HEADER VIRAL PROTEIN 11-APR-24 9BDF TITLE INFLUENZA A VIRUS HEMAGGLUTININ H3/DARWIN/6/2021 IN COMPLEX WITH FAB TITLE 2 ADI-85666 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMAGGLUTININ; COMPND 3 CHAIN: A, G, H; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ADI-85666 FAB HEAVY CHAIN; COMPND 7 CHAIN: B, C, E; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: ADI-85666 FAB LIGHT CHAIN; COMPND 11 CHAIN: D, I, J; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; SOURCE 3 ORGANISM_TAXID: 11320; SOURCE 4 GENE: HA; SOURCE 5 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 7 MOL_ID: 2; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_TAXID: 9606; SOURCE 10 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 11 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 12 MOL_ID: 3; SOURCE 13 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 9606 KEYWDS HEMAGGLUTININ, INFLUENZA A, ANTIBODY, FAB, VIRAL PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR A.S.FERREIRA RAMOS,G.BAJIC REVDAT 1 13-NOV-24 9BDF 0 JRNL AUTH D.MAURER,A.S.FERREIRA RAMOS,G.BAJIC,G.S.AARON JRNL TITL INFLUENZA A VIRUS HEMAGGLUTININ H3/DARWIN/6/2021 IN COMPLEX JRNL TITL 2 WITH FAB ADI-85666 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.01 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : PHENIX 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) : 3.010 REMARK 3 NUMBER OF PARTICLES : 315433 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING ONLY REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9BDF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-APR-24. REMARK 100 THE DEPOSITION ID IS D_1000283008. 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 : HA/FAB REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.50 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 : TFS KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 800.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2000.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : 2.70 REMARK 245 IMAGING MODE : OTHER REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 5244.00 REMARK 245 ILLUMINATION MODE : OTHER REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: NONAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, G, H, I, J, F, REMARK 350 AND CHAINS: K, L, M, N, O, P, Q, R REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLN A 1 REMARK 465 LYS A 2 REMARK 465 ILE A 3 REMARK 465 PRO A 4 REMARK 465 GLY A 5 REMARK 465 ASN A 6 REMARK 465 ASP A 7 REMARK 465 LYS A 326 REMARK 465 GLN A 327 REMARK 465 THR A 328 REMARK 465 ARG A 329 REMARK 465 GLY A 330 REMARK 465 ILE A 331 REMARK 465 PHE A 332 REMARK 465 GLY A 333 REMARK 465 ALA A 334 REMARK 465 ILE A 335 REMARK 465 ALA A 336 REMARK 465 GLY A 337 REMARK 465 PHE A 338 REMARK 465 ILE A 339 REMARK 465 GLN A 501 REMARK 465 ILE A 502 REMARK 465 LYS A 503 REMARK 465 GLY A 504 REMARK 465 ALA A 505 REMARK 465 GLY A 506 REMARK 465 SER A 507 REMARK 465 SER A 508 REMARK 465 LEU A 509 REMARK 465 GLU A 510 REMARK 465 VAL A 511 REMARK 465 LEU A 512 REMARK 465 PHE A 513 REMARK 465 GLN A 514 REMARK 465 THR B 129 REMARK 465 LYS B 130 REMARK 465 GLY B 131 REMARK 465 PRO B 132 REMARK 465 SER B 133 REMARK 465 VAL B 134 REMARK 465 PHE B 135 REMARK 465 PRO B 136 REMARK 465 LEU B 137 REMARK 465 ALA B 138 REMARK 465 PRO B 139 REMARK 465 SER B 140 REMARK 465 SER B 141 REMARK 465 LYS B 142 REMARK 465 SER B 143 REMARK 465 THR B 144 REMARK 465 SER B 145 REMARK 465 GLY B 146 REMARK 465 GLY B 147 REMARK 465 THR B 148 REMARK 465 ALA B 149 REMARK 465 ALA B 150 REMARK 465 LEU B 151 REMARK 465 GLY B 152 REMARK 465 CYS B 153 REMARK 465 LEU B 154 REMARK 465 VAL B 155 REMARK 465 LYS B 156 REMARK 465 ASP B 157 REMARK 465 TYR B 158 REMARK 465 PHE B 159 REMARK 465 PRO B 160 REMARK 465 GLU B 161 REMARK 465 PRO B 162 REMARK 465 VAL B 163 REMARK 465 THR B 164 REMARK 465 VAL B 165 REMARK 465 SER B 166 REMARK 465 TRP B 167 REMARK 465 ASN B 168 REMARK 465 SER B 169 REMARK 465 GLY B 170 REMARK 465 ALA B 171 REMARK 465 LEU B 172 REMARK 465 THR B 173 REMARK 465 SER B 174 REMARK 465 GLY B 175 REMARK 465 VAL B 176 REMARK 465 HIS B 177 REMARK 465 THR B 178 REMARK 465 PHE B 179 REMARK 465 PRO B 180 REMARK 465 ALA B 181 REMARK 465 VAL B 182 REMARK 465 LEU B 183 REMARK 465 GLN B 184 REMARK 465 SER B 185 REMARK 465 SER B 186 REMARK 465 GLY B 187 REMARK 465 LEU B 188 REMARK 465 TYR B 189 REMARK 465 SER B 190 REMARK 465 LEU B 191 REMARK 465 SER B 192 REMARK 465 SER B 193 REMARK 465 VAL B 194 REMARK 465 VAL B 195 REMARK 465 THR B 196 REMARK 465 VAL B 197 REMARK 465 PRO B 198 REMARK 465 SER B 199 REMARK 465 SER B 200 REMARK 465 SER B 201 REMARK 465 LEU B 202 REMARK 465 GLY B 203 REMARK 465 THR B 204 REMARK 465 GLN B 205 REMARK 465 THR B 206 REMARK 465 TYR B 207 REMARK 465 ILE B 208 REMARK 465 CYS B 209 REMARK 465 ASN B 210 REMARK 465 VAL B 211 REMARK 465 ASN B 212 REMARK 465 HIS B 213 REMARK 465 LYS B 214 REMARK 465 PRO B 215 REMARK 465 SER B 216 REMARK 465 ASN B 217 REMARK 465 THR B 218 REMARK 465 LYS B 219 REMARK 465 VAL B 220 REMARK 465 ASP B 221 REMARK 465 LYS B 222 REMARK 465 ARG B 223 REMARK 465 VAL B 224 REMARK 465 GLU B 225 REMARK 465 PRO B 226 REMARK 465 LYS B 227 REMARK 465 SER B 228 REMARK 465 CYS B 229 REMARK 465 ASP B 230 REMARK 465 LYS B 231 REMARK 465 GLY B 232 REMARK 465 SER B 233 REMARK 465 SER B 234 REMARK 465 LEU B 235 REMARK 465 GLU B 236 REMARK 465 VAL B 237 REMARK 465 LEU B 238 REMARK 465 PHE B 239 REMARK 465 GLN B 240 REMARK 465 SER C 125 REMARK 465 GLY C 126 REMARK 465 ALA C 127 REMARK 465 SER C 128 REMARK 465 THR C 129 REMARK 465 LYS C 130 REMARK 465 GLY C 131 REMARK 465 PRO C 132 REMARK 465 SER C 133 REMARK 465 VAL C 134 REMARK 465 PHE C 135 REMARK 465 PRO C 136 REMARK 465 LEU C 137 REMARK 465 ALA C 138 REMARK 465 PRO C 139 REMARK 465 SER C 140 REMARK 465 SER C 141 REMARK 465 LYS C 142 REMARK 465 SER C 143 REMARK 465 THR C 144 REMARK 465 SER C 145 REMARK 465 GLY C 146 REMARK 465 GLY C 147 REMARK 465 THR C 148 REMARK 465 ALA C 149 REMARK 465 ALA C 150 REMARK 465 LEU C 151 REMARK 465 GLY C 152 REMARK 465 CYS C 153 REMARK 465 LEU C 154 REMARK 465 VAL C 155 REMARK 465 LYS C 156 REMARK 465 ASP C 157 REMARK 465 TYR C 158 REMARK 465 PHE C 159 REMARK 465 PRO C 160 REMARK 465 GLU C 161 REMARK 465 PRO C 162 REMARK 465 VAL C 163 REMARK 465 THR C 164 REMARK 465 VAL C 165 REMARK 465 SER C 166 REMARK 465 TRP C 167 REMARK 465 ASN C 168 REMARK 465 SER C 169 REMARK 465 GLY C 170 REMARK 465 ALA C 171 REMARK 465 LEU C 172 REMARK 465 THR C 173 REMARK 465 SER C 