HEADER ANTIVIRAL PROTEIN 16-JAN-25 9MW5 TITLE D1 HERPES VIRUS SIMPLEX NEUTRALIZING NANOBODY BOUND TO HSV TITLE 2 GLYCOPROTEIN GB COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN B; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: GB; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: D1 NEUTRALIZING NANOBODY; COMPND 8 CHAIN: D, E, F; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: HEK293; SOURCE 6 GENE: GB, UL27; SOURCE 7 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 8 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 12 ORGANISM_COMMON: HUMAN; SOURCE 13 ORGANISM_TAXID: 9606; SOURCE 14 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 15 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 17 EXPRESSION_SYSTEM_CELL_LINE: HEK293 KEYWDS NEUTRALIZING ANTIBODY, ANTIVIRAL PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR H.VIADIU,E.ABERNATHY,C.V.LEE,M.HUNG,Y.YU,W.XING,X.YU REVDAT 1 13-AUG-25 9MW5 0 JRNL AUTH C.V.LEE,H.VIADIU,A.KALAMKAR,D.I.BERNSTEIN,A.PAE,X.YU,S.WONG, JRNL AUTH 2 F.J.BRAVO,S.DING,E.SETO,M.HUNG,Y.YU,W.XING,G.A.PAPALIA, JRNL AUTH 3 W.KAN,B.CARR,M.THOMAS,L.TONG,P.DESAI,N.JARROUSSE,A.MERCIER, JRNL AUTH 4 M.M.HOLDORF,S.P.FLETCHER,E.ABERNATHY JRNL TITL IDENTIFICATION AND ENGINEERING OF POTENT BISPECIFIC JRNL TITL 2 ANTIBODIES THAT PROTECT AGAINST HERPES SIMPLEX VIRUS JRNL TITL 3 RECURRENT DISEASE. JRNL REF CELL REP V. 44 16063 2025 JRNL REFN ESSN 2211-1247 JRNL PMID 40716063 JRNL DOI 10.1016/J.CELREP.2025.116063 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC, PHENIX, EPU, CRYOSPARC, REMARK 3 CRYOSPARC, CRYOSPARC, CRYOSPARC, REMARK 3 CRYOSPARC REMARK 3 RECONSTRUCTION SCHEMA : FOURIER SPACE REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 2.100 REMARK 3 NUMBER OF PARTICLES : 182131 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9MW5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JAN-25. REMARK 100 THE DEPOSITION ID IS D_1000291930. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : ONE D1 NEUTRALIZING NANOBODY REMARK 245 BOUND TO EACH MONOMER OF THE REMARK 245 HSV GLYCOPROTEIN B TRIMER REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 2.00 REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.40 REMARK 245 SAMPLE DETAILS : THERE ARE 6 MOLECULES IN THE REMARK 245 COMPLEX. A TRIMER OF HSV GLYCOPROTEIN B AND ONE D1 NEUTRALIZING REMARK 245 NANOBODY BOUND TO EACH GLYCOPROTEIN B MONOMER. REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : TFS KRIOS REMARK 245 DETECTOR TYPE : TFS FALCON 4I (4K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 600.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 1500.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : 2.70 REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 5200.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 165000 REMARK 245 CALIBRATED MAGNIFICATION : 165000 REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. 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: HEXAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F 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 28 REMARK 465 PRO A 29 REMARK 465 ALA A 30 REMARK 465 ALA A 31 REMARK 465 PRO A 32 REMARK 465 ALA A 33 REMARK 465 ALA A 34 REMARK 465 PRO A 35 REMARK 465 ARG A 36 REMARK 465 ALA A 37 REMARK 465 SER A 38 REMARK 465 GLY A 39 REMARK 465 GLY A 40 REMARK 465 VAL A 41 REMARK 465 ALA A 42 REMARK 465 ALA A 43 REMARK 465 THR A 44 REMARK 465 VAL A 45 REMARK 465 ALA A 46 REMARK 465 ALA A 47 REMARK 465 ASN A 48 REMARK 465 GLY A 49 REMARK 465 GLY A 50 REMARK 465 PRO A 51 REMARK 465 ALA A 52 REMARK 465 SER A 53 REMARK 465 ARG A 54 REMARK 465 PRO A 55 REMARK 465 PRO A 56 REMARK 465 PRO A 57 REMARK 465 VAL A 58 REMARK 465 PRO A 59 REMARK 465 SER A 60 REMARK 465 PRO A 61 REMARK 465 ALA A 62 REMARK 465 THR A 63 REMARK 465 THR A 64 REMARK 465 LYS A 65 REMARK 465 ALA A 66 REMARK 465 ARG A 67 REMARK 465 LYS A 68 REMARK 465 ARG A 69 REMARK 465 LYS A 70 REMARK 465 THR A 71 REMARK 465 LYS A 72 REMARK 465 LYS A 73 REMARK 465 PRO A 74 REMARK 465 PRO A 75 REMARK 465 LYS A 76 REMARK 465 ARG A 77 REMARK 465 PRO A 78 REMARK 465 GLU A 79 REMARK 465 ALA A 80 REMARK 465 THR A 81 REMARK 465 PRO A 82 REMARK 465 PRO A 83 REMARK 465 PRO A 84 REMARK 465 ASP A 85 REMARK 465 ALA A 86 REMARK 465 ASN A 87 REMARK 465 ALA A 88 REMARK 465 THR A 89 REMARK 465 VAL A 90 REMARK 465 ALA A 91 REMARK 465 ALA A 92 REMARK 465 GLY A 93 REMARK 465 HIS A 94 REMARK 465 ALA A 95 REMARK 465 THR A 96 REMARK 465 LEU A 97 REMARK 465 ARG A 98 REMARK 465 ALA A 99 REMARK 465 HIS A 100 REMARK 465 LEU A 101 REMARK 465 ARG A 102 REMARK 465 GLU A 103 REMARK 465 ILE A 104 REMARK 465 LYS A 105 REMARK 465 VAL A 106 REMARK 465 GLU A 107 REMARK 465 ASN A 108 REMARK 465 ALA A 109 REMARK 465 GLU A 461A REMARK 465 LEU A 461B REMARK 465 TYR A 461C REMARK 465 VAL A 461D REMARK 465 ARG A 461E REMARK 465 GLU A 461F REMARK 465 TYR A 461G REMARK 465 MET A 461H REMARK 465 ARG A 461I REMARK 465 GLU A 461J REMARK 465 GLN A 461K REMARK 465 ASP A 461L REMARK 465 ARG A 461M REMARK 465 LYS A 461N REMARK 465 PRO A 461O REMARK 465 ARG A 461P REMARK 465 ASN A 461Q REMARK 465 ALA A 461R REMARK 465 THR A 461S REMARK 465 PRO A 461T REMARK 465 ALA A 461U REMARK 465 PRO A 461V REMARK 465 LEU A 461W REMARK 465 ARG A 461X REMARK 465 GLU A 461Y REMARK 465 ALA A 461Z REMARK 465 PRO A 462A REMARK 465 SER A 462B REMARK 465 ALA A 462C REMARK 465 ASN A 462D REMARK 465 ALA A 462E REMARK 465 ARG A 724 REMARK 465 ALA A 725 REMARK 465 ASP A 726 REMARK 465 ALA A 727 REMARK 465 ASN A 728 REMARK 465 ALA A 729 REMARK 465 ALA A 730 REMARK 465 GLY A 731 REMARK 465 GLY A 732 REMARK 465 GLY A 733 REMARK 465 SER A 734 REMARK 465 HIS A 735 REMARK 465 HIS A 736 REMARK 465 HIS A 737 REMARK 465 HIS A 738 REMARK 465 HIS A 739 REMARK 465 HIS A 740 REMARK 465 HIS A 741 REMARK 465 HIS A 742 REMARK 465 GLY A 743 REMARK 465 SER A 744 REMARK 465 ASP A 745 REMARK 465 TYR A 746 REMARK 465 LYS A 747 REMARK 465 ASP A 748 REMARK 465 ASP A 749 REMARK 465 ASP A 750 REMARK 465 ASP A 751 REMARK 465 LYS A 752 REMARK 465 ALA B 28 REMARK 465 PRO B 29 REMARK 465 ALA B 30 REMARK 465 ALA B 31 REMARK 465 PRO B 32 REMARK 465 ALA B 33 REMARK 465 ALA B 34 REMARK 465 PRO B 35 REMARK 465 ARG B 36 REMARK 465 ALA B 37 REMARK 465 SER B 38 REMARK 465 GLY B 39 REMARK 465 GLY B 40 REMARK 465 VAL B 41 REMARK 465 ALA B 42 REMARK 465 ALA B 43 REMARK 465 THR B 44 REMARK 465 VAL B 45 REMARK 465 ALA B 46 REMARK 465 ALA B 47 REMARK 465 ASN B 48 REMARK 465 GLY B 49 REMARK 465 GLY B 50 REMARK 465 PRO B 51 REMARK 465 ALA B 52 REMARK 465 SER B 53 REMARK 465 ARG B 54 REMARK 465 PRO B 55 REMARK 465 PRO B 56 REMARK 465 PRO B 57 REMARK 465 VAL B 58 REMARK 465 PRO B 59 REMARK 465 SER B 60 REMARK 465 PRO B 61 REMARK 465 ALA B 62 REMARK 465 THR B 63 REMARK 465 THR B 64 REMARK 465 LYS B 65 REMARK 465 ALA B 66 REMARK 465 ARG B 67 REMARK 465 LYS B 68 REMARK 465 ARG B 69 REMARK 465 LYS B 70 REMARK 465 THR B 71 REMARK 465 LYS B 72 REMARK 465 LYS B 73 REMARK 465 PRO B 74 REMARK 465 PRO B 75 REMARK 465 LYS B 76 REMARK 465 ARG B 77 REMARK 465 PRO B 78 REMARK 465 GLU B 79 REMARK 465 ALA B 80 REMARK 465 THR B 81 REMARK 465 PRO B 82 REMARK 465 PRO B 83 REMARK 465 PRO B 84 REMARK 465 ASP B 85 REMARK 465 