HEADER MEMBRANE PROTEIN 30-DEC-22 8FOI TITLE NATIVE GABA-A RECEPTOR FROM THE MOUSE BRAIN, ALPHA1-BETA2-GAMMA2 TITLE 2 SUBTYPE, IN COMPLEX WITH GABA AND ALLOPREGNANOLONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT ALPHA-1; COMPND 3 CHAIN: A, C; COMPND 4 SYNONYM: GABA(A) RECEPTOR SUBUNIT ALPHA-1; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT BETA-2; COMPND 7 CHAIN: B, E; COMPND 8 SYNONYM: GABA(A) RECEPTOR SUBUNIT BETA-2; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT GAMMA-2; COMPND 11 CHAIN: D; COMPND 12 SYNONYM: GABA(A) RECEPTOR SUBUNIT GAMMA-2; COMPND 13 MOL_ID: 4; COMPND 14 MOLECULE: HEAVY CHAIN OF 8E3 FAB; COMPND 15 CHAIN: H, J; COMPND 16 ENGINEERED: YES; COMPND 17 MOL_ID: 5; COMPND 18 MOLECULE: LIGHT CHAIN OF 8E3-FAB; COMPND 19 CHAIN: K, L; COMPND 20 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 STRAIN: C57BL/6; SOURCE 6 MOL_ID: 2; SOURCE 7 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 8 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 9 ORGANISM_TAXID: 10090; SOURCE 10 STRAIN: C57BL/6; SOURCE 11 MOL_ID: 3; SOURCE 12 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 13 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 14 ORGANISM_TAXID: 10090; SOURCE 15 STRAIN: C57BL/6; SOURCE 16 MOL_ID: 4; SOURCE 17 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 18 ORGANISM_TAXID: 10090; SOURCE 19 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 20 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 21 MOL_ID: 5; SOURCE 22 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 23 ORGANISM_TAXID: 10090; SOURCE 24 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 25 EXPRESSION_SYSTEM_TAXID: 7108 KEYWDS LIGAND-GATED ION CHANNEL, CYS-LOOP RECEPTOR, NEUROTRANSMITTER KEYWDS 2 RECEPTOR, MEMBRANE PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR C.SUN,E.GOUAUX JRNL AUTH C.SUN,H.ZHU,S.CLARK,E.GOUAUX JRNL TITL CRYO-EM STRUCTURES REVEAL NATIVE GABAA RECEPTOR ASSEMBLIES JRNL TITL 2 AND PHARMACOLOGY JRNL REF NATURE 2023 JRNL REFN ESSN 1476-4687 JRNL DOI 10.1038/S41586-023-06556-W REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.V.AFONINE,B.K.POON,R.J.READ,O.V.SOBOLEV,T.C.TERWILLIGER, REMARK 1 AUTH 2 A.URZHUMTSEV,P.D.ADAMS REMARK 1 TITL REAL-SPACE REFINEMENT IN PHENIX FOR CRYO-EM AND REMARK 1 TITL 2 CRYSTALLOGRAPHY. REMARK 1 REF ACTA CRYSTALLOGR D STRUCT V. 74 531 2018 REMARK 1 REF 2 BIOL REMARK 1 REFN ISSN 2059-7983 REMARK 1 PMID 29872004 REMARK 1 DOI 10.1107/S2059798318006551 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC REMARK 3 RECONSTRUCTION SCHEMA : BACK PROJECTION REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : AB INITIO MODEL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 2.500 REMARK 3 NUMBER OF PARTICLES : 299655 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 8FOI 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_1000269426. 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 : NATIVE GABAA RECEPTOR ISOLATED REMARK 245 FROM MOUSE BRAIN CONTAINING TWO REMARK 245 ALPHA1 SUBUNITS, IN COMPLEX REMARK 245 WITH 8E3-FAB, GABA, AND REMARK 245 ALLOPREGNANOLONE REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 0.10 REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 8.00 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 BIOQUANTUM (6K X REMARK 245 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 800.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2100.00 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) : 50.00 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: NONAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, H, J, K, L, F, REMARK 350 AND CHAINS: G, I, M, N, O, P 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 MET A -26 REMARK 465 LYS A -25 REMARK 465 LYS A -24 REMARK 465 SER A -23 REMARK 465 ARG A -22 REMARK 465 GLY A -21 REMARK 465 LEU A -20 REMARK 465 SER A -19 REMARK 465 ASP A -18 REMARK 465 TYR A -17 REMARK 465 LEU A -16 REMARK 465 TRP A -15 REMARK 465 ALA A -14 REMARK 465 TRP A -13 REMARK 465 THR A -12 REMARK 465 LEU A -11 REMARK 465 ILE A -10 REMARK 465 LEU A -9 REMARK 465 SER A -8 REMARK 465 THR A -7 REMARK 465 LEU A -6 REMARK 465 SER A -5 REMARK 465 GLY A -4 REMARK 465 ARG A -3 REMARK 465 SER A -2 REMARK 465 TYR A -1 REMARK 465 GLY A 0 REMARK 465 GLN A 1 REMARK 465 PRO A 2 REMARK 465 SER A 3 REMARK 465 GLN A 4 REMARK 465 ASP A 5 REMARK 465 GLU A 6 REMARK 465 LEU A 7 REMARK 465 LYS A 8 REMARK 465 LYS A 319 REMARK 465 SER A 320 REMARK 465 VAL A 321 REMARK 465 VAL A 322 REMARK 465 PRO A 323 REMARK 465 GLU A 324 REMARK 465 LYS A 325 REMARK 465 PRO A 326 REMARK 465 LYS A 327 REMARK 465 LYS A 328 REMARK 465 VAL A 329 REMARK 465 LYS A 330 REMARK 465 ASP A 331 REMARK 465 PRO A 332 REMARK 465 LEU A 333 REMARK 465 ILE A 334 REMARK 465 LYS A 335 REMARK 465 LYS A 336 REMARK 465 ASN A 337 REMARK 465 ASN A 338 REMARK 465 THR A 339 REMARK 465 TYR A 340 REMARK 465 ALA A 341 REMARK 465 PRO A 342 REMARK 465 THR A 343 REMARK 465 ALA A 344 REMARK 465 THR A 345 REMARK 465 SER A 346 REMARK 465 TYR A 347 REMARK 465 THR A 348 REMARK 465 PRO A 349 REMARK 465 ASN A 350 REMARK 465 LEU A 351 REMARK 465 ALA A 352 REMARK 465 ARG A 353 REMARK 465 GLY A 354 REMARK 465 ASP A 355 REMARK 465 PRO A 356 REMARK 465 GLY A 357 REMARK 465 LEU A 358 REMARK 465 ALA A 359 REMARK 465 THR A 360 REMARK 465 ILE A 361 REMARK 465 ALA A 362 REMARK 465 LYS A 363 REMARK 465 SER A 364 REMARK 465 ALA A 365 REMARK 465 THR A 366 REMARK 465 ILE A 367 REMARK 465 GLU A 368 REMARK 465 PRO A 369 REMARK 465 LYS A 370 REMARK 465 GLU A 371 REMARK 465 VAL A 372 REMARK 465 LYS A 373 REMARK 465 PRO A 374 REMARK 465 GLU A 375 REMARK 465 THR A 376 REMARK 465 LYS A 377 REMARK 465 PRO A 378 REMARK 465 PRO A 379 REMARK 465 GLU A 380 REMARK 465 PRO A 381 REMARK 465 LYS A 382 REMARK 465 PRO A 419 REMARK 465 GLN A 420 REMARK 465 LEU A 421 REMARK 465 LYS A 422 REMARK 465 ALA A 423 REMARK 465 PRO A 424 REMARK 465 THR A 425 REMARK 465 PRO A 426 REMARK 465 HIS A 427 REMARK 465 GLN A 428 REMARK 465 MET B -23 REMARK 465 TRP B -22 REMARK 465 ARG B -21 REMARK 465 VAL B -20 REMARK 465 ARG B -19 REMARK 465 LYS B -18 REMARK 465 ARG B -17 REMARK 465 GLY B -16 REMARK 465 TYR B -15 REMARK 465 PHE B -14 REMARK 465 GLY B -13 REMARK 465 ILE B -12 REMARK 465 TRP B -11 REMARK 465 SER B -10 REMARK 465 PHE B -9 REMARK 465 PRO B -8 REMARK 465 LEU B -7 REMARK 465 ILE B -6 REMARK 465 ILE B -5 REMARK 465 ALA B -4 REMARK 465 ALA B -3 REMARK 465 VAL B -2 REMARK 465 CYS B -1 REMARK 465 ALA B 0 REMARK 465 GLN B 1 REMARK 465 SER B 2 REMARK 465 VAL B 3 REMARK 465 ASN B 4 REMARK 465 ASP B 5 REMARK 465 ARG B 309 REMARK 465 GLY B 310 REMARK 465 PRO B 311 REMARK 465 GLN B 312 REMARK 465 ARG B 313 REMARK 465 GLN B 314 REMARK 465 LYS B 315 REMARK 465 LYS B 316 REMARK 465 ALA B 317 REMARK 465 ALA B 318 REMARK 465 GLU B 319 REMARK 465 LYS B 320 REMARK 465 ALA B 321 REMARK 465 ALA B 322 REMARK 465 ASN B 323 REMARK 465 ALA B 324 REMARK 465 ASN B 325 REMARK 465 ASN B 326 REMARK 465 GLU B 327 REMARK 465 LYS B 328 REMARK 465 MET B 329 REMARK 465 ARG B 330 REMARK 465 LEU B 331 REMARK 465 ASP B 332 REMARK 465 VAL B 333 REMARK 465 ASN B 334 REMARK 465 LYS B 335 REMARK 465 MET B 336 REMARK 465 PHE B 337 REMARK 465 TYR B 338 REMARK 465 LYS B 339 REMARK 465 ASP B 340 REMARK 465 ILE B 341 REMARK 465 LYS B 342 REMARK 465 GLN B 343 REMARK 465 ASN B 344 REMARK 465 GLY B 345 REMARK 465 THR B 346 REMARK 465 GLN B 347 REMARK 465 TYR B 348 REMARK 465 ARG B 349 REMARK 465 SER B 350 REMARK 465 LEU B 351 REMARK 465 TRP B 352 