HEADER MEMBRANE PROTEIN 26-MAY-22 7XW7 TITLE TSHR-K1-70 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: K1-70 SCFV HEAVY CHAIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: K1-70 SCFV LIGHT CHAIN; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: THYROTROPIN RECEPTOR; COMPND 11 CHAIN: R; COMPND 12 SYNONYM: THYROID-STIMULATING HORMONE RECEPTOR,TSH-R; COMPND 13 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 8 ORGANISM_TAXID: 9606; SOURCE 9 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 10 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 11 MOL_ID: 3; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_COMMON: HUMAN; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 GENE: TSHR, LGR3; SOURCE 16 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 17 EXPRESSION_SYSTEM_TAXID: 7108 KEYWDS THYROID-STIMULATING HORMONE, THYROID-STIMULATING HORMONE RECEPTOR, KEYWDS 2 THS, THSR, GPCR, GS, K1-70, MEMBRANE PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR J.DUAN,P.XU,X.LUAN,Y.JI,Q.YUAN,X.HE,J.YE,X.CHENG,H.JIANG,S.ZHANG, AUTHOR 2 Y.JIANG,H.E.XU REVDAT 1 17-AUG-22 7XW7 0 JRNL AUTH J.DUAN,P.XU,X.LUAN,Y.JI,X.HE,N.SONG,Q.YUAN,Y.JIN,X.CHENG, JRNL AUTH 2 H.JIANG,J.ZHENG,S.ZHANG,Y.JIANG,H.E.XU JRNL TITL HORMONE- AND ANTIBODY-MEDIATED ACTIVATION OF THE THYROTROPIN JRNL TITL 2 RECEPTOR. JRNL REF NATURE 2022 JRNL REFN ESSN 1476-4687 JRNL DOI 10.1038/S41586-022-05173-3 REMARK 2 REMARK 2 RESOLUTION. 5.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : NULL REMARK 3 RECONSTRUCTION SCHEMA : NULL 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) : 5.500 REMARK 3 NUMBER OF PARTICLES : 52479 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 7XW7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-MAY-22. REMARK 100 THE DEPOSITION ID IS D_1300029735. 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 : TSHR-THYROID STIMULATING REMARK 245 HORMONE-GS-ML109 COMPLEX REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL 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 : NULL 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 : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1200.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2200.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 6000.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL 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: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, R REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLY R 21 REMARK 465 MET R 22 REMARK 465 GLY R 23 REMARK 465 CYS R 24 REMARK 465 SER R 25 REMARK 465 SER R 26 REMARK 465 GLN R 339 REMARK 465 LYS R 340 REMARK 465 LYS R 341 REMARK 465 ILE R 342 REMARK 465 ARG R 343 REMARK 465 GLY R 344 REMARK 465 ILE R 345 REMARK 465 LEU R 346 REMARK 465 GLU R 347 REMARK 465 SER R 348 REMARK 465 LEU R 349 REMARK 465 MET R 350 REMARK 465 CYS R 351 REMARK 465 ASN R 352 REMARK 465 GLU R 353 REMARK 465 SER R 354 REMARK 465 SER R 355 REMARK 465 MET R 356 REMARK 465 GLN R 357 REMARK 465 SER R 358 REMARK 465 LEU R 359 REMARK 465 ARG R 360 REMARK 465 GLN R 361 REMARK 465 ARG R 362 REMARK 465 LYS R 363 REMARK 465 SER R 364 REMARK 465 VAL R 365 REMARK 465 ASN R 366 REMARK 465 ASN R 367 REMARK 465 LYS R 368 REMARK 465 THR R 369 REMARK 465 LEU R 370 REMARK 465 LYS R 371 REMARK 465 ASN R 372 REMARK 465 PRO R 373 REMARK 465 GLN R 374 REMARK 465 GLU R 375 REMARK 465 GLU R 376 REMARK 465 THR R 377 REMARK 465 LEU R 378 REMARK 465 GLN R 379 REMARK 465 ALA R 380 REMARK 465 PHE R 381 REMARK 465 ASP R 382 REMARK 465 SER R 383 REMARK 465 HIS R 384 REMARK 465 TYR R 385 REMARK 465 ASP R 386 REMARK 465 TYR R 387 REMARK 465 THR R 388 REMARK 465 ILE R 389 REMARK 465 CYS R 390 REMARK 465 GLY R 391 REMARK 465 ASP R 392 REMARK 465 SER R 393 REMARK 465 GLU R 394 REMARK 465 LYS R 700 REMARK 465 ARG R 701 REMARK 465 GLN R 702 REMARK 465 ALA R 703 REMARK 465 GLN R 704 REMARK 465 ALA R 705 REMARK 465 TYR R 706 REMARK 465 ARG R 707 REMARK 465 GLY R 708 REMARK 465 GLN R 709 REMARK 465 ARG R 710 REMARK 465 VAL R 711 REMARK 465 PRO R 712 REMARK 465 PRO R 713 REMARK 465 LYS R 714 REMARK 465 ASN R 715 REMARK 465 SER R 716 REMARK 465 THR R 717 REMARK 465 ASP R 718 REMARK 465 ILE R 719 REMARK 465 GLN R 720 REMARK 465 VAL R 721 REMARK 465 GLN R 722 REMARK 465 LYS R 723 REMARK 465 VAL R 724 REMARK 465 THR R 725 REMARK 465 HIS R 726 REMARK 465 ASP R 727 REMARK 465 MET R 728 REMARK 465 ARG R 729 REMARK 465 GLN R 730 REMARK 465 GLY R 731 REMARK 465 LEU R 732 REMARK 465 HIS R 733 REMARK 465 ASN R 734 REMARK 465 MET R 735 REMARK 465 GLU R 736 REMARK 465 ASP R 737 REMARK 465 VAL R 738 REMARK 465 TYR R 739 REMARK 465 GLU R 740 REMARK 465 LEU R 741 REMARK 465 ILE R 742 REMARK 465 GLU R 743 REMARK 465 ASN R 744 REMARK 465 SER R 745 REMARK 465 HIS R 746 REMARK 465 LEU R 747 REMARK 465 THR R 748 REMARK 465 PRO R 749 REMARK 465 LYS R 750 REMARK 465 LYS R 751 REMARK 465 GLN R 752 REMARK 465 GLY R 753 REMARK 465 GLN R 754 REMARK 465 ILE R 755 REMARK 465 SER R 756 REMARK 465 GLU R 757 REMARK 465 GLU R 758 REMARK 465 TYR R 759 REMARK 465 MET R 760 REMARK 465 GLN R 761 REMARK 465 THR R 762 REMARK 465 VAL R 763 REMARK 465 LEU