HEADER VIRAL PROTEIN/IMMUNE SYSTEM 08-FEB-24 8VYF TITLE SARS-COV-2 S NTD (C.37 LAMBDA VARIANT) PLUS S2L20 AND S2X303 FABS, TITLE 2 LOCAL REFINEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPIKE GLYCOPROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: S GLYCOPROTEIN,E2,PEPLOMER PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: LAMBDA SPIKE GLYCOPROTEIN, NTD; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: S2L20 HEAVY CHAIN; COMPND 9 CHAIN: B; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: S2L20 LIGHT CHAIN; COMPND 13 CHAIN: C; COMPND 14 ENGINEERED: YES; COMPND 15 MOL_ID: 4; COMPND 16 MOLECULE: S2X303 HEAVY CHAIN; COMPND 17 CHAIN: H; COMPND 18 ENGINEERED: YES; COMPND 19 MOL_ID: 5; COMPND 20 MOLECULE: S2X303 LIGHT CHAIN; COMPND 21 CHAIN: L; COMPND 22 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS SOURCE 3 2; SOURCE 4 ORGANISM_TAXID: 2697049; SOURCE 5 GENE: S, 2; SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 10 ORGANISM_TAXID: 9606; SOURCE 11 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 12 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 13 MOL_ID: 3; SOURCE 14 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 15 ORGANISM_TAXID: 9606; SOURCE 16 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 17 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 18 MOL_ID: 4; SOURCE 19 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 20 ORGANISM_TAXID: 9606; SOURCE 21 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 22 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 23 MOL_ID: 5; SOURCE 24 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 25 ORGANISM_TAXID: 9606; SOURCE 26 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 27 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS SARS-COV-2, CORONAVIRUS, LAMBDA, S2L20, S2X303, C.37, ANTIBODY, FAB, KEYWDS 2 S PROTEIN, SPIKE, FUSION PROTEIN, STRUCTURAL GENOMICS, SEATTLE KEYWDS 3 STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, SSGCID, VIRAL KEYWDS 4 PROTEIN, VIRAL PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR M.MCCALLUM,D.VEESLER,SEATTLE STRUCTURAL GENOMICS CENTER FOR AUTHOR 2 INFECTIOUS DISEASE (SSGCID) JRNL AUTH C.A.MAGARET,L.LI,A.C.DECAMP,M.ROLLAND,M.JURASKA, JRNL AUTH 2 B.D.WILLIAMSON,J.LUDWIG,C.MOLITOR,D.BENKESER,A.LUEDTKE, JRNL AUTH 3 B.SIMPKINS,F.HENG,Y.SUN,L.N.CARPP,H.BAI,B.L.DEARLOVE, JRNL AUTH 4 E.E.GIORGI,M.JONGENEELEN,B.BRANDENBURG,M.MCCALLUM,J.E.BOWEN, JRNL AUTH 5 D.VEESLER,J.SADOFF,G.E.GRAY,S.ROELS,A.VANDEBOSCH,D.J.STIEH, JRNL AUTH 6 M.LE GARS,J.VINGERHOETS,B.GRINSZTEJN,P.A.GOEPFERT, JRNL AUTH 7 L.P.DE SOUSA,M.S.T.SILVA,M.CASAPIA,M.H.LOSSO,S.J.LITTLE, JRNL AUTH 8 A.GAUR,L.G.BEKKER,N.GARRETT,C.TRUYERS,I.VAN DROMME,E.SWANN, JRNL AUTH 9 M.A.MAROVICH,D.FOLLMANN,K.M.NEUZIL,L.COREY,A.L.GRENINGER, JRNL AUTH10 P.ROYCHOUDHURY,O.HYRIEN,P.B.GILBERT JRNL TITL QUANTIFYING HOW SINGLE DOSE AD26.COV2.S VACCINE EFFICACY JRNL TITL 2 DEPENDS ON SPIKE SEQUENCE FEATURES. JRNL REF NAT COMMUN V. 15 2175 2024 JRNL REFN ESSN 2041-1723 JRNL PMID 38467646 JRNL DOI 10.1038/S41467-024-46536-W REMARK 2 REMARK 2 RESOLUTION. 3.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : NULL REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.200 REMARK 3 NUMBER OF PARTICLES : 95557 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 8VYF 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_1000281321. 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 : SARS-COV-2 S C.37 (LAMBDA REMARK 245 VARIANT) PLUS S309, S2L20, AND REMARK 245 S2X303 FABS. LOCAL REFINEMENT REMARK 245 OF NTD WITH S2L20 AND S2X303 REMARK 245 FABS. REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 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 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 2000.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 30000.00 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) : 63.00 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: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, H, L, D, E, F REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 PHE A 2 REMARK 465 VAL A 3 REMARK 465 PHE A 4 REMARK 465 LEU A 5 REMARK 465 VAL A 6 REMARK 465 LEU A 7 REMARK 465 LEU A 8 REMARK 465 PRO A 9 REMARK 465 LEU A 10 REMARK 465 VAL A 11 REMARK 465 SER A 12 REMARK 465 SER A 13 REMARK 465 THR A 19 REMARK 465 THR A 20 REMARK 465 VAL A 70 REMARK 465 SER A 71 REMARK 465 GLY A 72 REMARK 465 THR A 73 REMARK 465 ASN A 74 REMARK 465 VAL A 75 REMARK 465 ILE A 76 REMARK 465 LYS A 77 REMARK 465 ARG A 78 REMARK 465 MET A 177 REMARK 465 ASP A 178 REMARK 465 LEU A 179 REMARK 465 GLU A 180 REMARK 465 GLY A 181 REMARK 465 LYS A 182 REMARK 465 GLN A 183 REMARK 465 GLY A 184 REMARK 465 ASN A 185 REMARK 465 PHE A 299 REMARK 465 THR A 300 REMARK 465 VAL A 301 REMARK 465 GLU A 302 REMARK 465 LYS A 303 REMARK 465 GLY A 304 REMARK 465 ILE A 305 REMARK 465 TYR A 306 REMARK 465 GLN A 307 REMARK 465 THR A 308 REMARK 465 SER A 309 REMARK 465 ASN A 310 REMARK 465 PHE A 311 REMARK 465 ARG A 312 REMARK 465 VAL A 313 REMARK 465 GLN A 314 REMARK 465 PRO A 315 REMARK 465 THR A 316 REMARK 465 GLU A 317 REMARK 465 SER A 318 REMARK 465 ILE A 319 REMARK 465 VAL A 320 REMARK 465 ARG A 321 REMARK 465 PHE A 322 REMARK 465 PRO A 323 REMARK 465 ASN A 324 REMARK 465 ILE A 325 REMARK 465 THR A 326 REMARK 465 ASN A 327 REMARK 465 LEU A 328 REMARK 465 CYS A 329 REMARK 465 PRO A 330 REMARK 465 PHE A 331 REMARK 465 GLY A 332 REMARK 465 GLU A 333 REMARK 465 VAL A 334 REMARK 465 PHE A 335 REMARK 465 ASN A 336 REMARK 465 ALA A 337 REMARK 465 THR A 338 REMARK 465 ARG A 339 REMARK 465 PHE A 340 REMARK 465 ALA A 341 REMARK 465 SER A 342 REMARK 465 VAL A 343 REMARK 465 TYR A 344 REMARK 465 ALA A 345 REMARK 465 TRP A 346 REMARK 465 ASN A 347 REMARK 465 ARG A 348 REMARK 465 LYS A 349 REMARK 465 ARG A 350 REMARK 465 ILE A 351 REMARK 465 SER A 352 REMARK 465 ASN A 353 REMARK 465 CYS A 354 REMARK 465 VAL A 355 REMARK 465 ALA A 356 REMARK 465 ASP A 357 REMARK 465 TYR A 358 REMARK 465 SER A 359 REMARK 465 VAL A 360 REMARK 465 LEU A 361 REMARK 465 TYR A 362 REMARK 465 ASN A 363 REMARK 465 SER A 364 REMARK 465 ALA A 365 REMARK 465 SER A 366 REMARK 465 PHE A 367 REMARK 465 SER A 368 REMARK 465 THR A 369 REMARK 465 PHE A 370 REMARK 465 LYS A 371 REMARK 465 CYS A 372 REMARK 465 TYR A 373 REMARK 465 GLY A 374 REMARK 465 VAL A 375 REMARK 465 CYS A 376 REMARK 465 PRO A 377 REMARK 465 THR A 378 REMARK 465 LYS A 379 REMARK 465 LEU A 380 REMARK 465 ASN A 381 REMARK 465 ASP A 382 REMARK 465 LEU A 383 REMARK 465 CYS A 384 REMARK 465 PHE A 