REMARK 465 ASP B 353 REMARK 465 PRO B 354 REMARK 465 THR B 355 REMARK 465 GLY B 356 REMARK 465 ASP B 357 REMARK 465 LEU B 358 REMARK 465 SER B 359 REMARK 465 PRO B 360 REMARK 465 THR B 361 REMARK 465 ARG B 362 REMARK 465 ARG B 363 REMARK 465 THR B 364 REMARK 465 THR B 365 REMARK 465 ASN B 366 REMARK 465 TYR B 367 REMARK 465 ASP B 368 REMARK 465 PHE B 369 REMARK 465 SER B 370 REMARK 465 LEU B 371 REMARK 465 TYR B 372 REMARK 465 THR B 373 REMARK 465 MET B 374 REMARK 465 ASP B 375 REMARK 465 PRO B 376 REMARK 465 HIS B 377 REMARK 465 GLU B 378 REMARK 465 ASN B 379 REMARK 465 ILE B 380 REMARK 465 LEU B 381 REMARK 465 LEU B 382 REMARK 465 SER B 383 REMARK 465 THR B 384 REMARK 465 LEU B 385 REMARK 465 GLU B 386 REMARK 465 ILE B 387 REMARK 465 LYS B 388 REMARK 465 ASN B 389 REMARK 465 GLU B 390 REMARK 465 MET B 391 REMARK 465 ALA B 392 REMARK 465 THR B 393 REMARK 465 SER B 394 REMARK 465 GLU B 395 REMARK 465 ALA B 396 REMARK 465 VAL B 397 REMARK 465 MET B 398 REMARK 465 GLY B 399 REMARK 465 LEU B 400 REMARK 465 GLY B 401 REMARK 465 ASP B 402 REMARK 465 PRO B 403 REMARK 465 ARG B 404 REMARK 465 SER B 405 REMARK 465 THR B 406 REMARK 465 MET B 407 REMARK 465 LEU B 408 REMARK 465 ALA B 409 REMARK 465 TYR B 410 REMARK 465 ASP B 411 REMARK 465 ALA B 412 REMARK 465 SER B 413 REMARK 465 SER B 414 REMARK 465 ILE B 415 REMARK 465 GLN B 416 REMARK 465 TYR B 417 REMARK 465 ARG B 418 REMARK 465 LYS B 419 REMARK 465 ALA B 420 REMARK 465 GLY B 421 REMARK 465 LEU B 422 REMARK 465 PRO B 423 REMARK 465 ARG B 424 REMARK 465 HIS B 425 REMARK 465 SER B 426 REMARK 465 PHE B 427 REMARK 465 GLY B 428 REMARK 465 ARG B 429 REMARK 465 ASN B 430 REMARK 465 ALA B 431 REMARK 465 LEU B 432 REMARK 465 GLU B 433 REMARK 465 ARG B 434 REMARK 465 HIS B 435 REMARK 465 VAL B 436 REMARK 465 ALA B 437 REMARK 465 GLN B 438 REMARK 465 LYS B 439 REMARK 465 LYS B 440 REMARK 465 SER B 441 REMARK 465 ARG B 442 REMARK 465 LEU B 443 REMARK 465 ARG B 444 REMARK 465 ARG B 445 REMARK 465 ARG B 446 REMARK 465 ALA B 447 REMARK 465 SER B 448 REMARK 465 GLN B 449 REMARK 465 LEU B 450 REMARK 465 LYS B 451 REMARK 465 ILE B 452 REMARK 465 THR B 453 REMARK 465 ILE B 454 REMARK 465 PRO B 455 REMARK 465 ASP B 456 REMARK 465 LEU B 457 REMARK 465 ASN B 488 REMARK 465 MET C -26 REMARK 465 LYS C -25 REMARK 465 LYS C -24 REMARK 465 SER C -23 REMARK 465 ARG C -22 REMARK 465 GLY C -21 REMARK 465 LEU C -20 REMARK 465 SER C -19 REMARK 465 ASP C -18 REMARK 465 TYR C -17 REMARK 465 LEU C -16 REMARK 465 TRP C -15 REMARK 465 ALA C -14 REMARK 465 TRP C -13 REMARK 465 THR C -12 REMARK 465 LEU C -11 REMARK 465 ILE C -10 REMARK 465 LEU C -9 REMARK 465 SER C -8 REMARK 465 THR C -7 REMARK 465 LEU C -6 REMARK 465 SER C -5 REMARK 465 GLY C -4 REMARK 465 ARG C -3 REMARK 465 SER C -2 REMARK 465 TYR C -1 REMARK 465 GLY C 0 REMARK 465 GLN C 1 REMARK 465 PRO C 2 REMARK 465 SER C 3 REMARK 465 GLN C 4 REMARK 465 ASP C 5 REMARK 465 GLU C 6 REMARK 465 LEU C 7 REMARK 465 LYS C 8 REMARK 465 LYS C 319 REMARK 465 SER C 320 REMARK 465 VAL C 321 REMARK 465 VAL C 322 REMARK 465 PRO C 323 REMARK 465 GLU C 324 REMARK 465 LYS C 325 REMARK 465 PRO C 326 REMARK 465 LYS C 327 REMARK 465 LYS C 328 REMARK 465 VAL C 329 REMARK 465 LYS C 330 REMARK 465 ASP C 331 REMARK 465 PRO C 332 REMARK 465 LEU C 333 REMARK 465 ILE C 334 REMARK 465 LYS C 335 REMARK 465 LYS C 336 REMARK 465 ASN C 337 REMARK 465 ASN C 338 REMARK 465 THR C 339 REMARK 465 TYR C 340 REMARK 465 ALA C 341 REMARK 465 PRO C 342 REMARK 465 THR C 343 REMARK 465 ALA C 344 REMARK 465 THR C 345 REMARK 465 SER C 346 REMARK 465 TYR C 347 REMARK 465 THR C 348 REMARK 465 PRO C 349 REMARK 465 ASN C 350 REMARK 465 LEU C 351 REMARK 465 ALA C 352 REMARK 465 ARG C 353 REMARK 465 GLY C 354 REMARK 465 ASP C 355 REMARK 465 PRO C 356 REMARK 465 GLY C 357 REMARK 465 LEU C 358 REMARK 465 ALA C 359 REMARK 465 THR C 360 REMARK 465 ILE C 361 REMARK 465 ALA C 362 REMARK 465 LYS C 363 REMARK 465 SER C 364 REMARK 465 ALA C 365 REMARK 465 THR C 366 REMARK 465 ILE C 367 REMARK 465 GLU C 368 REMARK 465 PRO C 369 REMARK 465 LYS C 370 REMARK 465 GLU C 371 REMARK 465 VAL C 372 REMARK 465 LYS C 373 REMARK 465 PRO C 374 REMARK 465 GLU C 375 REMARK 465 THR C 376 REMARK 465 LYS C 377 REMARK 465 PRO C 378 REMARK 465 PRO C 379 REMARK 465 GLU C 380 REMARK 465 PRO C 381 REMARK 465 LYS C 382 REMARK 465 PRO C 419 REMARK 465 GLN C 420 REMARK 465 LEU C 421 REMARK 465 LYS C 422 REMARK 465 ALA C 423 REMARK 465 PRO C 424 REMARK 465 THR C 425 REMARK 465 PRO C 426 REMARK 465 HIS C 427 REMARK 465 GLN C 428 REMARK 465 MET D -37 REMARK 465 SER D -36 REMARK 465 SER D -35 REMARK 465 PRO D -34 REMARK 465 ASN D -33 REMARK 465 THR D -32 REMARK 465 TRP D -31 REMARK 465 SER D -30 REMARK 465 ILE D -29 REMARK 465 GLY D -28 REMARK 465 SER D -27 REMARK 465 SER D -26 REMARK 465 VAL D -25 REMARK 465 TYR D -24 REMARK 465 SER D -23 REMARK 465 PRO D -22 REMARK 465 VAL D -21 REMARK 465 PHE D -20 REMARK 465 SER D -19 REMARK 465 GLN D -18 REMARK 465 LYS D -17 REMARK 465 MET D -16 REMARK 465 THR D -15 REMARK 465 LEU D -14 REMARK 465 TRP D -13 REMARK 465 ILE D -12 REMARK 465 LEU D -11 REMARK 465 LEU D -10 REMARK 465 LEU D -9 REMARK 465 LEU D -8 REMARK 465 SER D -7 REMARK 465 LEU D -6 REMARK 465 TYR D -5 REMARK 465 PRO D -4 REMARK 465 GLY D -3 REMARK 465 PHE D -2 REMARK 465 THR D -1 REMARK 465 SER D 0 REMARK 465 GLN D 1 REMARK 465 LYS D 2 REMARK 465 SER D 3 REMARK 465 ASP D 4 REMARK 465 ASP D 5 REMARK 465 ASP D 6 REMARK 465 TYR D 7 REMARK 465 GLU D 8 REMARK 465 ASP D 9 REMARK 465 TYR D 10 REMARK 465 ALA D 11 REMARK 465 SER D 12 REMARK 465 ASN D 13 REMARK 465 LYS D 14 REMARK 465 THR D 15 REMARK 465 TRP D 16 REMARK 465 VAL D 17 REMARK 465 LEU D 18 REMARK 465 THR D 19 REMARK 465 PRO D 20 REMARK 465 LYS D 21 REMARK 465 VAL D 22 REMARK 465 PRO D 23 REMARK 465 GLU D 24 REMARK 465 PHE D 320 REMARK 465 VAL D 321 REMARK 465 SER D 322 REMARK 465 ASN D 323 REMARK 465 ARG D 324 REMARK 465 LYS D 325 REMARK 465 PRO D 326 REMARK 465 SER D 327 REMARK 465 LYS D 328 REMARK 465 ASP D 329 REMARK 465 LYS D 330 REMARK 465 ASP D 331 REMARK 465 LYS D 332 REMARK 465 LYS D 333 REMARK 465 LYS D 334 REMARK 465 LYS D 335 REMARK 465 ASN D 336 REMARK 465 PRO D 337 REMARK 465 LEU D 338 REMARK 465 LEU D 339 REMARK 465 ARG D 340 REMARK 465 MET D 341 REMARK 465 PHE D 342 REMARK 465 SER D 343 REMARK 465 PHE D 344 REMARK 465 LYS D 345 REMARK 465 ALA D 346 REMARK 465 PRO D 347 REMARK 465 THR D 348 REMARK 465 ILE D 349 REMARK 465 ASP D 350 REMARK 465 ILE D 351 REMARK 465 ARG D 352 REMARK 465 PRO D 353 REMARK 465 ARG D 354 REMARK 465 SER D 355 REMARK 465 ALA D 356 REMARK 465 THR D 357 REMARK 465 ILE D 358 REMARK 465 GLN D 359 REMARK 465 MET D 360 REMARK 465 ASN D 361 REMARK 465 ASN D 362 REMARK 465 ALA D 363 REMARK 465 THR D 364 REMARK 465 HIS D 365 REMARK 465 LEU D 366 REMARK 465 GLN D 367 REMARK 465 GLU D 368 REMARK 465 ARG D 369 REMARK 465 ASP D 370 REMARK 465 GLU D 371 REMARK 465 GLU D 372 REMARK 465 TYR D 373 REMARK 465 GLY D 374 REMARK 465 TYR D 375 REMARK 465 GLU D 376 REMARK 465 CYS D 377 REMARK 465 LEU D 378 REMARK 465 ASP D 379 REMARK 465 GLY D 380 REMARK 465 LYS D 381 REMARK 465 ASP D 382 REMARK 465 CYS D 383 REMARK 465 ALA D 384 REMARK 465 SER D 385 REMARK 465 PHE D 386 REMARK 465 PHE D 387 REMARK 465 CYS D 388 REMARK 465 CYS D 389 REMARK 465 PHE D 390 REMARK 465 GLU D 391 REMARK 465 ASP D 392 REMARK 465 CYS D 393 REMARK 465 ARG D 394 REMARK 465 THR D 395 REMARK 465 GLY D 396 REMARK 465 ALA D 397 REMARK 465 TRP D 398 REMARK 465 ARG D 399 REMARK 465 HIS D 400 REMARK 465 GLY D 401 REMARK 465 