174 REMARK 465 GLY C 175 REMARK 465 VAL C 176 REMARK 465 HIS C 177 REMARK 465 THR C 178 REMARK 465 PHE C 179 REMARK 465 PRO C 180 REMARK 465 ALA C 181 REMARK 465 VAL C 182 REMARK 465 LEU C 183 REMARK 465 GLN C 184 REMARK 465 SER C 185 REMARK 465 SER C 186 REMARK 465 GLY C 187 REMARK 465 LEU C 188 REMARK 465 TYR C 189 REMARK 465 SER C 190 REMARK 465 LEU C 191 REMARK 465 SER C 192 REMARK 465 SER C 193 REMARK 465 VAL C 194 REMARK 465 VAL C 195 REMARK 465 THR C 196 REMARK 465 VAL C 197 REMARK 465 PRO C 198 REMARK 465 SER C 199 REMARK 465 SER C 200 REMARK 465 SER C 201 REMARK 465 LEU C 202 REMARK 465 GLY C 203 REMARK 465 THR C 204 REMARK 465 GLN C 205 REMARK 465 THR C 206 REMARK 465 TYR C 207 REMARK 465 ILE C 208 REMARK 465 CYS C 209 REMARK 465 ASN C 210 REMARK 465 VAL C 211 REMARK 465 ASN C 212 REMARK 465 HIS C 213 REMARK 465 LYS C 214 REMARK 465 PRO C 215 REMARK 465 SER C 216 REMARK 465 ASN C 217 REMARK 465 THR C 218 REMARK 465 LYS C 219 REMARK 465 VAL C 220 REMARK 465 ASP C 221 REMARK 465 LYS C 222 REMARK 465 ARG C 223 REMARK 465 VAL C 224 REMARK 465 GLU C 225 REMARK 465 PRO C 226 REMARK 465 LYS C 227 REMARK 465 SER C 228 REMARK 465 CYS C 229 REMARK 465 ASP C 230 REMARK 465 LYS C 231 REMARK 465 GLY C 232 REMARK 465 SER C 233 REMARK 465 SER C 234 REMARK 465 LEU C 235 REMARK 465 GLU C 236 REMARK 465 VAL C 237 REMARK 465 LEU C 238 REMARK 465 PHE C 239 REMARK 465 GLN C 240 REMARK 465 GLU D 105 REMARK 465 ILE D 106 REMARK 465 LYS D 107 REMARK 465 ARG D 108 REMARK 465 THR D 109 REMARK 465 VAL D 110 REMARK 465 ALA D 111 REMARK 465 ALA D 112 REMARK 465 PRO D 113 REMARK 465 SER D 114 REMARK 465 VAL D 115 REMARK 465 PHE D 116 REMARK 465 ILE D 117 REMARK 465 PHE D 118 REMARK 465 PRO D 119 REMARK 465 PRO D 120 REMARK 465 SER D 121 REMARK 465 ASP D 122 REMARK 465 GLU D 123 REMARK 465 GLN D 124 REMARK 465 LEU D 125 REMARK 465 LYS D 126 REMARK 465 SER D 127 REMARK 465 GLY D 128 REMARK 465 THR D 129 REMARK 465 ALA D 130 REMARK 465 SER D 131 REMARK 465 VAL D 132 REMARK 465 VAL D 133 REMARK 465 CYS D 134 REMARK 465 LEU D 135 REMARK 465 LEU D 136 REMARK 465 ASN D 137 REMARK 465 ASN D 138 REMARK 465 PHE D 139 REMARK 465 TYR D 140 REMARK 465 PRO D 141 REMARK 465 ARG D 142 REMARK 465 GLU D 143 REMARK 465 ALA D 144 REMARK 465 LYS D 145 REMARK 465 VAL D 146 REMARK 465 GLN D 147 REMARK 465 TRP D 148 REMARK 465 LYS D 149 REMARK 465 VAL D 150 REMARK 465 ASP D 151 REMARK 465 ASN D 152 REMARK 465 ALA D 153 REMARK 465 LEU D 154 REMARK 465 GLN D 155 REMARK 465 SER D 156 REMARK 465 GLY D 157 REMARK 465 ASN D 158 REMARK 465 SER D 159 REMARK 465 GLN D 160 REMARK 465 GLU D 161 REMARK 465 SER D 162 REMARK 465 VAL D 163 REMARK 465 THR D 164 REMARK 465 GLU D 165 REMARK 465 GLN D 166 REMARK 465 ASP D 167 REMARK 465 SER D 168 REMARK 465 LYS D 169 REMARK 465 ASP D 170 REMARK 465 SER D 171 REMARK 465 THR D 172 REMARK 465 TYR D 173 REMARK 465 SER D 174 REMARK 465 LEU D 175 REMARK 465 SER D 176 REMARK 465 SER D 177 REMARK 465 THR D 178 REMARK 465 LEU D 179 REMARK 465 THR D 180 REMARK 465 LEU D 181 REMARK 465 SER D 182 REMARK 465 LYS D 183 REMARK 465 ALA D 184 REMARK 465 ASP D 185 REMARK 465 TYR D 186 REMARK 465 GLU D 187 REMARK 465 LYS D 188 REMARK 465 HIS D 189 REMARK 465 LYS D 190 REMARK 465 VAL D 191 REMARK 465 TYR D 192 REMARK 465 ALA D 193 REMARK 465 CYS D 194 REMARK 465 GLU D 195 REMARK 465 VAL D 196 REMARK 465 THR D 197 REMARK 465 HIS D 198 REMARK 465 GLN D 199 REMARK 465 GLY D 200 REMARK 465 LEU D 201 REMARK 465 SER D 202 REMARK 465 SER D 203 REMARK 465 PRO D 204 REMARK 465 VAL D 205 REMARK 465 THR D 206 REMARK 465 LYS D 207 REMARK 465 SER D 208 REMARK 465 PHE D 209 REMARK 465 ASN D 210 REMARK 465 ARG D 211 REMARK 465 GLY D 212 REMARK 465 GLU D 213 REMARK 465 CYS D 214 REMARK 465 GLY E 126 REMARK 465 ALA E 127 REMARK 465 SER E 128 REMARK 465 THR E 129 REMARK 465 LYS E 130 REMARK 465 GLY E 131 REMARK 465 PRO E 132 REMARK 465 SER E 133 REMARK 465 VAL E 134 REMARK 465 PHE E 135 REMARK 465 PRO E 136 REMARK 465 LEU E 137 REMARK 465 ALA E 138 REMARK 465 PRO E 139 REMARK 465 SER E 140 REMARK 465 SER E 141 REMARK 465 LYS E 142 REMARK 465 SER E 143 REMARK 465 THR E 144 REMARK 465 SER E 145 REMARK 465 GLY E 146 REMARK 465 GLY E 147 REMARK 465 THR E 148 REMARK 465 ALA E 149 REMARK 465 ALA E 150 REMARK 465 LEU E 151 REMARK 465 GLY E 152 REMARK 465 CYS E 153 REMARK 465 LEU E 154 REMARK 465 VAL E 155 REMARK 465 LYS E 156 REMARK 465 ASP E 157 REMARK 465 TYR E 158 REMARK 465 PHE E 159 REMARK 465 PRO E 160 REMARK 465 GLU E 161 REMARK 465 PRO E 162 REMARK 465 VAL E 163 REMARK 465 THR E 164 REMARK 465 VAL E 165 REMARK 465 SER E 166 REMARK 465 TRP E 167 REMARK 465 ASN E 168 REMARK 465 SER E 169 REMARK 465 GLY E 170 REMARK 465 ALA E 171 REMARK 465 LEU E 172 REMARK 465 THR E 173 REMARK 465 SER E 174 REMARK 465 GLY E 175 REMARK 465 VAL E 176 REMARK 465 HIS E 177 REMARK 465 THR E 178 REMARK 465 PHE E 179 REMARK 465 PRO E 180 REMARK 465 ALA E 181 REMARK 465 VAL E 182 REMARK 465 LEU E 183 REMARK 465 GLN E 184 REMARK 465 SER E 185 REMARK 465 SER E 186 REMARK 465 GLY E 187 REMARK 465 LEU E 188 REMARK 465 TYR E 189 REMARK 465 SER E 190 REMARK 465 LEU E 191 REMARK 465 SER E 192 REMARK 465 SER E 193 REMARK 465 VAL E 194 REMARK 465 VAL E 195 REMARK 465 THR E 196 REMARK 465 VAL E 197 REMARK 465 PRO E 198 REMARK 465 SER E 199 REMARK 465 SER E 200 REMARK 465 SER E 201 REMARK 465 LEU E 202 REMARK 465 GLY E 203 REMARK 465 THR E 204 REMARK 465 GLN E 205 REMARK 465 THR E 206 REMARK 465 TYR E 207 REMARK 465 ILE E 208 REMARK 465 CYS E 209 REMARK 465 ASN E 210 REMARK 465 VAL E 211 REMARK 465 ASN E 212 REMARK 465 HIS E 213 REMARK 465 LYS E 214 REMARK 465 PRO E 215 REMARK 465 SER E 216 REMARK 465 ASN E 217 REMARK 465 THR E 218 REMARK 465 LYS E 219 REMARK 465 VAL E 220 REMARK 465 ASP E 221 REMARK 465 LYS E 222 REMARK 465 ARG E 223 REMARK 465 VAL E 224 REMARK 465 GLU E 225 REMARK 465 PRO E 226 REMARK 465 LYS E 227 REMARK 465 SER E 228 REMARK 465 CYS E 229 REMARK 465 ASP E 230 REMARK 465 LYS E 231 REMARK 465 GLY E 232 REMARK 465 SER E 233 REMARK 465 SER E 234 REMARK 465 LEU E 235 REMARK 465 GLU E 236 REMARK 465 VAL E 237 REMARK 465 LEU E 238 REMARK 465 PHE E 239 REMARK 465 GLN E 240 REMARK 465 GLN G 1 REMARK 465 LYS G 2 REMARK 465 ILE G 3 REMARK 465 PRO G 4 REMARK 465 GLY G 5 REMARK 465 ASN G 6 REMARK 465 ASP G 7 REMARK 465 LYS G 326 REMARK 465 GLN G 327 REMARK 465 THR G 328 REMARK 465 ARG G 329 REMARK 465 GLY G 330 REMARK 465 ILE G 331 REMARK 465 PHE G 332 REMARK 465 GLY G 333 REMARK 465 ALA G 334 REMARK 465 ILE G 335 REMARK 465 ALA G 336 REMARK 