HEADER VIRAL PROTEIN/IMMUNE SYSTEM 12-JUL-23 8TGO TITLE CRYSTAL STRUCTURE OF THE BG505 TRIPLE TANDEM TRIMER GP140 HIV-1 ENV IN TITLE 2 COMPLEX WITH PGT124 AND 35O22 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP41; COMPND 3 CHAIN: B, H, a; COMPND 4 FRAGMENT: UNP RESIDUES 509-661; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 35O22 SCFV; COMPND 8 CHAIN: D, L, b; COMPND 9 ENGINEERED: YES; COMPND 10 MOL_ID: 3; COMPND 11 MOLECULE: PGT124 LIGHT CHAIN; COMPND 12 CHAIN: C, P, c; COMPND 13 ENGINEERED: YES; COMPND 14 MOL_ID: 4; COMPND 15 MOLECULE: ENVELOPE GLYCOPROTEIN GP120; COMPND 16 CHAIN: G, R, e; COMPND 17 FRAGMENT: UNP RESIDUES 30-504; COMPND 18 ENGINEERED: YES; COMPND 19 MOL_ID: 5; COMPND 20 MOLECULE: PGT124 HEAVY CHAIN; COMPND 21 CHAIN: O, S, f; COMPND 22 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: ENV; SOURCE 5 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 6 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 10 ORGANISM_COMMON: HUMAN; SOURCE 11 ORGANISM_TAXID: 9606; SOURCE 12 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 13 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 17 ORGANISM_COMMON: HUMAN; SOURCE 18 ORGANISM_TAXID: 9606; SOURCE 19 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 20 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 21 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 22 MOL_ID: 4; SOURCE 23 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 24 ORGANISM_TAXID: 11676; SOURCE 25 GENE: ENV; SOURCE 26 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 27 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 28 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 29 MOL_ID: 5; SOURCE 30 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 31 ORGANISM_COMMON: HUMAN; SOURCE 32 ORGANISM_TAXID: 9606; SOURCE 33 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 34 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 35 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS HIV, ENVELOPE, ANTIBODY, VIRAL PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR Y.XIAN,M.YUAN,I.A.WILSON JRNL AUTH I.DEL MORAL-SANCHEZ,E.G.WEE,Y.XIAN,W.H.LEE,J.D.ALLEN, JRNL AUTH 2 A.TORRENTS DE LA PENA,R.FROES ROCHA,J.FERGUSON,A.N.LEON, JRNL AUTH 3 S.KOEKKOEK,E.E.SCHERMER,J.A.BURGER,S.KUMAR,R.ZWOLSMAN, JRNL AUTH 4 M.BRINKKEMPER,A.AARTSE,D.EGGINK,J.HAN,M.YUAN,M.CRISPIN, JRNL AUTH 5 G.OZOROWSKI,A.B.WARD,I.A.WILSON,T.HANKE,K.SLIEPEN, JRNL AUTH 6 R.W.SANDERS JRNL TITL TRIPLE TANDEM TRIMER IMMUNOGENS FOR HIV-1 AND INFLUENZA JRNL TITL 2 NUCLEIC ACID-BASED VACCINES. JRNL REF NPJ VACCINES V. 9 74 2024 JRNL REFN ISSN 2059-0105 JRNL PMID 38582771 JRNL DOI 10.1038/S41541-024-00862-8 REMARK 2 REMARK 2 RESOLUTION. 5.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.19.2_4158: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 5.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.08 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 92.3 REMARK 3 NUMBER OF REFLECTIONS : 33412 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.244 REMARK 3 R VALUE (WORKING SET) : 0.242 REMARK 3 FREE R VALUE : 0.292 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.640 REMARK 3 FREE R VALUE TEST SET COUNT : 1551 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 41.0800 - 12.6700 0.92 2969 145 0.2675 0.2921 REMARK 3 2 12.6600 - 10.1000 0.94 2989 127 0.2006 0.2442 REMARK 3 3 10.1000 - 8.8400 0.99 3099 163 0.1869 0.2255 REMARK 3 4 8.8400 - 8.0400 0.99 3078 166 0.2263 0.3080 REMARK 3 5 8.0400 - 7.4700 0.99 3090 134 0.2324 0.3394 REMARK 3 6 7.4700 - 7.0300 0.99 3123 164 0.2564 0.3351 REMARK 3 7 7.0300 - 6.6800 0.99 3082 138 0.2776 0.3117 REMARK 3 8 6.6800 - 6.3900 0.99 3108 140 0.2817 0.3334 REMARK 3 9 6.3900 - 6.1400 0.99 3046 184 0.2894 0.3817 REMARK 3 10 6.1400 - 5.9300 0.93 2896 136 0.3100 0.3657 REMARK 3 11 5.9300 - 5.7500 0.44 1381 54 0.3006 0.3448 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.800 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 36.100 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.003 30312 REMARK 3 ANGLE : 0.587 41251 REMARK 3 CHIRALITY : 0.045 4988 REMARK 3 PLANARITY : 0.004 5059 REMARK 3 DIHEDRAL : 6.490 4742 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 8TGO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB. REMARK 100 THE DEPOSITION ID IS D_1000275900. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUN-21 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL12-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 16M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 33735 REMARK 200 RESOLUTION RANGE HIGH (A) : 5.750 REMARK 200 RESOLUTION RANGE LOW (A) : 60.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 6.800 REMARK 200 R MERGE (I) : 0.22100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 5.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 5.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 5.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.0 REMARK 200 DATA REDUNDANCY IN SHELL : 5.70 REMARK 200 R MERGE FOR SHELL (I) : 1.76300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 5CEZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 83.08 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 7.27 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M SODIUM ACETATE, 0.2 M ZINC REMARK 280 ACETATE, 11.5 % W/V PEG3000, PH 4.83, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 277.15K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 178.79600 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 106.02200 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 178.79600 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 106.02200 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTADECAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D, C, G, O, H, L, P, R, S, REMARK 350 AND CHAINS: a, b, c, e, f, A, F, I, J, REMARK 350 AND CHAINS: K, M, N, T, U, V, W, X, Y, Z, REMARK 350 AND CHAINS: g, h, i, j, k, l, m, n, o, REMARK 350 AND CHAINS: p, q, 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 ALA B 512 REMARK 465 VAL B 513 REMARK 465 GLY B 514 REMARK 465 ILE B 515 REMARK 465 GLY B 516 REMARK 465 ALA B 517 REMARK 465 VAL B 518 REMARK 465 GLN B 550 REMARK 465 GLN B 551 REMARK 465 GLN B 552 REMARK 465 SER B 553 REMARK 465 ASN B 554 REMARK 465 LEU B 555 REMARK 465 LEU B 556 REMARK 465 ARG B 557 REMARK 465 ALA B 558 REMARK 465 PRO B 559 REMARK 465 GLU B 560 REMARK 465 ALA B 561 REMARK 465 GLN B 562 REMARK 465 GLN B 563 REMARK 465 HIS B 564 REMARK 465 LEU B 565 REMARK 465 LEU B 566 REMARK 465 LYS B 567 REMARK 465 ASP B 568 REMARK 465 THR B 569 REMARK 465 HIS B 570 REMARK 465 TRP B 571 REMARK 465 ASP B 664 REMARK 465 GLY B 665 REMARK 465 SER B 666 REMARK 465 GLY B 667 REMARK 465 GLY B 668 REMARK 465 SER B 669 REMARK 465 GLY B 670 REMARK 465 GLY B 671 REMARK 465 SER B 672 REMARK 465 GLY B 673 REMARK 465 SER B 674 REMARK 465 GLY B 675 REMARK 465 VAL D 128A REMARK 465 SER D 128B REMARK 465 SER D 128C REMARK 465 ALA D 128D REMARK 465 SER D 128E REMARK 465 THR D 128F REMARK 465 GLY D 128G REMARK 465 GLY D 128H REMARK 465 GLY D 128I REMARK 465 GLY D 128J REMARK 465 SER D 128K REMARK 465 GLY D 128L REMARK 465 GLY D 128M REMARK 465 GLY D 128N REMARK 465 GLY D 128O REMARK 465 SER D 128P REMARK 465 GLY D 128Q REMARK 465 GLY D 128R REMARK 465 GLY D 128S REMARK 465 GLY D 128T REMARK 465 SER D 128U REMARK 465 GLY D 128V REMARK 465 GLY D 128W REMARK 465 GLY D 128X REMARK 465 GLY D 128Y REMARK 465 SER D 128Z REMARK 465 GLN D 129A REMARK 465 SER D 129B REMARK 465 GLY D 243 REMARK 465 GLN D 244 REMARK 465 SER D 245 REMARK 465 GLY D 246 REMARK 465 GLY D 247 REMARK 465 LEU D 248 REMARK 465 VAL D 249 REMARK 465 PRO D 250 REMARK 465 ARG D 251 REMARK 465 GLY D 252 REMARK 465 SER D 253 REMARK 465 HIS D 254 REMARK 465 HIS D 255 REMARK 465 HIS D 256 REMARK 465 HIS D 257 REMARK 465 HIS D 258 REMARK 465 HIS D 259 REMARK 465 HIS D 260 REMARK 465 HIS D 261 REMARK 465 SER D 262 REMARK 465 ARG D 263 REMARK 465 SER D 264 REMARK 465 SER C 6 REMARK 465 SER C 123 REMARK 465 GLU C 124 REMARK 465 GLU C 211 REMARK 465 CYS C 212 REMARK 465 SER C 213 REMARK 465 ALA G 31 REMARK 465 TYR G 61 REMARK 465 GLU G 62 REMARK 465 THR G 63 REMARK 465 LYS G 64 REMARK 465 GLU G 185A REMARK 465 ASN G 185B REMARK 465 GLN G 185C REMARK 465 GLY G 185D REMARK 465 ASN G 185E REMARK 465 ARG G 185F REMARK 465 SER G 185G REMARK 465 ASN G 185H REMARK 465 ASN G 185I REMARK 465 SER G 185J REMARK 465 THR G 400 REMARK 465 SER G 401 REMARK 465 VAL G 402 REMARK 465 GLN G 403 REMARK 465 GLY G 404 REMARK 465 SER G 405 REMARK 465 ASN G 406 REMARK 465 SER G 407 REMARK 465 THR G 408 REMARK 465 GLY G 409 REMARK 465 SER G 410 REMARK 465 ASN G 411 REMARK 465 GLY G 459 REMARK 465 SER G 460 REMARK 465 THR G 461 REMARK 465 ASN G 462 REMARK 465 SER G 463 REMARK 465 THR G 464 REMARK 465 VAL G 505 REMARK 465 VAL G 506 REMARK 465 GLY G 507 REMARK 465 GLY G 508 REMARK 465 GLY G 509 REMARK 465 SER G 510 REMARK 465 GLY G 511 REMARK 465 GLY G 512 REMARK 465 GLY G 513 REMARK 465 GLY G 514 REMARK 465 SER G 515 REMARK 465 GLY G 516 REMARK 465 GLY G 517 REMARK 465 GLY G 518 REMARK 465 GLY G 519 REMARK 465 SER G 520 REMARK 465 GLY G 521 REMARK 465 GLY G 522 REMARK 465 SER O 110 REMARK 465 SER O 111 REMARK 465 ALA O 112 REMARK 465 SER O 113 REMARK 465 THR O 114 REMARK 465 LYS O 115 REMARK 465 GLY O 116 REMARK 465 PRO O 117 REMARK 465 SER O 118 REMARK 465 VAL O 119 REMARK 465 PHE O 