R 764 REMARK 465 HIS R 765 REMARK 465 HIS R 766 REMARK 465 HIS R 767 REMARK 465 HIS R 768 REMARK 465 HIS R 769 REMARK 465 HIS R 770 REMARK 465 HIS R 771 REMARK 465 HIS R 772 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 GLU A 1 CG CD OE1 OE2 REMARK 470 VAL A 2 CG1 CG2 REMARK 470 GLN A 3 CG CD OE1 NE2 REMARK 470 LEU A 4 CG CD1 CD2 REMARK 470 VAL A 5 CG1 CG2 REMARK 470 GLN A 6 CG CD OE1 NE2 REMARK 470 SER A 7 OG REMARK 470 GLU A 10 CG CD OE1 OE2 REMARK 470 VAL A 11 CG1 CG2 REMARK 470 LYS A 12 CG CD CE NZ REMARK 470 LYS A 13 CG CD CE NZ REMARK 470 PRO A 14 CG CD REMARK 470 GLN A 16 CG CD OE1 NE2 REMARK 470 SER A 17 OG REMARK 470 LEU A 18 CG CD1 CD2 REMARK 470 LYS A 19 CG CD CE NZ REMARK 470 ILE A 20 CG1 CG2 CD1 REMARK 470 SER A 21 OG REMARK 470 CYS A 22 SG REMARK 470 LYS A 23 CG CD CE NZ REMARK 470 SER A 25 OG REMARK 470 TYR A 27 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER A 28 OG REMARK 470 LEU A 29 CG CD1 CD2 REMARK 470 THR A 30 OG1 CG2 REMARK 470 ASP A 31 CG OD1 OD2 REMARK 470 ASN A 32 CG OD1 ND2 REMARK 470 TRP A 33 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 33 CZ3 CH2 REMARK 470 ILE A 34 CG1 CG2 CD1 REMARK 470 TRP A 36 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 36 CZ3 CH2 REMARK 470 VAL A 37 CG1 CG2 REMARK 470 ARG A 38 CG CD NE CZ NH1 NH2 REMARK 470 GLN A 39 CG CD OE1 NE2 REMARK 470 LYS A 40 CG CD CE NZ REMARK 470 PRO A 41 CG CD REMARK 470 LYS A 43 CG CD CE NZ REMARK 470 LEU A 45 CG CD1 CD2 REMARK 470 GLU A 46 CG CD OE1 OE2 REMARK 470 TRP A 47 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 47 CZ3 CH2 REMARK 470 MET A 48 CG SD CE REMARK 470 ILE A 50 CG1 CG2 CD1 REMARK 470 ILE A 51 CG1 CG2 CD1 REMARK 470 TYR A 52 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 PRO A 52A CG CD REMARK 470 ASP A 54 CG OD1 OD2 REMARK 470 SER A 55 OG REMARK 470 ASP A 56 CG OD1 OD2 REMARK 470 THR A 57 OG1 CG2 REMARK 470 ARG A 58 CG CD NE CZ NH1 NH2 REMARK 470 TYR A 59 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER A 60 OG REMARK 470 PRO A 61 CG CD REMARK 470 SER A 62 OG REMARK 470 PHE A 63 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLN A 64 CG CD OE1 NE2 REMARK 470 GLN A 66 CG CD OE1 NE2 REMARK 470 VAL A 67 CG1 CG2 REMARK 470 THR A 68 OG1 CG2 REMARK 470 ILE A 69 CG1 CG2 CD1 REMARK 470 SER A 70 OG REMARK 470 ASP A 72 CG OD1 OD2 REMARK 470 LYS A 73 CG CD CE NZ REMARK 470 SER A 74 OG REMARK 470 ILE A 75 CG1 CG2 CD1 REMARK 470 ASN A 76 CG OD1 ND2 REMARK 470 THR A 77 OG1 CG2 REMARK 470 TYR A 79 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LEU A 80 CG CD1 CD2 REMARK 470 GLN A 81 CG CD OE1 NE2 REMARK 470 TRP A 82 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 82 CZ3 CH2 REMARK 470 SER A 82A OG REMARK 470 SER A 82B OG REMARK 470 LEU A 82C CG CD1 CD2 REMARK 470 LYS A 83 CG CD CE NZ REMARK 470 SER A 85 OG REMARK 470 ASP A 86 CG OD1 OD2 REMARK 470 THR A 87 OG1 CG2 REMARK 470 ILE A 89 CG1 CG2 CD1 REMARK 470 TYR A 90 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TYR A 91 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 CYS A 92 SG REMARK 470 VAL A 93 CG1 CG2 REMARK 470 LEU A 95 CG CD1 CD2 REMARK 470 ASP A 96 CG OD1 OD2 REMARK 470 TRP A 97 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 97 CZ3 CH2 REMARK 470 ASN A 98 CG OD1 ND2 REMARK 470 TYR A 99 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN A 100 CG OD1 ND2 REMARK 470 PRO A 100A CG CD REMARK 470 LEU A 100B CG CD1 CD2 REMARK 470 ARG A 101 CG CD NE CZ NH1 NH2 REMARK 470 TYR A 102 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TRP A 103 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP A 103 CZ3 CH2 REMARK 470 PRO A 105 CG CD REMARK 470 THR A 107 OG1 CG2 REMARK 470 LEU A 108 CG CD1 CD2 REMARK 470 VAL A 109 CG1 CG2 REMARK 470 THR A 110 OG1 CG2 REMARK 470 VAL A 111 CG1 CG2 REMARK 470 SER A 112 OG REMARK 470 SER B 2 OG REMARK 470 VAL B 3 CG1 CG2 REMARK 470 LEU B 4 CG CD1 CD2 REMARK 470 THR B 5 OG1 CG2 REMARK 470 GLN B 6 CG CD OE1 NE2 REMARK 470 PRO B 7 CG CD REMARK 470 PRO B 8 CG CD REMARK 470 SER B 9 OG REMARK 470 VAL B 11 CG1 CG2 REMARK 470 SER B 12 OG REMARK 470 PRO B 15 CG CD REMARK 470 GLN B 17 CG CD OE1 NE2 REMARK 470 LYS B 18 CG CD CE NZ REMARK 470 VAL B 19 CG1 CG2 REMARK 470 THR B 20 OG1 CG2 REMARK 470 ILE B 21 CG1 CG2 CD1 REMARK 470 SER B 22 OG REMARK 470 CYS B 23 SG REMARK 470 SER B 24 OG REMARK 470 SER B 26 OG REMARK 470 SER B 27 OG REMARK 470 SER B 27A OG REMARK 470 ASP B 27B CG OD1 OD2 REMARK 470 ILE B 28 CG1 CG2 CD1 REMARK 470 SER B 30 OG REMARK 470 ASN B 31 CG OD1 ND2 REMARK 470 TYR B 32 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 VAL B 33 CG1 CG2 REMARK 470 SER B 34 OG REMARK 470 TRP B 35 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP B 35 CZ3 CH2 REMARK 470 TYR B 36 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLN B 37 CG CD OE1 NE2 REMARK 470 GLN B 38 CG CD OE1 NE2 REMARK 470 PHE B 39 CG CD1 CD2 CE1 CE2 CZ REMARK 470 PRO B 40 CG CD REMARK 470 THR B 42 OG1 CG2 REMARK 470 PRO B 44 CG CD REMARK 470 LYS B 45 CG CD CE NZ REMARK 470 LEU B 46 CG CD1 CD2 REMARK 470 LEU B 47 CG CD1 CD2 REMARK 470 ILE B 48 CG1 CG2 CD1 REMARK 470 TYR B 49 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASP B 50 CG OD1 OD2 REMARK 470 ASN B 51 CG OD1 ND2 REMARK 470 ASN B 52 CG OD1 ND2 REMARK 470 LYS B 53 CG CD CE NZ REMARK 470 ARG B 54 CG CD NE CZ NH1 NH2 REMARK 470 PRO B 55 CG CD REMARK 470 SER B 56 OG REMARK 470 ILE B 58 CG1 CG2 CD1 REMARK 470 PRO B 59 CG CD REMARK 470 ASP B 60 CG OD1 OD2 REMARK 470 ARG B 61 CG CD NE CZ NH1 NH2 REMARK 470 PHE B 62 CG CD1 CD2 CE1 CE2 CZ REMARK 470 SER B 63 OG REMARK 470 SER B 65 OG REMARK 470 LYS B 66 CG CD CE NZ REMARK 470 SER B 67 OG REMARK 470 THR B 69 OG1 CG2 REMARK 470 SER B 70 OG REMARK 470 THR B 72 OG1 CG2 REMARK 470 LEU B 73 CG CD1 CD2 REMARK 470 ILE B 75 CG1 CG2 CD1 REMARK 470 THR B 76 OG1 CG2 REMARK 470 LEU B 78 CG CD1 CD2 REMARK 470 GLN B 79 CG CD OE1 NE2 REMARK 470 THR B 80 OG1 CG2 REMARK 470 ASP B 82 CG OD1 OD2 REMARK 470 GLU B 83 CG CD OE1 OE2 REMARK 470 ASP B 85 CG OD1 OD2 REMARK 470 TYR B 86 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TYR B 87 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 CYS B 88 SG REMARK 470 THR B 90 OG1 CG2 REMARK 470 TRP B 91 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP B 91 CZ3 CH2 REMARK 470 ASP B 92 CG OD1 OD2 REMARK 470 SER B 93 OG REMARK 470 ARG B 94 CG CD NE CZ NH1 NH2 REMARK 470 LEU B 95 CG CD1 CD2 REMARK 470 ILE B 95B CG1 CG2 CD1 REMARK 470 VAL B 97 CG1 CG2 REMARK 470 PHE B 98 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR B 102 OG1 CG2 REMARK 470 GLN B 103 CG CD OE1 NE2 REMARK 470 LEU B 104 CG CD1 CD2 REMARK 470 THR B 105 OG1 CG2 REMARK 470 VAL B 106 CG1 CG2 REMARK 470 LEU B 106A CG CD1 CD2 REMARK 470 PRO R 27 CG CD REMARK 470 PRO R 28 CG CD REMARK 470 CYS R 29 SG REMARK 470 GLU R 30 CG CD OE1 OE2 REMARK 470 CYS R 31 SG REMARK 470 HIS R 32 CG ND1 CD2 CE1 NE2 REMARK 470 GLN R 33 CG CD OE1 NE2 REMARK 470 GLU R 34 CG CD OE1 OE2 REMARK 470 GLU R 35 CG CD OE1 OE2 REMARK 470 ASP R 36 CG OD1 OD2 REMARK 470 PHE R 37 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ARG R 38 CG CD NE CZ NH1 NH2 REMARK 470 VAL R 39 CG1 CG2 REMARK 470 THR R 40 OG1 CG2 REMARK 470 CYS R 41 SG REMARK 470 LYS R 42 CG CD CE NZ REMARK 470 ASP R 43 CG OD1 OD2 REMARK 470 ILE R 44 CG1 CG2 CD1 REMARK 470 GLN R 45 CG CD OE1 NE2 REMARK 470 ARG R 46 CG CD NE CZ NH1 NH2 REMARK 470 ILE R 47 CG1 CG2 CD1 REMARK 470 PRO R 48 CG CD REMARK 470 SER R 49 OG REMARK 470 LEU R 50 CG CD1 CD2 REMARK 470 PRO R 51 CG CD REMARK 470 PRO R 52 CG CD REMARK 470 SER R 53 OG REMARK 470 THR R 54 OG1 CG2 REMARK 470 GLN R 55 CG CD OE1 NE2 REMARK 470 THR R 56 OG1 CG2 REMARK 470 LEU R 57 CG CD1 CD2 REMARK 470 LYS R 58 CG CD CE NZ REMARK 470 LEU R 59 CG CD1 CD2 REMARK 470 ILE R 60 CG1 CG2 CD1 REMARK 470 GLU R 61 CG CD OE1 OE2 REMARK 470 THR R 62 OG1 CG2 REMARK 470 HIS R 63 CG ND1 CD2 CE1 NE2 REMARK 470 LEU R 64 CG CD1 CD2 REMARK 470 ARG R 65 CG CD NE CZ NH1 NH2 REMARK 470 THR R 66 OG1 CG2 REMARK 470 ILE R 67 CG1 CG2 CD1 REMARK 470 PRO R 68 CG CD REMARK 470 SER R 69 OG REMARK 470 HIS R 70 CG ND1 CD2 CE1 NE2 REMARK 470 PHE R 72 CG CD1 CD2 CE1 CE2 CZ REMARK 470 SER R 73 OG REMARK 470 ASN R 74 CG OD1 ND2 REMARK 470 LEU R 75 CG CD1 CD2 REMARK 470 PRO R 76 CG CD REMARK 470 ASN R 77 CG OD1 ND2 REMARK 470 ILE R 78 CG1 CG2 CD1 REMARK 470 SER R 79 OG REMARK 470 ARG R 80 CG CD NE CZ NH1 NH2 REMARK 470 ILE R 81 CG1 CG2 CD1 REMARK 470 TYR R 82 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 VAL R 83 CG1 CG2 REMARK 470 SER R 84 OG REMARK 470 ILE R 85 CG1 CG2 CD1 REMARK 470 ASP R 86 CG OD1 OD2 REMARK 470 VAL R 87 CG1 CG2 REMARK 470 THR R 88 OG1 CG2 REMARK 470 LEU R 89 CG CD1 CD2 REMARK 470 GLN R 90 CG CD OE1 NE2 REMARK 470 GLN R 91 CG CD OE1 NE2 REMARK 470 LEU R 92 CG CD1 CD2 REMARK 470 GLU R 93 CG CD OE1 OE2 REMARK 470 SER R 94 OG REMARK 470 HIS R 95 CG ND1 CD2 CE1 NE2 REMARK 470 SER R 96 OG REMARK 470 PHE R 97 CG CD1 CD2 CE1 CE2 CZ REMARK 470 TYR R 98 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN R 99 CG OD1 ND2 REMARK 470 LEU R 100 CG CD1 CD2 REMARK 470 SER R 101 OG REMARK 470 LYS R 102 CG CD CE NZ REMARK 470 VAL R 103 CG1 CG2 REMARK 470 THR R 104 OG1 CG2 REMARK 470 HIS R 105 CG ND1 CD2 CE1 NE2 REMARK 470 ILE R 106 CG1 CG2 CD1 REMARK 470 GLU R 107 CG CD OE1 OE2 REMARK 470 ILE R 108 CG1 CG2 CD1 REMARK 470 ARG R 109 CG CD NE CZ NH1 NH2 REMARK 470 ASN R 110 CG OD1 ND2 REMARK 470 THR R 111 OG1 CG2 REMARK 470 ARG R 112 CG CD NE CZ NH1 NH2 REMARK 470 ASN R 113 CG OD1 ND2 REMARK 470 LEU R 114 CG CD1 CD2 REMARK 470 THR R 115 OG1 CG2 REMARK 470 TYR R 116 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ILE R 117 CG1 CG2 CD1 REMARK 470 ASP R 118 CG OD1 OD2 REMARK 470 PRO R 119 CG CD REMARK 470 ASP R 120 CG OD1 OD2 REMARK 470 LEU R 122 CG CD1 CD2 REMARK 470 LYS R 123 CG CD CE NZ REMARK 470 GLU R 124 CG CD OE1 OE2 REMARK 470 LEU R 125 CG CD1 CD2 REMARK 470 PRO R 126 CG CD REMARK 470 LEU R 127 CG CD1 CD2 REMARK 470 LEU R 128 CG CD1 CD2 REMARK 470 LYS R 129 CG CD CE NZ REMARK 470 PHE R 130 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 131 CG CD1 CD2 REMARK 470 ILE R 133 CG1 CG2 CD1 REMARK 470 PHE R 134 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASN R 135 CG OD1 ND2 REMARK 470 THR R 136 OG1 CG2 REMARK 470 LEU R 138 CG CD1 CD2 REMARK 470 LYS R 139 CG CD CE NZ REMARK 470 