HEADER VIRAL PROTEIN 29-AUG-24 9DF0 TITLE PDCOV S RBD BOUND TO PD41 FAB (LOCAL REFINEMENT) COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPIKE GLYCOPROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: PD41 FAB VARIABLE HEAVY-CHAIN; COMPND 7 CHAIN: H; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: PD41 FAB VARIABLE LIGHT-CHAIN; COMPND 11 CHAIN: L; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE DELTACORONAVIRUS; SOURCE 3 ORGANISM_TAXID: 1586324; SOURCE 4 VARIANT: SD2018/300; SOURCE 5 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 6 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: EXPI293F; SOURCE 9 MOL_ID: 2; SOURCE 10 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 11 ORGANISM_COMMON: MOUSE; SOURCE 12 ORGANISM_TAXID: 10090; SOURCE 13 STRAIN: ATX; SOURCE 14 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 15 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 17 EXPRESSION_SYSTEM_CELL_LINE: EXPICHO; SOURCE 18 MOL_ID: 3; SOURCE 19 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 20 ORGANISM_COMMON: MOUSE; SOURCE 21 ORGANISM_TAXID: 10090; SOURCE 22 STRAIN: ATX; SOURCE 23 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 24 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; SOURCE 25 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 26 EXPRESSION_SYSTEM_CELL_LINE: EXPICHO KEYWDS CORONAVIRUS, SPIKE, ANTIBODY, FAB, ANTIGEN, PDCOV, PD41, COMPLEX, KEYWDS 2 VIRAL PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR D.ASARNOW,M.REXHEPAJ,SEATTLE STRUCTURAL GENOMICS CENTER FOR AUTHOR 2 INFECTIOUS DISEASE (SSGCID),D.VEESLER REVDAT 1 13-NOV-24 9DF0 0 JRNL AUTH M.REXHEPAJ,D.ASARNOW,L.PERRUZZA,Y.J.PARK,B.GUARINO, JRNL AUTH 2 M.MCCALLUM,K.CULAP,C.SALIBA,G.LEONI,A.BALMELLI, JRNL AUTH 3 C.N.YOSHIYAMA,M.S.DICKINSON,J.QUISPE,J.T.BROWN, JRNL AUTH 4 M.A.TORTORICI,K.R.SPROUSE,A.L.TAYLOR,D.CORTI,T.N.STARR, JRNL AUTH 5 F.BENIGNI,D.VEESLER JRNL TITL ISOLATION AND ESCAPE MAPPING OF BROADLY NEUTRALIZING JRNL TITL 2 ANTIBODIES AGAINST EMERGING DELTA-CORONAVIRUSES. JRNL REF IMMUNITY 2024 JRNL REFN ISSN 1074-7613 JRNL PMID 39488210 JRNL DOI 10.1016/J.IMMUNI.2024.10.001 REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC, CRYOSPARC, UCSF CHIMERAX, REMARK 3 ISOLDE, CRYOSPARC, CRYOSPARC, RELION, REMARK 3 CRYOSPARC, CRYOSPARC, PHENIX, ISOLDE REMARK 3 RECONSTRUCTION SCHEMA : FOURIER SPACE REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : 6BFU REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : FLEXIBLE FIT 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) : 2.800 REMARK 3 NUMBER OF PARTICLES : 438204 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 9DF0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-SEP-24. REMARK 100 THE DEPOSITION ID IS D_1000287153. 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 : PDCOV S RBD COMPLEX WITH PD41 REMARK 245 FAB (LOCAL REFINEMENT) REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : BLOTTING TIME 6 SECONDS, FORCE REMARK 245 -1 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 : 19556 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) : 500.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 1800.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : 2.70 REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 4500.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 105000 REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, H, L, B 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 2 REMARK 465 GLN A 3 REMARK 465 ARG A 4 REMARK 465 ALA A 5 REMARK 465 LEU A 6 REMARK 465 LEU A 7 REMARK 465 ILE A 8 REMARK 465 MET A 9 REMARK 465 THR A 10 REMARK 465 LEU A 11 REMARK 465 LEU A 12 REMARK 465 CYS A 13 REMARK 465 LEU A 14 REMARK 465 VAL A 15 REMARK 465 ARG A 16 REMARK 465 ALA A 17 REMARK 465 LYS A 18 REMARK 465 PHE A 19 REMARK 465 ALA A 20 REMARK 465 ASP A 21 REMARK 465 ASP A 22 REMARK 465 LEU A 23 REMARK 465 LEU A 24 REMARK 465 ASP A 25 REMARK 465 LEU A 26 REMARK 465 LEU A 27 REMARK 465 THR A 28 REMARK 465 PHE A 29 REMARK 465 PRO A 30 REMARK 465 GLY A 31 REMARK 465 ALA A 32 REMARK 465 HIS A 33 REMARK 465 ARG A 34 REMARK 465 PHE A 35 REMARK 465 LEU A 36 REMARK 465 HIS A 37 REMARK 465 LYS A 38 REMARK 465 LEU A 39 REMARK 465 THR A 40 REMARK 465 SER A 41 REMARK 465 ASN A 42 REMARK 465 SER A 43 REMARK 465 SER A 44 REMARK 465 SER A 45 REMARK 465 LEU A 46 REMARK 465 TYR A 47 REMARK 465 SER A 48 REMARK 465 ARG A 49 REMARK 465 ALA A 50 REMARK 465 ASN A 51 REMARK 465 ASN A 52 REMARK 465 PHE A 53 REMARK 465 ASP A 54 REMARK 465 VAL A 55 REMARK 465 GLY A 56 REMARK 465 VAL A 57 REMARK 465 LEU A 58 REMARK 465 PRO A 59 REMARK 465 GLY A 60 REMARK 465 TYR A 61 REMARK 465 PRO A 62 REMARK 465 THR A 63 REMARK 465 LYS A 64 REMARK 465 ASN A 65 REMARK 465 VAL A 66 REMARK 465 ASN A 67 REMARK 465 LEU A 68 REMARK 465 PHE A 69 REMARK 465 SER A 70 REMARK 465 PRO A 71 REMARK 465 LEU A 72 REMARK 465 THR A 73 REMARK 465 ASN A 74 REMARK 465 SER A 75 REMARK 465 THR A 76 REMARK 465 LEU A 77 REMARK 465 PRO A 78 REMARK 465 ILE A 79 REMARK 465 ASN A 80 REMARK 465 GLY A 81 REMARK 465 LEU A 82 REMARK 465 HIS A 83 REMARK 465 ARG A 84 REMARK 465 SER A 85 REMARK 465 TYR A 86 REMARK 465 GLN A 87 REMARK 465 PRO A 88 REMARK 465 LEU A 89 REMARK 465 MET A 90 REMARK 465 LEU A 91 REMARK 465 ASN A 92 REMARK 465 CYS A 93 REMARK 465 LEU A 94 REMARK 465 THR A 95 REMARK 465 LYS A 96 REMARK 465 ILE