496 O HOH A 377 -0.926 -18.434 16.308 1.00 33.01 O HETATM 1497 O HOH A 378 13.746 3.857 33.897 1.00 36.73 O HETATM 1498 O HOH G 201 15.100 -5.909 14.931 1.00 26.21 O HETATM 1499 O HOH G 202 16.353 -21.062 15.178 1.00 26.19 O HETATM 1500 O HOH G 203 15.638 -9.739 20.438 1.00 17.83 O HETATM 1501 O HOH G 204 16.720 -4.523 7.972 1.00 32.30 O HETATM 1502 O HOH G 205 15.449 -22.885 12.702 1.00 32.71 O HETATM 1503 O HOH G 206 26.555 -20.334 11.293 1.00 23.73 O HETATM 1504 O HOH G 207 25.467 -13.843 9.113 1.00 26.50 O HETATM 1505 O HOH G 208 24.841 -10.092 8.372 1.00 28.70 O HETATM 1506 O HOH G 209 18.268 -23.395 5.094 1.00 34.81 O HETATM 1507 O HOH G 210 17.248 -8.291 13.551 1.00 28.41 O CONECT 161 1368 CONECT 178 1368 CONECT 190 1368 CONECT 199 1368 CONECT 245 1368 CONECT 246 1368 CONECT 446 1371 CONECT 459 1371 CONECT 471 1371 CONECT 480 1371 CONECT 530 1371 CONECT 531 1371 CONECT 765 1370 CONECT 782 1370 CONECT 794 1370 CONECT 803 1370 CONECT 843 1370 CONECT 844 1370 CONECT 1056 1369 CONECT 1072 1369 CONECT 1084 1369 CONECT 1093 1369 CONECT 1142 1369 CONECT 1143 1369 CONECT 1368 161 178 190 199 CONECT 1368 245 246 CONECT 1369 1056 1072 1084 1093 CONECT 1369 1142 1143 1423 CONECT 1370 765 782 794 803 CONECT 1370 843 844 1435 CONECT 1371 446 459 471 480 CONECT 1371 530 531 1475 CONECT 1372 1373 1375 1378 1379 CONECT 1373 1372 1374 1377 CONECT 1374 1373 CONECT 1375 1372 1376 1380 1381 CONECT 1376 1375 1377 1382 1383 CONECT 1377 1373 1376 CONECT 1378 1372 CONECT 1379 1372 CONECT 1380 1375 CONECT 1381 1375 CONECT 1382 1376 CONECT 1383 1376 CONECT 1384 1385 1387 1390 1391 CONECT 1385 1384 1386 1389 CONECT 1386 1385 CONECT 1387 1384 1388 1392 1393 CONECT 1388 1387 1389 1394 1395 CONECT 1389 1385 1388 CONECT 1390 1384 CONECT 1391 1384 CONECT 1392 1387 CONECT 1393 1387 CONECT 1394 1388 CONECT 1395 1388 CONECT 1396 1397 1399 1402 1403 CONECT 1397 1396 1398 1401 CONECT 1398 1397 CONECT 1399 1396 1400 1404 1405 CONECT 1400 1399 1401 1406 1407 CONECT 1401 1397 1400 CONECT 1402 1396 CONECT 1403 1396 CONECT 1404 1399 CONECT 1405 1399 CONECT 1406 1400 CONECT 1407 1400 CONECT 1408 1409 1411 1414 1415 CONECT 1409 1408 1410 1413 CONECT 1410 1409 CONECT 1411 1408 1412 1416 1417 CONECT 1412 1411 1413 1418 1419 CONECT 1413 1409 1412 CONECT 1414 1408 CONECT 1415 1408 CONECT 1416 1411 CONECT 1417 1411 CONECT 1418 1412 CONECT 1419 1412 CONECT 1423 1369 CONECT 1435 1370 CONECT 1475 1371 MASTER 306 0 8 8 2 0 15 6 1426 2 83 14 END
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Entry Information
PDB ID
4ehq
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
Calmodulin
Ligand Name
20-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem. Vol. 287: pp. 43030-43041
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96D31
P0DP29
Entrez Gene ID
NCBI Entrez Gene ID:
84876
24242
24244
50663
ASD
Information of known allosteric effects of PDB entries
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