MET R 140 CG SD CE REMARK 470 PHE R 141 CG CD1 CD2 CE1 CE2 CZ REMARK 470 PRO R 142 CG CD REMARK 470 ASP R 143 CG OD1 OD2 REMARK 470 LEU R 144 CG CD1 CD2 REMARK 470 THR R 145 OG1 CG2 REMARK 470 LYS R 146 CG CD CE NZ REMARK 470 VAL R 147 CG1 CG2 REMARK 470 TYR R 148 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER R 149 OG REMARK 470 THR R 150 OG1 CG2 REMARK 470 ASP R 151 CG OD1 OD2 REMARK 470 ILE R 152 CG1 CG2 CD1 REMARK 470 PHE R 153 CG CD1 CD2 CE1 CE2 CZ REMARK 470 PHE R 154 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ILE R 155 CG1 CG2 CD1 REMARK 470 LEU R 156 CG CD1 CD2 REMARK 470 GLU R 157 CG CD OE1 OE2 REMARK 470 ILE R 158 CG1 CG2 CD1 REMARK 470 THR R 159 OG1 CG2 REMARK 470 ASP R 160 CG OD1 OD2 REMARK 470 ASN R 161 CG OD1 ND2 REMARK 470 PRO R 162 CG CD REMARK 470 TYR R 163 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 MET R 164 CG SD CE REMARK 470 THR R 165 OG1 CG2 REMARK 470 SER R 166 OG REMARK 470 ILE R 167 CG1 CG2 CD1 REMARK 470 PRO R 168 CG CD REMARK 470 VAL R 169 CG1 CG2 REMARK 470 ASN R 170 CG OD1 ND2 REMARK 470 PHE R 172 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLN R 173 CG CD OE1 NE2 REMARK 470 LEU R 175 CG CD1 CD2 REMARK 470 CYS R 176 SG REMARK 470 ASN R 177 CG OD1 ND2 REMARK 470 GLU R 178 CG CD OE1 OE2 REMARK 470 THR R 179 OG1 CG2 REMARK 470 LEU R 180 CG CD1 CD2 REMARK 470 THR R 181 OG1 CG2 REMARK 470 LEU R 182 CG CD1 CD2 REMARK 470 LYS R 183 CG CD CE NZ REMARK 470 LEU R 184 CG CD1 CD2 REMARK 470 TYR R 185 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN R 186 CG OD1 ND2 REMARK 470 ASN R 187 CG OD1 ND2 REMARK 470 PHE R 189 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR R 190 OG1 CG2 REMARK 470 SER R 191 OG REMARK 470 VAL R 192 CG1 CG2 REMARK 470 GLN R 193 CG CD OE1 NE2 REMARK 470 TYR R 195 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 PHE R 197 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASN R 198 CG OD1 ND2 REMARK 470 THR R 200 OG1 CG2 REMARK 470 LYS R 201 CG CD CE NZ REMARK 470 LEU R 202 CG CD1 CD2 REMARK 470 ASP R 203 CG OD1 OD2 REMARK 470 VAL R 205 CG1 CG2 REMARK 470 TYR R 206 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LEU R 207 CG CD1 CD2 REMARK 470 ASN R 208 CG OD1 ND2 REMARK 470 LYS R 209 CG CD CE NZ REMARK 470 ASN R 210 CG OD1 ND2 REMARK 470 LYS R 211 CG CD CE NZ REMARK 470 TYR R 212 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LEU R 213 CG CD1 CD2 REMARK 470 THR R 214 OG1 CG2 REMARK 470 VAL R 215 CG1 CG2 REMARK 470 ILE R 216 CG1 CG2 CD1 REMARK 470 ASP R 217 CG OD1 OD2 REMARK 470 LYS R 218 CG CD CE NZ REMARK 470 ASP R 219 CG OD1 OD2 REMARK 470 PHE R 221 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL R 224 CG1 CG2 REMARK 470 TYR R 225 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER R 226 OG REMARK 470 PRO R 228 CG CD REMARK 470 SER R 229 OG REMARK 470 LEU R 230 CG CD1 CD2 REMARK 470 LEU R 231 CG CD1 CD2 REMARK 470 ASP R 232 CG OD1 OD2 REMARK 470 VAL R 233 CG1 CG2 REMARK 470 SER R 234 OG REMARK 470 GLN R 235 CG CD OE1 NE2 REMARK 470 THR R 236 OG1 CG2 REMARK 470 SER R 237 OG REMARK 470 VAL R 238 CG1 CG2 REMARK 470 THR R 239 OG1 CG2 REMARK 470 LEU R 241 CG CD1 CD2 REMARK 470 PRO R 242 CG CD REMARK 470 SER R 243 OG REMARK 470 LYS R 244 CG CD CE NZ REMARK 470 LEU R 246 CG CD1 CD2 REMARK 470 GLU R 247 CG CD OE1 OE2 REMARK 470 HIS R 248 CG ND1 CD2 CE1 NE2 REMARK 470 LEU R 249 CG CD1 CD2 REMARK 470 LYS R 250 CG CD CE NZ REMARK 470 GLU R 251 CG CD OE1 OE2 REMARK 470 LEU R 252 CG CD1 CD2 REMARK 470 ILE R 253 CG1 CG2 CD1 REMARK 470 ARG R 255 CG CD NE CZ NH1 NH2 REMARK 470 ASN R 256 CG OD1 ND2 REMARK 470 THR R 257 OG1 CG2 REMARK 470 TRP R 258 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP R 258 CZ3 CH2 REMARK 470 THR R 259 OG1 CG2 REMARK 470 LEU R 260 CG CD1 CD2 REMARK 470 LYS R 261 CG CD CE NZ REMARK 470 LYS R 262 CG CD CE NZ REMARK 470 LEU R 263 CG CD1 CD2 REMARK 470 PRO R 264 CG CD REMARK 470 LEU R 265 CG CD1 CD2 REMARK 470 SER R 266 OG REMARK 470 LEU R 267 CG CD1 CD2 REMARK 470 SER R 268 OG REMARK 470 PHE R 269 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 270 CG CD1 CD2 REMARK 470 HIS R 271 CG ND1 CD2 CE1 NE2 REMARK 470 LEU R 272 CG CD1 CD2 REMARK 470 THR R 273 OG1 CG2 REMARK 470 ARG R 274 CG CD NE CZ NH1 NH2 REMARK 470 ASP R 276 CG OD1 OD2 REMARK 470 LEU R 277 CG CD1 CD2 REMARK 470 SER R 278 OG REMARK 470 TYR R 279 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 PRO R 280 CG CD REMARK 470 SER R 281 OG REMARK 470 HIS R 282 CG ND1 CD2 CE1 NE2 REMARK 470 CYS R 283 SG REMARK 470 CYS R 284 SG REMARK 470 PHE R 286 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LYS R 287 CG CD CE NZ REMARK 470 ASN R 288 CG OD1 ND2 REMARK 470 ASP R 395 CG OD1 OD2 REMARK 470 MET R 396 CG SD CE REMARK 470 VAL R 397 CG1 CG2 REMARK 470 CYS R 398 SG REMARK 470 THR R 399 OG1 CG2 REMARK 470 PRO R 400 CG CD REMARK 470 LYS R 401 CG CD CE NZ REMARK 470 SER R 402 OG REMARK 470 ASP R 403 CG OD1 OD2 REMARK 470 GLU R 404 CG CD OE1 OE2 REMARK 470 PHE R 405 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASN R 406 CG OD1 ND2 REMARK 470 PRO R 407 CG CD REMARK 470 CYS R 408 SG REMARK 470 GLU R 409 CG CD OE1 OE2 REMARK 470 ASP R 410 CG OD1 