HEADER VIRAL PROTEIN/IMMUNE SYSTEM 18-FEB-22 7U0Q TITLE SARS-COV2 S PROTEIN STRUCTURE IN COMPLEX WITH NEUTRALIZING MONOCLONAL TITLE 2 ANTIBODY 002-02 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPIKE GLYCOPROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 SYNONYM: S GLYCOPROTEIN,E2,PEPLOMER PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: MAB 002-02 LIGHT CHAIN; COMPND 8 CHAIN: F, I; COMPND 9 ENGINEERED: YES; COMPND 10 MOL_ID: 3; COMPND 11 MOLECULE: MAB 002-02 HEAVY CHAIN; COMPND 12 CHAIN: G, J; COMPND 13 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS SOURCE 3 2; SOURCE 4 ORGANISM_COMMON: 2019-NCOV, SARS-COV-2; SOURCE 5 ORGANISM_TAXID: 2697049; SOURCE 6 GENE: S, 2; SOURCE 7 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 8 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 10 EXPRESSION_SYSTEM_CELL_LINE: FREESTYLE 293F; SOURCE 11 MOL_ID: 2; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_COMMON: HUMAN; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 16 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 17 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 18 EXPRESSION_SYSTEM_CELL_LINE: EXPI 293; SOURCE 19 MOL_ID: 3; SOURCE 20 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 21 ORGANISM_COMMON: HUMAN; SOURCE 22 ORGANISM_TAXID: 9606; SOURCE 23 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 24 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 25 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 26 EXPRESSION_SYSTEM_CELL_LINE: EXPI 293 KEYWDS SARS-COV2 6P SPIKE PROTEIN, IMMUNE COMPLEX, VIRAL PROTEIN, VIRAL KEYWDS 2 PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR A.PATEL,E.ORTLUND JRNL AUTH A.PATEL,E.ORTLUND JRNL TITL SARS-COV2 S PROTEIN STRUCTURE IN COMPLEX WITH NEUTRALIZING JRNL TITL 2 MONOCLONAL ANTIBODY 002-02 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.86 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC, CRYOSPARC, UCSF CHIMERAX, REMARK 3 CRYOSPARC, CRYOSPARC, CRYOSPARC, REMARK 3 CRYOSPARC, 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 : REAL REMARK 3 REFINEMENT PROTOCOL : RIGID BODY FIT REMARK 3 REFINEMENT TARGET : CORRELATION COEFFICIENT 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) : 3.860 REMARK 3 NUMBER OF PARTICLES : 452356 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 7U0Q COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB. REMARK 100 THE DEPOSITION ID IS D_1000263296. 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 : COV2 SPIKE TIMER IN COMPLEX REMARK 245 WITH MONOCLONAL ANTIBODY; SPIKE REMARK 245 GLYCOPROTEIN; MAB 002-02 LIGHT REMARK 245 CHAIN, MAB 002-02 HEAVY CHAIN REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 0.70 REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : 20 SECOND WAIT TIME AND 3 REMARK 245 SECONDS BLOT TIME REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.40 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : 7815 REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 600.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2700.00 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) : 63.81 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 81000 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: HEPTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, F, G, I, J, D, E, H, REMARK 350 AND CHAINS: K, L, M, N, O, P, Q, R, S, REMARK 350 AND CHAINS: T, U, V REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 PHE A 2 REMARK 465 VAL A 3 REMARK 465 PHE A 4 REMARK 465 LEU A 5 REMARK 465 VAL A 6 REMARK 465 LEU A 7 REMARK 465 LEU A 8 REMARK 465 PRO A 9 REMARK 465 LEU A 10 REMARK 465 VAL A 11 REMARK 465 SER A 12 REMARK 465 SER A 13 REMARK 465 SER A 71 REMARK 465 GLY A 72 REMARK 465 THR A 73 REMARK 465 ASN A 74 REMARK 465 GLY A 75 REMARK 465 PHE A 543 REMARK 465 ILE A 624 REMARK 465 HIS A 625 REMARK 465 ALA A 626 REMARK 465 ASP A 627 REMARK 465 GLN A 628 REMARK 465 LEU A 629 REMARK 465 THR A 630 REMARK 465 PRO A 631 REMARK 465 THR A 632 REMARK 465 THR A 676 REMARK 465 GLN A 677 REMARK 465 THR A 678 REMARK 465 ASN A 679 REMARK 465 SER A 680 REMARK 465 PRO A 681 REMARK 465 GLY A 682 REMARK 465 SER A 683 REMARK 465 ALA A 684 REMARK 465 SER A 685 REMARK 465 SER A 686 REMARK 465 VAL A 687 REMARK 465 ALA A 688 REMARK 465 SER A 689 REMARK 465 ALA A 829 REMARK 465 ASP A 830 REMARK 465 ALA A 831 REMARK 465 GLY A 832 REMARK 465 PHE A 833 REMARK 465 ILE A 834 REMARK 465 LYS A 835 REMARK 465 GLN A 836 REMARK 465 TYR A 837 REMARK 465 GLY A 838 REMARK 465 ASP A 839 REMARK 465 CYS A 840 REMARK 465 LEU A 841 REMARK 465 GLY A 842 REMARK 465 ASP A 843 REMARK 465 ILE A 844 REMARK 465 ALA A 845 REMARK 465 ALA A 846 REMARK 465 ARG A 847 REMARK 465 ASP A 848 REMARK 465 LEU A 849 REMARK 465 ILE A 850 REMARK 465 CYS A 851 REMARK 465 GLU A 1150 REMARK 465 GLU A 1151 REMARK 465 LEU A 1152 REMARK 465 ASP A 1153 REMARK 465 LYS A 1154 REMARK 465 TYR A 1155 REMARK 465 PHE A 1156 REMARK 465 LYS A 1157 REMARK 465 ASN A 1158 REMARK 465 HIS A 1159 REMARK 465 THR A 1160 REMARK 465 SER A 1161 REMARK 465 PRO A 1162 REMARK 465 ASP A 1163 REMARK 465 VAL A 1164 REMARK 465 ASP A 1165 REMARK 465 LEU A 1166 REMARK 465 GLY A 1167 REMARK 465 ASP A 1168 REMARK 465 ILE A 1169 REMARK 465 SER A 1170 REMARK 465 GLY A 1171 REMARK 465 ILE A 1172 REMARK 465 ASN A 1173 REMARK 465 ALA A 1174 REMARK 465 SER A 1175 REMARK 465 VAL A 1176 REMARK 465 VAL A 1177 REMARK 465 ASN A 1178 REMARK 465 ILE A 1179 REMARK 465 GLN A 1180 REMARK 465 LYS A 1181 REMARK 465 GLU A 1182 REMARK 465 ILE A 1183 REMARK 465 ASP A 1184 REMARK 465 ARG A 1185 REMARK 465 LEU A 1186 REMARK 465 ASN A 1187 REMARK 465 GLU A 1188 REMARK 465 VAL A 1189 REMARK 465 ALA A 1190 REMARK 465 LYS A 1191 REMARK 465 ASN A 1192 REMARK 465 LEU A 1193 REMARK 465 ASN A 1194 REMARK 465 GLU A 1195 REMARK 465 SER A 1196 REMARK 465 LEU A 1197 REMARK 465 ILE A 1198 REMARK 465 ASP A 1199 REMARK 465 LEU A 1200 REMARK 465 GLN A 1201 REMARK 465 GLU A 1202 REMARK 465 LEU A 1203 REMARK 465 GLY A 1204 REMARK 465 LYS A 1205 REMARK 465 TYR A 1206 REMARK 465 GLU A 1207 REMARK 465 GLN A 1208 REMARK 465 MET B 1 REMARK 465 PHE B 2 REMARK 465 VAL B 3 REMARK 465 PHE B 4 REMARK 465 LEU B 5 REMARK 465 VAL B 6 REMARK 465 LEU B 7 REMARK 465 LEU B 8 REMARK 465 PRO B 9 REMARK 465 LEU B 10 REMARK 465 VAL B 11 REMARK 465 SER B 12 REMARK 465 SER B 13 REMARK 465 SER B 71 REMARK 465 GLY B 72 REMARK 465 THR B 73 REMARK 465 ASN B 74 REMARK 465 GLY B 75 REMARK 465 ASP B 442 REMARK 465 SER B 443 REMARK 465 LYS B 444 REMARK 465 VAL B 445 REMARK 465 GLY B 446 REMARK 465 GLY B 447 REMARK 465 ASN B 448 REMARK 465 TYR B 449 REMARK 465 ASN B 450 REMARK 465 GLY B 476 REMARK 465 SER B 477 REMARK 465 THR B 478 REMARK 465 PRO B 479 REMARK 465 CYS B 480 REMARK 465 ASN B 481 REMARK 465 GLY B 482 REMARK 465 VAL B 483 REMARK 465 GLU B 484 REMARK 465 GLY B 485 REMARK 465 PHE B 486 REMARK 465 GLN B 498 REMARK 465 PRO B 499 REMARK 465 THR B 500 REMARK 465 ASN B 501 REMARK 465 GLY B 502 REMARK 465 ILE B 624 REMARK 465 HIS B 625 REMARK 465 ALA B 626 REMARK 465 ASP B 627 REMARK 465 GLN B 628 REMARK 465 LEU B 629 REMARK 465 THR B 676 REMARK 465 GLN B 677 REMARK 465 THR B 678 REMARK 465 ASN B 679 REMARK 465 SER B 680 REMARK 465 PRO B 681 REMARK 465 GLY B 682 REMARK 465 SER B 683 REMARK 465 ALA B 684 REMARK 465 SER B 685 REMARK 465 SER B 686 REMARK 465 VAL B 687 REMARK 465 ALA B 688 REMARK 465 SER B 689 REMARK 465 ALA B 829 REMARK 465 ASP B 830 REMARK 465 ALA B 831 REMARK 465 GLY B 832 REMARK 465 PHE B 833 REMARK 465 ILE B 834 REMARK 465 LYS B 835 REMARK 465 GLN B 836 REMARK 465 TYR B 837 REMARK 465 GLY B 838 REMARK 465 ASP B 839 REMARK 465 CYS B 840 REMARK 465 LEU B 841 REMARK 465 GLY B 842 REMARK 465 ASP B 843 REMARK 465 ILE B 844 REMARK 465 ALA B 845 REMARK 465 ALA B 846 REMARK 465 ARG B 847 REMARK 465 ASP B 848 REMARK 465 LEU B 849 REMARK 465 ILE B 850 REMARK 465 CYS B 851 REMARK 465 GLU B 1150 REMARK 465 GLU B 1151 REMARK 465 LEU B 1152 REMARK 465 ASP B 1153 REMARK 465 LYS B 1154 REMARK 465 TYR B 1155 REMARK 465 PHE B 1156 REMARK 465 LYS B 1157 REMARK 465 ASN B 1158 REMARK 465 HIS B 1159 REMARK 465 THR B 1160 REMARK 465 SER B 1161 REMARK 465 PRO B 1162 REMARK 465 ASP B 1163 REMARK 465 VAL B 1164 REMARK 465 ASP B 1165 REMARK 465 LEU B 1166 REMARK 465 GLY B 1167 REMARK 465 ASP B 1168 REMARK 465 ILE B 1169 REMARK 465 SER B 1170 REMARK 465 GLY B 1171 REMARK 465 ILE B 1172 REMARK 465 ASN B 1173 REMARK 465 ALA