120 REMARK 465 PRO O 121 REMARK 465 LEU O 122 REMARK 465 ALA O 123 REMARK 465 PRO O 124 REMARK 465 SER O 125 REMARK 465 SER O 126 REMARK 465 LYS O 127 REMARK 465 SER O 128 REMARK 465 THR O 129 REMARK 465 SER O 130 REMARK 465 GLY O 131 REMARK 465 GLY O 132 REMARK 465 THR O 133 REMARK 465 ALA O 134 REMARK 465 ALA O 135 REMARK 465 LEU O 136 REMARK 465 GLY O 137 REMARK 465 CYS O 138 REMARK 465 LEU O 139 REMARK 465 VAL O 140 REMARK 465 LYS O 141 REMARK 465 ASP O 142 REMARK 465 TYR O 143 REMARK 465 PHE O 144 REMARK 465 PRO O 145 REMARK 465 GLU O 146 REMARK 465 PRO O 147 REMARK 465 VAL O 148 REMARK 465 THR O 149 REMARK 465 VAL O 150 REMARK 465 SER O 151 REMARK 465 TRP O 152 REMARK 465 ASN O 153 REMARK 465 SER O 154 REMARK 465 GLY O 155 REMARK 465 ALA O 156 REMARK 465 LEU O 157 REMARK 465 THR O 158 REMARK 465 SER O 159 REMARK 465 GLY O 160 REMARK 465 VAL O 161 REMARK 465 HIS O 162 REMARK 465 THR O 163 REMARK 465 PHE O 164 REMARK 465 PRO O 165 REMARK 465 ALA O 166 REMARK 465 VAL O 167 REMARK 465 LEU O 168 REMARK 465 GLN O 169 REMARK 465 SER O 170 REMARK 465 SER O 171 REMARK 465 GLY O 172 REMARK 465 LEU O 173 REMARK 465 TYR O 174 REMARK 465 SER O 175 REMARK 465 LEU O 176 REMARK 465 SER O 177 REMARK 465 SER O 178 REMARK 465 VAL O 179 REMARK 465 VAL O 180 REMARK 465 THR O 181 REMARK 465 VAL O 182 REMARK 465 PRO O 183 REMARK 465 SER O 184 REMARK 465 SER O 185 REMARK 465 SER O 186 REMARK 465 LEU O 187 REMARK 465 GLY O 188 REMARK 465 THR O 189 REMARK 465 GLN O 190 REMARK 465 THR O 191 REMARK 465 TYR O 192 REMARK 465 ILE O 193 REMARK 465 CYS O 194 REMARK 465 ASN O 195 REMARK 465 VAL O 196 REMARK 465 ASN O 197 REMARK 465 HIS O 198 REMARK 465 LYS O 199 REMARK 465 PRO O 200 REMARK 465 SER O 201 REMARK 465 ASN O 202 REMARK 465 THR O 203 REMARK 465 LYS O 204 REMARK 465 VAL O 205 REMARK 465 ASP O 206 REMARK 465 LYS O 207 REMARK 465 LYS O 208 REMARK 465 VAL O 209 REMARK 465 GLU O 210 REMARK 465 PRO O 211 REMARK 465 LYS O 212 REMARK 465 SER O 213 REMARK 465 CYS O 214 REMARK 465 ALA H 512 REMARK 465 VAL H 513 REMARK 465 GLY H 514 REMARK 465 ILE H 515 REMARK 465 GLY H 516 REMARK 465 ALA H 517 REMARK 465 VAL H 518 REMARK 465 GLN H 550 REMARK 465 GLN H 551 REMARK 465 GLN H 552 REMARK 465 SER H 553 REMARK 465 ASN H 554 REMARK 465 LEU H 555 REMARK 465 LEU H 556 REMARK 465 ARG H 557 REMARK 465 ALA H 558 REMARK 465 PRO H 559 REMARK 465 GLU H 560 REMARK 465 ALA H 561 REMARK 465 GLN H 562 REMARK 465 GLN H 563 REMARK 465 HIS H 564 REMARK 465 LEU H 565 REMARK 465 LEU H 566 REMARK 465 LYS H 567 REMARK 465 ASP H 568 REMARK 465 THR H 569 REMARK 465 HIS H 570 REMARK 465 TRP H 571 REMARK 465 GLY H 572 REMARK 465 ASP H 664 REMARK 465 GLY H 665 REMARK 465 SER H 666 REMARK 465 GLY H 667 REMARK 465 GLY H 668 REMARK 465 SER H 669 REMARK 465 GLY H 670 REMARK 465 GLY H 671 REMARK 465 SER H 672 REMARK 465 GLY H 673 REMARK 465 SER H 674 REMARK 465 GLY H 675 REMARK 465 VAL L 128A REMARK 465 SER L 128B REMARK 465 SER L 128C REMARK 465 ALA L 128D REMARK 465 SER L 128E REMARK 465 THR L 128F REMARK 465 GLY L 128G REMARK 465 GLY L 128H REMARK 465 GLY L 128I REMARK 465 GLY L 128J REMARK 465 SER L 128K REMARK 465 GLY L 128L REMARK 465 GLY L 128M REMARK 465 GLY L 128N REMARK 465 GLY L 128O REMARK 465 SER L 128P REMARK 465 GLY L 128Q REMARK 465 GLY L 128R REMARK 465 GLY L 128S REMARK 465 GLY L 128T REMARK 465 SER L 128U REMARK 465 GLY L 128V REMARK 465 GLY L 128W REMARK 465 GLY L 128X REMARK 465 GLY L 128Y REMARK 465 SER L 128Z REMARK 465 GLN L 129A REMARK 465 SER L 129B REMARK 465 GLY L 243 REMARK 465 GLN L 244 REMARK 465 SER L 245 REMARK 465 GLY L 246 REMARK 465 GLY L 247 REMARK 465 LEU L 248 REMARK 465 VAL L 249 REMARK 465 PRO L 250 REMARK 465 ARG L 251 REMARK 465 GLY L 252 REMARK 465 SER L 253 REMARK 465 HIS L 254 REMARK 465 HIS L 255 REMARK 465 HIS L 256 REMARK 465 HIS L 257 REMARK 465 HIS L 258 REMARK 465 HIS L 259 REMARK 465 HIS L 260 REMARK 465 HIS L 261 REMARK 465 SER L 262 REMARK 465 ARG L 263 REMARK 465 SER L 264 REMARK 465 SER P 6 REMARK 465 GLU P 211 REMARK 465 CYS P 212 REMARK 465 SER P 213 REMARK 465 ALA R 31 REMARK 465 TYR R 61 REMARK 465 GLU R 62 REMARK 465 THR R 63 REMARK 465 LYS R 64 REMARK 465 GLU R 185A REMARK 465 ASN R 185B REMARK 465 GLN R 185C REMARK 465 GLY R 185D REMARK 465 ASN R 185E REMARK 465 ARG R 185F REMARK 465 SER R 185G REMARK 465 ASN R 185H REMARK 465 ASN R 185I REMARK 465 SER R 185J REMARK 465 THR R 400 REMARK 465 SER R 401 REMARK 465 VAL R 402 REMARK 465 GLN R 403 REMARK 465 GLY R 404 REMARK 465 SER R 405 REMARK 465 ASN R 406 REMARK 465 SER R 407 REMARK 465 THR R 408 REMARK 465 GLY R 409 REMARK 465 SER R 410 REMARK 465 ASN R 411 REMARK 465 GLY R 459 REMARK 465 SER R 460 REMARK 465 THR R 461 REMARK 465 ASN R 462 REMARK 465 SER R 463 REMARK 465 THR R 464 REMARK 465 VAL R 505 REMARK 465 VAL R 506 REMARK 465 GLY R 507 REMARK 465 GLY R 508 REMARK 465 GLY R 509 REMARK 465 SER R 510 REMARK 465 GLY R 511 REMARK 465 GLY R 512 REMARK 465 GLY R 513 REMARK 465 GLY R 514 REMARK 465 SER R 515 REMARK 465 GLY R 516 REMARK 465 GLY R 517 REMARK 465 GLY R 518 REMARK 465 GLY R 519 REMARK 465 SER R 520 REMARK 465 GLY R 521 REMARK 465 GLY R 522 REMARK 465 LYS S 127 REMARK 465 GLY S 188 REMARK 465 LYS S 212 REMARK 465 SER S 213 REMARK 465 CYS S 214 REMARK 465 ALA a 512 REMARK 465 VAL a 513 REMARK 465 GLY a 514 REMARK 465 ILE a 515 REMARK 465 GLY a 516 REMARK 465 ALA a 517 REMARK 465 VAL a 518 REMARK 465 GLN a 550 REMARK 465 GLN a 551 REMARK 465 GLN a 552 REMARK 465 SER a 553 REMARK 465 ASN a 554 REMARK 465 LEU a 555 REMARK 465 LEU a 556 REMARK 465 ARG a 557 REMARK 465 ALA a 558 REMARK 465 PRO a 559 REMARK 465 GLU a 560 REMARK 465 ALA a 561 REMARK 465 GLN a 562 REMARK 465 GLN a 563 REMARK 465 HIS a 564 REMARK 465 LEU a 565 REMARK 465 LEU a 566 REMARK 465 LYS a 567 REMARK 465 ASP a 568 REMARK 465 THR a 569 REMARK 465 HIS a 570 REMARK 465 TRP a 571 REMARK 465 ASP a 664 REMARK 465 GLY a 665 REMARK 465 SER a 666 REMARK 465 GLY a 667 REMARK 465 GLY a 668 REMARK 465 SER a 669 REMARK 465 GLY a 670 REMARK 465 GLY a 671 REMARK 465 SER a 672 REMARK 465 GLY a 673 REMARK 465 SER a 674 REMARK 465 GLY a 675 REMARK 465 VAL b 128A REMARK 465 SER b 128B REMARK 465 SER b 128C REMARK 465 ALA b 128D REMARK 465 SER b 128E REMARK 465 THR b 128F REMARK 465 GLY b 128G REMARK 465 GLY b 128H REMARK 465 GLY b 128I REMARK 465 GLY b 128J REMARK 465 SER b 128K REMARK 465 GLY b 128L REMARK 465 GLY b 128M REMARK 465 GLY b 128N REMARK 465 GLY b 128O REMARK 465 SER b 128P REMARK 465 GLY b 128Q REMARK 465 GLY b 128R REMARK 465 GLY b 128S REMARK 465 GLY b 128T REMARK 465 SER b 128U REMARK 465 GLY b 128V REMARK 465 GLY b 128W REMARK 465 GLY b 128X REMARK 465 GLY b 128Y REMARK 465 SER b 128Z REMARK 465 GLN b 129A REMARK 465 SER b 129B REMARK 465 GLY b 243 REMARK 465 GLN b 244 REMARK 465 SER b 245 REMARK 465 GLY b 246 REMARK 465 GLY b 247 REMARK 465 LEU b 248 REMARK 465 VAL b 249 REMARK 465 PRO b 250 REMARK 465 ARG b 251 REMARK 465 GLY b 252 REMARK 465 SER b 253 REMARK 465 HIS b 254 REMARK 465 HIS b 255 REMARK 465 HIS b 256 REMARK 465 HIS b 257 REMARK 465 HIS b 258 REMARK 465 HIS b 259 REMARK 465 HIS b 260 REMARK 465 HIS b 261 REMARK 465 SER b 262 REMARK 465 ARG b 263 REMARK 465 SER b 264 REMARK 465 SER c 6 REMARK 465 GLU c 211 REMARK 465 CYS c 212 REMARK 465 SER c 213 REMARK 465 ALA e 31 REMARK 465 TYR e 61 REMARK 465 GLU e 62 REMARK 465 THR e 63 REMARK 465 LYS e 64 REMARK 465 GLU e 185A REMARK 465 ASN e 185B REMARK 465 GLN e 185C REMARK 465 GLY e 185D REMARK 465 ASN e 185E REMARK 465 ARG e 185F REMARK 465 SER e 185G REMARK 465 ASN e 185H REMARK 465 ASN e 185I REMARK 465 SER e 185J REMARK 465 THR e 400 REMARK 465 SER e 401 REMARK 465 VAL e 402 REMARK 465 GLN e 403 REMARK 465 GLY e 404 REMARK 465 SER e 405 REMARK 465 ASN e 406 REMARK 465 SER e 407 REMARK 465 THR e 408 REMARK 465 GLY e 409 REMARK 465 SER e 410 REMARK 465 ASN e 411 REMARK 465 GLY e 459 REMARK 465 SER e 460 REMARK 465 THR e 461 REMARK 465 ASN e 462 REMARK 465 SER e 463 REMARK 465 THR e 464 REMARK 465 VAL e 505 REMARK 465 VAL e 506 REMARK 465 GLY e 507 REMARK 465 GLY e 508 REMARK 465 GLY e 509 REMARK 465 SER e 510 REMARK 465 GLY e 511 REMARK 465 GLY e 512 REMARK 465 GLY e 513 REMARK 465 GLY e 514 REMARK 465 SER e 515 REMARK 465 GLY e 516 REMARK 465 GLY e 517 REMARK 465 GLY e 518 REMARK 465 GLY e 519 REMARK 465 SER e 520 REMARK 465 GLY e 521 REMARK 465 GLY e 522 REMARK 465 LYS f 127 REMARK 465 GLY f 188 REMARK 465 LYS f 212 REMARK 465 SER f 213 REMARK 465 CYS f 214 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O PRO b 118 OH TYR b 170 2.14 REMARK 500 OG SER c 30 O6 MAN q 4 2.14 REMARK 500 NH1 ARG c 94 O GLY e 324 2.17 REMARK 500 O PRO D 118 OH TYR D 170 2.18 REMARK 500 OG SER C 63 OG1 THR C 74 2.18 REMARK 500 O PRO L 118 OH TYR L 170 2.19 REMARK 500 O ASN b 30 O6 NAG k 1 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA B 525 51.42 -92.53 REMARK 500 VAL D 160 60.47 -150.02 REMARK 500 CYS D 162 172.22 79.45 REMARK 500 HIS D 164 -37.20 -36.44 REMARK 500 GLU D 184 54.10 36.31 REMARK 500 ASP D 185 -19.00 73.71 REMARK 500 ASN D 186 -25.44 -144.36 REMARK 500 VAL D 241 127.68 85.74 REMARK 500 ASN C 51 -39.44 -38.81 REMARK 500 ASP C 152 -85.81 58.61 REMARK 500 GLU C 199 -120.46 57.53 REMARK 500 ASN G 80 101.08 -162.59 REMARK 500 PRO G 81 91.83 -67.98 REMARK 500 THR G 135 13.78 57.24 REMARK 500 ILE G 138 -67.35 -106.26 REMARK 500 ASP G 141 -64.34 -102.70 REMARK 500 MET G 150 46.79 -96.84 REMARK 500 ILE G 184 -52.52 -122.79 REMARK 500 GLN G 258 -16.37 71.04 