ALA B 86 REMARK 465 ASN B 87 REMARK 465 ALA B 88 REMARK 465 THR B 89 REMARK 465 VAL B 90 REMARK 465 ALA B 91 REMARK 465 ALA B 92 REMARK 465 GLY B 93 REMARK 465 HIS B 94 REMARK 465 ALA B 95 REMARK 465 THR B 96 REMARK 465 LEU B 97 REMARK 465 ARG B 98 REMARK 465 ALA B 99 REMARK 465 HIS B 100 REMARK 465 LEU B 101 REMARK 465 ARG B 102 REMARK 465 GLU B 103 REMARK 465 ILE B 104 REMARK 465 LYS B 105 REMARK 465 VAL B 106 REMARK 465 GLU B 107 REMARK 465 ASN B 108 REMARK 465 ALA B 109 REMARK 465 GLU B 461A REMARK 465 LEU B 461B REMARK 465 TYR B 461C REMARK 465 VAL B 461D REMARK 465 ARG B 461E REMARK 465 GLU B 461F REMARK 465 TYR B 461G REMARK 465 MET B 461H REMARK 465 ARG B 461I REMARK 465 GLU B 461J REMARK 465 GLN B 461K REMARK 465 ASP B 461L REMARK 465 ARG B 461M REMARK 465 LYS B 461N REMARK 465 PRO B 461O REMARK 465 ARG B 461P REMARK 465 ASN B 461Q REMARK 465 ALA B 461R REMARK 465 THR B 461S REMARK 465 PRO B 461T REMARK 465 ALA B 461U REMARK 465 PRO B 461V REMARK 465 LEU B 461W REMARK 465 ARG B 461X REMARK 465 GLU B 461Y REMARK 465 ALA B 461Z REMARK 465 PRO B 462A REMARK 465 SER B 462B REMARK 465 ALA B 462C REMARK 465 ASN B 462D REMARK 465 ALA B 462E REMARK 465 ARG B 724 REMARK 465 ALA B 725 REMARK 465 ASP B 726 REMARK 465 ALA B 727 REMARK 465 ASN B 728 REMARK 465 ALA B 729 REMARK 465 ALA B 730 REMARK 465 GLY B 731 REMARK 465 GLY B 732 REMARK 465 GLY B 733 REMARK 465 SER B 734 REMARK 465 HIS B 735 REMARK 465 HIS B 736 REMARK 465 HIS B 737 REMARK 465 HIS B 738 REMARK 465 HIS B 739 REMARK 465 HIS B 740 REMARK 465 HIS B 741 REMARK 465 HIS B 742 REMARK 465 GLY B 743 REMARK 465 SER B 744 REMARK 465 ASP B 745 REMARK 465 TYR B 746 REMARK 465 LYS B 747 REMARK 465 ASP B 748 REMARK 465 ASP B 749 REMARK 465 ASP B 750 REMARK 465 ASP B 751 REMARK 465 LYS B 752 REMARK 465 ALA C 28 REMARK 465 PRO C 29 REMARK 465 ALA C 30 REMARK 465 ALA C 31 REMARK 465 PRO C 32 REMARK 465 ALA C 33 REMARK 465 ALA C 34 REMARK 465 PRO C 35 REMARK 465 ARG C 36 REMARK 465 ALA C 37 REMARK 465 SER C 38 REMARK 465 GLY C 39 REMARK 465 GLY C 40 REMARK 465 VAL C 41 REMARK 465 ALA C 42 REMARK 465 ALA C 43 REMARK 465 THR C 44 REMARK 465 VAL C 45 REMARK 465 ALA C 46 REMARK 465 ALA C 47 REMARK 465 ASN C 48 REMARK 465 GLY C 49 REMARK 465 GLY C 50 REMARK 465 PRO C 51 REMARK 465 ALA C 52 REMARK 465 SER C 53 REMARK 465 ARG C 54 REMARK 465 PRO C 55 REMARK 465 PRO C 56 REMARK 465 PRO C 57 REMARK 465 VAL C 58 REMARK 465 PRO C 59 REMARK 465 SER C 60 REMARK 465 PRO C 61 REMARK 465 ALA C 62 REMARK 465 THR C 63 REMARK 465 THR C 64 REMARK 465 LYS C 65 REMARK 465 ALA C 66 REMARK 465 ARG C 67 REMARK 465 LYS C 68 REMARK 465 ARG C 69 REMARK 465 LYS C 70 REMARK 465 THR C 71 REMARK 465 LYS C 72 REMARK 465 LYS C 73 REMARK 465 PRO C 74 REMARK 465 PRO C 75 REMARK 465 LYS C 76 REMARK 465 ARG C 77 REMARK 465 PRO C 78 REMARK 465 GLU C 79 REMARK 465 ALA C 80 REMARK 465 THR C 81 REMARK 465 PRO C 82 REMARK 465 PRO C 83 REMARK 465 PRO C 84 REMARK 465 ASP C 85 REMARK 465 ALA C 86 REMARK 465 ASN C 87 REMARK 465 ALA C 88 REMARK 465 THR C 89 REMARK 465 VAL C 90 REMARK 465 ALA C 91 REMARK 465 ALA C 92 REMARK 465 GLY C 93 REMARK 465 HIS C 94 REMARK 465 ALA C 95 REMARK 465 THR C 96 REMARK 465 LEU C 97 REMARK 465 ARG C 98 REMARK 465 ALA C 99 REMARK 465 HIS C 100 REMARK 465 LEU C 101 REMARK 465 ARG C 102 REMARK 465 GLU C 103 REMARK 465 ILE C 104 REMARK 465 LYS C 105 REMARK 465 VAL C 106 REMARK 465 GLU C 107 REMARK 465 ASN C 108 REMARK 465 ALA C 109 REMARK 465 GLU C 461A REMARK 465 LEU C 461B REMARK 465 TYR C 461C REMARK 465 VAL C 461D REMARK 465 ARG C 461E REMARK 465 GLU C 461F REMARK 465 TYR C 461G REMARK 465 MET C 461H REMARK 465 ARG C 461I REMARK 465 GLU C 461J REMARK 465 GLN C 461K REMARK 465 ASP C 461L REMARK 465 ARG C 461M REMARK 465 LYS C 461N REMARK 465 PRO C 461O REMARK 465 ARG C 461P REMARK 465 ASN C 461Q REMARK 465 ALA C 461R REMARK 465 THR C 461S REMARK 465 PRO C 461T REMARK 465 ALA C 461U REMARK 465 PRO C 461V REMARK 465 LEU C 461W REMARK 465 ARG C 461X REMARK 465 GLU C 461Y REMARK 465 ALA C 461Z REMARK 465 PRO C 462A REMARK 465 SER C 462B REMARK 465 ALA C 462C REMARK 465 ASN C 462D REMARK 465 ALA C 462E REMARK 465 ARG C 724 REMARK 465 ALA C 725 REMARK 465 ASP C 726 REMARK 465 ALA C 727 REMARK 465 ASN C 728 REMARK 465 ALA C 729 REMARK 465 ALA C 730 REMARK 465 GLY C 731 REMARK 465 GLY C 732 REMARK 465 GLY C 733 REMARK 465 SER C 734 REMARK 465 HIS C 735 REMARK 465 HIS C 736 REMARK 465 HIS C 737 REMARK 465 HIS C 738 REMARK 465 HIS C 739 REMARK 465 HIS C 740 REMARK 465 HIS C 741 REMARK 465 HIS C 742 REMARK 465 GLY C 743 REMARK 465 SER C 744 REMARK 465 ASP C 745 REMARK 465 TYR C 746 REMARK 465 LYS C 747 REMARK 465 ASP C 748 REMARK 465 ASP C 749 REMARK 465 ASP C 750 REMARK 465 ASP C 751 REMARK 465 LYS C 752 REMARK 465 HIS D 126 REMARK 465 HIS D 127 REMARK 465 HIS D 128 REMARK 465 HIS D 129 REMARK 465 HIS D 130 REMARK 465 HIS D 131 REMARK 465 HIS E 126 REMARK 465 HIS E 127 REMARK 465 HIS E 128 REMARK 465 HIS E 129 REMARK 465 HIS E 130 REMARK 465 HIS E 131 REMARK 465 HIS F 126 REMARK 465 HIS F 127 REMARK 465 HIS F 128 REMARK 465 HIS F 129 REMARK 465 HIS F 130 REMARK 465 HIS F 131 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 225 18.66 56.91 REMARK 500 ARG B 225 17.85 56.33 REMARK 500 TYR B 296 51.63 -90.79 REMARK 500 ARG C 225 18.52 56.71 REMARK 500 TYR C 296 55.09 -90.21 REMARK 500 VAL D 48 -62.55 -121.93 REMARK 500 ALA D 92 -167.18 -164.82 REMARK 500 VAL E 48 -64.82 -120.93 REMARK 500 ALA E 49 142.40 -171.26 REMARK 500 ALA E 92 -167.82 -164.06 REMARK 500 ALA F 92 -169.54 -167.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 523 0.14 SIDE CHAIN REMARK 500 ARG B 523 0.11 SIDE CHAIN REMARK 500 ARG C 427 0.10 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A1955 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH A1956 DISTANCE = 5.88 ANGSTROMS REMARK 525 HOH A1957 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH A1958 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH A1959 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH A1960 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH A1961 DISTANCE = 6.12 ANGSTROMS REMARK 525 HOH A1962 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH A1963 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH A1964 DISTANCE = 6.47 ANGSTROMS REMARK 525 HOH A1965 DISTANCE = 7.28 ANGSTROMS REMARK 525 HOH A1966 DISTANCE = 7.29 ANGSTROMS REMARK 525 HOH A1967 DISTANCE = 7.63 ANGSTROMS REMARK 525 HOH A1968 DISTANCE = 7.69 ANGSTROMS REMARK 525 HOH A1969 DISTANCE = 7.83 ANGSTROMS REMARK 525 HOH A1970 DISTANCE = 7.86 ANGSTROMS REMARK 525 HOH A1971 DISTANCE = 8.05 ANGSTROMS REMARK 525 HOH A1972 DISTANCE = 8.09 ANGSTROMS REMARK 525 HOH A1973 DISTANCE = 8.13 ANGSTROMS REMARK 525 HOH A1974 DISTANCE = 8.23 ANGSTROMS REMARK 525 HOH A1975 DISTANCE = 9.72 ANGSTROMS REMARK 525 HOH A1976 DISTANCE = 9.93 ANGSTROMS REMARK 525 HOH A1977 DISTANCE = 10.55 ANGSTROMS REMARK 525 HOH A1978 DISTANCE = 10.66 ANGSTROMS REMARK 525 HOH B1956 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH B1957 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH B1958 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH B1959 DISTANCE = 5.92 ANGSTROMS REMARK 525 HOH B1960 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH B1961 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH B1962 DISTANCE = 6.21 ANGSTROMS REMARK 525 HOH B1963 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH B1964 DISTANCE = 6.28 ANGSTROMS REMARK 525 HOH B1965 DISTANCE = 6.47 ANGSTROMS REMARK 525 HOH B1966 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH B1967 DISTANCE = 6.66 ANGSTROMS REMARK 525 HOH B1968 DISTANCE = 6.68 ANGSTROMS REMARK 525 HOH B1969 DISTANCE = 7.45 ANGSTROMS REMARK 525 HOH B1970 DISTANCE = 7.65 ANGSTROMS REMARK 525 HOH B1971 DISTANCE = 7.96 ANGSTROMS REMARK 525 HOH B1972 DISTANCE = 8.00 ANGSTROMS REMARK 525 HOH B1973 DISTANCE = 8.13 ANGSTROMS REMARK 525 HOH B1974 DISTANCE = 8.45 ANGSTROMS REMARK 525 HOH B1975 DISTANCE = 9.26 ANGSTROMS REMARK 525 HOH B1976 DISTANCE = 9.36 ANGSTROMS REMARK 525 HOH B1977 DISTANCE = 10.03 ANGSTROMS REMARK 525 HOH C1985 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH C1986 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH C1987 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH C1988 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH C1989 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH C1990 DISTANCE = 6.31 ANGSTROMS REMARK 525 HOH C1991 DISTANCE = 6.51 ANGSTROMS REMARK 525 HOH C1992 DISTANCE = 7.03 ANGSTROMS REMARK 525 HOH C1993 DISTANCE = 7.32 ANGSTROMS REMARK 525 HOH C1994 DISTANCE = 7.59 ANGSTROMS REMARK 525 HOH C1995 DISTANCE = 7.67 ANGSTROMS REMARK 525 HOH C1996 DISTANCE = 7.83 ANGSTROMS REMARK 525 HOH C1997 DISTANCE = 7.93 ANGSTROMS REMARK 525 HOH C1998 DISTANCE = 7.93 ANGSTROMS REMARK 525 HOH C1999 DISTANCE = 7.98 ANGSTROMS REMARK 525 HOH C2000 DISTANCE = 8.28 ANGSTROMS REMARK 525 HOH C2001 DISTANCE = 10.24 ANGSTROMS REMARK 525 HOH D 891 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH D 892 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH D 893 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH D 894 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH D 895 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH D 896 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH D 897 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH D 898 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH D 899 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH D 900 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH D 901 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH D 902 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH D 903 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH D 904 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH D 905 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH D 906 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH D 907 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH D 908 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH D 909 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH D 910 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH D 911 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH D 912 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH D 913 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH D 914 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH D 915 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH D 916 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH D 917 DISTANCE = 6.08 ANGSTROMS REMARK 525 HOH D 918 DISTANCE = 6.09 ANGSTROMS REMARK 525 HOH D 919 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH D 920 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH D 921 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH D 922 DISTANCE = 6.16 ANGSTROMS REMARK 525 HOH D 923 DISTANCE = 6.16 ANGSTROMS REMARK 525 HOH D 924 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH D 925 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH D 926 DISTANCE = 6.25 ANGSTROMS REMARK 525 HOH D 927 DISTANCE = 6.27 ANGSTROMS REMARK 525 HOH D 928 DISTANCE = 6.29 ANGSTROMS REMARK 525 HOH D 929 DISTANCE = 6.31 ANGSTROMS REMARK 525 HOH D 930 DISTANCE = 6.33 ANGSTROMS REMARK 525 HOH D 931 DISTANCE = 6.35 ANGSTROMS REMARK 525 HOH D 932 DISTANCE = 6.38 ANGSTROMS REMARK 525 HOH D 933 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH D 934 DISTANCE = 6.46 ANGSTROMS REMARK 525 HOH D 935 DISTANCE = 6.50 ANGSTROMS REMARK 525 HOH D 936 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH D 937 DISTANCE = 6.54 ANGSTROMS REMARK 525 HOH D 938 DISTANCE = 6.59 ANGSTROMS REMARK 525 HOH D 939 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH D 940 DISTANCE = 6.60 ANGSTROMS REMARK 525 HOH D 941 DISTANCE = 6.67 ANGSTROMS REMARK 525 HOH D 942 DISTANCE = 6.70 ANGSTROMS REMARK 525 HOH D 943 DISTANCE = 6.78 ANGSTROMS REMARK 525 HOH D 944 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH D 945 DISTANCE = 7.18 ANGSTROMS REMARK 525 HOH E 894 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH E 895 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH E 896 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH E 897 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH E 898 DISTANCE = 5.82 ANGSTROMS REMARK 525 HOH E 899 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH E 900 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH E 901 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH E 902 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH E 903 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH E 904 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH E 905 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH E 906 DISTANCE = 5.85 ANGSTROMS REMARK 525 HOH E 907 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH E 908 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH E 909 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH E 910 DISTANCE = 5.88 ANGSTROMS REMARK 525 HOH E 911 DISTANCE = 5.88 ANGSTROMS REMARK 525 HOH E 912 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH E 913 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH E 914 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH E 915 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH E 916 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH E 917 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH E 918 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH E 919 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH E 920 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH E 921 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH E 922 DISTANCE = 6.02 ANGSTROMS REMARK 525 HOH E 923 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH E 924 DISTANCE = 6.03 ANGSTROMS REMARK 525 HOH E 925 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH E 926 DISTANCE = 6.05 ANGSTROMS REMARK 525 HOH E 927 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH E 928 DISTANCE = 6.08 ANGSTROMS REMARK 525 HOH E 929 DISTANCE = 6.10 ANGSTROMS REMARK 525 HOH E 930 DISTANCE = 6.11 ANGSTROMS REMARK 525 HOH E 931 DISTANCE = 6.11 ANGSTROMS REMARK 525 HOH E 932 DISTANCE = 6.11 ANGSTROMS REMARK 525 HOH E 933 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH E 934 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH E 935 DISTANCE = 6.15 ANGSTROMS REMARK 