385 REMARK 465 THR A 386 REMARK 465 ASN A 387 REMARK 465 VAL A 388 REMARK 465 TYR A 389 REMARK 465 ALA A 390 REMARK 465 ASP A 391 REMARK 465 SER A 392 REMARK 465 PHE A 393 REMARK 465 VAL A 394 REMARK 465 ILE A 395 REMARK 465 ARG A 396 REMARK 465 GLY A 397 REMARK 465 ASP A 398 REMARK 465 GLU A 399 REMARK 465 VAL A 400 REMARK 465 ARG A 401 REMARK 465 GLN A 402 REMARK 465 ILE A 403 REMARK 465 ALA A 404 REMARK 465 PRO A 405 REMARK 465 GLY A 406 REMARK 465 GLN A 407 REMARK 465 THR A 408 REMARK 465 GLY A 409 REMARK 465 LYS A 410 REMARK 465 ILE A 411 REMARK 465 ALA A 412 REMARK 465 ASP A 413 REMARK 465 TYR A 414 REMARK 465 ASN A 415 REMARK 465 TYR A 416 REMARK 465 LYS A 417 REMARK 465 LEU A 418 REMARK 465 PRO A 419 REMARK 465 ASP A 420 REMARK 465 ASP A 421 REMARK 465 PHE A 422 REMARK 465 THR A 423 REMARK 465 GLY A 424 REMARK 465 CYS A 425 REMARK 465 VAL A 426 REMARK 465 ILE A 427 REMARK 465 ALA A 428 REMARK 465 TRP A 429 REMARK 465 ASN A 430 REMARK 465 SER A 431 REMARK 465 ASN A 432 REMARK 465 ASN A 433 REMARK 465 LEU A 434 REMARK 465 ASP A 435 REMARK 465 SER A 436 REMARK 465 LYS A 437 REMARK 465 VAL A 438 REMARK 465 GLY A 439 REMARK 465 GLY A 440 REMARK 465 ASN A 441 REMARK 465 TYR A 442 REMARK 465 ASN A 443 REMARK 465 TYR A 444 REMARK 465 GLN A 445 REMARK 465 TYR A 446 REMARK 465 ARG A 447 REMARK 465 LEU A 448 REMARK 465 PHE A 449 REMARK 465 ARG A 450 REMARK 465 LYS A 451 REMARK 465 SER A 452 REMARK 465 ASN A 453 REMARK 465 LEU A 454 REMARK 465 LYS A 455 REMARK 465 PRO A 456 REMARK 465 PHE A 457 REMARK 465 GLU A 458 REMARK 465 ARG A 459 REMARK 465 ASP A 460 REMARK 465 ILE A 461 REMARK 465 SER A 462 REMARK 465 THR A 463 REMARK 465 GLU A 464 REMARK 465 ILE A 465 REMARK 465 TYR A 466 REMARK 465 GLN A 467 REMARK 465 ALA A 468 REMARK 465 GLY A 469 REMARK 465 SER A 470 REMARK 465 THR A 471 REMARK 465 PRO A 472 REMARK 465 CYS A 473 REMARK 465 ASN A 474 REMARK 465 GLY A 475 REMARK 465 VAL A 476 REMARK 465 GLU A 477 REMARK 465 GLY A 478 REMARK 465 PHE A 479 REMARK 465 ASN A 480 REMARK 465 CYS A 481 REMARK 465 TYR A 482 REMARK 465 SER A 483 REMARK 465 PRO A 484 REMARK 465 LEU A 485 REMARK 465 GLN A 486 REMARK 465 SER A 487 REMARK 465 TYR A 488 REMARK 465 GLY A 489 REMARK 465 PHE A 490 REMARK 465 GLN A 491 REMARK 465 PRO A 492 REMARK 465 THR A 493 REMARK 465 ASN A 494 REMARK 465 GLY A 495 REMARK 465 VAL A 496 REMARK 465 GLY A 497 REMARK 465 TYR A 498 REMARK 465 GLN A 499 REMARK 465 PRO A 500 REMARK 465 TYR A 501 REMARK 465 ARG A 502 REMARK 465 VAL A 503 REMARK 465 VAL A 504 REMARK 465 VAL A 505 REMARK 465 LEU A 506 REMARK 465 SER A 507 REMARK 465 PHE A 508 REMARK 465 GLU A 509 REMARK 465 LEU A 510 REMARK 465 LEU A 511 REMARK 465 HIS A 512 REMARK 465 ALA A 513 REMARK 465 PRO A 514 REMARK 465 ALA A 515 REMARK 465 THR A 516 REMARK 465 VAL A 517 REMARK 465 CYS A 518 REMARK 465 GLY A 519 REMARK 465 PRO A 520 REMARK 465 LYS A 521 REMARK 465 LYS A 522 REMARK 465 SER A 523 REMARK 465 THR A 524 REMARK 465 ASN A 525 REMARK 465 LEU A 526 REMARK 465 VAL A 527 REMARK 465 LYS A 528 REMARK 465 ASN A 529 REMARK 465 LYS A 530 REMARK 465 CYS A 531 REMARK 465 VAL A 532 REMARK 465 ASN A 533 REMARK 465 PHE A 534 REMARK 465 ASN A 535 REMARK 465 PHE A 536 REMARK 465 ASN A 537 REMARK 465 GLY A 538 REMARK 465 LEU A 539 REMARK 465 THR A 540 REMARK 465 GLY A 541 REMARK 465 THR A 542 REMARK 465 GLY A 543 REMARK 465 VAL A 544 REMARK 465 LEU A 545 REMARK 465 THR A 546 REMARK 465 GLU A 547 REMARK 465 SER A 548 REMARK 465 ASN A 549 REMARK 465 LYS A 550 REMARK 465 LYS A 551 REMARK 465 PHE A 552 REMARK 465 LEU A 553 REMARK 465 PRO A 554 REMARK 465 PHE A 555 REMARK 465 GLN A 556 REMARK 465 GLN A 557 REMARK 465 PHE A 558 REMARK 465 GLY A 559 REMARK 465 ARG A 560 REMARK 465 ASP A 561 REMARK 465 ILE A 562 REMARK 465 ALA A 563 REMARK 465 ASP A 564 REMARK 465 THR A 565 REMARK 465 THR A 566 REMARK 465 ASP A 567 REMARK 465 ALA A 568 REMARK 465 VAL A 569 REMARK 465 ARG A 570 REMARK 465 ASP A 571 REMARK 465 PRO A 572 REMARK 465 GLN A 573 REMARK 465 THR A 574 REMARK 465 LEU A 575 REMARK 465 GLU A 576 REMARK 465 ILE A 577 REMARK 465 LEU A 578 REMARK 465 ASP A 579 REMARK 465 ILE A 580 REMARK 465 THR A 581 REMARK 465 PRO A 582 REMARK 465 CYS A 583 REMARK 465 SER A 584 REMARK 465 PHE A 585 REMARK 465 GLY A 586 REMARK 465 GLY A 587 REMARK 465 VAL A 588 REMARK 465 SER A 589 REMARK 465 VAL A 590 REMARK 465 ILE A 591 REMARK 465 THR A 592 REMARK 465 PRO A 593 REMARK 465 GLY A 594 REMARK 465 THR A 595 REMARK 465 ASN A 596 REMARK 465 THR A 597 REMARK 465 SER A 598 REMARK 465 ASN A 599 REMARK 465 GLN A 600 REMARK 465 VAL A 601 REMARK 465 ALA A 602 REMARK 465 VAL A 603 REMARK 465 LEU A 604 REMARK 465 TYR A 605 REMARK 465 GLN A 606 REMARK 465 GLY A 607 REMARK 465 VAL A 608 REMARK 465 ASN A 609 REMARK 465 CYS A 610 REMARK 465 THR A 611 REMARK 465 GLU A 612 REMARK 465 VAL A 613 REMARK 465 PRO A 614 REMARK 465 VAL A 615 REMARK 465 ALA A 616 REMARK 465 ILE A 617 REMARK 465 HIS A 618 REMARK 465 ALA A 619 REMARK 465 ASP A 620 REMARK 465 GLN A 621 REMARK 465 LEU A 622 REMARK 465 THR A 623 REMARK 465 PRO A 624 REMARK 465 THR A 625 REMARK 465 TRP A 626 REMARK 465 ARG A 627 REMARK 465 VAL A 628 REMARK 465 TYR A 629 REMARK 465 SER A 630 REMARK 465 THR A 631 REMARK 465 GLY A 632 REMARK 465 SER A 633 REMARK 465 ASN A 634 REMARK 465 VAL A 635 REMARK 465 PHE A 636 REMARK 465 GLN A 637 REMARK 465 THR A 638 REMARK 465 ARG A 639 REMARK 465 ALA A 640 REMARK 465 GLY A 641 REMARK 465 CYS A 642 REMARK 465 LEU A 643 REMARK 465 ILE A 644 REMARK 465 GLY A 645 REMARK 465 ALA A 646 REMARK 465 GLU A 647 REMARK 465 HIS A 648 REMARK 465 VAL A 649 REMARK 465 ASN A 650 REMARK 465 ASN A 651 REMARK 465 SER A 652 REMARK 465 TYR A 653 REMARK 465 GLU A 654 REMARK 465 CYS A 655 REMARK 465 ASP A 656 REMARK 465 ILE A 657 REMARK 465 PRO A 658 REMARK 465 ILE A 659 REMARK 465 GLY A 660 REMARK 465 ALA A 661 REMARK 465 GLY A 662 REMARK 465 ILE A 663 REMARK 465 CYS A 664 REMARK 465 ALA A 665 REMARK 465 SER A 666 REMARK 465 TYR A 667 REMARK 465 GLN A 668 REMARK 465 THR A 669 REMARK 465 GLN A 670 REMARK 465 THR A 671 REMARK 465 ASN A 672 REMARK 465 SER A 673 REMARK 465 PRO A 674 REMARK 465 ARG A 675 REMARK 465 ARG A 676 REMARK 465 ALA A 677 REMARK 465 ARG A 678 REMARK 465 SER A 679 REMARK 465 VAL A 680 REMARK 465 ALA A 681 REMARK 465 SER A 682 REMARK 465 GLN A 683 REMARK 465 SER A 684 REMARK 465 ILE A 685 REMARK 465 ILE A 686 REMARK 465 ALA A 687 REMARK 465 TYR A 688 REMARK 465 THR A 689 REMARK 465 MET A 690 REMARK 465 SER A 691 REMARK 465 LEU A 692 REMARK 465 GLY A 693 REMARK 465 ALA A 694 REMARK 465 GLU A 695 REMARK 465 ASN A 696 