B 1174 REMARK 465 SER B 1175 REMARK 465 VAL B 1176 REMARK 465 VAL B 1177 REMARK 465 ASN B 1178 REMARK 465 ILE B 1179 REMARK 465 GLN B 1180 REMARK 465 LYS B 1181 REMARK 465 GLU B 1182 REMARK 465 ILE B 1183 REMARK 465 ASP B 1184 REMARK 465 ARG B 1185 REMARK 465 LEU B 1186 REMARK 465 ASN B 1187 REMARK 465 GLU B 1188 REMARK 465 VAL B 1189 REMARK 465 ALA B 1190 REMARK 465 LYS B 1191 REMARK 465 ASN B 1192 REMARK 465 LEU B 1193 REMARK 465 ASN B 1194 REMARK 465 GLU B 1195 REMARK 465 SER B 1196 REMARK 465 LEU B 1197 REMARK 465 ILE B 1198 REMARK 465 ASP B 1199 REMARK 465 LEU B 1200 REMARK 465 GLN B 1201 REMARK 465 GLU B 1202 REMARK 465 LEU B 1203 REMARK 465 GLY B 1204 REMARK 465 LYS B 1205 REMARK 465 TYR B 1206 REMARK 465 GLU B 1207 REMARK 465 GLN B 1208 REMARK 465 MET C 1 REMARK 465 PHE C 2 REMARK 465 VAL C 3 REMARK 465 PHE C 4 REMARK 465 LEU C 5 REMARK 465 VAL C 6 REMARK 465 LEU C 7 REMARK 465 LEU C 8 REMARK 465 PRO C 9 REMARK 465 LEU C 10 REMARK 465 VAL C 11 REMARK 465 SER C 12 REMARK 465 SER C 13 REMARK 465 SER C 71 REMARK 465 GLY C 72 REMARK 465 THR C 73 REMARK 465 ASN C 74 REMARK 465 GLY C 75 REMARK 465 HIS C 625 REMARK 465 ALA C 626 REMARK 465 ASP C 627 REMARK 465 GLN C 628 REMARK 465 LEU C 629 REMARK 465 THR C 630 REMARK 465 THR C 676 REMARK 465 GLN C 677 REMARK 465 THR C 678 REMARK 465 ASN C 679 REMARK 465 SER C 680 REMARK 465 PRO C 681 REMARK 465 GLY C 682 REMARK 465 SER C 683 REMARK 465 ALA C 684 REMARK 465 SER C 685 REMARK 465 SER C 686 REMARK 465 VAL C 687 REMARK 465 ALA C 688 REMARK 465 SER C 689 REMARK 465 ILE C 742 REMARK 465 ALA C 829 REMARK 465 ASP C 830 REMARK 465 ALA C 831 REMARK 465 GLY C 832 REMARK 465 PHE C 833 REMARK 465 ILE C 834 REMARK 465 LYS C 835 REMARK 465 GLN C 836 REMARK 465 TYR C 837 REMARK 465 GLY C 838 REMARK 465 ASP C 839 REMARK 465 CYS C 840 REMARK 465 LEU C 841 REMARK 465 GLY C 842 REMARK 465 ASP C 843 REMARK 465 ILE C 844 REMARK 465 ALA C 845 REMARK 465 ALA C 846 REMARK 465 ARG C 847 REMARK 465 ASP C 848 REMARK 465 LEU C 849 REMARK 465 ILE C 850 REMARK 465 CYS C 851 REMARK 465 GLU C 1150 REMARK 465 GLU C 1151 REMARK 465 LEU C 1152 REMARK 465 ASP C 1153 REMARK 465 LYS C 1154 REMARK 465 TYR C 1155 REMARK 465 PHE C 1156 REMARK 465 LYS C 1157 REMARK 465 ASN C 1158 REMARK 465 HIS C 1159 REMARK 465 THR C 1160 REMARK 465 SER C 1161 REMARK 465 PRO C 1162 REMARK 465 ASP C 1163 REMARK 465 VAL C 1164 REMARK 465 ASP C 1165 REMARK 465 LEU C 1166 REMARK 465 GLY C 1167 REMARK 465 ASP C 1168 REMARK 465 ILE C 1169 REMARK 465 SER C 1170 REMARK 465 GLY C 1171 REMARK 465 ILE C 1172 REMARK 465 ASN C 1173 REMARK 465 ALA C 1174 REMARK 465 SER C 1175 REMARK 465 VAL C 1176 REMARK 465 VAL C 1177 REMARK 465 ASN C 1178 REMARK 465 ILE C 1179 REMARK 465 GLN C 1180 REMARK 465 LYS C 1181 REMARK 465 GLU C 1182 REMARK 465 ILE C 1183 REMARK 465 ASP C 1184 REMARK 465 ARG C 1185 REMARK 465 LEU C 1186 REMARK 465 ASN C 1187 REMARK 465 GLU C 1188 REMARK 465 VAL C 1189 REMARK 465 ALA C 1190 REMARK 465 LYS C 1191 REMARK 465 ASN C 1192 REMARK 465 LEU C 1193 REMARK 465 ASN C 1194 REMARK 465 GLU C 1195 REMARK 465 SER C 1196 REMARK 465 LEU C 1197 REMARK 465 ILE C 1198 REMARK 465 ASP C 1199 REMARK 465 LEU C 1200 REMARK 465 GLN C 1201 REMARK 465 GLU C 1202 REMARK 465 LEU C 1203 REMARK 465 GLY C 1204 REMARK 465 LYS C 1205 REMARK 465 TYR C 1206 REMARK 465 GLU C 1207 REMARK 465 GLN C 1208 REMARK 465 THR G 223 REMARK 465 HIS G 224 REMARK 465 THR G 225 REMARK 465 CYS G 226 REMARK 465 PRO G 227 REMARK 465 PRO G 228 REMARK 465 CYS G 229 REMARK 465 PRO G 230 REMARK 465 ALA G 231 REMARK 465 PRO G 232 REMARK 465 GLU G 233 REMARK 465 LEU G 234 REMARK 465 LEU G 235 REMARK 465 GLY G 236 REMARK 465 GLY G 237 REMARK 465 PRO G 238 REMARK 465 SER G 239 REMARK 465 VAL G 240 REMARK 465 PHE G 241 REMARK 465 LEU G 242 REMARK 465 PHE G 243 REMARK 465 PRO G 244 REMARK 465 PRO G 245 REMARK 465 LYS G 246 REMARK 465 PRO G 247 REMARK 465 LYS G 248 REMARK 465 ASP G 249 REMARK 465 THR G 250 REMARK 465 LEU G 251 REMARK 465 MET G 252 REMARK 465 ILE G 253 REMARK 465 SER G 254 REMARK 465 ARG G 255 REMARK 465 THR G 256 REMARK 465 PRO G 257 REMARK 465 GLU G 258 REMARK 465 VAL G 259 REMARK 465 THR G 260 REMARK 465 CYS G 261 REMARK 465 VAL G 262 REMARK 465 VAL G 263 REMARK 465 VAL G 264 REMARK 465 ASP G 265 REMARK 465 VAL G 266 REMARK 465 SER G 267 REMARK 465 HIS G 268 REMARK 465 GLU G 269 REMARK 465 ASP G 270 REMARK 465 PRO G 271 REMARK 465 GLU G 272 REMARK 465 VAL G 273 REMARK 465 LYS G 274 REMARK 465 PHE G 275 REMARK 465 ASN G 276 REMARK 465 TRP G 277 REMARK 465 TYR G 278 REMARK 465 VAL G 279 REMARK 465 ASP G 280 REMARK 465 GLY G 281 REMARK 465 VAL G 282 REMARK 465 GLU G 283 REMARK 465 VAL G 284 REMARK 465 HIS G 285 REMARK 465 ASN G 286 REMARK 465 ALA G 287 REMARK 465 LYS G 288 REMARK 465 THR G 289 REMARK 465 LYS G 290 REMARK 465 PRO G 291 REMARK 465 ARG G 292 REMARK 465 GLU G 293 REMARK 465 GLU G 294 REMARK 465 GLN G 295 REMARK 465 TYR G 296 REMARK 465 ASN G 297 REMARK 465 SER G 298 REMARK 465 THR G 299 REMARK 465 TYR G 300 REMARK 465 ARG G 301 REMARK 465 VAL G 302 REMARK 465 VAL G 303 REMARK 465 SER G 304 REMARK 465 VAL G 305 REMARK 465 LEU G 306 REMARK 465 THR G 307 REMARK 465 VAL G 308 REMARK 465 LEU G 309 REMARK 465 HIS G 310 REMARK 465 GLN G 311 REMARK 465 ASP G 312 REMARK 465 TRP G 313 REMARK 465 LEU G 314 REMARK 465 ASN G 315 REMARK 465 GLY G 316 REMARK 465 LYS G 317 REMARK 465 GLU G 318 REMARK 465 TYR G 319 REMARK 465 LYS G 320 REMARK 465 CYS G 321 REMARK 465 LYS G 322 REMARK 465 VAL G 323 REMARK 465 SER G 324 REMARK 465 ASN G 325 REMARK 465 LYS G 326 REMARK 465 ALA G 327 REMARK 465 LEU G 328 REMARK 465 PRO G 329 REMARK 465 ALA G 330 REMARK 465 PRO G 331 REMARK 465 ILE G 332 REMARK 465 GLU G 333 REMARK 465 LYS G 334 REMARK 465 THR G 335 REMARK 465 ILE G 336 REMARK 465 SER G 337 REMARK 465 LYS G 338 REMARK 465 ALA G 339 REMARK 465 LYS G 340 REMARK 465 GLY G 341 REMARK 465 GLN G 342 REMARK 465 PRO G 343 REMARK 465 ARG G 344 REMARK 465 GLU G 345 REMARK 465 PRO G 346 REMARK 465 GLN G 347 REMARK 465 VAL G 348 REMARK 465 TYR G 349 REMARK 465 THR G 350 REMARK 465 LEU G 351 REMARK 465 PRO G 352 REMARK 465 PRO G 353 REMARK 465 SER G 354 REMARK 465 ARG G 355 REMARK 465 GLU G 356 REMARK 465 GLU G 357 REMARK 465 MET G 358 REMARK 465 THR G 359 REMARK 465 LYS G 360 REMARK 465 ASN G 361 REMARK 465 GLN G 362 REMARK 465 VAL G 363 REMARK 465 SER G 364 REMARK 465 LEU G 365 REMARK 465 THR G 366 REMARK 465 CYS G 367 REMARK 465 LEU G 368 REMARK 465 VAL G 369 REMARK 465 LYS G 370 REMARK 465 GLY G 371 REMARK 465 PHE G 372 REMARK 465 TYR G 373 REMARK 465 PRO G 374 REMARK 465 SER G 375 REMARK 465 ASP G 376 REMARK 465 ILE G 377 REMARK 465 ALA G 378 REMARK 465 VAL G 379 REMARK 465 GLU G 380 REMARK 465 TRP G 381 REMARK 465 GLU G 382 REMARK 465 SER G 383 REMARK 465 ASN G 384 REMARK 465 GLY G 385 REMARK 465 GLN G 386 REMARK 465 PRO G 387 REMARK 465 GLU G 388 REMARK 465 ASN G 389 REMARK 465 ASN G 390 REMARK 465 TYR G 391 REMARK 465 LYS G 392 REMARK 465 THR G 393 REMARK 465 THR G 394 REMARK 465 PRO G 395 REMARK 465 PRO G 396 REMARK 465 VAL G 397 REMARK 465 LEU G 398 REMARK 465 ASP G 399 REMARK 465 SER G 400 REMARK 465 ASP G 401 REMARK 465 GLY G 402 REMARK 465 SER G 403 REMARK 465 PHE G 404 REMARK 465 PHE G 405 REMARK 465 LEU G 406 REMARK 465 TYR G 407 REMARK 465 SER G 408 REMARK 465 LYS G 409 REMARK 465 LEU G 410 REMARK 465 THR G 411 REMARK 465 VAL G 412 REMARK 465 ASP G 413 REMARK 465 LYS G 414 REMARK 465 SER G 415 REMARK 465 ARG G 416 REMARK 465 TRP G 417 REMARK 465 GLN G 418 REMARK 465 GLN G 419 REMARK 465 GLY G 420 REMARK 465 ASN G 421 REMARK 465 VAL G 422 REMARK 465 PHE G 423 REMARK 465 SER G 424 REMARK 465 CYS G 425 REMARK 465 SER G 426 REMARK 465 VAL G 427 REMARK 465 MET G 428 REMARK 465 HIS G 429 REMARK 465 GLU G 430 REMARK 465 ALA G 431 REMARK 465 LEU G 432 REMARK 465 HIS G 433 REMARK 465 ASN G 434 REMARK 465 HIS G 435 REMARK 465 TYR G 436 REMARK 465 THR G 437 REMARK 465 GLN G 438 REMARK 465 LYS G 439 REMARK 465 SER G 440 REMARK 465 LEU G 441 REMARK 465 SER G 442 REMARK 465 LEU G 443 REMARK 465 SER G 444 REMARK 465 PRO G 445 REMARK 465 GLY G 446 REMARK 465 LYS G 447 REMARK 465 THR J 223 REMARK 465 HIS J 224 REMARK 465 THR J 225 REMARK 465 CYS J 226 REMARK 465 PRO J 227 REMARK 465 PRO J 228 REMARK 465 CYS J 229 REMARK 465 PRO J 230 REMARK 465 ALA J 231 REMARK 465 PRO J 232 REMARK 465 GLU J 233 REMARK 465 LEU J 234 REMARK 465 LEU J 235 REMARK 465 GLY J 236 REMARK 465 GLY J 237 REMARK 465 PRO J 238 REMARK 