A 97 REMARK 465 THR A 98 REMARK 465 ASN A 99 REMARK 465 HIS A 100 REMARK 465 THR A 101 REMARK 465 LEU A 102 REMARK 465 SER A 103 REMARK 465 MET A 104 REMARK 465 TYR A 105 REMARK 465 LEU A 106 REMARK 465 LEU A 107 REMARK 465 PRO A 108 REMARK 465 SER A 109 REMARK 465 GLU A 110 REMARK 465 ILE A 111 REMARK 465 GLN A 112 REMARK 465 THR A 113 REMARK 465 TYR A 114 REMARK 465 SER A 115 REMARK 465 CYS A 116 REMARK 465 GLY A 117 REMARK 465 GLY A 118 REMARK 465 ALA A 119 REMARK 465 MET A 120 REMARK 465 VAL A 121 REMARK 465 LYS A 122 REMARK 465 TYR A 123 REMARK 465 GLN A 124 REMARK 465 THR A 125 REMARK 465 HIS A 126 REMARK 465 ASP A 127 REMARK 465 ALA A 128 REMARK 465 VAL A 129 REMARK 465 ARG A 130 REMARK 465 ILE A 131 REMARK 465 ILE A 132 REMARK 465 LEU A 133 REMARK 465 ASP A 134 REMARK 465 LEU A 135 REMARK 465 THR A 136 REMARK 465 VAL A 137 REMARK 465 THR A 138 REMARK 465 ASP A 139 REMARK 465 HIS A 140 REMARK 465 ILE A 141 REMARK 465 SER A 142 REMARK 465 VAL A 143 REMARK 465 GLU A 144 REMARK 465 VAL A 145 REMARK 465 VAL A 146 REMARK 465 GLY A 147 REMARK 465 GLN A 148 REMARK 465 HIS A 149 REMARK 465 GLY A 150 REMARK 465 GLU A 151 REMARK 465 ASN A 152 REMARK 465 TYR A 153 REMARK 465 VAL A 154 REMARK 465 PHE A 155 REMARK 465 VAL A 156 REMARK 465 CYS A 157 REMARK 465 SER A 158 REMARK 465 GLU A 159 REMARK 465 GLN A 160 REMARK 465 PHE A 161 REMARK 465 ASN A 162 REMARK 465 TYR A 163 REMARK 465 THR A 164 REMARK 465 THR A 165 REMARK 465 ALA A 166 REMARK 465 LEU A 167 REMARK 465 HIS A 168 REMARK 465 ASN A 169 REMARK 465 SER A 170 REMARK 465 THR A 171 REMARK 465 PHE A 172 REMARK 465 PHE A 173 REMARK 465 SER A 174 REMARK 465 LEU A 175 REMARK 465 ASN A 176 REMARK 465 SER A 177 REMARK 465 GLU A 178 REMARK 465 LEU A 179 REMARK 465 TYR A 180 REMARK 465 CYS A 181 REMARK 465 PHE A 182 REMARK 465 THR A 183 REMARK 465 ASN A 184 REMARK 465 ASN A 185 REMARK 465 THR A 186 REMARK 465 TYR A 187 REMARK 465 LEU A 188 REMARK 465 GLY A 189 REMARK 465 ILE A 190 REMARK 465 LEU A 191 REMARK 465 PRO A 192 REMARK 465 PRO A 193 REMARK 465 ASP A 194 REMARK 465 LEU A 195 REMARK 465 THR A 196 REMARK 465 ASP A 197 REMARK 465 PHE A 198 REMARK 465 THR A 199 REMARK 465 VAL A 200 REMARK 465 TYR A 201 REMARK 465 ARG A 202 REMARK 465 THR A 203 REMARK 465 GLY A 204 REMARK 465 GLN A 205 REMARK 465 PHE A 206 REMARK 465 TYR A 207 REMARK 465 ALA A 208 REMARK 465 ASN A 209 REMARK 465 GLY A 210 REMARK 465 TYR A 211 REMARK 465 LEU A 212 REMARK 465 LEU A 213 REMARK 465 GLY A 214 REMARK 465 THR A 215 REMARK 465 LEU A 216 REMARK 465 PRO A 217 REMARK 465 ILE A 218 REMARK 465 THR A 219 REMARK 465 VAL A 220 REMARK 465 ASN A 221 REMARK 465 TYR A 222 REMARK 465 VAL A 223 REMARK 465 ARG A 224 REMARK 465 LEU A 225 REMARK 465 TYR A 226 REMARK 465 ARG A 227 REMARK 465 GLY A 228 REMARK 465 HIS A 229 REMARK 465 LEU A 230 REMARK 465 SER A 231 REMARK 465 ALA A 232 REMARK 465 ASN A 233 REMARK 465 SER A 234 REMARK 465 ALA A 235 REMARK 465 HIS A 236 REMARK 465 PHE A 237 REMARK 465 ALA A 238 REMARK 465 LEU A 239 REMARK 465 ALA A 240 REMARK 465 ASN A 241 REMARK 465 LEU A 242 REMARK 465 THR A 243 REMARK 465 ASP A 244 REMARK 465 THR A 245 REMARK 465 LEU A 246 REMARK 465 ILE A 247 REMARK 465 THR A 248 REMARK 465 LEU A 249 REMARK 465 THR A 250 REMARK 465 ASN A 251 REMARK 465 THR A 252 REMARK 465 THR A 253 REMARK 465 ILE A 254 REMARK 465 SER A 255 REMARK 465 GLN A 256 REMARK 465 ILE A 257 REMARK 465 THR A 258 REMARK 465 TYR A 259 REMARK 465 CYS A 260 REMARK 465 ASP A 261 REMARK 465 LYS A 262 REMARK 465 SER A 263 REMARK 465 VAL A 264 REMARK 465 VAL A 265 REMARK 465 ASP A 266 REMARK 465 SER A 267 REMARK 465 ILE A 268 REMARK 465 ALA A 269 REMARK 465 CYS A 270 REMARK 465 GLN A 271 REMARK 465 ARG A 272 REMARK 465 SER A 273 REMARK 465 SER A 274 REMARK 465 HIS A 275 REMARK 465 GLU A 276 REMARK 465 VAL A 277 REMARK 465 GLU A 278 REMARK 465 ASP A 279 REMARK 465 GLY A 280 REMARK 465 PHE A 281 REMARK 465 TYR A 282 REMARK 465 SER A 283 REMARK 465 ASP A 284 REMARK 465 PRO A 285 REMARK 465 LYS A 286 REMARK 465 SER A 287 REMARK 465 ALA A 288 REMARK 465 VAL A 289 REMARK 465 ARG A 290 REMARK 465 ALA A 291 REMARK 465 ARG A 292 REMARK 465 GLN A 293 REMARK 465 ARG A 294 REMARK 465 THR A 295 REMARK 465 ILE A 296 REMARK 465 VAL A 297 REMARK 465 THR A 298 REMARK 465 LEU A 299 REMARK 465 PRO A 300 REMARK 465 LYS A 301 REMARK 465 LEU A 302 REMARK 465 PRO A 303 REMARK 465 GLU A 304 REMARK 465 LEU A 305 REMARK 465 THR A 418 REMARK 465 SER A 419 REMARK 465 VAL A 420 REMARK 465 HIS A 421 REMARK 465 ALA A 422 REMARK 465 ILE A 423 REMARK 465 ASP A 424 REMARK 465 THR A 425 REMARK 465 SER A 426 REMARK 465 SER A 427 REMARK 465 VAL A 428 REMARK 465 ILE A 429 REMARK 465 THR A 430 REMARK 465 ASP A 431 REMARK 465 VAL A 432 REMARK 465 CYS A 433 REMARK 465 THR A 434 REMARK 465 ASP A 435 REMARK 465 TYR A 436 REMARK 465 THR A 437 REMARK 465 ILE A 438 REMARK 465 TYR A 439 REMARK 465 GLY A 440 REMARK 465 VAL A 441 REMARK 465 SER A 442 REMARK 465 GLY A 443 REMARK 465 THR A 444 REMARK 465 GLY A 445 REMARK 465 ILE A 446 REMARK 465 ILE A 447 REMARK 465 LYS A 448 REMARK 465 PRO A 449 REMARK 465 SER A 450 REMARK 465 ASP A 451 REMARK 465 LEU A 452 REMARK 465 LEU A 453 REMARK 465 LEU A 454 REMARK 465 HIS A 455 REMARK 465 ASN A 456 REMARK 465 GLY A 457 REMARK 465 ILE A 458 REMARK 465 ALA A 459 REMARK 465 PHE A 460 REMARK 465 THR A 461 REMARK 465 SER A 462 REMARK 465 PRO A 463 REMARK 465 THR A 464 REMARK 