465 GLY G 337 REMARK 465 PHE G 338 REMARK 465 ILE G 339 REMARK 465 GLN G 501 REMARK 465 ILE G 502 REMARK 465 LYS G 503 REMARK 465 GLY G 504 REMARK 465 ALA G 505 REMARK 465 GLY G 506 REMARK 465 SER G 507 REMARK 465 SER G 508 REMARK 465 LEU G 509 REMARK 465 GLU G 510 REMARK 465 VAL G 511 REMARK 465 LEU G 512 REMARK 465 PHE G 513 REMARK 465 GLN G 514 REMARK 465 GLN H 1 REMARK 465 LYS H 2 REMARK 465 ILE H 3 REMARK 465 PRO H 4 REMARK 465 GLY H 5 REMARK 465 ASN H 6 REMARK 465 ASP H 7 REMARK 465 LYS H 326 REMARK 465 GLN H 327 REMARK 465 THR H 328 REMARK 465 ARG H 329 REMARK 465 GLY H 330 REMARK 465 ILE H 331 REMARK 465 PHE H 332 REMARK 465 GLY H 333 REMARK 465 ALA H 334 REMARK 465 ILE H 335 REMARK 465 ALA H 336 REMARK 465 GLY H 337 REMARK 465 PHE H 338 REMARK 465 ILE H 339 REMARK 465 GLN H 501 REMARK 465 ILE H 502 REMARK 465 LYS H 503 REMARK 465 GLY H 504 REMARK 465 ALA H 505 REMARK 465 GLY H 506 REMARK 465 SER H 507 REMARK 465 SER H 508 REMARK 465 LEU H 509 REMARK 465 GLU H 510 REMARK 465 VAL H 511 REMARK 465 LEU H 512 REMARK 465 PHE H 513 REMARK 465 GLN H 514 REMARK 465 GLU I 105 REMARK 465 ILE I 106 REMARK 465 LYS I 107 REMARK 465 ARG I 108 REMARK 465 THR I 109 REMARK 465 VAL I 110 REMARK 465 ALA I 111 REMARK 465 ALA I 112 REMARK 465 PRO I 113 REMARK 465 SER I 114 REMARK 465 VAL I 115 REMARK 465 PHE I 116 REMARK 465 ILE I 117 REMARK 465 PHE I 118 REMARK 465 PRO I 119 REMARK 465 PRO I 120 REMARK 465 SER I 121 REMARK 465 ASP I 122 REMARK 465 GLU I 123 REMARK 465 GLN I 124 REMARK 465 LEU I 125 REMARK 465 LYS I 126 REMARK 465 SER I 127 REMARK 465 GLY I 128 REMARK 465 THR I 129 REMARK 465 ALA I 130 REMARK 465 SER I 131 REMARK 465 VAL I 132 REMARK 465 VAL I 133 REMARK 465 CYS I 134 REMARK 465 LEU I 135 REMARK 465 LEU I 136 REMARK 465 ASN I 137 REMARK 465 ASN I 138 REMARK 465 PHE I 139 REMARK 465 TYR I 140 REMARK 465 PRO I 141 REMARK 465 ARG I 142 REMARK 465 GLU I 143 REMARK 465 ALA I 144 REMARK 465 LYS I 145 REMARK 465 VAL I 146 REMARK 465 GLN I 147 REMARK 465 TRP I 148 REMARK 465 LYS I 149 REMARK 465 VAL I 150 REMARK 465 ASP I 151 REMARK 465 ASN I 152 REMARK 465 ALA I 153 REMARK 465 LEU I 154 REMARK 465 GLN I 155 REMARK 465 SER I 156 REMARK 465 GLY I 157 REMARK 465 ASN I 158 REMARK 465 SER I 159 REMARK 465 GLN I 160 REMARK 465 GLU I 161 REMARK 465 SER I 162 REMARK 465 VAL I 163 REMARK 465 THR I 164 REMARK 465 GLU I 165 REMARK 465 GLN I 166 REMARK 465 ASP I 167 REMARK 465 SER I 168 REMARK 465 LYS I 169 REMARK 465 ASP I 170 REMARK 465 SER I 171 REMARK 465 THR I 172 REMARK 465 TYR I 173 REMARK 465 SER I 174 REMARK 465 LEU I 175 REMARK 465 SER I 176 REMARK 465 SER I 177 REMARK 465 THR I 178 REMARK 465 LEU I 179 REMARK 465 THR I 180 REMARK 465 LEU I 181 REMARK 465 SER I 182 REMARK 465 LYS I 183 REMARK 465 ALA I 184 REMARK 465 ASP I 185 REMARK 465 TYR I 186 REMARK 465 GLU I 187 REMARK 465 LYS I 188 REMARK 465 HIS I 189 REMARK 465 LYS I 190 REMARK 465 VAL I 191 REMARK 465 TYR I 192 REMARK 465 ALA I 193 REMARK 465 CYS I 194 REMARK 465 GLU I 195 REMARK 465 VAL I 196 REMARK 465 THR I 197 REMARK 465 HIS I 198 REMARK 465 GLN I 199 REMARK 465 GLY I 200 REMARK 465 LEU I 201 REMARK 465 SER I 202 REMARK 465 SER I 203 REMARK 465 PRO I 204 REMARK 465 VAL I 205 REMARK 465 THR I 206 REMARK 465 LYS I 207 REMARK 465 SER I 208 REMARK 465 PHE I 209 REMARK 465 ASN I 210 REMARK 465 ARG I 211 REMARK 465 GLY I 212 REMARK 465 GLU I 213 REMARK 465 CYS I 214 REMARK 465 GLU J 105 REMARK 465 ILE J 106 REMARK 465 LYS J 107 REMARK 465 ARG J 108 REMARK 465 THR J 109 REMARK 465 VAL J 110 REMARK 465 ALA J 111 REMARK 465 ALA J 112 REMARK 465 PRO J 113 REMARK 465 SER J 114 REMARK 465 VAL J 115 REMARK 465 PHE J 116 REMARK 465 ILE J 117 REMARK 465 PHE J 118 REMARK 465 PRO J 119 REMARK 465 PRO J 120 REMARK 465 SER J 121 REMARK 465 ASP J 122 REMARK 465 GLU J 123 REMARK 465 GLN J 124 REMARK 465 LEU J 125 REMARK 465 LYS J 126 REMARK 465 SER J 127 REMARK 465 GLY J 128 REMARK 465 THR J 129 REMARK 465 ALA J 130 REMARK 465 SER J 131 REMARK 465 VAL J 132 REMARK 465 VAL J 133 REMARK 465 CYS J 134 REMARK 465 LEU J 135 REMARK 465 LEU J 136 REMARK 465 ASN J 137 REMARK 465 ASN J 138 REMARK 465 PHE J 139 REMARK 465 TYR J 140 REMARK 465 PRO J 141 REMARK 465 ARG J 142 REMARK 465 GLU J 143 REMARK 465 ALA J 144 REMARK 465 LYS J 145 REMARK 465 VAL J 146 REMARK 465 GLN J 147 REMARK 465 TRP J 148 REMARK 465 LYS J 149 REMARK 465 VAL J 150 REMARK 465 ASP J 151 REMARK 465 ASN J 152 REMARK 465 ALA J 153 REMARK 465 LEU J 154 REMARK 465 GLN J 155 REMARK 465 SER J 156 REMARK 465 GLY J 157 REMARK 465 ASN J 158 REMARK 465 SER J 159 REMARK 465 GLN J 160 REMARK 465 GLU J 161 REMARK 465 SER J 162 REMARK 465 VAL J 163 REMARK 465 THR J 164 REMARK 465 GLU J 165 REMARK 465 GLN J 166 REMARK 465 ASP J 167 REMARK 465 SER J 168 REMARK 465 LYS J 169 REMARK 465 ASP J 170 REMARK 465 SER J 171 REMARK 465 THR J 172 REMARK 465 TYR J 173 REMARK 465 SER J 174 REMARK 465 LEU J 175 REMARK 465 SER J 176 REMARK 465 SER J 177 REMARK 465 THR J 178 REMARK 465 LEU J 179 REMARK 465 THR J 180 REMARK 465 LEU J 181 REMARK 465 SER J 182 REMARK 465 LYS J 183 REMARK 465 ALA J 184 REMARK 465 ASP J 185 REMARK 465 TYR J 186 REMARK 465 GLU J 187 REMARK 465 LYS J 188 REMARK 465 HIS J 189 REMARK 465 LYS J 190 REMARK 465 VAL J 191 REMARK 465 TYR J 192 REMARK 465 ALA J 193 REMARK 465 CYS J 194 REMARK 465 GLU J 195 REMARK 465 VAL J 196 REMARK 465 THR J 197 REMARK 465 HIS J 198 REMARK 465 GLN J 199 REMARK 465 GLY J 200 REMARK 465 LEU J 201 REMARK 465 SER J 202 REMARK 465 SER J 203 REMARK 465 PRO J 204 REMARK 465 VAL J 205 REMARK 465 THR J 206 REMARK 465 LYS J 207 REMARK 465 SER J 208 REMARK 465 PHE J 209 REMARK 465 ASN J 210 REMARK 465 ARG J 211 REMARK 465 GLY J 212 REMARK 465 GLU J 213 REMARK 465 CYS J 214 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OG1 THR G 283 O GLY G 286 2.18 REMARK 500 OG SER A 219 O7 NAG R 1 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 VAL A 297 -60.65 -98.96 REMARK 500 PHE A 392 -61.37 -101.73 REMARK 500 THR B 30 30.59 -90.10 REMARK 500 ARG B 68 31.36 -94.46 REMARK 500 PRO C 14 45.68 -79.17 REMARK 500 THR C 30 30.71 -90.66 REMARK 500 LYS C 45 15.05 -141.22 REMARK 500 ILE C 50 -60.98 -101.28 REMARK 500 ASN D 31 49.10 36.49 REMARK 500 LYS E 66 -70.19 -61.50 REMARK 500 THR G 28 -168.65 -126.92 REMARK 500 CYS G 97 -167.09 -129.14 REMARK 500 LEU G 118 50.90 -95.11 REMARK 500 THR G 155 -66.98 -95.80 REMARK 500 SER G 156 167.36 177.97 REMARK 500 ALA G 196 -2.31 68.10 REMARK 500 PHE G 392 -61.26 -103.77 REMARK 500 GLU G 403 -53.61 -120.32 REMARK 500 TYR G 470 31.32 -94.78 REMARK 500 ASN H 63 13.83 59.24 REMARK 500 ASN H 133 -111.88 59.46 REMARK 500 CYS H 277 -167.90 -79.11 REMARK 500 VAL H 297 -61.61 -91.08 REMARK 500 PHE H 392 -60.63 -102.24 REMARK 500 ASN I 31 -3.22 68.43 REMARK 500 ALA I 51 -7.01 69.53 REMARK 500 SER I 52 36.79 -142.01 REMARK 500 ASN J 31 -4.78 72.56 REMARK 500 ALA J 51 -11.47 71.70 REMARK 500 SER J 52 88.52 -155.01 REMARK 500 SER J 53 101.97 -162.29 REMARK 500 ALA J 84 -169.12 -161.