465 SER J 239 REMARK 465 VAL J 240 REMARK 465 PHE J 241 REMARK 465 LEU J 242 REMARK 465 PHE J 243 REMARK 465 PRO J 244 REMARK 465 PRO J 245 REMARK 465 LYS J 246 REMARK 465 PRO J 247 REMARK 465 LYS J 248 REMARK 465 ASP J 249 REMARK 465 THR J 250 REMARK 465 LEU J 251 REMARK 465 MET J 252 REMARK 465 ILE J 253 REMARK 465 SER J 254 REMARK 465 ARG J 255 REMARK 465 THR J 256 REMARK 465 PRO J 257 REMARK 465 GLU J 258 REMARK 465 VAL J 259 REMARK 465 THR J 260 REMARK 465 CYS J 261 REMARK 465 VAL J 262 REMARK 465 VAL J 263 REMARK 465 VAL J 264 REMARK 465 ASP J 265 REMARK 465 VAL J 266 REMARK 465 SER J 267 REMARK 465 HIS J 268 REMARK 465 GLU J 269 REMARK 465 ASP J 270 REMARK 465 PRO J 271 REMARK 465 GLU J 272 REMARK 465 VAL J 273 REMARK 465 LYS J 274 REMARK 465 PHE J 275 REMARK 465 ASN J 276 REMARK 465 TRP J 277 REMARK 465 TYR J 278 REMARK 465 VAL J 279 REMARK 465 ASP J 280 REMARK 465 GLY J 281 REMARK 465 VAL J 282 REMARK 465 GLU J 283 REMARK 465 VAL J 284 REMARK 465 HIS J 285 REMARK 465 ASN J 286 REMARK 465 ALA J 287 REMARK 465 LYS J 288 REMARK 465 THR J 289 REMARK 465 LYS J 290 REMARK 465 PRO J 291 REMARK 465 ARG J 292 REMARK 465 GLU J 293 REMARK 465 GLU J 294 REMARK 465 GLN J 295 REMARK 465 TYR J 296 REMARK 465 ASN J 297 REMARK 465 SER J 298 REMARK 465 THR J 299 REMARK 465 TYR J 300 REMARK 465 ARG J 301 REMARK 465 VAL J 302 REMARK 465 VAL J 303 REMARK 465 SER J 304 REMARK 465 VAL J 305 REMARK 465 LEU J 306 REMARK 465 THR J 307 REMARK 465 VAL J 308 REMARK 465 LEU J 309 REMARK 465 HIS J 310 REMARK 465 GLN J 311 REMARK 465 ASP J 312 REMARK 465 TRP J 313 REMARK 465 LEU J 314 REMARK 465 ASN J 315 REMARK 465 GLY J 316 REMARK 465 LYS J 317 REMARK 465 GLU J 318 REMARK 465 TYR J 319 REMARK 465 LYS J 320 REMARK 465 CYS J 321 REMARK 465 LYS J 322 REMARK 465 VAL J 323 REMARK 465 SER J 324 REMARK 465 ASN J 325 REMARK 465 LYS J 326 REMARK 465 ALA J 327 REMARK 465 LEU J 328 REMARK 465 PRO J 329 REMARK 465 ALA J 330 REMARK 465 PRO J 331 REMARK 465 ILE J 332 REMARK 465 GLU J 333 REMARK 465 LYS J 334 REMARK 465 THR J 335 REMARK 465 ILE J 336 REMARK 465 SER J 337 REMARK 465 LYS J 338 REMARK 465 ALA J 339 REMARK 465 LYS J 340 REMARK 465 GLY J 341 REMARK 465 GLN J 342 REMARK 465 PRO J 343 REMARK 465 ARG J 344 REMARK 465 GLU J 345 REMARK 465 PRO J 346 REMARK 465 GLN J 347 REMARK 465 VAL J 348 REMARK 465 TYR J 349 REMARK 465 THR J 350 REMARK 465 LEU J 351 REMARK 465 PRO J 352 REMARK 465 PRO J 353 REMARK 465 SER J 354 REMARK 465 ARG J 355 REMARK 465 GLU J 356 REMARK 465 GLU J 357 REMARK 465 MET J 358 REMARK 465 THR J 359 REMARK 465 LYS J 360 REMARK 465 ASN J 361 REMARK 465 GLN J 362 REMARK 465 VAL J 363 REMARK 465 SER J 364 REMARK 465 LEU J 365 REMARK 465 THR J 366 REMARK 465 CYS J 367 REMARK 465 LEU J 368 REMARK 465 VAL J 369 REMARK 465 LYS J 370 REMARK 465 GLY J 371 REMARK 465 PHE J 372 REMARK 465 TYR J 373 REMARK 465 PRO J 374 REMARK 465 SER J 375 REMARK 465 ASP J 376 REMARK 465 ILE J 377 REMARK 465 ALA J 378 REMARK 465 VAL J 379 REMARK 465 GLU J 380 REMARK 465 TRP J 381 REMARK 465 GLU J 382 REMARK 465 SER J 383 REMARK 465 ASN J 384 REMARK 465 GLY J 385 REMARK 465 GLN J 386 REMARK 465 PRO J 387 REMARK 465 GLU J 388 REMARK 465 ASN J 389 REMARK 465 ASN J 390 REMARK 465 TYR J 391 REMARK 465 LYS J 392 REMARK 465 THR J 393 REMARK 465 THR J 394 REMARK 465 PRO J 395 REMARK 465 PRO J 396 REMARK 465 VAL J 397 REMARK 465 LEU J 398 REMARK 465 ASP J 399 REMARK 465 SER J 400 REMARK 465 ASP J 401 REMARK 465 GLY J 402 REMARK 465 SER J 403 REMARK 465 PHE J 404 REMARK 465 PHE J 405 REMARK 465 LEU J 406 REMARK 465 TYR J 407 REMARK 465 SER J 408 REMARK 465 LYS J 409 REMARK 465 LEU J 410 REMARK 465 THR J 411 REMARK 465 VAL J 412 REMARK 465 ASP J 413 REMARK 465 LYS J 414 REMARK 465 SER J 415 REMARK 465 ARG J 416 REMARK 465 TRP J 417 REMARK 465 GLN J 418 REMARK 465 GLN J 419 REMARK 465 GLY J 420 REMARK 465 ASN J 421 REMARK 465 VAL J 422 REMARK 465 PHE J 423 REMARK 465 SER J 424 REMARK 465 CYS J 425 REMARK 465 SER J 426 REMARK 465 VAL J 427 REMARK 465 MET J 428 REMARK 465 HIS J 429 REMARK 465 GLU J 430 REMARK 465 ALA J 431 REMARK 465 LEU J 432 REMARK 465 HIS J 433 REMARK 465 ASN J 434 REMARK 465 HIS J 435 REMARK 465 TYR J 436 REMARK 465 THR J 437 REMARK 465 GLN J 438 REMARK 465 LYS J 439 REMARK 465 SER J 440 REMARK 465 LEU J 441 REMARK 465 SER J 442 REMARK 465 LEU J 443 REMARK 465 SER J 444 REMARK 465 PRO J 445 REMARK 465 GLY J 446 REMARK 465 LYS J 447 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 CG GLN F 166 OH TYR F 173 1.98 REMARK 500 OD2 ASP C 420 ND2 ASN C 460 2.00 REMARK 500 OH TYR C 421 O ARG C 457 2.00 REMARK 500 O LEU B 176 NH2 ARG B 190 2.06 REMARK 500 O PHE B 175 NH2 ARG B 190 2.07 REMARK 500 ND1 HIS G 204 OG SER G 207 2.08 REMARK 500 OG SER J 35 O SER J 49 2.12 REMARK 500 N LYS C 462 OE1 GLU C 465 2.12 REMARK 500 OH TYR C 421 OG SER J 53 2.15 REMARK 500 ND2 ASN C 439 OE1 GLN C 506 2.15 REMARK 500 OG SER J 21 O LEU J 78 2.15 REMARK 500 ND2 ASN A 969 OE1 GLN B 755 2.15 REMARK 500 OE2 GLU B 725 NZ LYS B 1028 2.16 REMARK 500 O GLU B 661 OH TYR B 695 2.16 REMARK 500 O LEU I 33 N GLY I 50 2.16 REMARK 500 OH TYR I 91 O ASP J 101 2.16 REMARK 500 O SER J 62 NH2 ARG J 66 2.17 REMARK 500 OD2 ASP B 215 OH TYR B 266 2.17 REMARK 500 O GLU A 661 OH TYR A 695 2.18 REMARK 500 OH TYR B 91 OE2 GLU B 191 2.18 REMARK 500 OG SER G 157 OD1 ASN G 201 2.18 REMARK 500 OD2 ASP I 170 OG1 THR I 172 2.18 REMARK 500 O SER B 721 OG1 THR B 1066 2.18 REMARK 500 OE1 GLU I 195 OG1 THR I 206 2.19 REMARK 500 NH1 ARG F 96 O ASP G 101 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 CYS A1032 CB CYS A1032 SG -0.101 REMARK 500 PRO C 987 CB PRO C 987 CG 1.008 REMARK 500 PRO C 987 CG PRO C 987 CD -0.602 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 THR A 588 C - N - CA ANGL. DEV. = -15.0 DEGREES REMARK 500 CYS B 301 CA - CB - SG ANGL. DEV. = -11.6 DEGREES REMARK 500 ASP B 745 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 LEU C 293 CA - CB - CG ANGL. DEV. = 19.9 DEGREES REMARK 500 ASP C 364 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 PRO C 987 C - N - CD ANGL. DEV. = 18.8 DEGREES REMARK 500 PRO C 987 CA - N - CD ANGL. DEV. = -16.9 DEGREES REMARK 500 PRO C 987 N - CA - CB ANGL. DEV. = -12.8 DEGREES REMARK 500 PRO C 987 CA - CB - CG ANGL. DEV. = -15.7 DEGREES REMARK 500 PRO C 987 CB - CG - CD ANGL. DEV. = 106.5 DEGREES REMARK 500 LEU J 18 CA - CB - CG ANGL. DEV. = 14.0 DEGREES REMARK 500 LEU J 80 CB - CG - CD1 ANGL. DEV. = -12.1 DEGREES 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 THR A 33 15.41 59.49 REMARK 500 TYR A 38 107.51 -58.33 REMARK 500 SER A 45 -165.58 -79.74 REMARK 500 SER A 46 80.98 -69.83 REMARK 500 ASP A 53 -166.82 -166.87 REMARK 500 ASN A 81 87.22 -157.78 REMARK 500 ASN A 87 -134.49 54.29 REMARK 500 GLU A 156 147.69 -173.02 REMARK 500 VAL A 159 -50.65 -131.33 REMARK 500 LYS A 206 145.18 -170.22 REMARK 500 PHE A 220 -0.98 66.83 REMARK 500 THR A 236 -31.14 -131.20 REMARK 500 GLU A 281 49.12 -79.54 REMARK 500 SER A 316 -159.70 -149.06 REMARK 500 ASN A 343 34.82 -98.10 REMARK 500 ASN A 658 -167.88 -78.04 REMARK 500 ASP A 745 15.54 55.34 REMARK 500 ALA A 783 31.06 -92.92 REMARK 500 ASN A 856 -139.34 58.99 REMARK 500 SER A 884 32.38 -94.15 REMARK 500 ALA A 890 29.94 -140.35 REMARK 500 LEU A 945 31.51 -93.45 REMARK 500 ASP A 985 150.24 67.63 REMARK 500 SER A1123 148.92 -171.12 REMARK 500 TYR B 38 107.41 -58.55 REMARK 500 PHE B 86 -60.75 -92.46 REMARK 500 LEU B 226 -61.34 -98.54 REMARK 500 PRO B 337 48.54 -81.55 REMARK 500 ASP B 428 36.71 -98.39 REMARK 500 ARG B 454 147.52 -173.87 REMARK 500 GLN B 564 -62.19 -91.14 REMARK 500 SER B 640 -8.95 76.12 REMARK 500 ASN B 641 112.90 -162.53 REMARK 500 ASP B 663 -100.72 -151.83 REMARK 500 ASN B 710 28.36 -140.85 REMARK 500 ASP B 745 -11.98 77.15 REMARK 500 ALA B 890 32.54 -140.08 REMARK 500 LEU B 945 37.93 -97.85 REMARK 500 ASP B1084 -126.97 51.42 REMARK 500 SER B1123 116.88 -160.28 REMARK 500 THR C 33 10.72 -142.73 REMARK 500 TYR C 38 109.68 -56.16 REMARK 500 ASP C 88 14.99 58.80 REMARK 500 ASN C 165 61.72 33.50 REMARK 500 GLU C 180 145.10 -170.70 REMARK 500 LYS C 206 144.61 -170.66 REMARK 500 VAL C 327 -66.40 -96.09 REMARK 500 PHE C 329 149.55 -173.39 REMARK 500 PRO C 330 -179.76 -67.68 REMARK 500 PRO C 337 48.03 -78.53 REMARK 500 REMARK 500 THIS ENTRY HAS 81 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP J 101 PHE J 102 148.85 REMARK 500 PHE J 102 TYR J 103 149.25 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-26263 