465 GLY A 465 REMARK 465 GLU A 466 REMARK 465 LEU A 467 REMARK 465 TYR A 468 REMARK 465 ALA A 469 REMARK 465 PHE A 470 REMARK 465 LYS A 471 REMARK 465 ASN A 472 REMARK 465 ILE A 473 REMARK 465 THR A 474 REMARK 465 THR A 475 REMARK 465 GLY A 476 REMARK 465 LYS A 477 REMARK 465 THR A 478 REMARK 465 LEU A 479 REMARK 465 GLN A 480 REMARK 465 VAL A 481 REMARK 465 LEU A 482 REMARK 465 PRO A 483 REMARK 465 CYS A 484 REMARK 465 GLU A 485 REMARK 465 THR A 486 REMARK 465 PRO A 487 REMARK 465 SER A 488 REMARK 465 GLN A 489 REMARK 465 LEU A 490 REMARK 465 ILE A 491 REMARK 465 VAL A 492 REMARK 465 ILE A 493 REMARK 465 ASN A 494 REMARK 465 ASN A 495 REMARK 465 THR A 496 REMARK 465 VAL A 497 REMARK 465 VAL A 498 REMARK 465 GLY A 499 REMARK 465 ALA A 500 REMARK 465 ILE A 501 REMARK 465 THR A 502 REMARK 465 SER A 503 REMARK 465 SER A 504 REMARK 465 ASN A 505 REMARK 465 SER A 506 REMARK 465 THR A 507 REMARK 465 GLU A 508 REMARK 465 ASN A 509 REMARK 465 ASN A 510 REMARK 465 ARG A 511 REMARK 465 PHE A 512 REMARK 465 THR A 513 REMARK 465 THR A 514 REMARK 465 THR A 515 REMARK 465 ILE A 516 REMARK 465 VAL A 517 REMARK 465 THR A 518 REMARK 465 PRO A 519 REMARK 465 THR A 520 REMARK 465 PHE A 521 REMARK 465 PHE A 522 REMARK 465 TYR A 523 REMARK 465 SER A 524 REMARK 465 THR A 525 REMARK 465 ASN A 526 REMARK 465 ALA A 527 REMARK 465 THR A 528 REMARK 465 THR A 529 REMARK 465 PHE A 530 REMARK 465 ASN A 531 REMARK 465 CYS A 532 REMARK 465 THR A 533 REMARK 465 LYS A 534 REMARK 465 PRO A 535 REMARK 465 VAL A 536 REMARK 465 LEU A 537 REMARK 465 SER A 538 REMARK 465 TYR A 539 REMARK 465 GLY A 540 REMARK 465 PRO A 541 REMARK 465 ILE A 542 REMARK 465 SER A 543 REMARK 465 VAL A 544 REMARK 465 CYS A 545 REMARK 465 SER A 546 REMARK 465 ASP A 547 REMARK 465 GLY A 548 REMARK 465 ALA A 549 REMARK 465 ILE A 550 REMARK 465 VAL A 551 REMARK 465 GLY A 552 REMARK 465 THR A 553 REMARK 465 SER A 554 REMARK 465 THR A 555 REMARK 465 LEU A 556 REMARK 465 GLN A 557 REMARK 465 ASN A 558 REMARK 465 THR A 559 REMARK 465 ARG A 560 REMARK 465 PRO A 561 REMARK 465 SER A 562 REMARK 465 ILE A 563 REMARK 465 VAL A 564 REMARK 465 SER A 565 REMARK 465 LEU A 566 REMARK 465 TYR A 567 REMARK 465 ASP A 568 REMARK 465 GLY A 569 REMARK 465 GLU A 570 REMARK 465 VAL A 571 REMARK 465 GLU A 572 REMARK 465 ILE A 573 REMARK 465 PRO A 574 REMARK 465 SER A 575 REMARK 465 ALA A 576 REMARK 465 PHE A 577 REMARK 465 SER A 578 REMARK 465 LEU A 579 REMARK 465 SER A 580 REMARK 465 VAL A 581 REMARK 465 GLN A 582 REMARK 465 THR A 583 REMARK 465 GLU A 584 REMARK 465 TYR A 585 REMARK 465 LEU A 586 REMARK 465 GLN A 587 REMARK 465 VAL A 588 REMARK 465 GLN A 589 REMARK 465 ALA A 590 REMARK 465 GLU A 591 REMARK 465 GLN A 592 REMARK 465 VAL A 593 REMARK 465 ILE A 594 REMARK 465 VAL A 595 REMARK 465 ASP A 596 REMARK 465 CYS A 597 REMARK 465 PRO A 598 REMARK 465 GLN A 599 REMARK 465 TYR A 600 REMARK 465 VAL A 601 REMARK 465 CYS A 602 REMARK 465 ASN A 603 REMARK 465 GLY A 604 REMARK 465 ASN A 605 REMARK 465 SER A 606 REMARK 465 ARG A 607 REMARK 465 CYS A 608 REMARK 465 LEU A 609 REMARK 465 GLN A 610 REMARK 465 LEU A 611 REMARK 465 LEU A 612 REMARK 465 ALA A 613 REMARK 465 GLN A 614 REMARK 465 TYR A 615 REMARK 465 THR A 616 REMARK 465 SER A 617 REMARK 465 ALA A 618 REMARK 465 CYS A 619 REMARK 465 SER A 620 REMARK 465 ASN A 621 REMARK 465 ILE A 622 REMARK 465 GLU A 623 REMARK 465 ALA A 624 REMARK 465 ALA A 625 REMARK 465 LEU A 626 REMARK 465 HIS A 627 REMARK 465 SER A 628 REMARK 465 SER A 629 REMARK 465 ALA A 630 REMARK 465 GLN A 631 REMARK 465 LEU A 632 REMARK 465 ASP A 633 REMARK 465 SER A 634 REMARK 465 ARG A 635 REMARK 465 GLU A 636 REMARK 465 ILE A 637 REMARK 465 ILE A 638 REMARK 465 ASN A 639 REMARK 465 MET A 640 REMARK 465 PHE A 641 REMARK 465 GLN A 642 REMARK 465 THR A 643 REMARK 465 SER A 644 REMARK 465 THR A 645 REMARK 465 GLN A 646 REMARK 465 SER A 647 REMARK 465 LEU A 648 REMARK 465 GLN A 649 REMARK 465 LEU A 650 REMARK 465 ALA A 651 REMARK 465 ASN A 652 REMARK 465 ILE A 653 REMARK 465 THR A 654 REMARK 465 ASN A 655 REMARK 465 PHE A 656 REMARK 465 LYS A 657 REMARK 465 GLY A 658 REMARK 465 ASP A 659 REMARK 465 TYR A 660 REMARK 465 ASN A 661 REMARK 465 PHE A 662 REMARK 465 SER A 663 REMARK 465 SER A 664 REMARK 465 ILE A 665 REMARK 465 LEU A 666 REMARK 465 THR A 667 REMARK 465 THR A 668 REMARK 465 ARG A 669 REMARK 465 LEU A 670 REMARK 465 GLY A 671 REMARK 465 GLY A 672 REMARK 465 ARG A 673 REMARK 465 SER A 674 REMARK 465 ALA A 675 REMARK 465 ILE A 676 REMARK 465 GLU A 677 REMARK 465 ASP A 678 REMARK 465 LEU A 679 REMARK 465 LEU A 680 REMARK 465 PHE A 681 REMARK 465 ASN A 682 REMARK 465 LYS A 683 REMARK 465 VAL A 684 REMARK 465 VAL A 685 REMARK 465 THR A 686 REMARK 465 SER A 687 REMARK 465 GLY A 688 REMARK 465 LEU A 689 REMARK 465 GLY A 690 REMARK 465 THR A 691 REMARK 465 VAL A 692 REMARK 465 ASP A 693 REMARK 465 GLN A 694 REMARK 465 ASP A 695 REMARK 465 TYR A 696 REMARK 465 LYS A 697 REMARK 465 ALA A 698 REMARK 465 CYS A 699 REMARK 465 SER A 700 REMARK 465 ARG A 701 REMARK 465 ASP A 702 REMARK 465 MET A 703 REMARK 465 ALA A 704 REMARK 465 ILE A 705 REMARK 465 ALA A 706 REMARK 465 ASP A 707 REMARK 465 LEU A 708 REMARK 465 VAL A 709 REMARK 465 CYS A 710 REMARK 465 SER A 711 REMARK 465 GLN A 712 REMARK 465 TYR A 713 REMARK 465 TYR A 714 REMARK 465 ASN A 715 REMARK 465 GLY A 716 REMARK 465 ILE A 717 REMARK 465 MET A 718 REMARK 465 VAL A 719 REMARK 465 LEU