ARG D 402 REMARK 465 ILE D 403 REMARK 465 HIS D 404 REMARK 465 ILE D 405 REMARK 465 ARG D 406 REMARK 465 ILE D 407 REMARK 465 ALA D 408 REMARK 465 LYS D 409 REMARK 465 TYR D 433 REMARK 465 LEU D 434 REMARK 465 TYR D 435 REMARK 465 LEU D 436 REMARK 465 MET E -23 REMARK 465 TRP E -22 REMARK 465 ARG E -21 REMARK 465 VAL E -20 REMARK 465 ARG E -19 REMARK 465 LYS E -18 REMARK 465 ARG E -17 REMARK 465 GLY E -16 REMARK 465 TYR E -15 REMARK 465 PHE E -14 REMARK 465 GLY E -13 REMARK 465 ILE E -12 REMARK 465 TRP E -11 REMARK 465 SER E -10 REMARK 465 PHE E -9 REMARK 465 PRO E -8 REMARK 465 LEU E -7 REMARK 465 ILE E -6 REMARK 465 ILE E -5 REMARK 465 ALA E -4 REMARK 465 ALA E -3 REMARK 465 VAL E -2 REMARK 465 CYS E -1 REMARK 465 ALA E 0 REMARK 465 GLN E 1 REMARK 465 SER E 2 REMARK 465 VAL E 3 REMARK 465 ASN E 4 REMARK 465 ASP E 5 REMARK 465 ARG E 309 REMARK 465 GLY E 310 REMARK 465 PRO E 311 REMARK 465 GLN E 312 REMARK 465 ARG E 313 REMARK 465 GLN E 314 REMARK 465 LYS E 315 REMARK 465 LYS E 316 REMARK 465 ALA E 317 REMARK 465 ALA E 318 REMARK 465 GLU E 319 REMARK 465 LYS E 320 REMARK 465 ALA E 321 REMARK 465 ALA E 322 REMARK 465 ASN E 323 REMARK 465 ALA E 324 REMARK 465 ASN E 325 REMARK 465 ASN E 326 REMARK 465 GLU E 327 REMARK 465 LYS E 328 REMARK 465 MET E 329 REMARK 465 ARG E 330 REMARK 465 LEU E 331 REMARK 465 ASP E 332 REMARK 465 VAL E 333 REMARK 465 ASN E 334 REMARK 465 LYS E 335 REMARK 465 MET E 336 REMARK 465 PHE E 337 REMARK 465 TYR E 338 REMARK 465 LYS E 339 REMARK 465 ASP E 340 REMARK 465 ILE E 341 REMARK 465 LYS E 342 REMARK 465 GLN E 343 REMARK 465 ASN E 344 REMARK 465 GLY E 345 REMARK 465 THR E 346 REMARK 465 GLN E 347 REMARK 465 TYR E 348 REMARK 465 ARG E 349 REMARK 465 SER E 350 REMARK 465 LEU E 351 REMARK 465 TRP E 352 REMARK 465 ASP E 353 REMARK 465 PRO E 354 REMARK 465 THR E 355 REMARK 465 GLY E 356 REMARK 465 ASP E 357 REMARK 465 LEU E 358 REMARK 465 SER E 359 REMARK 465 PRO E 360 REMARK 465 THR E 361 REMARK 465 ARG E 362 REMARK 465 ARG E 363 REMARK 465 THR E 364 REMARK 465 THR E 365 REMARK 465 ASN E 366 REMARK 465 TYR E 367 REMARK 465 ASP E 368 REMARK 465 PHE E 369 REMARK 465 SER E 370 REMARK 465 LEU E 371 REMARK 465 TYR E 372 REMARK 465 THR E 373 REMARK 465 MET E 374 REMARK 465 ASP E 375 REMARK 465 PRO E 376 REMARK 465 HIS E 377 REMARK 465 GLU E 378 REMARK 465 ASN E 379 REMARK 465 ILE E 380 REMARK 465 LEU E 381 REMARK 465 LEU E 382 REMARK 465 SER E 383 REMARK 465 THR E 384 REMARK 465 LEU E 385 REMARK 465 GLU E 386 REMARK 465 ILE E 387 REMARK 465 LYS E 388 REMARK 465 ASN E 389 REMARK 465 GLU E 390 REMARK 465 MET E 391 REMARK 465 ALA E 392 REMARK 465 THR E 393 REMARK 465 SER E 394 REMARK 465 GLU E 395 REMARK 465 ALA E 396 REMARK 465 VAL E 397 REMARK 465 MET E 398 REMARK 465 GLY E 399 REMARK 465 LEU E 400 REMARK 465 GLY E 401 REMARK 465 ASP E 402 REMARK 465 PRO E 403 REMARK 465 ARG E 404 REMARK 465 SER E 405 REMARK 465 THR E 406 REMARK 465 MET E 407 REMARK 465 LEU E 408 REMARK 465 ALA E 409 REMARK 465 TYR E 410 REMARK 465 ASP E 411 REMARK 465 ALA E 412 REMARK 465 SER E 413 REMARK 465 SER E 414 REMARK 465 ILE E 415 REMARK 465 GLN E 416 REMARK 465 TYR E 417 REMARK 465 ARG E 418 REMARK 465 LYS E 419 REMARK 465 ALA E 420 REMARK 465 GLY E 421 REMARK 465 LEU E 422 REMARK 465 PRO E 423 REMARK 465 ARG E 424 REMARK 465 HIS E 425 REMARK 465 SER E 426 REMARK 465 PHE E 427 REMARK 465 GLY E 428 REMARK 465 ARG E 429 REMARK 465 ASN E 430 REMARK 465 ALA E 431 REMARK 465 LEU E 432 REMARK 465 GLU E 433 REMARK 465 ARG E 434 REMARK 465 HIS E 435 REMARK 465 VAL E 436 REMARK 465 ALA E 437 REMARK 465 GLN E 438 REMARK 465 LYS E 439 REMARK 465 LYS E 440 REMARK 465 SER E 441 REMARK 465 ARG E 442 REMARK 465 LEU E 443 REMARK 465 ARG E 444 REMARK 465 ARG E 445 REMARK 465 ARG E 446 REMARK 465 ALA E 447 REMARK 465 SER E 448 REMARK 465 GLN E 449 REMARK 465 LEU E 450 REMARK 465 LYS E 451 REMARK 465 ILE E 452 REMARK 465 THR E 453 REMARK 465 ILE E 454 REMARK 465 PRO E 455 REMARK 465 ASP E 456 REMARK 465 LEU E 457 REMARK 465 THR E 458 REMARK 465 SER H 113 REMARK 465 ALA H 114 REMARK 465 LYS H 115 REMARK 465 THR H 116 REMARK 465 THR H 117 REMARK 465 PRO H 118 REMARK 465 PRO H 119 REMARK 465 SER H 120 REMARK 465 VAL H 121 REMARK 465 TYR H 122 REMARK 465 PRO H 123 REMARK 465 LEU H 124 REMARK 465 ALA H 125 REMARK 465 PRO H 126 REMARK 465 GLY H 127 REMARK 465 CYS H 128 REMARK 465 GLY H 129 REMARK 465 ASP H 130 REMARK 465 THR H 131 REMARK 465 THR H 132 REMARK 465 GLY H 133 REMARK 465 SER H 134 REMARK 465 SER H 135 REMARK 465 VAL H 136 REMARK 465 THR H 137 REMARK 465 LEU H 138 REMARK 465 GLY H 139 REMARK 465 CYS H 140 REMARK 465 LEU H 141 REMARK 465 VAL H 142 REMARK 465 LYS H 143 REMARK 465 GLY H 144 REMARK 465 TYR H 145 REMARK 465 PHE H 146 REMARK 465 PRO H 147 REMARK 465 GLU H 148 REMARK 465 SER H 149 REMARK 465 VAL H 150 REMARK 465 THR H 151 REMARK 465 VAL H 152 REMARK 465 THR H 153 REMARK 465 TRP H 154 REMARK 465 ASN H 155 REMARK 465 SER H 156 REMARK 465 GLY H 157 REMARK 465 SER H 158 REMARK 465 LEU H 159 REMARK 465 SER H 160 REMARK 465 SER H 161 REMARK 465 SER H 162 REMARK 465 VAL H 163 REMARK 465 HIS H 164 REMARK 465 THR H 165 REMARK 465 PHE H 166 REMARK 465 PRO H 167 REMARK 465 ALA H 168 REMARK 465 LEU H 169 REMARK 465 LEU H 170 REMARK 465 GLN H 171 REMARK 465 SER H 172 REMARK 465 GLY H 173 REMARK 465 LEU H 174 REMARK 465 TYR H 175 REMARK 465 THR H 176 REMARK 465 MET H 177 REMARK 465 SER H 178 REMARK 465 SER H 179 REMARK 465 SER H 180 REMARK 465 VAL H 181 REMARK 465 THR H 182 REMARK 465 VAL H 183 REMARK 465 PRO H 184 REMARK 465 SER H 185 REMARK 465 SER H 186 REMARK 465 THR H 187 REMARK 465 TRP H 188 REMARK 465 PRO H 189 REMARK 465 SER H 190 REMARK 465 GLN H 191 REMARK 465 THR H 192 REMARK 465 VAL H 193 REMARK 465 THR H 194 REMARK 465 CYS H 195 REMARK 465 SER H 196 REMARK 465 VAL H 197 REMARK 465 ALA H 198 REMARK 465 HIS H 199 REMARK 465 PRO H 200 REMARK 465 ALA H 201 REMARK 465 SER H 202 REMARK 465 SER H 203 REMARK 465 THR H 204 REMARK 465 THR H 205 REMARK 465 VAL H 206 REMARK 465 ASP H 207 REMARK 465 LYS H 208 REMARK 465 LYS H 209 REMARK 465 SER H 210 REMARK 465 ALA H 211 REMARK 465 ALA H 212 REMARK 465 LEU H 213 REMARK 465 GLU H 214 REMARK 465 VAL H 215 REMARK 465 LEU H 216 REMARK 465 PHE H 217 REMARK 465 GLN H 218 REMARK 465 SER J 113 REMARK 465 ALA J 114 REMARK 465 LYS J 115 REMARK 465 THR J 116 REMARK 465 THR J 117 REMARK 465 PRO J 118 REMARK 465 PRO J 119 REMARK 465 SER J 120 REMARK 465 VAL J 121 REMARK 465 TYR J 122 REMARK 465 PRO J 123 REMARK 465 LEU J 124 REMARK 465 ALA J 125 REMARK 465 PRO J 126 REMARK 465 GLY J 127 REMARK 465 CYS J 128 REMARK 465 GLY J 129 REMARK 465 ASP J 130 REMARK 465 THR J 131 REMARK 465 THR J 132 REMARK 465 GLY J 133 REMARK 465 SER J 134 REMARK 465 SER J 135 REMARK 465 VAL J 136 REMARK 465 THR J 137 REMARK 465 LEU J 138 REMARK 465 GLY J 139 REMARK 465 CYS J 140 REMARK 465 LEU J 141 REMARK 465 VAL J 142 REMARK 465 LYS J 143 REMARK 465 GLY J 144 REMARK 465 TYR J 145 REMARK 465 PHE J 146 REMARK 465 PRO J 147 REMARK 465 GLU J 148 REMARK 465 SER J 149 REMARK 465 VAL J 150 REMARK 465 THR J 151 REMARK 465 VAL J 152 REMARK 465 THR J 153 REMARK 465 TRP J 154 REMARK 465 ASN J 155 REMARK 465 SER J 156 REMARK 465 GLY J 157 REMARK 465 SER J 158 REMARK 465 LEU J 159 REMARK 465 SER J 160 REMARK 465 SER J 161 REMARK 465 SER J 162 REMARK 465 VAL J 163 REMARK 465 HIS J 164 REMARK 465 THR J 165 REMARK 465 PHE J 166 REMARK 465 PRO J 167 REMARK 465 ALA J 168 REMARK 465 LEU J 169 REMARK 465 LEU J 170 REMARK 465 GLN J 171 REMARK 465 SER J 172 REMARK 465 GLY J 