REMARK 500 GLU G 269 -153.80 53.01 REMARK 500 ASN G 392 43.24 -141.08 REMARK 500 THR O 83 -168.61 -126.81 REMARK 500 ALA H 525 51.79 -93.33 REMARK 500 ILE H 622 -57.46 -121.33 REMARK 500 LEU L 127 -169.99 -101.42 REMARK 500 VAL L 160 52.05 -164.39 REMARK 500 CYS L 161 -66.17 -100.97 REMARK 500 CYS L 162 -148.14 -177.06 REMARK 500 SER L 163 -95.93 44.75 REMARK 500 ARG L 176 -169.42 -129.35 REMARK 500 GLU L 184 53.68 36.35 REMARK 500 ASP L 185 -18.88 73.51 REMARK 500 ASN L 186 -26.13 -144.17 REMARK 500 VAL L 241 -6.34 90.03 REMARK 500 ARG P 25 59.45 39.50 REMARK 500 ASN P 51 -39.62 -37.27 REMARK 500 ASP P 152 -88.38 57.57 REMARK 500 GLU P 199 -119.84 58.11 REMARK 500 ASN R 80 84.48 47.07 REMARK 500 ILE R 138 67.54 28.99 REMARK 500 ASP R 141 -165.82 -101.65 REMARK 500 ILE R 184 -51.32 -121.64 REMARK 500 GLN R 258 -16.33 70.85 REMARK 500 GLU R 269 -153.97 53.42 REMARK 500 ASN R 392 43.34 -141.32 REMARK 500 GLU S 55 64.12 60.54 REMARK 500 THR S 83 -169.44 -127.14 REMARK 500 GLN S 190 21.34 -164.48 REMARK 500 THR S 191 63.35 29.72 REMARK 500 ALA a 525 52.24 -92.50 REMARK 500 REMARK 500 THIS ENTRY HAS 68 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 NAG m 1 DBREF 8TGO B 512 664 UNP Q2N0S6 Q2N0S6_9HIV1 509 661 DBREF 8TGO D 1 264 PDB 8TGO 8TGO 1 264 DBREF 8TGO C 6 213 PDB 8TGO 8TGO 6 213 DBREF 8TGO G 31 507 UNP Q2N0S6 Q2N0S6_9HIV1 30 504 DBREF 8TGO O 1 214 PDB 8TGO 8TGO 1 214 DBREF 8TGO H 512 664 UNP Q2N0S6 Q2N0S6_9HIV1 509 661 DBREF 8TGO L 1 264 PDB 8TGO 8TGO 1 264 DBREF 8TGO P 6 213 PDB 8TGO 8TGO 6 213 DBREF 8TGO R 31 507 UNP Q2N0S6 Q2N0S6_9HIV1 30 504 DBREF 8TGO S 1 214 PDB 8TGO 8TGO 1 214 DBREF 8TGO a 512 664 UNP Q2N0S6 Q2N0S6_9HIV1 509 661 DBREF 8TGO b 1 264 PDB 8TGO 8TGO 1 264 DBREF 8TGO c 6 213 PDB 8TGO 8TGO 6 213 DBREF 8TGO e 31 507 UNP Q2N0S6 Q2N0S6_9HIV1 30 504 DBREF 8TGO f 1 214 PDB 8TGO 8TGO 1 214 SEQADV 8TGO SER B 519 UNP Q2N0S6 PHE 516 CONFLICT SEQADV 8TGO PRO B 559 UNP Q2N0S6 ILE 556 CONFLICT SEQADV 8TGO ASP B 568 UNP Q2N0S6 LEU 565 CONFLICT SEQADV 8TGO HIS B 570 UNP Q2N0S6 VAL 567 CONFLICT SEQADV 8TGO HIS B 585 UNP Q2N0S6 ARG 582 CONFLICT SEQADV 8TGO CYS B 605 UNP Q2N0S6 THR 602 CONFLICT SEQADV 8TGO GLY B 665 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER B 666 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 667 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 668 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER B 669 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 670 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 671 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER B 672 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 673 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER B 674 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY B 675 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO LYS G 64 UNP Q2N0S6 GLU 63 CONFLICT SEQADV 8TGO GLU G 106 UNP Q2N0S6 THR 105 CONFLICT SEQADV 8TGO ILE G 271 UNP Q2N0S6 MET 270 CONFLICT SEQADV 8TGO LEU G 288 UNP Q2N0S6 PHE 287 CONFLICT SEQADV 8TGO VAL G 304 UNP Q2N0S6 ARG 303 CONFLICT SEQADV 8TGO TRP G 316 UNP Q2N0S6 ALA 313 CONFLICT SEQADV 8TGO TYR G 319 UNP Q2N0S6 ALA 316 CONFLICT SEQADV 8TGO ASN G 332 UNP Q2N0S6 THR 330 CONFLICT SEQADV 8TGO LYS G 500 UNP Q2N0S6 ARG 497 CONFLICT SEQADV 8TGO CYS G 501 UNP Q2N0S6 ALA 498 CONFLICT SEQADV 8TGO GLY G 508 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 509 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER G 510 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 511 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 512 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 513 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 514 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER G 515 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 516 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 517 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 518 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 519 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER G 520 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 521 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY G 522 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER H 519 UNP Q2N0S6 PHE 516 CONFLICT SEQADV 8TGO PRO H 559 UNP Q2N0S6 ILE 556 CONFLICT SEQADV 8TGO ASP H 568 UNP Q2N0S6 LEU 565 CONFLICT SEQADV 8TGO HIS H 570 UNP Q2N0S6 VAL 567 CONFLICT SEQADV 8TGO HIS H 585 UNP Q2N0S6 ARG 582 CONFLICT SEQADV 8TGO CYS H 605 UNP Q2N0S6 THR 602 CONFLICT SEQADV 8TGO GLY H 665 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER H 666 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 667 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 668 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER H 669 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 670 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 671 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER H 672 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 673 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER H 674 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY H 675 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO LYS R 64 UNP Q2N0S6 GLU 63 CONFLICT SEQADV 8TGO GLU R 106 UNP Q2N0S6 THR 105 CONFLICT SEQADV 8TGO ILE R 271 UNP Q2N0S6 MET 270 CONFLICT SEQADV 8TGO LEU R 288 UNP Q2N0S6 PHE 287 CONFLICT SEQADV 8TGO VAL R 304 UNP Q2N0S6 ARG 303 CONFLICT SEQADV 8TGO TRP R 316 UNP Q2N0S6 ALA 313 CONFLICT SEQADV 8TGO TYR R 319 UNP Q2N0S6 ALA 316 CONFLICT SEQADV 8TGO ASN R 332 UNP Q2N0S6 THR 330 CONFLICT SEQADV 8TGO LYS R 500 UNP Q2N0S6 ARG 497 CONFLICT SEQADV 8TGO CYS R 501 UNP Q2N0S6 ALA 498 CONFLICT SEQADV 8TGO GLY R 508 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 509 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER R 510 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 511 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 512 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 513 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 514 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER R 515 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 516 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 517 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 518 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 519 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER R 520 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 521 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY R 522 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER a 519 UNP Q2N0S6 PHE 516 CONFLICT SEQADV 8TGO PRO a 559 UNP Q2N0S6 ILE 556 CONFLICT SEQADV 8TGO ASP a 568 UNP Q2N0S6 LEU 565 CONFLICT SEQADV 8TGO HIS a 570 UNP Q2N0S6 VAL 567 CONFLICT SEQADV 8TGO HIS a 585 UNP Q2N0S6 ARG 582 CONFLICT SEQADV 8TGO CYS a 605 UNP Q2N0S6 THR 602 CONFLICT SEQADV 8TGO GLY a 665 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER a 666 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 667 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 668 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER a 669 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 670 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 671 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER a 672 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 673 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER a 674 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY a 675 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO LYS e 64 UNP Q2N0S6 GLU 63 CONFLICT SEQADV 8TGO GLU e 106 UNP Q2N0S6 THR 105 CONFLICT SEQADV 8TGO ILE e 271 UNP Q2N0S6 MET 270 CONFLICT SEQADV 8TGO LEU e 288 UNP Q2N0S6 PHE 287 CONFLICT SEQADV 8TGO VAL e 304 UNP Q2N0S6 ARG 303 CONFLICT SEQADV 8TGO TRP e 316 UNP Q2N0S6 ALA 313 CONFLICT SEQADV 8TGO TYR e 319 UNP Q2N0S6 ALA 316 CONFLICT SEQADV 8TGO ASN e 332 UNP Q2N0S6 THR 330 CONFLICT SEQADV 8TGO LYS e 500 UNP Q2N0S6 ARG 497 CONFLICT SEQADV 8TGO CYS e 501 UNP Q2N0S6 ALA 498 CONFLICT SEQADV 8TGO GLY e 508 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 509 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER e 510 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 511 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 512 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 513 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 514 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER e 515 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 516 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 517 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 518 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 519 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO SER e 520 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 521 UNP Q2N0S6 EXPRESSION TAG SEQADV 8TGO GLY e 522 UNP Q2N0S6 EXPRESSION TAG SEQRES 1 B 164 ALA VAL GLY ILE GLY ALA VAL SER LEU GLY PHE LEU GLY SEQRES 2 B 164 ALA ALA GLY SER THR MET GLY ALA ALA SER MET THR LEU SEQRES 3 B 164 THR VAL GLN ALA ARG ASN LEU LEU SER GLY ILE VAL GLN SEQRES 4 B 164 GLN GLN SER ASN LEU LEU ARG ALA PRO GLU ALA GLN GLN SEQRES 5 B 164 HIS LEU LEU LYS ASP THR HIS TRP GLY ILE LYS GLN LEU SEQRES 6 B 164 GLN ALA ARG VAL LEU ALA VAL GLU HIS TYR LEU ARG ASP SEQRES 7 B 164 GLN GLN LEU LEU GLY ILE TRP GLY CYS SER GLY LYS LEU SEQRES 8 B 164 ILE CYS CYS THR ASN VAL PRO TRP ASN SER SER TRP SER SEQRES 9 