525 HOH E 936 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH E 937 DISTANCE = 6.21 ANGSTROMS REMARK 525 HOH E 938 DISTANCE = 6.21 ANGSTROMS REMARK 525 HOH E 939 DISTANCE = 6.23 ANGSTROMS REMARK 525 HOH E 940 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH E 941 DISTANCE = 6.25 ANGSTROMS REMARK 525 HOH E 942 DISTANCE = 6.26 ANGSTROMS REMARK 525 HOH E 943 DISTANCE = 6.32 ANGSTROMS REMARK 525 HOH E 944 DISTANCE = 6.32 ANGSTROMS REMARK 525 HOH E 945 DISTANCE = 6.33 ANGSTROMS REMARK 525 HOH E 946 DISTANCE = 6.37 ANGSTROMS REMARK 525 HOH E 947 DISTANCE = 6.39 ANGSTROMS REMARK 525 HOH E 948 DISTANCE = 6.40 ANGSTROMS REMARK 525 HOH E 949 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH E 950 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH E 951 DISTANCE = 6.49 ANGSTROMS REMARK 525 HOH E 952 DISTANCE = 6.50 ANGSTROMS REMARK 525 HOH E 953 DISTANCE = 6.50 ANGSTROMS REMARK 525 HOH E 954 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH E 955 DISTANCE = 6.68 ANGSTROMS REMARK 525 HOH E 956 DISTANCE = 6.70 ANGSTROMS REMARK 525 HOH E 957 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH F 892 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH F 893 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH F 894 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH F 895 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH F 896 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH F 897 DISTANCE = 5.84 ANGSTROMS REMARK 525 HOH F 898 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH F 899 DISTANCE = 5.87 ANGSTROMS REMARK 525 HOH F 900 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH F 901 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH F 902 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH F 903 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH F 904 DISTANCE = 5.90 ANGSTROMS REMARK 525 HOH F 905 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH F 906 DISTANCE = 5.93 ANGSTROMS REMARK 525 HOH F 907 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH F 908 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH F 909 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH F 910 DISTANCE = 5.97 ANGSTROMS REMARK 525 HOH F 911 DISTANCE = 5.98 ANGSTROMS REMARK 525 HOH F 912 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH F 913 DISTANCE = 5.99 ANGSTROMS REMARK 525 HOH F 914 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH F 915 DISTANCE = 6.00 ANGSTROMS REMARK 525 HOH F 916 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH F 917 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH F 918 DISTANCE = 6.04 ANGSTROMS REMARK 525 HOH F 919 DISTANCE = 6.06 ANGSTROMS REMARK 525 HOH F 920 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH F 921 DISTANCE = 6.07 ANGSTROMS REMARK 525 HOH F 922 DISTANCE = 6.11 ANGSTROMS REMARK 525 HOH F 923 DISTANCE = 6.11 ANGSTROMS REMARK 525 HOH F 924 DISTANCE = 6.12 ANGSTROMS REMARK 525 HOH F 925 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH F 926 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH F 927 DISTANCE = 6.16 ANGSTROMS REMARK 525 HOH F 928 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH F 929 DISTANCE = 6.18 ANGSTROMS REMARK 525 HOH F 930 DISTANCE = 6.20 ANGSTROMS REMARK 525 HOH F 931 DISTANCE = 6.20 ANGSTROMS REMARK 525 HOH F 932 DISTANCE = 6.21 ANGSTROMS REMARK 525 HOH F 933 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH F 934 DISTANCE = 6.22 ANGSTROMS REMARK 525 HOH F 935 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH F 936 DISTANCE = 6.25 ANGSTROMS REMARK 525 HOH F 937 DISTANCE = 6.27 ANGSTROMS REMARK 525 HOH F 938 DISTANCE = 6.30 ANGSTROMS REMARK 525 HOH F 939 DISTANCE = 6.31 ANGSTROMS REMARK 525 HOH F 940 DISTANCE = 6.33 ANGSTROMS REMARK 525 HOH F 941 DISTANCE = 6.34 ANGSTROMS REMARK 525 HOH F 942 DISTANCE = 6.35 ANGSTROMS REMARK 525 HOH F 943 DISTANCE = 6.37 ANGSTROMS REMARK 525 HOH F 944 DISTANCE = 6.44 ANGSTROMS REMARK 525 HOH F 945 DISTANCE = 6.44 ANGSTROMS REMARK 525 HOH F 946 DISTANCE = 6.45 ANGSTROMS REMARK 525 HOH F 947 DISTANCE = 6.49 ANGSTROMS REMARK 525 HOH F 948 DISTANCE = 6.49 ANGSTROMS REMARK 525 HOH F 949 DISTANCE = 6.56 ANGSTROMS REMARK 525 HOH F 950 DISTANCE = 6.64 ANGSTROMS REMARK 525 HOH F 951 DISTANCE = 6.68 ANGSTROMS REMARK 525 HOH F 952 DISTANCE = 6.73 ANGSTROMS REMARK 525 HOH F 953 DISTANCE = 6.79 ANGSTROMS REMARK 525 HOH F 954 DISTANCE = 6.85 ANGSTROMS REMARK 525 HOH F 955 DISTANCE = 6.89 ANGSTROMS REMARK 525 HOH F 956 DISTANCE = 6.91 ANGSTROMS REMARK 525 HOH F 957 DISTANCE = 6.94 ANGSTROMS REMARK 525 HOH F 958 DISTANCE = 7.26 ANGSTROMS 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 NA A 801 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 540 OD1 REMARK 620 2 HOH A1222 O 123.9 REMARK 620 3 HOH C1461 O 142.1 77.3 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 802 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A1016 O REMARK 620 2 HOH A1874 O 120.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA B 802 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN B 540 OD1 REMARK 620 2 HOH B1252 O 126.9 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA B 801 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH B1076 O REMARK 620 2 HOH B1868 O 117.7 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA C 802 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN C 540 OD1 REMARK 620 2 HOH C1206 O 124.5 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA C 801 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH C1060 O REMARK 620 2 HOH C1882 O 115.3 REMARK 620 N 1 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-48677 RELATED DB: EMDB REMARK 900 C6 HERPES VIRUS SIMPLEX NEUTRALIZING NANOBODY BOUND TO HSV REMARK 900 GLYCOPROTEIN GB DBREF 9MW5 A 28 730 UNP P08666 GB_HHV2H 23 727 DBREF 9MW5 B 28 730 UNP P08666 GB_HHV2H 23 727 DBREF 9MW5 C 28 730 UNP P08666 GB_HHV2H 23 727 DBREF 9MW5 D 1 131 PDB 9MW5 9MW5 1 131 DBREF 9MW5 E 1 131 PDB 9MW5 9MW5 1 131 DBREF 9MW5 F 1 131 PDB 9MW5 9MW5 1 131 SEQADV 9MW5 ALA A 203 UNP P08666 THR 198 CONFLICT SEQADV 9MW5 GLY A 731 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY A 732 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY A 733 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER A 734 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 735 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 736 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 737 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 738 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 739 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 740 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 741 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS A 742 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY A 743 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER A 744 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP A 745 UNP P08666 EXPRESSION TAG SEQADV 9MW5 TYR A 746 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS A 747 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP A 748 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP A 749 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP A 750 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP A 751 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS A 752 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ALA B 203 UNP P08666 THR 198 CONFLICT SEQADV 9MW5 GLY B 731 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY B 732 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY B 733 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER B 734 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 735 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 736 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 737 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 738 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 739 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 740 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 741 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS B 742 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY B 743 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER B 744 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP B 745 UNP P08666 EXPRESSION TAG SEQADV 9MW5 TYR B 746 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS B 747 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP B 748 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP B 749 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP B 750 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP B 751 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS B 752 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ALA C 203 UNP P08666 THR 198 CONFLICT SEQADV 9MW5 GLY C 731 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY C 732 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY C 733 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER C 734 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 735 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 736 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 737 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 738 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 739 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 740 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 741 UNP P08666 EXPRESSION TAG SEQADV 9MW5 HIS C 742 UNP P08666 EXPRESSION TAG SEQADV 9MW5 GLY C 743 UNP P08666 EXPRESSION TAG SEQADV 9MW5 SER C 744 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP C 745 UNP P08666 EXPRESSION TAG SEQADV 9MW5 TYR C 746 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS C 747 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP C 748 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP C 749 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP C 750 UNP P08666 EXPRESSION TAG SEQADV 9MW5 ASP C 751 UNP P08666 EXPRESSION TAG SEQADV 9MW5 LYS C 752 UNP P08666 EXPRESSION TAG SEQRES 1 A 727 ALA PRO ALA ALA PRO ALA ALA PRO ARG ALA SER GLY GLY SEQRES 2 A 727 VAL ALA ALA THR VAL ALA ALA ASN GLY GLY PRO ALA SER SEQRES 3 A 727 ARG PRO PRO PRO VAL PRO SER PRO ALA THR THR LYS ALA SEQRES 4 A 727 ARG LYS ARG LYS THR LYS LYS PRO PRO LYS ARG PRO GLU SEQRES 5 A 727 ALA THR PRO PRO PRO ASP ALA ASN ALA THR VAL ALA ALA SEQRES 6 A 727 GLY HIS ALA THR LEU ARG ALA HIS LEU ARG GLU ILE LYS SEQRES 7 A 727 VAL GLU ASN ALA ASP ALA GLN PHE TYR VAL CYS PRO PRO SEQRES 8 A 727 PRO THR GLY ALA THR VAL VAL GLN PHE GLU GLN PRO ARG SEQRES 9 A 727 ARG CYS PRO THR ARG PRO GLU GLY GLN ASN TYR THR GLU SEQRES 10 A 727 GLY ILE ALA VAL VAL PHE LYS GLU ASN ILE ALA PRO TYR SEQRES 11 A 727 LYS PHE LYS ALA THR MET TYR TYR LYS ASP VAL THR VAL SEQRES 12 A 727 SER GLN VAL TRP PHE GLY HIS ARG TYR SER GLN PHE MET SEQRES 13 A 727 GLY ILE PHE GLU ASP ARG ALA PRO VAL PRO PHE GLU GLU SEQRES 14 A 727 VAL ILE ASP LYS ILE ASN ALA LYS GLY VAL CYS ARG SER SEQRES 15 A 727 THR ALA LYS TYR VAL ARG ASN ASN MET GLU THR THR ALA SEQRES 16 A 727 PHE HIS ARG ASP ASP HIS GLU THR ASP MET GLU LEU LYS SEQRES 17 A 727 PRO ALA LYS VAL ALA THR ARG THR SER ARG GLY TRP HIS SEQRES 18 A 727 THR THR ASP LEU LYS TYR ASN PRO SER ARG VAL GLU ALA SEQRES 19 A 727 PHE HIS ARG TYR GLY THR THR VAL ASN CYS ILE VAL GLU SEQRES 20 A 727 GLU VAL ASP ALA ARG SER VAL TYR PRO TYR ASP GLU PHE SEQRES 21 A 727 VAL LEU ALA THR GLY ASP PHE VAL TYR MET SER PRO PHE SEQRES 22 A 727 TYR GLY TYR ARG GLU GLY SER HIS THR GLU HIS THR SER SEQRES 23 A 727 TYR ALA ALA ASP ARG PHE LYS GLN VAL ASP GLY PHE TYR SEQRES 24 A 727 ALA ARG ASP LEU THR THR LYS ALA ARG ALA THR SER PRO SEQRES 25 A 727 THR THR ARG ASN LEU LEU THR THR PRO LYS PHE THR VAL SEQRES 26 A 727 ALA TRP ASP TRP VAL PRO LYS ARG PRO ALA VAL CYS THR SEQRES 27 A 727 MET THR LYS TRP GLN GLU VAL ASP GLU MET LEU ARG ALA SEQRES 28 A 727 GLU TYR GLY GLY SER PHE ARG PHE SER SER ASP ALA ILE SEQRES 29 A 727 SER THR THR PHE THR THR ASN LEU THR GLU TYR SER LEU SEQRES 30 A 727 SER ARG VAL ASP LEU GLY ASP CYS ILE GLY ARG ASP ALA SEQRES 31 A 727 ARG GLU ALA ILE ASP ARG MET PHE ALA ARG LYS TYR ASN SEQRES 32 A 727 ALA THR HIS ILE LYS VAL GLY GLN PRO GLN TYR TYR LEU SEQRES 33 A 727 ALA THR GLY GLY PHE LEU ILE ALA TYR GLN PRO LEU LEU SEQRES 34 A 727 SER ASN THR LEU ALA GLU LEU TYR VAL ARG GLU TYR MET SEQRES 35 A 727 ARG GLU GLN ASP ARG LYS PRO ARG ASN ALA THR PRO ALA SEQRES 36 A 727 PRO LEU ARG GLU ALA PRO SER ALA ASN ALA SER VAL GLU SEQRES 37 A 727 ARG ILE LYS THR THR SER SER ILE GLU PHE ALA ARG LEU SEQRES 38 A 727 GLN PHE THR TYR ASN HIS ILE GLN ARG HIS VAL ASN ASP SEQRES 39 A 727 MET LEU GLY ARG ILE ALA VAL ALA TRP CYS GLU LEU GLN SEQRES 40 A 727 ASN HIS GLU LEU THR LEU TRP ASN GLU ALA ARG LYS LEU SEQRES 41 A 727 ASN PRO ASN ALA ILE ALA SER ALA THR VAL GLY ARG ARG SEQRES 42 A 727 VAL SER ALA ARG MET LEU GLY ASP VAL MET ALA VAL SER SEQRES 43 A 727 THR CYS VAL PRO VAL ALA PRO ASP ASN VAL ILE VAL GLN SEQRES 44 A 727 ASN SER MET ARG VAL SER SER ARG PRO GLY THR CYS TYR SEQRES 45 A 727 SER ARG PRO LEU VAL SER PHE ARG TYR GLU ASP GLN GLY SEQRES 46 A 727 PRO LEU ILE GLU GLY GLN LEU GLY GLU ASN ASN GLU LEU SEQRES 47 A 727 ARG LEU THR ARG ASP ALA LEU GLU PRO CYS THR VAL GLY SEQRES 48 A 727 HIS ARG ARG TYR PHE ILE PHE GLY GLY GLY TYR VAL TYR SEQRES 49 A 727 PHE GLU GLU TYR ALA TYR SER HIS GLN LEU SER ARG ALA SEQRES 50 A 727 ASP VAL THR THR VAL SER THR PHE ILE ASP LEU ASN ILE SEQRES 51 A 727 THR MET LEU GLU ASP HIS GLU PHE VAL PRO LEU GLU VAL SEQRES 52 A 727 TYR THR ARG HIS GLU ILE LYS ASP SER GLY LEU LEU ASP SEQRES 53 A 727 TYR THR GLU VAL GLN ARG ARG ASN GLN LEU HIS ASP LEU SEQRES 54 A 727 ARG PHE ALA ASP ILE ASP THR VAL ILE ARG ALA ASP ALA SEQRES 55 A 727 ASN ALA ALA GLY GLY GLY SER HIS HIS HIS HIS HIS HIS SEQRES 56 A 727 HIS HIS GLY SER ASP TYR LYS ASP ASP ASP ASP LYS SEQRES 1 B 727 ALA PRO ALA ALA PRO ALA ALA PRO ARG ALA SER GLY GLY SEQRES 2 B 727 VAL ALA ALA THR VAL ALA ALA ASN GLY GLY PRO ALA SER SEQRES 3 B 727 ARG PRO PRO PRO VAL PRO SER PRO ALA THR THR LYS ALA SEQRES 4 B 727 ARG LYS ARG LYS THR LYS LYS PRO PRO LYS ARG PRO GLU SEQRES 5 B 727 ALA THR PRO PRO PRO ASP ALA ASN ALA THR VAL ALA ALA SEQRES 6 B 727 GLY HIS ALA THR LEU ARG ALA HIS LEU ARG GLU ILE LYS SEQRES 7 B 727 VAL GLU ASN ALA ASP ALA GLN PHE TYR VAL CYS PRO PRO SEQRES 8 B 727 PRO THR GLY ALA THR VAL VAL GLN PHE GLU GLN PRO ARG SEQRES 9 B 727 ARG CYS PRO