REMARK 465 SER A 697 REMARK 465 VAL A 698 REMARK 465 ALA A 699 REMARK 465 TYR A 700 REMARK 465 SER A 701 REMARK 465 ASN A 702 REMARK 465 ASN A 703 REMARK 465 SER A 704 REMARK 465 ILE A 705 REMARK 465 ALA A 706 REMARK 465 ILE A 707 REMARK 465 PRO A 708 REMARK 465 THR A 709 REMARK 465 ASN A 710 REMARK 465 PHE A 711 REMARK 465 THR A 712 REMARK 465 ILE A 713 REMARK 465 SER A 714 REMARK 465 VAL A 715 REMARK 465 THR A 716 REMARK 465 THR A 717 REMARK 465 GLU A 718 REMARK 465 ILE A 719 REMARK 465 LEU A 720 REMARK 465 PRO A 721 REMARK 465 VAL A 722 REMARK 465 SER A 723 REMARK 465 MET A 724 REMARK 465 THR A 725 REMARK 465 LYS A 726 REMARK 465 THR A 727 REMARK 465 SER A 728 REMARK 465 VAL A 729 REMARK 465 ASP A 730 REMARK 465 CYS A 731 REMARK 465 THR A 732 REMARK 465 MET A 733 REMARK 465 TYR A 734 REMARK 465 ILE A 735 REMARK 465 CYS A 736 REMARK 465 GLY A 737 REMARK 465 ASP A 738 REMARK 465 SER A 739 REMARK 465 THR A 740 REMARK 465 GLU A 741 REMARK 465 CYS A 742 REMARK 465 SER A 743 REMARK 465 ASN A 744 REMARK 465 LEU A 745 REMARK 465 LEU A 746 REMARK 465 LEU A 747 REMARK 465 GLN A 748 REMARK 465 TYR A 749 REMARK 465 GLY A 750 REMARK 465 SER A 751 REMARK 465 PHE A 752 REMARK 465 CYS A 753 REMARK 465 THR A 754 REMARK 465 GLN A 755 REMARK 465 LEU A 756 REMARK 465 ASN A 757 REMARK 465 ARG A 758 REMARK 465 ALA A 759 REMARK 465 LEU A 760 REMARK 465 THR A 761 REMARK 465 GLY A 762 REMARK 465 ILE A 763 REMARK 465 ALA A 764 REMARK 465 VAL A 765 REMARK 465 GLU A 766 REMARK 465 GLN A 767 REMARK 465 ASP A 768 REMARK 465 LYS A 769 REMARK 465 ASN A 770 REMARK 465 THR A 771 REMARK 465 GLN A 772 REMARK 465 GLU A 773 REMARK 465 VAL A 774 REMARK 465 PHE A 775 REMARK 465 ALA A 776 REMARK 465 GLN A 777 REMARK 465 VAL A 778 REMARK 465 LYS A 779 REMARK 465 GLN A 780 REMARK 465 ILE A 781 REMARK 465 TYR A 782 REMARK 465 LYS A 783 REMARK 465 THR A 784 REMARK 465 PRO A 785 REMARK 465 PRO A 786 REMARK 465 ILE A 787 REMARK 465 LYS A 788 REMARK 465 ASP A 789 REMARK 465 PHE A 790 REMARK 465 GLY A 791 REMARK 465 GLY A 792 REMARK 465 PHE A 793 REMARK 465 ASN A 794 REMARK 465 PHE A 795 REMARK 465 SER A 796 REMARK 465 GLN A 797 REMARK 465 ILE A 798 REMARK 465 LEU A 799 REMARK 465 PRO A 800 REMARK 465 ASP A 801 REMARK 465 PRO A 802 REMARK 465 SER A 803 REMARK 465 LYS A 804 REMARK 465 PRO A 805 REMARK 465 SER A 806 REMARK 465 LYS A 807 REMARK 465 ARG A 808 REMARK 465 SER A 809 REMARK 465 PRO A 810 REMARK 465 ILE A 811 REMARK 465 GLU A 812 REMARK 465 ASP A 813 REMARK 465 LEU A 814 REMARK 465 LEU A 815 REMARK 465 PHE A 816 REMARK 465 ASN A 817 REMARK 465 LYS A 818 REMARK 465 VAL A 819 REMARK 465 THR A 820 REMARK 465 LEU A 821 REMARK 465 ALA A 822 REMARK 465 ASP A 823 REMARK 465 ALA A 824 REMARK 465 GLY A 825 REMARK 465 PHE A 826 REMARK 465 ILE A 827 REMARK 465 LYS A 828 REMARK 465 GLN A 829 REMARK 465 TYR A 830 REMARK 465 GLY A 831 REMARK 465 ASP A 832 REMARK 465 CYS A 833 REMARK 465 LEU A 834 REMARK 465 GLY A 835 REMARK 465 ASP A 836 REMARK 465 ILE A 837 REMARK 465 ALA A 838 REMARK 465 ALA A 839 REMARK 465 ARG A 840 REMARK 465 ASP A 841 REMARK 465 LEU A 842 REMARK 465 ILE A 843 REMARK 465 CYS A 844 REMARK 465 ALA A 845 REMARK 465 GLN A 846 REMARK 465 LYS A 847 REMARK 465 PHE A 848 REMARK 465 ASN A 849 REMARK 465 GLY A 850 REMARK 465 LEU A 851 REMARK 465 ASN A 852 REMARK 465 VAL A 853 REMARK 465 LEU A 854 REMARK 465 PRO A 855 REMARK 465 PRO A 856 REMARK 465 LEU A 857 REMARK 465 LEU A 858 REMARK 465 THR A 859 REMARK 465 ASP A 860 REMARK 465 GLU A 861 REMARK 465 MET A 862 REMARK 465 ILE A 863 REMARK 465 ALA A 864 REMARK 465 GLN A 865 REMARK 465 TYR A 866 REMARK 465 THR A 867 REMARK 465 SER A 868 REMARK 465 ALA A 869 REMARK 465 LEU A 870 REMARK 465 LEU A 871 REMARK 465 ALA A 872 REMARK 465 GLY A 873 REMARK 465 THR A 874 REMARK 465 ILE A 875 REMARK 465 THR A 876 REMARK 465 SER A 877 REMARK 465 GLY A 878 REMARK 465 TRP A 879 REMARK 465 THR A 880 REMARK 465 PHE A 881 REMARK 465 GLY A 882 REMARK 465 ALA A 883 REMARK 465 GLY A 884 REMARK 465 PRO A 885 REMARK 465 ALA A 886 REMARK 465 LEU A 887 REMARK 465 GLN A 888 REMARK 465 ILE A 889 REMARK 465 PRO A 890 REMARK 465 PHE A 891 REMARK 465 PRO A 892 REMARK 465 MET A 893 REMARK 465 GLN A 894 REMARK 465 MET A 895 REMARK 465 ALA A 896 REMARK 465 TYR A 897 REMARK 465 ARG A 898 REMARK 465 PHE A 899 REMARK 465 ASN A 900 REMARK 465 GLY A 901 REMARK 465 ILE A 902 REMARK 465 GLY A 903 REMARK 465 VAL A 904 REMARK 465 THR A 905 REMARK 465 GLN A 906 REMARK 465 ASN A 907 REMARK 465 VAL A 908 REMARK 465 LEU A 909 REMARK 465 TYR A 910 REMARK 465 GLU A 911 REMARK 465 ASN A 912 REMARK 465 GLN A 913 REMARK 465 LYS A 914 REMARK 465 LEU A 915 REMARK 465 ILE A 916 REMARK 465 ALA A 917 REMARK 465 ASN A 918 REMARK 465 GLN A 919 REMARK 465 PHE A 920 REMARK 465 ASN A 921 REMARK 465 SER A 922 REMARK 465 ALA A 923 REMARK 465 ILE A 924 REMARK 465 GLY A 925 REMARK 465 LYS A 926 REMARK 465 ILE A 927 REMARK 465 GLN A 928 REMARK 465 ASP A 929 REMARK 465 SER A 930 REMARK 465 LEU A 931 REMARK 465 SER A 932 REMARK 465 SER A 933 REMARK 465 THR A 934 REMARK 465 PRO A 935 REMARK 465 SER A 936 REMARK 465 ALA A 937 REMARK 465 LEU A 938 REMARK 465 GLY A 939 REMARK 465 LYS A 940 REMARK 465 LEU A 941 REMARK 465 GLN A 942 REMARK 465 ASP A 943 REMARK 465 VAL A 944 REMARK 465 VAL A 945 REMARK 465 ASN A 946 REMARK 465 GLN A 947 REMARK 465 ASN A 948 REMARK 465 ALA A 949 REMARK 465 GLN A 950 REMARK 465 ALA A 951 REMARK 465 LEU A 952 REMARK 465 ASN A 953 REMARK 465 THR A 954 REMARK 465 LEU A 955 REMARK 465 VAL A 956 REMARK 465 LYS A 957 REMARK 465 GLN A 958 REMARK 465 LEU A 959 REMARK 465 SER A 960 REMARK 465 SER A 961 REMARK 465 ASN A 962 REMARK 465 PHE A 963 REMARK 465 GLY A 964 REMARK 465 ALA A 965 REMARK 465 ILE A 966 REMARK 465 SER A 967 REMARK 465 SER A 968 REMARK 465 VAL A 969 REMARK 465 LEU A 970 REMARK 465 ASN A 971 REMARK 465 ASP A 972 REMARK 465 ILE A 973 REMARK 465 LEU A 974 REMARK 465 SER A 975 REMARK 465 ARG A 976 REMARK 465 LEU A 977 REMARK 465 CYS A 978 REMARK 465 PRO A 979 REMARK 465 PRO A 980 REMARK 465 GLU A 981 REMARK 465 ALA A 982 REMARK 465 GLU A 983 REMARK 465 VAL A 984 REMARK 465 GLN A 985 REMARK 465 ILE A 986 REMARK 465 ASP A 987 REMARK 465 ARG A 988 REMARK 465 LEU A 989 REMARK 465 ILE A 990 REMARK 465 THR A 991 REMARK 465 GLY A 992 REMARK 465 ARG A 993 REMARK 465 LEU A 994 REMARK 465 GLN A 995 REMARK 465 SER A 996 REMARK 465 LEU A 997 REMARK 465 GLN A 998 REMARK 465 THR A 999 REMARK 465 TYR A 1000 REMARK 465 VAL A 1001 REMARK 465 THR A 1002 REMARK 465 GLN A 1003 REMARK 465 GLN A 1004 REMARK 465 LEU A 1005 REMARK 465 ILE A 1006 REMARK 465 ARG A 1007 