B 164 ASN ARG ASN LEU SER GLU ILE TRP ASP ASN MET THR TRP SEQRES 10 B 164 LEU GLN TRP ASP LYS GLU ILE SER ASN TYR THR GLN ILE SEQRES 11 B 164 ILE TYR GLY LEU LEU GLU GLU SER GLN ASN GLN GLN GLU SEQRES 12 B 164 LYS ASN GLU GLN ASP LEU LEU ALA LEU ASP GLY SER GLY SEQRES 13 B 164 GLY SER GLY GLY SER GLY SER GLY SEQRES 1 D 286 GLN GLY GLN LEU VAL GLN SER GLY ALA THR THR THR LYS SEQRES 2 D 286 PRO GLY SER SER VAL LYS ILE SER CYS LYS THR SER GLY SEQRES 3 D 286 TYR ARG PHE ASN PHE TYR HIS ILE ASN TRP ILE ARG GLN SEQRES 4 D 286 THR ALA GLY ARG GLY PRO GLU TRP MET GLY TRP ILE SER SEQRES 5 D 286 PRO TYR SER GLY ASP LYS ASN LEU ALA PRO ALA PHE GLN SEQRES 6 D 286 ASP ARG VAL ASN MET THR THR ASP THR GLU VAL PRO VAL SEQRES 7 D 286 THR SER PHE THR SER THR GLY ALA ALA TYR MET GLU ILE SEQRES 8 D 286 ARG ASN LEU THR SER ASP ASP THR GLY THR TYR PHE CYS SEQRES 9 D 286 ALA LYS GLY LEU LEU ARG ASP GLY SER SER THR TRP LEU SEQRES 10 D 286 PRO TYR LEU TRP GLY GLN GLY THR LEU LEU THR VAL SER SEQRES 11 D 286 SER ALA SER THR GLY GLY GLY GLY SER GLY GLY GLY GLY SEQRES 12 D 286 SER GLY GLY GLY GLY SER GLY GLY GLY GLY SER GLN SER SEQRES 13 D 286 VAL LEU THR GLN SER ALA SER VAL SER GLY SER LEU GLY SEQRES 14 D 286 GLN SER VAL THR ILE SER CYS THR GLY PRO ASN SER VAL SEQRES 15 D 286 CYS CYS SER HIS LYS SER ILE SER TRP TYR GLN TRP PRO SEQRES 16 D 286 PRO GLY ARG ALA PRO THR LEU ILE ILE TYR GLU ASP ASN SEQRES 17 D 286 GLU ARG ALA PRO GLY ILE SER PRO ARG PHE SER GLY TYR SEQRES 18 D 286 LYS SER TYR TRP SER ALA TYR LEU THR ILE SER ASP LEU SEQRES 19 D 286 ARG PRO GLU ASP GLU THR THR TYR TYR CYS CYS SER TYR SEQRES 20 D 286 THR HIS ASN SER GLY CYS VAL PHE GLY THR GLY THR LYS SEQRES 21 D 286 VAL SER VAL LEU GLY GLN SER GLY GLY LEU VAL PRO ARG SEQRES 22 D 286 GLY SER HIS HIS HIS HIS HIS HIS HIS HIS SER ARG SER SEQRES 1 C 214 SER TYR VAL SER PRO LEU SER VAL ALA LEU GLY GLU THR SEQRES 2 C 214 ALA ARG ILE SER CYS GLY ARG GLN ALA LEU GLY SER ARG SEQRES 3 C 214 ALA VAL GLN TRP TYR GLN HIS LYS PRO GLY GLN ALA PRO SEQRES 4 C 214 ILE LEU LEU ILE TYR ASN ASN GLN ASP ARG PRO SER GLY SEQRES 5 C 214 ILE PRO GLU ARG PHE SER GLY THR PRO ASP ILE ASN PHE SEQRES 6 C 214 GLY THR THR ALA THR LEU THR ILE SER GLY VAL GLU VAL SEQRES 7 C 214 GLY ASP GLU ALA ASP TYR TYR CYS HIS MET TRP ASP SER SEQRES 8 C 214 ARG SER GLY PHE SER TRP SER PHE GLY GLY ALA THR ARG SEQRES 9 C 214 LEU THR VAL LEU SER GLN PRO LYS ALA ALA PRO SER VAL SEQRES 10 C 214 THR LEU PHE PRO PRO SER SER GLU GLU LEU GLN ALA ASN SEQRES 11 C 214 LYS ALA THR LEU VAL CYS LEU ILE SER ASP PHE TYR PRO SEQRES 12 C 214 GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SER SER PRO SEQRES 13 C 214 VAL LYS ALA GLY VAL GLU THR THR THR PRO SER LYS GLN SEQRES 14 C 214 SER ASN ASN LYS TYR ALA ALA SER SER TYR LEU SER LEU SEQRES 15 C 214 THR PRO GLU GLN TRP LYS SER HIS LYS SER TYR SER CYS SEQRES 16 C 214 GLN VAL THR HIS GLU GLY SER THR VAL GLU LYS THR VAL SEQRES 17 C 214 ALA PRO THR GLU CYS SER SEQRES 1 G 490 ALA GLU ASN LEU TRP VAL THR VAL TYR TYR GLY VAL PRO SEQRES 2 G 490 VAL TRP LYS ASP ALA GLU THR THR LEU PHE CYS ALA SER SEQRES 3 G 490 ASP ALA LYS ALA TYR GLU THR LYS LYS HIS ASN VAL TRP SEQRES 4 G 490 ALA THR HIS ALA CYS VAL PRO THR ASP PRO ASN PRO GLN SEQRES 5 G 490 GLU ILE HIS LEU GLU ASN VAL THR GLU GLU PHE ASN MET SEQRES 6 G 490 TRP LYS ASN ASN MET VAL GLU GLN MET HIS GLU ASP ILE SEQRES 7 G 490 ILE SER LEU TRP ASP GLN SER LEU LYS PRO CYS VAL LYS SEQRES 8 G 490 LEU THR PRO LEU CYS VAL THR LEU GLN CYS THR ASN VAL SEQRES 9 G 490 THR ASN ASN ILE THR ASP ASP MET ARG GLY GLU LEU LYS SEQRES 10 G 490 ASN CYS SER PHE ASN MET THR THR GLU LEU ARG ASP LYS SEQRES 11 G 490 LYS GLN LYS VAL TYR SER LEU PHE TYR ARG LEU ASP VAL SEQRES 12 G 490 VAL GLN ILE ASN GLU ASN GLN GLY ASN ARG SER ASN ASN SEQRES 13 G 490 SER ASN LYS GLU TYR ARG LEU ILE ASN CYS ASN THR SER SEQRES 14 G 490 ALA ILE THR GLN ALA CYS PRO LYS VAL SER PHE GLU PRO SEQRES 15 G 490 ILE PRO ILE HIS TYR CYS ALA PRO ALA GLY PHE ALA ILE SEQRES 16 G 490 LEU LYS CYS LYS ASP LYS LYS PHE ASN GLY THR GLY PRO SEQRES 17 G 490 CYS PRO SER VAL SER THR VAL GLN CYS THR HIS GLY ILE SEQRES 18 G 490 LYS PRO VAL VAL SER THR GLN LEU LEU LEU ASN GLY SER SEQRES 19 G 490 LEU ALA GLU GLU GLU VAL ILE ILE ARG SER GLU ASN ILE SEQRES 20 G 490 THR ASN ASN ALA LYS ASN ILE LEU VAL GLN LEU ASN THR SEQRES 21 G 490 PRO VAL GLN ILE ASN CYS THR ARG PRO ASN ASN ASN THR SEQRES 22 G 490 VAL LYS SER ILE ARG ILE GLY PRO GLY GLN TRP PHE TYR SEQRES 23 G 490 TYR THR GLY ASP ILE ILE GLY ASP ILE ARG GLN ALA HIS SEQRES 24 G 490 CYS ASN VAL SER LYS ALA THR TRP ASN GLU THR LEU GLY SEQRES 25 G 490 LYS VAL VAL LYS GLN LEU ARG LYS HIS PHE GLY ASN ASN SEQRES 26 G 490 THR ILE ILE ARG PHE ALA ASN SER SER GLY GLY ASP LEU SEQRES 27 G 490 GLU VAL THR THR HIS SER PHE ASN CYS GLY GLY GLU PHE SEQRES 28 G 490 PHE TYR CYS ASN THR SER GLY LEU PHE ASN SER THR TRP SEQRES 29 G 490 ILE SER ASN THR SER VAL GLN GLY SER ASN SER THR GLY SEQRES 30 G 490 SER ASN ASP SER ILE THR LEU PRO CYS ARG ILE LYS GLN SEQRES 31 G 490 ILE ILE ASN MET TRP GLN ARG ILE GLY GLN ALA MET TYR SEQRES 32 G 490 ALA PRO PRO ILE GLN GLY VAL ILE ARG CYS VAL SER ASN SEQRES 33 G 490 ILE THR GLY LEU ILE LEU THR ARG ASP GLY GLY SER THR SEQRES 34 G 490 ASN SER THR THR GLU THR PHE ARG PRO GLY GLY GLY ASP SEQRES 35 G 490 MET ARG ASP ASN TRP ARG SER GLU LEU TYR LYS TYR LYS SEQRES 36 G 490 VAL VAL LYS ILE GLU PRO LEU GLY VAL ALA PRO THR LYS SEQRES 37 G 490 CYS LYS ARG ARG VAL VAL GLY GLY GLY SER GLY GLY GLY SEQRES 38 G 490 GLY SER GLY GLY GLY GLY SER GLY GLY SEQRES 1 O 235 GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ARG SEQRES 2 O 235 PRO SER GLU THR LEU SER VAL THR CYS ILE VAL SER GLY SEQRES 3 O 235 GLY SER ILE SER ASN TYR TYR TRP THR TRP ILE ARG GLN SEQRES 4 O 235 SER PRO GLY LYS GLY LEU GLU TRP ILE GLY TYR ILE SER SEQRES 5 O 235 ASP ARG GLU THR THR THR TYR ASN PRO SER LEU ASN SER SEQRES 6 O 235 ARG ALA VAL ILE SER ARG ASP THR SER LYS ASN GLN LEU SEQRES 7 O 235 SER LEU GLN LEU ARG SER VAL THR THR ALA ASP THR ALA SEQRES 8 O 235 ILE TYR PHE CYS ALA THR ALA ARG ARG GLY GLN ARG ILE SEQRES 9 O 235 TYR GLY VAL VAL SER PHE GLY GLU PHE PHE TYR TYR TYR SEQRES 10 O 235 TYR MET ASP VAL TRP GLY LYS GLY THR ALA VAL THR VAL SEQRES 11 O 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 O 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 O 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 O 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 O 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 O 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 O 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 O 235 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER SEQRES 19 O 235 CYS SEQRES 1 H 164 ALA VAL GLY ILE GLY ALA VAL SER LEU GLY PHE LEU GLY SEQRES 2 H 164 ALA ALA GLY SER THR MET GLY ALA ALA SER MET THR LEU SEQRES 3 H 164 THR VAL GLN ALA ARG ASN LEU LEU SER GLY ILE VAL GLN SEQRES 4 H 164 GLN GLN SER ASN LEU LEU ARG ALA PRO GLU ALA GLN GLN SEQRES 5 H 164 HIS LEU LEU LYS ASP THR HIS TRP GLY ILE LYS GLN LEU SEQRES 6 H 164 GLN ALA ARG VAL LEU ALA VAL GLU HIS TYR LEU ARG ASP SEQRES 7 H 164 GLN GLN LEU LEU GLY ILE TRP GLY CYS SER GLY LYS LEU SEQRES 8 H 164 ILE CYS CYS THR ASN VAL PRO TRP ASN SER SER TRP SER SEQRES 9 H 164 ASN ARG ASN LEU SER GLU ILE TRP ASP ASN MET THR TRP SEQRES 10 H 164 LEU GLN TRP ASP LYS GLU ILE SER ASN TYR THR GLN ILE SEQRES 11 H 164 ILE TYR GLY LEU LEU GLU GLU SER GLN ASN GLN GLN GLU SEQRES 12 H 164 LYS ASN GLU GLN ASP LEU LEU ALA LEU ASP GLY SER GLY SEQRES 13 H 164 GLY SER GLY GLY SER GLY SER GLY SEQRES 1 L 286 GLN GLY GLN LEU VAL GLN SER GLY ALA THR THR THR LYS SEQRES 2 L 286 PRO GLY SER SER VAL LYS ILE SER CYS LYS THR SER GLY SEQRES 3 L 286 TYR ARG PHE ASN PHE TYR HIS ILE ASN TRP ILE ARG GLN SEQRES 4 L 286 THR ALA GLY ARG GLY PRO GLU TRP MET GLY TRP ILE SER SEQRES 5 L 286 PRO TYR SER GLY ASP LYS ASN LEU ALA PRO ALA PHE GLN SEQRES 6 L 286 ASP ARG VAL ASN MET THR THR ASP THR GLU VAL PRO VAL SEQRES 7 L 286 THR SER PHE THR SER THR GLY ALA ALA TYR MET GLU ILE SEQRES 8 L 286 ARG ASN LEU THR SER ASP ASP THR GLY THR TYR PHE CYS SEQRES 9 L 286 ALA LYS GLY LEU LEU ARG ASP GLY SER SER THR TRP LEU SEQRES 10 L 286 PRO TYR LEU TRP GLY GLN GLY THR LEU LEU THR VAL SER SEQRES 11 L 286 SER ALA SER THR GLY GLY GLY GLY SER GLY GLY GLY GLY SEQRES 12 L 286 SER GLY GLY GLY GLY SER GLY GLY GLY GLY SER GLN SER SEQRES 13 L 286 VAL LEU THR GLN SER ALA SER VAL SER GLY SER LEU GLY SEQRES 14 L 286 GLN SER VAL THR ILE SER CYS THR GLY PRO ASN SER VAL SEQRES 15 L 286 CYS CYS SER HIS LYS SER ILE SER TRP TYR GLN TRP PRO SEQRES 16 L 286 PRO GLY ARG ALA PRO THR LEU ILE ILE TYR GLU ASP ASN SEQRES 17 L 286 GLU ARG ALA PRO GLY ILE SER PRO ARG PHE SER GLY TYR SEQRES 18 L 286 LYS SER TYR TRP SER ALA TYR LEU THR ILE SER ASP LEU SEQRES 19 L 286 ARG PRO GLU ASP GLU THR THR TYR TYR CYS CYS SER TYR SEQRES 20 L 286 THR HIS ASN SER GLY CYS VAL PHE GLY THR GLY THR LYS SEQRES 21 L 286 VAL SER VAL LEU GLY GLN SER GLY GLY LEU VAL PRO ARG SEQRES 22 L 286 GLY SER HIS HIS HIS HIS HIS HIS HIS HIS SER ARG SER SEQRES 1 P 214 SER TYR VAL SER PRO LEU SER VAL ALA LEU GLY GLU THR SEQRES 2 P 214 ALA ARG ILE SER CYS GLY ARG GLN ALA LEU GLY SER ARG SEQRES 3 P 214 ALA VAL GLN TRP TYR GLN HIS LYS PRO GLY GLN ALA PRO SEQRES 4 P 214 ILE LEU LEU ILE TYR ASN ASN GLN ASP ARG PRO SER GLY SEQRES 5 P 214 ILE PRO GLU ARG PHE SER GLY THR PRO ASP ILE ASN PHE SEQRES 6 P 214 GLY THR THR ALA THR LEU THR ILE SER GLY VAL GLU VAL SEQRES 7 P 214 GLY