THR ARG PRO GLU GLY GLN ASN TYR THR GLU SEQRES 10 B 727 GLY ILE ALA VAL VAL PHE LYS GLU ASN ILE ALA PRO TYR SEQRES 11 B 727 LYS PHE LYS ALA THR MET TYR TYR LYS ASP VAL THR VAL SEQRES 12 B 727 SER GLN VAL TRP PHE GLY HIS ARG TYR SER GLN PHE MET SEQRES 13 B 727 GLY ILE PHE GLU ASP ARG ALA PRO VAL PRO PHE GLU GLU SEQRES 14 B 727 VAL ILE ASP LYS ILE ASN ALA LYS GLY VAL CYS ARG SER SEQRES 15 B 727 THR ALA LYS TYR VAL ARG ASN ASN MET GLU THR THR ALA SEQRES 16 B 727 PHE HIS ARG ASP ASP HIS GLU THR ASP MET GLU LEU LYS SEQRES 17 B 727 PRO ALA LYS VAL ALA THR ARG THR SER ARG GLY TRP HIS SEQRES 18 B 727 THR THR ASP LEU LYS TYR ASN PRO SER ARG VAL GLU ALA SEQRES 19 B 727 PHE HIS ARG TYR GLY THR THR VAL ASN CYS ILE VAL GLU SEQRES 20 B 727 GLU VAL ASP ALA ARG SER VAL TYR PRO TYR ASP GLU PHE SEQRES 21 B 727 VAL LEU ALA THR GLY ASP PHE VAL TYR MET SER PRO PHE SEQRES 22 B 727 TYR GLY TYR ARG GLU GLY SER HIS THR GLU HIS THR SER SEQRES 23 B 727 TYR ALA ALA ASP ARG PHE LYS GLN VAL ASP GLY PHE TYR SEQRES 24 B 727 ALA ARG ASP LEU THR THR LYS ALA ARG ALA THR SER PRO SEQRES 25 B 727 THR THR ARG ASN LEU LEU THR THR PRO LYS PHE THR VAL SEQRES 26 B 727 ALA TRP ASP TRP VAL PRO LYS ARG PRO ALA VAL CYS THR SEQRES 27 B 727 MET THR LYS TRP GLN GLU VAL ASP GLU MET LEU ARG ALA SEQRES 28 B 727 GLU TYR GLY GLY SER PHE ARG PHE SER SER ASP ALA ILE SEQRES 29 B 727 SER THR THR PHE THR THR ASN LEU THR GLU TYR SER LEU SEQRES 30 B 727 SER ARG VAL ASP LEU GLY ASP CYS ILE GLY ARG ASP ALA SEQRES 31 B 727 ARG GLU ALA ILE ASP ARG MET PHE ALA ARG LYS TYR ASN SEQRES 32 B 727 ALA THR HIS ILE LYS VAL GLY GLN PRO GLN TYR TYR LEU SEQRES 33 B 727 ALA THR GLY GLY PHE LEU ILE ALA TYR GLN PRO LEU LEU SEQRES 34 B 727 SER ASN THR LEU ALA GLU LEU TYR VAL ARG GLU TYR MET SEQRES 35 B 727 ARG GLU GLN ASP ARG LYS PRO ARG ASN ALA THR PRO ALA SEQRES 36 B 727 PRO LEU ARG GLU ALA PRO SER ALA ASN ALA SER VAL GLU SEQRES 37 B 727 ARG ILE LYS THR THR SER SER ILE GLU PHE ALA ARG LEU SEQRES 38 B 727 GLN PHE THR TYR ASN HIS ILE GLN ARG HIS VAL ASN ASP SEQRES 39 B 727 MET LEU GLY ARG ILE ALA VAL ALA TRP CYS GLU LEU GLN SEQRES 40 B 727 ASN HIS GLU LEU THR LEU TRP ASN GLU ALA ARG LYS LEU SEQRES 41 B 727 ASN PRO ASN ALA ILE ALA SER ALA THR VAL GLY ARG ARG SEQRES 42 B 727 VAL SER ALA ARG MET LEU GLY ASP VAL MET ALA VAL SER SEQRES 43 B 727 THR CYS VAL PRO VAL ALA PRO ASP ASN VAL ILE VAL GLN SEQRES 44 B 727 ASN SER MET ARG VAL SER SER ARG PRO GLY THR CYS TYR SEQRES 45 B 727 SER ARG PRO LEU VAL SER PHE ARG TYR GLU ASP GLN GLY SEQRES 46 B 727 PRO LEU ILE GLU GLY GLN LEU GLY GLU ASN ASN GLU LEU SEQRES 47 B 727 ARG LEU THR ARG ASP ALA LEU GLU PRO CYS THR VAL GLY SEQRES 48 B 727 HIS ARG ARG TYR PHE ILE PHE GLY GLY GLY TYR VAL TYR SEQRES 49 B 727 PHE GLU GLU TYR ALA TYR SER HIS GLN LEU SER ARG ALA SEQRES 50 B 727 ASP VAL THR THR VAL SER THR PHE ILE ASP LEU ASN ILE SEQRES 51 B 727 THR MET LEU GLU ASP HIS GLU PHE VAL PRO LEU GLU VAL SEQRES 52 B 727 TYR THR ARG HIS GLU ILE LYS ASP SER GLY LEU LEU ASP SEQRES 53 B 727 TYR THR GLU VAL GLN ARG ARG ASN GLN LEU HIS ASP LEU SEQRES 54 B 727 ARG PHE ALA ASP ILE ASP THR VAL ILE ARG ALA ASP ALA SEQRES 55 B 727 ASN ALA ALA GLY GLY GLY SER HIS HIS HIS HIS HIS HIS SEQRES 56 B 727 HIS HIS GLY SER ASP TYR LYS ASP ASP ASP ASP LYS SEQRES 1 C 727 ALA PRO ALA ALA PRO ALA ALA PRO ARG ALA SER GLY GLY SEQRES 2 C 727 VAL ALA ALA THR VAL ALA ALA ASN GLY GLY PRO ALA SER SEQRES 3 C 727 ARG PRO PRO PRO VAL PRO SER PRO ALA THR THR LYS ALA SEQRES 4 C 727 ARG LYS ARG LYS THR LYS LYS PRO PRO LYS ARG PRO GLU SEQRES 5 C 727 ALA THR PRO PRO PRO ASP ALA ASN ALA THR VAL ALA ALA SEQRES 6 C 727 GLY HIS ALA THR LEU ARG ALA HIS LEU ARG GLU ILE LYS SEQRES 7 C 727 VAL GLU ASN ALA ASP ALA GLN PHE TYR VAL CYS PRO PRO SEQRES 8 C 727 PRO THR GLY ALA THR VAL VAL GLN PHE GLU GLN PRO ARG SEQRES 9 C 727 ARG CYS PRO THR ARG PRO GLU GLY GLN ASN TYR THR GLU SEQRES 10 C 727 GLY ILE ALA VAL VAL PHE LYS GLU ASN ILE ALA PRO TYR SEQRES 11 C 727 LYS PHE LYS ALA THR MET TYR TYR LYS ASP VAL THR VAL SEQRES 12 C 727 SER GLN VAL TRP PHE GLY HIS ARG TYR SER GLN PHE MET SEQRES 13 C 727 GLY ILE PHE GLU ASP ARG ALA PRO VAL PRO PHE GLU GLU SEQRES 14 C 727 VAL ILE ASP LYS ILE ASN ALA LYS GLY VAL CYS ARG SER SEQRES 15 C 727 THR ALA LYS TYR VAL ARG ASN ASN MET GLU THR THR ALA SEQRES 16 C 727 PHE HIS ARG ASP ASP HIS GLU THR ASP MET GLU LEU LYS SEQRES 17 C 727 PRO ALA LYS VAL ALA THR ARG THR SER ARG GLY TRP HIS SEQRES 18 C 727 THR THR ASP LEU LYS TYR ASN PRO SER ARG VAL GLU ALA SEQRES 19 C 727 PHE HIS ARG TYR GLY THR THR VAL ASN CYS ILE VAL GLU SEQRES 20 C 727 GLU VAL ASP ALA ARG SER VAL TYR PRO TYR ASP GLU PHE SEQRES 21 C 727 VAL LEU ALA THR GLY ASP PHE VAL TYR MET SER PRO PHE SEQRES 22 C 727 TYR GLY TYR ARG GLU GLY SER HIS THR GLU HIS THR SER SEQRES 23 C 727 TYR ALA ALA ASP ARG PHE LYS GLN VAL ASP GLY PHE TYR SEQRES 24 C 727 ALA ARG ASP LEU THR THR LYS ALA ARG ALA THR SER PRO SEQRES 25 C 727 THR THR ARG ASN LEU LEU THR THR PRO LYS PHE THR VAL SEQRES 26 C 727 ALA TRP ASP TRP VAL PRO LYS ARG PRO ALA VAL CYS THR SEQRES 27 C 727 MET THR LYS TRP GLN GLU VAL ASP GLU MET LEU ARG ALA SEQRES 28 C 727 GLU TYR GLY GLY SER PHE ARG PHE SER SER ASP ALA ILE SEQRES 29 C 727 SER THR THR PHE THR THR ASN LEU THR GLU TYR SER LEU SEQRES 30 C 727 SER ARG VAL ASP LEU GLY ASP CYS ILE GLY ARG ASP ALA SEQRES 31 C 727 ARG GLU ALA ILE ASP ARG MET PHE ALA ARG LYS TYR ASN SEQRES 32 C 727 ALA THR HIS ILE LYS VAL GLY GLN PRO GLN TYR TYR LEU SEQRES 33 C 727 ALA THR GLY GLY PHE LEU ILE ALA TYR GLN PRO LEU LEU SEQRES 34 C 727 SER ASN THR LEU ALA GLU LEU TYR VAL ARG GLU TYR MET SEQRES 35 C 727 ARG GLU GLN ASP ARG LYS PRO ARG ASN ALA THR PRO ALA SEQRES 36 C 727 PRO LEU ARG GLU ALA PRO SER ALA ASN ALA SER VAL GLU SEQRES 37 C 727 ARG ILE LYS THR THR SER SER ILE GLU PHE ALA ARG LEU SEQRES 38 C 727 GLN PHE THR TYR ASN HIS ILE GLN ARG HIS VAL ASN ASP SEQRES 39 C 727 MET LEU GLY ARG ILE ALA VAL ALA TRP CYS GLU LEU GLN SEQRES 40 C 727 ASN HIS GLU LEU THR LEU TRP ASN GLU ALA ARG LYS LEU SEQRES 41 C 727 ASN PRO ASN ALA ILE ALA SER ALA THR VAL GLY ARG ARG SEQRES 42 C 727 VAL SER ALA ARG MET LEU GLY ASP VAL MET ALA VAL SER SEQRES 43 C 727 THR CYS VAL PRO VAL ALA PRO ASP ASN VAL ILE VAL GLN SEQRES 44 C 727 ASN SER MET ARG VAL SER SER ARG PRO GLY THR CYS TYR SEQRES 45 C 727 SER ARG PRO LEU VAL SER PHE ARG TYR GLU ASP GLN GLY SEQRES 46 C 727 PRO LEU ILE GLU GLY GLN LEU GLY GLU ASN ASN GLU LEU SEQRES 47 C 727 ARG LEU THR ARG ASP ALA LEU GLU PRO CYS THR VAL GLY SEQRES 48 C 727 HIS ARG ARG TYR PHE ILE PHE GLY GLY GLY TYR VAL TYR SEQRES 49 C 727 PHE GLU GLU TYR ALA TYR SER HIS GLN LEU SER ARG ALA SEQRES 50 C 727 ASP VAL THR THR VAL SER THR PHE ILE ASP LEU ASN ILE SEQRES 51 C 727 THR MET LEU GLU ASP HIS GLU PHE VAL PRO LEU GLU VAL SEQRES 52 C 727 TYR THR ARG HIS GLU ILE LYS ASP SER GLY LEU LEU ASP SEQRES 53 C 727 TYR THR GLU VAL GLN ARG ARG ASN GLN LEU HIS ASP LEU SEQRES 54 C 727 ARG PHE ALA ASP ILE ASP THR VAL ILE ARG ALA ASP ALA SEQRES 55 C 727 ASN ALA ALA GLY GLY GLY SER HIS HIS HIS HIS HIS HIS SEQRES 56 C 727 HIS HIS GLY SER ASP TYR LYS ASP ASP ASP ASP LYS SEQRES 1 D 131 GLU VAL GLN LEU LEU GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 D 131 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 D 131 