173 REMARK 465 LEU J 174 REMARK 465 TYR J 175 REMARK 465 THR J 176 REMARK 465 MET J 177 REMARK 465 SER J 178 REMARK 465 SER J 179 REMARK 465 SER J 180 REMARK 465 VAL J 181 REMARK 465 THR J 182 REMARK 465 VAL J 183 REMARK 465 PRO J 184 REMARK 465 SER J 185 REMARK 465 SER J 186 REMARK 465 THR J 187 REMARK 465 TRP J 188 REMARK 465 PRO J 189 REMARK 465 SER J 190 REMARK 465 GLN J 191 REMARK 465 THR J 192 REMARK 465 VAL J 193 REMARK 465 THR J 194 REMARK 465 CYS J 195 REMARK 465 SER J 196 REMARK 465 VAL J 197 REMARK 465 ALA J 198 REMARK 465 HIS J 199 REMARK 465 PRO J 200 REMARK 465 ALA J 201 REMARK 465 SER J 202 REMARK 465 SER J 203 REMARK 465 THR J 204 REMARK 465 THR J 205 REMARK 465 VAL J 206 REMARK 465 ASP J 207 REMARK 465 LYS J 208 REMARK 465 LYS J 209 REMARK 465 SER J 210 REMARK 465 ALA J 211 REMARK 465 ALA J 212 REMARK 465 LEU J 213 REMARK 465 GLU J 214 REMARK 465 VAL J 215 REMARK 465 LEU J 216 REMARK 465 PHE J 217 REMARK 465 GLN J 218 REMARK 465 LYS K 106 REMARK 465 ARG K 107 REMARK 465 ALA K 108 REMARK 465 ASP K 109 REMARK 465 ALA K 110 REMARK 465 ALA K 111 REMARK 465 PRO K 112 REMARK 465 THR K 113 REMARK 465 VAL K 114 REMARK 465 SER K 115 REMARK 465 ILE K 116 REMARK 465 PHE K 117 REMARK 465 PRO K 118 REMARK 465 PRO K 119 REMARK 465 SER K 120 REMARK 465 SER K 121 REMARK 465 GLU K 122 REMARK 465 GLN K 123 REMARK 465 LEU K 124 REMARK 465 THR K 125 REMARK 465 SER K 126 REMARK 465 GLY K 127 REMARK 465 GLY K 128 REMARK 465 ALA K 129 REMARK 465 SER K 130 REMARK 465 VAL K 131 REMARK 465 VAL K 132 REMARK 465 CYS K 133 REMARK 465 PHE K 134 REMARK 465 LEU K 135 REMARK 465 ASN K 136 REMARK 465 ASN K 137 REMARK 465 PHE K 138 REMARK 465 TYR K 139 REMARK 465 PRO K 140 REMARK 465 LYS K 141 REMARK 465 ASP K 142 REMARK 465 ILE K 143 REMARK 465 ASN K 144 REMARK 465 VAL K 145 REMARK 465 LYS K 146 REMARK 465 TRP K 147 REMARK 465 LYS K 148 REMARK 465 ILE K 149 REMARK 465 ASP K 150 REMARK 465 GLY K 151 REMARK 465 SER K 152 REMARK 465 GLU K 153 REMARK 465 ARG K 154 REMARK 465 GLN K 155 REMARK 465 ASN K 156 REMARK 465 GLY K 157 REMARK 465 VAL K 158 REMARK 465 LEU K 159 REMARK 465 ASN K 160 REMARK 465 SER K 161 REMARK 465 TRP K 162 REMARK 465 THR K 163 REMARK 465 ASP K 164 REMARK 465 GLN K 165 REMARK 465 ASP K 166 REMARK 465 SER K 167 REMARK 465 LYS K 168 REMARK 465 ASP K 169 REMARK 465 SER K 170 REMARK 465 THR K 171 REMARK 465 TYR K 172 REMARK 465 SER K 173 REMARK 465 MET K 174 REMARK 465 SER K 175 REMARK 465 SER K 176 REMARK 465 THR K 177 REMARK 465 LEU K 178 REMARK 465 THR K 179 REMARK 465 LEU K 180 REMARK 465 THR K 181 REMARK 465 LYS K 182 REMARK 465 ASP K 183 REMARK 465 GLU K 184 REMARK 465 TYR K 185 REMARK 465 GLU K 186 REMARK 465 ARG K 187 REMARK 465 HIS K 188 REMARK 465 ASN K 189 REMARK 465 SER K 190 REMARK 465 TYR K 191 REMARK 465 THR K 192 REMARK 465 CYS K 193 REMARK 465 GLU K 194 REMARK 465 ALA K 195 REMARK 465 THR K 196 REMARK 465 HIS K 197 REMARK 465 LYS K 198 REMARK 465 THR K 199 REMARK 465 SER K 200 REMARK 465 THR K 201 REMARK 465 SER K 202 REMARK 465 PRO K 203 REMARK 465 ILE K 204 REMARK 465 VAL K 205 REMARK 465 LYS K 206 REMARK 465 SER K 207 REMARK 465 PHE K 208 REMARK 465 ASN K 209 REMARK 465 ARG K 210 REMARK 465 ASN K 211 REMARK 465 GLU K 212 REMARK 465 CYS K 213 REMARK 465 LYS L 106 REMARK 465 ARG L 107 REMARK 465 ALA L 108 REMARK 465 ASP L 109 REMARK 465 ALA L 110 REMARK 465 ALA L 111 REMARK 465 PRO L 112 REMARK 465 THR L 113 REMARK 465 VAL L 114 REMARK 465 SER L 115 REMARK 465 ILE L 116 REMARK 465 PHE L 117 REMARK 465 PRO L 118 REMARK 465 PRO L 119 REMARK 465 SER L 120 REMARK 465 SER L 121 REMARK 465 GLU L 122 REMARK 465 GLN L 123 REMARK 465 LEU L 124 REMARK 465 THR L 125 REMARK 465 SER L 126 REMARK 465 GLY L 127 REMARK 465 GLY L 128 REMARK 465 ALA L 129 REMARK 465 SER L 130 REMARK 465 VAL L 131 REMARK 465 VAL L 132 REMARK 465 CYS L 133 REMARK 465 PHE L 134 REMARK 465 LEU L 135 REMARK 465 ASN L 136 REMARK 465 ASN L 137 REMARK 465 PHE L 138 REMARK 465 TYR L 139 REMARK 465 PRO L 140 REMARK 465 LYS L 141 REMARK 465 ASP L 142 REMARK 465 ILE L 143 REMARK 465 ASN L 144 REMARK 465 VAL L 145 REMARK 465 LYS L 146 REMARK 465 TRP L 147 REMARK 465 LYS L 148 REMARK 465 ILE L 149 REMARK 465 ASP L 150 REMARK 465 GLY L 151 REMARK 465 SER L 152 REMARK 465 GLU L 153 REMARK 465 ARG L 154 REMARK 465 GLN L 155 REMARK 465 ASN L 156 REMARK 465 GLY L 157 REMARK 465 VAL L 158 REMARK 465 LEU L 159 REMARK 465 ASN L 160 REMARK 465 SER L 161 REMARK 465 TRP L 162 REMARK 465 THR L 163 REMARK 465 ASP L 164 REMARK 465 GLN L 165 REMARK 465 ASP L 166 REMARK 465 SER L 167 REMARK 465 LYS L 168 REMARK 465 ASP L 169 REMARK 465 SER L 170 REMARK 465 THR L 171 REMARK 465 TYR L 172 REMARK 465 SER L 173 REMARK 465 MET L 174 REMARK 465 SER L 175 REMARK 465 SER L 176 REMARK 465 THR L 177 REMARK 465 LEU L 178 REMARK 465 THR L 179 REMARK 465 LEU L 180 REMARK 465 THR L 181 REMARK 465 LYS L 182 REMARK 465 ASP L 183 REMARK 465 GLU L 184 REMARK 465 TYR L 185 REMARK 465 GLU L 186 REMARK 465 ARG L 187 REMARK 465 HIS L 188 REMARK 465 ASN L 189 REMARK 465 SER L 190 REMARK 465 TYR L 191 REMARK 465 THR L 192 REMARK 465 CYS L 193 REMARK 465 GLU L 194 REMARK 465 ALA L 195 REMARK 465 THR L 196 REMARK 465 HIS L 197 REMARK 465 LYS L 198 REMARK 465 THR L 199 REMARK 465 SER L 200 REMARK 465 THR L 201 REMARK 465 SER L 202 REMARK 465 PRO L 203 REMARK 465 ILE L 204 REMARK 465 VAL L 205 REMARK 465 LYS L 206 REMARK 465 SER L 207 REMARK 465 PHE L 208 REMARK 465 ASN L 209 REMARK 465 ARG L 210 REMARK 465 ASN L 211 REMARK 465 GLU L 212 REMARK 465 CYS L 213 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 MET D 410 CG SD CE REMARK 470 GLU H 1 CG CD OE1 OE2 REMARK 470 GLN H 3 CG CD OE1 NE2 REMARK 470 LEU H 11 CG CD1 CD2 REMARK 470 ASP H 72 CG OD1 OD2 REMARK 470 GLU H 85 CG CD OE1 OE2 REMARK 470 GLU J 1 CG CD OE1 OE2 REMARK 470 GLN J 3 CG CD OE1 NE2 REMARK 470 LEU J 11 CG CD1 CD2 REMARK 470 ASP J 72 CG OD1 OD2 REMARK 470 GLU J 85 CG CD OE1 OE2 REMARK 470 SER K 12 OG REMARK 470 MET K 13 CG SD CE REMARK 470 SER K 34 OG REMARK 470 GLU K 41 CG CD OE1 OE2 REMARK 470 ASP K 82 CG OD1 OD2 REMARK 470 ASP K 85 CG OD1 OD2 REMARK 470 SER L 12 OG REMARK 470 MET L 13 CG SD CE REMARK 470 SER L 34 OG REMARK 470 GLN L 38 CG CD OE1 NE2 REMARK 470 GLU L 41 CG CD OE1 OE2 REMARK 470 ASP L 82 CG OD1 OD2 REMARK 470 ASP L 85 CG OD1 OD2 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 LEU D 274 OG1 THR D 277 2.04 REMARK 500 O3 NAG I 2 O2 BMA I 3 2.08 REMARK 500 O PRO D 263 OG SER D 267 2.09 REMARK 500 O LEU D 268 OG1 THR D 272 2.09 REMARK 500 O ALA E 252 OG1 THR E 256 2.11 REMARK 500 OG1 THR B 202 OE1 ABU B 501 2.11 REMARK 500 OH TYR E 284 OD1 ASN E 479 2.12 REMARK 500 OG1 THR D 294 OD1 ASP D 297 2.15 REMARK 500 O ILE A 391 OG SER A 395 2.16 REMARK 500 NH1 ARG A 248 O SER A 387 2.18 REMARK 500 OD1 ASP A 191 NZ LYS A 221 2.19 REMARK 500 O ILE L 2 OG1 THR L 96 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 ASP A 97 53.80 -92.16 REMARK 500 LEU A 142 53.13 -91.02 REMARK 500 MET A 147 58.64 -95.39 REMARK 500 ARG A 172 -168.43 -116.73 REMARK 500 LEU B 72 31.88 -98.13 REMARK 500 ASP B 171 -123.31 63.50 REMARK 500 ASP C 97 52.01 -90.53 REMARK 500 MET C 147 55.85 -94.16 REMARK 500 ARG C 172 -168.41 -115.78 REMARK 500 ASP C 183 53.06 -91.38 REMARK 500 LEU D 87 52.48 -92.46 REMARK 500 SER D 91 -177.35 -170.21 REMARK 500 PRO D 159 46.33 -94.40 REMARK 500 ASP E 245 53.01 -90.60 REMARK 500 PRO E 276 53.87 -92.51 REMARK 500 ILE H 48 -60.17 -91.61 REMARK 500 ALA H 88 -175.59 -170.23 REMARK 500 ILE J 48 -61.39 -95.77 REMARK 500 TYR K 32 63.52 -101.51 REMARK 500 SER K 67 -60.03 -94.74 REMARK 500 ALA K 68 -55.53 -125.62 REMARK 500 ASN K 93 -167.87 -103.77 REMARK 500 TYR L 32 31.11 -94.12 REMARK 500 ALA L 51 -2.96 73.05 REMARK 500 SER L 52 -24.82 -148.77 REMARK 500 THR L 69 -4.34 74.