A 720 REMARK 465 PRO A 721 REMARK 465 GLY A 722 REMARK 465 VAL A 723 REMARK 465 VAL A 724 REMARK 465 ASP A 725 REMARK 465 ALA A 726 REMARK 465 GLU A 727 REMARK 465 LYS A 728 REMARK 465 MET A 729 REMARK 465 ALA A 730 REMARK 465 MET A 731 REMARK 465 TYR A 732 REMARK 465 THR A 733 REMARK 465 GLY A 734 REMARK 465 SER A 735 REMARK 465 LEU A 736 REMARK 465 THR A 737 REMARK 465 GLY A 738 REMARK 465 ALA A 739 REMARK 465 MET A 740 REMARK 465 VAL A 741 REMARK 465 PHE A 742 REMARK 465 GLY A 743 REMARK 465 GLY A 744 REMARK 465 LEU A 745 REMARK 465 THR A 746 REMARK 465 ALA A 747 REMARK 465 ALA A 748 REMARK 465 ALA A 749 REMARK 465 ALA A 750 REMARK 465 ILE A 751 REMARK 465 PRO A 752 REMARK 465 PHE A 753 REMARK 465 ALA A 754 REMARK 465 THR A 755 REMARK 465 ALA A 756 REMARK 465 VAL A 757 REMARK 465 GLN A 758 REMARK 465 ALA A 759 REMARK 465 ARG A 760 REMARK 465 LEU A 761 REMARK 465 ASN A 762 REMARK 465 TYR A 763 REMARK 465 VAL A 764 REMARK 465 ALA A 765 REMARK 465 LEU A 766 REMARK 465 GLN A 767 REMARK 465 THR A 768 REMARK 465 ASN A 769 REMARK 465 VAL A 770 REMARK 465 LEU A 771 REMARK 465 GLN A 772 REMARK 465 GLU A 773 REMARK 465 ASN A 774 REMARK 465 GLN A 775 REMARK 465 LYS A 776 REMARK 465 ILE A 777 REMARK 465 LEU A 778 REMARK 465 ALA A 779 REMARK 465 GLU A 780 REMARK 465 SER A 781 REMARK 465 PHE A 782 REMARK 465 ASN A 783 REMARK 465 GLN A 784 REMARK 465 ALA A 785 REMARK 465 VAL A 786 REMARK 465 GLY A 787 REMARK 465 ASN A 788 REMARK 465 ILE A 789 REMARK 465 SER A 790 REMARK 465 LEU A 791 REMARK 465 ALA A 792 REMARK 465 LEU A 793 REMARK 465 SER A 794 REMARK 465 SER A 795 REMARK 465 VAL A 796 REMARK 465 ASN A 797 REMARK 465 ASP A 798 REMARK 465 ALA A 799 REMARK 465 ILE A 800 REMARK 465 GLN A 801 REMARK 465 GLN A 802 REMARK 465 THR A 803 REMARK 465 SER A 804 REMARK 465 GLU A 805 REMARK 465 ALA A 806 REMARK 465 LEU A 807 REMARK 465 ASN A 808 REMARK 465 THR A 809 REMARK 465 VAL A 810 REMARK 465 ALA A 811 REMARK 465 ILE A 812 REMARK 465 ALA A 813 REMARK 465 ILE A 814 REMARK 465 LYS A 815 REMARK 465 LYS A 816 REMARK 465 ILE A 817 REMARK 465 GLN A 818 REMARK 465 THR A 819 REMARK 465 VAL A 820 REMARK 465 VAL A 821 REMARK 465 ASN A 822 REMARK 465 GLN A 823 REMARK 465 GLN A 824 REMARK 465 GLY A 825 REMARK 465 GLU A 826 REMARK 465 ALA A 827 REMARK 465 LEU A 828 REMARK 465 SER A 829 REMARK 465 HIS A 830 REMARK 465 LEU A 831 REMARK 465 THR A 832 REMARK 465 ALA A 833 REMARK 465 GLN A 834 REMARK 465 LEU A 835 REMARK 465 SER A 836 REMARK 465 ASN A 837 REMARK 465 ASN A 838 REMARK 465 PHE A 839 REMARK 465 GLN A 840 REMARK 465 ALA A 841 REMARK 465 ILE A 842 REMARK 465 SER A 843 REMARK 465 THR A 844 REMARK 465 SER A 845 REMARK 465 ILE A 846 REMARK 465 GLN A 847 REMARK 465 ASP A 848 REMARK 465 ILE A 849 REMARK 465 TYR A 850 REMARK 465 ASN A 851 REMARK 465 ARG A 852 REMARK 465 LEU A 853 REMARK 465 GLU A 854 REMARK 465 GLU A 855 REMARK 465 VAL A 856 REMARK 465 GLU A 857 REMARK 465 ALA A 858 REMARK 465 ASN A 859 REMARK 465 GLN A 860 REMARK 465 GLN A 861 REMARK 465 VAL A 862 REMARK 465 ASP A 863 REMARK 465 ARG A 864 REMARK 465 LEU A 865 REMARK 465 ILE A 866 REMARK 465 THR A 867 REMARK 465 GLY A 868 REMARK 465 ARG A 869 REMARK 465 LEU A 870 REMARK 465 ALA A 871 REMARK 465 ALA A 872 REMARK 465 LEU A 873 REMARK 465 ASN A 874 REMARK 465 ALA A 875 REMARK 465 TYR A 876 REMARK 465 VAL A 877 REMARK 465 THR A 878 REMARK 465 GLN A 879 REMARK 465 LEU A 880 REMARK 465 LEU A 881 REMARK 465 ASN A 882 REMARK 465 GLN A 883 REMARK 465 MET A 884 REMARK 465 SER A 885 REMARK 465 GLN A 886 REMARK 465 ILE A 887 REMARK 465 ARG A 888 REMARK 465 GLN A 889 REMARK 465 SER A 890 REMARK 465 ARG A 891 REMARK 465 LEU A 892 REMARK 465 LEU A 893 REMARK 465 ALA A 894 REMARK 465 GLN A 895 REMARK 465 GLN A 896 REMARK 465 LYS A 897 REMARK 465 ILE A 898 REMARK 465 ASN A 899 REMARK 465 GLU A 900 REMARK 465 CYS A 901 REMARK 465 VAL A 902 REMARK 465 LYS A 903 REMARK 465 SER A 904 REMARK 465 GLN A 905 REMARK 465 SER A 906 REMARK 465 SER A 907 REMARK 465 ARG A 908 REMARK 465 TYR A 909 REMARK 465 GLY A 910 REMARK 465 PHE A 911 REMARK 465 CYS A 912 REMARK 465 GLY A 913 REMARK 465 ASN A 914 REMARK 465 GLY A 915 REMARK 465 THR A 916 REMARK 465 HIS A 917 REMARK 465 ILE A 918 REMARK 465 PHE A 919 REMARK 465 SER A 920 REMARK 465 LEU A 921 REMARK 465 THR A 922 REMARK 465 GLN A 923 REMARK 465 THR A 924 REMARK 465 ALA A 925 REMARK 465 PRO A 926 REMARK 465 ASN A 927 REMARK 465 GLY A 928 REMARK 465 ILE A 929 REMARK 465 PHE A 930 REMARK 465 PHE A 931 REMARK 465 MET A 932 REMARK 465 HIS A 933 REMARK 465 ALA A 934 REMARK 465 VAL A 935 REMARK 465 LEU A 936 REMARK 465 VAL A 937 REMARK 465 PRO A 938 REMARK 465 ASN A 939 REMARK 465 LYS A 940 REMARK 465 PHE A 941 REMARK 465 THR A 942 REMARK 465 ARG A 943 REMARK 465 VAL A 944 REMARK 465 ASN A 945 REMARK 465 ALA A 946 REMARK 465 SER A 947 REMARK 465 ALA A 948 REMARK 465 GLY A 949 REMARK 465 ILE A 950 REMARK 465 CYS A 951 REMARK 465 VAL A 952 REMARK 465 ASP A 953 REMARK 465 ASN A 954 REMARK 465 THR A 955 REMARK 465 ARG A 956 REMARK 465 GLY A 957 REMARK 465 TYR A 958 REMARK 465 SER A 959 REMARK 465 LEU A 960 REMARK 465 GLN A 961 REMARK 465 PRO A 962 REMARK 465 GLN A 963 REMARK 465 LEU A 964 REMARK 465 ILE A 965 REMARK 465 LEU A 966 REMARK 465 TYR A 967 REMARK 465 GLN A 968 REMARK 465 PHE A 969 REMARK 465 ASN A 970 REMARK 465 ASN A 971 REMARK 465 SER A 972 REMARK 465 TRP A 973 REMARK 465 ARG A 974 REMARK 465 VAL A 975 