REMARK 465 ALA A 1008 REMARK 465 ALA A 1009 REMARK 465 GLU A 1010 REMARK 465 ILE A 1011 REMARK 465 ARG A 1012 REMARK 465 ALA A 1013 REMARK 465 SER A 1014 REMARK 465 ALA A 1015 REMARK 465 ASN A 1016 REMARK 465 LEU A 1017 REMARK 465 ALA A 1018 REMARK 465 ALA A 1019 REMARK 465 THR A 1020 REMARK 465 LYS A 1021 REMARK 465 MET A 1022 REMARK 465 SER A 1023 REMARK 465 GLU A 1024 REMARK 465 CYS A 1025 REMARK 465 VAL A 1026 REMARK 465 LEU A 1027 REMARK 465 GLY A 1028 REMARK 465 GLN A 1029 REMARK 465 SER A 1030 REMARK 465 LYS A 1031 REMARK 465 ARG A 1032 REMARK 465 VAL A 1033 REMARK 465 ASP A 1034 REMARK 465 PHE A 1035 REMARK 465 CYS A 1036 REMARK 465 GLY A 1037 REMARK 465 LYS A 1038 REMARK 465 GLY A 1039 REMARK 465 TYR A 1040 REMARK 465 HIS A 1041 REMARK 465 LEU A 1042 REMARK 465 MET A 1043 REMARK 465 SER A 1044 REMARK 465 PHE A 1045 REMARK 465 PRO A 1046 REMARK 465 GLN A 1047 REMARK 465 SER A 1048 REMARK 465 ALA A 1049 REMARK 465 PRO A 1050 REMARK 465 HIS A 1051 REMARK 465 GLY A 1052 REMARK 465 VAL A 1053 REMARK 465 VAL A 1054 REMARK 465 PHE A 1055 REMARK 465 LEU A 1056 REMARK 465 HIS A 1057 REMARK 465 VAL A 1058 REMARK 465 THR A 1059 REMARK 465 TYR A 1060 REMARK 465 VAL A 1061 REMARK 465 PRO A 1062 REMARK 465 ALA A 1063 REMARK 465 GLN A 1064 REMARK 465 GLU A 1065 REMARK 465 LYS A 1066 REMARK 465 ASN A 1067 REMARK 465 PHE A 1068 REMARK 465 THR A 1069 REMARK 465 THR A 1070 REMARK 465 ALA A 1071 REMARK 465 PRO A 1072 REMARK 465 ALA A 1073 REMARK 465 ILE A 1074 REMARK 465 CYS A 1075 REMARK 465 HIS A 1076 REMARK 465 ASP A 1077 REMARK 465 GLY A 1078 REMARK 465 LYS A 1079 REMARK 465 ALA A 1080 REMARK 465 HIS A 1081 REMARK 465 PHE A 1082 REMARK 465 PRO A 1083 REMARK 465 ARG A 1084 REMARK 465 GLU A 1085 REMARK 465 GLY A 1086 REMARK 465 VAL A 1087 REMARK 465 PHE A 1088 REMARK 465 VAL A 1089 REMARK 465 SER A 1090 REMARK 465 ASN A 1091 REMARK 465 GLY A 1092 REMARK 465 THR A 1093 REMARK 465 HIS A 1094 REMARK 465 TRP A 1095 REMARK 465 PHE A 1096 REMARK 465 VAL A 1097 REMARK 465 THR A 1098 REMARK 465 GLN A 1099 REMARK 465 ARG A 1100 REMARK 465 ASN A 1101 REMARK 465 PHE A 1102 REMARK 465 TYR A 1103 REMARK 465 GLU A 1104 REMARK 465 PRO A 1105 REMARK 465 GLN A 1106 REMARK 465 ILE A 1107 REMARK 465 ILE A 1108 REMARK 465 THR A 1109 REMARK 465 THR A 1110 REMARK 465 ASP A 1111 REMARK 465 ASN A 1112 REMARK 465 THR A 1113 REMARK 465 PHE A 1114 REMARK 465 VAL A 1115 REMARK 465 SER A 1116 REMARK 465 GLY A 1117 REMARK 465 ASN A 1118 REMARK 465 CYS A 1119 REMARK 465 ASP A 1120 REMARK 465 VAL A 1121 REMARK 465 VAL A 1122 REMARK 465 ILE A 1123 REMARK 465 GLY A 1124 REMARK 465 ILE A 1125 REMARK 465 VAL A 1126 REMARK 465 ASN A 1127 REMARK 465 ASN A 1128 REMARK 465 THR A 1129 REMARK 465 VAL A 1130 REMARK 465 TYR A 1131 REMARK 465 ASP A 1132 REMARK 465 PRO A 1133 REMARK 465 LEU A 1134 REMARK 465 GLN A 1135 REMARK 465 PRO A 1136 REMARK 465 GLU A 1137 REMARK 465 LEU A 1138 REMARK 465 ASP A 1139 REMARK 465 SER A 1140 REMARK 465 PHE A 1141 REMARK 465 LYS A 1142 REMARK 465 GLU A 1143 REMARK 465 GLU A 1144 REMARK 465 LEU A 1145 REMARK 465 ASP A 1146 REMARK 465 LYS A 1147 REMARK 465 TYR A 1148 REMARK 465 PHE A 1149 REMARK 465 LYS A 1150 REMARK 465 ASN A 1151 REMARK 465 HIS A 1152 REMARK 465 THR A 1153 REMARK 465 SER A 1154 REMARK 465 PRO A 1155 REMARK 465 ASP A 1156 REMARK 465 VAL A 1157 REMARK 465 ASP A 1158 REMARK 465 LEU A 1159 REMARK 465 GLY A 1160 REMARK 465 ASP A 1161 REMARK 465 ILE A 1162 REMARK 465 SER A 1163 REMARK 465 GLY A 1164 REMARK 465 ILE A 1165 REMARK 465 ASN A 1166 REMARK 465 ALA A 1167 REMARK 465 SER A 1168 REMARK 465 VAL A 1169 REMARK 465 VAL A 1170 REMARK 465 ASN A 1171 REMARK 465 ILE A 1172 REMARK 465 GLN A 1173 REMARK 465 LYS A 1174 REMARK 465 GLU A 1175 REMARK 465 ILE A 1176 REMARK 465 ASP A 1177 REMARK 465 ARG A 1178 REMARK 465 LEU A 1179 REMARK 465 ASN A 1180 REMARK 465 GLU A 1181 REMARK 465 VAL A 1182 REMARK 465 ALA A 1183 REMARK 465 LYS A 1184 REMARK 465 ASN A 1185 REMARK 465 LEU A 1186 REMARK 465 ASN A 1187 REMARK 465 GLU A 1188 REMARK 465 SER A 1189 REMARK 465 LEU A 1190 REMARK 465 ILE A 1191 REMARK 465 ASP A 1192 REMARK 465 LEU A 1193 REMARK 465 GLN A 1194 REMARK 465 GLU A 1195 REMARK 465 LEU A 1196 REMARK 465 GLY A 1197 REMARK 465 LYS A 1198 REMARK 465 TYR A 1199 REMARK 465 GLU A 1200 REMARK 465 GLN A 1201 REMARK 465 GLY A 1202 REMARK 465 SER A 1203 REMARK 465 GLY A 1204 REMARK 465 TYR A 1205 REMARK 465 ILE A 1206 REMARK 465 PRO A 1207 REMARK 465 GLU A 1208 REMARK 465 ALA A 1209 REMARK 465 PRO A 1210 REMARK 465 ARG A 1211 REMARK 465 ASP A 1212 REMARK 465 GLY A 1213 REMARK 465 GLN A 1214 REMARK 465 ALA A 1215 REMARK 465 TYR A 1216 REMARK 465 VAL A 1217 REMARK 465 ARG A 1218 REMARK 465 LYS A 1219 REMARK 465 ASP A 1220 REMARK 465 GLY A 1221 REMARK 465 GLU A 1222 REMARK 465 TRP A 1223 REMARK 465 VAL A 1224 REMARK 465 LEU A 1225 REMARK 465 LEU A 1226 REMARK 465 SER A 1227 REMARK 465 THR A 1228 REMARK 465 PHE A 1229 REMARK 465 LEU A 1230 REMARK 465 GLY A 1231 REMARK 465 ARG A 1232 REMARK 465 SER A 1233 REMARK 465 LEU A 1234 REMARK 465 GLU A 1235 REMARK 465 VAL A 1236 REMARK 465 LEU A 1237 REMARK 465 PHE A 1238 REMARK 465 GLN A 1239 REMARK 465 GLY A 1240 REMARK 465 PRO A 1241 REMARK 465 GLY A 1242 REMARK 465 SER A 1243 REMARK 465 GLY A 1244 REMARK 465 GLY A 1245 REMARK 465 LEU A 1246 REMARK 465 ASN A 1247 REMARK 465 ASP A 1248 REMARK 465 ILE A 1249 REMARK 465 PHE A 1250 REMARK 465 GLU A 1251 REMARK 465 ALA A 1252 REMARK 465 GLN A 1253 REMARK 465 LYS A 1254 REMARK 465 ILE A 1255 REMARK 465 GLU A 1256 REMARK 465 TRP A 1257 REMARK 465 HIS A 1258 REMARK 465 GLU A 1259 REMARK 465 GLY A 1260 REMARK 465 SER A 1261 REMARK 465 GLY A 1262 REMARK 465 HIS A 1263 REMARK 465 HIS A 1264 REMARK 465 HIS A 1265 REMARK 465 HIS A 1266 REMARK 465 HIS A 1267 REMARK 465 HIS A 1268 REMARK 465 HIS A 1269 REMARK 465 HIS A 1270 REMARK 465 SER B 122 REMARK 465 VAL C 1 REMARK 465 LYS C 107 REMARK 465 GLN H 1 REMARK 465 ILE H 2 REMARK 465 THR H 3 REMARK 465 LEU H 4 REMARK 465 SER H 124 REMARK 465 SER H 125 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 GLN A 14 CG CD OE1 NE2 REMARK 470 ARG A 21 CG CD NE CZ NH1 NH2 REMARK 470 THR A 22 OG1 CG2 REMARK 470 GLN A 23 CG CD OE1 NE2 REMARK 470 LEU A 24 CG CD1 CD2 REMARK 470 PHE A 79 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LYS A 147 CG CD CE NZ REMARK 470 ASN A 148 CG OD1 ND2 REMARK 470 LYS A 150 CG CD CE NZ REMARK 470 GLU A 154 CG CD OE1 OE2 REMARK 470 PHE A 186 CG CD1 CD2 CE1 CE2 CZ REMARK 470 VAL A 213 CG1 CG2 REMARK 470 ARG A 214 CG CD NE CZ NH1 NH2 REMARK 470 SER A 247 OG REMARK 470 SER A 248 OG REMARK 