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-29350 RELATED DB: EMDB REMARK 900 NATIVE GABA-A RECEPTOR FROM THE MOUSE BRAIN, ALPHA1-BETA2-GAMMA2 REMARK 900 SUBTYPE, IN COMPLEX WITH GABA AND ALLOPREGNANOLONE DBREF 8FOI A -26 428 UNP P62812 GBRA1_MOUSE 1 455 DBREF 8FOI B -23 488 UNP P63137 GBRB2_MOUSE 1 512 DBREF 8FOI C -26 428 UNP P62812 GBRA1_MOUSE 1 455 DBREF 8FOI D -37 436 UNP P22723 GBRG2_MOUSE 1 474 DBREF 8FOI E -23 488 UNP P63137 GBRB2_MOUSE 1 512 DBREF 8FOI H 1 218 PDB 8FOI 8FOI 1 218 DBREF 8FOI J 1 218 PDB 8FOI 8FOI 1 218 DBREF 8FOI K 1 213 PDB 8FOI 8FOI 1 213 DBREF 8FOI L 1 213 PDB 8FOI 8FOI 1 213 SEQRES 1 A 455 MET LYS LYS SER ARG GLY LEU SER ASP TYR LEU TRP ALA SEQRES 2 A 455 TRP THR LEU ILE LEU SER THR LEU SER GLY ARG SER TYR SEQRES 3 A 455 GLY GLN PRO SER GLN ASP GLU LEU LYS ASP ASN THR THR SEQRES 4 A 455 VAL PHE THR ARG ILE LEU ASP ARG LEU LEU ASP GLY TYR SEQRES 5 A 455 ASP ASN ARG LEU ARG PRO GLY LEU GLY GLU ARG VAL THR SEQRES 6 A 455 GLU VAL LYS THR ASP ILE PHE VAL THR SER PHE GLY PRO SEQRES 7 A 455 VAL SER ASP HIS ASP MET GLU TYR THR ILE ASP VAL PHE SEQRES 8 A 455 PHE ARG GLN SER TRP LYS ASP GLU ARG LEU LYS PHE LYS SEQRES 9 A 455 GLY PRO MET THR VAL LEU ARG LEU ASN ASN LEU MET ALA SEQRES 10 A 455 SER LYS ILE TRP THR PRO ASP THR PHE PHE HIS ASN GLY SEQRES 11 A 455 LYS LYS SER VAL ALA HIS ASN MET THR MET PRO ASN LYS SEQRES 12 A 455 LEU LEU ARG ILE THR GLU ASP GLY THR LEU LEU TYR THR SEQRES 13 A 455 MET ARG LEU THR VAL ARG ALA GLU CYS PRO MET HIS LEU SEQRES 14 A 455 GLU ASP PHE PRO MET ASP ALA HIS ALA CYS PRO LEU LYS SEQRES 15 A 455 PHE GLY SER TYR ALA TYR THR ARG ALA GLU VAL VAL TYR SEQRES 16 A 455 GLU TRP THR ARG GLU PRO ALA ARG SER VAL VAL VAL ALA SEQRES 17 A 455 GLU ASP GLY SER ARG LEU ASN GLN TYR ASP LEU LEU GLY SEQRES 18 A 455 GLN THR VAL ASP SER GLY ILE VAL GLN SER SER THR GLY SEQRES 19 A 455 GLU TYR VAL VAL MET THR THR HIS PHE HIS LEU LYS ARG SEQRES 20 A 455 LYS ILE GLY TYR PHE VAL ILE GLN THR TYR LEU PRO CYS SEQRES 21 A 455 ILE MET THR VAL ILE LEU SER GLN VAL SER PHE TRP LEU SEQRES 22 A 455 ASN ARG GLU SER VAL PRO ALA ARG THR VAL PHE GLY VAL SEQRES 23 A 455 THR THR VAL LEU THR MET THR THR LEU SER ILE SER ALA SEQRES 24 A 455 ARG ASN SER LEU PRO LYS VAL ALA TYR ALA THR ALA MET SEQRES 25 A 455 ASP TRP PHE ILE ALA VAL CYS TYR ALA PHE VAL PHE SER SEQRES 26 A 455 ALA LEU ILE GLU PHE ALA THR VAL ASN TYR PHE THR LYS SEQRES 27 A 455 ARG GLY TYR ALA TRP ASP GLY LYS SER VAL VAL PRO GLU SEQRES 28 A 455 LYS PRO LYS LYS VAL LYS ASP PRO LEU ILE LYS LYS ASN SEQRES 29 A 455 ASN THR TYR ALA PRO THR ALA THR SER TYR THR PRO ASN SEQRES 30 A 455 LEU ALA ARG GLY ASP PRO GLY LEU ALA THR ILE ALA LYS SEQRES 31 A 455 SER ALA THR ILE GLU PRO LYS GLU VAL LYS PRO GLU THR SEQRES 32 A 455 LYS PRO PRO GLU PRO LYS LYS THR PHE ASN SER VAL SER SEQRES 33 A 455 LYS ILE ASP ARG LEU SER ARG ILE ALA PHE PRO LEU LEU SEQRES 34 A 455 PHE GLY ILE PHE ASN LEU VAL TYR TRP ALA THR TYR LEU SEQRES 35 A 455 ASN ARG GLU PRO GLN LEU LYS ALA PRO THR PRO HIS GLN SEQRES 1 B 512 MET TRP ARG VAL ARG LYS ARG GLY TYR PHE GLY ILE TRP SEQRES 2 B 512 SER PHE PRO LEU ILE ILE ALA ALA VAL CYS ALA GLN SER SEQRES 3 B 512 VAL ASN ASP PRO SER ASN MET SER LEU VAL LYS GLU THR SEQRES 4 B 512 VAL ASP ARG LEU LEU LYS GLY TYR ASP ILE ARG LEU ARG SEQRES 5 B 512 PRO ASP PHE GLY GLY PRO PRO VAL ALA VAL GLY MET ASN SEQRES 6 B 512 ILE ASP ILE ALA SER ILE ASP MET VAL SER GLU VAL ASN SEQRES 7 B 512 MET ASP TYR THR LEU THR MET TYR PHE GLN GLN ALA TRP SEQRES 8 B 512 ARG ASP LYS ARG LEU SER TYR ASN VAL ILE PRO LEU ASN SEQRES 9 B 512 LEU THR LEU ASP ASN ARG VAL ALA ASP GLN LEU TRP VAL SEQRES 10 B 512 PRO ASP THR TYR PHE LEU ASN ASP LYS LYS SER PHE VAL SEQRES 11 B 512 HIS GLY VAL THR VAL LYS ASN ARG MET ILE ARG LEU HIS SEQRES 12 B 512 PRO ASP GLY THR VAL LEU TYR GLY LEU ARG ILE THR THR SEQRES 13 B 512 THR ALA ALA CYS MET MET ASP LEU ARG ARG TYR PRO LEU SEQRES 14 B 512 ASP GLU GLN ASN CYS THR LEU GLU ILE GLU SER TYR GLY SEQRES 15 B 512 TYR THR THR ASP ASP ILE GLU PHE TYR TRP ARG GLY ASP SEQRES 16 B 512 ASP ASN ALA VAL THR GLY VAL THR LYS ILE GLU LEU PRO SEQRES 17 B 512 GLN PHE SER ILE VAL ASP TYR LYS LEU ILE THR LYS LYS SEQRES 18 B 512 VAL VAL PHE SER THR GLY SER TYR PRO ARG LEU SER LEU SEQRES 19 B 512 SER PHE LYS LEU LYS ARG ASN ILE GLY TYR PHE ILE LEU SEQRES 20 B 512 GLN THR TYR MET PRO SER ILE LEU ILE THR ILE LEU SER SEQRES 21 B 512 TRP VAL SER PHE TRP ILE ASN TYR ASP ALA SER ALA ALA SEQRES 22 B 512 ARG VAL ALA LEU GLY ILE THR THR VAL LEU THR MET THR SEQRES 23 B 512 THR ILE ASN THR HIS LEU ARG GLU THR LEU PRO LYS ILE SEQRES 24 B 512 PRO TYR VAL LYS ALA ILE ASP MET TYR LEU MET GLY CYS SEQRES 25 B 512 PHE VAL PHE VAL PHE MET ALA LEU LEU GLU TYR ALA LEU SEQRES 26 B 512 VAL ASN TYR ILE PHE PHE GLY ARG GLY PRO GLN ARG GLN SEQRES 27 B 512 LYS LYS ALA ALA GLU LYS ALA ALA ASN ALA ASN ASN GLU SEQRES 28 B 512 LYS MET ARG LEU ASP VAL ASN LYS MET PHE TYR LYS ASP SEQRES 29 B 512 ILE LYS GLN ASN GLY THR GLN TYR ARG SER LEU TRP ASP SEQRES 30 B 512 PRO THR GLY ASP LEU SER PRO THR ARG ARG THR THR ASN SEQRES 31 B 512 TYR ASP PHE SER LEU TYR THR MET ASP PRO HIS GLU ASN SEQRES 32 B 512 ILE LEU LEU SER THR LEU GLU ILE LYS ASN GLU MET ALA SEQRES 33 B 512 THR SER GLU ALA VAL MET GLY LEU GLY ASP PRO ARG SER SEQRES 34 B 512 THR MET LEU ALA TYR ASP ALA SER SER ILE GLN TYR ARG SEQRES 35 B 512 LYS ALA GLY LEU PRO ARG HIS SER PHE GLY ARG ASN ALA SEQRES 36 B 512 LEU GLU ARG HIS VAL ALA GLN LYS LYS SER ARG LEU ARG SEQRES 37 B 512 ARG ARG ALA SER GLN LEU LYS ILE THR ILE PRO ASP LEU SEQRES 38 B 512 THR ASP VAL ASN ALA ILE ASP ARG TRP SER ARG ILE PHE SEQRES 39 B 512 PHE PRO VAL VAL PHE SER PHE PHE ASN ILE VAL TYR TRP SEQRES 40 B 512 LEU TYR TYR VAL ASN SEQRES 1 C 455 MET LYS LYS SER ARG GLY LEU SER ASP TYR LEU TRP ALA SEQRES 2 C 455 TRP THR LEU ILE LEU SER THR LEU SER GLY ARG SER TYR SEQRES 3 C 455 GLY GLN PRO SER GLN ASP GLU LEU LYS ASP ASN THR THR SEQRES 4 C 455 VAL PHE THR ARG ILE LEU ASP ARG LEU LEU ASP GLY TYR SEQRES 5 C 455 ASP ASN ARG LEU ARG PRO GLY LEU GLY GLU ARG VAL THR SEQRES 6 C 455 GLU VAL LYS THR ASP ILE PHE VAL THR SER PHE GLY PRO SEQRES 7 C 455 VAL SER ASP HIS ASP MET GLU TYR THR ILE ASP VAL PHE SEQRES 8 C 455 PHE ARG GLN SER TRP LYS ASP GLU ARG LEU LYS PHE LYS SEQRES 9 C 455 GLY PRO MET THR VAL LEU ARG LEU ASN ASN LEU MET ALA SEQRES 10 C 455 SER LYS ILE TRP THR PRO ASP THR PHE PHE HIS ASN GLY SEQRES 11 C 455 LYS LYS SER VAL ALA HIS ASN MET THR MET PRO ASN LYS SEQRES 12 C 455 LEU LEU ARG ILE THR GLU ASP GLY THR LEU LEU TYR THR SEQRES 13 C 455 MET ARG LEU THR VAL ARG ALA GLU CYS PRO MET HIS LEU SEQRES 14 C 455 GLU ASP PHE PRO MET ASP ALA HIS ALA CYS PRO LEU LYS SEQRES 15 C 455 PHE GLY SER TYR ALA TYR THR ARG ALA GLU VAL VAL TYR SEQRES 16 C 455 GLU TRP THR ARG GLU PRO ALA ARG SER VAL VAL VAL ALA SEQRES 17 C 455 GLU ASP GLY SER ARG LEU ASN GLN TYR ASP LEU LEU GLY SEQRES 18 C 455 GLN THR VAL ASP SER GLY ILE VAL GLN SER SER THR GLY SEQRES 19 C 455 GLU TYR VAL VAL MET THR THR HIS PHE HIS LEU LYS ARG SEQRES 20 C 455 LYS ILE GLY TYR PHE VAL ILE GLN THR TYR LEU PRO CYS SEQRES 21 C 455 ILE MET THR VAL ILE LEU SER GLN VAL SER PHE TRP LEU SEQRES 22 C 455 ASN ARG GLU SER VAL PRO ALA ARG THR VAL PHE GLY VAL SEQRES 23 C 455 THR THR VAL LEU THR MET THR THR LEU SER ILE SER ALA SEQRES 24 