REMARK 465 THR A 976 REMARK 465 PRO A 977 REMARK 465 ARG A 978 REMARK 465 ASN A 979 REMARK 465 MET A 980 REMARK 465 TYR A 981 REMARK 465 GLU A 982 REMARK 465 PRO A 983 REMARK 465 ARG A 984 REMARK 465 LEU A 985 REMARK 465 PRO A 986 REMARK 465 ARG A 987 REMARK 465 GLN A 988 REMARK 465 ALA A 989 REMARK 465 ASP A 990 REMARK 465 PHE A 991 REMARK 465 ILE A 992 REMARK 465 GLN A 993 REMARK 465 LEU A 994 REMARK 465 THR A 995 REMARK 465 ASP A 996 REMARK 465 CYS A 997 REMARK 465 SER A 998 REMARK 465 VAL A 999 REMARK 465 THR A 1000 REMARK 465 PHE A 1001 REMARK 465 TYR A 1002 REMARK 465 ASN A 1003 REMARK 465 THR A 1004 REMARK 465 THR A 1005 REMARK 465 ALA A 1006 REMARK 465 ALA A 1007 REMARK 465 ASN A 1008 REMARK 465 LEU A 1009 REMARK 465 PRO A 1010 REMARK 465 ASN A 1011 REMARK 465 ILE A 1012 REMARK 465 ILE A 1013 REMARK 465 PRO A 1014 REMARK 465 ASP A 1015 REMARK 465 ILE A 1016 REMARK 465 ILE A 1017 REMARK 465 ASP A 1018 REMARK 465 VAL A 1019 REMARK 465 ASN A 1020 REMARK 465 GLN A 1021 REMARK 465 THR A 1022 REMARK 465 VAL A 1023 REMARK 465 SER A 1024 REMARK 465 ASP A 1025 REMARK 465 ILE A 1026 REMARK 465 ILE A 1027 REMARK 465 ASP A 1028 REMARK 465 ASN A 1029 REMARK 465 LEU A 1030 REMARK 465 PRO A 1031 REMARK 465 THR A 1032 REMARK 465 ALA A 1033 REMARK 465 THR A 1034 REMARK 465 PRO A 1035 REMARK 465 PRO A 1036 REMARK 465 GLN A 1037 REMARK 465 TRP A 1038 REMARK 465 ASP A 1039 REMARK 465 VAL A 1040 REMARK 465 GLY A 1041 REMARK 465 ILE A 1042 REMARK 465 TYR A 1043 REMARK 465 ASN A 1044 REMARK 465 ASN A 1045 REMARK 465 THR A 1046 REMARK 465 ILE A 1047 REMARK 465 LEU A 1048 REMARK 465 ASN A 1049 REMARK 465 LEU A 1050 REMARK 465 THR A 1051 REMARK 465 VAL A 1052 REMARK 465 GLU A 1053 REMARK 465 ILE A 1054 REMARK 465 ASN A 1055 REMARK 465 ASP A 1056 REMARK 465 LEU A 1057 REMARK 465 GLN A 1058 REMARK 465 GLU A 1059 REMARK 465 ARG A 1060 REMARK 465 SER A 1061 REMARK 465 LYS A 1062 REMARK 465 ASN A 1063 REMARK 465 LEU A 1064 REMARK 465 SER A 1065 REMARK 465 GLN A 1066 REMARK 465 ILE A 1067 REMARK 465 ALA A 1068 REMARK 465 ASP A 1069 REMARK 465 ARG A 1070 REMARK 465 LEU A 1071 REMARK 465 GLN A 1072 REMARK 465 ASN A 1073 REMARK 465 TYR A 1074 REMARK 465 ILE A 1075 REMARK 465 ASP A 1076 REMARK 465 ASN A 1077 REMARK 465 LEU A 1078 REMARK 465 ASN A 1079 REMARK 465 ASN A 1080 REMARK 465 THR A 1081 REMARK 465 LEU A 1082 REMARK 465 VAL A 1083 REMARK 465 ASP A 1084 REMARK 465 LEU A 1085 REMARK 465 GLU A 1086 REMARK 465 TRP A 1087 REMARK 465 LEU A 1088 REMARK 465 ASN A 1089 REMARK 465 ARG A 1090 REMARK 465 VAL A 1091 REMARK 465 GLU A 1092 REMARK 465 THR A 1093 REMARK 465 TYR A 1094 REMARK 465 LEU A 1095 REMARK 465 LYS A 1096 REMARK 465 TRP A 1097 REMARK 465 PRO A 1098 REMARK 465 GLY A 1099 REMARK 465 SER A 1100 REMARK 465 GLY A 1101 REMARK 465 TYR A 1102 REMARK 465 ILE A 1103 REMARK 465 PRO A 1104 REMARK 465 GLU A 1105 REMARK 465 ALA A 1106 REMARK 465 PRO A 1107 REMARK 465 ARG A 1108 REMARK 465 ASP A 1109 REMARK 465 GLY A 1110 REMARK 465 GLN A 1111 REMARK 465 ALA A 1112 REMARK 465 TYR A 1113 REMARK 465 VAL A 1114 REMARK 465 ARG A 1115 REMARK 465 LYS A 1116 REMARK 465 ASP A 1117 REMARK 465 GLY A 1118 REMARK 465 GLU A 1119 REMARK 465 TRP A 1120 REMARK 465 VAL A 1121 REMARK 465 LEU A 1122 REMARK 465 LEU A 1123 REMARK 465 SER A 1124 REMARK 465 THR A 1125 REMARK 465 PHE A 1126 REMARK 465 LEU A 1127 REMARK 465 GLY A 1128 REMARK 465 ARG A 1129 REMARK 465 SER A 1130 REMARK 465 LEU A 1131 REMARK 465 GLU A 1132 REMARK 465 VAL A 1133 REMARK 465 LEU A 1134 REMARK 465 PHE A 1135 REMARK 465 GLN A 1136 REMARK 465 GLY A 1137 REMARK 465 PRO A 1138 REMARK 465 GLY A 1139 REMARK 465 SER A 1140 REMARK 465 GLY A 1141 REMARK 465 GLY A 1142 REMARK 465 LEU A 1143 REMARK 465 ASN A 1144 REMARK 465 ASP A 1145 REMARK 465 ILE A 1146 REMARK 465 PHE A 1147 REMARK 465 GLU A 1148 REMARK 465 ALA A 1149 REMARK 465 GLN A 1150 REMARK 465 LYS A 1151 REMARK 465 ILE A 1152 REMARK 465 GLU A 1153 REMARK 465 TRP A 1154 REMARK 465 HIS A 1155 REMARK 465 GLU A 1156 REMARK 465 GLY A 1157 REMARK 465 SER A 1158 REMARK 465 GLY A 1159 REMARK 465 HIS A 1160 REMARK 465 HIS A 1161 REMARK 465 HIS A 1162 REMARK 465 HIS A 1163 REMARK 465 HIS A 1164 REMARK 465 HIS A 1165 REMARK 465 HIS A 1166 REMARK 465 HIS A 1167 REMARK 465 HIS H 1 REMARK 465 SER H 2 REMARK 465 GLN L 1 REMARK 465 LEU L 111 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 306 CG CD OE1 OE2 REMARK 470 SER A 333 OG REMARK 470 THR A 337 OG1 CG2 REMARK 470 SER A 366 OG REMARK 470 SER A 380 OG REMARK 470 SER A 383 OG REMARK 470 THR A 393 OG1 CG2 REMARK 470 GLU A 410 CG CD OE1 OE2 REMARK 470 GLN H 3 CG CD OE1 NE2 REMARK 470 SER H 7 OG REMARK 470 SER H 19 OG REMARK 470 THR H 21 OG1 CG2 REMARK 470 THR H 23 OG1 CG2 REMARK 470 SER H 25 OG REMARK 470 SER H 28 OG REMARK 470 SER H 30 OG REMARK 470 SER H 31 OG REMARK 470 LYS H 45 CG CD CE NZ REMARK 470 SER H 56 OG REMARK 470 ASN H 58 CG OD1 ND2 REMARK 470 LYS H 66 CG CD CE NZ REMARK 470 SER H 67 OG REMARK 470 THR H 70 OG1 CG2 REMARK 470 SER H 72 OG REMARK 470 ASP H 74 CG OD1 OD2 REMARK 470 SER H 76 OG REMARK 470 LYS H 77 CG CD CE NZ REMARK 470 SER H 86 OG REMARK 470 THR H 88 OG1 CG2 REMARK 470 THR H 115 OG1 CG2 REMARK 470 SER H 117 OG REMARK 470 SER H 118 OG REMARK 470 SER L 2 OG REMARK 470 THR L 5 OG1 CG2 REMARK 470 SER L 9 OG REMARK 470 VAL L 10 CG1 CG2 REMARK 470 SER L 11 OG REMARK 470 SER L 13 OG REMARK 470 GLN L 16 CG CD OE1 NE2 REMARK 470 SER