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-44451 RELATED DB: EMDB REMARK 900 INFLUENZA A VIRUS HEMAGGLUTININ H3/DARWIN/6/2021 IN COMPLEX WITH REMARK 900 FAB ADI-85666 DBREF1 9BDF A 1 505 UNP A0A8F5JT24_9INFA DBREF2 9BDF A A0A8F5JT24 17 521 DBREF 9BDF B 1 240 PDB 9BDF 9BDF 1 240 DBREF 9BDF C 1 240 PDB 9BDF 9BDF 1 240 DBREF 9BDF D 1 214 PDB 9BDF 9BDF 1 214 DBREF 9BDF E 1 240 PDB 9BDF 9BDF 1 240 DBREF1 9BDF G 1 505 UNP A0A8F5JT24_9INFA DBREF2 9BDF G A0A8F5JT24 17 521 DBREF1 9BDF H 1 505 UNP A0A8F5JT24_9INFA DBREF2 9BDF H A0A8F5JT24 17 521 DBREF 9BDF I 1 214 PDB 9BDF 9BDF 1 214 DBREF 9BDF J 1 214 PDB 9BDF 9BDF 1 214 SEQADV 9BDF ASN A 31 UNP A0A8F5JT2 ASP 47 CONFLICT SEQADV 9BDF GLY A 53 UNP A0A8F5JT2 ASP 69 CONFLICT SEQADV 9BDF TRP A 355 UNP A0A8F5JT2 HIS 371 CONFLICT SEQADV 9BDF ILE A 380 UNP A0A8F5JT2 LYS 396 CONFLICT SEQADV 9BDF ILE A 432 UNP A0A8F5JT2 GLU 448 CONFLICT SEQADV 9BDF ALA A 505 UNP A0A8F5JT2 VAL 521 CONFLICT SEQADV 9BDF GLY A 506 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER A 507 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER A 508 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU A 509 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLU A 510 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF VAL A 511 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU A 512 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF PHE A 513 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLN A 514 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF ASN G 31 UNP A0A8F5JT2 ASP 47 CONFLICT SEQADV 9BDF GLY G 53 UNP A0A8F5JT2 ASP 69 CONFLICT SEQADV 9BDF TRP G 355 UNP A0A8F5JT2 HIS 371 CONFLICT SEQADV 9BDF ILE G 380 UNP A0A8F5JT2 LYS 396 CONFLICT SEQADV 9BDF ILE G 432 UNP A0A8F5JT2 GLU 448 CONFLICT SEQADV 9BDF ALA G 505 UNP A0A8F5JT2 VAL 521 CONFLICT SEQADV 9BDF GLY G 506 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER G 507 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER G 508 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU G 509 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLU G 510 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF VAL G 511 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU G 512 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF PHE G 513 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLN G 514 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF ASN H 31 UNP A0A8F5JT2 ASP 47 CONFLICT SEQADV 9BDF GLY H 53 UNP A0A8F5JT2 ASP 69 CONFLICT SEQADV 9BDF TRP H 355 UNP A0A8F5JT2 HIS 371 CONFLICT SEQADV 9BDF ILE H 380 UNP A0A8F5JT2 LYS 396 CONFLICT SEQADV 9BDF ILE H 432 UNP A0A8F5JT2 GLU 448 CONFLICT SEQADV 9BDF ALA H 505 UNP A0A8F5JT2 VAL 521 CONFLICT SEQADV 9BDF GLY H 506 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER H 507 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF SER H 508 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU H 509 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLU H 510 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF VAL H 511 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF LEU H 512 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF PHE H 513 UNP A0A8F5JT2 EXPRESSION TAG SEQADV 9BDF GLN H 514 UNP A0A8F5JT2 EXPRESSION TAG SEQRES 1 A 514 GLN LYS ILE PRO GLY ASN ASP ASN SER THR ALA THR LEU SEQRES 2 A 514 CYS LEU GLY HIS HIS ALA VAL PRO ASN GLY THR ILE VAL SEQRES 3 A 514 LYS THR ILE THR ASN ASP ARG ILE GLU VAL THR ASN ALA SEQRES 4 A 514 THR GLU LEU VAL GLN ASN SER SER ILE GLY GLU ILE CYS SEQRES 5 A 514 GLY SER PRO HIS GLN ILE LEU ASP GLY GLY ASN CYS THR SEQRES 6 A 514 LEU ILE ASP ALA LEU LEU GLY ASP PRO GLN CYS ASP GLY SEQRES 7 A 514 PHE GLN ASN LYS GLU TRP ASP LEU PHE VAL GLU ARG SER SEQRES 8 A 514 ARG ALA ASN SER ASN CYS TYR PRO TYR ASP VAL PRO ASP SEQRES 9 A 514 TYR ALA SER LEU ARG SER LEU VAL ALA SER SER GLY THR SEQRES 10 A 514 LEU GLU PHE LYS ASN GLU SER PHE ASN TRP THR GLY VAL SEQRES 11 A 514 LYS GLN ASN GLY THR SER SER ALA CYS ILE ARG GLY SER SEQRES 12 A 514 SER SER SER PHE PHE SER ARG LEU ASN TRP LEU THR SER SEQRES 13 A 514 LEU ASN ASN ILE TYR PRO ALA GLN ASN VAL THR MET PRO SEQRES 14 A 514 ASN LYS GLU GLN PHE ASP LYS LEU TYR ILE TRP GLY VAL SEQRES 15 A 514 HIS HIS PRO ASP THR ASP LYS ASN GLN ILE SER LEU PHE SEQRES 16 A 514 ALA GLN SER SER GLY ARG ILE THR VAL SER THR LYS ARG SEQRES 17 A 514 SER GLN GLN ALA VAL ILE PRO ASN ILE GLY SER ARG PRO SEQRES 18 A 514 ARG ILE ARG ASP ILE PRO SER ARG ILE SER ILE TYR TRP SEQRES 19 A 514 THR ILE VAL LYS PRO GLY ASP ILE LEU LEU ILE ASN SER SEQRES 20 A 514 THR GLY ASN LEU ILE ALA PRO ARG GLY TYR PHE LYS ILE SEQRES 21 A 514 ARG SER GLY LYS SER SER ILE MET ARG SER ASP ALA PRO SEQRES 22 A 514 ILE GLY LYS CYS LYS SER GLU CYS ILE THR PRO ASN GLY SEQRES 23 A 514 SER ILE PRO ASN ASP LYS PRO PHE GLN ASN VAL ASN ARG SEQRES 24 A 514 ILE THR TYR GLY ALA CYS PRO ARG TYR VAL LYS GLN SER SEQRES 25 A 514 THR LEU LYS LEU ALA THR GLY MET ARG ASN VAL PRO GLU SEQRES 26 A 514 LYS GLN THR ARG GLY ILE PHE GLY ALA ILE ALA GLY PHE SEQRES 27 A 514 ILE GLU ASN GLY TRP GLU GLY MET VAL ASP GLY TRP TYR SEQRES 28 A 514 GLY PHE ARG TRP GLN ASN SER GLU GLY ARG GLY GLN ALA SEQRES 29 A 514 ALA ASP LEU LYS SER THR GLN ALA ALA ILE ASP GLN ILE SEQRES 30 A 514 ASN GLY ILE LEU ASN ARG LEU ILE GLY LYS THR ASN GLU SEQRES 31 A 514 LYS PHE HIS GLN ILE GLU LYS GLU PHE SER GLU VAL GLU SEQRES 32 A 514 GLY ARG VAL GLN ASP LEU GLU LYS TYR VAL GLU ASP THR SEQRES 33 A 514 LYS ILE ASP LEU TRP SER TYR ASN ALA GLU LEU LEU VAL SEQRES 34 A 514 ALA LEU ILE ASN GLN HIS THR ILE ASP LEU THR ASP SER SEQRES 35 A 514 GLU MET ASN LYS LEU PHE GLU LYS THR LYS LYS GLN LEU SEQRES 36 A 514 ARG GLU ASN ALA GLU ASP MET GLY ASN GLY CYS PHE LYS SEQRES 37 A 514 ILE TYR HIS LYS CYS ASP ASN ALA CYS ILE GLY SER ILE SEQRES 38 A 514 ARG ASN GLU THR TYR ASP HIS ASN VAL TYR ARG ASP GLU SEQRES 39 A 514 ALA LEU ASN ASN ARG PHE GLN ILE LYS GLY ALA GLY SER SEQRES 40 A 514 SER LEU GLU VAL LEU PHE GLN SEQRES 1 B 240 GLU VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 B 240 PRO