C 455 ARG ASN SER LEU PRO LYS VAL ALA TYR ALA THR ALA MET SEQRES 25 C 455 ASP TRP PHE ILE ALA VAL CYS TYR ALA PHE VAL PHE SER SEQRES 26 C 455 ALA LEU ILE GLU PHE ALA THR VAL ASN TYR PHE THR LYS SEQRES 27 C 455 ARG GLY TYR ALA TRP ASP GLY LYS SER VAL VAL PRO GLU SEQRES 28 C 455 LYS PRO LYS LYS VAL LYS ASP PRO LEU ILE LYS LYS ASN SEQRES 29 C 455 ASN THR TYR ALA PRO THR ALA THR SER TYR THR PRO ASN SEQRES 30 C 455 LEU ALA ARG GLY ASP PRO GLY LEU ALA THR ILE ALA LYS SEQRES 31 C 455 SER ALA THR ILE GLU PRO LYS GLU VAL LYS PRO GLU THR SEQRES 32 C 455 LYS PRO PRO GLU PRO LYS LYS THR PHE ASN SER VAL SER SEQRES 33 C 455 LYS ILE ASP ARG LEU SER ARG ILE ALA PHE PRO LEU LEU SEQRES 34 C 455 PHE GLY ILE PHE ASN LEU VAL TYR TRP ALA THR TYR LEU SEQRES 35 C 455 ASN ARG GLU PRO GLN LEU LYS ALA PRO THR PRO HIS GLN SEQRES 1 D 474 MET SER SER PRO ASN THR TRP SER ILE GLY SER SER VAL SEQRES 2 D 474 TYR SER PRO VAL PHE SER GLN LYS MET THR LEU TRP ILE SEQRES 3 D 474 LEU LEU LEU LEU SER LEU TYR PRO GLY PHE THR SER GLN SEQRES 4 D 474 LYS SER ASP ASP ASP TYR GLU ASP TYR ALA SER ASN LYS SEQRES 5 D 474 THR TRP VAL LEU THR PRO LYS VAL PRO GLU GLY ASP VAL SEQRES 6 D 474 THR VAL ILE LEU ASN ASN LEU LEU GLU GLY TYR ASP ASN SEQRES 7 D 474 LYS LEU ARG PRO ASP ILE GLY VAL LYS PRO THR LEU ILE SEQRES 8 D 474 HIS THR ASP MET TYR VAL ASN SER ILE GLY PRO VAL ASN SEQRES 9 D 474 ALA ILE ASN MET GLU TYR THR ILE ASP ILE PHE PHE ALA SEQRES 10 D 474 GLN THR TRP TYR ASP ARG ARG LEU LYS PHE ASN SER THR SEQRES 11 D 474 ILE LYS VAL LEU ARG LEU ASN SER ASN MET VAL GLY LYS SEQRES 12 D 474 ILE TRP ILE PRO ASP THR PHE PHE ARG ASN SER LYS LYS SEQRES 13 D 474 ALA ASP ALA HIS TRP ILE THR THR PRO ASN ARG MET LEU SEQRES 14 D 474 ARG ILE TRP ASN ASP GLY ARG VAL LEU TYR THR LEU ARG SEQRES 15 D 474 LEU THR ILE ASP ALA GLU CYS GLN LEU GLN LEU HIS ASN SEQRES 16 D 474 PHE PRO MET ASP GLU HIS SER CYS PRO LEU GLU PHE SER SEQRES 17 D 474 SER TYR GLY TYR PRO ARG GLU GLU ILE VAL TYR GLN TRP SEQRES 18 D 474 LYS ARG SER SER VAL GLU VAL GLY ASP THR ARG SER TRP SEQRES 19 D 474 ARG LEU TYR GLN PHE SER PHE VAL GLY LEU ARG ASN THR SEQRES 20 D 474 THR GLU VAL VAL LYS THR THR SER GLY ASP TYR VAL VAL SEQRES 21 D 474 MET SER VAL TYR PHE ASP LEU SER ARG ARG MET GLY TYR SEQRES 22 D 474 PHE THR ILE GLN THR TYR ILE PRO CYS THR LEU ILE VAL SEQRES 23 D 474 VAL LEU SER TRP VAL SER PHE TRP ILE ASN LYS ASP ALA SEQRES 24 D 474 VAL PRO ALA ARG THR SER LEU GLY ILE THR THR VAL LEU SEQRES 25 D 474 THR MET THR THR LEU SER THR ILE ALA ARG LYS SER LEU SEQRES 26 D 474 PRO LYS VAL SER TYR VAL THR ALA MET ASP LEU PHE VAL SEQRES 27 D 474 SER VAL CYS PHE ILE PHE VAL PHE SER ALA LEU VAL GLU SEQRES 28 D 474 TYR GLY THR LEU HIS TYR PHE VAL SER ASN ARG LYS PRO SEQRES 29 D 474 SER LYS ASP LYS ASP LYS LYS LYS LYS ASN PRO LEU LEU SEQRES 30 D 474 ARG MET PHE SER PHE LYS ALA PRO THR ILE ASP ILE ARG SEQRES 31 D 474 PRO ARG SER ALA THR ILE GLN MET ASN ASN ALA THR HIS SEQRES 32 D 474 LEU GLN GLU ARG ASP GLU GLU TYR GLY TYR GLU CYS LEU SEQRES 33 D 474 ASP GLY LYS ASP CYS ALA SER PHE PHE CYS CYS PHE GLU SEQRES 34 D 474 ASP CYS ARG THR GLY ALA TRP ARG HIS GLY ARG ILE HIS SEQRES 35 D 474 ILE ARG ILE ALA LYS MET ASP SER TYR ALA ARG ILE PHE SEQRES 36 D 474 PHE PRO THR ALA PHE CYS LEU PHE ASN LEU VAL TYR TRP SEQRES 37 D 474 VAL SER TYR LEU TYR LEU SEQRES 1 E 512 MET TRP ARG VAL ARG LYS ARG GLY TYR PHE GLY ILE TRP SEQRES 2 E 512 SER PHE PRO LEU ILE ILE ALA ALA VAL CYS ALA GLN SER SEQRES 3 E 512 VAL ASN ASP PRO SER ASN MET SER LEU VAL LYS GLU THR SEQRES 4 E 512 VAL ASP ARG LEU LEU LYS GLY TYR ASP ILE ARG LEU ARG SEQRES 5 E 512 PRO ASP PHE GLY GLY PRO PRO VAL ALA VAL GLY MET ASN SEQRES 6 E 512 ILE ASP ILE ALA SER ILE ASP MET VAL SER GLU VAL ASN SEQRES 7 E 512 MET ASP TYR THR LEU THR MET TYR PHE GLN GLN ALA TRP SEQRES 8 E 512 ARG ASP LYS ARG LEU SER TYR ASN VAL ILE PRO LEU ASN SEQRES 9 E 512 LEU THR LEU ASP ASN ARG VAL ALA ASP GLN LEU TRP VAL SEQRES 10 E 512 PRO ASP THR TYR PHE LEU ASN ASP LYS LYS SER PHE VAL SEQRES 11 E 512 HIS GLY VAL THR VAL LYS ASN ARG MET ILE ARG LEU HIS SEQRES 12 E 512 PRO ASP GLY THR VAL LEU TYR GLY LEU ARG ILE THR THR SEQRES 13 E 512 THR ALA ALA CYS MET MET ASP LEU ARG ARG TYR PRO LEU SEQRES 14 E 512 ASP GLU GLN ASN CYS THR LEU GLU ILE GLU SER TYR GLY SEQRES 15 E 512 TYR THR THR ASP ASP ILE GLU PHE TYR TRP ARG GLY ASP SEQRES 16 E 512 ASP ASN ALA VAL THR GLY VAL THR LYS ILE GLU LEU PRO SEQRES 17 E 512 GLN PHE SER ILE VAL ASP TYR LYS LEU ILE THR LYS LYS SEQRES 18 E 512 VAL VAL PHE SER THR GLY SER TYR PRO ARG LEU SER LEU SEQRES 19 E 512 SER PHE LYS LEU LYS ARG ASN ILE GLY TYR PHE ILE LEU SEQRES 20 E 512 GLN THR TYR MET PRO SER ILE LEU ILE THR ILE LEU SER SEQRES 21 E 512 TRP VAL SER PHE TRP ILE ASN TYR ASP ALA SER ALA ALA SEQRES 22 E 512 ARG VAL ALA LEU GLY ILE THR THR VAL LEU THR MET THR SEQRES 23 E 512 THR ILE ASN THR HIS LEU ARG GLU THR LEU PRO LYS ILE SEQRES 24 E 512 PRO TYR VAL LYS ALA ILE ASP MET TYR LEU MET GLY CYS SEQRES 25 E 512 PHE VAL PHE VAL PHE MET ALA LEU LEU GLU TYR ALA LEU SEQRES 26 E 512 VAL ASN TYR ILE PHE PHE GLY ARG GLY PRO GLN ARG GLN SEQRES 27 E 512 LYS LYS ALA ALA GLU LYS ALA ALA ASN ALA ASN ASN GLU SEQRES 28 E 512 LYS MET ARG LEU ASP VAL ASN LYS MET PHE TYR LYS ASP SEQRES 29 E 512 ILE LYS GLN ASN GLY THR GLN TYR ARG SER LEU TRP ASP SEQRES 30 E 512 PRO THR GLY ASP LEU SER PRO THR ARG ARG THR THR ASN SEQRES 31 E 512 TYR ASP PHE SER LEU TYR THR MET ASP PRO HIS GLU ASN SEQRES 32 E 512 ILE LEU LEU SER THR LEU GLU ILE LYS ASN GLU MET ALA SEQRES 33 E 512 THR SER GLU ALA VAL MET GLY LEU GLY ASP PRO ARG SER SEQRES 34 E 512 THR MET LEU ALA TYR ASP ALA SER SER ILE GLN TYR ARG SEQRES 35 E 512 LYS ALA GLY LEU PRO ARG HIS SER PHE GLY ARG ASN ALA SEQRES 36 E 512 LEU GLU ARG HIS VAL ALA GLN LYS LYS SER ARG LEU ARG SEQRES 37 E 512 ARG ARG ALA SER GLN LEU LYS ILE THR ILE PRO ASP LEU SEQRES 38 E 512 THR ASP VAL ASN ALA ILE ASP ARG TRP SER ARG ILE PHE SEQRES 39 E 512 PHE PRO VAL VAL PHE SER PHE PHE ASN ILE VAL TYR TRP SEQRES 40 E 512 LEU TYR TYR VAL ASN SEQRES 1 H 223 GLU ILE GLN LEU GLN GLN SER GLY PRO GLU LEU VAL LYS SEQRES 2 H 223 PRO GLY THR SER VAL LYS VAL SER CYS LYS ALA SER GLY SEQRES 3 H 223 TYR SER PHE THR ASP TYR ASN MET TYR TRP VAL LYS GLN SEQRES 4 H 223 SER HIS GLY LYS SER LEU GLU TRP ILE GLY TYR ILE ASP SEQRES 5 H 223 PRO TYR ASN ALA ASP THR THR TYR ASN ARG GLU PHE LYS SEQRES 6 H 223 GLY LYS ALA THR LEU THR VAL ASP LYS SER SER SER THR SEQRES 7 H 223 ALA PHE MET HIS LEU ASN SER LEU THR SER GLU ASP SER SEQRES 8 H 223 ALA VAL TYR TYR CYS ALA ARG LYS ARG ASN ASN PHE TYR SEQRES 9 H 223 PHE ASP TYR TRP GLY GLN GLY THR PRO LEU THR VAL SER SEQRES 10 H 223 SER ALA LYS THR THR PRO PRO SER VAL TYR PRO LEU ALA SEQRES 11 H 223 PRO GLY CYS GLY ASP THR THR GLY SER SER VAL THR LEU SEQRES 12 H 223 GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SER VAL THR SEQRES 13 H 223 VAL THR TRP ASN SER GLY SER LEU SER SER SER VAL HIS SEQRES 14 H 223 THR PHE PRO ALA LEU LEU GLN SER GLY LEU TYR THR MET SEQRES 15 H 223 SER SER SER VAL THR VAL PRO SER SER THR TRP PRO SER SEQRES 16 H 223 GLN THR VAL THR CYS SER VAL ALA HIS PRO ALA SER SER SEQRES 17 H 223 THR THR VAL ASP LYS LYS SER ALA ALA LEU GLU VAL LEU SEQRES 18 H 223 PHE GLN SEQRES 1 J 223 GLU ILE GLN LEU GLN GLN SER GLY PRO GLU LEU VAL LYS SEQRES 2 J 223 PRO GLY THR SER VAL LYS VAL SER CYS LYS ALA SER GLY SEQRES 3 J 223 TYR SER PHE THR ASP TYR ASN MET TYR TRP VAL LYS GLN SEQRES 4 J 223 SER HIS GLY LYS SER LEU GLU TRP ILE GLY TYR ILE ASP SEQRES 5 J 223 PRO TYR ASN ALA ASP THR THR TYR ASN ARG GLU PHE