ASP GLU ALA ASP TYR TYR CYS HIS MET TRP ASP SER SEQRES 8 P 214 ARG SER GLY PHE SER TRP SER PHE GLY GLY ALA THR ARG SEQRES 9 P 214 LEU THR VAL LEU SER GLN PRO LYS ALA ALA PRO SER VAL SEQRES 10 P 214 THR LEU PHE PRO PRO SER SER GLU GLU LEU GLN ALA ASN SEQRES 11 P 214 LYS ALA THR LEU VAL CYS LEU ILE SER ASP PHE TYR PRO SEQRES 12 P 214 GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SER SER PRO SEQRES 13 P 214 VAL LYS ALA GLY VAL GLU THR THR THR PRO SER LYS GLN SEQRES 14 P 214 SER ASN ASN LYS TYR ALA ALA SER SER TYR LEU SER LEU SEQRES 15 P 214 THR PRO GLU GLN TRP LYS SER HIS LYS SER TYR SER CYS SEQRES 16 P 214 GLN VAL THR HIS GLU GLY SER THR VAL GLU LYS THR VAL SEQRES 17 P 214 ALA PRO THR GLU CYS SER SEQRES 1 R 490 ALA GLU ASN LEU TRP VAL THR VAL TYR TYR GLY VAL PRO SEQRES 2 R 490 VAL TRP LYS ASP ALA GLU THR THR LEU PHE CYS ALA SER SEQRES 3 R 490 ASP ALA LYS ALA TYR GLU THR LYS LYS HIS ASN VAL TRP SEQRES 4 R 490 ALA THR HIS ALA CYS VAL PRO THR ASP PRO ASN PRO GLN SEQRES 5 R 490 GLU ILE HIS LEU GLU ASN VAL THR GLU GLU PHE ASN MET SEQRES 6 R 490 TRP LYS ASN ASN MET VAL GLU GLN MET HIS GLU ASP ILE SEQRES 7 R 490 ILE SER LEU TRP ASP GLN SER LEU LYS PRO CYS VAL LYS SEQRES 8 R 490 LEU THR PRO LEU CYS VAL THR LEU GLN CYS THR ASN VAL SEQRES 9 R 490 THR ASN ASN ILE THR ASP ASP MET ARG GLY GLU LEU LYS SEQRES 10 R 490 ASN CYS SER PHE ASN MET THR THR GLU LEU ARG ASP LYS SEQRES 11 R 490 LYS GLN LYS VAL TYR SER LEU PHE TYR ARG LEU ASP VAL SEQRES 12 R 490 VAL GLN ILE ASN GLU ASN GLN GLY ASN ARG SER ASN ASN SEQRES 13 R 490 SER ASN LYS GLU TYR ARG LEU ILE ASN CYS ASN THR SER SEQRES 14 R 490 ALA ILE THR GLN ALA CYS PRO LYS VAL SER PHE GLU PRO SEQRES 15 R 490 ILE PRO ILE HIS TYR CYS ALA PRO ALA GLY PHE ALA ILE SEQRES 16 R 490 LEU LYS CYS LYS ASP LYS LYS PHE ASN GLY THR GLY PRO SEQRES 17 R 490 CYS PRO SER VAL SER THR VAL GLN CYS THR HIS GLY ILE SEQRES 18 R 490 LYS PRO VAL VAL SER THR GLN LEU LEU LEU ASN GLY SER SEQRES 19 R 490 LEU ALA GLU GLU GLU VAL ILE ILE ARG SER GLU ASN ILE SEQRES 20 R 490 THR ASN ASN ALA LYS ASN ILE LEU VAL GLN LEU ASN THR SEQRES 21 R 490 PRO VAL GLN ILE ASN CYS THR ARG PRO ASN ASN ASN THR SEQRES 22 R 490 VAL LYS SER ILE ARG ILE GLY PRO GLY GLN TRP PHE TYR SEQRES 23 R 490 TYR THR GLY ASP ILE ILE GLY ASP ILE ARG GLN ALA HIS SEQRES 24 R 490 CYS ASN VAL SER LYS ALA THR TRP ASN GLU THR LEU GLY SEQRES 25 R 490 LYS VAL VAL LYS GLN LEU ARG LYS HIS PHE GLY ASN ASN SEQRES 26 R 490 THR ILE ILE ARG PHE ALA ASN SER SER GLY GLY ASP LEU SEQRES 27 R 490 GLU VAL THR THR HIS SER PHE ASN CYS GLY GLY GLU PHE SEQRES 28 R 490 PHE TYR CYS ASN THR SER GLY LEU PHE ASN SER THR TRP SEQRES 29 R 490 ILE SER ASN THR SER VAL GLN GLY SER ASN SER THR GLY SEQRES 30 R 490 SER ASN ASP SER ILE THR LEU PRO CYS ARG ILE LYS GLN SEQRES 31 R 490 ILE ILE ASN MET TRP GLN ARG ILE GLY GLN ALA MET TYR SEQRES 32 R 490 ALA PRO PRO ILE GLN GLY VAL ILE ARG CYS VAL SER ASN SEQRES 33 R 490 ILE THR GLY LEU ILE LEU THR ARG ASP GLY GLY SER THR SEQRES 34 R 490 ASN SER THR THR GLU THR PHE ARG PRO GLY GLY GLY ASP SEQRES 35 R 490 MET ARG ASP ASN TRP ARG SER GLU LEU TYR LYS TYR LYS SEQRES 36 R 490 VAL VAL LYS ILE GLU PRO LEU GLY VAL ALA PRO THR LYS SEQRES 37 R 490 CYS LYS ARG ARG VAL VAL GLY GLY GLY SER GLY GLY GLY SEQRES 38 R 490 GLY SER GLY GLY GLY GLY SER GLY GLY SEQRES 1 S 235 GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ARG SEQRES 2 S 235 PRO SER GLU THR LEU SER VAL THR CYS ILE VAL SER GLY SEQRES 3 S 235 GLY SER ILE SER ASN TYR TYR TRP THR TRP ILE ARG GLN SEQRES 4 S 235 SER PRO GLY LYS GLY LEU GLU TRP ILE GLY TYR ILE SER SEQRES 5 S 235 ASP ARG GLU THR THR THR TYR ASN PRO SER LEU ASN SER SEQRES 6 S 235 ARG ALA VAL ILE SER ARG ASP THR SER LYS ASN GLN LEU SEQRES 7 S 235 SER LEU GLN LEU ARG SER VAL THR THR ALA ASP THR ALA SEQRES 8 S 235 ILE TYR PHE CYS ALA THR ALA ARG ARG GLY GLN ARG ILE SEQRES 9 S 235 TYR GLY VAL VAL SER PHE GLY GLU PHE PHE TYR TYR TYR SEQRES 10 S 235 TYR MET ASP VAL TRP GLY LYS GLY THR ALA VAL THR VAL SEQRES 11 S 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 S 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 S 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 S 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 S 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 S 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 S 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 S 235 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER SEQRES 19 S 235 CYS SEQRES 1 a 164 ALA VAL GLY ILE GLY ALA VAL SER LEU GLY PHE LEU GLY SEQRES 2 a 164 ALA ALA GLY SER THR MET GLY ALA ALA SER MET THR LEU SEQRES 3 a 164 THR VAL GLN ALA ARG ASN LEU LEU SER GLY ILE VAL GLN SEQRES 4 a 164 GLN GLN SER ASN LEU LEU ARG ALA PRO GLU ALA GLN GLN SEQRES 5 a 164 HIS LEU LEU LYS ASP THR HIS TRP GLY ILE LYS GLN LEU SEQRES 6 a 164 GLN ALA ARG VAL LEU ALA VAL GLU HIS TYR LEU ARG ASP SEQRES 7 a 164 GLN GLN LEU LEU GLY ILE TRP GLY CYS SER GLY LYS LEU SEQRES 8 a 164 ILE CYS CYS THR ASN VAL PRO TRP ASN SER SER TRP SER SEQRES 9 a 164 ASN ARG ASN LEU SER GLU ILE TRP ASP ASN MET THR TRP SEQRES 10 a 164 LEU GLN TRP ASP LYS GLU ILE SER ASN TYR THR GLN ILE SEQRES 11 a 164 ILE TYR GLY LEU LEU GLU GLU SER GLN ASN GLN GLN GLU SEQRES 12 a 164 LYS ASN GLU GLN ASP LEU LEU ALA LEU ASP GLY SER GLY SEQRES 13 a 164 GLY SER GLY GLY SER GLY SER GLY SEQRES 1 b 286 GLN GLY GLN LEU VAL GLN SER GLY ALA THR THR THR LYS SEQRES 2 b 286 PRO GLY SER SER VAL LYS ILE SER CYS LYS THR SER GLY SEQRES 3 b 286 TYR ARG PHE ASN PHE TYR HIS ILE ASN TRP ILE ARG GLN SEQRES 4 b 286 THR ALA GLY ARG GLY PRO GLU TRP MET GLY TRP ILE SER SEQRES 5 b 286 PRO TYR SER GLY ASP LYS ASN LEU ALA PRO ALA PHE GLN SEQRES 6 b 286 ASP ARG VAL ASN MET THR THR ASP THR GLU VAL PRO VAL SEQRES 7 b 286 THR SER PHE THR SER THR GLY ALA ALA TYR MET GLU ILE SEQRES 8 b 286 ARG ASN LEU THR SER ASP ASP THR GLY THR TYR PHE CYS SEQRES 9 b 286 ALA LYS GLY LEU LEU ARG ASP GLY SER SER THR TRP LEU SEQRES 10 b 286 PRO TYR LEU TRP GLY GLN GLY THR LEU LEU THR VAL SER SEQRES 11 b 286 SER ALA SER THR GLY GLY GLY GLY SER GLY GLY GLY GLY SEQRES 12 b 286 SER GLY GLY GLY GLY SER GLY GLY GLY GLY SER GLN SER SEQRES 13 b 286 VAL LEU THR GLN SER ALA SER VAL SER GLY SER LEU GLY SEQRES 14 b 286 GLN SER VAL THR ILE SER CYS THR GLY PRO ASN SER VAL SEQRES 15 b 286 CYS CYS SER HIS LYS SER ILE SER TRP TYR GLN TRP PRO SEQRES 16 b 286 PRO GLY ARG ALA PRO THR LEU ILE ILE TYR GLU ASP ASN SEQRES 17 b 286 GLU ARG ALA PRO GLY ILE SER PRO ARG PHE SER GLY TYR SEQRES 18 b 286 LYS SER TYR TRP SER ALA TYR LEU THR ILE SER ASP LEU SEQRES 19 b 286 ARG PRO GLU ASP GLU THR THR TYR TYR CYS CYS SER TYR SEQRES 20 b 286 THR HIS ASN SER GLY CYS VAL PHE GLY THR GLY THR LYS SEQRES 21 b 286 VAL SER VAL LEU GLY GLN SER GLY GLY LEU VAL PRO ARG SEQRES 22 b 286 GLY SER HIS HIS HIS HIS HIS HIS HIS HIS SER ARG SER SEQRES 1 c 214 SER TYR VAL SER PRO LEU SER VAL ALA LEU GLY GLU THR SEQRES 2 c 214 ALA ARG ILE SER CYS GLY ARG GLN ALA LEU GLY SER ARG SEQRES 3 c 214 ALA VAL GLN TRP TYR GLN HIS LYS PRO GLY GLN ALA PRO SEQRES 4 c 214 ILE LEU LEU ILE TYR ASN ASN GLN ASP ARG PRO SER GLY SEQRES 5 c 214 ILE PRO GLU ARG PHE SER GLY THR PRO ASP ILE ASN PHE SEQRES 6 c 214 GLY THR THR ALA THR LEU THR ILE SER GLY VAL GLU VAL SEQRES 7 c 214 GLY ASP GLU ALA ASP TYR TYR CYS HIS MET TRP ASP SER SEQRES 8 c 214 ARG SER GLY PHE SER TRP SER PHE GLY GLY ALA THR ARG SEQRES 9 c 214 LEU THR VAL LEU SER GLN PRO LYS ALA ALA PRO SER VAL SEQRES 10 c 214 THR LEU PHE PRO PRO SER SER GLU GLU LEU GLN ALA ASN SEQRES 11 c 214 LYS ALA THR LEU VAL CYS LEU ILE SER ASP PHE TYR PRO SEQRES 12 c 214 GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SER SER PRO SEQRES 13 c 214 VAL LYS ALA GLY VAL GLU THR THR THR PRO SER LYS GLN SEQRES 14 c 214 SER ASN ASN LYS TYR ALA ALA SER SER TYR LEU SER LEU SEQRES 15 c 214 THR PRO GLU GLN TRP LYS SER HIS LYS SER TYR SER CYS SEQRES 16 c 214 GLN VAL THR HIS GLU GLY SER THR VAL GLU LYS THR VAL SEQRES 17 c 214 ALA PRO THR GLU CYS SER SEQRES 1 e 490 ALA GLU ASN LEU TRP VAL THR VAL TYR TYR GLY VAL PRO SEQRES 2 e 490 VAL TRP LYS ASP ALA GLU THR THR LEU PHE CYS ALA SER SEQRES 3 e 490 ASP ALA LYS ALA TYR GLU THR LYS LYS HIS ASN VAL TRP SEQRES 4 e 490 ALA THR HIS ALA CYS VAL PRO THR ASP PRO ASN PRO GLN SEQRES 5 e 490 GLU ILE HIS LEU GLU ASN VAL THR GLU GLU PHE ASN MET SEQRES 6 e 490 TRP LYS ASN ASN MET VAL GLU GLN MET HIS GLU ASP ILE SEQRES 7 e 490 ILE SER LEU TRP ASP GLN SER LEU LYS PRO CYS VAL LYS SEQRES 8 e 490 LEU THR PRO LEU CYS VAL THR LEU GLN CYS THR ASN VAL SEQRES 9 e 490 THR ASN ASN ILE THR ASP ASP MET ARG GLY GLU LEU LYS SEQRES 10 e 490 ASN CYS SER PHE ASN MET THR THR GLU LEU ARG ASP LYS SEQRES 11 e 490 LYS GLN LYS VAL TYR SER LEU PHE TYR ARG LEU ASP VAL SEQRES 12 e 490 VAL GLN ILE ASN GLU ASN GLN GLY ASN ARG SER ASN ASN SEQRES 13 e 490 SER ASN LYS GLU TYR ARG LEU ILE ASN CYS ASN THR SER SEQRES 14 e 490 ALA ILE THR GLN ALA CYS PRO LYS VAL SER PHE GLU PRO SEQRES 15 e 490 ILE PRO ILE HIS TYR CYS ALA PRO ALA GLY PHE ALA ILE SEQRES 16 e 490 LEU LYS CYS LYS ASP LYS LYS PHE ASN GLY THR GLY PRO SEQRES 17 e 490 CYS PRO SER VAL SER THR VAL GLN CYS THR HIS GLY ILE SEQRES 18 e 490 LYS PRO VAL VAL SER THR GLN LEU LEU LEU ASN GLY SER SEQRES 19 e 490 LEU ALA GLU GLU GLU VAL ILE ILE ARG SER GLU ASN ILE SEQRES 20 e 490 THR ASN ASN ALA LYS ASN ILE LEU VAL GLN LEU ASN THR SEQRES 21 e 490 PRO VAL GLN ILE ASN CYS THR ARG PRO ASN ASN ASN THR SEQRES 22 e 490 VAL LYS SER ILE ARG ILE GLY PRO GLY GLN TRP PHE TYR SEQRES 23 e 490 TYR