470 SER A 249 OG REMARK 470 GLU B 1 CG CD OE1 OE2 REMARK 470 LYS B 65 CG CD CE NZ REMARK 470 GLU B 89 CG CD OE1 OE2 REMARK 470 ILE C 2 CG1 CG2 CD1 REMARK 470 TRP C 3 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP C 3 CZ3 CH2 REMARK 470 SER C 7 OG REMARK 470 SER C 9 OG REMARK 470 ASP C 70 CG OD1 OD2 REMARK 470 SER C 77 OG REMARK 470 LYS C 103 CG CD CE NZ REMARK 470 ASP C 105 CG OD1 OD2 REMARK 470 PHE C 106 CG CD1 CD2 CE1 CE2 CZ REMARK 470 LYS H 5 CG CD CE NZ REMARK 470 GLU H 6 CG CD OE1 OE2 REMARK 470 SER H 7 OG REMARK 470 THR H 10 OG1 CG2 REMARK 470 LEU H 11 CG CD1 CD2 REMARK 470 VAL H 12 CG1 CG2 REMARK 470 LYS H 13 CG CD CE NZ REMARK 470 THR H 15 OG1 CG2 REMARK 470 GLN H 16 CG CD OE1 NE2 REMARK 470 THR H 17 OG1 CG2 REMARK 470 LEU H 18 CG CD1 CD2 REMARK 470 THR H 19 OG1 CG2 REMARK 470 LEU H 20 CG CD1 CD2 REMARK 470 THR H 21 OG1 CG2 REMARK 470 LYS H 23 CG CD CE NZ REMARK 470 LEU H 24 CG CD1 CD2 REMARK 470 SER H 25 OG REMARK 470 PHE H 27 CG CD1 CD2 CE1 CE2 CZ REMARK 470 SER H 28 OG REMARK 470 VAL H 29 CG1 CG2 REMARK 470 ASN H 30 CG OD1 ND2 REMARK 470 THR H 31 OG1 CG2 REMARK 470 VAL H 34 CG1 CG2 REMARK 470 VAL H 36 CG1 CG2 REMARK 470 TRP H 38 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP H 38 CZ3 CH2 REMARK 470 ILE H 39 CG1 CG2 CD1 REMARK 470 ARG H 40 CG CD NE CZ NH1 NH2 REMARK 470 GLN H 41 CG CD OE1 NE2 REMARK 470 LYS H 45 CG CD CE NZ REMARK 470 LEU H 47 CG CD1 CD2 REMARK 470 GLU H 48 CG CD OE1 OE2 REMARK 470 TRP H 49 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP H 49 CZ3 CH2 REMARK 470 LEU H 50 CG CD1 CD2 REMARK 470 LEU H 52 CG CD1 CD2 REMARK 470 ILE H 53 CG1 CG2 CD1 REMARK 470 TYR H 54 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 ASN H 56 CG OD1 ND2 REMARK 470 ASP H 57 CG OD1 OD2 REMARK 470 ASP H 58 CG OD1 OD2 REMARK 470 LYS H 59 CG CD CE NZ REMARK 470 LEU H 60 CG CD1 CD2 REMARK 470 TYR H 61 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER H 62 OG REMARK 470 SER H 64 OG REMARK 470 LEU H 65 CG CD1 CD2 REMARK 470 LYS H 66 CG CD CE NZ REMARK 470 SER H 67 OG REMARK 470 ARG H 68 CG CD NE CZ NH1 NH2 REMARK 470 LEU H 69 CG CD1 CD2 REMARK 470 THR H 70 OG1 CG2 REMARK 470 VAL H 71 CG1 CG2 REMARK 470 THR H 72 OG1 CG2 REMARK 470 LYS H 73 CG CD CE NZ REMARK 470 ASP H 74 CG OD1 OD2 REMARK 470 THR H 75 OG1 CG2 REMARK 470 SER H 76 OG REMARK 470 LYS H 77 CG CD CE NZ REMARK 470 ASN H 78 CG OD1 ND2 REMARK 470 GLN H 79 CG CD OE1 NE2 REMARK 470 VAL H 80 CG1 CG2 REMARK 470 VAL H 81 CG1 CG2 REMARK 470 LEU H 82 CG CD1 CD2 REMARK 470 THR H 83 OG1 CG2 REMARK 470 MET H 84 CG SD CE REMARK 470 THR H 85 OG1 CG2 REMARK 470 ASN H 86 CG OD1 ND2 REMARK 470 MET H 87 CG SD CE REMARK 470 ASP H 88 CG OD1 OD2 REMARK 470 VAL H 90 CG1 CG2 REMARK 470 ASP H 91 CG OD1 OD2 REMARK 470 THR H 92 OG1 CG2 REMARK 470 THR H 94 OG1 CG2 REMARK 470 TYR H 95 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TYR H 96 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 HIS H 99 CG ND1 CD2 CE1 NE2 REMARK 470 VAL H 100 CG1 CG2 REMARK 470 LEU H 101 CG CD1 CD2 REMARK 470 VAL H 102 CG1 CG2 REMARK 470 GLU H 106 CG CD OE1 OE2 REMARK 470 VAL H 107 CG1 CG2 REMARK 470 ASP H 110 CG OD1 OD2 REMARK 470 PHE H 112 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASP H 113 CG OD1 OD2 REMARK 470 VAL H 114 CG1 CG2 REMARK 470 TRP H 115 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP H 115 CZ3 CH2 REMARK 470 GLN H 117 CG CD OE1 NE2 REMARK 470 THR H 119 OG1 CG2 REMARK 470 MET H 120 CG SD CE REMARK 470 VAL H 121 CG1 CG2 REMARK 470 THR H 122 OG1 CG2 REMARK 470 VAL H 123 CG1 CG2 REMARK 470 SER L 1 OG REMARK 470 TYR L 2 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLU L 3 CG CD OE1 OE2 REMARK 470 LEU L 4 CG CD1 CD2 REMARK 470 THR L 5 OG1 CG2 REMARK 470 GLN L 6 CG CD OE1 NE2 REMARK 470 SER L 9 OG REMARK 470 VAL L 10 CG1 CG2 REMARK 470 SER L 11 OG REMARK 470 VAL L 12 CG1 CG2 REMARK 470 SER L 13 OG REMARK 470 GLN L 16 CG CD OE1 NE2 REMARK 470 THR L 17 OG1 CG2 REMARK 470 SER L 19 OG REMARK 470 ILE L 20 CG1 CG2 CD1 REMARK 470 THR L 21 OG1 CG2 REMARK 470 SER L 23 OG REMARK 470 ASP L 25 CG OD1 OD2 REMARK 470 LYS L 26 CG CD CE NZ REMARK 470 LEU L 27 CG CD1 CD2 REMARK 470 GLU L 29 CG CD OE1 OE2 REMARK 470 THR L 30 OG1 CG2 REMARK 470 TYR L 31 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 SER L 33 OG REMARK 470 TRP L 34 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP L 34 CZ3 CH2 REMARK 470 TYR L 35 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLN L 36 CG CD OE1 NE2 REMARK 470 GLN L 37 CG CD OE1 NE2 REMARK 470 LYS L 38 CG CD CE NZ REMARK 470 GLN L 41 CG CD OE1 NE2 REMARK 470 SER L 42 OG REMARK 470 ILE L 44 CG1 CG2 CD1 REMARK 470 LEU L 45 CG CD1 CD2 REMARK 470 VAL L 46 CG1 CG2 REMARK 470 ILE L 47 CG1 CG2 CD1 REMARK 470 TYR L 48 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLN L 49 CG CD OE1 NE2 REMARK 470 ASP L 50 CG OD1 OD2 REMARK 470 ASN L 51 CG OD1 ND2 REMARK 470 LYS L 52 CG CD CE NZ REMARK 470 ARG L 53 CG CD NE CZ NH1 NH2 REMARK 470 SER L 55 OG REMARK 470 ILE L 57 CG1 CG2 CD1 REMARK 470 GLU L 59 CG CD OE1 OE2 REMARK 470 ARG L 60 CG CD NE CZ NH1 NH2 REMARK 470 PHE L 61 CG CD1 CD2 CE1 CE2 CZ REMARK 470 SER L 62 OG REMARK 470 SER L 64 OG REMARK 470 ASN L 65 CG OD1 ND2 REMARK 470 SER L 66 OG REMARK 470 GLU L 67 CG CD OE1 OE2 REMARK 470 ASN L 68 CG OD1 ND2 REMARK 470 THR L 69 OG1 CG2 REMARK 470 THR L 71 OG1 CG2 REMARK 470 LEU L 72 CG CD1 CD2 REMARK 470 THR L 73 OG1 CG2 REMARK 470 ILE L 74 CG1 CG2 CD1 REMARK 470 SER L 75 OG REMARK 470 THR L 77 OG1 CG2 REMARK 470 GLN L 78 CG CD OE1 NE2 REMARK 470 THR L 79 OG1 CG2 REMARK 470 MET L 80 CG SD CE REMARK 470 ASP L 81 CG OD1 OD2 REMARK 470 GLU L 82 CG CD OE1 OE2 REMARK 470 ASP L 84 CG OD1 OD2 REMARK 470 TYR L 85 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 TYR L 86 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 GLN L 88 CG CD OE1 NE2 REMARK 470 TRP L 90 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP L 90 CZ3 CH2 REMARK 470 ASP L 91 CG OD1 OD2 REMARK 470 LYS L 92 CG CD CE NZ REMARK 470 THR L 93 OG1 CG2 REMARK 470 ILE L 94 CG1 CG2 CD1 REMARK 470 PHE L 97 CG CD1 CD2 CE1 CE2 CZ REMARK 470 THR L 101 OG1 CG2 REMARK 470 LYS L 102 CG CD CE NZ REMARK 470 LEU L 103 CG CD1 CD2 REMARK 470 THR L 104 OG1 CG2 REMARK 470 VAL L 105 CG1 CG2 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 PHE A 32 -117.43 50.03 REMARK 500 ASN A 87 -125.11 52.21 REMARK 500 THR A 108 -82.57 -117.36 REMARK 500 ASN A 122 -164.61 -129.23 REMARK 500 ASP A 138 79.59 -151.71 REMARK 500 ARG A 214 56.47 -150.72 REMARK 500 ARG C 30 -114.65 46.95 REMARK 500 TYR C 32 71.51 -107.61 REMARK 500 ALA