OD2 REMARK 470 ILE R 411 CG1 CG2 CD1 REMARK 470 MET R 412 CG SD CE REMARK 470 TYR R 414 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LYS R 415 CG CD CE NZ REMARK 470 PHE R 416 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 417 CG CD1 CD2 REMARK 470 ARG R 418 CG CD NE CZ NH1 NH2 REMARK 470 ILE R 419 CG1 CG2 CD1 REMARK 470 VAL R 420 CG1 CG2 REMARK 470 VAL R 421 CG1 CG2 REMARK 470 TRP R 422 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP R 422 CZ3 CH2 REMARK 470 PHE R 423 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL R 424 CG1 CG2 REMARK 470 SER R 425 OG REMARK 470 LEU R 426 CG CD1 CD2 REMARK 470 LEU R 427 CG CD1 CD2 REMARK 470 LEU R 429 CG CD1 CD2 REMARK 470 LEU R 430 CG CD1 CD2 REMARK 470 ASN R 432 CG OD1 ND2 REMARK 470 VAL R 433 CG1 CG2 REMARK 470 PHE R 434 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL R 435 CG1 CG2 REMARK 470 LEU R 436 CG CD1 CD2 REMARK 470 LEU R 437 CG CD1 CD2 REMARK 470 ILE R 438 CG1 CG2 CD1 REMARK 470 LEU R 439 CG CD1 CD2 REMARK 470 LEU R 440 CG CD1 CD2 REMARK 470 THR R 441 OG1 CG2 REMARK 470 SER R 442 OG REMARK 470 HIS R 443 CG ND1 CD2 CE1 NE2 REMARK 470 TYR R 444 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LYS R 445 CG CD CE NZ REMARK 470 LEU R 446 CG CD1 CD2 REMARK 470 ASN R 447 CG OD1 ND2 REMARK 470 VAL R 448 CG1 CG2 REMARK 470 PRO R 449 CG CD REMARK 470 ARG R 450 CG CD NE CZ NH1 NH2 REMARK 470 PHE R 451 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 452 CG CD1 CD2 REMARK 470 MET R 453 CG SD CE REMARK 470 CYS R 454 SG REMARK 470 ASN R 455 CG OD1 ND2 REMARK 470 LEU R 456 CG CD1 CD2 REMARK 470 PHE R 458 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASP R 460 CG OD1 OD2 REMARK 470 PHE R 461 CG CD1 CD2 CE1 CE2 CZ REMARK 470 CYS R 462 SG REMARK 470 MET R 463 CG SD CE REMARK 470 MET R 465 CG SD CE REMARK 470 TYR R 466 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LEU R 467 CG CD1 CD2 REMARK 470 LEU R 468 CG CD1 CD2 REMARK 470 LEU R 469 CG CD1 CD2 REMARK 470 ILE R 470 CG1 CG2 CD1 REMARK 470 SER R 472 OG REMARK 470 VAL R 473 CG1 CG2 REMARK 470 ASP R 474 CG OD1 OD2 REMARK 470 LEU R 475 CG CD1 CD2 REMARK 470 TYR R 476 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 THR R 477 OG1 CG2 REMARK 470 HIS R 478 CG ND1 CD2 CE1 NE2 REMARK 470 SER R 479 OG REMARK 470 GLU R 480 CG CD OE1 OE2 REMARK 470 TYR R 481 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TYR R 482 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN R 483 CG OD1 ND2 REMARK 470 HIS R 484 CG ND1 CD2 CE1 NE2 REMARK 470 ILE R 486 CG1 CG2 CD1 REMARK 470 ASP R 487 CG OD1 OD2 REMARK 470 TRP R 488 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP R 488 CZ3 CH2 REMARK 470 GLN R 489 CG CD OE1 NE2 REMARK 470 THR R 490 OG1 CG2 REMARK 470 PRO R 492 CG CD REMARK 470 CYS R 494 SG REMARK 470 ASN R 495 CG OD1 ND2 REMARK 470 THR R 496 OG1 CG2 REMARK 470 PHE R 499 CG CD1 CD2 CE1 CE2 CZ REMARK 470 PHE R 500 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR R 501 OG1 CG2 REMARK 470 VAL R 502 CG1 CG2 REMARK 470 PHE R 503 CG CD1 CD2 CE1 CE2 CZ REMARK 470 SER R 505 OG REMARK 470 GLU R 506 CG CD OE1 OE2 REMARK 470 LEU R 507 CG CD1 CD2 REMARK 470 SER R 508 OG REMARK 470 VAL R 509 CG1 CG2 REMARK 470 TYR R 510 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 THR R 511 OG1 CG2 REMARK 470 LEU R 512 CG CD1 CD2 REMARK 470 THR R 513 OG1 CG2 REMARK 470 VAL R 514 CG1 CG2 REMARK 470 ILE R 515 CG1 CG2 CD1 REMARK 470 THR R 516 OG1 CG2 REMARK 470 LEU R 517 CG CD1 CD2 REMARK 470 GLU R 518 CG CD OE1 OE2 REMARK 470 ARG R 519 CG CD NE CZ NH1 NH2 REMARK 470 TRP R 520 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP R 520 CZ3 CH2 REMARK 470 TYR R 521 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ILE R 523 CG1 CG2 CD1 REMARK 470 THR R 524 OG1 CG2 REMARK 470 PHE R 525 CG CD1 CD2 CE1 CE2 CZ REMARK 470 MET R 527 CG SD CE REMARK 470 ARG R 528 CG CD NE CZ NH1 NH2 REMARK 470 LEU R 529 CG CD1 CD2 REMARK 470 ASP R 530 CG OD1 OD2 REMARK 470 ARG R 531 CG CD NE CZ NH1 NH2 REMARK 470 LYS R 532 CG CD CE NZ REMARK 470 ILE R 533 CG1 CG2 CD1 REMARK 470 ARG R 534 CG CD NE CZ NH1 NH2 REMARK 470 LEU R 535 CG CD1 CD2 REMARK 470 ARG R 536 CG CD NE CZ NH1 NH2 REMARK 470 HIS R 537 CG ND1 CD2 CE1 NE2 REMARK 470 CYS R 539 SG REMARK 470 ILE R 541 CG1 CG2 CD1 REMARK 470 MET R 542 CG SD CE REMARK 470 VAL R 543 CG1 CG2 REMARK 470 TRP R 546 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP R 546 CZ3 CH2 REMARK 470 VAL R 547 CG1 CG2 REMARK 470 CYS R 548 SG REMARK 470 CYS R 549 SG REMARK 470 PHE R 550 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 551 CG CD1 CD2 REMARK 470 LEU R 552 CG CD1 CD2 REMARK 470 LEU R 554 CG CD1 CD2 REMARK 470 LEU R 555 CG CD1 CD2 REMARK 470 PRO R 556 CG CD REMARK 470 LEU R 557 CG CD1 CD2 REMARK 470 VAL R 558 CG1 CG2 REMARK 470 ILE R 560 CG1 CG2 CD1 REMARK 470 SER R 561 OG REMARK 470 SER R 562 OG REMARK 470 TYR R 563 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LYS R 565 CG CD CE NZ REMARK 470 VAL R 566 CG1 CG2 REMARK 470 SER R 567 OG REMARK 470 ILE R 568 CG1 CG2 CD1 REMARK 470 CYS R 569 SG REMARK 470 LEU R 570 CG CD1 CD2 REMARK 470 PRO R 571 CG CD REMARK 470 MET R 572 CG SD CE REMARK 470 