ARG GLY PHE SER MET LEU ASN VAL GLY TRP PHE ARG GLN SEQRES 4 D 131 ALA PRO GLY LYS GLY ARG GLU PHE VAL ALA THR ILE SER SEQRES 5 D 131 TRP THR GLY GLU ARG THR TYR TYR GLY ASP SER VAL LYS SEQRES 6 D 131 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR SEQRES 7 D 131 ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR SEQRES 8 D 131 ALA VAL TYR TYR CYS ALA ALA VAL GLY PRO LYS THR TRP SEQRES 9 D 131 ASP TYR GLY LEU ALA SER GLU TYR ASP TYR TRP GLY GLN SEQRES 10 D 131 GLY THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS SEQRES 11 D 131 HIS SEQRES 1 E 131 GLU VAL GLN LEU LEU GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 E 131 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 E 131 ARG GLY PHE SER MET LEU ASN VAL GLY TRP PHE ARG GLN SEQRES 4 E 131 ALA PRO GLY LYS GLY ARG GLU PHE VAL ALA THR ILE SER SEQRES 5 E 131 TRP THR GLY GLU ARG THR TYR TYR GLY ASP SER VAL LYS SEQRES 6 E 131 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR SEQRES 7 E 131 ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR SEQRES 8 E 131 ALA VAL TYR TYR CYS ALA ALA VAL GLY PRO LYS THR TRP SEQRES 9 E 131 ASP TYR GLY LEU ALA SER GLU TYR ASP TYR TRP GLY GLN SEQRES 10 E 131 GLY THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS SEQRES 11 E 131 HIS SEQRES 1 F 131 GLU VAL GLN LEU LEU GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 F 131 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 F 131 ARG GLY PHE SER MET LEU ASN VAL GLY TRP PHE ARG GLN SEQRES 4 F 131 ALA PRO GLY LYS GLY ARG GLU PHE VAL ALA THR ILE SER SEQRES 5 F 131 TRP THR GLY GLU ARG THR TYR TYR GLY ASP SER VAL LYS SEQRES 6 F 131 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR SEQRES 7 F 131 ALA TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR SEQRES 8 F 131 ALA VAL TYR TYR CYS ALA ALA VAL GLY PRO LYS THR TRP SEQRES 9 F 131 ASP TYR GLY LEU ALA SER GLU TYR ASP TYR TRP GLY GLN SEQRES 10 F 131 GLY THR GLN VAL THR VAL SER SER HIS HIS HIS HIS HIS SEQRES 11 F 131 HIS HET NA A 801 1 HET NA A 802 1 HET NA B 801 1 HET NA B 802 1 HET NA C 801 1 HET NA C 802 1 HETNAM NA SODIUM ION FORMUL 7 NA 6(NA 1+) FORMUL 13 HOH *5516(H2 O) HELIX 1 AA1 PRO A 193 LYS A 200 1 8 HELIX 2 AA2 LYS A 200 GLY A 205 1 6 HELIX 3 AA3 ARG A 225 ASP A 227 5 3 HELIX 4 AA4 GLY A 306 GLU A 310 5 5 HELIX 5 AA5 ALA A 315 ASP A 317 5 3 HELIX 6 AA6 SER A 403 VAL A 407 5 5 HELIX 7 AA7 ASP A 411 TYR A 429 1 19 HELIX 8 AA8 THR A 459 ALA A 461 5 3 HELIX 9 AA9 ILE A 501 ASN A 546 1 46 HELIX 10 AB1 ASN A 546 GLY A 556 1 11 HELIX 11 AB2 ALA A 577 ASP A 579 5 3 HELIX 12 AB3 ALA A 662 VAL A 664 5 3 HELIX 13 AB4 THR A 690 SER A 697 1 8 HELIX 14 AB5 ASP A 701 GLN A 710 1 10 HELIX 15 AB6 LEU A 711 ALA A 717 1 7 HELIX 16 AB7 PRO B 193 LYS B 200 1 8 HELIX 17 AB8 LYS B 200 GLY B 205 1 6 HELIX 18 AB9 ARG B 225 ASP B 227 5 3 HELIX 19 AC1 GLY B 306 GLU B 310 5 5 HELIX 20 AC2 ALA B 315 ASP B 317 5 3 HELIX 21 AC3 SER B 403 VAL B 407 5 5 HELIX 22 AC4 ASP B 411 TYR B 429 1 19 HELIX 23 AC5 THR B 459 ALA B 461 5 3 HELIX 24 AC6 ILE B 501 ASN B 546 1 46 HELIX 25 AC7 ASN B 546 GLY B 556 1 11 HELIX 26 AC8 ALA B 577 ASP B 579 5 3 HELIX 27 AC9 ALA B 662 VAL B 664 5 3 HELIX 28 AD1 THR B 690 SER B 697 1 8 HELIX 29 AD2 ASP B 701 GLN B 710 1 10 HELIX 30 AD3 LEU B 711 ALA B 717 1 7 HELIX 31 AD4 PRO C 193 LYS C 200 1 8 HELIX 32 AD5 LYS C 200 GLY C 205 1 6 HELIX 33 AD6 ARG C 225 ASP C 227 5 3 HELIX 34 AD7 GLY C 306 GLU C 310 5 5 HELIX 35 AD8 ALA C 315 ASP C 317 5 3 HELIX 36 AD9 PRO C 358 VAL C 363 1 6 HELIX 37 AE1 SER C 403 VAL C 407 5 5 HELIX 38 AE2 CYS C 412 TYR C 429 1 18 HELIX 39 AE3 THR C 459 ALA C 461 5 3 HELIX 40 AE4 ILE C 501 ASN C 546 1 46 HELIX 41 AE5 ASN C 546 GLY C 556 1 11 HELIX 42 AE6 ALA C 577 ASP C 579 5 3 HELIX 43 AE7 ALA C 662 VAL C 664 5 3 HELIX 44 AE8 THR C 690 SER C 697 1 8 HELIX 45 AE9 ASP C 701 GLN C 710 1 10 HELIX 46 AF1 HIS C 712 ALA C 717 1 6 HELIX 47 AF2 GLY D 28 LEU D 32 5 5 HELIX 48 AF3 LEU D 108 TYR D 112 5 5 HELIX 49 AF4 GLY E 28 LEU E 32 5 5 HELIX 50 AF5 GLY F 28 LEU F 32 5 5 SHEET 1 AA1 2 PHE A 113 VAL A 115 0 SHEET 2 AA1 2 VAL A 574 VAL A 576 -1 O VAL A 574 N VAL A 115 SHEET 1 AA2 4 VAL A 559 ARG A 562 0 SHEET 2 AA2 4 MET A 568 THR A 572 -1 O SER A 571 N SER A 560 SHEET 3 AA2 4 VAL A 124 PHE A 127 -1 N VAL A 125 O MET A 568 SHEET 4 AA2 4 THR C 665 VAL C 667 1 O VAL C 667 N GLN A 126 SHEET 1 AA3 4 MET A 366 VAL A 372 0 SHEET 2 AA3 4 GLU A 144 GLU A 152 -1 N LYS A 151 O THR A 367 SHEET 3 AA3 4 PHE A 448 SER A 457 -1 O LEU A 455 N GLU A 144 SHEET 4 AA3 4 HIS A 433 LYS A 435 -1 N ILE A 434 O LEU A 456 SHEET 1 AA4 4 MET A 366 VAL A 372 0 SHEET 2 AA4 4 GLU A 144 GLU A 152 -1 N LYS A 151 O THR A 367 SHEET 3 AA4 4 PHE A 448 SER A 457 -1 O LEU A 455 N GLU A 144 SHEET 4 AA4 4 GLN A 440 ALA A 444 -1 N GLN A 440 O TYR A 452 SHEET 1 AA5 5 TYR A 179 PRO A 191 0 SHEET 2 AA5 5 TYR A 157 GLY A 176 -1 N TRP A 174 O GLN A 181 SHEET 3 AA5 5 PHE A 262 SER A 280 -1 O ALA A 278 N PHE A 159 SHEET 4 AA5 5 PHE A 287 LEU A 289 -1 O VAL A 288 N ARG A 279 SHEET 5 AA5 5 PHE A 294 VAL A 295 -1 O VAL A 295 N PHE A 287 SHEET 1 AA6 7 LYS A 235 PRO A 236 0 SHEET 2 AA6 7 GLY A 246 HIS A 248 -1 O HIS A 248 N LYS A 235 SHEET 3 AA6 7 PHE A 262 SER A 280 -1 O VAL A 273 N TRP A 247 SHEET 4 AA6 7 TYR A 157 GLY A 176 -1 N PHE A 159 O ALA A 278 SHEET 5 AA6 7 THR A 351 ASP A 355 -1 O THR A 351 N TYR A 164 SHEET 6 AA6 7 THR A 340 THR A 346 -1 N ASN A 343 O TRP A 354 SHEET 7 AA6 7 PHE A 319 PHE A 325 -1 N PHE A 325 O THR A 340 SHEET 1 AA7 2 VAL A 206 ARG A 208 0 SHEET 2 AA7 2 ASP A 231 GLU A 233 -1 O MET A 232 N CYS A 207 SHEET 1 AA8 2 THR A 210 ARG A 215 0 SHEET 2 AA8 2 MET A 218 PHE A 223 -1 O THR A 220 N TYR A 213 SHEET 1 AA9 3 MET A 375 TYR A 380 0 SHEET 2 AA9 3 SER A 383 SER A 388 -1 O SER A 387 N LEU A 376 SHEET 3 AA9 3 THR A 393 ASN A 398 -1 O THR A 393 N SER A 388 SHEET 1 AB1 4 VAL A 581 VAL A 583 0 SHEET 2 AB1 4 LEU A 601 PHE A 604 -1 O SER A 603 N ILE A 582 SHEET 3 AB1 4 ILE A 613 LEU A 617 -1 O ILE A 613 N PHE A 604 SHEET 4 AB1 4 LEU A 623 ARG A 624 -1 O ARG A 624 N GLN A 616 SHEET 1 AB2 2 THR A 595 TYR A 597 0 SHEET 2 AB2 2 LEU A 630 PRO A 632 -1 O GLU A 631 N CYS A 596 SHEET 1 AB3 3 ARG A 638 PHE A 643 0 SHEET 2 AB3 3 GLY A 646 GLU A 651 -1 O GLY A 646 N PHE A 643 SHEET 3 AB3 3 ALA A 654 SER A 660 -1 O LEU A 659 N TYR A 647 SHEET 1 AB4 4 THR A 665 VAL A 667 0 SHEET 2 AB4 4 VAL B 124 PHE B 127 1 O GLN B 126 N VAL A 667 SHEET 3 AB4 4 MET B 568 THR B 572 -1 O MET B 568 N VAL B 125 SHEET 4 AB4 4 VAL B 559 MET B 563 -1 N SER B 560 O SER B 571 SHEET 1 AB5 6 VAL B 574 VAL B 576 0 SHEET 2 AB5 6 PHE B 113 VAL B 115 -1 N VAL B 115 O VAL B 574 SHEET 3 AB5 6 GLU B 622 ARG B 624 1 O LEU B 623 N TYR B 114 SHEET 4 AB5 6 ILE B 613 LEU B 617 -1 N GLN B 616 O ARG B 624 SHEET 5 AB5 6 LEU B 601 PHE B 604 -1 N PHE B 604 O ILE B 613 SHEET 6 AB5 6 VAL B 581 VAL B 583 -1 N ILE B 582 O SER B 603 SHEET 1 AB6 4 MET B 366 VAL B 372 0 SHEET 2 AB6 4 GLY B 145 GLU B 152 -1 N LYS B 151 O THR B 367 SHEET 3 AB6 4 PHE B 448 SER B 457 -1 O GLN B 453 N ILE B 146 SHEET 4 AB6 4 HIS B 433 LYS B 435 -1 N ILE B 434 O LEU B 456 SHEET 1 AB7 4 MET B 366 VAL B 372 0 SHEET 2 AB7 4 GLY B 145 GLU B 152 -1 N LYS B 151 O THR B 367 SHEET 3 AB7 4 PHE B 448 SER B 457 -1 O GLN B 453 N ILE B 146 SHEET 