C 51 -55.64 73.69 REMARK 500 LEU H 50 -63.51 -102.05 REMARK 500 ASP H 110 -82.26 -123.87 REMARK 500 ASP L 50 -58.57 73.76 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 8VYE RELATED DB: PDB REMARK 900 RELATED ID: 8VYG RELATED DB: PDB REMARK 900 RELATED ID: EMD-43659 RELATED DB: EMDB REMARK 900 SARS-COV-2 S NTD (C.37 LAMBDA VARIANT) PLUS S2L20 AND S2X303 FABS, REMARK 900 LOCAL REFINEMENT DBREF 8VYF A 1 1201 UNP P0DTC2 SPIKE_SARS2 1 1208 DBREF 8VYF B 1 122 PDB 8VYF 8VYF 1 122 DBREF 8VYF C 1 107 PDB 8VYF 8VYF 1 107 DBREF 8VYF H 1 125 PDB 8VYF 8VYF 1 125 DBREF 8VYF L 1 105 PDB 8VYF 8VYF 1 105 SEQADV 8VYF VAL A 75 UNP P0DTC2 GLY 75 VARIANT SEQADV 8VYF ILE A 76 UNP P0DTC2 THR 76 VARIANT SEQADV 8VYF A UNP P0DTC2 ARG 246 DELETION SEQADV 8VYF A UNP P0DTC2 SER 247 DELETION SEQADV 8VYF A UNP P0DTC2 TYR 248 DELETION SEQADV 8VYF A UNP P0DTC2 LEU 249 DELETION SEQADV 8VYF A UNP P0DTC2 THR 250 DELETION SEQADV 8VYF A UNP P0DTC2 PRO 251 DELETION SEQADV 8VYF A UNP P0DTC2 GLY 252 DELETION SEQADV 8VYF ASN A 246 UNP P0DTC2 ASP 253 VARIANT SEQADV 8VYF CYS A 376 UNP P0DTC2 SER 383 CONFLICT SEQADV 8VYF GLN A 445 UNP P0DTC2 LEU 452 VARIANT SEQADV 8VYF SER A 483 UNP P0DTC2 PHE 490 VARIANT SEQADV 8VYF GLY A 607 UNP P0DTC2 ASP 614 VARIANT SEQADV 8VYF PRO A 810 UNP P0DTC2 PHE 817 CONFLICT SEQADV 8VYF ASN A 852 UNP P0DTC2 THR 859 VARIANT SEQADV 8VYF PRO A 885 UNP P0DTC2 ALA 892 CONFLICT SEQADV 8VYF PRO A 892 UNP P0DTC2 ALA 899 CONFLICT SEQADV 8VYF PRO A 935 UNP P0DTC2 ALA 942 CONFLICT SEQADV 8VYF CYS A 978 UNP P0DTC2 ASP 985 CONFLICT SEQADV 8VYF PRO A 979 UNP P0DTC2 LYS 986 CONFLICT SEQADV 8VYF PRO A 980 UNP P0DTC2 VAL 987 CONFLICT SEQADV 8VYF GLY A 1202 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF SER A 1203 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1204 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF TYR A 1205 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ILE A 1206 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PRO A 1207 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1208 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ALA A 1209 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PRO A 1210 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ARG A 1211 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ASP A 1212 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1213 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLN A 1214 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ALA A 1215 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF TYR A 1216 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF VAL A 1217 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ARG A 1218 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LYS A 1219 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ASP A 1220 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1221 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1222 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF TRP A 1223 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF VAL A 1224 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1225 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1226 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF SER A 1227 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF THR A 1228 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PHE A 1229 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1230 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1231 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ARG A 1232 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF SER A 1233 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1234 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1235 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF VAL A 1236 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1237 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PHE A 1238 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLN A 1239 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1240 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PRO A 1241 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1242 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF SER A 1243 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1244 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1245 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LEU A 1246 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ASN A 1247 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ASP A 1248 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ILE A 1249 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF PHE A 1250 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1251 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ALA A 1252 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLN A 1253 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF LYS A 1254 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF ILE A 1255 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1256 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF TRP A 1257 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1258 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLU A 1259 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1260 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF SER A 1261 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF GLY A 1262 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1263 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1264 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1265 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1266 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1267 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1268 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1269 UNP P0DTC2 EXPRESSION TAG SEQADV 8VYF HIS A 1270 UNP P0DTC2 EXPRESSION TAG SEQRES 1 A 1270 MET PHE VAL PHE LEU VAL LEU LEU PRO LEU VAL SER SER SEQRES 2 A 1270 GLN CYS VAL ASN LEU THR THR ARG THR GLN LEU PRO PRO SEQRES 3 A 1270 ALA TYR THR ASN SER PHE THR ARG GLY VAL TYR TYR PRO SEQRES 4 A 1270 ASP LYS VAL PHE ARG SER SER VAL LEU HIS SER THR GLN SEQRES 5 A 1270 ASP LEU PHE LEU PRO PHE PHE SER ASN VAL THR TRP PHE SEQRES 6 A 1270 HIS ALA ILE HIS VAL SER GLY THR ASN VAL ILE LYS ARG SEQRES 7 A 1270 PHE ASP ASN PRO VAL LEU PRO PHE ASN ASP GLY VAL TYR SEQRES 8 A 1270 PHE ALA SER THR GLU LYS SER ASN ILE ILE ARG GLY TRP SEQRES 9 A 1270 ILE PHE GLY THR THR LEU ASP SER LYS THR GLN SER LEU SEQRES 10 A 1270 LEU ILE VAL ASN