L 17 OG REMARK 470 ILE L 18 CG1 CG2 CD1 REMARK 470 THR L 23 OG1 CG2 REMARK 470 THR L 25 OG1 CG2 REMARK 470 SER L 26 OG REMARK 470 SER L 27 OG REMARK 470 VAL L 53 CG1 CG2 REMARK 470 SER L 54 OG REMARK 470 SER L 58 OG REMARK 470 SER L 65 OG REMARK 470 SER L 67 OG REMARK 470 SER L 69 OG REMARK 470 SER L 74 OG REMARK 470 THR L 76 OG1 CG2 REMARK 470 ILE L 77 CG1 CG2 CD1 REMARK 470 SER L 78 OG REMARK 470 GLN L 81 CG CD OE1 NE2 REMARK 470 GLU L 83 CG CD OE1 OE2 REMARK 470 GLU L 85 CG CD OE1 OE2 REMARK 470 THR L 106 OG1 CG2 REMARK 470 GLN L 107 CG CD OE1 NE2 REMARK 470 THR L 109 OG1 CG2 REMARK 470 VAL L 110 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 ASP A 317 83.99 -151.42 REMARK 500 TYR A 394 -65.05 -110.00 REMARK 500 VAL H 102 -86.55 60.29 REMARK 500 ASP H 106 116.28 -172.39 REMARK 500 ASP L 28 -128.44 54.49 REMARK 500 GLU L 85 99.28 -67.18 REMARK 500 ALA L 94 -50.24 -127.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 9DEZ RELATED DB: PDB REMARK 900 RELATED ID: EMD-46804 RELATED DB: EMDB REMARK 900 RELATED ID: EMD-46805 RELATED DB: EMDB REMARK 900 PDCOV S RBD BOUND TO PD41 FAB (LOCAL REFINEMENT) REMARK 900 RELATED ID: EMD-46806 RELATED DB: EMDB REMARK 900 RELATED ID: EMD-46814 RELATED DB: EMDB REMARK 900 RELATED ID: EMD-46815 RELATED DB: EMDB REMARK 900 RELATED ID: EMD-46816 RELATED DB: EMDB DBREF1 9DF0 A 2 1098 UNP A0A6M5ICE2_9NIDO DBREF2 9DF0 A A0A6M5ICE2 1 1097 DBREF 9DF0 H 1 118 PDB 9DF0 9DF0 1 118 DBREF 9DF0 L 1 111 PDB 9DF0 9DF0 1 111 SEQADV 9DF0 GLY A 1099 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 SER A 1100 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1101 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 TYR A 1102 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ILE A 1103 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PRO A 1104 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1105 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ALA A 1106 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PRO A 1107 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ARG A 1108 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ASP A 1109 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1110 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLN A 1111 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ALA A 1112 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 TYR A 1113 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 VAL A 1114 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ARG A 1115 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LYS A 1116 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ASP A 1117 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1118 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1119 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 TRP A 1120 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 VAL A 1121 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1122 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1123 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 SER A 1124 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 THR A 1125 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PHE A 1126 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1127 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1128 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ARG A 1129 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 SER A 1130 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1131 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1132 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 VAL A 1133 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1134 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PHE A 1135 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLN A 1136 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1137 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PRO A 1138 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1139 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 SER A 1140 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1141 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1142 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LEU A 1143 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ASN A 1144 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ASP A 1145 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ILE A 1146 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 PHE A 1147 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1148 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ALA A 1149 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLN A 1150 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 LYS A 1151 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 ILE A 1152 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1153 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 TRP A 1154 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1155 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLU A 1156 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1157 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 SER A 1158 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 GLY A 1159 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1160 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1161 