ASP R 573 CG OD1 OD2 REMARK 470 THR R 574 OG1 CG2 REMARK 470 GLU R 575 CG CD OE1 OE2 REMARK 470 THR R 576 OG1 CG2 REMARK 470 PRO R 577 CG CD REMARK 470 LEU R 578 CG CD1 CD2 REMARK 470 LEU R 580 CG CD1 CD2 REMARK 470 TYR R 582 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ILE R 583 CG1 CG2 CD1 REMARK 470 VAL R 584 CG1 CG2 REMARK 470 PHE R 585 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL R 586 CG1 CG2 REMARK 470 LEU R 587 CG CD1 CD2 REMARK 470 THR R 588 OG1 CG2 REMARK 470 LEU R 589 CG CD1 CD2 REMARK 470 ASN R 590 CG OD1 ND2 REMARK 470 ILE R 591 CG1 CG2 CD1 REMARK 470 VAL R 592 CG1 CG2 REMARK 470 PHE R 594 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL R 595 CG1 CG2 REMARK 470 ILE R 596 CG1 CG2 CD1 REMARK 470 VAL R 597 CG1 CG2 REMARK 470 CYS R 598 SG REMARK 470 CYS R 599 SG REMARK 470 CYS R 600 SG REMARK 470 TYR R 601 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 VAL R 602 CG1 CG2 REMARK 470 LYS R 603 CG CD CE NZ REMARK 470 ILE R 604 CG1 CG2 CD1 REMARK 470 TYR R 605 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ILE R 606 CG1 CG2 CD1 REMARK 470 THR R 607 OG1 CG2 REMARK 470 VAL R 608 CG1 CG2 REMARK 470 ARG R 609 CG CD NE CZ NH1 NH2 REMARK 470 ASN R 610 CG OD1 ND2 REMARK 470 PRO R 611 CG CD REMARK 470 GLN R 612 CG CD OE1 NE2 REMARK 470 TYR R 613 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN R 614 CG OD1 ND2 REMARK 470 PRO R 615 CG CD REMARK 470 ASP R 617 CG OD1 OD2 REMARK 470 LYS R 618 CG CD CE NZ REMARK 470 ASP R 619 CG OD1 OD2 REMARK 470 THR R 620 OG1 CG2 REMARK 470 LYS R 621 CG CD CE NZ REMARK 470 ILE R 622 CG1 CG2 CD1 REMARK 470 LYS R 624 CG CD CE NZ REMARK 470 ARG R 625 CG CD NE CZ NH1 NH2 REMARK 470 MET R 626 CG SD CE REMARK 470 VAL R 628 CG1 CG2 REMARK 470 LEU R 629 CG CD1 CD2 REMARK 470 ILE R 630 CG1 CG2 CD1 REMARK 470 PHE R 631 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR R 632 OG1 CG2 REMARK 470 ASP R 633 CG OD1 OD2 REMARK 470 PHE R 634 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ILE R 635 CG1 CG2 CD1 REMARK 470 CYS R 636 SG REMARK 470 MET R 637 CG SD CE REMARK 470 PRO R 639 CG CD REMARK 470 ILE R 640 CG1 CG2 CD1 REMARK 470 SER R 641 OG REMARK 470 PHE R 642 CG CD1 CD2 CE1 CE2 CZ REMARK 470 TYR R 643 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LEU R 645 CG CD1 CD2 REMARK 470 SER R 646 OG REMARK 470 ILE R 648 CG1 CG2 CD1 REMARK 470 LEU R 649 CG CD1 CD2 REMARK 470 ASN R 650 CG OD1 ND2 REMARK 470 LYS R 651 CG CD CE NZ REMARK 470 PRO R 652 CG CD REMARK 470 LEU R 653 CG CD1 CD2 REMARK 470 ILE R 654 CG1 CG2 CD1 REMARK 470 THR R 655 OG1 CG2 REMARK 470 VAL R 656 CG1 CG2 REMARK 470 SER R 657 OG REMARK 470 ASN R 658 CG OD1 ND2 REMARK 470 SER R 659 OG REMARK 470 LYS R 660 CG CD CE NZ REMARK 470 ILE R 661 CG1 CG2 CD1 REMARK 470 LEU R 662 CG CD1 CD2 REMARK 470 LEU R 663 CG CD1 CD2 REMARK 470 VAL R 664 CG1 CG2 REMARK 470 LEU R 665 CG CD1 CD2 REMARK 470 PHE R 666 CG CD1 CD2 CE1 CE2 CZ REMARK 470 TYR R 667 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 PRO R 668 CG CD REMARK 470 LEU R 669 CG CD1 CD2 REMARK 470 ASN R 670 CG OD1 ND2 REMARK 470 SER R 671 OG REMARK 470 CYS R 672 SG REMARK 470 ASN R 674 CG OD1 ND2 REMARK 470 PRO R 675 CG CD REMARK 470 PHE R 676 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LEU R 677 CG CD1 CD2 REMARK 470 TYR R 678 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ILE R 680 CG1 CG2 CD1 REMARK 470 PHE R 681 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR R 682 OG1 CG2 REMARK 470 LYS R 683 CG CD CE NZ REMARK 470 PHE R 685 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLN R 686 CG CD OE1 NE2 REMARK 470 ARG R 687 CG CD NE CZ NH1 NH2 REMARK 470 ASP R 688 CG OD1 OD2 REMARK 470 VAL R 689 CG1 CG2 REMARK 470 PHE R 690 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ILE R 691 CG1 CG2 CD1 REMARK 470 LEU R 692 CG CD1 CD2 REMARK 470 LEU R 693 CG CD1 CD2 REMARK 470 SER R 694 OG REMARK 470 LYS R 695 CG CD CE NZ REMARK 470 PHE R 696 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ILE R 698 CG1 CG2 CD1 REMARK 470 CYS R 699 SG REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN B 51 -1.35 69.26 REMARK 500 ASN B 52 -0.30 -146.05 REMARK 500 ASN R 161 73.87 -119.06 REMARK 500 LEU R 184 34.04 -99.53 REMARK 500 PRO R 264 -178.54 -69.47 REMARK 500 SER R 402 77.46 57.20 REMARK 500 PRO R 407 54.93 -91.61 REMARK 500 GLU R 409 -155.75 -143.55 REMARK 500 GLU R 480 31.74 -144.69 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-33493 RELATED DB: EMDB REMARK 900 TSHR-K1-70 COMPLEX DBREF 7XW7 A 1 112 PDB 7XW7 7XW7 1 112 DBREF 7XW7 B 2 106A PDB 7XW7 7XW7 2 106 DBREF 7XW7 R 21 764 UNP P16473 TSHR_HUMAN 21 764 SEQADV 7XW7 R UNP P16473 ALA 317 DELETION SEQADV 7XW7 R UNP P16473 LEU 318 DELETION SEQADV 7XW7 R UNP P16473 ASN 319 DELETION SEQADV 7XW7 R UNP P16473 SER 320 DELETION SEQADV 7XW7 R UNP P16473 PRO 321 DELETION SEQADV 7XW7 R UNP P16473 LEU 322 DELETION SEQADV 7XW7 R UNP P16473 HIS 323 DELETION SEQADV 7XW7 R UNP P16473 GLN 324 DELETION SEQADV 7XW7 R UNP P16473 GLU 325 DELETION SEQADV 7XW7 R UNP P16473 TYR 326 DELETION SEQADV 7XW7 R UNP P16473 GLU 327 DELETION SEQADV 7XW7 R UNP P16473 GLU 328 DELETION SEQADV 7XW7 R UNP P16473 ASN 329 