ASN ALA THR ASN VAL VAL ILE LYS VAL SEQRES 11 A 1270 CYS GLU PHE GLN PHE CYS ASN ASP PRO PHE LEU GLY VAL SEQRES 12 A 1270 TYR TYR HIS LYS ASN ASN LYS SER TRP MET GLU SER GLU SEQRES 13 A 1270 PHE ARG VAL TYR SER SER ALA ASN ASN CYS THR PHE GLU SEQRES 14 A 1270 TYR VAL SER GLN PRO PHE LEU MET ASP LEU GLU GLY LYS SEQRES 15 A 1270 GLN GLY ASN PHE LYS ASN LEU ARG GLU PHE VAL PHE LYS SEQRES 16 A 1270 ASN ILE ASP GLY TYR PHE LYS ILE TYR SER LYS HIS THR SEQRES 17 A 1270 PRO ILE ASN LEU VAL ARG ASP LEU PRO GLN GLY PHE SER SEQRES 18 A 1270 ALA LEU GLU PRO LEU VAL ASP LEU PRO ILE GLY ILE ASN SEQRES 19 A 1270 ILE THR ARG PHE GLN THR LEU LEU ALA LEU HIS ASN SER SEQRES 20 A 1270 SER SER GLY TRP THR ALA GLY ALA ALA ALA TYR TYR VAL SEQRES 21 A 1270 GLY TYR LEU GLN PRO ARG THR PHE LEU LEU LYS TYR ASN SEQRES 22 A 1270 GLU ASN GLY THR ILE THR ASP ALA VAL ASP CYS ALA LEU SEQRES 23 A 1270 ASP PRO LEU SER GLU THR LYS CYS THR LEU LYS SER PHE SEQRES 24 A 1270 THR VAL GLU LYS GLY ILE TYR GLN THR SER ASN PHE ARG SEQRES 25 A 1270 VAL GLN PRO THR GLU SER ILE VAL ARG PHE PRO ASN ILE SEQRES 26 A 1270 THR ASN LEU CYS PRO PHE GLY GLU VAL PHE ASN ALA THR SEQRES 27 A 1270 ARG PHE ALA SER VAL TYR ALA TRP ASN ARG LYS ARG ILE SEQRES 28 A 1270 SER ASN CYS VAL ALA ASP TYR SER VAL LEU TYR ASN SER SEQRES 29 A 1270 ALA SER PHE SER THR PHE LYS CYS TYR GLY VAL CYS PRO SEQRES 30 A 1270 THR LYS LEU ASN ASP LEU CYS PHE THR ASN VAL TYR ALA SEQRES 31 A 1270 ASP SER PHE VAL ILE ARG GLY ASP GLU VAL ARG GLN ILE SEQRES 32 A 1270 ALA PRO GLY GLN THR GLY LYS ILE ALA ASP TYR ASN TYR SEQRES 33 A 1270 LYS LEU PRO ASP ASP PHE THR GLY CYS VAL ILE ALA TRP SEQRES 34 A 1270 ASN SER ASN ASN LEU ASP SER LYS VAL GLY GLY ASN TYR SEQRES 35 A 1270 ASN TYR GLN TYR ARG LEU PHE ARG LYS SER ASN LEU LYS SEQRES 36 A 1270 PRO PHE GLU ARG ASP ILE SER THR GLU ILE TYR GLN ALA SEQRES 37 A 1270 GLY SER THR PRO CYS ASN GLY VAL GLU GLY PHE ASN CYS SEQRES 38 A 1270 TYR SER PRO LEU GLN SER TYR GLY PHE GLN PRO THR ASN SEQRES 39 A 1270 GLY VAL GLY TYR GLN PRO TYR ARG VAL VAL VAL LEU SER SEQRES 40 A 1270 PHE GLU LEU LEU HIS ALA PRO ALA THR VAL CYS GLY PRO SEQRES 41 A 1270 LYS LYS SER THR ASN LEU VAL LYS ASN LYS CYS VAL ASN SEQRES 42 A 1270 PHE ASN PHE ASN GLY LEU THR GLY THR GLY VAL LEU THR SEQRES 43 A 1270 GLU SER ASN LYS LYS PHE LEU PRO PHE GLN GLN PHE GLY SEQRES 44 A 1270 ARG ASP ILE ALA ASP THR THR ASP ALA VAL ARG ASP PRO SEQRES 45 A 1270 GLN THR LEU GLU ILE LEU ASP ILE THR PRO CYS SER PHE SEQRES 46 A 1270 GLY GLY VAL SER VAL ILE THR PRO GLY THR ASN THR SER SEQRES 47 A 1270 ASN GLN VAL ALA VAL LEU TYR GLN GLY VAL ASN CYS THR SEQRES 48 A 1270 GLU VAL PRO VAL ALA ILE HIS ALA ASP GLN LEU THR PRO SEQRES 49 A 1270 THR TRP ARG VAL TYR SER THR GLY SER ASN VAL PHE GLN SEQRES 50 A 1270 THR ARG ALA GLY CYS LEU ILE GLY ALA GLU HIS VAL ASN SEQRES 51 A 1270 ASN SER TYR GLU CYS ASP ILE PRO ILE GLY ALA GLY ILE SEQRES 52 A 1270 CYS ALA SER TYR GLN THR GLN THR ASN SER PRO ARG ARG SEQRES 53 A 1270 ALA ARG SER VAL ALA SER GLN SER ILE ILE ALA TYR THR SEQRES 54 A 1270 MET SER LEU GLY ALA GLU ASN SER VAL ALA TYR SER ASN SEQRES 55 A 1270 ASN SER ILE ALA ILE PRO THR ASN PHE THR ILE SER VAL SEQRES 56 A 1270 THR THR GLU ILE LEU PRO VAL SER MET THR LYS THR SER SEQRES 57 A 1270 VAL ASP CYS THR MET TYR ILE CYS GLY ASP SER THR GLU SEQRES 58 A 1270 CYS SER ASN LEU LEU LEU GLN TYR GLY SER PHE CYS THR SEQRES 59 A 1270 GLN LEU ASN ARG ALA LEU THR GLY ILE ALA VAL GLU GLN SEQRES 60 A 1270 ASP LYS ASN THR GLN GLU VAL PHE ALA GLN VAL LYS GLN SEQRES 61 A 1270 ILE TYR LYS THR PRO PRO ILE LYS ASP PHE GLY GLY PHE SEQRES 62 A 1270 ASN PHE SER GLN ILE LEU PRO ASP PRO SER LYS PRO SER SEQRES 63 A 1270 LYS ARG SER PRO ILE GLU ASP LEU LEU PHE ASN LYS VAL SEQRES 64 A 1270 THR LEU ALA ASP ALA GLY PHE ILE LYS GLN TYR GLY ASP SEQRES 65 A 1270 CYS LEU GLY ASP ILE ALA ALA ARG ASP LEU ILE CYS ALA SEQRES 66 A 1270 GLN LYS PHE ASN GLY LEU ASN VAL LEU PRO PRO LEU LEU SEQRES 67 A 1270 THR ASP GLU MET ILE ALA GLN TYR THR SER ALA LEU LEU SEQRES 68 A 1270 ALA GLY THR ILE THR SER GLY TRP THR PHE GLY ALA GLY SEQRES 69 A 1270 PRO ALA LEU GLN ILE PRO PHE PRO MET GLN MET ALA TYR SEQRES 70 A 1270 ARG PHE ASN GLY ILE GLY VAL THR GLN ASN VAL LEU TYR SEQRES 71 A 1270 GLU ASN GLN LYS LEU ILE ALA ASN GLN PHE ASN SER ALA SEQRES 72 A 1270 ILE GLY LYS ILE GLN ASP SER LEU SER SER THR PRO SER SEQRES 73 A 1270 ALA LEU GLY LYS LEU GLN ASP VAL VAL ASN GLN ASN ALA SEQRES 74 A 1270 GLN ALA LEU ASN THR LEU VAL LYS GLN LEU SER SER ASN SEQRES 75 A 1270 PHE GLY ALA ILE SER SER VAL LEU ASN ASP ILE LEU SER SEQRES 76 A 1270 ARG LEU CYS PRO PRO GLU ALA GLU VAL GLN ILE ASP ARG SEQRES 77 A 1270 LEU ILE THR GLY ARG LEU GLN SER LEU GLN THR TYR VAL SEQRES 78 A 1270 THR GLN GLN LEU ILE ARG ALA ALA GLU ILE ARG ALA SER SEQRES 79 A 1270 ALA ASN LEU ALA ALA THR LYS MET SER GLU CYS VAL LEU SEQRES 80 A 1270 GLY GLN SER LYS ARG VAL ASP PHE CYS GLY LYS GLY TYR SEQRES 81 A 1270 HIS LEU MET SER PHE PRO GLN SER ALA PRO HIS GLY VAL SEQRES 82 A 1270 VAL PHE LEU HIS VAL THR TYR VAL PRO ALA GLN GLU LYS SEQRES 83 A 1270 ASN PHE THR THR ALA PRO ALA ILE CYS HIS ASP GLY LYS SEQRES 84 A 1270 ALA HIS PHE PRO ARG GLU GLY VAL PHE VAL SER ASN GLY SEQRES 85 A 1270 THR HIS TRP PHE VAL THR GLN ARG ASN PHE TYR GLU PRO SEQRES 86 A 1270 GLN ILE ILE THR THR ASP ASN THR PHE VAL SER GLY ASN SEQRES 87 A 1270 CYS ASP VAL VAL ILE GLY ILE VAL ASN ASN THR VAL TYR SEQRES 88 A 1270 ASP PRO LEU GLN PRO GLU LEU ASP SER PHE LYS GLU GLU SEQRES 89 A 1270 LEU ASP LYS TYR PHE LYS ASN HIS THR SER PRO ASP VAL SEQRES 90 A 1270 ASP LEU GLY ASP ILE SER GLY ILE ASN ALA SER VAL VAL SEQRES 91 A 1270 ASN ILE GLN LYS GLU ILE ASP ARG LEU ASN GLU VAL ALA SEQRES 92 A 1270 LYS ASN LEU ASN GLU SER LEU ILE ASP LEU GLN GLU LEU SEQRES 93 A 1270 GLY LYS TYR GLU GLN GLY SER GLY TYR ILE PRO GLU ALA SEQRES 94 A 1270 PRO ARG ASP GLY GLN ALA TYR VAL ARG LYS ASP GLY GLU SEQRES 95 A 1270 TRP VAL LEU LEU SER THR PHE LEU GLY ARG SER LEU GLU SEQRES 96 A 1270 VAL LEU PHE GLN GLY PRO GLY SER GLY GLY LEU ASN ASP SEQRES 97 A 1270 ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU GLY SER SEQRES 98 A 1270 GLY HIS HIS HIS HIS HIS HIS HIS HIS SEQRES 1 B 122 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY VAL VAL GLN SEQRES 2 B 122 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 B 122 PHE THR PHE ASN SER TYR GLY MET HIS TRP VAL ARG GLN SEQRES 4 B 122 ALA PRO GLY LYS GLY LEU GLU TRP VAL ALA PHE ILE ARG SEQRES 5 B 122 TYR ASP GLY GLY ASN LYS TYR TYR ALA ASP SER VAL LYS SEQRES 6 B 122 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR SEQRES 7 B 122 LEU TYR