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1162 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1163 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1164 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1165 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1166 UNP A0A6M5ICE EXPRESSION TAG SEQADV 9DF0 HIS A 1167 UNP A0A6M5ICE EXPRESSION TAG SEQRES 1 A 1166 MET GLN ARG ALA LEU LEU ILE MET THR LEU LEU CYS LEU SEQRES 2 A 1166 VAL ARG ALA LYS PHE ALA ASP ASP LEU LEU ASP LEU LEU SEQRES 3 A 1166 THR PHE PRO GLY ALA HIS ARG PHE LEU HIS LYS LEU THR SEQRES 4 A 1166 SER ASN SER SER SER LEU TYR SER ARG ALA ASN ASN PHE SEQRES 5 A 1166 ASP VAL GLY VAL LEU PRO GLY TYR PRO THR LYS ASN VAL SEQRES 6 A 1166 ASN LEU PHE SER PRO LEU THR ASN SER THR LEU PRO ILE SEQRES 7 A 1166 ASN GLY LEU HIS ARG SER TYR GLN PRO LEU MET LEU ASN SEQRES 8 A 1166 CYS LEU THR LYS ILE THR ASN HIS THR LEU SER MET TYR SEQRES 9 A 1166 LEU LEU PRO SER GLU ILE GLN THR TYR SER CYS GLY GLY SEQRES 10 A 1166 ALA MET VAL LYS TYR GLN THR HIS ASP ALA VAL ARG ILE SEQRES 11 A 1166 ILE LEU ASP LEU THR VAL THR ASP HIS ILE SER VAL GLU SEQRES 12 A 1166 VAL VAL GLY GLN HIS GLY GLU ASN TYR VAL PHE VAL CYS SEQRES 13 A 1166 SER GLU GLN PHE ASN TYR THR THR ALA LEU HIS ASN SER SEQRES 14 A 1166 THR PHE PHE SER LEU ASN SER GLU LEU TYR CYS PHE THR SEQRES 15 A 1166 ASN ASN THR TYR LEU GLY ILE LEU PRO PRO ASP LEU THR SEQRES 16 A 1166 ASP PHE THR VAL TYR ARG THR GLY GLN PHE TYR ALA ASN SEQRES 17 A 1166 GLY TYR LEU LEU GLY THR LEU PRO ILE THR VAL ASN TYR SEQRES 18 A 1166 VAL ARG LEU TYR ARG GLY HIS LEU SER ALA ASN SER ALA SEQRES 19 A 1166 HIS PHE ALA LEU ALA ASN LEU THR ASP THR LEU ILE THR SEQRES 20 A 1166 LEU THR ASN THR THR ILE SER GLN ILE THR TYR CYS ASP SEQRES 21 A 1166 LYS SER VAL VAL ASP SER ILE ALA CYS GLN ARG SER SER SEQRES 22 A 1166 HIS GLU VAL GLU ASP GLY PHE TYR SER ASP PRO LYS SER SEQRES 23 A 1166 ALA VAL ARG ALA ARG GLN ARG THR ILE VAL THR LEU PRO SEQRES 24 A 1166 LYS LEU PRO GLU LEU GLU VAL VAL GLN LEU ASN ILE SER SEQRES 25 A 1166 ALA HIS MET ASP PHE GLY GLU ALA ARG LEU ASP SER VAL SEQRES 26 A 1166 THR ILE ASN GLY ASN THR SER TYR CYS VAL THR LYS PRO SEQRES 27 A 1166 TYR PHE ARG LEU GLU THR ASN PHE MET CYS THR GLY CYS SEQRES 28 A 1166 THR ILE ASN LEU ARG THR ASP THR CYS SER PHE ASP LEU SEQRES 29 A 1166 SER ALA VAL ASN ASN GLY MET SER PHE SER GLN PHE CYS SEQRES 30 A 1166 LEU SER THR GLU SER GLY ALA CYS GLU MET LYS ILE VAL SEQRES 31 A 1166 VAL THR TYR VAL TRP LYS TYR LEU LEU ARG GLN ARG LEU SEQRES 32 A 1166 TYR VAL THR ALA VAL GLU GLY GLN THR HIS THR GLY THR SEQRES 33 A 1166 THR SER VAL HIS ALA ILE ASP THR SER SER VAL ILE THR SEQRES 34 A 1166 ASP VAL CYS THR ASP TYR THR ILE TYR GLY VAL SER GLY SEQRES 35 A 1166 THR GLY ILE ILE LYS PRO SER ASP LEU LEU LEU HIS ASN SEQRES 36 A 1166 GLY ILE ALA PHE THR SER PRO THR GLY GLU LEU TYR ALA SEQRES 37 A 1166 PHE LYS ASN ILE THR THR GLY LYS THR LEU GLN VAL LEU SEQRES 38 A 1166 PRO CYS GLU THR PRO SER GLN LEU ILE VAL ILE ASN ASN SEQRES 39 A 1166 THR VAL VAL GLY ALA ILE THR SER SER ASN SER THR GLU SEQRES 40 A 1166 ASN ASN ARG PHE THR THR THR ILE VAL THR PRO THR PHE SEQRES 41 A 1166 PHE TYR SER THR ASN ALA THR THR PHE ASN CYS THR LYS SEQRES 42 A 1166 PRO VAL LEU SER TYR GLY PRO ILE SER VAL CYS SER ASP SEQRES 43 A 1166 GLY ALA ILE VAL GLY THR SER THR LEU GLN ASN THR ARG SEQRES 44 A 1166 PRO SER ILE VAL SER LEU TYR ASP GLY GLU VAL GLU ILE SEQRES 45 A 1166 PRO SER ALA PHE SER LEU SER VAL GLN THR GLU TYR LEU SEQRES 46 A 1166 GLN VAL GLN ALA GLU GLN VAL ILE VAL ASP CYS PRO GLN SEQRES 47 A 1166 TYR VAL CYS ASN GLY ASN SER ARG CYS LEU GLN LEU LEU SEQRES 48 A 1166 ALA GLN TYR THR SER ALA CYS SER ASN ILE GLU ALA ALA SEQRES 49 A 1166 LEU HIS SER SER ALA GLN LEU ASP SER ARG GLU ILE ILE SEQRES 50 A 1166 ASN MET PHE GLN THR SER THR GLN SER LEU GLN LEU ALA SEQRES 51 A 1166 ASN ILE THR ASN PHE LYS GLY ASP TYR ASN PHE SER SER SEQRES 52 A 1166 ILE LEU THR THR ARG LEU GLY GLY ARG SER ALA ILE GLU SEQRES 53 A 1166 ASP LEU LEU PHE ASN LYS VAL VAL THR SER GLY LEU GLY SEQRES 54 A 1166 THR VAL ASP GLN ASP TYR LYS ALA CYS SER ARG ASP MET SEQRES 55 A 1166 ALA ILE ALA ASP LEU VAL CYS SER GLN TYR TYR ASN GLY SEQRES 56 A 1166 ILE MET VAL LEU PRO GLY VAL VAL ASP ALA GLU LYS MET SEQRES 57 A 1166 ALA MET TYR THR GLY SER LEU THR GLY ALA MET VAL PHE SEQRES 58 A 1166 GLY GLY LEU THR ALA ALA ALA ALA ILE PRO PHE ALA THR SEQRES 59 A 1166 ALA VAL GLN ALA ARG LEU ASN TYR VAL ALA LEU GLN THR SEQRES 60 A 1166 ASN VAL LEU GLN GLU ASN GLN LYS ILE LEU ALA GLU SER SEQRES 61 A 1166 PHE ASN GLN ALA VAL GLY ASN ILE SER LEU ALA LEU SER SEQRES 62 A 1166 SER VAL ASN ASP ALA ILE GLN GLN THR SER GLU ALA LEU SEQRES 63 A 1166 ASN THR VAL ALA ILE ALA ILE LYS LYS ILE GLN THR VAL SEQRES 64 A 1166 VAL ASN GLN GLN GLY GLU ALA LEU SER HIS LEU THR ALA SEQRES 65 A 1166 GLN LEU SER ASN ASN PHE GLN ALA ILE SER THR SER ILE SEQRES 66 A 1166 GLN ASP ILE TYR ASN ARG LEU GLU GLU VAL GLU ALA ASN SEQRES 67 A 1166 GLN GLN VAL ASP ARG LEU ILE THR GLY ARG LEU ALA ALA SEQRES 68 A 1166 LEU ASN ALA TYR VAL THR GLN LEU LEU ASN GLN MET SER SEQRES 69 A 1166 GLN ILE ARG GLN SER ARG LEU LEU ALA GLN GLN LYS ILE SEQRES 70 A 1166 ASN GLU CYS VAL LYS SER GLN SER SER ARG TYR GLY PHE SEQRES 71 A 1166 CYS GLY ASN GLY THR HIS ILE PHE SER LEU THR GLN THR SEQRES 72 A 1166 ALA PRO ASN GLY ILE PHE PHE MET HIS ALA VAL LEU VAL SEQRES 73 A 1166 PRO ASN LYS PHE THR ARG VAL