RELATED DB: EMDB REMARK 900 SARS-COV2 S PROTEIN STRUCTURE IN COMPLEX WITH NEUTRALIZING REMARK 900 MONOCLONAL ANTIBODY 002-02 DBREF 7U0Q A 1 1208 UNP P0DTC2 SPIKE_SARS2 1 1208 DBREF 7U0Q B 1 1208 UNP P0DTC2 SPIKE_SARS2 1 1208 DBREF 7U0Q C 1 1208 UNP P0DTC2 SPIKE_SARS2 1 1208 DBREF 7U0Q F 1 214 PDB 7U0Q 7U0Q 1 214 DBREF 7U0Q G 1 447 PDB 7U0Q 7U0Q 1 447 DBREF 7U0Q I 1 214 PDB 7U0Q 7U0Q 1 214 DBREF 7U0Q J 1 447 PDB 7U0Q 7U0Q 1 447 SEQADV 7U0Q GLY A 682 UNP P0DTC2 ARG 682 CONFLICT SEQADV 7U0Q SER A 683 UNP P0DTC2 ARG 683 CONFLICT SEQADV 7U0Q SER A 685 UNP P0DTC2 ARG 685 CONFLICT SEQADV 7U0Q PRO A 817 UNP P0DTC2 PHE 817 CONFLICT SEQADV 7U0Q PRO A 892 UNP P0DTC2 ALA 892 CONFLICT SEQADV 7U0Q PRO A 899 UNP P0DTC2 ALA 899 CONFLICT SEQADV 7U0Q PRO A 942 UNP P0DTC2 ALA 942 CONFLICT SEQADV 7U0Q PRO A 986 UNP P0DTC2 LYS 986 CONFLICT SEQADV 7U0Q PRO A 987 UNP P0DTC2 VAL 987 CONFLICT SEQADV 7U0Q GLY B 682 UNP P0DTC2 ARG 682 CONFLICT SEQADV 7U0Q SER B 683 UNP P0DTC2 ARG 683 CONFLICT SEQADV 7U0Q SER B 685 UNP P0DTC2 ARG 685 CONFLICT SEQADV 7U0Q PRO B 817 UNP P0DTC2 PHE 817 CONFLICT SEQADV 7U0Q PRO B 892 UNP P0DTC2 ALA 892 CONFLICT SEQADV 7U0Q PRO B 899 UNP P0DTC2 ALA 899 CONFLICT SEQADV 7U0Q PRO B 942 UNP P0DTC2 ALA 942 CONFLICT SEQADV 7U0Q PRO B 986 UNP P0DTC2 LYS 986 CONFLICT SEQADV 7U0Q PRO B 987 UNP P0DTC2 VAL 987 CONFLICT SEQADV 7U0Q GLY C 682 UNP P0DTC2 ARG 682 CONFLICT SEQADV 7U0Q SER C 683 UNP P0DTC2 ARG 683 CONFLICT SEQADV 7U0Q SER C 685 UNP P0DTC2 ARG 685 CONFLICT SEQADV 7U0Q PRO C 817 UNP P0DTC2 PHE 817 CONFLICT SEQADV 7U0Q PRO C 892 UNP P0DTC2 ALA 892 CONFLICT SEQADV 7U0Q PRO C 899 UNP P0DTC2 ALA 899 CONFLICT SEQADV 7U0Q PRO C 942 UNP P0DTC2 ALA 942 CONFLICT SEQADV 7U0Q PRO C 986 UNP P0DTC2 LYS 986 CONFLICT SEQADV 7U0Q PRO C 987 UNP P0DTC2 VAL 987 CONFLICT SEQRES 1 A 1208 MET PHE VAL PHE LEU VAL LEU LEU PRO LEU VAL SER SER SEQRES 2 A 1208 GLN CYS VAL ASN LEU THR THR ARG THR GLN LEU PRO PRO SEQRES 3 A 1208 ALA TYR THR ASN SER PHE THR ARG GLY VAL TYR TYR PRO SEQRES 4 A 1208 ASP LYS VAL PHE ARG SER SER VAL LEU HIS SER THR GLN SEQRES 5 A 1208 ASP LEU PHE LEU PRO PHE PHE SER ASN VAL THR TRP PHE SEQRES 6 A 1208 HIS ALA ILE HIS VAL SER GLY THR ASN GLY THR LYS ARG SEQRES 7 A 1208 PHE ASP ASN PRO VAL LEU PRO PHE ASN ASP GLY VAL TYR SEQRES 8 A 1208 PHE ALA SER THR GLU LYS SER ASN ILE ILE ARG GLY TRP SEQRES 9 A 1208 ILE PHE GLY THR THR LEU ASP SER LYS THR GLN SER LEU SEQRES 10 A 1208 LEU ILE VAL ASN ASN ALA THR ASN VAL VAL ILE LYS VAL SEQRES 11 A 1208 CYS GLU PHE GLN PHE CYS ASN ASP PRO PHE LEU GLY VAL SEQRES 12 A 1208 TYR TYR HIS LYS ASN ASN LYS SER TRP MET GLU SER GLU SEQRES 13 A 1208 PHE ARG VAL TYR SER SER ALA ASN ASN CYS THR PHE GLU SEQRES 14 A 1208 TYR VAL SER GLN PRO PHE LEU MET ASP LEU GLU GLY LYS SEQRES 15 A 1208 GLN GLY ASN PHE LYS ASN LEU ARG GLU PHE VAL PHE LYS SEQRES 16 A 1208 ASN ILE ASP GLY TYR PHE LYS ILE TYR SER LYS HIS THR SEQRES 17 A 1208 PRO ILE ASN LEU VAL ARG ASP LEU PRO GLN GLY PHE SER SEQRES 18 A 1208 ALA LEU GLU PRO LEU VAL ASP LEU PRO ILE GLY ILE ASN SEQRES 19 A 1208 ILE THR ARG PHE GLN THR LEU LEU ALA LEU HIS ARG SER SEQRES 20 A 1208 TYR LEU THR PRO GLY ASP SER SER SER GLY TRP THR ALA SEQRES 21 A 1208 GLY ALA ALA ALA TYR TYR VAL GLY TYR LEU GLN PRO ARG SEQRES 22 A 1208 THR PHE LEU LEU LYS TYR ASN GLU ASN GLY THR ILE THR SEQRES 23 A 1208 ASP ALA VAL ASP CYS ALA LEU ASP PRO LEU SER GLU THR SEQRES 24 A 1208 LYS CYS THR LEU LYS SER PHE THR VAL GLU LYS GLY ILE SEQRES 25 A 1208 TYR GLN THR SER ASN PHE ARG VAL GLN PRO THR GLU SER SEQRES 26 A 1208 ILE VAL ARG PHE PRO ASN ILE THR ASN LEU CYS PRO PHE SEQRES 27 A 1208 GLY GLU VAL PHE ASN ALA THR ARG PHE ALA SER VAL TYR SEQRES 28 A 1208 ALA TRP ASN ARG LYS ARG ILE SER ASN CYS VAL ALA ASP SEQRES 29 A 1208 TYR SER VAL LEU TYR ASN SER ALA SER PHE SER THR PHE SEQRES 30 A 1208 LYS CYS TYR GLY VAL SER PRO THR LYS LEU ASN ASP LEU SEQRES 31 A 1208 CYS PHE THR ASN VAL TYR ALA ASP SER PHE VAL ILE ARG SEQRES 32 A 1208 GLY ASP GLU VAL ARG GLN ILE ALA PRO GLY GLN THR GLY SEQRES 33 A 1208 LYS ILE ALA ASP TYR ASN TYR LYS LEU PRO ASP ASP PHE SEQRES 34 A 1208 THR GLY CYS VAL ILE ALA TRP ASN SER ASN ASN LEU ASP SEQRES 35 A 1208 SER LYS VAL GLY GLY ASN TYR ASN TYR LEU TYR ARG LEU SEQRES 36 A 1208 PHE ARG LYS SER ASN LEU LYS PRO PHE GLU ARG ASP ILE SEQRES 37 A 1208 SER THR GLU ILE TYR GLN ALA GLY SER THR PRO CYS ASN SEQRES 38 A 1208 GLY VAL GLU GLY PHE ASN CYS TYR PHE PRO LEU GLN SER SEQRES 39 A 1208 TYR GLY PHE GLN PRO THR ASN GLY VAL GLY TYR GLN PRO SEQRES 40 A 1208 TYR ARG VAL VAL VAL LEU SER PHE GLU LEU LEU HIS ALA SEQRES 41 A 1208 PRO ALA THR VAL CYS GLY PRO LYS LYS SER THR ASN LEU SEQRES 42 A 1208 VAL LYS ASN LYS CYS VAL ASN PHE ASN PHE ASN GLY LEU SEQRES 43 A 1208 THR GLY THR GLY VAL LEU THR GLU SER ASN LYS LYS PHE SEQRES 44 A 1208 LEU PRO PHE GLN GLN PHE GLY ARG ASP ILE ALA ASP THR SEQRES 45 A 1208 THR ASP ALA VAL ARG ASP PRO GLN THR LEU GLU ILE LEU SEQRES 46 A 1208 ASP ILE THR PRO CYS SER PHE GLY GLY VAL SER VAL ILE SEQRES 47 A 1208 THR PRO GLY THR ASN THR SER ASN GLN VAL ALA VAL LEU SEQRES 48 A 1208 TYR GLN ASP VAL ASN CYS THR GLU VAL PRO VAL ALA ILE SEQRES 49 A 1208 HIS ALA ASP GLN LEU THR PRO THR TRP ARG VAL TYR SER SEQRES 50 A 1208 THR GLY SER ASN VAL PHE GLN THR ARG ALA GLY CYS LEU SEQRES 51 A 1208 ILE GLY ALA GLU HIS VAL ASN ASN SER TYR GLU CYS ASP SEQRES 52 A 1208 ILE PRO ILE GLY ALA GLY ILE CYS ALA SER TYR GLN THR SEQRES 53 A 1208 GLN THR ASN SER PRO GLY SER ALA SER SER VAL ALA SER SEQRES 54 A 1208 GLN SER ILE ILE ALA TYR THR MET SER LEU GLY ALA GLU SEQRES 55 A 1208 ASN SER VAL ALA TYR SER ASN ASN SER ILE ALA ILE PRO SEQRES 56 A 1208 THR ASN PHE THR ILE SER VAL THR THR GLU ILE LEU PRO SEQRES 57 A 1208 VAL SER MET THR LYS THR SER VAL ASP CYS THR MET TYR SEQRES 58 A 1208 ILE CYS GLY ASP SER THR GLU CYS SER ASN LEU LEU LEU SEQRES 59 A 1208 GLN TYR GLY SER PHE CYS THR GLN LEU ASN ARG ALA LEU SEQRES 60 A 1208 THR GLY ILE ALA VAL GLU GLN ASP LYS ASN THR GLN GLU SEQRES 61 A 1208 VAL PHE ALA GLN VAL LYS GLN ILE TYR LYS THR PRO PRO SEQRES 62 A 1208 ILE LYS ASP PHE GLY GLY PHE ASN PHE SER GLN ILE LEU SEQRES 63 A 1208 PRO ASP PRO SER LYS PRO SER LYS ARG SER PRO ILE GLU SEQRES 64 A 1208 ASP LEU LEU PHE ASN LYS VAL THR LEU ALA ASP ALA GLY SEQRES 65 A 1208 PHE ILE LYS GLN TYR GLY ASP CYS LEU GLY ASP ILE ALA SEQRES 66 A 1208 ALA ARG ASP LEU ILE CYS ALA GLN LYS PHE ASN GLY LEU SEQRES 67 A 1208 THR VAL LEU PRO PRO LEU LEU THR ASP GLU MET ILE ALA SEQRES 68 A 1208 GLN TYR THR SER ALA LEU LEU ALA GLY THR ILE THR SER SEQRES 69 A 1208 GLY TRP THR PHE GLY ALA GLY PRO ALA LEU GLN ILE PRO SEQRES 70 A 1208 PHE PRO MET GLN MET ALA TYR ARG PHE ASN GLY ILE GLY SEQRES 71 A 1208 VAL THR GLN ASN VAL LEU TYR GLU ASN GLN LYS LEU ILE SEQRES 72 A 1208 ALA ASN GLN PHE ASN SER ALA ILE GLY LYS ILE GLN ASP SEQRES 73 A 1208 SER LEU SER SER THR PRO SER ALA LEU GLY LYS LEU GLN SEQRES 74 A 1208 ASP VAL VAL ASN GLN ASN ALA GLN ALA LEU ASN THR LEU SEQRES 75 A 1208 VAL LYS GLN LEU SER SER ASN PHE GLY ALA ILE SER SER SEQRES 76 A 1208 VAL LEU ASN ASP ILE LEU SER ARG LEU ASP PRO PRO GLU SEQRES 77 A 1208 ALA GLU VAL GLN ILE ASP ARG LEU ILE THR GLY ARG LEU SEQRES 78 A 1208 GLN SER LEU GLN THR TYR VAL THR GLN GLN LEU ILE ARG SEQRES 79 A 1208 ALA ALA GLU ILE ARG ALA SER ALA ASN LEU ALA ALA THR SEQRES 80 A 1208 LYS MET SER GLU CYS VAL LEU GLY GLN SER LYS ARG VAL SEQRES 81 A 1208 ASP PHE CYS GLY LYS GLY TYR HIS LEU MET SER PHE PRO SEQRES 82 A 1208 GLN SER ALA PRO HIS GLY VAL VAL PHE LEU HIS VAL THR SEQRES 83 A 1208 TYR VAL PRO ALA GLN GLU LYS ASN PHE THR THR ALA PRO SEQRES 84 A 1208 ALA ILE CYS HIS ASP GLY LYS ALA HIS PHE PRO ARG GLU SEQRES 85 A 1208 GLY VAL PHE VAL SER ASN GLY THR HIS TRP PHE VAL THR SEQRES 86 A 1208 GLN ARG ASN PHE TYR GLU PRO GLN ILE ILE THR THR ASP SEQRES 87 A 1208 ASN THR PHE VAL SER GLY ASN CYS ASP VAL VAL ILE GLY SEQRES 88 A 1208 ILE VAL ASN ASN THR VAL TYR ASP PRO LEU GLN PRO GLU SEQRES 89 A 1208 LEU ASP SER PHE LYS GLU GLU LEU ASP LYS TYR PHE LYS SEQRES 90 A 1208 ASN HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SER SEQRES 91 A 1208 GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU ILE SEQRES 92 A 1208 ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SER SEQRES 93 A 1208 LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 1 B 1208 MET PHE VAL PHE LEU VAL LEU LEU PRO LEU VAL SER SER SEQRES 2 B 1208 GLN CYS VAL ASN LEU THR THR ARG THR GLN LEU PRO PRO SEQRES 3 B 1208 ALA TYR THR ASN SER