DELETION SEQADV 7XW7 R UNP P16473 LEU 330 DELETION SEQADV 7XW7 R UNP P16473 GLY 331 DELETION SEQADV 7XW7 R UNP P16473 ASP 332 DELETION SEQADV 7XW7 R UNP P16473 SER 333 DELETION SEQADV 7XW7 R UNP P16473 ILE 334 DELETION SEQADV 7XW7 R UNP P16473 VAL 335 DELETION SEQADV 7XW7 R UNP P16473 GLY 336 DELETION SEQADV 7XW7 R UNP P16473 TYR 337 DELETION SEQADV 7XW7 R UNP P16473 LYS 338 DELETION SEQADV 7XW7 R UNP P16473 GLU 339 DELETION SEQADV 7XW7 R UNP P16473 LYS 340 DELETION SEQADV 7XW7 R UNP P16473 SER 341 DELETION SEQADV 7XW7 R UNP P16473 LYS 342 DELETION SEQADV 7XW7 R UNP P16473 PHE 343 DELETION SEQADV 7XW7 R UNP P16473 GLN 344 DELETION SEQADV 7XW7 R UNP P16473 ASP 345 DELETION SEQADV 7XW7 R UNP P16473 THR 346 DELETION SEQADV 7XW7 R UNP P16473 HIS 347 DELETION SEQADV 7XW7 R UNP P16473 ASN 348 DELETION SEQADV 7XW7 R UNP P16473 ASN 349 DELETION SEQADV 7XW7 R UNP P16473 ALA 350 DELETION SEQADV 7XW7 R UNP P16473 HIS 351 DELETION SEQADV 7XW7 R UNP P16473 TYR 352 DELETION SEQADV 7XW7 R UNP P16473 TYR 353 DELETION SEQADV 7XW7 R UNP P16473 VAL 354 DELETION SEQADV 7XW7 R UNP P16473 PHE 355 DELETION SEQADV 7XW7 R UNP P16473 PHE 356 DELETION SEQADV 7XW7 R UNP P16473 GLU 357 DELETION SEQADV 7XW7 R UNP P16473 GLU 358 DELETION SEQADV 7XW7 R UNP P16473 GLN 359 DELETION SEQADV 7XW7 R UNP P16473 GLU 360 DELETION SEQADV 7XW7 R UNP P16473 ASP 361 DELETION SEQADV 7XW7 R UNP P16473 GLU 362 DELETION SEQADV 7XW7 R UNP P16473 ILE 363 DELETION SEQADV 7XW7 R UNP P16473 ILE 364 DELETION SEQADV 7XW7 R UNP P16473 GLY 365 DELETION SEQADV 7XW7 R UNP P16473 PHE 366 DELETION SEQADV 7XW7 ASN R 367 UNP P16473 GLY 367 CONFLICT SEQADV 7XW7 LYS R 368 UNP P16473 GLN 368 CONFLICT SEQADV 7XW7 THR R 369 UNP P16473 GLU 369 CONFLICT SEQADV 7XW7 HIS R 765 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 766 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 767 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 768 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 769 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 770 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 771 UNP P16473 EXPRESSION TAG SEQADV 7XW7 HIS R 772 UNP P16473 EXPRESSION TAG SEQRES 1 A 118 GLU VAL GLN LEU VAL GLN SER GLY ALA GLU VAL LYS LYS SEQRES 2 A 118 PRO GLY GLN SER LEU LYS ILE SER CYS LYS ALA SER GLY SEQRES 3 A 118 TYR SER LEU THR ASP ASN TRP ILE GLY TRP VAL ARG GLN SEQRES 4 A 118 LYS PRO GLY LYS GLY LEU GLU TRP MET GLY ILE ILE TYR SEQRES 5 A 118 PRO GLY ASP SER ASP THR ARG TYR SER PRO SER PHE GLN SEQRES 6 A 118 GLY GLN VAL THR ILE SER ALA ASP LYS SER ILE ASN THR SEQRES 7 A 118 ALA TYR LEU GLN TRP SER SER LEU LYS ALA SER ASP THR SEQRES 8 A 118 ALA ILE TYR TYR CYS VAL GLY LEU ASP TRP ASN TYR ASN SEQRES 9 A 118 PRO LEU ARG TYR TRP GLY PRO GLY THR LEU VAL THR VAL SEQRES 10 A 118 SER SEQRES 1 B 109 SER VAL LEU THR GLN PRO PRO SER VAL SER ALA ALA PRO SEQRES 2 B 109 GLY GLN LYS VAL THR ILE SER CYS SER GLY SER SER SER SEQRES 3 B 109 ASP ILE GLY SER ASN TYR VAL SER TRP TYR GLN GLN PHE SEQRES 4 B 109 PRO GLY THR ALA PRO LYS LEU LEU ILE TYR ASP ASN ASN SEQRES 5 B 109 LYS ARG PRO SER ALA ILE PRO ASP ARG PHE SER GLY SER SEQRES 6 B 109 LYS SER GLY THR SER ALA THR LEU GLY ILE THR GLY LEU SEQRES 7 B 109 GLN THR GLY ASP GLU ALA ASP TYR TYR CYS GLY THR TRP SEQRES 8 B 109 ASP SER ARG LEU GLY ILE ALA VAL PHE GLY GLY GLY THR SEQRES 9 B 109 GLN LEU THR VAL LEU SEQRES 1 R 702 GLY MET GLY CYS SER SER PRO PRO CYS GLU CYS HIS GLN SEQRES 2 R 702 GLU GLU ASP PHE ARG VAL THR CYS LYS ASP ILE GLN ARG SEQRES 3 R 702 ILE PRO SER LEU PRO PRO SER THR GLN THR LEU LYS LEU SEQRES 4 R 702 ILE GLU THR HIS LEU ARG THR ILE PRO SER HIS ALA PHE SEQRES 5 R 702 SER ASN LEU PRO ASN ILE SER ARG ILE TYR VAL SER ILE SEQRES 6 R 702 ASP VAL THR LEU GLN GLN LEU GLU SER HIS SER PHE TYR SEQRES 7 R 702 ASN LEU SER LYS VAL THR HIS ILE GLU ILE ARG ASN THR SEQRES 8 R 702 ARG ASN LEU THR TYR ILE ASP PRO ASP ALA LEU LYS GLU SEQRES 9 R 702 LEU PRO LEU LEU LYS PHE LEU GLY ILE PHE ASN THR GLY SEQRES 10 R 702 LEU LYS MET PHE PRO ASP LEU THR LYS VAL TYR SER THR SEQRES 11 R 702 ASP ILE PHE PHE ILE LEU GLU ILE THR ASP ASN PRO TYR SEQRES 12 R 702 MET THR SER ILE PRO VAL ASN ALA PHE GLN GLY LEU CYS SEQRES 13 R 702 ASN GLU THR LEU THR LEU LYS LEU TYR ASN ASN GLY PHE SEQRES 14 R 702 THR SER VAL GLN GLY TYR ALA PHE ASN GLY THR LYS LEU SEQRES 15 R 702 ASP ALA VAL TYR LEU ASN LYS ASN LYS TYR LEU THR VAL SEQRES 16 R 702 ILE ASP LYS ASP ALA PHE GLY GLY VAL TYR SER GLY PRO SEQRES 17 R 702 SER LEU LEU ASP VAL SER GLN THR SER VAL THR ALA LEU SEQRES 18 R 702 PRO SER LYS GLY LEU GLU HIS LEU LYS GLU LEU ILE ALA SEQRES 19 R 702 ARG ASN THR TRP THR LEU LYS LYS LEU PRO LEU SER LEU SEQRES 20 R 702 SER PHE LEU HIS LEU THR ARG ALA ASP LEU SER TYR PRO SEQRES 21 R 702 SER HIS CYS CYS ALA PHE LYS ASN GLN LYS LYS ILE ARG SEQRES 22 R 702 GLY ILE LEU GLU SER LEU MET CYS ASN GLU SER SER MET SEQRES 23 R 702 GLN SER LEU ARG GLN ARG LYS SER VAL ASN ASN LYS THR SEQRES 24 R 702 LEU LYS ASN PRO GLN GLU GLU THR LEU GLN ALA PHE ASP SEQRES 25 R 702 SER HIS TYR ASP TYR THR ILE CYS GLY ASP SER GLU ASP SEQRES 26 R 702 MET VAL CYS THR PRO LYS SER ASP GLU PHE ASN PRO CYS SEQRES 27 R 702 GLU ASP ILE MET