SER GLU THR LEU SER LEU THR CYS SER LEU SER GLY SEQRES 3 B 240 GLY PHE VAL THR ARG ASN SER TYR TYR LEU SER TRP VAL SEQRES 4 B 240 ARG GLN PRO PRO GLY LYS GLY MET GLU TRP ILE GLY TYR SEQRES 5 B 240 VAL HIS HIS SER GLY GLU THR LYS TYR ASN PRO SER LEU SEQRES 6 B 240 LYS SER ARG VAL THR MET SER MET ASP ALA SER LYS ASN SEQRES 7 B 240 GLN PHE SER LEU ARG LEU ARG SER VAL THR ALA ALA ASP SEQRES 8 B 240 THR ALA VAL TYR TYR CYS ALA ARG ASP LEU VAL GLU GLY SEQRES 9 B 240 GLY TYR ILE PRO PHE SER TYR GLY LEU ASP VAL TRP GLY SEQRES 10 B 240 LEU GLY THR THR VAL THR VAL SER GLY ALA SER THR LYS SEQRES 11 B 240 GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SER SEQRES 12 B 240 THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL LYS SEQRES 13 B 240 ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SER SEQRES 14 B 240 GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA VAL SEQRES 15 B 240 LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL VAL SEQRES 16 B 240 THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR ILE SEQRES 17 B 240 CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL ASP SEQRES 18 B 240 LYS ARG VAL GLU PRO LYS SER CYS ASP LYS GLY SER SER SEQRES 19 B 240 LEU GLU VAL LEU PHE GLN SEQRES 1 C 240 GLU VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 C 240 PRO SER GLU THR LEU SER LEU THR CYS SER LEU SER GLY SEQRES 3 C 240 GLY PHE VAL THR ARG ASN SER TYR TYR LEU SER TRP VAL SEQRES 4 C 240 ARG GLN PRO PRO GLY LYS GLY MET GLU TRP ILE GLY TYR SEQRES 5 C 240 VAL HIS HIS SER GLY GLU THR LYS TYR ASN PRO SER LEU SEQRES 6 C 240 LYS SER ARG VAL THR MET SER MET ASP ALA SER LYS ASN SEQRES 7 C 240 GLN PHE SER LEU ARG LEU ARG SER VAL THR ALA ALA ASP SEQRES 8 C 240 THR ALA VAL TYR TYR CYS ALA ARG ASP LEU VAL GLU GLY SEQRES 9 C 240 GLY TYR ILE PRO PHE SER TYR GLY LEU ASP VAL TRP GLY SEQRES 10 C 240 LEU GLY THR THR VAL THR VAL SER GLY ALA SER THR LYS SEQRES 11 C 240 GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SER SEQRES 12 C 240 THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL LYS SEQRES 13 C 240 ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SER SEQRES 14 C 240 GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA VAL SEQRES 15 C 240 LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL VAL SEQRES 16 C 240 THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR ILE SEQRES 17 C 240 CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL ASP SEQRES 18 C 240 LYS ARG VAL GLU PRO LYS SER CYS ASP LYS GLY SER SER SEQRES 19 C 240 LEU GLU VAL LEU PHE GLN SEQRES 1 D 214 ASP ILE GLN LEU THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 D 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 D 214 GLN GLY ILE ARG ASN ASP LEU GLY TRP TYR GLN GLN LYS SEQRES 4 D 214 PRO GLY LYS ALA PRO GLU ARG LEU ILE TYR ALA ALA SER SEQRES 5 D 214 SER SER LEU PRO GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 D 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 D 214 GLN PRO GLU ASP SER ALA THR TYR PHE CYS LEU GLN TYR SEQRES 8 D 214 HIS ASN TYR PRO ARG THR PHE GLY PRO GLY THR LYS VAL SEQRES 9 D 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 D 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 D 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 D 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 D 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 D 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 D 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 D 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 D 214 PHE ASN ARG GLY GLU CYS SEQRES 1 E 240 GLU VAL GLN LEU LEU GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 E 240 PRO SER GLU THR LEU SER LEU THR CYS SER LEU SER GLY SEQRES 3 E 240 GLY PHE VAL THR ARG ASN SER TYR TYR LEU SER TRP VAL SEQRES 4 E 240 ARG GLN PRO PRO GLY LYS GLY MET GLU TRP ILE GLY TYR SEQRES 5 E 240 VAL HIS HIS SER GLY GLU THR LYS TYR ASN PRO SER LEU SEQRES 6 E 240 LYS SER ARG VAL THR MET SER MET ASP ALA SER LYS ASN SEQRES 7 E 240 GLN PHE SER LEU ARG LEU ARG SER VAL THR ALA ALA ASP SEQRES 8 E 240 THR ALA VAL TYR TYR CYS ALA ARG ASP LEU VAL GLU GLY SEQRES 9 E 240 GLY TYR ILE PRO PHE SER TYR GLY LEU ASP VAL TRP GLY SEQRES 10 E 240 LEU GLY THR THR VAL THR VAL SER GLY ALA SER THR LYS SEQRES 11 E 240 GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SER SEQRES 12 E 240 THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL LYS SEQRES 13 E 240 ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SER SEQRES 14 E 240 GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA VAL SEQRES 15 E 240 LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL VAL SEQRES 16 E 240 THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR ILE SEQRES 17 E 240 CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL ASP SEQRES 18 E 240 LYS ARG VAL GLU PRO LYS SER CYS ASP LYS GLY SER SER SEQRES 19 E 240 LEU GLU VAL LEU PHE GLN SEQRES 1 G 514 GLN LYS ILE PRO GLY ASN ASP ASN SER THR ALA THR LEU SEQRES 2 G 514 CYS LEU GLY HIS HIS ALA VAL PRO ASN GLY THR ILE VAL SEQRES 3 G 514 LYS THR ILE THR ASN ASP ARG ILE GLU VAL THR ASN ALA SEQRES 4 G 514 THR GLU LEU VAL GLN ASN SER SER ILE GLY GLU ILE CYS SEQRES 5 G 514 GLY SER PRO HIS GLN ILE LEU ASP GLY GLY ASN CYS THR SEQRES 6 G 514 LEU ILE ASP ALA LEU LEU GLY ASP PRO GLN CYS ASP GLY SEQRES 7 G 514 PHE GLN ASN LYS GLU TRP ASP LEU PHE VAL GLU ARG SER SEQRES 8 G 514 ARG ALA ASN SER ASN CYS TYR PRO TYR ASP VAL PRO ASP SEQRES 9 G 514 TYR ALA SER LEU ARG SER LEU VAL ALA SER SER GLY THR SEQRES 10 G 514 LEU GLU PHE LYS ASN GLU SER PHE ASN TRP THR GLY VAL SEQRES 11 G 514 LYS GLN ASN GLY THR SER SER ALA CYS ILE ARG GLY SER SEQRES 12 G 514 SER SER SER PHE PHE SER ARG LEU ASN TRP LEU THR SER SEQRES 13 G 514 LEU ASN ASN ILE TYR PRO ALA GLN ASN VAL THR MET PRO SEQRES 14 G 514 ASN LYS GLU GLN PHE ASP LYS LEU TYR ILE TRP GLY VAL SEQRES 15 G 514 HIS HIS PRO ASP THR ASP LYS ASN GLN ILE SER LEU PHE SEQRES 16 G 514 ALA GLN SER SER GLY ARG ILE THR VAL SER THR LYS ARG SEQRES 17 G 514 SER GLN GLN ALA VAL ILE PRO ASN ILE GLY SER ARG PRO SEQRES 18 G 514 ARG ILE ARG ASP ILE PRO SER ARG ILE SER ILE TYR TRP SEQRES 19 G 514 THR ILE VAL LYS PRO GLY ASP ILE LEU LEU ILE ASN SER SEQRES 20 G 514 THR GLY ASN LEU ILE ALA PRO ARG GLY TYR PHE LYS ILE SEQRES 21 G 514 ARG SER GLY LYS SER SER ILE MET ARG SER ASP ALA PRO SEQRES 22 G 514 ILE GLY LYS CYS LYS SER GLU CYS ILE THR PRO ASN GLY SEQRES 23 G 514 SER ILE PRO ASN ASP LYS PRO PHE GLN ASN VAL ASN ARG SEQRES 24 G 514 ILE THR TYR GLY ALA CYS PRO ARG TYR VAL