4 AB7 4 GLN B 440 ALA B 444 -1 N ALA B 444 O PHE B 448 SHEET 1 AB8 5 TYR B 179 PRO B 191 0 SHEET 2 AB8 5 TYR B 157 GLY B 176 -1 N TRP B 174 O GLN B 181 SHEET 3 AB8 5 PHE B 262 SER B 280 -1 O ILE B 272 N TYR B 165 SHEET 4 AB8 5 PHE B 287 LEU B 289 -1 O VAL B 288 N ARG B 279 SHEET 5 AB8 5 PHE B 294 VAL B 295 -1 O VAL B 295 N PHE B 287 SHEET 1 AB9 7 LYS B 235 PRO B 236 0 SHEET 2 AB9 7 GLY B 246 HIS B 248 -1 O HIS B 248 N LYS B 235 SHEET 3 AB9 7 PHE B 262 SER B 280 -1 O VAL B 273 N TRP B 247 SHEET 4 AB9 7 TYR B 157 GLY B 176 -1 N TYR B 165 O ILE B 272 SHEET 5 AB9 7 THR B 351 ASP B 355 -1 O THR B 351 N TYR B 164 SHEET 6 AB9 7 THR B 340 THR B 346 -1 N ASN B 343 O TRP B 354 SHEET 7 AB9 7 PHE B 319 PHE B 325 -1 N LYS B 320 O LEU B 344 SHEET 1 AC1 2 VAL B 206 ARG B 208 0 SHEET 2 AC1 2 ASP B 231 GLU B 233 -1 O MET B 232 N CYS B 207 SHEET 1 AC2 2 THR B 210 ARG B 215 0 SHEET 2 AC2 2 MET B 218 PHE B 223 -1 O THR B 220 N TYR B 213 SHEET 1 AC3 3 MET B 375 TYR B 380 0 SHEET 2 AC3 3 SER B 383 SER B 388 -1 O SER B 387 N LEU B 376 SHEET 3 AC3 3 THR B 393 ASN B 398 -1 O THR B 393 N SER B 388 SHEET 1 AC4 2 THR B 595 TYR B 597 0 SHEET 2 AC4 2 LEU B 630 PRO B 632 -1 O GLU B 631 N CYS B 596 SHEET 1 AC5 3 ARG B 638 PHE B 643 0 SHEET 2 AC5 3 GLY B 646 GLU B 651 -1 O GLY B 646 N PHE B 643 SHEET 3 AC5 3 ALA B 654 SER B 660 -1 O LEU B 659 N TYR B 647 SHEET 1 AC6 4 THR B 665 VAL B 667 0 SHEET 2 AC6 4 VAL C 124 PHE C 127 1 O GLN C 126 N VAL B 667 SHEET 3 AC6 4 MET C 568 THR C 572 -1 O MET C 568 N VAL C 125 SHEET 4 AC6 4 VAL C 559 MET C 563 -1 N SER C 560 O SER C 571 SHEET 1 AC7 6 VAL C 574 VAL C 576 0 SHEET 2 AC7 6 PHE C 113 VAL C 115 -1 N VAL C 115 O VAL C 574 SHEET 3 AC7 6 GLU C 622 ARG C 624 1 O LEU C 623 N TYR C 114 SHEET 4 AC7 6 ILE C 613 LEU C 617 -1 N GLN C 616 O ARG C 624 SHEET 5 AC7 6 LEU C 601 PHE C 604 -1 N PHE C 604 O ILE C 613 SHEET 6 AC7 6 VAL C 581 VAL C 583 -1 N ILE C 582 O SER C 603 SHEET 1 AC8 4 MET C 366 VAL C 372 0 SHEET 2 AC8 4 GLY C 145 GLU C 152 -1 N LYS C 151 O THR C 367 SHEET 3 AC8 4 PHE C 448 SER C 457 -1 O GLN C 453 N ILE C 146 SHEET 4 AC8 4 HIS C 433 LYS C 435 -1 N ILE C 434 O LEU C 456 SHEET 1 AC9 4 MET C 366 VAL C 372 0 SHEET 2 AC9 4 GLY C 145 GLU C 152 -1 N LYS C 151 O THR C 367 SHEET 3 AC9 4 PHE C 448 SER C 457 -1 O GLN C 453 N ILE C 146 SHEET 4 AC9 4 GLN C 440 ALA C 444 -1 N ALA C 444 O PHE C 448 SHEET 1 AD1 5 SER C 180 PRO C 191 0 SHEET 2 AD1 5 TYR C 157 PHE C 175 -1 N VAL C 170 O PHE C 186 SHEET 3 AD1 5 PHE C 262 SER C 280 -1 O ALA C 278 N PHE C 159 SHEET 4 AD1 5 PHE C 287 LEU C 289 -1 O VAL C 288 N ARG C 279 SHEET 5 AD1 5 PHE C 294 VAL C 295 -1 O VAL C 295 N PHE C 287 SHEET 1 AD2 7 LYS C 235 PRO C 236 0 SHEET 2 AD2 7 GLY C 246 HIS C 248 -1 O HIS C 248 N LYS C 235 SHEET 3 AD2 7 PHE C 262 SER C 280 -1 O VAL C 273 N TRP C 247 SHEET 4 AD2 7 TYR C 157 PHE C 175 -1 N PHE C 159 O ALA C 278 SHEET 5 AD2 7 THR C 351 ASP C 355 -1 O THR C 351 N TYR C 164 SHEET 6 AD2 7 THR C 340 THR C 346 -1 N LEU C 345 O VAL C 352 SHEET 7 AD2 7 PHE C 319 PHE C 325 -1 N PHE C 325 O THR C 340 SHEET 1 AD3 2 VAL C 206 ARG C 208 0 SHEET 2 AD3 2 ASP C 231 GLU C 233 -1 O MET C 232 N CYS C 207 SHEET 1 AD4 2 THR C 210 ARG C 215 0 SHEET 2 AD4 2 MET C 218 PHE C 223 -1 O THR C 220 N TYR C 213 SHEET 1 AD5 3 MET C 375 TYR C 380 0 SHEET 2 AD5 3 SER C 383 SER C 388 -1 O SER C 387 N LEU C 376 SHEET 3 AD5 3 THR C 393 ASN C 398 -1 O THR C 393 N SER C 388 SHEET 1 AD6 2 THR C 595 TYR C 597 0 SHEET 2 AD6 2 LEU C 630 PRO C 632 -1 O GLU C 631 N CYS C 596 SHEET 1 AD7 3 ARG C 638 PHE C 643 0 SHEET 2 AD7 3 GLY C 646 GLU C 651 -1 O GLY C 646 N PHE C 643 SHEET 3 AD7 3 ALA C 654 SER C 660 -1 O LEU C 659 N TYR C 647 SHEET 1 AD8 4 GLN D 3 SER D 7 0 SHEET 2 AD8 4 SER D 17 SER D 25 -1 O SER D 21 N SER D 7 SHEET 3 AD8 4 THR D 78 ASN D 84 -1 O LEU D 81 N LEU D 20 SHEET 4 AD8 4 THR D 69 ASP D 73 -1 N SER D 71 O TYR D 80 SHEET 1 AD9 5 THR D 58 TYR D 60 0 SHEET 2 AD9 5 ARG D 45 ILE D 51 -1 N THR D 50 O TYR D 59 SHEET 3 AD9 5 VAL D 34 GLN D 39 -1 N VAL D 34 O ILE D 51 SHEET 4 AD9 5 VAL D 93 ALA D 98 -1 O TYR D 95 N PHE D 37 SHEET 5 AD9 5 TYR D 114 TRP D 115 -1 O TYR D 114 N ALA D 98 SHEET 1 AE1 5 THR D 58 TYR D 60 0 SHEET 2 AE1 5 ARG D 45 ILE D 51 -1 N THR D 50 O TYR D 59 SHEET 3 AE1 5 VAL D 34 GLN D 39 -1 N VAL D 34 O ILE D 51 SHEET 4 AE1 5 VAL D 93 ALA D 98 -1 O TYR D 95 N PHE D 37 SHEET 5 AE1 5 THR D 119 GLN D 120 -1 O THR D 119 N TYR D 94 SHEET 1 AE2 4 GLN E 3 SER E 7 0 SHEET 2 AE2 4 SER E 17 SER E 25 -1 O SER E 21 N SER E 7 SHEET 3 AE2 4 THR E 78 ASN E 84 -1 O MET E 83 N LEU E 18 SHEET 4 AE2 4 PHE E 68 ASP E 73 -1 N ASP E 73 O THR E 78 SHEET 1 AE3 2 LEU E 11 VAL E 12 0 SHEET 2 AE3 2 THR E 122 VAL E 123 1 O THR E 122 N VAL E 12 SHEET 1 AE4 5 THR E 58 TYR E 60 0 SHEET 2 AE4 5 ARG E 45 ILE E 51 -1 N THR E 50 O TYR E 59 SHEET 3 AE4 5 ASN E 33 GLN E 39 -1 N VAL E 34 O ILE E 51 SHEET 4 AE4 5 VAL E 93 VAL E 99 -1 O VAL E 99 N ASN E 33 SHEET 5 AE4 5 TYR E 114 TRP E 115 -1 O TYR E 114 N ALA E 98 SHEET 1 AE5 5 THR E 58 TYR E 60 0 SHEET 2 AE5 5 ARG E 45 ILE E 51 -1 N THR E 50 O TYR E 59 SHEET 3 AE5 5 ASN E 33 GLN E 39 -1 N VAL E 34 O ILE E 51 SHEET 4 AE5 5 VAL E 93 VAL E 99 -1 O VAL E 99 N ASN E 33 SHEET 5 AE5 5 THR E 119 GLN E 120 -1 O THR E 119 N TYR E 94 SHEET 1 AE6 4 GLN F 3 SER F 7 0 SHEET 2 AE6 4 SER F 17 SER F 25 -1 O SER F 21 N SER F 7 SHEET 3 AE6 4 THR F 78 ASN F 84 -1 O MET F 83 N LEU F 18 SHEET 4 AE6 4 PHE F 68 ASP F 73 -1 N SER F 71 O TYR F 80 SHEET 1 AE7 5 THR F 58 TYR F 60 0 SHEET 2 AE7 5 ARG F 45 ILE F 51 -1 N THR F 50 O TYR F 59 SHEET 3 AE7 5 ASN F 33 GLN F 39 -1 N VAL F 34 O ILE F 51 SHEET 4 AE7 5 VAL F 93 VAL F 99 -1 O ALA F 97 N GLY F 35 SHEET 5 AE7 5 TYR F 114 TRP F 115 -1 O TYR F 114 N ALA F 98 SHEET 1 AE8 5 THR F 58 TYR F 60 0 SHEET 2 AE8 5 ARG F 45 ILE F 51 -1 N THR F 50 O TYR F 59 SHEET 3 AE8 5 ASN F 33 GLN F 39 -1 N VAL F 34 O ILE F 51 SHEET 4 AE8 5 VAL F 93 VAL F 99 -1 O ALA F 97 N GLY F 35 SHEET 5 AE8 5 THR F 119 GLN F 120 -1 O THR F 119 N TYR F 94 SSBOND 1 CYS A 116 CYS A 573 1555 1555 2.03 SSBOND 2 CYS A 133 CYS A 529 1555 1555 2.03 SSBOND 3 CYS A 207 CYS A 271 1555 1555 2.03 SSBOND 4 CYS B 116 CYS B 573 1555 1555 2.03 SSBOND 5 CYS B 133 CYS B 529 1555 1555 2.03 SSBOND 6 CYS B 207 CYS B 271 1555 1555 2.03 SSBOND 7 CYS C 116 CYS C 573 1555 1555 2.03 SSBOND 8 CYS C 133 CYS C 529 1555 1555 2.03 SSBOND 9 CYS C 207 CYS C 271 1555 1555 2.04 SSBOND 10 CYS D 22 CYS D 96 1555 1555 2.03 SSBOND 11 CYS E 22 CYS E 96 1555 1555 2.03 SSBOND 12 CYS F 22 CYS F 96 1555 1555 2.04 LINK OD1 ASN A 540 NA NA A 801 1555 1555 2.56 LINK NA NA A 801 O HOH A1222 1555 1555 2.72 LINK NA NA A 801 O HOH C1461 1555 1555 3.18 LINK NA NA A 802 O HOH A1016 1555 1555 2.36 LINK NA NA A 802 O HOH A1874 1555 1555 2.70 LINK OD1 ASN B 540 NA NA B 802 1555 1555 2.51 LINK NA NA B 801 O HOH B1076 1555 1555 2.39 LINK NA NA B 801 O HOH B1868 1555 1555 2.79 LINK NA NA B 802 O HOH B1252 1555 1555 2.75 LINK OD1 ASN C 540 NA NA C 802 1555 1555 2.63 LINK NA NA C 801 O HOH C1060 1555 1555 2.45 LINK NA NA C 801 O HOH C1882 1555 1555 2.79 LINK NA NA C 802 O HOH C1206 1555 1555 2.59 CISPEP 1 TYR A 282 PRO A 283 0 3.80 CISPEP 2 TYR B 282 PRO B 283 0 3.36 CISPEP 3 TYR C 282 PRO C 283 0 3.79 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000