GLY TYR LYS PHE LEU ARG ILE VAL VAL SEQRES 28 R 702 TRP PHE VAL SER LEU LEU ALA LEU LEU GLY ASN VAL PHE SEQRES 29 R 702 VAL LEU LEU ILE LEU LEU THR SER HIS TYR LYS LEU ASN SEQRES 30 R 702 VAL PRO ARG PHE LEU MET CYS ASN LEU ALA PHE ALA ASP SEQRES 31 R 702 PHE CYS MET GLY MET TYR LEU LEU LEU ILE ALA SER VAL SEQRES 32 R 702 ASP LEU TYR THR HIS SER GLU TYR TYR ASN HIS ALA ILE SEQRES 33 R 702 ASP TRP GLN THR GLY PRO GLY CYS ASN THR ALA GLY PHE SEQRES 34 R 702 PHE THR VAL PHE ALA SER GLU LEU SER VAL TYR THR LEU SEQRES 35 R 702 THR VAL ILE THR LEU GLU ARG TRP TYR ALA ILE THR PHE SEQRES 36 R 702 ALA MET ARG LEU ASP ARG LYS ILE ARG LEU ARG HIS ALA SEQRES 37 R 702 CYS ALA ILE MET VAL GLY GLY TRP VAL CYS CYS PHE LEU SEQRES 38 R 702 LEU ALA LEU LEU PRO LEU VAL GLY ILE SER SER TYR ALA SEQRES 39 R 702 LYS VAL SER ILE CYS LEU PRO MET ASP THR GLU THR PRO SEQRES 40 R 702 LEU ALA LEU ALA TYR ILE VAL PHE VAL LEU THR LEU ASN SEQRES 41 R 702 ILE VAL ALA PHE VAL ILE VAL CYS CYS CYS TYR VAL LYS SEQRES 42 R 702 ILE TYR ILE THR VAL ARG ASN PRO GLN TYR ASN PRO GLY SEQRES 43 R 702 ASP LYS ASP THR LYS ILE ALA LYS ARG MET ALA VAL LEU SEQRES 44 R 702 ILE PHE THR ASP PHE ILE CYS MET ALA PRO ILE SER PHE SEQRES 45 R 702 TYR ALA LEU SER ALA ILE LEU ASN LYS PRO LEU ILE THR SEQRES 46 R 702 VAL SER ASN SER LYS ILE LEU LEU VAL LEU PHE TYR PRO SEQRES 47 R 702 LEU ASN SER CYS ALA ASN PRO PHE LEU TYR ALA ILE PHE SEQRES 48 R 702 THR LYS ALA PHE GLN ARG ASP VAL PHE ILE LEU LEU SER SEQRES 49 R 702 LYS PHE GLY ILE CYS LYS ARG GLN ALA GLN ALA TYR ARG SEQRES 50 R 702 GLY GLN ARG VAL PRO PRO LYS ASN SER THR ASP ILE GLN SEQRES 51 R 702 VAL GLN LYS VAL THR HIS ASP MET ARG GLN GLY LEU HIS SEQRES 52 R 702 ASN MET GLU ASP VAL TYR GLU LEU ILE GLU ASN SER HIS SEQRES 53 R 702 LEU THR PRO LYS LYS GLN GLY GLN ILE SER GLU GLU TYR SEQRES 54 R 702 MET GLN THR VAL LEU HIS HIS HIS HIS HIS HIS HIS HIS HELIX 1 AA1 LYS A 83 THR A 87 5 5 HELIX 2 AA2 GLN B 79 GLU B 83 5 5 HELIX 3 AA3 LEU R 265 LEU R 270 5 6 HELIX 4 AA4 TYR R 279 LYS R 287 5 9 HELIX 5 AA5 TYR R 414 SER R 442 1 29 HELIX 6 AA6 ASN R 447 THR R 477 1 31 HELIX 7 AA7 GLU R 480 GLY R 491 1 12 HELIX 8 AA8 GLY R 491 PHE R 525 1 35 HELIX 9 AA9 ARG R 528 LYS R 532 5 5 HELIX 10 AB1 ARG R 534 LEU R 555 1 22 HELIX 11 AB2 SER R 562 VAL R 566 5 5 HELIX 12 AB3 THR R 576 ASN R 610 1 35 HELIX 13 AB4 GLY R 616 LEU R 649 1 34 HELIX 14 AB5 THR R 655 ALA R 679 1 25 HELIX 15 AB6 THR R 682 PHE R 696 1 15 SHEET 1 AA1 4 GLN A 3 GLN A 6 0 SHEET 2 AA1 4 LEU A 18 SER A 25 -1 O SER A 25 N GLN A 3 SHEET 3 AA1 4 THR A 77 TRP A 82 -1 O LEU A 80 N ILE A 20 SHEET 4 AA1 4 THR A 68 ASP A 72 -1 N SER A 70 O TYR A 79 SHEET 1 AA2 6 GLU A 10 LYS A 12 0 SHEET 2 AA2 6 THR A 107 VAL A 111 1 O THR A 110 N LYS A 12 SHEET 3 AA2 6 ALA A 88 LEU A 95 -1 N TYR A 90 O THR A 107 SHEET 4 AA2 6 TRP A 33 GLN A 39 -1 N GLN A 39 O ILE A 89 SHEET 5 AA2 6 LEU A 45 TYR A 52 -1 O GLU A 46 N ARG A 38 SHEET 6 AA2 6 ASP A 56 TYR A 59 -1 O ARG A 58 N ILE A 50 SHEET 1 AA3 4 GLU A 10 LYS A 12 0 SHEET 2 AA3 4 THR A 107 VAL A 111 1 O THR A 110 N LYS A 12 SHEET 3 AA3 4 ALA A 88 LEU A 95 -1 N TYR A 90 O THR A 107 SHEET 4 AA3 4 TYR A 102 TRP A 103 -1 O TYR A 102 N GLY A 94 SHEET 1 AA4 5 SER B 9 ALA B 13 0 SHEET 2 AA4 5 THR B 102 VAL B 106 1 O GLN B 103 N VAL B 11 SHEET 3 AA4 5 ASP B 85 TRP B 91 -1 N TYR B 86 O THR B 102 SHEET 4 AA4 5 SER B 34 GLN B 38 -1 N GLN B 38 O ASP B 85 SHEET 5 AA4 5 LYS B 45 ILE B 48 -1 O ILE B 48 N TRP B 35 SHEET 1 AA5 4 SER B 9 ALA B 13 0 SHEET 2 AA5 4 THR B 102 VAL B 106 1 O GLN B 103 N VAL B 11 SHEET 3 AA5 4 ASP B 85 TRP B 91 -1 N TYR B 86 O THR B 102 SHEET 4 AA5 4 ALA B 96 PHE B 98 -1 O VAL B 97 N THR B 90 SHEET 1 AA6 3 VAL B 19 SER B 24 0 SHEET 2 AA6 3 SER B 70 ILE B 75 -1 O LEU B 73 N ILE B 21 SHEET 3 AA6 3 PHE B 62 SER B 67 -1 N SER B 65 O THR B 72 SHEET 1 AA713 GLU R 30 GLN R 33 0 SHEET 2 AA713 PHE R 37 LYS R 42 -1 O ARG R 38 N HIS R 32 SHEET 3 AA713 THR R 56 ILE R 60 1 O LYS R 58 N CYS R 41 SHEET 4 AA713 ARG R 80 SER R 84 1 O ARG R 80 N LEU R 57 SHEET 5 AA713 HIS R 105 THR R 111 1 O ARG R 109 N VAL R 83 SHEET 6 AA713 PHE R 130 THR R 136 1 O PHE R 134 N ILE R 108 SHEET 7 AA713 PHE R 153 THR R 159 1 O GLU R 157 N ILE R 133 SHEET 8 AA713 THR R 179 LYS R 183 1 O LYS R 183 N LEU R 156 SHEET 9 AA713 LYS R 201 TYR R 206 1 O LYS R 201 N LEU R 180 SHEET 10 AA713 LEU R 230 ASP R 232 1 O LEU R 230 N VAL R 205 SHEET 11 AA713 GLU R 251 ALA R 254 1 O GLU R 251 N LEU R 231 SHEET 12 AA713 ARG R 274 LEU R 277 1 O ASP R 276 N ALA R 254 SHEET 13 AA713 VAL R 397 THR R 399 1 O THR R 399 N LEU R 277 SHEET 1 AA8 3 THR R 66 ILE R 67 0 SHEET 2 AA8 3 GLN R 91 LEU R 92 1 O GLN R 91 N ILE R 67 SHEET 3 AA8 3 TYR R 116 ILE R 117 1 O TYR R 116 N LEU R 92 SHEET 1 AA9 2 PHE R 97 TYR R 98 0 SHEET 2 AA9 2 LEU R 122 LYS R 123 1 O LYS R 123 N PHE R 97 SHEET 1 AB1 3 SER R 166 ILE R 167 0 SHEET 2 AB1 3 SER R 191 VAL R 192 1 O SER R 191 N ILE R 167 SHEET 3 AB1 3 VAL R 215 ILE R 216 1 O VAL R 215 N VAL R 192 CISPEP 1 PRO R 27 PRO R 28 0 -0.13 CISPEP 2 GLY R 227 PRO R 228 0 -1.20 CISPEP 3 THR R 399 PRO R 400 0 -1.84 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 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