LYS GLN SER SEQRES 25 G 514 THR LEU LYS LEU ALA THR GLY MET ARG ASN VAL PRO GLU SEQRES 26 G 514 LYS GLN THR ARG GLY ILE PHE GLY ALA ILE ALA GLY PHE SEQRES 27 G 514 ILE GLU ASN GLY TRP GLU GLY MET VAL ASP GLY TRP TYR SEQRES 28 G 514 GLY PHE ARG TRP GLN ASN SER GLU GLY ARG GLY GLN ALA SEQRES 29 G 514 ALA ASP LEU LYS SER THR GLN ALA ALA ILE ASP GLN ILE SEQRES 30 G 514 ASN GLY ILE LEU ASN ARG LEU ILE GLY LYS THR ASN GLU SEQRES 31 G 514 LYS PHE HIS GLN ILE GLU LYS GLU PHE SER GLU VAL GLU SEQRES 32 G 514 GLY ARG VAL GLN ASP LEU GLU LYS TYR VAL GLU ASP THR SEQRES 33 G 514 LYS ILE ASP LEU TRP SER TYR ASN ALA GLU LEU LEU VAL SEQRES 34 G 514 ALA LEU ILE ASN GLN HIS THR ILE ASP LEU THR ASP SER SEQRES 35 G 514 GLU MET ASN LYS LEU PHE GLU LYS THR LYS LYS GLN LEU SEQRES 36 G 514 ARG GLU ASN ALA GLU ASP MET GLY ASN GLY CYS PHE LYS SEQRES 37 G 514 ILE TYR HIS LYS CYS ASP ASN ALA CYS ILE GLY SER ILE SEQRES 38 G 514 ARG ASN GLU THR TYR ASP HIS ASN VAL TYR ARG ASP GLU SEQRES 39 G 514 ALA LEU ASN ASN ARG PHE GLN ILE LYS GLY ALA GLY SER SEQRES 40 G 514 SER LEU GLU VAL LEU PHE GLN SEQRES 1 H 514 GLN LYS ILE PRO GLY ASN ASP ASN SER THR ALA THR LEU SEQRES 2 H 514 CYS LEU GLY HIS HIS ALA VAL PRO ASN GLY THR ILE VAL SEQRES 3 H 514 LYS THR ILE THR ASN ASP ARG ILE GLU VAL THR ASN ALA SEQRES 4 H 514 THR GLU LEU VAL GLN ASN SER SER ILE GLY GLU ILE CYS SEQRES 5 H 514 GLY SER PRO HIS GLN ILE LEU ASP GLY GLY ASN CYS THR SEQRES 6 H 514 LEU ILE ASP ALA LEU LEU GLY ASP PRO GLN CYS ASP GLY SEQRES 7 H 514 PHE GLN ASN LYS GLU TRP ASP LEU PHE VAL GLU ARG SER SEQRES 8 H 514 ARG ALA ASN SER ASN CYS TYR PRO TYR ASP VAL PRO ASP SEQRES 9 H 514 TYR ALA SER LEU ARG SER LEU VAL ALA SER SER GLY THR SEQRES 10 H 514 LEU GLU PHE LYS ASN GLU SER PHE ASN TRP THR GLY VAL SEQRES 11 H 514 LYS GLN ASN GLY THR SER SER ALA CYS ILE ARG GLY SER SEQRES 12 H 514 SER SER SER PHE PHE SER ARG LEU ASN TRP LEU THR SER SEQRES 13 H 514 LEU ASN ASN ILE TYR PRO ALA GLN ASN VAL THR MET PRO SEQRES 14 H 514 ASN LYS GLU GLN PHE ASP LYS LEU TYR ILE TRP GLY VAL SEQRES 15 H 514 HIS HIS PRO ASP THR ASP LYS ASN GLN ILE SER LEU PHE SEQRES 16 H 514 ALA GLN SER SER GLY ARG ILE THR VAL SER THR LYS ARG SEQRES 17 H 514 SER GLN GLN ALA VAL ILE PRO ASN ILE GLY SER ARG PRO SEQRES 18 H 514 ARG ILE ARG ASP ILE PRO SER ARG ILE SER ILE TYR TRP SEQRES 19 H 514 THR ILE VAL LYS PRO GLY ASP ILE LEU LEU ILE ASN SER SEQRES 20 H 514 THR GLY ASN LEU ILE ALA PRO ARG GLY TYR PHE LYS ILE SEQRES 21 H 514 ARG SER GLY LYS SER SER ILE MET ARG SER ASP ALA PRO SEQRES 22 H 514 ILE GLY LYS CYS LYS SER GLU CYS ILE THR PRO ASN GLY SEQRES 23 H 514 SER ILE PRO ASN ASP LYS PRO PHE GLN ASN VAL ASN ARG SEQRES 24 H 514 ILE THR TYR GLY ALA CYS PRO ARG TYR VAL LYS GLN SER SEQRES 25 H 514 THR LEU LYS LEU ALA THR GLY MET ARG ASN VAL PRO GLU SEQRES 26 H 514 LYS GLN THR ARG GLY ILE PHE GLY ALA ILE ALA GLY PHE SEQRES 27 H 514 ILE GLU ASN GLY TRP GLU GLY MET VAL ASP GLY TRP TYR SEQRES 28 H 514 GLY PHE ARG TRP GLN ASN SER GLU GLY ARG GLY GLN ALA SEQRES 29 H 514 ALA ASP LEU LYS SER THR GLN ALA ALA ILE ASP GLN ILE SEQRES 30 H 514 ASN GLY ILE LEU ASN ARG LEU ILE GLY LYS THR ASN GLU SEQRES 31 H 514 LYS PHE HIS GLN ILE GLU LYS GLU PHE SER GLU VAL GLU SEQRES 32 H 514 GLY ARG VAL GLN ASP LEU GLU LYS TYR VAL GLU ASP THR SEQRES 33 H 514 LYS ILE ASP LEU TRP SER TYR ASN ALA GLU LEU LEU VAL SEQRES 34 H 514 ALA LEU ILE ASN GLN HIS THR ILE ASP LEU THR ASP SER SEQRES 35 H 514 GLU MET ASN LYS LEU PHE GLU LYS THR LYS LYS GLN LEU SEQRES 36 H 514 ARG GLU ASN ALA GLU ASP MET GLY ASN GLY CYS PHE LYS SEQRES 37 H 514 ILE TYR HIS LYS CYS ASP ASN ALA CYS ILE GLY SER ILE SEQRES 38 H 514 ARG ASN GLU THR TYR ASP HIS ASN VAL TYR ARG ASP GLU SEQRES 39 H 514 ALA LEU ASN ASN ARG PHE GLN ILE LYS GLY ALA GLY SER SEQRES 40 H 514 SER LEU GLU VAL LEU PHE GLN SEQRES 1 I 214 ASP ILE GLN LEU THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 I 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 I 214 GLN GLY ILE ARG ASN ASP LEU GLY TRP TYR GLN GLN LYS SEQRES 4 I 214 PRO GLY LYS ALA PRO GLU ARG LEU ILE TYR ALA ALA SER SEQRES 5 I 214 SER SER LEU PRO GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 I 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 I 214 GLN PRO GLU ASP SER ALA THR TYR PHE CYS LEU GLN TYR SEQRES 8 I 214 HIS ASN TYR PRO ARG THR PHE GLY PRO GLY THR LYS VAL SEQRES 9 I 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 I 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 I 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 I 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 I 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 I 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 I 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 I 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 I 214 PHE ASN ARG GLY GLU CYS SEQRES 1 J 214 ASP ILE GLN LEU THR GLN SER PRO SER SER LEU SER ALA SEQRES 2 J 214 SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA SER SEQRES 3 J 214 GLN GLY ILE ARG ASN ASP LEU GLY TRP TYR GLN GLN LYS SEQRES 4 J 214 PRO GLY LYS ALA PRO GLU ARG LEU ILE TYR ALA ALA SER SEQRES 5 J 214 SER SER LEU PRO GLY VAL PRO SER ARG PHE ARG GLY SER SEQRES 6 J 214 GLY SER GLY THR GLU PHE THR LEU THR ILE SER SER LEU SEQRES 7 J 214 GLN PRO GLU ASP SER ALA THR TYR PHE CYS LEU GLN TYR SEQRES 8 J 214 HIS ASN TYR PRO ARG THR PHE GLY PRO GLY THR LYS VAL SEQRES 9 J 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 J 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 J 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 J 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 J 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 J 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 J 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 J 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 J 214 PHE ASN ARG GLY GLU CYS HET NAG F 1 14 HET NAG F 2 14 HET BMA F 3 11 HET MAN F 4 11 HET NAG K 1 14 HET NAG K 2 14 HET NAG L 1 14 HET NAG L 2 14 HET BMA L 3 11 HET NAG M 1 14 HET NAG M 2 14 HET BMA M 3 11 HET MAN M 4 11 HET NAG N 1 14 HET NAG N 2 14 HET NAG O 1 14 HET NAG O 2 14 HET NAG P 1 14 HET NAG P 2 14 HET NAG Q 1 14 HET NAG Q 2 14 HET NAG R 1 14 HET NAG R 2 14 HET BMA R 3 11 HET MAN R 4 11 HET NAG A 601 14 HET NAG A 602 14 HET NAG A 603 14 HET NAG A 604 14 HET NAG A 605 14 HET NAG G 601 14 HET NAG G 602 14 HET NAG G 603 14 HET NAG G 604 14 HET NAG G 605 14 HET NAG G 606 14 HET NAG H 601 14 HET NAG H 602 14 HET NAG H 603 14 HET NAG H 604 14 HET NAG H 605 