LYS SEQRES 6 J 223 GLY LYS ALA THR LEU THR VAL ASP LYS SER SER SER THR SEQRES 7 J 223 ALA PHE MET HIS LEU ASN SER LEU THR SER GLU ASP SER SEQRES 8 J 223 ALA VAL TYR TYR CYS ALA ARG LYS ARG ASN ASN PHE TYR SEQRES 9 J 223 PHE ASP TYR TRP GLY GLN GLY THR PRO LEU THR VAL SER SEQRES 10 J 223 SER ALA LYS THR THR PRO PRO SER VAL TYR PRO LEU ALA SEQRES 11 J 223 PRO GLY CYS GLY ASP THR THR GLY SER SER VAL THR LEU SEQRES 12 J 223 GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SER VAL THR SEQRES 13 J 223 VAL THR TRP ASN SER GLY SER LEU SER SER SER VAL HIS SEQRES 14 J 223 THR PHE PRO ALA LEU LEU GLN SER GLY LEU TYR THR MET SEQRES 15 J 223 SER SER SER VAL THR VAL PRO SER SER THR TRP PRO SER SEQRES 16 J 223 GLN THR VAL THR CYS SER VAL ALA HIS PRO ALA SER SER SEQRES 17 J 223 THR THR VAL ASP LYS LYS SER ALA ALA LEU GLU VAL LEU SEQRES 18 J 223 PHE GLN SEQRES 1 K 213 TYR ILE VAL MET THR GLN SER PRO LYS SER MET SER MET SEQRES 2 K 213 SER LEU GLY GLU ARG VAL THR LEU SER CYS ARG ALA SER SEQRES 3 K 213 GLU TYR VAL GLY SER TYR VAL SER TRP TYR GLN GLN LYS SEQRES 4 K 213 PRO GLU GLN SER PRO LYS LEU LEU ILE TYR GLY ALA SER SEQRES 5 K 213 ASN ARG TYR THR GLY VAL PRO ASP ARG PHE ALA GLY SER SEQRES 6 K 213 GLY SER ALA THR ASP PHE THR LEU THR ILE THR SER VAL SEQRES 7 K 213 GLN ALA GLU ASP LEU ALA ASP TYR HIS CYS GLY GLN THR SEQRES 8 K 213 TYR ASN TYR PRO THR PHE GLY GLY GLY THR LYS LEU GLU SEQRES 9 K 213 ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE PHE SEQRES 10 K 213 PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA SER SEQRES 11 K 213 VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP ILE SEQRES 12 K 213 ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN ASN SEQRES 13 K 213 GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS ASP SEQRES 14 K 213 SER THR TYR SER MET SER SER THR LEU THR LEU THR LYS SEQRES 15 K 213 ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU ALA SEQRES 16 K 213 THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER PHE SEQRES 17 K 213 ASN ARG ASN GLU CYS SEQRES 1 L 213 TYR ILE VAL MET THR GLN SER PRO LYS SER MET SER MET SEQRES 2 L 213 SER LEU GLY GLU ARG VAL THR LEU SER CYS ARG ALA SER SEQRES 3 L 213 GLU TYR VAL GLY SER TYR VAL SER TRP TYR GLN GLN LYS SEQRES 4 L 213 PRO GLU GLN SER PRO LYS LEU LEU ILE TYR GLY ALA SER SEQRES 5 L 213 ASN ARG TYR THR GLY VAL PRO ASP ARG PHE ALA GLY SER SEQRES 6 L 213 GLY SER ALA THR ASP PHE THR LEU THR ILE THR SER VAL SEQRES 7 L 213 GLN ALA GLU ASP LEU ALA ASP TYR HIS CYS GLY GLN THR SEQRES 8 L 213 TYR ASN TYR PRO THR PHE GLY GLY GLY THR LYS LEU GLU SEQRES 9 L 213 ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE PHE SEQRES 10 L 213 PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA SER SEQRES 11 L 213 VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP ILE SEQRES 12 L 213 ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN ASN SEQRES 13 L 213 GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS ASP SEQRES 14 L 213 SER THR TYR SER MET SER SER THR LEU THR LEU THR LYS SEQRES 15 L 213 ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU ALA SEQRES 16 L 213 THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER PHE SEQRES 17 L 213 ASN ARG ASN GLU CYS HET PIO A 601 91 HET D12 A 602 38 HET D12 A 603 38 HET OCT A 604 26 HET OCT A 605 26 HET OCT A 606 26 HET OCT A 607 26 HET POV A 608 134 HET POV A 609 134 HET ABU B 501 15 HET Y4B B 502 57 HET D12 B 503 38 HET D12 B 504 38 HET D12 B 505 38 HET D12 B 506 38 HET D12 B 507 38 HET D12 B 508 38 HET D12 B 509 38 HET PIO C 601 91 HET OCT C 602 26 HET OCT C 603 26 HET OCT C 604 26 HET D12 C 605 38 HET D12 C 606 38 HET POV C 607 134 HET POV C 608 134 HET NAG D 501 27 HET OCT D 502 26 HET OCT D 503 26 HET OCT D 504 26 HET OCT D 505 26 HET D12 D 506 38 HET D12 D 507 38 HET OCT D 508 26 HET Y4B E 501 57 HET ABU E 502 15 HET D12 E 503 38 HET OCT E 504 26 HET D12 E 505 38 HET OCT E 506 26 HET OCT E 507 26 HET OCT E 508 26 HET D12 E 509 38 HET OCT E 510 26 HET POV E 511 134 HET D12 E 512 38 HET NAG F 1 26 HET NAG F 2 26 HET BMA F 3 19 HET MAN F 4 20 HET MAN F 5 21 HET MAN F 6 20 HET MAN F 7 21 HET NAG G 1 26 HET NAG G 2 26 HET BMA G 3 19 HET MAN G 4 21 HET MAN G 5 21 HET NAG I 1 26 HET NAG I 2 26 HET BMA I 3 19 HET MAN I 4 21 HET MAN I 5 21 HET NAG M 1 26 HET NAG M 2 26 HET BMA M 3 19 HET MAN M 4 21 HET MAN M 5 21 HET NAG N 1 26 HET NAG N 2 26 HET BMA N 3 21 HET NAG O 1 26 HET NAG O 2 26 HET BMA O 3 19 HET MAN O 4 21 HET MAN O 5 21 HET NAG P 1 26 HET NAG P 2 26 HET BMA P 3 19 HET MAN P 4 21 HET MAN P 5 21 HETNAM PIO [(2R)-2-OCTANOYLOXY-3-[OXIDANYL-[(1R,2R,3S,4R,5R,6S)-2, HETNAM 2 PIO 3,6-TRIS(OXIDANYL)-4,5-DIPHOSPHONOOXY-CYCLOHEXYL]OXY- HETNAM 3 PIO PHOSPHORYL]OXY-PROPYL] OCTANOATE HETNAM D12 DODECANE HETNAM OCT N-OCTANE HETNAM POV (2S)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9- HETNAM 2 POV ENOYLOXY]PROPYL 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE HETNAM ABU GAMMA-AMINO-BUTANOIC ACID HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM BMA BETA-D-MANNOSE HETNAM MAN ALPHA-D-MANNOSE HETSYN PIO DIOCTANOYL L-ALPHA-PHOSPHATIDYL-D-MYO-INOSITOL 4,5- HETSYN 2 PIO DIPHOSPHATE HETSYN POV POPC HETSYN ABU GAMMA(AMINO)-BUTYRIC ACID FORMUL 10 PIO 2(C25 H49 O19 P3) FORMUL 11 D12 17(C12 H26) FORMUL 13 OCT 17(C8 H18) FORMUL 17 POV 5(C42 H82 N O8 P) FORMUL 19 ABU 2(C4 H9 N O2) FORMUL 20 Y4B FORMUL 36 NAG 15(C8 H15 N O6) FORMUL 56 BMA 7(C6 H12 O6) FORMUL 56 MAN 14(C6 H12 O6) HELIX 1 AA1 THR A 11 ASP A 23 1 13 HELIX 2 AA2 GLU A 72 LYS A 75 5 4 HELIX 3 AA3 ASN A 86 ILE A 93 1 8 HELIX 4 AA4 GLU A 173 ARG A 176 5 4 HELIX 5 AA5 ILE A 222 ILE A 227 1 6 HELIX 6 AA6 THR A 229 SER A 243 1 15 HELIX 7 AA7 PHE A 244 LEU A 246 5 3 HELIX 8 AA8 SER A 250 ASN A 274 1 25 HELIX 9 AA9 THR A 283 PHE A 309 1 27 HELIX 10 AB1 SER A 389 ASN A 416 1 28 HELIX 11 AB2 SER B 7 LYS B 21 1 15 HELIX 12 AB3 LYS B 70 SER B 73 5 4 HELIX 13 AB4 ASP B 84 LEU B 91 5 8 HELIX 14 AB5 ASP B 139 TYR B 143 5 5 HELIX 15 AB6 GLY B 170 ALA B 174 5 5 HELIX 16 AB7 ILE B 218 THR B 225 1 8 HELIX 17 AB8 THR B 225 TRP B 237 1 13 HELIX 18 AB9 VAL B 238 ILE B 242 5 5 HELIX 19 AC1 ALA B 246 LEU B 272 1 27 HELIX 20 AC2 LYS B 279 GLY B 308 1 30 HELIX 21 AC3 ASP B 459 VAL B 487 1 29 HELIX 22 AC4 ASN C 10 ASP C 23 1 14 HELIX 23 AC5 GLU C 72 LYS C 75 5 4 HELIX 24 AC6 ASN C 86 ILE C 93 1 8 HELIX 25 AC7 GLU C 173 ARG C 176 5 4 HELIX 26 AC8 GLU C 182 SER C 185 5 4 HELIX 27 AC9 ILE C 222 THR C 229 1 8 HELIX 28 AD1 THR C 229 GLN C 241 1 13 HELIX 29 AD2 VAL C 242 LEU C 246 5 5 HELIX 30 AD3 SER C 250 ASN C 274 1 25 HELIX 31 AD4 THR C 283 PHE C 309 1 27 HELIX 32 AD5 SER C 389 ASN C 416 1 28 HELIX 33 AD6 ASP D 26 GLU D 36 1 11 HELIX 34 AD7 ARG D 85 LYS D 88 5 4 HELIX 35 AD8 ASN D 99 ILE D 106 5 8 HELIX 36 AD9 ASP D 192 TRP D 196 5 5 HELIX 37 AE1 MET D 233 THR D 240 1 8 HELIX 38 AE2 THR D 240 ILE D 257 1 18 HELIX 39 AE3 ALA D 261 LEU D 287 1 27 HELIX 40 AE4 THR D 294 TYR D 319 1 26 HELIX 41 AE5 ASP D 411 SER D 432 1 22 HELIX 42 AE6 SER E 7 LYS E 21 1 15 HELIX 43 AE7 LYS E 70 SER E 73 5 4 HELIX 44 AE8 ASP E 84 LEU E 91 5 8 HELIX 45 AE9 ASP E 139 TYR E 143 5 5 HELIX 46 AF1 ASN E 217 THR E 225 1 9 HELIX 47 AF2 THR E 225 TRP E 237 1 13 HELIX 48 AF3 VAL E 238 ILE E 242 5 5 HELIX 49 AF4 ALA E 246 LEU E 272 1 27 HELIX 50 AF5 LYS E 279 GLY E 308 1 30 HELIX 51 AF6 VAL E 460 ASN E 488 1 29 HELIX 52 AF7 THR H 83 SER H 87 5 5 HELIX 53 AF8 SER J 28 TYR J 32 5 5 HELIX 54 AF9 THR J 83 SER J 87 5 5 HELIX 55 AG1 GLN K 79 LEU K 83 5 5 SHEET 1 AA1 9 THR A 38 SER A 48 0 SHEET 2 AA1 9 VAL A 52 SER A 53 