PHE THR ARG GLY VAL TYR TYR PRO SEQRES 4 B 1208 ASP LYS VAL PHE ARG SER SER VAL LEU HIS SER THR GLN SEQRES 5 B 1208 ASP LEU PHE LEU PRO PHE PHE SER ASN VAL THR TRP PHE SEQRES 6 B 1208 HIS ALA ILE HIS VAL SER GLY THR ASN GLY THR LYS ARG SEQRES 7 B 1208 PHE ASP ASN PRO VAL LEU PRO PHE ASN ASP GLY VAL TYR SEQRES 8 B 1208 PHE ALA SER THR GLU LYS SER ASN ILE ILE ARG GLY TRP SEQRES 9 B 1208 ILE PHE GLY THR THR LEU ASP SER LYS THR GLN SER LEU SEQRES 10 B 1208 LEU ILE VAL ASN ASN ALA THR ASN VAL VAL ILE LYS VAL SEQRES 11 B 1208 CYS GLU PHE GLN PHE CYS ASN ASP PRO PHE LEU GLY VAL SEQRES 12 B 1208 TYR TYR HIS LYS ASN ASN LYS SER TRP MET GLU SER GLU SEQRES 13 B 1208 PHE ARG VAL TYR SER SER ALA ASN ASN CYS THR PHE GLU SEQRES 14 B 1208 TYR VAL SER GLN PRO PHE LEU MET ASP LEU GLU GLY LYS SEQRES 15 B 1208 GLN GLY ASN PHE LYS ASN LEU ARG GLU PHE VAL PHE LYS SEQRES 16 B 1208 ASN ILE ASP GLY TYR PHE LYS ILE TYR SER LYS HIS THR SEQRES 17 B 1208 PRO ILE ASN LEU VAL ARG ASP LEU PRO GLN GLY PHE SER SEQRES 18 B 1208 ALA LEU GLU PRO LEU VAL ASP LEU PRO ILE GLY ILE ASN SEQRES 19 B 1208 ILE THR ARG PHE GLN THR LEU LEU ALA LEU HIS ARG SER SEQRES 20 B 1208 TYR LEU THR PRO GLY ASP SER SER SER GLY TRP THR ALA SEQRES 21 B 1208 GLY ALA ALA ALA TYR TYR VAL GLY TYR LEU GLN PRO ARG SEQRES 22 B 1208 THR PHE LEU LEU LYS TYR ASN GLU ASN GLY THR ILE THR SEQRES 23 B 1208 ASP ALA VAL ASP CYS ALA LEU ASP PRO LEU SER GLU THR SEQRES 24 B 1208 LYS CYS THR LEU LYS SER PHE THR VAL GLU LYS GLY ILE SEQRES 25 B 1208 TYR GLN THR SER ASN PHE ARG VAL GLN PRO THR GLU SER SEQRES 26 B 1208 ILE VAL ARG PHE PRO ASN ILE THR ASN LEU CYS PRO PHE SEQRES 27 B 1208 GLY GLU VAL PHE ASN ALA THR ARG PHE ALA SER VAL TYR SEQRES 28 B 1208 ALA TRP ASN ARG LYS ARG ILE SER ASN CYS VAL ALA ASP SEQRES 29 B 1208 TYR SER VAL LEU TYR ASN SER ALA SER PHE SER THR PHE SEQRES 30 B 1208 LYS CYS TYR GLY VAL SER PRO THR LYS LEU ASN ASP LEU SEQRES 31 B 1208 CYS PHE THR ASN VAL TYR ALA ASP SER PHE VAL ILE ARG SEQRES 32 B 1208 GLY ASP GLU VAL ARG GLN ILE ALA PRO GLY GLN THR GLY SEQRES 33 B 1208 LYS ILE ALA ASP TYR ASN TYR LYS LEU PRO ASP ASP PHE SEQRES 34 B 1208 THR GLY CYS VAL ILE ALA TRP ASN SER ASN ASN LEU ASP SEQRES 35 B 1208 SER LYS VAL GLY GLY ASN TYR ASN TYR LEU TYR ARG LEU SEQRES 36 B 1208 PHE ARG LYS SER ASN LEU LYS PRO PHE GLU ARG ASP ILE SEQRES 37 B 1208 SER THR GLU ILE TYR GLN ALA GLY SER THR PRO CYS ASN SEQRES 38 B 1208 GLY VAL GLU GLY PHE ASN CYS TYR PHE PRO LEU GLN SER SEQRES 39 B 1208 TYR GLY PHE GLN PRO THR ASN GLY VAL GLY TYR GLN PRO SEQRES 40 B 1208 TYR ARG VAL VAL VAL LEU SER PHE GLU LEU LEU HIS ALA SEQRES 41 B 1208 PRO ALA THR VAL CYS GLY PRO LYS LYS SER THR ASN LEU SEQRES 42 B 1208 VAL LYS ASN LYS CYS VAL ASN PHE ASN PHE ASN GLY LEU SEQRES 43 B 1208 THR GLY THR GLY VAL LEU THR GLU SER ASN LYS LYS PHE SEQRES 44 B 1208 LEU PRO PHE GLN GLN PHE GLY ARG ASP ILE ALA ASP THR SEQRES 45 B 1208 THR ASP ALA VAL ARG ASP PRO GLN THR LEU GLU ILE LEU SEQRES 46 B 1208 ASP ILE THR PRO CYS SER PHE GLY GLY VAL SER VAL ILE SEQRES 47 B 1208 THR PRO GLY THR ASN THR SER ASN GLN VAL ALA VAL LEU SEQRES 48 B 1208 TYR GLN ASP VAL ASN CYS THR GLU VAL PRO VAL ALA ILE SEQRES 49 B 1208 HIS ALA ASP GLN LEU THR PRO THR TRP ARG VAL TYR SER SEQRES 50 B 1208 THR GLY SER ASN VAL PHE GLN THR ARG ALA GLY CYS LEU SEQRES 51 B 1208 ILE GLY ALA GLU HIS VAL ASN ASN SER TYR GLU CYS ASP SEQRES 52 B 1208 ILE PRO ILE GLY ALA GLY ILE CYS ALA SER TYR GLN THR SEQRES 53 B 1208 GLN THR ASN SER PRO GLY SER ALA SER SER VAL ALA SER SEQRES 54 B 1208 GLN SER ILE ILE ALA TYR THR MET SER LEU GLY ALA GLU SEQRES 55 B 1208 ASN SER VAL ALA TYR SER ASN ASN SER ILE ALA ILE PRO SEQRES 56 B 1208 THR ASN PHE THR ILE SER VAL THR THR GLU ILE LEU PRO SEQRES 57 B 1208 VAL SER MET THR LYS THR SER VAL ASP CYS THR MET TYR SEQRES 58 B 1208 ILE CYS GLY ASP SER THR GLU CYS SER ASN LEU LEU LEU SEQRES 59 B 1208 GLN TYR GLY SER PHE CYS THR GLN LEU ASN ARG ALA LEU SEQRES 60 B 1208 THR GLY ILE ALA VAL GLU GLN ASP LYS ASN THR GLN GLU SEQRES 61 B 1208 VAL PHE ALA GLN VAL LYS GLN ILE TYR LYS THR PRO PRO SEQRES 62 B 1208 ILE LYS ASP PHE GLY GLY PHE ASN PHE SER GLN ILE LEU SEQRES 63 B 1208 PRO ASP PRO SER LYS PRO SER LYS ARG SER PRO ILE GLU SEQRES 64 B 1208 ASP LEU LEU PHE ASN LYS VAL THR LEU ALA ASP ALA GLY SEQRES 65 B 1208 PHE ILE LYS GLN TYR GLY ASP CYS LEU GLY ASP ILE ALA SEQRES 66 B 1208 ALA ARG ASP LEU ILE CYS ALA GLN LYS PHE ASN GLY LEU SEQRES 67 B 1208 THR VAL LEU PRO PRO LEU LEU THR ASP GLU MET ILE ALA SEQRES 68 B 1208 GLN TYR THR SER ALA LEU LEU ALA GLY THR ILE THR SER SEQRES 69 B 1208 GLY TRP THR PHE GLY ALA GLY PRO ALA LEU GLN ILE PRO SEQRES 70 B 1208 PHE PRO MET GLN MET ALA TYR ARG PHE ASN GLY ILE GLY SEQRES 71 B 1208 VAL THR GLN ASN VAL LEU TYR GLU ASN GLN LYS LEU ILE SEQRES 72 B 1208 ALA ASN GLN PHE ASN SER ALA ILE GLY LYS ILE GLN ASP SEQRES 73 B 1208 SER LEU SER SER THR PRO SER ALA LEU GLY LYS LEU GLN SEQRES 74 B 1208 ASP VAL VAL ASN GLN ASN ALA GLN ALA LEU ASN THR LEU SEQRES 75 B 1208 VAL LYS GLN LEU SER SER ASN PHE GLY ALA ILE SER SER SEQRES 76 B 1208 VAL LEU ASN ASP ILE LEU SER ARG LEU ASP PRO PRO GLU SEQRES 77 B 1208 ALA GLU VAL GLN ILE ASP ARG LEU ILE THR GLY ARG LEU SEQRES 78 B 1208 GLN SER LEU GLN THR TYR VAL THR GLN GLN LEU ILE ARG SEQRES 79 B 1208 ALA ALA GLU ILE ARG ALA SER ALA ASN LEU ALA ALA THR SEQRES 80 B 1208 LYS MET SER GLU CYS VAL LEU GLY GLN SER LYS ARG VAL SEQRES 81 B 1208 ASP PHE CYS GLY LYS GLY TYR HIS LEU MET SER PHE PRO SEQRES 82 B 1208 GLN SER ALA PRO HIS GLY VAL VAL PHE LEU HIS VAL THR SEQRES 83 B 1208 TYR VAL PRO ALA GLN GLU LYS ASN PHE THR THR ALA PRO SEQRES 84 B 1208 ALA ILE CYS HIS ASP GLY LYS ALA HIS PHE PRO ARG GLU SEQRES 85 B 1208 GLY VAL PHE VAL SER ASN GLY THR HIS TRP PHE VAL THR SEQRES 86 B 1208 GLN ARG ASN PHE TYR GLU PRO GLN ILE ILE THR THR ASP SEQRES 87 B 1208 ASN THR PHE VAL SER GLY ASN CYS ASP VAL VAL ILE GLY SEQRES 88 B 1208 ILE VAL ASN ASN THR VAL TYR ASP PRO LEU GLN PRO GLU SEQRES 89 B 1208 LEU ASP SER PHE LYS GLU GLU LEU ASP LYS TYR PHE LYS SEQRES 90 B 1208 ASN HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SER SEQRES 91 B 1208 GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU ILE SEQRES 92 B 1208 ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SER SEQRES 93 B 1208 LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 1 C 1208 MET PHE VAL PHE LEU VAL LEU LEU PRO LEU VAL SER SER SEQRES 2 C 1208 GLN CYS VAL ASN LEU THR THR ARG THR GLN LEU PRO PRO SEQRES 3 C 1208 ALA TYR THR ASN SER PHE THR ARG GLY VAL TYR TYR PRO SEQRES 4 C 1208 ASP LYS VAL PHE ARG SER SER VAL LEU HIS SER THR GLN SEQRES 5 C 1208 ASP LEU PHE LEU PRO PHE PHE SER ASN VAL THR TRP PHE SEQRES 6 C 1208 HIS ALA ILE HIS VAL SER GLY THR ASN GLY THR LYS ARG SEQRES 7 C 1208 PHE ASP ASN PRO VAL LEU PRO PHE ASN ASP GLY VAL TYR SEQRES 8 C 1208 PHE ALA SER THR GLU LYS SER ASN ILE ILE ARG GLY TRP SEQRES 9 C 1208 ILE PHE GLY THR THR LEU ASP SER LYS THR GLN SER LEU SEQRES 10 C 1208 LEU ILE VAL ASN ASN ALA THR ASN VAL VAL ILE LYS VAL SEQRES 11 C 1208 CYS GLU PHE GLN PHE CYS ASN ASP PRO PHE LEU GLY VAL SEQRES 12 C 1208 TYR TYR HIS LYS ASN ASN LYS SER TRP MET GLU SER GLU SEQRES 13 C 1208 PHE ARG VAL TYR SER SER ALA ASN ASN CYS THR PHE GLU SEQRES 14 C 1208 TYR VAL SER GLN PRO PHE LEU MET ASP LEU GLU GLY LYS SEQRES 15 C 1208 GLN GLY ASN PHE LYS ASN LEU ARG GLU PHE VAL PHE LYS SEQRES 16 C 1208 ASN ILE ASP GLY TYR PHE LYS ILE TYR SER LYS HIS THR SEQRES 17 C 1208 PRO ILE ASN LEU VAL ARG ASP LEU PRO GLN GLY PHE SER SEQRES 18 C 1208 ALA LEU GLU PRO LEU VAL ASP LEU PRO ILE GLY ILE ASN SEQRES 19 C 1208 ILE THR ARG PHE GLN THR LEU LEU ALA LEU HIS ARG SER SEQRES 20 C 1208 TYR LEU THR PRO GLY ASP SER SER SER GLY TRP THR ALA SEQRES 21 C 1208 GLY ALA ALA ALA TYR TYR VAL GLY TYR LEU GLN PRO ARG SEQRES 22 C 1208 THR PHE LEU LEU LYS TYR ASN GLU ASN GLY THR ILE THR SEQRES 23 C 1208 ASP ALA VAL ASP CYS ALA LEU ASP PRO LEU SER GLU THR SEQRES 24 C 1208 LYS CYS THR LEU LYS SER PHE THR VAL GLU LYS GLY ILE SEQRES 25 C 1208 TYR GLN THR SER ASN PHE ARG VAL GLN PRO THR GLU SER SEQRES 26 C 1208 ILE VAL ARG PHE PRO ASN ILE THR ASN LEU CYS PRO PHE SEQRES 27 C 1208 GLY GLU VAL PHE ASN ALA THR ARG PHE ALA SER VAL TYR SEQRES 28 C 1208 ALA TRP ASN ARG LYS ARG ILE SER ASN CYS VAL ALA ASP SEQRES 29 C 1208 TYR SER VAL LEU TYR ASN SER ALA SER PHE SER THR PHE SEQRES 30 C 1208 LYS CYS TYR GLY VAL SER PRO THR LYS LEU ASN ASP LEU SEQRES 31 C 1208 CYS PHE THR ASN VAL TYR ALA ASP SER PHE VAL ILE ARG SEQRES 32 