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETNAM BMA BETA-D-MANNOPYRANOSE HETNAM MAN ALPHA-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 HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE FORMUL 10 NAG 34(C8 H15 N O6) FORMUL 10 BMA 4(C6 H12 O6) FORMUL 10 MAN 3(C6 H12 O6) HELIX 1 AA1 THR A 65 GLY A 72 1 8 HELIX 2 AA2 ASP A 73 GLN A 80 5 8 HELIX 3 AA3 ASP A 104 GLY A 116 1 13 HELIX 4 AA4 THR A 187 ALA A 196 1 10 HELIX 5 AA5 LEU A 367 ILE A 385 1 19 HELIX 6 AA6 GLY A 404 LEU A 455 1 52 HELIX 7 AA7 ASP A 474 GLU A 484 1 11 HELIX 8 AA8 TYR A 491 PHE A 500 1 10 HELIX 9 AA9 THR B 88 THR B 92 5 5 HELIX 10 AB1 THR C 88 THR C 92 5 5 HELIX 11 AB2 THR E 88 THR E 92 5 5 HELIX 12 AB3 THR G 65 GLY G 72 1 8 HELIX 13 AB4 ASP G 73 GLN G 80 5 8 HELIX 14 AB5 ASP G 104 GLY G 116 1 13 HELIX 15 AB6 THR G 187 ALA G 196 1 10 HELIX 16 AB7 LEU G 367 ILE G 385 1 19 HELIX 17 AB8 GLY G 404 LEU G 455 1 52 HELIX 18 AB9 ASP G 474 GLU G 484 1 11 HELIX 19 AC1 TYR G 491 PHE G 500 1 10 HELIX 20 AC2 THR H 65 GLY H 72 1 8 HELIX 21 AC3 ASP H 73 GLN H 80 5 8 HELIX 22 AC4 ASP H 104 GLY H 116 1 13 HELIX 23 AC5 THR H 187 ALA H 196 1 10 HELIX 24 AC6 ASP H 366 ARG H 383 1 18 HELIX 25 AC7 GLY H 404 LEU H 455 1 52 HELIX 26 AC8 ASP H 474 GLU H 484 1 11 HELIX 27 AC9 TYR H 491 PHE H 500 1 10 SHEET 1 AA1 5 GLY A 360 ASP A 366 0 SHEET 2 AA1 5 TYR A 351 ASN A 357 -1 N TYR A 351 O ASP A 366 SHEET 3 AA1 5 ALA A 11 HIS A 17 -1 N CYS A 14 O ARG A 354 SHEET 4 AA1 5 CYS A 466 ILE A 469 -1 O ILE A 469 N ALA A 11 SHEET 5 AA1 5 ALA A 459 MET A 462 -1 N GLU A 460 O LYS A 468 SHEET 1 AA2 2 THR A 24 VAL A 26 0 SHEET 2 AA2 2 ILE A 34 VAL A 36 -1 O VAL A 36 N THR A 24 SHEET 1 AA3 2 ALA A 39 GLU A 41 0 SHEET 2 AA3 2 LYS A 315 ALA A 317 -1 O LEU A 316 N THR A 40 SHEET 1 AA4 3 VAL A 43 GLN A 44 0 SHEET 2 AA4 3 PHE A 294 GLN A 295 1 O PHE A 294 N GLN A 44 SHEET 3 AA4 3 ARG A 307 TYR A 308 1 O ARG A 307 N GLN A 295 SHEET 1 AA5 3 ILE A 58 GLY A 61 0 SHEET 2 AA5 3 LEU A 86 GLU A 89 1 O VAL A 88 N LEU A 59 SHEET 3 AA5 3 SER A 266 ARG A 269 1 O MET A 268 N GLU A 89 SHEET 1 AA6 5 TYR A 100 ASP A 101 0 SHEET 2 AA6 5 ARG A 229 VAL A 237 1 O ILE A 230 N ASP A 101 SHEET 3 AA6 5 LYS A 176 HIS A 184 -1 N TYR A 178 O THR A 235 SHEET 4 AA6 5 GLY A 256 LYS A 259 -1 O PHE A 258 N LEU A 177 SHEET 5 AA6 5 PHE A 120 ASN A 122 -1 N LYS A 121 O TYR A 257 SHEET 1 AA7 5 TYR A 100 ASP A 101 0 SHEET 2 AA7 5 ARG A 229 VAL A 237 1 O ILE A 230 N ASP A 101 SHEET 3 AA7 5 LYS A 176 HIS A 184 -1 N TYR A 178 O THR A 235 SHEET 4 AA7 5 LEU A 251 PRO A 254 -1 O ILE A 252 N GLY A 181 SHEET 5 AA7 5 LEU A 151 TRP A 153 -1 N ASN A 152 O ALA A 253 SHEET 1 AA8 2 SER A 136 ARG A 141 0 SHEET 2 AA8 2 SER A 144 SER A 146 -1 O SER A 146 N CYS A 139 SHEET 1 AA9 4 GLN A 164 PRO A 169 0 SHEET 2 AA9 4 ILE A 242 SER A 247 -1 O ILE A 245 N VAL A 166 SHEET 3 AA9 4 ILE A 202 SER A 205 -1 N SER A 205 O LEU A 244 SHEET 4 AA9 4 GLN A 210 VAL A 213 -1 O GLN A 211 N VAL A 204 SHEET 1 AB1 3 GLY A 286 SER A 287 0 SHEET 2 AB1 3 CYS A 281 THR A 283 -1 N THR A 283 O GLY A 286 SHEET 3 AB1 3 TYR A 302 GLY A 303 -1 O TYR A 302 N ILE A 282 SHEET 1 AB2 4 GLN B 3 SER B 7 0 SHEET 2 AB2 4 LEU B 18 SER B 25 -1 O SER B 23 N LEU B 5 SHEET 3 AB2 4 GLN B 79 LEU B 84 -1 O LEU B 84 N LEU B 18 SHEET 4 AB2 4 VAL B 69 ASP B 74 -1 N THR B 70 O ARG B 83 SHEET 1 AB3 6 LEU B 11 VAL B 12 0 SHEET 2 AB3 6 THR B 120 VAL B 124 1 O THR B 123 N VAL B 12 SHEET 3 AB3 6 ALA B 93 GLU B 103 -1 N TYR B 95 O THR B 120 SHEET 4 AB3 6 TYR B 34 GLN B 41 -1 N VAL B 39 O TYR B 96 SHEET 5 AB3 6 GLU B 48 VAL B 53 -1 O GLU B 48 N ARG B 40 SHEET 6 AB3 6 THR B 59 TYR B 61 -1 O LYS B 60 N TYR B 52 SHEET 1 AB4 4 LEU B 11 VAL B 12 0 SHEET 2 AB4 4 THR B 120 VAL B 124 1 O THR B 123 N VAL B 12 SHEET 3 AB4 4 ALA B 93 GLU B 103 -1 N TYR B 95 O THR B 120 SHEET 4 AB4 4 PHE B 109 VAL B 115 -1 O VAL B 115 N ARG B 99 SHEET 1 AB5 4 GLN C 3 SER C 7 0 SHEET 2 AB5 4 LEU C 18 SER C 25 -1 O SER C 23 N LEU C 5 SHEET 3 AB5 4 GLN C 79 LEU C 84 -1 O LEU C 82 N LEU C 20 SHEET 4 AB5 4 VAL C 69 ASP C 74 -1 N ASP C 74 O GLN C 79 SHEET 1 AB6 5 THR C 59 TYR C 61 0 SHEET 2 AB6 5 GLU C 48 VAL C 53 -1 N TYR C 52 O LYS C 60 SHEET 3 AB6 5 TYR C 34 GLN C 41 -1 N ARG C 40 O GLU C 48 SHEET 4 AB6 5 ALA C 93 GLU C 103 -1 O TYR C 96 N VAL C 39 SHEET 5 AB6 5 PHE C 109 TRP C 116 -1 O TYR C 111 N LEU C 101 SHEET 1 AB7 5 THR C 59 TYR C 61 0 SHEET 2 AB7 5 GLU C 48 VAL C 53 -1 N TYR C 52 O LYS C 60 SHEET 3 AB7 5 TYR C 34 GLN C 41 -1 N ARG C 40 O GLU C 48 SHEET 4 AB7 5 ALA C 93 GLU C 103 -1 O TYR C 96 N VAL C 39 SHEET 5 AB7 5 THR C 120 VAL C 122 -1 O THR C 120 N TYR C 95 SHEET 1 AB8 4 LEU D 4 GLN D 6 0 SHEET 2 AB8 4 VAL D 19 ALA D 25 -1 O ARG D 24 N THR D 5 SHEET 3 AB8 4 GLU D 70 ILE D 75 -1 O PHE D 71 N CYS D 23 SHEET 4 AB8 4 PHE D 62 SER D 67 -1 N SER D 67 O GLU D 70 SHEET 1 AB9 4 GLU D 45 ILE D 48 0 SHEET 2 AB9 4 LEU D 33 GLN D 38 -1 N GLN D 37 O GLU D 45 SHEET 3 AB9 4 THR D 85 GLN D 90 -1 O THR D 85 N GLN D 38 SHEET 4 AB9 4 THR D 102 LYS D 103 -1 O THR D 102 N TYR D 86 SHEET 1 AC1 4 GLN E 3 SER E 7 0 SHEET 2 AC1 4 LEU E 18 SER E 25 -1 O SER E 23 N LEU E 5 SHEET 3 AC1 4 GLN E 79 LEU E 84 -1 O PHE E 80 N CYS E 22 SHEET 4 AC1 4 VAL E 69 ASP E 74 -1 N SER E 72 O SER E 81 SHEET 1 AC2 6 LEU E 11 VAL E 12 0 SHEET 2 AC2 6 THR E 120 VAL E 124 1 O THR E 123 N VAL E 12 SHEET 3 AC2 6 ALA E 93 GLU E 103 -1 N TYR E 95 O THR E 120 SHEET 4 AC2 6 TYR E 34 GLN E 41 -1 N VAL E 39 O TYR E 96 SHEET 5 AC2 6 GLU E 48 VAL E 53 -1 O GLU E 48 N ARG E 40 SHEET 6 AC2 6 THR E 59 TYR E 61 -1 O LYS E 60 N TYR E 52 SHEET 1 AC3 4 LEU E 11 VAL E 12 0 SHEET 2 AC3 4 THR E 120 VAL E 124 1 O THR E 123 N VAL E 12 SHEET 3 AC3 4 ALA E 93 GLU E 103 -1 N TYR E 95 O THR E 120 SHEET 4 AC3 4 PHE E 109 TRP E 116 -1 O PHE E 109 N GLU E 103 SHEET 1 AC4 5 ARG G 361 ASP G 366 0 SHEET 2 AC4 5 TYR G 351 GLN G 356 -1 N TYR G 351 O ASP G 366 SHEET 3 AC4 5 ALA G 11 HIS G 17 -1 N CYS G 14 O ARG G 354 SHEET 4 AC4 5 CYS G 466 ILE G 469 -1 O PHE G 467 N LEU G 13 SHEET 5 AC4 5 ALA G 459 MET G 462 -1 N GLU G 460 O LYS G 468 SHEET 1 AC5 2 THR G 24 VAL G 26 0 SHEET 2 AC5 2 ILE G 34 VAL G 36 -1 O VAL G 36 N THR G 24 SHEET 1 AC6 2 ALA G 39 GLU G 41 0 SHEET 2 AC6 2 LYS G 315 ALA G 317 -1 O LEU G 316 N THR G 40 SHEET 1 AC7 3 VAL G 43 GLN G 44 0 SHEET 2 AC7 3 PHE G 294 GLN G 295 1 O PHE G 294 N GLN G 44 SHEET 3 AC7 3 ARG G 307 TYR G 308 1 O ARG G 307 N GLN G 295 SHEET 1 AC8 2 ILE G 51 CYS G 52 0 SHEET 2 AC8 2 ILE G 274 GLY G 275 1 O GLY G 275 N ILE G 51 SHEET 1 AC9 3 ILE G 58 ASP G 60 0 SHEET 2 AC9 3 LEU G 86 GLU G 89 1 O VAL G 88 N LEU G 59 SHEET 3 