THR GLY ASP ILE ILE GLY ASP ILE ARG GLN ALA HIS SEQRES 24 e 490 CYS ASN VAL SER LYS ALA THR TRP ASN GLU THR LEU GLY SEQRES 25 e 490 LYS VAL VAL LYS GLN LEU ARG LYS HIS PHE GLY ASN ASN SEQRES 26 e 490 THR ILE ILE ARG PHE ALA ASN SER SER GLY GLY ASP LEU SEQRES 27 e 490 GLU VAL THR THR HIS SER PHE ASN CYS GLY GLY GLU PHE SEQRES 28 e 490 PHE TYR CYS ASN THR SER GLY LEU PHE ASN SER THR TRP SEQRES 29 e 490 ILE SER ASN THR SER VAL GLN GLY SER ASN SER THR GLY SEQRES 30 e 490 SER ASN ASP SER ILE THR LEU PRO CYS ARG ILE LYS GLN SEQRES 31 e 490 ILE ILE ASN MET TRP GLN ARG ILE GLY GLN ALA MET TYR SEQRES 32 e 490 ALA PRO PRO ILE GLN GLY VAL ILE ARG CYS VAL SER ASN SEQRES 33 e 490 ILE THR GLY LEU ILE LEU THR ARG ASP GLY GLY SER THR SEQRES 34 e 490 ASN SER THR THR GLU THR PHE ARG PRO GLY GLY GLY ASP SEQRES 35 e 490 MET ARG ASP ASN TRP ARG SER GLU LEU TYR LYS TYR LYS SEQRES 36 e 490 VAL VAL LYS ILE GLU PRO LEU GLY VAL ALA PRO THR LYS SEQRES 37 e 490 CYS LYS ARG ARG VAL VAL GLY GLY GLY SER GLY GLY GLY SEQRES 38 e 490 GLY SER GLY GLY GLY GLY SER GLY GLY SEQRES 1 f 235 GLN VAL GLN LEU GLN GLU SER GLY PRO GLY LEU VAL ARG SEQRES 2 f 235 PRO SER GLU THR LEU SER VAL THR CYS ILE VAL SER GLY SEQRES 3 f 235 GLY SER ILE SER ASN TYR TYR TRP THR TRP ILE ARG GLN SEQRES 4 f 235 SER PRO GLY LYS GLY LEU GLU TRP ILE GLY TYR ILE SER SEQRES 5 f 235 ASP ARG GLU THR THR THR TYR ASN PRO SER LEU ASN SER SEQRES 6 f 235 ARG ALA VAL ILE SER ARG ASP THR SER LYS ASN GLN LEU SEQRES 7 f 235 SER LEU GLN LEU ARG SER VAL THR THR ALA ASP THR ALA SEQRES 8 f 235 ILE TYR PHE CYS ALA THR ALA ARG ARG GLY GLN ARG ILE SEQRES 9 f 235 TYR GLY VAL VAL SER PHE GLY GLU PHE PHE TYR TYR TYR SEQRES 10 f 235 TYR MET ASP VAL TRP GLY LYS GLY THR ALA VAL THR VAL SEQRES 11 f 235 SER SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU SEQRES 12 f 235 ALA PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA SEQRES 13 f 235 LEU GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL SEQRES 14 f 235 THR VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL SEQRES 15 f 235 HIS THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SEQRES 16 f 235 SER LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU SEQRES 17 f 235 GLY THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SEQRES 18 f 235 SER ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER SEQRES 19 f 235 CYS HET NAG B 701 14 HET NAG B 702 14 HET NAG B 703 14 HET NAG G 601 14 HET NAG G 602 14 HET NAG G 603 14 HET NAG G 604 14 HET NAG G 605 14 HET NAG G 606 14 HET NAG G 607 14 HET NAG G 608 14 HET NAG H 701 14 HET NAG H 702 14 HET NAG H 703 14 HET NAG R 601 14 HET NAG R 602 14 HET NAG R 603 14 HET NAG R 604 14 HET NAG R 605 14 HET NAG R 606 14 HET NAG a 701 14 HET NAG a 702 14 HET NAG a 703 14 HET NAG e 601 14 HET NAG e 602 14 HET NAG e 603 14 HET NAG e 604 14 HET NAG e 605 14 HET NAG e 606 14 HET NAG e 607 14 HET NAG e 608 14 HET NAG A 1 14 HET NAG A 2 14 HET BMA A 3 11 HET MAN A 4 11 HET MAN A 5 11 HET NAG F 1 14 HET NAG F 2 14 HET NAG I 1 14 HET NAG I 2 14 HET BMA I 3 11 HET NAG J 1 14 HET NAG J 2 14 HET BMA J 3 11 HET NAG K 1 14 HET NAG K 2 14 HET NAG M 1 14 HET NAG M 2 14 HET NAG N 1 14 HET NAG N 2 14 HET BMA N 3 11 HET MAN N 4 11 HET MAN N 5 11 HET MAN N 6 11 HET MAN N 7 11 HET MAN N 8 11 HET MAN N 9 11 HET MAN N 10 11 HET NAG T 1 14 HET NAG T 2 14 HET NAG U 1 14 HET NAG U 2 14 HET NAG V 1 14 HET NAG V 2 14 HET BMA V 3 11 HET MAN V 4 11 HET NAG W 1 14 HET NAG W 2 14 HET NAG X 1 14 HET NAG X 2 14 HET NAG Y 1 14 HET NAG Y 2 14 HET BMA Y 3 11 HET NAG Z 1 14 HET NAG Z 2 14 HET BMA Z 3 11 HET NAG g 1 14 HET NAG g 2 14 HET NAG h 1 14 HET NAG h 2 14 HET NAG i 1 14 HET NAG i 2 14 HET BMA i 3 11 HET MAN i 4 11 HET MAN i 5 11 HET MAN i 6 11 HET MAN i 7 11 HET MAN i 8 11 HET MAN i 9 11 HET MAN i 10 11 HET NAG j 1 14 HET NAG j 2 14 HET NAG k 1 14 HET NAG k 2 14 HET BMA k 3 11 HET MAN k 4 11 HET NAG l 1 14 HET NAG l 2 14 HET NAG m 1 14 HET NAG m 2 14 HET BMA m 3 11 HET NAG n 1 14 HET NAG n 2 14 HET BMA n 3 11 HET NAG o 1 14 HET NAG o 2 14 HET NAG p 1 14 HET NAG p 2 14 HET NAG q 1 14 HET NAG q 2 14 HET BMA q 3 11 HET MAN q 4 11 HET MAN q 5 11 HET MAN q 6 11 HET MAN q 7 11 HET MAN q 8 11 HET MAN q 9 11 HET MAN q 10 11 HET NAG r 1 14 HET NAG r 2 14 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM BMA BETA-D-MANNOSE HETNAM MAN ALPHA-D-MANNOSE FORMUL 16 NAG 83(C8 H15 N O6) FORMUL 47 BMA 12(C6 H12 O6) FORMUL 47 MAN 25(C6 H12 O6) HELIX 1 AA1 THR B 529 MET B 535 1 7 HELIX 2 AA2 LEU B 537 ARG B 542 1 6 HELIX 3 AA3 ILE B 573 TRP B 596 1 24 HELIX 4 AA4 THR B 627 ILE B 635 1 9 HELIX 5 AA5 TYR B 638 LEU B 661 1 24 HELIX 6 AA6 PRO D 62 GLN D 65 5 4 HELIX 7 AA7 THR D 95 ASP D 98 5 4 HELIX 8 AA8 PRO D 157 CYS D 161 5 5 HELIX 9 AA9 GLU D 184 ASN D 186 5 3 HELIX 10 AB1 ARG D 213 GLU D 217 5 5 HELIX 11 AB2 GLU C 79 GLU C 83 5 5 HELIX 12 AB3 GLU C 125 ASN C 129 5 5 HELIX 13 AB4 THR C 182 HIS C 189 1 8 HELIX 14 AB5 ALA G 70 CYS G 74 5 5 HELIX 15 AB6 TRP G 96 ASN G 98 5 3 HELIX 16 AB7 ASN G 99 LYS G 117 1 19 HELIX 17 AB8 LEU G 122 CYS G 126 5 5 HELIX 18 AB9 LYS G 335 ARG G 350 1 16 HELIX 19 AC1 ASP G 368 THR G 373 1 6 HELIX 20 AC2 MET G 475 SER G 481 1 7 HELIX 21 AC3 GLU G 482 TYR G 484 5 3 HELIX 22 AC4 THR H 529 MET H 535 1 7 HELIX 23 AC5 LEU H 537 ARG H 542 1 6 HELIX 24 AC6 LYS H 574 TRP H 596 1 23 HELIX 25 AC7 THR H 627 ILE H 635 1 9 HELIX 26 AC8 TYR H 638 LEU H 661 1 24 HELIX 27 AC9 PRO L 62 GLN L 65 5 4 HELIX 28 AD1 THR L 95 ASP L 98 5 4 HELIX 29 AD2 ARG L 213 GLU L 217 5 5 HELIX 30 AD3 GLU P 79 GLU P 83 5 5 HELIX 31 AD4 SER P 122 GLN P 127 1 6 HELIX 32 AD5 THR P 182 HIS P 189 1 8 HELIX 33 AD6 ALA R 70 CYS R 74 5 5 HELIX 34 AD7 TRP R 96 ASN R 98 5 3 HELIX 35 AD8 ASN R 99 LYS R 117 1 19 HELIX 36 AD9 LEU R 122 CYS R 126 5 5 HELIX 37 AE1 MET R 150 GLY R 152 5 3 HELIX 38 AE2 LYS R 335 ARG R 350 1 16 HELIX 39 AE3 MET R 475 SER R 481 1 7 HELIX 40 AE4 GLU R 482 TYR R 484 5 3 HELIX 41 AE5 THR S 83 THR S 87 5 5 HELIX 42 AE6 SER S 154 ALA S 156 5 3 HELIX 43 AE7 PRO S 183 LEU S 187 5 5 HELIX 44 AE8 THR a 529 MET a 535 1 7 HELIX 45 AE9 LEU a 537 ARG a 542 1 6 HELIX 46 AF1 ILE a 573 TRP a 596 1 24 HELIX 47 AF2 THR a 627 ILE a 635 1 9 HELIX 48 AF3 TYR a 638 LEU a 661 1 24 HELIX 49 AF4 PRO b 62 GLN b 65 5 4 HELIX 50 AF5 THR b 95 ASP b 98 5 4 HELIX 51 AF6 ARG b 213 GLU b 217 5 5 HELIX 52 AF7 GLU c 79 GLU c 83 5 5 HELIX 53 AF8 SER c 122 ALA c 128 1 7 HELIX 54 AF9 THR c 182 HIS c 189 1 8 HELIX 55 AG1 ALA e 70 CYS e 74 5 5 HELIX 56 AG2 TRP e 96 ASN e 98 5 3 HELIX 57 AG3 ASN e 99 LYS e 117 1 19 HELIX 58 AG4 LEU e 122 CYS e 126 5 5 HELIX 59 AG5 MET e 150 GLY e 152 5 3 HELIX 60 AG6 LYS e 335 GLY e 354 1 20 HELIX 61 AG7 ASP e 368 THR e 373 1 6 HELIX 62 AG8 MET e 475 SER e 481 1 7 HELIX 63 AG9 GLU e 482 TYR e 484 5 3 HELIX 64 AH1 THR f 83 THR f 87 5 5 HELIX 65 AH2 SER f 154 ALA f 156 5 3 SHEET 1 AA1 3 ILE B 603 PRO B 609 0 SHEET 2 AA1 3 TRP G 35 TYR G 40 -1 O VAL G 38 N CYS B 604 SHEET 3 AA1 3 LEU G 494 THR G 499 -1 O THR G 499 N TRP G 35 SHEET 1 AA2 4 GLN D 3 GLN D 6 0 SHEET 2 AA2 4 LYS D 19 SER D 25 -1 O LYS D 23 N VAL D 5 SHEET 3 AA2 4 ALA D 87 ILE D 91 -1 O MET D 89 N ILE D 20 SHEET 4 AA2 4 VAL D 68 THR D 72 -1 N THR D 71 O TYR D 88 SHEET 1 AA3 5 LYS D 58 LEU D 60 0 SHEET 2 AA3 5 GLU D 46 ILE D 51 -1 N TRP D 50 O ASN D 59 SHEET 3 AA3 5 ILE D 34 THR D 40 -1 N ILE D 34 O ILE D 51 SHEET 4 AA3 5 GLY D 100 LYS D 106 -1 O ALA D 105 N ASN D 35 SHEET 5 AA3 5 THR D 125 LEU D 126 -1 O THR D 125 N TYR D 102 SHEET 1 AA4 2 VAL D 76 PRO D 77 0 SHEET 2 AA4 2 SER D 83 THR D 84 -1 O THR D 84 N VAL D 76 SHEET 1 AA5 4 THR D 137 GLN D 138 0 SHEET 2 AA5 4 SER D 149 THR D 155 -1 O THR D 155 N THR D 137 SHEET 3 AA5 4 ALA D 205 SER D 210 -1 O ILE D 209 N VAL D 150 SHEET 4 AA5 4 PHE D 196 LYS D 200 -1 N TYR D 199 O TYR D 206 SHEET 1 AA6 6 SER D 141 VAL D 142 0 SHEET 2 AA6 6 THR D 237 VAL D 239 1 O LYS D 238 N VAL D 142 SHEET 3 AA6 6 THR D 219 TYR D 225 -1 N TYR D 220 O THR D 237 SHEET 4 AA6 6 SER D 166 TRP D 172 -1 N TRP D 172 O THR D 219 SHEET 5 AA6 6 THR D 179 TYR D 183 -1 O ILE D 181 N TRP D 169 SHEET 6 AA6 6 GLU D 187 ARG D 188 -1 O GLU D 187 N TYR D 183 SHEET 1 AA7 5 VAL C 8 VAL C 13 0 SHEET 2 AA7 5 ALA C 101 VAL C 106 1 O ALA C 101 N SER C 9 SHEET 3 AA7 5 ASP C 85 HIS C 89 -1 N TYR C 86 O THR C 102 SHEET 4 AA7 5 GLN C 34 HIS C 38 -1 N TYR C 36 O TYR C 87 SHEET 5 AA7 5 ILE C 45 ILE C 48 -1 O LEU C 47 N TRP C 35 SHEET 1 AA8 3 ALA C 19 SER C 22 0 SHEET 2 AA8 3 THR C 72 ILE C 75 -1 O LEU C 73 N ILE C 21 SHEET 3 AA8 3 PHE C 62 GLY C 64 -1 N SER C 63 O THR C 74 SHEET 1 AA9 5 SER C 115 PHE C 119 0 SHEET 2 AA9 5 ALA C 131 PHE C 140 -1 O LEU C 136 N THR C 117 SHEET 3 AA9 5 VAL C 160 THR C 162 0 SHEET 4 AA9 5 SER C 166 LYS C 167 0 SHEET 5 AA9 5 TYR C 173 LEU C 181 -1 O ALA C 174 N SER C 166 SHEET 1 AB1 4 SER C 154 PRO C 155 0 SHEET 2 AB1 4 VAL C 145 ALA C 151 -1 N ALA C 151 O SER C 154 SHEET 3 AB1 4 TYR C 192 HIS C 198 -1 O GLN C 195 N ALA C 148 SHEET 4 AB1 4 SER C 201 VAL C 207 -1 O VAL C 207 N TYR C 192 SHEET 1 AB2 5 TRP G 45 ASP G 47 0 SHEET 2 AB2 5 TYR G 486 ILE G 491 -1 O LYS G 490 N LYS G 46 SHEET 3 AB2 5 PHE G 223 CYS G 228 -1 N LEU G 226 O LYS G 487 SHEET 4 AB2 5 VAL G 242 VAL G 245 -1 O VAL G 245 N ILE G 225 SHEET 5 AB2 5 ILE G 84 LEU G 86 -1 N ILE G 84 O THR G 244 SHEET 1 AB3 2 PHE G 53 ALA G 55 0 SHEET 2 AB3 2 HIS G 216 CYS G 218 -1 O HIS G 216 N ALA G 55 SHEET 1 AB4 2 GLU G 91 ASN G 94 0 SHEET 2 AB4 2 THR G 236 CYS G 239 -1 O GLY G 237 N PHE G 93 SHEET 1 AB5 5 LYS G 169 TYR G 177 0 SHEET 2 AB5 