C 1208 GLY ASP GLU VAL ARG GLN ILE ALA PRO GLY GLN THR GLY SEQRES 33 C 1208 LYS ILE ALA ASP TYR ASN TYR LYS LEU PRO ASP ASP PHE SEQRES 34 C 1208 THR GLY CYS VAL ILE ALA TRP ASN SER ASN ASN LEU ASP SEQRES 35 C 1208 SER LYS VAL GLY GLY ASN TYR ASN TYR LEU TYR ARG LEU SEQRES 36 C 1208 PHE ARG LYS SER ASN LEU LYS PRO PHE GLU ARG ASP ILE SEQRES 37 C 1208 SER THR GLU ILE TYR GLN ALA GLY SER THR PRO CYS ASN SEQRES 38 C 1208 GLY VAL GLU GLY PHE ASN CYS TYR PHE PRO LEU GLN SER SEQRES 39 C 1208 TYR GLY PHE GLN PRO THR ASN GLY VAL GLY TYR GLN PRO SEQRES 40 C 1208 TYR ARG VAL VAL VAL LEU SER PHE GLU LEU LEU HIS ALA SEQRES 41 C 1208 PRO ALA THR VAL CYS GLY PRO LYS LYS SER THR ASN LEU SEQRES 42 C 1208 VAL LYS ASN LYS CYS VAL ASN PHE ASN PHE ASN GLY LEU SEQRES 43 C 1208 THR GLY THR GLY VAL LEU THR GLU SER ASN LYS LYS PHE SEQRES 44 C 1208 LEU PRO PHE GLN GLN PHE GLY ARG ASP ILE ALA ASP THR SEQRES 45 C 1208 THR ASP ALA VAL ARG ASP PRO GLN THR LEU GLU ILE LEU SEQRES 46 C 1208 ASP ILE THR PRO CYS SER PHE GLY GLY VAL SER VAL ILE SEQRES 47 C 1208 THR PRO GLY THR ASN THR SER ASN GLN VAL ALA VAL LEU SEQRES 48 C 1208 TYR GLN ASP VAL ASN CYS THR GLU VAL PRO VAL ALA ILE SEQRES 49 C 1208 HIS ALA ASP GLN LEU THR PRO THR TRP ARG VAL TYR SER SEQRES 50 C 1208 THR GLY SER ASN VAL PHE GLN THR ARG ALA GLY CYS LEU SEQRES 51 C 1208 ILE GLY ALA GLU HIS VAL ASN ASN SER TYR GLU CYS ASP SEQRES 52 C 1208 ILE PRO ILE GLY ALA GLY ILE CYS ALA SER TYR GLN THR SEQRES 53 C 1208 GLN THR ASN SER PRO GLY SER ALA SER SER VAL ALA SER SEQRES 54 C 1208 GLN SER ILE ILE ALA TYR THR MET SER LEU GLY ALA GLU SEQRES 55 C 1208 ASN SER VAL ALA TYR SER ASN ASN SER ILE ALA ILE PRO SEQRES 56 C 1208 THR ASN PHE THR ILE SER VAL THR THR GLU ILE LEU PRO SEQRES 57 C 1208 VAL SER MET THR LYS THR SER VAL ASP CYS THR MET TYR SEQRES 58 C 1208 ILE CYS GLY ASP SER THR GLU CYS SER ASN LEU LEU LEU SEQRES 59 C 1208 GLN TYR GLY SER PHE CYS THR GLN LEU ASN ARG ALA LEU SEQRES 60 C 1208 THR GLY ILE ALA VAL GLU GLN ASP LYS ASN THR GLN GLU SEQRES 61 C 1208 VAL PHE ALA GLN VAL LYS GLN ILE TYR LYS THR PRO PRO SEQRES 62 C 1208 ILE LYS ASP PHE GLY GLY PHE ASN PHE SER GLN ILE LEU SEQRES 63 C 1208 PRO ASP PRO SER LYS PRO SER LYS ARG SER PRO ILE GLU SEQRES 64 C 1208 ASP LEU LEU PHE ASN LYS VAL THR LEU ALA ASP ALA GLY SEQRES 65 C 1208 PHE ILE LYS GLN TYR GLY ASP CYS LEU GLY ASP ILE ALA SEQRES 66 C 1208 ALA ARG ASP LEU ILE CYS ALA GLN LYS PHE ASN GLY LEU SEQRES 67 C 1208 THR VAL LEU PRO PRO LEU LEU THR ASP GLU MET ILE ALA SEQRES 68 C 1208 GLN TYR THR SER ALA LEU LEU ALA GLY THR ILE THR SER SEQRES 69 C 1208 GLY TRP THR PHE GLY ALA GLY PRO ALA LEU GLN ILE PRO SEQRES 70 C 1208 PHE PRO MET GLN MET ALA TYR ARG PHE ASN GLY ILE GLY SEQRES 71 C 1208 VAL THR GLN ASN VAL LEU TYR GLU ASN GLN LYS LEU ILE SEQRES 72 C 1208 ALA ASN GLN PHE ASN SER ALA ILE GLY LYS ILE GLN ASP SEQRES 73 C 1208 SER LEU SER SER THR PRO SER ALA LEU GLY LYS LEU GLN SEQRES 74 C 1208 ASP VAL VAL ASN GLN ASN ALA GLN ALA LEU ASN THR LEU SEQRES 75 C 1208 VAL LYS GLN LEU SER SER ASN PHE GLY ALA ILE SER SER SEQRES 76 C 1208 VAL LEU ASN ASP ILE LEU SER ARG LEU ASP PRO PRO GLU SEQRES 77 C 1208 ALA GLU VAL GLN ILE ASP ARG LEU ILE THR GLY ARG LEU SEQRES 78 C 1208 GLN SER LEU GLN THR TYR VAL THR GLN GLN LEU ILE ARG SEQRES 79 C 1208 ALA ALA GLU ILE ARG ALA SER ALA ASN LEU ALA ALA THR SEQRES 80 C 1208 LYS MET SER GLU CYS VAL LEU GLY GLN SER LYS ARG VAL SEQRES 81 C 1208 ASP PHE CYS GLY LYS GLY TYR HIS LEU MET SER PHE PRO SEQRES 82 C 1208 GLN SER ALA PRO HIS GLY VAL VAL PHE LEU HIS VAL THR SEQRES 83 C 1208 TYR VAL PRO ALA GLN GLU LYS ASN PHE THR THR ALA PRO SEQRES 84 C 1208 ALA ILE CYS HIS ASP GLY LYS ALA HIS PHE PRO ARG GLU SEQRES 85 C 1208 GLY VAL PHE VAL SER ASN GLY THR HIS TRP PHE VAL THR SEQRES 86 C 1208 GLN ARG ASN PHE TYR GLU PRO GLN ILE ILE THR THR ASP SEQRES 87 C 1208 ASN THR PHE VAL SER GLY ASN CYS ASP VAL VAL ILE GLY SEQRES 88 C 1208 ILE VAL ASN ASN THR VAL TYR ASP PRO LEU GLN PRO GLU SEQRES 89 C 1208 LEU ASP SER PHE LYS GLU GLU LEU ASP LYS TYR PHE LYS SEQRES 90 C 1208 ASN HIS THR SER PRO ASP VAL ASP LEU GLY ASP ILE SER SEQRES 91 C 1208 GLY ILE ASN ALA SER VAL VAL ASN ILE GLN LYS GLU ILE SEQRES 92 C 1208 ASP ARG LEU ASN GLU VAL ALA LYS ASN LEU ASN GLU SER SEQRES 93 C 1208 LEU ILE ASP LEU GLN GLU LEU GLY LYS TYR GLU GLN SEQRES 1 F 214 GLU ILE VAL LEU THR GLN SER PRO GLY THR LEU SER LEU SEQRES 2 F 214 SER PRO GLY GLU ARG ALA THR LEU SER CYS ARG ALA SER SEQRES 3 F 214 GLN SER ILE SER SER TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 F 214 PRO GLY GLN ALA PRO ARG LEU LEU ILE TYR GLY ALA SER SEQRES 5 F 214 SER ARG ALA THR GLY ILE PRO ASP ARG PHE SER GLY SER SEQRES 6 F 214 GLY SER GLU THR ASP PHE THR LEU THR ILE SER ARG LEU SEQRES 7 F 214 GLU PRO GLU ASP PHE ALA VAL TYR PHE CYS GLN GLN TYR SEQRES 8 F 214 GLY SER SER PRO ARG THR PHE GLY GLN GLY THR LYS LEU SEQRES 9 F 214 GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE ILE SEQRES 10 F 214 PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR ALA SEQRES 11 F 214 SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG GLU SEQRES 12 F 214 ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SER SEQRES 13 F 214 GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER LYS SEQRES 14 F 214 ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SER SEQRES 15 F 214 LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS GLU SEQRES 16 F 214 VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SER SEQRES 17 F 214 PHE ASN ARG GLY GLU CYS SEQRES 1 G 447 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 G 447 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLU SEQRES 3 G 447 ILE THR VAL SER ARG ASN TYR MET SER TRP VAL ARG GLN SEQRES 4 G 447 ALA PRO GLY LYS GLY LEU GLU TRP VAL SER VAL ILE TYR SEQRES 5 G 447 SER GLY GLY SER THR PHE TYR ALA ASP SER VAL LYS GLY SEQRES 6 G 447 ARG PHE THR ILE SER ARG ASP ASN SER ARG ASN THR LEU SEQRES 7 G 447 TYR LEU GLN MET ASN SER LEU ARG ALA ASP ASP THR ALA SEQRES 8 G 447 VAL TYR TYR CYS ALA ARG ASP TYR GLY ASP PHE TYR PHE SEQRES 9 G 447 ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 G 447 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 G 447 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 G 447 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 G 447 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 G 447 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 G 447 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 G 447 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 G 447 THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS ASP SEQRES 18 G 447 LYS THR HIS THR CYS PRO PRO CYS PRO ALA PRO GLU LEU SEQRES 19 G 447 LEU GLY GLY PRO SER VAL PHE LEU PHE PRO PRO LYS PRO SEQRES 20 G 447 LYS ASP THR LEU MET ILE SER ARG THR PRO GLU VAL THR SEQRES 21 G 447 CYS VAL VAL VAL ASP VAL SER HIS GLU ASP PRO GLU VAL SEQRES 22 G 447 LYS PHE ASN TRP TYR VAL ASP GLY VAL GLU VAL HIS ASN SEQRES 23 G 447 ALA LYS THR LYS PRO ARG GLU GLU GLN TYR ASN SER THR SEQRES 24 G 447 TYR ARG VAL VAL SER VAL LEU THR VAL LEU HIS GLN ASP SEQRES 25 G 447 TRP LEU ASN GLY LYS GLU TYR LYS CYS LYS VAL SER ASN SEQRES 26 G 447 LYS ALA LEU PRO ALA PRO ILE GLU LYS THR ILE SER LYS SEQRES 27 G 447 ALA LYS GLY GLN PRO ARG GLU PRO GLN VAL TYR THR LEU SEQRES 28 G 447 PRO PRO SER ARG GLU GLU MET THR LYS ASN GLN VAL SER SEQRES 29 G 447 LEU THR CYS LEU VAL LYS GLY PHE TYR PRO SER ASP ILE SEQRES 30 G 447 ALA VAL GLU TRP GLU SER ASN GLY GLN PRO GLU ASN ASN SEQRES 31 G 447 TYR LYS THR THR PRO PRO VAL LEU ASP SER ASP GLY SER SEQRES 32 G 447 PHE PHE LEU TYR SER LYS LEU THR VAL ASP LYS SER ARG SEQRES 33 G 447 TRP GLN GLN GLY ASN VAL PHE SER CYS SER VAL MET HIS SEQRES 34 G 447 GLU ALA LEU HIS ASN HIS TYR THR GLN LYS SER LEU SER SEQRES 35 G 447 LEU SER PRO GLY LYS SEQRES 1 I 214 GLU ILE VAL LEU THR GLN SER PRO GLY THR LEU SER LEU SEQRES 2 I 214 SER PRO GLY GLU ARG ALA THR LEU SER CYS ARG ALA SER SEQRES 3 I 214 GLN SER ILE SER SER TYR LEU ALA TRP TYR GLN GLN LYS SEQRES 4 I 214 PRO GLY GLN ALA PRO ARG LEU LEU ILE TYR GLY ALA SER SEQRES 5 I 214 SER ARG ALA THR GLY ILE PRO ASP ARG PHE SER GLY SER SEQRES 6 I 214 GLY SER GLU THR ASP PHE THR LEU THR ILE SER ARG LEU SEQRES 7 I 214 GLU PRO GLU ASP PHE ALA VAL TYR PHE CYS GLN GLN TYR SEQRES 8 I 214 GLY SER SER PRO ARG THR PHE GLY GLN GLY THR LYS LEU 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 447 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 J 447 