ASN ALA SER ALA GLY ILE SEQRES 74 A 1166 CYS VAL ASP ASN THR ARG GLY TYR SER LEU GLN PRO GLN SEQRES 75 A 1166 LEU ILE LEU TYR GLN PHE ASN ASN SER TRP ARG VAL THR SEQRES 76 A 1166 PRO ARG ASN MET TYR GLU PRO ARG LEU PRO ARG GLN ALA SEQRES 77 A 1166 ASP PHE ILE GLN LEU THR ASP CYS SER VAL THR PHE TYR SEQRES 78 A 1166 ASN THR THR ALA ALA ASN LEU PRO ASN ILE ILE PRO ASP SEQRES 79 A 1166 ILE ILE ASP VAL ASN GLN THR VAL SER ASP ILE ILE ASP SEQRES 80 A 1166 ASN LEU PRO THR ALA THR PRO PRO GLN TRP ASP VAL GLY SEQRES 81 A 1166 ILE TYR ASN ASN THR ILE LEU ASN LEU THR VAL GLU ILE SEQRES 82 A 1166 ASN ASP LEU GLN GLU ARG SER LYS ASN LEU SER GLN ILE SEQRES 83 A 1166 ALA ASP ARG LEU GLN ASN TYR ILE ASP ASN LEU ASN ASN SEQRES 84 A 1166 THR LEU VAL ASP LEU GLU TRP LEU ASN ARG VAL GLU THR SEQRES 85 A 1166 TYR LEU LYS TRP PRO GLY SER GLY TYR ILE PRO GLU ALA SEQRES 86 A 1166 PRO ARG ASP GLY GLN ALA TYR VAL ARG LYS ASP GLY GLU SEQRES 87 A 1166 TRP VAL LEU LEU SER THR PHE LEU GLY ARG SER LEU GLU SEQRES 88 A 1166 VAL LEU PHE GLN GLY PRO GLY SER GLY GLY LEU ASN ASP SEQRES 89 A 1166 ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU GLY SER SEQRES 90 A 1166 GLY HIS HIS HIS HIS HIS HIS HIS HIS SEQRES 1 H 118 HIS SER GLN LEU GLN GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 H 118 PRO SER GLN THR LEU SER LEU THR CYS THR VAL SER GLY SEQRES 3 H 118 GLY SER ILE SER SER ALA GLY TYR TYR TRP ASN TRP ILE SEQRES 4 H 118 ARG GLN HIS PRO GLY LYS GLY LEU GLU TRP ILE GLY TYR SEQRES 5 H 118 ILE TYR TYR SER GLY ASN THR TYR TYR ASN PRO SER LEU SEQRES 6 H 118 LYS SER ARG VAL THR ILE SER VAL ASP THR SER LYS SER SEQRES 7 H 118 GLN PHE SER LEU LYS LEU ASN SER VAL THR ALA ALA ASP SEQRES 8 H 118 THR ALA VAL TYR TYR CYS ALA ARG LYS ILE VAL ASN TRP SEQRES 9 H 118 PHE ASP PRO TRP GLY GLN GLY THR LEU VAL THR VAL SER SEQRES 10 H 118 SER SEQRES 1 L 111 GLN SER ALA LEU THR GLN PRO ALA SER VAL SER GLY SER SEQRES 2 L 111 PRO GLY GLN SER ILE THR ILE SER CYS THR GLY THR SER SEQRES 3 L 111 SER ASP VAL GLY GLY TYR ASN TYR VAL SER TRP TYR GLN SEQRES 4 L 111 GLN HIS PRO GLY LYS ALA PRO LYS LEU MET ILE TYR ASP SEQRES 5 L 111 VAL SER GLU ARG PRO SER GLY VAL SER ASN ARG PHE SER SEQRES 6 L 111 GLY SER LYS SER GLY ASN THR ALA SER LEU THR ILE SER SEQRES 7 L 111 GLY LEU GLN ALA GLU ASP GLU ALA ASP TYR PHE CYS CYS SEQRES 8 L 111 SER TYR ALA GLY TYR THR THR TYR VAL VAL PHE GLY GLY SEQRES 9 L 111 GLY THR GLN LEU THR VAL LEU HET NAG B 1 14 HET NAG B 2 14 HET BMA B 3 11 HET NAG A1201 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETNAM BMA BETA-D-MANNOPYRANOSE HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE FORMUL 4 NAG 3(C8 H15 N O6) FORMUL 4 BMA C6 H12 O6 HELIX 1 AA1 ASP A 364 GLY A 371 5 8 HELIX 2 AA2 GLY H 27 SER H 31 5 5 HELIX 3 AA3 THR H 88 THR H 92 5 5 HELIX 4 AA4 SER L 27 TYR L 32 5 6 HELIX 5 AA5 GLN L 81 GLU L 85 5 5 SHEET 1 AA1 6 GLU A 320 ILE A 328 0 SHEET 2 AA1 6 VAL A 307 ASP A 317 -1 N SER A 313 O ASP A 324 SHEET 3 AA1 6 TYR A 340 THR A 350 1 O ASN A 346 N LEU A 310 SHEET 4 AA1 6 LYS A 397 GLY A 416 1 O THR A 415 N PHE A 341 SHEET 5 AA1 6 SER A 373 SER A 380 -1 N PHE A 374 O HIS A 414 SHEET 6 AA1 6 SER A 333 CYS A 335 -1 N TYR A 334 O LEU A 379 SHEET 1 AA2 6 GLU A 320 ILE A 328 0 SHEET 2 AA2 6 VAL A 307 ASP A 317 -1 N SER A 313 O ASP A 324 SHEET 3 AA2 6 TYR A 340 THR A 350 1 O ASN A 346 N LEU A 310 SHEET 4 AA2 6 LYS A 397 GLY A 416 1 O THR A 415 N PHE A 341 SHEET 5 AA2 6 CYS A 386 THR A 393 -1 N VAL A 392 O TYR A 398 SHEET 6 AA2 6 THR A 353 THR A 358 -1 N ASN A 355 O VAL A 391 SHEET 1 AA3 4 LEU H 4 SER H 7 0 SHEET 2 AA3 4 LEU H 18 VAL H 24 -1 O THR H 23 N GLN H 5 SHEET 3 AA3 4 GLN H 79 LEU H 84 -1 O PHE H 80 N CYS H 22 SHEET 4 AA3 4 VAL H 69 ASP H 74 -1 N ASP H 74 O GLN H 79 SHEET 1 AA4 6 LEU H 11 VAL H 12 0 SHEET 2 AA4 6 THR H 112 VAL H 116 1 O THR H 115 N VAL H 12 SHEET 3 AA4 6 ALA H 93 ILE H 101 -1 N TYR H 95 O THR H 112 SHEET 4 AA4 6 TYR H 34 HIS H 42 -1 N ASN H 37 O ALA H 98 SHEET 5 AA4 6 GLY H 46 TYR H 54 -1 O GLU H 48 N ARG H 40 SHEET 6 AA4 6 THR H 59 TYR H 61 -1 O TYR H 60 N TYR H 52 SHEET 1 AA5 4 LEU H 11 VAL H 12 0 SHEET 2 AA5 4 THR H 112 VAL H 116 1 O THR H 115 N VAL H 12 SHEET 3 AA5 4 ALA H 93 ILE H 101 -1 N TYR H 95 O THR H 112 SHEET 4 AA5 4 TRP H 104 TRP H 108 -1 O TRP H 104 N ILE H 101 SHEET 1 AA6 5 SER L 9 SER L 11 0 SHEET 2 AA6 5 THR L 106 THR L 109 1 O GLN L 107 N VAL L 10 SHEET 3 AA6 5 ASP L 87 TYR L 93 -1 N TYR L 88 O THR L 106 SHEET 4 AA6 5 VAL L 35 GLN L 40 -1 N SER L 36 O CYS L 91 SHEET 5 AA6 5 LYS L 47 ILE L 50 -1 O LYS L 47 N GLN L 39 SHEET 1 AA7 4 SER L 9 SER L 11 0 SHEET 2 AA7 4 THR L 106 THR L 109 1 O GLN L 107 N VAL L 10 SHEET 3 AA7 4 ASP L 87 TYR L 93 -1 N TYR L 88 O THR L 106 SHEET 4 AA7 4 VAL L 100 PHE L 102 -1 O VAL L 101 N SER L 92 SHEET 1 AA8 3 SER L 17 THR L 23 0 SHEET 2 AA8 3 THR L 72 SER L 78 -1 O LEU L 75 N ILE L 20 SHEET 3 AA8 3 PHE L 64 SER L 69 -1 N SER L 65 O THR L 76 SSBOND 1 CYS A 335 CYS A 378 1555 1555 2.04 SSBOND 2 CYS A 349 CYS A 352 1555 1555 2.03 SSBOND 3 CYS A 361 CYS A 386 1555 1555 2.03 SSBOND 4 CYS H 22 CYS H 97 1555 1555 2.03 SSBOND 5 CYS L 22 CYS L 90 1555 1555 2.03 LINK ND2 ASN A 311 C1 NAG B 1 1555 1555 1.44 LINK ND2 ASN A 331 C1 NAG A1201 1555 1555 1.44 LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.44 LINK O4 NAG B 2 C1 BMA B 3 1555 1555 1.45 CISPEP 1 ASP H 106 PRO H 107 0 0.83 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