5 LEU G 154 THR G 162 -1 N LYS G 155 O PHE G 176 SHEET 3 AB5 5 LEU G 129 THR G 132 -1 N GLN G 130 O SER G 158 SHEET 4 AB5 5 GLU G 190 LEU G 193 -1 O TYR G 191 N LEU G 129 SHEET 5 AB5 5 VAL G 181 GLN G 183 -1 N VAL G 182 O ARG G 192 SHEET 1 AB6 3 ALA G 200 GLN G 203 0 SHEET 2 AB6 3 GLN G 432 TYR G 435 1 O ALA G 433 N ALA G 200 SHEET 3 AB6 3 ILE G 423 ASN G 425 -1 N ILE G 424 O MET G 434 SHEET 1 AB712 LEU G 259 LEU G 261 0 SHEET 2 AB712 ILE G 271 ARG G 273 0 SHEET 3 AB712 ILE G 284 GLY G 312 -1 O LEU G 285 N ARG G 273 SHEET 4 AB712 GLN G 315 ILE G 323 -1 O GLY G 321 N THR G 303 SHEET 5 AB712 HIS G 330 SER G 334 -1 O ASN G 332 N ASN G 295 SHEET 6 AB712 ILE G 359 PHE G 361 0 SHEET 7 AB712 HIS G 374 CYS G 378 0 SHEET 8 AB712 GLU G 381 CYS G 385 -1 O CYS G 385 N HIS G 374 SHEET 9 AB712 SER G 393 TRP G 395 -1 O SER G 393 N PHE G 361 SHEET 10 AB712 SER G 413 LYS G 421 -1 O ARG G 419 N TYR G 384 SHEET 11 AB712 GLY G 441 ARG G 456 -1 O LEU G 454 N ILE G 284 SHEET 12 AB712 GLU G 466 PRO G 470 -1 O ARG G 469 N THR G 455 SHEET 1 AB8 4 LEU O 4 SER O 7 0 SHEET 2 AB8 4 THR O 17 VAL O 24 -1 O ILE O 23 N GLN O 5 SHEET 3 AB8 4 GLN O 77 ARG O 82A-1 O LEU O 80 N VAL O 20 SHEET 4 AB8 4 ALA O 67 ARG O 71 -1 N VAL O 68 O GLN O 81 SHEET 1 AB9 6 TYR O 33 GLN O 39 0 SHEET 2 AB9 6 GLU O 46 ILE O 51 -1 O GLU O 46 N ARG O 38 SHEET 3 AB9 6 THR O 57 TYR O 59 -1 O THR O 58 N TYR O 50 SHEET 4 AB9 6 ALA O 88 ILE O 100A-1 O PHE O 91 N ILE O 37 SHEET 5 AB9 6 PHE O 100J TYR O 100O-1 O TYR O 100M N GLY O 98 SHEET 6 AB9 6 THR O 105 VAL O 107 -1 O THR O 105 N TYR O 90 SHEET 1 AC1 3 ILE H 603 PRO H 609 0 SHEET 2 AC1 3 TRP R 35 TYR R 40 -1 O VAL R 38 N CYS H 604 SHEET 3 AC1 3 LEU R 494 THR R 499 -1 O THR R 499 N TRP R 35 SHEET 1 AC2 4 GLN L 3 GLN L 6 0 SHEET 2 AC2 4 ILE L 20 SER L 25 -1 O LYS L 23 N VAL L 5 SHEET 3 AC2 4 ALA L 87 ILE L 91 -1 O MET L 89 N ILE L 20 SHEET 4 AC2 4 VAL L 68 THR L 72 -1 N THR L 71 O TYR L 88 SHEET 1 AC3 5 LYS L 58 LEU L 60 0 SHEET 2 AC3 5 GLU L 46 ILE L 51 -1 N TRP L 50 O ASN L 59 SHEET 3 AC3 5 ILE L 34 THR L 40 -1 N ILE L 34 O ILE L 51 SHEET 4 AC3 5 GLY L 100 LYS L 106 -1 O ALA L 105 N ASN L 35 SHEET 5 AC3 5 THR L 125 LEU L 126 -1 O THR L 125 N TYR L 102 SHEET 1 AC4 2 VAL L 76 PRO L 77 0 SHEET 2 AC4 2 SER L 83 THR L 84 -1 O THR L 84 N VAL L 76 SHEET 1 AC5 4 THR L 137 GLN L 138 0 SHEET 2 AC5 4 SER L 149 THR L 155 -1 O THR L 155 N THR L 137 SHEET 3 AC5 4 ALA L 205 SER L 210 -1 O ILE L 209 N VAL L 150 SHEET 4 AC5 4 PHE L 196 LYS L 200 -1 N TYR L 199 O TYR L 206 SHEET 1 AC6 5 GLU L 187 ARG L 188 0 SHEET 2 AC6 5 THR L 179 TYR L 183 -1 N TYR L 183 O GLU L 187 SHEET 3 AC6 5 SER L 166 TRP L 172 -1 N GLN L 171 O THR L 179 SHEET 4 AC6 5 THR L 219 TYR L 225 -1 O TYR L 221 N TYR L 170 SHEET 5 AC6 5 THR L 237 LYS L 238 -1 O THR L 237 N TYR L 220 SHEET 1 AC7 5 VAL P 8 VAL P 13 0 SHEET 2 AC7 5 ALA P 101 VAL P 106 1 O THR P 105 N VAL P 13 SHEET 3 AC7 5 ASP P 85 HIS P 89 -1 N TYR P 86 O THR P 102 SHEET 4 AC7 5 GLN P 34 HIS P 38 -1 N HIS P 38 O ASP P 85 SHEET 5 AC7 5 ILE P 45 ILE P 48 -1 O ILE P 45 N GLN P 37 SHEET 1 AC8 3 ALA P 19 SER P 22 0 SHEET 2 AC8 3 THR P 72 ILE P 75 -1 O LEU P 73 N ILE P 21 SHEET 3 AC8 3 PHE P 62 GLY P 64 -1 N SER P 63 O THR P 74 SHEET 1 AC9 5 SER P 115 PHE P 119 0 SHEET 2 AC9 5 ALA P 131 PHE P 140 -1 O LEU P 136 N THR P 117 SHEET 3 AC9 5 VAL P 160 THR P 162 0 SHEET 4 AC9 5 SER P 166 LYS P 167 0 SHEET 5 AC9 5 TYR P 173 LEU P 181 -1 O ALA P 174 N SER P 166 SHEET 1 AD1 4 SER P 154 PRO P 155 0 SHEET 2 AD1 4 VAL P 145 ALA P 151 -1 N ALA P 151 O SER P 154 SHEET 3 AD1 4 TYR P 192 HIS P 198 -1 O GLN P 195 N ALA P 148 SHEET 4 AD1 4 SER P 201 VAL P 207 -1 O VAL P 207 N TYR P 192 SHEET 1 AD2 5 TRP R 45 ASP R 47 0 SHEET 2 AD2 5 TYR R 486 ILE R 491 -1 O LYS R 490 N LYS R 46 SHEET 3 AD2 5 PHE R 223 CYS R 228 -1 N LEU R 226 O LYS R 487 SHEET 4 AD2 5 VAL R 242 VAL R 245 -1 O VAL R 245 N ILE R 225 SHEET 5 AD2 5 ILE R 84 LEU R 86 -1 N ILE R 84 O THR R 244 SHEET 1 AD3 2 PHE R 53 ALA R 55 0 SHEET 2 AD3 2 HIS R 216 CYS R 218 -1 O CYS R 218 N PHE R 53 SHEET 1 AD4 2 GLU R 91 ASN R 94 0 SHEET 2 AD4 2 THR R 236 CYS R 239 -1 O GLY R 237 N PHE R 93 SHEET 1 AD5 5 LYS R 169 TYR R 177 0 SHEET 2 AD5 5 LEU R 154 THR R 162 -1 N PHE R 159 O VAL R 172 SHEET 3 AD5 5 LEU R 129 THR R 132 -1 N GLN R 130 O SER R 158 SHEET 4 AD5 5 GLU R 190 LEU R 193 -1 O TYR R 191 N LEU R 129 SHEET 5 AD5 5 VAL R 181 GLN R 183 -1 N VAL R 182 O ARG R 192 SHEET 1 AD6 3 ALA R 200 GLN R 203 0 SHEET 2 AD6 3 GLN R 432 TYR R 435 1 O ALA R 433 N THR R 202 SHEET 3 AD6 3 ILE R 423 ASN R 425 -1 N ILE R 424 O MET R 434 SHEET 1 AD712 LEU R 259 LEU R 261 0 SHEET 2 AD712 ILE R 271 ARG R 273 0 SHEET 3 AD712 ILE R 284 GLY R 312 -1 O LEU R 285 N ARG R 273 SHEET 4 AD712 GLN R 315 ILE R 323 -1 O GLY R 321 N THR R 303 SHEET 5 AD712 HIS R 330 SER R 334 -1 O ASN R 332 N ASN R 295 SHEET 6 AD712 ILE R 359 PHE R 361 0 SHEET 7 AD712 HIS R 374 CYS R 378 0 SHEET 8 AD712 GLU R 381 CYS R 385 -1 O CYS R 385 N HIS R 374 SHEET 9 AD712 SER R 393 TRP R 395 -1 O SER R 393 N PHE R 361 SHEET 10 AD712 SER R 413 LYS R 421 -1 O ARG R 419 N TYR R 384 SHEET 11 AD712 GLY R 441 ARG R 456 -1 O LEU R 454 N ILE R 284 SHEET 12 AD712 GLU R 466 PRO R 470 -1 O ARG R 469 N THR R 455 SHEET 1 AD8 4 LEU S 4 SER S 7 0 SHEET 2 AD8 4 THR S 17 VAL S 24 -1 O ILE S 23 N GLN S 5 SHEET 3 AD8 4 GLN S 77 ARG S 82A-1 O LEU S 78 N CYS S 22 SHEET 4 AD8 4 ALA S 67 ARG S 71 -1 N SER S 70 O SER S 79 SHEET 1 AD9 7 LEU S 11 VAL S 12 0 SHEET 2 AD9 7 TYR S 33 GLN S 39 0 SHEET 3 AD9 7 GLU S 46 ILE S 51 -1 O GLY S 49 N TRP S 36 SHEET 4 AD9 7 THR S 57 TYR S 59 -1 O THR S 58 N TYR S 50 SHEET 5 AD9 7 ALA S 88 ILE S 100A-1 O PHE S 91 N ILE S 37 SHEET 6 AD9 7 PHE S 100J TRP S 101 -1 O TYR S 100M N GLY S 98 SHEET 7 AD9 7 THR S 105 VAL S 109 -1 O THR S 105 N TYR S 90 SHEET 1 AE1 5 VAL S 119 LEU S 122 0 SHEET 2 AE1 5 ALA S 134 TYR S 143 -1 O LEU S 139 N PHE S 120 SHEET 3 AE1 5 VAL S 161 THR S 163 0 SHEET 4 AE1 5 VAL S 167 LEU S 168 0 SHEET 5 AE1 5 TYR S 174 VAL S 182 -1 O SER S 175 N VAL S 167 SHEET 1 AE2 3 THR S 149 TRP S 152 0 SHEET 2 AE2 3 ILE S 193 HIS S 198 -1 O ASN S 197 N THR S 149 SHEET 3 AE2 3 THR S 203 LYS S 208 -1 O VAL S 205 N VAL S 196 SHEET 1 AE3 3 ILE a 603 PRO a 609 0 SHEET 2 AE3 3 TRP e 35 TYR e 40 -1 O VAL e 38 N CYS a 604 SHEET 3 AE3 3 LEU e 494 THR e 499 -1 O THR e 499 N TRP e 35 SHEET 1 AE4 4 GLN b 3 GLN b 6 0 SHEET 2 AE4 4 LYS b 19 SER b 25 -1 O LYS b 23 N VAL b 5 SHEET 3 AE4 4 ALA b 86 ILE b 91 -1 O MET b 89 N ILE b 20 SHEET 4 AE4 4 VAL b 68 THR b 72 -1 N THR b 71 O TYR b 88 SHEET 1 AE5 5 LYS b 58 LEU b 60 0 SHEET 2 AE5 5 GLU b 46 ILE b 51 -1 N TRP b 50 O ASN b 59 SHEET 3 AE5 5 ILE b 34 THR b 40 -1 N ARG b 38 O GLU b 46 SHEET 4 AE5 5 GLY b 100 LYS b 106 -1 O ALA b 105 N ASN b 35 SHEET 5 AE5 5 THR b 125 LEU b 126 -1 O THR b 125 N TYR b 102 SHEET 1 AE6 2 VAL b 76 PRO b 77 0 SHEET 2 AE6 2 SER b 83 THR b 84 -1 O THR b 84 N VAL b 76 SHEET 1 AE7 4 THR b 137 GLN b 138 0 SHEET 2 AE7 4 SER b 149 THR b 155 -1 O THR b 155 N THR b 137 SHEET 3 AE7 4 ALA b 205 SER b 210 -1 O ILE b 209 N VAL b 150 SHEET 4 AE7 4 PHE b 196 LYS b 200 -1 N TYR b 199 O TYR b 206 SHEET 1 AE8 5 GLU b 187 ARG b 188 0 SHEET 2 AE8 5 THR b 179 TYR b 183 -1 N TYR b 183 O GLU b 187 SHEET 3 AE8 5 SER b 166 TRP b 172 -1 N TRP b 169 O ILE b 181 SHEET 4 AE8 5 THR b 219 TYR b 225 -1 O THR b 219 N TRP b 172 SHEET 5 AE8 5 THR b 237 LYS b 238 -1 O THR b 237 N TYR b 220 SHEET 1 AE9 5 VAL c 8 VAL c 13 0 SHEET 2 AE9 5 ALA c 101 VAL c 106 1 O THR c 105 N VAL c 13 SHEET 3 AE9 5 ASP c 85 HIS c 89 -1 N TYR c 86 O THR c 102 SHEET 4 AE9 5 GLN c 34 HIS c 38 -1 N TYR c 36 O TYR c 87 SHEET 5 AE9 5 ILE c 45 ILE c 48 -1 O ILE c 45 N GLN c 37 SHEET 1 AF1 3 ALA c 19 SER c 22 0 SHEET 2 AF1 3 THR c 72 ILE c 75 -1 O LEU c 73 N ILE c 21 SHEET 3 AF1 3 PHE c 62 GLY c 64 -1 N SER c 63 O THR c 74 SHEET 1 AF2 5 SER c 115 PHE c 119 0 SHEET 2 AF2 5 ALA c 131 PHE c 140 -1 O LEU c 136 N THR c 117 SHEET 3 AF2 5 VAL c 160 THR c 162 0 SHEET 4 AF2 5 SER c 166 LYS c 167 0 SHEET 5 AF2 5 TYR c 173 LEU c 181 -1 O ALA c 174 N SER c 166 SHEET 1 AF3 4 SER c 154 PRO c 155 0 SHEET 2 AF3 4 VAL c 145 ALA c 151 -1 N ALA c 151 O SER c 154 SHEET 3 AF3 4 TYR c 192 HIS c 198 -1 O GLN c 195 N ALA c 148 SHEET 4 AF3 4 SER c 201 VAL c 207 -1 O VAL c 207 N TYR c 192 SHEET 1 AF4 5 TRP e 45 ASP e 47 0 SHEET 2 AF4 5 TYR e 486 ILE e 491 -1 O LYS e 490 N LYS e 46 SHEET 3 AF4 5 PHE e 223 CYS e 228 -1 N LEU e 226 O LYS e 487 SHEET 4 AF4 5 VAL e 242 VAL e 245 -1 O SER e 243 N LYS e 227 SHEET 5 AF4 5 ILE e 84 LEU e 86 -1 N ILE e 84 O THR e 244 SHEET 1 AF5 3 VAL e 75 PRO e 76 0 SHEET 2 AF5 3 PHE e 53 SER e 56 1 N SER e 56 O VAL e 75 SHEET 3 AF5 3 HIS e 216 CYS e 218 -1 O CYS e 218 N PHE e 53 SHEET 1 AF6 2 GLU e 91 ASN e 94 0 SHEET 2 AF6 2 THR e 236 CYS e 239 -1 O GLY e 237 N PHE e 93 SHEET 1 AF7 5 LYS e 169 TYR e 177 0 SHEET 2 AF7 5 LEU e 154 THR e 162 -1 N PHE e 159 O VAL e 172 SHEET 3 AF7 5 LEU e 129 ASN e 133 -1 N GLN e 130 O SER e 158 SHEET 4 AF7 5 GLU e 190 LEU e 193 -1 O TYR e 191 N LEU e 129 SHEET 5 AF7 5 VAL e 181 GLN e 183 -1 N VAL e 182 O ARG e 192 SHEET 1 AF8 3 ALA e 200 GLN e 203 0 SHEET 2 AF8 3 GLN e 432 TYR e 435 1 O ALA e 433 N THR e 202 SHEET 3 AF8 3 ILE e 423 ASN e 425 -1 N ILE e 424 O MET e 434 SHEET 1 AF912 LEU e 259 LEU e 261 0 SHEET 2 AF912 ILE e 271 ARG e 273 0 SHEET 3 AF912 ILE e 284 GLY e 312 -1 O LEU e 285 N ARG e 273 SHEET 4 AF912 GLN e 315 ILE e 323 -1 O PHE e 317 N ILE e 307 SHEET 5 AF912 HIS e 330 SER e 334 -1 O ASN e 332 N ASN e 295 SHEET 6 AF912 