0 SHEET 3 AA1 9 GLU A 58 LYS A 70 -1 O GLU A 58 N SER A 53 SHEET 4 AA1 9 VAL A 82 LEU A 85 0 SHEET 5 AA1 9 VAL A 107 ALA A 108 0 SHEET 6 AA1 9 LYS A 116 THR A 121 -1 O LEU A 118 N LEU A 85 SHEET 7 AA1 9 THR A 125 GLU A 137 -1 O THR A 125 N THR A 121 SHEET 8 AA1 9 VAL A 166 TRP A 170 1 O GLU A 169 N THR A 42 SHEET 9 AA1 9 VAL A 178 VAL A 180 1 O VAL A 179 N VAL A 46 SHEET 1 AA2 4 THR A 98 PHE A 100 0 SHEET 2 AA2 4 ALA A 149 SER A 158 -1 O GLY A 157 N PHE A 99 SHEET 3 AA2 4 TYR A 209 ARG A 220 -1 O LEU A 218 N HIS A 150 SHEET 4 AA2 4 TYR A 190 VAL A 202 -1 N THR A 196 O HIS A 215 SHEET 1 AA3 7 VAL B 36 SER B 51 0 SHEET 2 AA3 7 ASP B 56 ARG B 68 -1 O ALA B 66 N GLY B 39 SHEET 3 AA3 7 LEU B 81 LEU B 83 0 SHEET 4 AA3 7 ASP B 101 VAL B 106 0 SHEET 5 AA3 7 ARG B 114 LEU B 118 -1 O LEU B 118 N LEU B 81 SHEET 6 AA3 7 THR B 123 ALA B 135 -1 O LEU B 125 N ARG B 117 SHEET 7 AA3 7 ILE B 164 TRP B 168 1 O GLU B 165 N VAL B 38 SHEET 1 AA4 4 THR B 96 PHE B 98 0 SHEET 2 AA4 4 GLU B 147 SER B 156 -1 O GLU B 155 N TYR B 97 SHEET 3 AA4 4 GLY B 203 ARG B 216 -1 O LEU B 214 N GLN B 148 SHEET 4 AA4 4 PHE B 186 PHE B 200 -1 N SER B 187 O LYS B 215 SHEET 1 AA5 9 THR C 38 SER C 48 0 SHEET 2 AA5 9 VAL C 52 SER C 53 0 SHEET 3 AA5 9 GLU C 58 LYS C 70 -1 O GLU C 58 N SER C 53 SHEET 4 AA5 9 VAL C 82 LEU C 85 0 SHEET 5 AA5 9 VAL C 107 ALA C 108 0 SHEET 6 AA5 9 LYS C 116 THR C 121 -1 O LEU C 118 N LEU C 85 SHEET 7 AA5 9 THR C 125 GLU C 137 -1 O THR C 125 N THR C 121 SHEET 8 AA5 9 VAL C 166 TRP C 170 1 O GLU C 169 N THR C 42 SHEET 9 AA5 9 VAL C 178 VAL C 180 1 O VAL C 179 N VAL C 46 SHEET 1 AA6 4 THR C 98 PHE C 100 0 SHEET 2 AA6 4 ALA C 149 SER C 158 -1 O GLY C 157 N PHE C 99 SHEET 3 AA6 4 TYR C 209 ARG C 220 -1 O LEU C 218 N HIS C 150 SHEET 4 AA6 4 TYR C 190 VAL C 202 -1 N VAL C 202 O TYR C 209 SHEET 1 AA7 8 THR D 51 MET D 57 0 SHEET 2 AA7 8 VAL D 59 ASN D 66 0 SHEET 3 AA7 8 GLU D 71 TYR D 83 -1 O GLU D 71 N ASN D 66 SHEET 4 AA7 8 VAL D 95 LEU D 98 0 SHEET 5 AA7 8 SER D 116 ALA D 121 0 SHEET 6 AA7 8 ARG D 129 TRP D 134 -1 O LEU D 131 N LEU D 98 SHEET 7 AA7 8 ARG D 138 ALA D 149 -1 O LEU D 140 N ARG D 132 SHEET 8 AA7 8 ILE D 179 VAL D 188 1 O VAL D 180 N ILE D 53 SHEET 1 AA8 4 THR D 111 PHE D 113 0 SHEET 2 AA8 4 GLU D 162 SER D 171 -1 O SER D 170 N PHE D 112 SHEET 3 AA8 4 GLY D 218 ARG D 231 -1 O LEU D 229 N HIS D 163 SHEET 4 AA8 4 PHE D 201 THR D 215 -1 N ARG D 207 O TYR D 226 SHEET 1 AA9 8 VAL E 36 SER E 51 0 SHEET 2 AA9 8 ASP E 56 ARG E 68 -1 O ALA E 66 N GLY E 39 SHEET 3 AA9 8 LEU E 81 LEU E 83 0 SHEET 4 AA9 8 ASP E 101 VAL E 106 0 SHEET 5 AA9 8 ARG E 114 LEU E 118 -1 O LEU E 118 N LEU E 81 SHEET 6 AA9 8 THR E 123 ALA E 135 -1 O LEU E 125 N ARG E 117 SHEET 7 AA9 8 ILE E 164 TRP E 168 1 O GLU E 165 N VAL E 38 SHEET 8 AA9 8 VAL E 175 THR E 176 1 O THR E 176 N ILE E 44 SHEET 1 AB1 5 THR E 96 PHE E 98 0 SHEET 2 AB1 5 GLU E 147 CYS E 150 0 SHEET 3 AB1 5 GLU E 153 SER E 156 -1 O GLU E 155 N TYR E 97 SHEET 4 AB1 5 PHE E 186 PHE E 200 0 SHEET 5 AB1 5 GLY E 203 ARG E 216 -1 O TYR E 205 N VAL E 198 SHEET 1 AB2 4 GLN H 5 GLN H 6 0 SHEET 2 AB2 4 VAL H 18 LYS H 23 -1 O LYS H 23 N GLN H 5 SHEET 3 AB2 4 THR H 77 LEU H 82 -1 O LEU H 82 N VAL H 18 SHEET 4 AB2 4 ALA H 67 ASP H 72 -1 N THR H 70 O PHE H 79 SHEET 1 AB3 5 ASP H 56 TYR H 59 0 SHEET 2 AB3 5 GLU H 46 ASP H 52 -1 N ASP H 52 O ASP H 56 SHEET 3 AB3 5 MET H 34 GLN H 39 -1 N LYS H 38 O GLU H 46 SHEET 4 AB3 5 VAL H 89 ARG H 94 -1 O ALA H 93 N TYR H 35 SHEET 5 AB3 5 THR H 107 PRO H 108 -1 O THR H 107 N TYR H 90 SHEET 1 AB4 4 LEU J 4 GLN J 6 0 SHEET 2 AB4 4 VAL J 18 ALA J 24 -1 O LYS J 23 N GLN J 5 SHEET 3 AB4 4 THR J 77 LEU J 82 -1 O ALA J 78 N CYS J 22 SHEET 4 AB4 4 ALA J 67 ASP J 72 -1 N THR J 70 O PHE J 79 SHEET 1 AB5 7 GLU J 10 VAL J 12 0 SHEET 2 AB5 7 MET J 34 GLN J 39 0 SHEET 3 AB5 7 GLU J 46 ILE J 51 -1 O GLU J 46 N LYS J 38 SHEET 4 AB5 7 THR J 57 TYR J 59 -1 O THR J 58 N TYR J 50 SHEET 5 AB5 7 VAL J 89 LYS J 95 -1 O ALA J 93 N TYR J 35 SHEET 6 AB5 7 PHE J 100A TRP J 103 -1 O ASP J 101 N ARG J 94 SHEET 7 AB5 7 THR J 107 VAL J 111 -1 O THR J 107 N TYR J 90 SHEET 1 AB6 4 MET K 4 THR K 5 0 SHEET 2 AB6 4 VAL K 19 ALA K 25 -1 O ARG K 24 N THR K 5 SHEET 3 AB6 4 ASP K 70 ILE K 75 -1 O LEU K 73 N LEU K 21 SHEET 4 AB6 4 PHE K 62 GLY K 66 -1 N SER K 65 O THR K 72 SHEET 1 AB7 7 SER K 10 SER K 12 0 SHEET 2 AB7 7 VAL K 33 GLN K 38 0 SHEET 3 AB7 7 LYS K 45 TYR K 49 -1 O ILE K 48 N TRP K 35 SHEET 4 AB7 7 ASN K 53 ARG K 54 -1 O ASN K 53 N TYR K 49 SHEET 5 AB7 7 ASP K 85 GLN K 90 -1 O HIS K 87 N TYR K 36 SHEET 6 AB7 7 THR K 96 PHE K 97 -1 O THR K 96 N GLN K 90 SHEET 7 AB7 7 THR K 101 GLU K 104 -1 O THR K 101 N TYR K 86 SHEET 1 AB8 4 MET L 4 THR L 5 0 SHEET 2 AB8 4 VAL L 19 ALA L 25 -1 O ARG L 24 N THR L 5 SHEET 3 AB8 4 PHE L 71 ILE L 75 -1 O LEU L 73 N LEU L 21 SHEET 4 AB8 4 PHE L 62 SER L 65 -1 N SER L 65 O THR L 72 SHEET 1 AB9 7 SER L 10 MET L 11 0 SHEET 2 AB9 7 VAL L 33 GLN L 38 0 SHEET 3 AB9 7 LYS L 45 TYR L 49 -1 O ILE L 48 N TRP L 35 SHEET 4 AB9 7 ASN L 53 ARG L 54 -1 O ASN L 53 N TYR L 49 SHEET 5 AB9 7 ASP L 85 GLN L 90 -1 O HIS L 87 N TYR L 36 SHEET 6 AB9 7 THR L 96 PHE L 97 -1 O THR L 96 N GLN L 90 SHEET 7 AB9 7 THR L 101 LEU L 103 -1 O THR L 101 N TYR L 86 SSBOND 1 CYS A 138 CYS A 152 1555 1555 2.03 SSBOND 2 CYS B 136 CYS B 150 1555 1555 2.03 SSBOND 3 CYS C 138 CYS C 152 1555 1555 2.03 SSBOND 4 CYS D 151 CYS D 165 1555 1555 2.04 SSBOND 5 CYS E 136 CYS E 150 1555 1555 2.03 SSBOND 6 CYS H 22 CYS H 92 1555 1555 2.03 SSBOND 7 CYS J 22 CYS J 92 1555 1555 2.03 SSBOND 8 CYS K 23 CYS K 88 1555 1555 2.03 SSBOND 9 CYS L 23 CYS L 88 1555 1555 2.03 LINK ND2 ASN A 110 C1 NAG F 1 1555 1555 1.44 LINK ND2 ASN B 80 C1 NAG G 1 1555 1555 1.44 LINK ND2 ASN B 149 C1 NAG I 1 1555 1555 1.44 LINK ND2 ASN C 110 C1 NAG M 1 1555 1555 1.45 LINK ND2 ASN D 90 C1 NAG D 501 1555 1555 1.45 LINK ND2 ASN D 208 C1 NAG N 1 1555 1555 1.45 LINK ND2 ASN E 80 C1 NAG O 1 1555 1555 1.43 LINK ND2 ASN E 149 C1 NAG P 1 1555 1555 1.43 LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.44 LINK O4 NAG F 2 C1 BMA F 3 1555 1555 1.44 LINK O3 BMA F 3 C1 MAN F 4 1555 1555 1.44 LINK O6 BMA F 3 C1 MAN F 6 1555 1555 1.44 LINK O2 MAN F 4 C1 MAN F 5 1555 1555 1.44 LINK O3 MAN F 6 C1 MAN F 7 1555 1555 1.44 LINK O4 NAG G 1 C1 NAG G 2 1555 1555 1.45 LINK O4 NAG G 2 C1 BMA G 3 1555 1555 1.44 LINK O3 BMA G 3 C1 MAN G 4 1555 1555 1.44 LINK O6 BMA G 3 C1 MAN G 5 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 1.45 LINK O3 BMA I 3 C1 MAN I 4 1555 1555 1.45 LINK O6 BMA I 3 C1 MAN I 5 1555 1555 1.45 LINK O4 NAG M 1 C1 NAG M 2 1555 1555 1.44 LINK O4 NAG M 2 C1 BMA M 3 1555 1555 1.45 LINK O3 BMA M 3 C1 MAN M 4 1555 1555 1.45 LINK O6 BMA M 3 C1 MAN M 5 1555 1555 1.45 LINK O4 NAG N 1 C1 NAG N 2 1555 1555 1.44 LINK O4 NAG N 2 C1 BMA N 3 1555 1555 1.45 LINK O4 NAG O 1 C1 NAG O 2 1555 1555 1.44 LINK O4 NAG O 2 C1 BMA O 3 1555 1555 1.45 LINK O3 BMA O 3 C1 MAN O 4 1555 1555 1.45 LINK O6 BMA O 3 C1 MAN O 5 1555 1555 1.44 LINK O4 NAG P 1 C1 NAG P 2 1555 1555 1.44 LINK O4 NAG P 2 C1 BMA P 3 1555 1555 1.44 LINK O3 BMA P 3 C1 MAN P 4 1555 1555 1.45 LINK O6 BMA P 3 C1 MAN P 5 1555 1555 1.45 CISPEP 1 MET A 111 THR A 112 0 -0.84 CISPEP 2 PHE A 145 PRO A 146 0 1.28 CISPEP 3 VAL B 109 THR B 110 0 -2.45 CISPEP 4 TYR B 143 PRO B 144 0 1.10 CISPEP 5 MET C 111 THR C 112 0 -7.89 CISPEP 6 PHE C 145 PRO C 146 0 2.61 CISPEP 7 ILE D 124 THR D 125 0 -3.27 CISPEP 8 PHE D 158 PRO D 159 0 1.58 CISPEP 9 VAL E 109 THR E 110 0 -1.90 CISPEP 10 TYR E 143 PRO E 144 0 4.72 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000