LEU GLN MET LYS SER LEU ARG ALA GLU ASP THR SEQRES 8 B 122 ALA VAL TYR TYR CYS ALA ASN LEU LYS ASP SER ARG TYR SEQRES 9 B 122 SER GLY SER TYR TYR ASP TYR TRP GLY GLN GLY THR LEU SEQRES 10 B 122 VAL THR VAL SER SER SEQRES 1 C 107 VAL ILE TRP MET THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 C 107 SER VAL GLY ASP ARG VAL THR ILE THR CYS GLN ALA SER SEQRES 3 C 107 GLN ASP ILE ARG PHE TYR LEU ASN TRP TYR GLN GLN LYS SEQRES 4 C 107 PRO GLY LYS ALA PRO LYS LEU LEU ILE SER ASP ALA SER SEQRES 5 C 107 ASN MET GLU THR GLY VAL PRO SER ARG PHE SER GLY SER SEQRES 6 C 107 GLY SER GLY THR ASP PHE THR PHE THR ILE SER SER LEU SEQRES 7 C 107 GLN PRO GLU ASP ILE ALA THR TYR TYR CYS GLN GLN TYR SEQRES 8 C 107 ASP ASN LEU PRO PHE THR PHE GLY PRO GLY THR LYS VAL SEQRES 9 C 107 ASP PHE LYS SEQRES 1 H 125 GLN ILE THR LEU LYS GLU SER GLY PRO THR LEU VAL LYS SEQRES 2 H 125 PRO THR GLN THR LEU THR LEU THR CYS LYS LEU SER GLY SEQRES 3 H 125 PHE SER VAL ASN THR GLY GLY VAL GLY VAL GLY TRP ILE SEQRES 4 H 125 ARG GLN PRO PRO GLY LYS ALA LEU GLU TRP LEU ALA LEU SEQRES 5 H 125 ILE TYR TRP ASN ASP ASP LYS LEU TYR SER PRO SER LEU SEQRES 6 H 125 LYS SER ARG LEU THR VAL THR LYS ASP THR SER LYS ASN SEQRES 7 H 125 GLN VAL VAL LEU THR MET THR ASN MET ASP PRO VAL ASP SEQRES 8 H 125 THR ALA THR TYR TYR CYS ALA HIS VAL LEU VAL TRP PHE SEQRES 9 H 125 GLY GLU VAL LEU PRO ASP ALA PHE ASP VAL TRP GLY GLN SEQRES 10 H 125 GLY THR MET VAL THR VAL SER SER SEQRES 1 L 105 SER TYR GLU LEU THR GLN PRO PRO SER VAL SER VAL SER SEQRES 2 L 105 PRO GLY GLN THR ALA SER ILE THR CYS SER GLY ASP LYS SEQRES 3 L 105 LEU GLY GLU THR TYR ALA SER TRP TYR GLN GLN LYS PRO SEQRES 4 L 105 GLY GLN SER PRO ILE LEU VAL ILE TYR GLN ASP ASN LYS SEQRES 5 L 105 ARG PRO SER GLY ILE PRO GLU ARG PHE SER GLY SER ASN SEQRES 6 L 105 SER GLU ASN THR ALA THR LEU THR ILE SER GLY THR GLN SEQRES 7 L 105 THR MET ASP GLU ALA ASP TYR TYR CYS GLN ALA TRP ASP SEQRES 8 L 105 LYS THR ILE ALA GLY PHE GLY GLY GLY THR LYS LEU THR SEQRES 9 L 105 VAL HET NAG A1301 14 HET NAG A1302 14 HET NAG A1303 14 HET NAG A1304 14 HET NAG A1305 14 HET NAG D 1 14 HET NAG D 2 14 HET BMA D 3 11 HET NAG E 1 14 HET NAG E 2 14 HET NAG F 1 14 HET NAG F 2 14 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM BMA BETA-D-MANNOSE FORMUL 6 NAG 11(C8 H15 N O6) FORMUL 11 BMA C6 H12 O6 HELIX 1 AA1 ASP A 287 LEU A 296 1 10 HELIX 2 AA2 THR B 28 TYR B 32 5 5 HELIX 3 AA3 ARG B 87 THR B 91 5 5 HELIX 4 AA4 LEU H 65 SER H 67 5 3 HELIX 5 AA5 ASP H 88 THR H 92 5 5 HELIX 6 AA6 LYS L 26 THR L 30 5 5 HELIX 7 AA7 GLN L 78 GLU L 82 5 5 SHEET 1 AA1 7 ALA A 27 ASN A 30 0 SHEET 2 AA1 7 ASN A 61 HIS A 66 -1 O TRP A 64 N ALA A 27 SHEET 3 AA1 7 ALA A 257 TYR A 262 -1 O TYR A 258 N PHE A 65 SHEET 4 AA1 7 VAL A 90 THR A 95 -1 N ALA A 93 O TYR A 259 SHEET 5 AA1 7 LYS A 187 ILE A 197 -1 O PHE A 192 N PHE A 92 SHEET 6 AA1 7 TYR A 200 ILE A 210 -1 O THR A 208 N LEU A 189 SHEET 7 AA1 7 GLU A 224 PRO A 230 -1 O LEU A 226 N ILE A 203 SHEET 1 AA2 3 VAL A 47 PHE A 55 0 SHEET 2 AA2 3 GLN A 264 TYR A 272 -1 O LEU A 270 N HIS A 49 SHEET 3 AA2 3 ILE A 278 ASP A 283 -1 O THR A 279 N LYS A 271 SHEET 1 AA3 7 LEU A 84 PRO A 85 0 SHEET 2 AA3 7 ILE A 101 GLY A 107 0 SHEET 3 AA3 7 SER A 116 ASN A 121 -1 O LEU A 117 N PHE A 106 SHEET 4 AA3 7 VAL A 126 TYR A 145 -1 O LYS A 129 N LEU A 118 SHEET 5 AA3 7 TRP A 152 SER A 172 -1 O TYR A 170 N ILE A 128 SHEET 6 AA3 7 ARG A 237 SER A 247 1 O LEU A 244 N LEU A 141 SHEET 7 AA3 7 GLY A 250 THR A 252 -1 O THR A 252 N HIS A 245 SHEET 1 AA4 4 GLN B 3 SER B 7 0 SHEET 2 AA4 4 LEU B 18 SER B 25 -1 O ALA B 23 N VAL B 5 SHEET 3 AA4 4 THR B 78 MET B 83 -1 O LEU B 81 N LEU B 20 SHEET 4 AA4 4 PHE B 68 ASP B 73 -1 N SER B 71 O TYR B 80 SHEET 1 AA5 7 GLY B 10 VAL B 12 0 SHEET 2 AA5 7 MET B 34 GLN B 39 0 SHEET 3 AA5 7 GLU B 46 ILE B 51 -1 O GLU B 46 N ARG B 38 SHEET 4 AA5 7 LYS B 58 TYR B 60 -1 O TYR B 59 N PHE B 50 SHEET 5 AA5 7 ALA B 92 ASN B 98 -1 O TYR B 95 N VAL B 37 SHEET 6 AA5 7 TYR B 111 TRP B 112 -1 O TYR B 111 N ASN B 98 SHEET 7 AA5 7 THR B 116 VAL B 120 -1 O THR B 116 N TYR B 94 SHEET 1 AA6 4 MET C 4 SER C 7 0 SHEET 2 AA6 4 VAL C 19 ALA C 25 -1 O GLN C 24 N THR C 5 SHEET 3 AA6 4 ASP C 70 ILE C 75 -1 O PHE C 71 N CYS C 23 SHEET 4 AA6 4 PHE C 62 SER C 67 -1 N SER C 65 O THR C 72 SHEET 1 AA7 7 SER C 10 SER C 12 0 SHEET 2 AA7 7 LEU C 33 GLN C 38 0 SHEET 3 AA7 7 LYS C 45 SER C 49 -1 O ILE C 48 N TRP C 35 SHEET 4 AA7 7 ASN C 53 MET C 54 -1 O ASN C 53 N SER C 49 SHEET 5 AA7 7 THR C 85 GLN C 90 -1 O GLN C 89 N ASN C 34 SHEET 6 AA7 7 THR C 97 PHE C 98 -1 O THR C 97 N GLN C 90 SHEET 7 AA7 7 THR C 102 ASP C 105 -1 O THR C 102 N TYR C 86 SHEET 1 AA8 4 GLU H 6 SER H 7 0 SHEET 2 AA8 4 LEU H 18 LYS H 23 -1 O THR H 21 N SER H 7 SHEET 3 AA8 4 GLN H 79 MET H 84 -1 O VAL H 80 N CYS H 22 SHEET 4 AA8 4 LEU H 69 ASP H 74 -1 N ASP H 74 O GLN H 79 SHEET 1 AA9 6 GLY H 35 GLN H 41 0 SHEET 2 AA9 6 GLU H 48 TYR H 54 -1 O ALA H 51 N TRP H 38 SHEET 3 AA9 6 LYS H 59 TYR H 61 -1 O LEU H 60 N LEU H 52 SHEET 4 AA9 6 ALA H 93 VAL H 102 -1 O TYR H 96 N ILE H 39 SHEET 5 AA9 6 PRO H 109 TRP H 115 -1 O VAL H 114 N HIS H 99 SHEET 6 AA9 6 THR H 119 VAL H 121 -1 O THR H 119 N TYR H 95 SHEET 1 AB1 5 SER L 9 SER L 11 0 SHEET 2 AB1 5 THR L 101 THR L 104 1 O THR L 104 N VAL L 10 SHEET 3 AB1 5 ASP L 84 GLN L 88 -1 N TYR L 85 O THR L 101 SHEET 4 AB1 5 SER L 33 GLN L 37 -1 N GLN L 37 O ASP L 84 SHEET 5 AB1 5 ILE L 44 ILE L 47 -1 O ILE L 47 N TRP L 34 SHEET 1 AB2 3 ALA L 18 SER L 23 0 SHEET 2 AB2 3 THR L 69 ILE L 74 -1 O LEU L 72 N ILE L 20 SHEET 3 AB2 3 PHE L 61 SER L 66 -1 N SER L 62 O THR L 73 SSBOND 1 CYS A 15 CYS A 136 1555 1555 2.03 SSBOND 2 CYS A 131 CYS A 166 1555 1555 2.04 SSBOND 3 CYS A 284 CYS A 294 1555 1555 2.03 SSBOND 4 CYS B 22 CYS B 96 1555 1555 2.03 SSBOND 5 CYS C 23 CYS C 88 1555 1555 2.03 SSBOND 6 CYS H 22 CYS H 97 1555 1555 2.03 SSBOND 7 CYS L 22 CYS L 87 1555 1555 2.02 LINK ND2 ASN A 17 C1 NAG A1304 1555 1555 1.49 LINK ND2 ASN A 61 C1 NAG F 1 1555 1555 1.49 LINK ND2 ASN A 122 C1 NAG D 1 1555 1555 1.49 LINK ND2 ASN A 149 C1 NAG A1303 1555 1555 1.50 LINK ND2 ASN A 165 C1 NAG A1302 1555 1555 1.49 LINK ND2 ASN A 234 C1 NAG E 1 1555 1555 1.49 LINK ND2 ASN A 246 C1 NAG A1305 1555 1555 1.49 LINK ND2 ASN A 275 C1 NAG A1301 1555 1555 1.50 LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.50 LINK O4 NAG D 2 C1 BMA D 3 1555 1555 1.50 LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.50 LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.50 CISPEP 1 SER C 7 PRO C 8 0 -1.80 CISPEP 2 LEU C 94 PRO C 95 0 -1.60 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000