ILE e 359 PHE e 361 0 SHEET 7 AF912 HIS e 374 CYS e 378 0 SHEET 8 AF912 GLU e 381 CYS e 385 -1 O CYS e 385 N HIS e 374 SHEET 9 AF912 SER e 393 TRP e 395 -1 O SER e 393 N PHE e 361 SHEET 10 AF912 SER e 413 LYS e 421 -1 O ARG e 419 N TYR e 384 SHEET 11 AF912 GLY e 441 ARG e 456 -1 O LEU e 454 N ILE e 284 SHEET 12 AF912 GLU e 466 PRO e 470 -1 O ARG e 469 N THR e 455 SHEET 1 AG1 4 LEU f 4 SER f 7 0 SHEET 2 AG1 4 THR f 17 VAL f 24 -1 O ILE f 23 N GLN f 5 SHEET 3 AG1 4 GLN f 77 ARG f 82A-1 O LEU f 78 N CYS f 22 SHEET 4 AG1 4 ALA f 67 ARG f 71 -1 N SER f 70 O SER f 79 SHEET 1 AG2 7 LEU f 11 VAL f 12 0 SHEET 2 AG2 7 TYR f 33 GLN f 39 0 SHEET 3 AG2 7 GLU f 46 ILE f 51 -1 O ILE f 51 N TRP f 34 SHEET 4 AG2 7 THR f 57 TYR f 59 -1 O THR f 58 N TYR f 50 SHEET 5 AG2 7 ALA f 88 ILE f 100A-1 O PHE f 91 N ILE f 37 SHEET 6 AG2 7 PHE f 100J TRP f 101 -1 O TYR f 100M N GLY f 98 SHEET 7 AG2 7 THR f 105 VAL f 109 -1 O THR f 105 N TYR f 90 SHEET 1 AG3 5 VAL f 119 LEU f 122 0 SHEET 2 AG3 5 THR f 133 TYR f 143 -1 O LEU f 139 N PHE f 120 SHEET 3 AG3 5 HIS f 162 THR f 163 0 SHEET 4 AG3 5 VAL f 167 LEU f 168 0 SHEET 5 AG3 5 TYR f 174 PRO f 183 -1 O SER f 175 N VAL f 167 SHEET 1 AG4 3 THR f 149 TRP f 152 0 SHEET 2 AG4 3 ILE f 193 HIS f 198 -1 O ASN f 197 N THR f 149 SHEET 3 AG4 3 THR f 203 LYS f 208 -1 O VAL f 205 N VAL f 196 SSBOND 1 CYS B 598 CYS B 604 1555 1555 2.03 SSBOND 2 CYS B 605 CYS G 501 1555 1555 2.03 SSBOND 3 CYS D 22 CYS D 104 1555 1555 2.04 SSBOND 4 CYS D 154 CYS D 222 1555 1555 2.03 SSBOND 5 CYS D 223 CYS D 231 1555 1555 2.03 SSBOND 6 CYS C 23 CYS C 88 1555 1555 2.03 SSBOND 7 CYS C 135 CYS C 194 1555 1555 2.04 SSBOND 8 CYS G 54 CYS G 74 1555 1555 2.03 SSBOND 9 CYS G 119 CYS G 205 1555 1555 2.03 SSBOND 10 CYS G 126 CYS G 196 1555 1555 2.03 SSBOND 11 CYS G 131 CYS G 157 1555 1555 2.03 SSBOND 12 CYS G 218 CYS G 247 1555 1555 2.03 SSBOND 13 CYS G 228 CYS G 239 1555 1555 2.03 SSBOND 14 CYS G 296 CYS G 331 1555 1555 2.03 SSBOND 15 CYS G 378 CYS G 445 1555 1555 2.03 SSBOND 16 CYS G 385 CYS G 418 1555 1555 2.03 SSBOND 17 CYS O 22 CYS O 92 1555 1555 2.04 SSBOND 18 CYS H 598 CYS H 604 1555 1555 2.03 SSBOND 19 CYS H 605 CYS R 501 1555 1555 2.03 SSBOND 20 CYS L 22 CYS L 104 1555 1555 2.04 SSBOND 21 CYS L 154 CYS L 222 1555 1555 2.03 SSBOND 22 CYS L 223 CYS L 231 1555 1555 2.03 SSBOND 23 CYS P 23 CYS P 88 1555 1555 2.03 SSBOND 24 CYS P 135 CYS P 194 1555 1555 2.04 SSBOND 25 CYS R 54 CYS R 74 1555 1555 2.03 SSBOND 26 CYS R 119 CYS R 205 1555 1555 2.04 SSBOND 27 CYS R 126 CYS R 196 1555 1555 2.03 SSBOND 28 CYS R 131 CYS R 157 1555 1555 2.03 SSBOND 29 CYS R 218 CYS R 247 1555 1555 2.03 SSBOND 30 CYS R 228 CYS R 239 1555 1555 2.04 SSBOND 31 CYS R 296 CYS R 331 1555 1555 2.03 SSBOND 32 CYS R 378 CYS R 445 1555 1555 2.03 SSBOND 33 CYS R 385 CYS R 418 1555 1555 2.03 SSBOND 34 CYS S 22 CYS S 92 1555 1555 2.03 SSBOND 35 CYS S 138 CYS S 194 1555 1555 2.04 SSBOND 36 CYS a 598 CYS a 604 1555 1555 2.04 SSBOND 37 CYS a 605 CYS e 501 1555 1555 2.04 SSBOND 38 CYS b 22 CYS b 104 1555 1555 2.03 SSBOND 39 CYS b 154 CYS b 222 1555 1555 2.04 SSBOND 40 CYS b 223 CYS b 231 1555 1555 2.04 SSBOND 41 CYS c 23 CYS c 88 1555 1555 2.03 SSBOND 42 CYS c 135 CYS c 194 1555 1555 2.04 SSBOND 43 CYS e 54 CYS e 74 1555 1555 2.03 SSBOND 44 CYS e 119 CYS e 205 1555 1555 2.03 SSBOND 45 CYS e 126 CYS e 196 1555 1555 2.03 SSBOND 46 CYS e 131 CYS e 157 1555 1555 2.03 SSBOND 47 CYS e 218 CYS e 247 1555 1555 2.03 SSBOND 48 CYS e 228 CYS e 239 1555 1555 2.03 SSBOND 49 CYS e 296 CYS e 331 1555 1555 2.03 SSBOND 50 CYS e 378 CYS e 445 1555 1555 2.03 SSBOND 51 CYS e 385 CYS e 418 1555 1555 2.03 SSBOND 52 CYS f 22 CYS f 92 1555 1555 2.03 SSBOND 53 CYS f 138 CYS f 194 1555 1555 2.04 LINK ND2 ASN B 611 C1 NAG B 701 1555 1555 1.44 LINK ND2 ASN B 625 C1 NAG B 702 1555 1555 1.46 LINK ND2 ASN B 637 C1 NAG B 703 1555 1555 1.44 LINK ND2 ASN D 69 C1 NAG F 1 1555 1555 1.44 LINK ND2 ASN G 88 C1 NAG A 1 1555 1555 1.44 LINK ND2 ASN G 133 C1 NAG G 608 1555 1555 1.45 LINK ND2 ASN G 156 C1 NAG I 1 1555 1555 1.44 LINK ND2 ASN G 160 C1 NAG G 601 1555 1555 1.45 LINK ND2 ASN G 197 C1 NAG G 602 1555 1555 1.44 LINK ND2 ASN G 234 C1 NAG G 603 1555 1555 1.45 LINK ND2 ASN G 262 C1 NAG J 1 1555 1555 1.44 LINK ND2 ASN G 276 C1 NAG G 604 1555 1555 1.44 LINK ND2 ASN G 295 C1 NAG K 1 1555 1555 1.44 LINK ND2 ASN G 301 C1 NAG M 1 1555 1555 1.44 LINK ND2 ASN G 332 C1 NAG N 1 1555 1555 1.42 LINK ND2 ASN G 355 C1 NAG G 605 1555 1555 1.44 LINK ND2 ASN G 386 C1 NAG G 606 1555 1555 1.45 LINK ND2 ASN G 392 C1 NAG G 607 1555 1555 1.44 LINK ND2 ASN G 448 C1 NAG T 1 1555 1555 1.43 LINK ND2 ASN H 611 C1 NAG H 701 1555 1555 1.44 LINK ND2 ASN H 625 C1 NAG H 702 1555 1555 1.44 LINK ND2 ASN H 637 C1 NAG H 703 1555 1555 1.44 LINK ND2 ASN L 69 C1 NAG X 1 1555 1555 1.44 LINK ND2 ASN R 88 C1 NAG V 1 1555 1555 1.43 LINK ND2 ASN R 133 C1 NAG W 1 1555 1555 1.44 LINK ND2 ASN R 156 C1 NAG Y 1 1555 1555 1.44 LINK ND2 ASN R 160 C1 NAG R 601 1555 1555 1.45 LINK ND2 ASN R 197 C1 NAG U 1 1555 1555 1.44 LINK ND2 ASN R 234 C1 NAG R 602 1555 1555 1.44 LINK ND2 ASN R 262 C1 NAG Z 1 1555 1555 1.45 LINK ND2 ASN R 276 C1 NAG R 603 1555 1555 1.44 LINK ND2 ASN R 295 C1 NAG g 1 1555 1555 1.44 LINK ND2 ASN R 301 C1 NAG h 1 1555 1555 1.45 LINK ND2 ASN R 332 C1 NAG i 1 1555 1555 1.42 LINK ND2 ASN R 355 C1 NAG R 604 1555 1555 1.44 LINK ND2 ASN R 386 C1 NAG R 605 1555 1555 1.44 LINK ND2 ASN R 392 C1 NAG R 606 1555 1555 1.44 LINK ND2 ASN R 448 C1 NAG j 1 1555 1555 1.43 LINK ND2 ASN a 611 C1 NAG a 701 1555 1555 1.43 LINK ND2 ASN a 625 C1 NAG a 702 1555 1555 1.45 LINK ND2 ASN a 637 C1 NAG a 703 1555 1555 1.44 LINK ND2 ASN b 69 C1 NAG l 1 1555 1555 1.44 LINK ND2 ASN e 88 C1 NAG k 1 1555 1555 1.44 LINK ND2 ASN e 133 C1 NAG e 608 1555 1555 1.44 LINK ND2 ASN e 160 C1 NAG e 601 1555 1555 1.45 LINK ND2 ASN e 197 C1 NAG e 602 1555 1555 1.44 LINK ND2 ASN e 234 C1 NAG e 603 1555 1555 1.44 LINK ND2 ASN e 262 C1 NAG n 1 1555 1555 1.44 LINK ND2 ASN e 276 C1 NAG e 604 1555 1555 1.44 LINK ND2 ASN e 295 C1 NAG o 1 1555 1555 1.44 LINK ND2 ASN e 301 C1 NAG p 1 1555 1555 1.45 LINK ND2 ASN e 332 C1 NAG q 1 1555 1555 1.43 LINK ND2 ASN e 355 C1 NAG e 605 1555 1555 1.44 LINK ND2 ASN e 386 C1 NAG e 606 1555 1555 1.45 LINK ND2 ASN e 392 C1 NAG e 607 1555 1555 1.44 LINK ND2 ASN e 448 C1 NAG r 1 1555 1555 1.44 LINK O4 NAG A 1 C1 NAG A 2 1555 1555 1.44 LINK O4 NAG A 2 C1 BMA A 3 1555 1555 1.46 LINK O3 BMA A 3 C1 MAN A 4 1555 1555 1.45 LINK O6 BMA A 3 C1 MAN A 5 1555 1555 1.44 LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.44 LINK O4 NAG I 1 C1 NAG I 2 1555 1555 1.45 LINK O4 NAG I 2 C1 BMA I 3 1555 1555 1.45 LINK O4 NAG J 1 C1 NAG J 2 1555 1555 1.45 LINK O4 NAG J 2 C1 BMA J 3 1555 1555 1.45 LINK O4 NAG K 1 C1 NAG K 2 1555 1555 1.44 LINK O4 NAG M 1 C1 NAG M 2 1555 1555 1.44 LINK O4 NAG N 1 C1 NAG N 2 1555 1555 1.44 LINK O4 NAG N 2 C1 BMA N 3 1555 1555 1.44 LINK O3 BMA N 3 C1 MAN N 4 1555 1555 1.45 LINK O6 BMA N 3 C1 MAN N 7 1555 1555 1.44 LINK O2 MAN N 4 C1 MAN N 5 1555 1555 1.45 LINK O2 MAN N 5 C1 MAN N 6 1555 1555 1.44 LINK O6 MAN N 7 C1 MAN N 8 1555 1555 1.45 LINK O3 MAN N 7 C1 MAN N 10 1555 1555 1.45 LINK O2 MAN N 8 C1 MAN N 9 1555 1555 1.45 LINK O4 NAG T 1 C1 NAG T 2 1555 1555 1.45 LINK O4 NAG U 1 C1 NAG U 2 1555 1555 1.44 LINK O4 NAG V 1 C1 NAG V 2 1555 1555 1.46 LINK O4 NAG V 2 C1 BMA V 3 1555 1555 1.45 LINK O3 BMA V 3 C1 MAN V 4 1555 1555 1.44 LINK O4 NAG W 1 C1 NAG W 2 1555 1555 1.45 LINK O4 NAG X 1 C1 NAG X 2 1555 1555 1.44 LINK O4 NAG Y 1 C1 NAG Y 2 1555 1555 1.44 LINK O4 NAG Y 2 C1 BMA Y 3 1555 1555 1.45 LINK O4 NAG Z 1 C1 NAG Z 2 1555 1555 1.45 LINK O4 NAG Z 2 C1 BMA Z 3 1555 1555 1.45 LINK O4 NAG g 1 C1 NAG g 2 1555 1555 1.44 LINK O4 NAG h 1 C1 NAG h 2 1555 1555 1.44 LINK O4 NAG i 1 C1 NAG i 2 1555 1555 1.44 LINK O4 NAG i 2 C1 BMA i 3 1555 1555 1.44 LINK O3 BMA i 3 C1 MAN i 4 1555 1555 1.45 LINK O6 BMA i 3 C1 MAN i 7 1555 1555 1.44 LINK O2 MAN i 4 C1 MAN i 5 1555 1555 1.45 LINK O2 MAN i 5 C1 MAN i 6 1555 1555 1.44 LINK O6 MAN i 7 C1 MAN i 8 1555 1555 1.45 LINK O3 MAN i 7 C1 MAN i 10 1555 1555 1.45 LINK O2 MAN i 8 C1 MAN i 9 1555 1555 1.45 LINK O4 NAG j 1 C1 NAG j 2 1555 1555 1.45 LINK O4 NAG k 1 C1 NAG k 2 1555 1555 1.44 LINK O4 NAG k 2 C1 BMA k 3 1555 1555 1.44 LINK O3 BMA k 3 C1 MAN k 4 1555 1555 1.44 LINK O4 NAG l 1 C1 NAG l 2 1555 1555 1.44 LINK O4 NAG m 1 C1 NAG m 2 1555 1555 1.45 LINK O4 NAG m 2 C1 BMA m 3 1555 1555 1.45 LINK O4 NAG n 1 C1 NAG n 2 1555 1555 1.45 LINK O4 NAG n 2 C1 BMA n 3 1555 1555 1.44 LINK O4 NAG o 1 C1 NAG o 2 1555 1555 1.44 LINK O4 NAG p 1 C1 NAG p 2 1555 1555 1.44 LINK O4 NAG q 1 C1 NAG q 2 1555 1555 1.44 LINK O4 NAG q 2 C1 BMA q 3 1555 1555 1.44 LINK O3 BMA q 3 C1 MAN q 4 1555 1555 1.45 LINK O6 BMA q 3 C1 MAN q 7 1555 1555 1.45 LINK O2 MAN q 4 C1 MAN q 5 1555 1555 1.45 LINK O2 MAN q 5 C1 MAN q 6 1555 1555 1.44 LINK O6 MAN q 7 C1 MAN q 8 1555 1555 1.45 LINK O3 MAN q 7 C1 MAN q 10 1555 1555 1.44 LINK O2 MAN q 8 C1 MAN q 9 1555 1555 1.46 LINK O4 NAG r 1 C1 NAG r 2 1555 1555 1.45 CISPEP 1 TYR C 141 PRO C 142 0 -0.93 CISPEP 2 TYR P 141 PRO P 142 0 -1.55 CISPEP 3 PHE S 144 PRO S 145 0 -8.44 CISPEP 4 GLU S 146 PRO S 147 0 -1.88 CISPEP 5 TYR c 141 PRO c 142 0 -1.41 CISPEP 6 PHE f 144 PRO f 145 0 -7.76 CISPEP 7 GLU f 146 PRO f 147 0 -1.70 CRYST1 357.592 212.044 207.710 90.00 125.07 90.00 C 1 2 1 12 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.002796 0.000000 0.001963 0.00000 SCALE2 0.000000 0.004716 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005882 0.00000