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLU SEQRES 3 J 447 ILE THR VAL SER ARG ASN TYR MET SER TRP VAL ARG GLN SEQRES 4 J 447 ALA PRO GLY LYS GLY LEU GLU TRP VAL SER VAL ILE TYR SEQRES 5 J 447 SER GLY GLY SER THR PHE TYR ALA ASP SER VAL LYS GLY SEQRES 6 J 447 ARG PHE THR ILE SER ARG ASP ASN SER ARG ASN THR LEU SEQRES 7 J 447 TYR LEU GLN MET ASN SER LEU ARG ALA ASP ASP THR ALA SEQRES 8 J 447 VAL TYR TYR CYS ALA ARG ASP TYR GLY ASP PHE TYR PHE SEQRES 9 J 447 ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER SER SEQRES 10 J 447 ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SEQRES 11 J 447 SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU GLY SEQRES 12 J 447 CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SEQRES 13 J 447 SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS THR SEQRES 14 J 447 PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER LEU SEQRES 15 J 447 SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY THR SEQRES 16 J 447 GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER ASN SEQRES 17 J 447 THR LYS VAL ASP LYS ARG VAL GLU PRO LYS SER CYS ASP SEQRES 18 J 447 LYS THR HIS THR CYS PRO PRO CYS PRO ALA PRO GLU LEU SEQRES 19 J 447 LEU GLY GLY PRO SER VAL PHE LEU PHE PRO PRO LYS PRO SEQRES 20 J 447 LYS ASP THR LEU MET ILE SER ARG THR PRO GLU VAL THR SEQRES 21 J 447 CYS VAL VAL VAL ASP VAL SER HIS GLU ASP PRO GLU VAL SEQRES 22 J 447 LYS PHE ASN TRP TYR VAL ASP GLY VAL GLU VAL HIS ASN SEQRES 23 J 447 ALA LYS THR LYS PRO ARG GLU GLU GLN TYR ASN SER THR SEQRES 24 J 447 TYR ARG VAL VAL SER VAL LEU THR VAL LEU HIS GLN ASP SEQRES 25 J 447 TRP LEU ASN GLY LYS GLU TYR LYS CYS LYS VAL SER ASN SEQRES 26 J 447 LYS ALA LEU PRO ALA PRO ILE GLU LYS THR ILE SER LYS SEQRES 27 J 447 ALA LYS GLY GLN PRO ARG GLU PRO GLN VAL TYR THR LEU SEQRES 28 J 447 PRO PRO SER ARG GLU GLU MET THR LYS ASN GLN VAL SER SEQRES 29 J 447 LEU THR CYS LEU VAL LYS GLY PHE TYR PRO SER ASP ILE SEQRES 30 J 447 ALA VAL GLU TRP GLU SER ASN GLY GLN PRO GLU ASN ASN SEQRES 31 J 447 TYR LYS THR THR PRO PRO VAL LEU ASP SER ASP GLY SER SEQRES 32 J 447 PHE PHE LEU TYR SER LYS LEU THR VAL ASP LYS SER ARG SEQRES 33 J 447 TRP GLN GLN GLY ASN VAL PHE SER CYS SER VAL MET HIS SEQRES 34 J 447 GLU ALA LEU HIS ASN HIS TYR THR GLN LYS SER LEU SER SEQRES 35 J 447 LEU SER PRO GLY LYS HET NAG A1301 14 HET NAG A1302 14 HET NAG A1303 14 HET NAG A1304 14 HET NAG A1305 14 HET NAG A1306 14 HET NAG A1307 14 HET NAG A1308 14 HET NAG A1309 14 HET NAG B1301 14 HET NAG B1302 14 HET NAG B1303 14 HET NAG B1304 14 HET NAG B1305 14 HET NAG B1306 14 HET NAG B1307 14 HET NAG C1301 14 HET NAG C1302 14 HET NAG C1303 14 HET NAG C1304 14 HET NAG C1305 14 HET NAG C1306 14 HET NAG C1307 14 HET NAG D 1 14 HET NAG D 2 14 HET NAG E 1 14 HET NAG E 2 14 HET NAG H 1 14 HET NAG H 2 14 HET NAG K 1 14 HET NAG K 2 14 HET NAG L 1 14 HET NAG L 2 14 HET NAG M 1 14 HET NAG M 2 14 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 NAG S 1 14 HET NAG S 2 14 HET NAG T 1 14 HET NAG T 2 14 HET NAG U 1 14 HET NAG U 2 14 HET NAG V 1 14 HET NAG V 2 14 HET BMA V 3 11 HETNAM NAG N-ACETYL-D-GLUCOSAMINE HETNAM BMA BETA-D-MANNOSE FORMUL 8 NAG 53(C8 H15 N O6) FORMUL 45 BMA C6 H12 O6 HELIX 1 AA1 ASP A 294 LYS A 304 1 11 HELIX 2 AA2 PHE A 338 ASN A 343 1 6 HELIX 3 AA3 SER A 349 TRP A 353 5 5 HELIX 4 AA4 TYR A 365 SER A 371 1 7 HELIX 5 AA5 PRO A 384 LEU A 390 5 7 HELIX 6 AA6 GLY A 404 ARG A 408 1 5 HELIX 7 AA7 GLY A 416 ASN A 422 1 7 HELIX 8 AA8 SER A 438 SER A 443 1 6 HELIX 9 AA9 GLY A 502 TYR A 505 5 4 HELIX 10 AB1 ILE A 569 ASP A 571 5 3 HELIX 11 AB2 ASN A 616 ALA A 623 5 8 HELIX 12 AB3 ASP A 737 GLY A 744 1 8 HELIX 13 AB4 SER A 746 LEU A 754 1 9 HELIX 14 AB5 GLN A 755 GLY A 757 5 3 HELIX 15 AB6 SER A 758 ALA A 783 1 26 HELIX 16 AB7 SER A 816 VAL A 826 1 11 HELIX 17 AB8 THR A 866 SER A 884 1 19 HELIX 18 AB9 TRP A 886 GLY A 891 5 6 HELIX 19 AC1 PRO A 897 ILE A 909 1 13 HELIX 20 AC2 GLN A 913 GLU A 918 1 6 HELIX 21 AC3 ASN A 919 THR A 941 1 23 HELIX 22 AC4 LEU A 945 GLN A 965 1 21 HELIX 23 AC5 LEU A 966 SER A 968 5 3 HELIX 24 AC6 VAL A 976 LEU A 981 1 6 HELIX 25 AC7 LEU A 984 VAL A 1033 1 50 HELIX 26 AC8 ASN A 1125 VAL A 1129 5 5 HELIX 27 AC9 PRO A 1140 PHE A 1148 1 9 HELIX 28 AD1 ASP B 294 LYS B 304 1 11 HELIX 29 AD2 PRO B 337 ASN B 343 1 7 HELIX 30 AD3 SER B 349 TRP B 353 5 5 HELIX 31 AD4 TYR B 365 SER B 371 1 7 HELIX 32 AD5 SER B 383 LEU B 390 5 8 HELIX 33 AD6 GLY B 404 ARG B 408 1 5 HELIX 34 AD7 GLN B 409 ALA B 411 5 3 HELIX 35 AD8 THR B 415 ASP B 420 1 6 HELIX 36 AD9 ASN B 616 VAL B 620 5 5 HELIX 37 AE1 PRO B 631 GLY B 639 1 9 HELIX 38 AE2 ASP B 737 GLY B 744 1 8 HELIX 39 AE3 SER B 746 LEU B 754 1 9 HELIX 40 AE4 GLN B 755 GLY B 757 5 3 HELIX 41 AE5 SER B 758 ALA B 783 1 26 HELIX 42 AE6 SER B 816 VAL B 826 1 11 HELIX 43 AE7 THR B 866 SER B 884 1 19 HELIX 44 AE8 TRP B 886 GLY B 891 5 6 HELIX 45 AE9 PRO B 897 ILE B 909 1 13 HELIX 46 AF1 GLN B 913 GLU B 918 1 6 HELIX 47 AF2 ASN B 919 THR B 941 1 23 HELIX 48 AF3 PRO B 942 ALA B 944 5 3 HELIX 49 AF4 LEU B 945 GLN B 965 1 21 HELIX 50 AF5 LEU B 966 SER B 968 5 3 HELIX 51 AF6 VAL B 976 LEU B 984 1 9 HELIX 52 AF7 ASP B 985 CYS B 1032 1 48 HELIX 53 AF8 LEU B 1141 LYS B 1149 1 9 HELIX 54 AF9 ASP C 294 LEU C 303 1 10 HELIX 55 AG1 PHE C 338 ASN C 343 1 6 HELIX 56 AG2 SER C 349 TRP C 353 5 5 HELIX 57 AG3 TYR C 365 ASN C 370 1 6 HELIX 58 AG4 SER C 383 LEU C 390 5 8 HELIX 59 AG5 GLU C 406 ILE C 410 5 5 HELIX 60 AG6 GLY C 416 ASN C 422 1 7 HELIX 61 AG7 SER C 438 SER C 443 1 6 HELIX 62 AG8 GLY C 502 TYR C 505 5 4 HELIX 63 AG9 ASN C 616 THR C 618 5 3 HELIX 64 AH1 GLU C 619 ILE C 624 1 6 HELIX 65 AH2 PRO C 631 TYR C 636 5 6 HELIX 66 AH3 SER C 746 LEU C 754 1 9 HELIX 67 AH4 GLN C 755 GLY C 757 5 3 HELIX 68 AH5 SER C 758 ALA C 783 1 26 HELIX 69 AH6 SER C 816 VAL C 826 1 11 HELIX 70 AH7 THR C 866 GLY C 885 1 20 HELIX 71 AH8 TRP C 886 ALA C 890 5 5 HELIX 72 AH9 PRO C 897 ASN C 907 1 11 HELIX 73 AI1 GLY C 908 GLY C 910 5 3 HELIX 74 AI2 GLN C 913 GLU C 918 1 6 HELIX 75 AI3 ASN C 919 THR C 941 1 23 HELIX 76 AI4 LEU C 945 GLN C 965 1 21 HELIX 77 AI5 LEU C 966 SER C 968 5 3 HELIX 78 AI6 VAL C 976 LEU C 984 1 9 HELIX 79 AI7 ASP C 985 VAL C 1033 1 49 HELIX 80 AI8 LEU C 1141 PHE C 1148 1 8 HELIX 81 AI9 GLU F 79 PHE F 83 5 5 HELIX 82 AJ1 SER F 121 SER F 127 1 7 HELIX 83 AJ2 LYS F 183 HIS F 189 1 7 HELIX 84 AJ3 GLY F 212 CYS F 214 5 3 HELIX 85 AJ4 ASP G 61 LYS G 64 5 4 HELIX 86 AJ5 ASN G 73 ARG G 75 5 3 HELIX 87 AJ6 SER G 191 THR G 195 5 5 HELIX 88 AJ7 GLU I 79 PHE I 83 5 5 HELIX 89 AJ8 SER I 121 GLY I 128 1 8 HELIX 90 AJ9 LYS I 183 HIS I 189 1 7 HELIX 91 AK1 GLY I 212 CYS I 214 5 3 HELIX 92 AK2 THR J 28 ASN J 32 5 5 HELIX 93 AK3 ASP J 61 LYS J 64 5 4 HELIX 94 AK4 ARG J 86 THR J 90 5 5 HELIX 95 AK5 SER J 132 SER J 136 5 5 HELIX 96 AK6 SER J 160 ALA J 162 5 3 HELIX 97 AK7 SER J 191 THR J 195 5 5 SHEET 1 AA1 8 ALA A 27 TYR A 28 0 SHEET 2 AA1 8 THR A 63 ALA A 67 -1 O TRP A 64 N ALA A 27 SHEET 3 AA1 8 ALA A 263 TYR A 269 -1 O VAL A 267 N THR A 63 SHEET 4 AA1 8 VAL A 90 THR A 95 -1 N TYR A 91 O GLY A 268 SHEET 5 AA1 8 LEU A 189 ILE A 197 -1 O PHE A 192 N PHE A 92 SHEET 6 AA1 8 TYR A 200 THR A 208 -1 O THR A 208 N LEU A 189 SHEET 7 AA1 8 ALA A 222 LEU A 229 -1 O GLU A 224 N SER A 205 SHEET 8 AA1 8 VAL A 36 TYR A 37 1 N VAL A 36 O LEU A 223 SHEET 1 AA2 2 SER A 31 PHE A 32 0 SHEET 2 AA2 2 PHE A 59 SER A 60 -1 O SER A 60 N SER A 31 SHEET 1 AA3 2 VAL A 42 PHE A 43 0 SHEET 2 AA3 2 PHE C 565 GLY C 566 1 O PHE C 565 N PHE A 43 SHEET 1 AA4 3 LEU A 48 PHE A 55 0 SHEET 2 AA4 3 GLN A 271 TYR A 279 -1 O PHE A 275 N THR A 51 SHEET 3 AA4 3 ILE A 285 ASP A 290 -1 O ASP A 287 N LYS A 278 SHEET 1 AA510 LEU A 84 PRO A 85 0 SHEET 2 AA510 ILE A 101 GLY A 107 0 SHEET 3 AA510 SER A 116 ASN A 121 -1 O ILE A 119 N TRP A 104 SHEET 4 AA510 VAL A 126 CYS A 131 -1 O LYS A 129 N LEU A 118 SHEET 5 AA510 PHE A 140 HIS A 146 0 SHEET 6 AA510 SER A 151 MET A 153 -1 O SER A 151 N HIS A 146 SHEET 7 AA510 PHE A 157 ARG A 158 -1 O ARG A 158 N PHE A 140 SHEET 8 AA510 PHE A 168 SER A 172 -1 O SER A 172 N VAL A 126 SHEET 9 AA510 ARG A 237 ARG A 246 1 O LEU A 242 N LEU A 141 SHEET 10 AA510 TRP A 258 THR A 259 -1 O THR A 259 N HIS A 245 SHEET 1 AA6 5 GLY A 311 ARG A 319 0 SHEET 2 AA6 5 PHE A 592 THR A 599 -1 O GLY A 593 N PHE A 318 SHEET 3 AA6 5 ALA A 609 TYR A 612 -1 O LEU A 611 N SER A 596 SHEET 4 AA6 5 GLY A 648 ILE A 651 -1 O ILE A 651 N VAL A 610 SHEET 5 AA6 5 VAL A 642 THR A 645 -1 N PHE A 643 O LEU A 650 SHEET 1 AA7 7 