AC9 3 SER G 266 ARG G 269 1 O MET G 268 N GLU G 89 SHEET 1 AD1 5 PHE G 120 ASN G 122 0 SHEET 2 AD1 5 GLY G 256 LYS G 259 -1 O TYR G 257 N LYS G 121 SHEET 3 AD1 5 LYS G 176 HIS G 184 -1 N LEU G 177 O PHE G 258 SHEET 4 AD1 5 LEU G 251 PRO G 254 -1 O ILE G 252 N GLY G 181 SHEET 5 AD1 5 LEU G 151 TRP G 153 -1 N ASN G 152 O ALA G 253 SHEET 1 AD2 4 PHE G 120 ASN G 122 0 SHEET 2 AD2 4 GLY G 256 LYS G 259 -1 O TYR G 257 N LYS G 121 SHEET 3 AD2 4 LYS G 176 HIS G 184 -1 N LEU G 177 O PHE G 258 SHEET 4 AD2 4 ARG G 229 VAL G 237 -1 O ARG G 229 N HIS G 184 SHEET 1 AD3 2 SER G 136 ARG G 141 0 SHEET 2 AD3 2 SER G 144 SER G 146 -1 O SER G 146 N CYS G 139 SHEET 1 AD4 4 GLN G 164 PRO G 169 0 SHEET 2 AD4 4 ILE G 242 SER G 247 -1 O SER G 247 N GLN G 164 SHEET 3 AD4 4 ILE G 202 SER G 205 -1 N SER G 205 O LEU G 244 SHEET 4 AD4 4 GLN G 210 VAL G 213 -1 O GLN G 211 N VAL G 204 SHEET 1 AD5 3 GLY G 286 SER G 287 0 SHEET 2 AD5 3 CYS G 281 THR G 283 -1 N THR G 283 O GLY G 286 SHEET 3 AD5 3 TYR G 302 GLY G 303 -1 O TYR G 302 N ILE G 282 SHEET 1 AD6 5 GLY H 360 ALA H 365 0 SHEET 2 AD6 5 TYR H 351 ASN H 357 -1 N ASN H 357 O GLY H 360 SHEET 3 AD6 5 ALA H 11 HIS H 17 -1 N CYS H 14 O ARG H 354 SHEET 4 AD6 5 CYS H 466 ILE H 469 -1 O PHE H 467 N LEU H 13 SHEET 5 AD6 5 ALA H 459 ASP H 461 -1 N GLU H 460 O LYS H 468 SHEET 1 AD7 2 THR H 24 VAL H 26 0 SHEET 2 AD7 2 ILE H 34 VAL H 36 -1 O VAL H 36 N THR H 24 SHEET 1 AD8 2 ALA H 39 GLU H 41 0 SHEET 2 AD8 2 LYS H 315 ALA H 317 -1 O LEU H 316 N THR H 40 SHEET 1 AD9 3 VAL H 43 GLN H 44 0 SHEET 2 AD9 3 PHE H 294 GLN H 295 1 O PHE H 294 N GLN H 44 SHEET 3 AD9 3 ARG H 307 TYR H 308 1 O ARG H 307 N GLN H 295 SHEET 1 AE1 2 ILE H 51 CYS H 52 0 SHEET 2 AE1 2 ILE H 274 GLY H 275 1 O GLY H 275 N ILE H 51 SHEET 1 AE2 3 ILE H 58 GLY H 61 0 SHEET 2 AE2 3 LEU H 86 GLU H 89 1 O VAL H 88 N LEU H 59 SHEET 3 AE2 3 SER H 266 ARG H 269 1 O MET H 268 N GLU H 89 SHEET 1 AE3 5 TYR H 100 ASP H 101 0 SHEET 2 AE3 5 ARG H 229 VAL H 237 1 O ILE H 230 N ASP H 101 SHEET 3 AE3 5 LYS H 176 HIS H 184 -1 N HIS H 184 O ARG H 229 SHEET 4 AE3 5 GLY H 256 LYS H 259 -1 O PHE H 258 N LEU H 177 SHEET 5 AE3 5 PHE H 120 ASN H 122 -1 N LYS H 121 O TYR H 257 SHEET 1 AE4 5 TYR H 100 ASP H 101 0 SHEET 2 AE4 5 ARG H 229 VAL H 237 1 O ILE H 230 N ASP H 101 SHEET 3 AE4 5 LYS H 176 HIS H 184 -1 N HIS H 184 O ARG H 229 SHEET 4 AE4 5 LEU H 251 PRO H 254 -1 O ILE H 252 N GLY H 181 SHEET 5 AE4 5 LEU H 151 TRP H 153 -1 N ASN H 152 O ALA H 253 SHEET 1 AE5 2 SER H 136 ARG H 141 0 SHEET 2 AE5 2 SER H 144 SER H 146 -1 O SER H 146 N CYS H 139 SHEET 1 AE6 4 VAL H 166 PRO H 169 0 SHEET 2 AE6 4 ILE H 242 SER H 247 -1 O LEU H 243 N MET H 168 SHEET 3 AE6 4 ILE H 202 SER H 205 -1 N THR H 203 O ASN H 246 SHEET 4 AE6 4 GLN H 210 VAL H 213 -1 O GLN H 211 N VAL H 204 SHEET 1 AE7 3 CYS H 281 ILE H 282 0 SHEET 2 AE7 3 TYR H 302 ALA H 304 -1 O TYR H 302 N ILE H 282 SHEET 3 AE7 3 GLU H 390 LYS H 391 -1 O LYS H 391 N GLY H 303 SHEET 1 AE8 4 LEU I 4 GLN I 6 0 SHEET 2 AE8 4 VAL I 19 ALA I 25 -1 O ARG I 24 N THR I 5 SHEET 3 AE8 4 GLU I 70 ILE I 75 -1 O ILE I 75 N VAL I 19 SHEET 4 AE8 4 PHE I 62 SER I 67 -1 N SER I 67 O GLU I 70 SHEET 1 AE9 4 GLU I 45 ILE I 48 0 SHEET 2 AE9 4 GLY I 34 GLN I 38 -1 N GLN I 37 O GLU I 45 SHEET 3 AE9 4 THR I 85 LEU I 89 -1 O THR I 85 N GLN I 38 SHEET 4 AE9 4 THR I 102 LYS I 103 -1 O THR I 102 N TYR I 86 SHEET 1 AF1 4 THR J 5 GLN J 6 0 SHEET 2 AF1 4 VAL J 19 ARG J 24 -1 O ARG J 24 N THR J 5 SHEET 3 AF1 4 GLU J 70 ILE J 75 -1 O PHE J 71 N CYS J 23 SHEET 4 AF1 4 PHE J 62 SER J 67 -1 N SER J 67 O GLU J 70 SHEET 1 AF2 4 GLU J 45 TYR J 49 0 SHEET 2 AF2 4 LEU J 33 GLN J 38 -1 N GLN J 37 O GLU J 45 SHEET 3 AF2 4 THR J 85 GLN J 90 -1 O THR J 85 N GLN J 38 SHEET 4 AF2 4 THR J 102 LYS J 103 -1 O THR J 102 N TYR J 86 SSBOND 1 CYS A 14 CYS A 466 1555 1555 2.03 SSBOND 2 CYS A 52 CYS A 277 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 76 1555 1555 2.03 SSBOND 4 CYS A 97 CYS A 139 1555 1555 2.03 SSBOND 5 CYS A 281 CYS A 305 1555 1555 2.03 SSBOND 6 CYS B 22 CYS B 97 1555 1555 2.04 SSBOND 7 CYS C 22 CYS C 97 1555 1555 2.04 SSBOND 8 CYS D 23 CYS D 88 1555 1555 2.04 SSBOND 9 CYS E 22 CYS E 97 1555 1555 2.03 SSBOND 10 CYS G 14 CYS G 466 1555 1555 2.03 SSBOND 11 CYS G 64 CYS G 76 1555 1555 2.03 SSBOND 12 CYS G 97 CYS G 139 1555 1555 2.03 SSBOND 13 CYS G 281 CYS G 305 1555 1555 2.03 SSBOND 14 CYS H 14 CYS H 466 1555 1555 2.03 SSBOND 15 CYS H 52 CYS H 277 1555 1555 2.03 SSBOND 16 CYS H 64 CYS H 76 1555 1555 2.03 SSBOND 17 CYS H 97 CYS H 139 1555 1555 2.03 SSBOND 18 CYS H 281 CYS H 305 1555 1555 2.03 SSBOND 19 CYS I 23 CYS I 88 1555 1555 2.04 SSBOND 20 CYS J 23 CYS J 88 1555 1555 2.04 LINK ND2 ASN A 22 C1 NAG A 601 1555 1555 1.44 LINK ND2 ASN A 38 C1 NAG A 602 1555 1555 1.44 LINK ND2 ASN A 63 C1 NAG A 605 1555 1555 1.44 LINK ND2 ASN A 133 C1 NAG A 604 1555 1555 1.44 LINK ND2 ASN A 165 C1 NAG F 1 1555 1555 1.44 LINK ND2 ASN A 246 C1 NAG K 1 1555 1555 1.44 LINK ND2 ASN A 285 C1 NAG L 1 1555 1555 1.44 LINK ND2 ASN A 483 C1 NAG A 603 1555 1555 1.44 LINK ND2 ASN G 22 C1 NAG G 603 1555 1555 1.44 LINK ND2 ASN G 38 C1 NAG G 602 1555 1555 1.44 LINK ND2 ASN G 63 C1 NAG G 605 1555 1555 1.44 LINK ND2 ASN G 133 C1 NAG G 604 1555 1555 1.44 LINK ND2 ASN G 165 C1 NAG M 1 1555 1555 1.44 LINK ND2 ASN G 246 C1 NAG N 1 1555 1555 1.44 LINK ND2 ASN G 285 C1 NAG G 606 1555 1555 1.45 LINK ND2 ASN G 483 C1 NAG G 601 1555 1555 1.44 LINK ND2 ASN H 22 C1 NAG H 601 1555 1555 1.44 LINK ND2 ASN H 38 C1 NAG H 602 1555 1555 1.44 LINK ND2 ASN H 63 C1 NAG P 1 1555 1555 1.44 LINK ND2 ASN H 126 C1 NAG H 605 1555 1555 1.44 LINK ND2 ASN H 133 C1 NAG H 604 1555 1555 1.44 LINK ND2 ASN H 165 C1 NAG R 1 1555 1555 1.44 LINK ND2 ASN H 246 C1 NAG Q 1 1555 1555 1.44 LINK ND2 ASN H 285 C1 NAG O 1 1555 1555 1.44 LINK ND2 ASN H 483 C1 NAG H 603 1555 1555 1.44 LINK O4 NAG F 1 C1 NAG F 2 1555 1555 1.44 LINK O4 NAG F 2 C1 BMA F 3 1555 1555 1.44 LINK O3 BMA F 3 C1 MAN F 4 1555 1555 1.45 LINK O4 NAG K 1 C1 NAG K 2 1555 1555 1.44 LINK O4 NAG L 1 C1 NAG L 2 1555 1555 1.45 LINK O4 NAG L 2 C1 BMA L 3 1555 1555 1.45 LINK O4 NAG M 1 C1 NAG M 2 1555 1555 1.44 LINK O4 NAG M 2 C1 BMA M 3 1555 1555 1.44 LINK O3 BMA M 3 C1 MAN M 4 1555 1555 1.45 LINK O4 NAG N 1 C1 NAG N 2 1555 1555 1.44 LINK O4 NAG O 1 C1 NAG O 2 1555 1555 1.45 LINK O4 NAG P 1 C1 NAG P 2 1555 1555 1.46 LINK O4 NAG Q 1 C1 NAG Q 2 1555 1555 1.44 LINK O4 NAG R 1 C1 NAG R 2 1555 1555 1.44 LINK O4 NAG R 2 C1 BMA R 3 1555 1555 1.44 LINK O3 BMA R 3 C1 MAN R 4 1555 1555 1.45 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