GLU A 324 SER A 325 0 SHEET 2 AA7 7 CYS A 538 PHE A 541 1 O ASN A 540 N GLU A 324 SHEET 3 AA7 7 GLY A 548 GLU A 554 -1 O GLY A 550 N VAL A 539 SHEET 4 AA7 7 ILE A 584 THR A 588 -1 O ASP A 586 N THR A 553 SHEET 5 AA7 7 THR A 573 ARG A 577 -1 N ASP A 574 O ILE A 587 SHEET 6 AA7 7 PHE A 565 ARG A 567 -1 N GLY A 566 O ALA A 575 SHEET 7 AA7 7 VAL B 42 PHE B 43 1 O PHE B 43 N ARG A 567 SHEET 1 AA8 5 ASN A 354 ILE A 358 0 SHEET 2 AA8 5 ASN A 394 ARG A 403 -1 O ALA A 397 N LYS A 356 SHEET 3 AA8 5 PRO A 507 GLU A 516 -1 O TYR A 508 N ILE A 402 SHEET 4 AA8 5 GLY A 431 ASN A 437 -1 N ILE A 434 O VAL A 511 SHEET 5 AA8 5 THR A 376 TYR A 380 -1 N LYS A 378 O VAL A 433 SHEET 1 AA9 2 CYS A 361 VAL A 362 0 SHEET 2 AA9 2 VAL A 524 CYS A 525 1 O CYS A 525 N CYS A 361 SHEET 1 AB1 2 LEU A 452 ARG A 454 0 SHEET 2 AB1 2 LEU A 492 SER A 494 -1 O GLN A 493 N TYR A 453 SHEET 1 AB2 2 TYR A 473 GLN A 474 0 SHEET 2 AB2 2 CYS A 488 TYR A 489 -1 O TYR A 489 N TYR A 473 SHEET 1 AB3 3 GLU A 654 TYR A 660 0 SHEET 2 AB3 3 ILE A 692 MET A 697 1 O ILE A 692 N GLU A 654 SHEET 3 AB3 3 ILE A 670 TYR A 674 -1 N SER A 673 O ILE A 693 SHEET 1 AB4 2 GLU A 702 ASN A 703 0 SHEET 2 AB4 2 ILE B 788 TYR B 789 1 O ILE B 788 N ASN A 703 SHEET 1 AB5 3 SER A 711 PRO A 728 0 SHEET 2 AB5 3 GLY A1059 THR A1076 -1 O PHE A1075 N ILE A 712 SHEET 3 AB5 3 TYR A1047 ALA A1056 -1 N GLN A1054 O VAL A1061 SHEET 1 AB6 2 THR A 734 VAL A 736 0 SHEET 2 AB6 2 LEU A 858 VAL A 860 -1 O THR A 859 N SER A 735 SHEET 1 AB7 4 THR A1120 SER A1123 0 SHEET 2 AB7 4 LYS A1086 PRO A1090 -1 N PHE A1089 O PHE A1121 SHEET 3 AB7 4 ILE A1081 HIS A1083 -1 N ILE A1081 O HIS A1088 SHEET 4 AB7 4 VAL A1133 ASN A1134 1 O VAL A1133 N CYS A1082 SHEET 1 AB8 2 VAL A1094 VAL A1096 0 SHEET 2 AB8 2 PHE A1103 THR A1105 -1 O PHE A1103 N VAL A1096 SHEET 1 AB9 8 THR B 29 SER B 31 0 SHEET 2 AB9 8 SER B 60 HIS B 69 -1 O VAL B 62 N THR B 29 SHEET 3 AB9 8 ARG B 78 PHE B 79 -1 O ARG B 78 N HIS B 69 SHEET 4 AB9 8 VAL B 90 THR B 95 0 SHEET 5 AB9 8 ASN B 188 ILE B 197 -1 O PHE B 192 N PHE B 92 SHEET 6 AB9 8 TYR B 200 PRO B 209 -1 O THR B 208 N LEU B 189 SHEET 7 AB9 8 GLU B 224 PRO B 230 -1 O GLU B 224 N SER B 205 SHEET 8 AB9 8 ALA B 263 TYR B 269 -1 O GLY B 268 N TYR B 91 SHEET 1 AC1 3 LEU B 48 PHE B 55 0 SHEET 2 AC1 3 GLN B 271 TYR B 279 -1 O PHE B 275 N THR B 51 SHEET 3 AC1 3 ILE B 285 ASP B 290 -1 O ASP B 287 N LYS B 278 SHEET 1 AC2 8 LEU B 84 PRO B 85 0 SHEET 2 AC2 8 ILE B 101 GLY B 107 0 SHEET 3 AC2 8 SER B 116 ASN B 121 -1 O LEU B 117 N PHE B 106 SHEET 4 AC2 8 VAL B 126 CYS B 131 -1 O LYS B 129 N LEU B 118 SHEET 5 AC2 8 LEU B 141 HIS B 146 0 SHEET 6 AC2 8 SER B 151 MET B 153 -1 O MET B 153 N TYR B 144 SHEET 7 AC2 8 PHE B 168 SER B 172 -1 O SER B 172 N VAL B 126 SHEET 8 AC2 8 ARG B 237 HIS B 245 1 O LEU B 244 N LEU B 141 SHEET 1 AC3 5 GLY B 311 ARG B 319 0 SHEET 2 AC3 5 PHE B 592 THR B 599 -1 O VAL B 597 N TYR B 313 SHEET 3 AC3 5 ALA B 609 TYR B 612 -1 O LEU B 611 N SER B 596 SHEET 4 AC3 5 GLY B 648 ILE B 651 -1 O ILE B 651 N VAL B 610 SHEET 5 AC3 5 VAL B 642 THR B 645 -1 N PHE B 643 O LEU B 650 SHEET 1 AC4 5 GLU B 324 ARG B 328 0 SHEET 2 AC4 5 VAL B 539 PHE B 543 1 O ASN B 540 N ILE B 326 SHEET 3 AC4 5 THR B 547 GLU B 554 -1 O GLY B 550 N VAL B 539 SHEET 4 AC4 5 ILE B 584 PRO B 589 -1 O ASP B 586 N THR B 553 SHEET 5 AC4 5 ALA B 575 ARG B 577 -1 N VAL B 576 O LEU B 585 SHEET 1 AC5 5 ASN B 354 ILE B 358 0 SHEET 2 AC5 5 VAL B 395 ARG B 403 -1 O ALA B 397 N LYS B 356 SHEET 3 AC5 5 PRO B 507 PHE B 515 -1 O VAL B 512 N ASP B 398 SHEET 4 AC5 5 GLY B 431 ASN B 437 -1 N ILE B 434 O VAL B 511 SHEET 5 AC5 5 THR B 376 TYR B 380 -1 N LYS B 378 O VAL B 433 SHEET 1 AC6 2 CYS B 361 VAL B 362 0 SHEET 2 AC6 2 VAL B 524 CYS B 525 1 O CYS B 525 N CYS B 361 SHEET 1 AC7 4 GLU B 654 HIS B 655 0 SHEET 2 AC7 4 ILE B 692 THR B 696 1 O ILE B 692 N GLU B 654 SHEET 3 AC7 4 ILE B 670 TYR B 674 -1 N SER B 673 O ILE B 693 SHEET 4 AC7 4 ILE B 664 ILE B 666 -1 N ILE B 666 O ILE B 670 SHEET 1 AC8 2 GLU B 702 ASN B 703 0 SHEET 2 AC8 2 ILE C 788 TYR C 789 1 O ILE C 788 N ASN B 703 SHEET 1 AC9 4 SER B 711 THR B 719 0 SHEET 2 AC9 4 THR B 723 PRO B 728 0 SHEET 3 AC9 4 TYR B1047 ALA B1056 0 SHEET 4 AC9 4 GLY B1059 THR B1076 -1 O TYR B1067 N TYR B1047 SHEET 1 AD1 2 LYS B 733 VAL B 736 0 SHEET 2 AD1 2 LEU B 858 LEU B 861 -1 O THR B 859 N SER B 735 SHEET 1 AD2 4 THR B1120 ASN B1125 0 SHEET 2 AD2 4 LYS B1086 PRO B1090 -1 N PHE B1089 O PHE B1121 SHEET 3 AD2 4 ILE B1081 HIS B1083 -1 N ILE B1081 O HIS B1088 SHEET 4 AD2 4 VAL B1133 ASN B1134 1 O VAL B1133 N CYS B1082 SHEET 1 AD3 3 VAL B1094 SER B1097 0 SHEET 2 AD3 3 TRP B1102 THR B1105 -1 O PHE B1103 N VAL B1096 SHEET 3 AD3 3 GLN B1113 ILE B1114 -1 O GLN B1113 N VAL B1104 SHEET 1 AD4 7 ALA C 27 SER C 31 0 SHEET 2 AD4 7 SER C 60 ALA C 67 -1 O TRP C 64 N ALA C 27 SHEET 3 AD4 7 ALA C 263 TYR C 269 -1 O ALA C 263 N ALA C 67 SHEET 4 AD4 7 VAL C 90 SER C 94 -1 N TYR C 91 O GLY C 268 SHEET 5 AD4 7 ASN C 188 ILE C 197 -1 O PHE C 192 N PHE C 92 SHEET 6 AD4 7 TYR C 200 PRO C 209 -1 O THR C 208 N LEU C 189 SHEET 7 AD4 7 GLU C 224 LEU C 229 -1 O GLU C 224 N SER C 205 SHEET 1 AD5 3 LEU C 48 PHE C 55 0 SHEET 2 AD5 3 GLN C 271 TYR C 279 -1 O PHE C 275 N THR C 51 SHEET 3 AD5 3 ILE C 285 ASP C 290 -1 O ASP C 287 N LYS C 278 SHEET 1 AD6 8 LEU C 84 PRO C 85 0 SHEET 2 AD6 8 ILE C 101 GLY C 107 0 SHEET 3 AD6 8 SER C 116 ASN C 121 -1 O LEU C 117 N PHE C 106 SHEET 4 AD6 8 VAL C 126 CYS C 131 -1 O LYS C 129 N LEU C 118 SHEET 5 AD6 8 LEU C 141 HIS C 146 0 SHEET 6 AD6 8 SER C 151 MET C 153 -1 O MET C 153 N TYR C 144 SHEET 7 AD6 8 PHE C 168 SER C 172 -1 O TYR C 170 N ILE C 128 SHEET 8 AD6 8 ARG C 237 HIS C 245 1 O LEU C 242 N LEU C 141 SHEET 1 AD7 5 GLY C 311 ARG C 319 0 SHEET 2 AD7 5 PHE C 592 THR C 599 -1 O VAL C 597 N TYR C 313 SHEET 3 AD7 5 ALA C 609 GLN C 613 -1 O LEU C 611 N SER C 596 SHEET 4 AD7 5 GLY C 648 ILE C 651 -1 O CYS C 649 N TYR C 612 SHEET 5 AD7 5 VAL C 642 THR C 645 -1 N THR C 645 O GLY C 648 SHEET 1 AD8 5 THR C 323 ILE C 326 0 SHEET 2 AD8 5 CYS C 538 ASN C 542 1 O CYS C 538 N THR C 323 SHEET 3 AD8 5 THR C 547 GLU C 554 -1 O GLY C 550 N VAL C 539 SHEET 4 AD8 5 ILE C 584 THR C 588 -1 O ASP C 586 N THR C 553 SHEET 5 AD8 5 VAL C 576 ARG C 577 -1 N VAL C 576 O LEU C 585 SHEET 1 AD9 5 ASN C 354 ILE C 358 0 SHEET 2 AD9 5 ASN C 394 ARG C 403 -1 O VAL C 395 N ILE C 358 SHEET 3 AD9 5 PRO C 507 GLU C 516 -1 O VAL C 512 N ASP C 398 SHEET 4 AD9 5 GLY C 431 ASN C 437 -1 N ILE C 434 O VAL C 511 SHEET 5 AD9 5 THR C 376 TYR C 380 -1 N LYS C 378 O VAL C 433 SHEET 1 AE1 2 LEU C 452 ARG C 454 0 SHEET 2 AE1 2 LEU C 492 SER C 494 -1 O GLN C 493 N TYR C 453 SHEET 1 AE2 2 TYR C 473 GLN C 474 0 SHEET 2 AE2 2 CYS C 488 TYR C 489 -1 O TYR C 489 N TYR C 473 SHEET 1 AE3 4 GLU C 654 HIS C 655 0 SHEET 2 AE3 4 ILE C 692 THR C 696 1 O ILE C 692 N GLU C 654 SHEET 3 AE3 4 ILE C 670 TYR C 674 -1 N SER C 673 O ILE C 693 SHEET 4 AE3 4 ILE C 664 ILE C 666 -1 N ILE C 666 O ILE C 670 SHEET 1 AE4 5 SER C 711 PRO C 728 0 SHEET 2 AE4 5 TYR C1047 ALA C1056 0 SHEET 3 AE4 5 GLY C1059 THR C1077 -1 O VAL C1061 N GLN C1054 SHEET 4 AE4 5 VAL C1094 SER C1097 -1 O SER C1097 N THR C1076 SHEET 5 AE4 5 TRP C1102 THR C1105 -1 O PHE C1103 N VAL C1096 SHEET 1 AE5 2 THR C 734 SER C 735 0 SHEET 2 AE5 2 THR C 859 VAL C 860 -1 O THR C 859 N SER C 735 SHEET 1 AE6 4 THR C1120 VAL C1122 0 SHEET 2 AE6 4 LYS C1086 PRO C1090 -1 N PHE C1089 O PHE C1121 SHEET 3 AE6 4 ILE C1081 HIS C1083 -1 N ILE C1081 O HIS C1088 SHEET 4 AE6 4 VAL C1133 ASN C1134 1 O VAL C1133 N CYS C1082 SHEET 1 AE7 4 LEU F 4 SER F 7 0 SHEET 2 AE7 4 ALA F 19 ALA F 25 -1 O ARG F 24 N THR F 5 SHEET 3 AE7 4 ASP F 70 ILE F 75 -1 O ILE F 75 N ALA F 19 SHEET 4 AE7 4 PHE F 62 GLY F 66 -1 N SER F 63 O THR F 74 SHEET 1 AE8 6 THR F 10 LEU F 13 0 SHEET 2 AE8 6 THR F 102 ILE F 106 1 O LYS F 103 N LEU F 11 SHEET 3 AE8 6 ALA F 84 GLN F 90 -1 N ALA F 84 O LEU F 104 SHEET 4 AE8 6 LEU F 33 GLN F 38 -1 N TYR F 36 O PHE F 87 SHEET 5 AE8 6 ARG F 45 TYR F 49 -1 O ARG F 45 N GLN F 37 SHEET 6 AE8 6 SER F 53 ARG F 54 -1 O SER F 53 N TYR F 49 SHEET 1 AE9 4 SER F 114 PHE F 118 0 SHEET 2 AE9 4 THR F 129 PHE F 139 -1 O VAL F 133 N PHE F 118 SHEET 3 AE9 4 TYR F 173 SER F 182 -1 O LEU F 179 N VAL F 132 SHEET 4 AE9 4 SER F 162 VAL F 163 -1 N SER F 162 O SER F 176 SHEET 1 AF1 4 ALA F 153 LEU F 154 0 SHEET 2 AF1 4 LYS F 145 VAL F 150 -1 N VAL F 150 O ALA F 153 SHEET 3 AF1 4 VAL F 191 THR F 197 -1 O GLU F 195 N GLN F 147 SHEET 4 AF1 4 VAL F 205 ASN F 210 -1 O PHE F 209 N TYR F 192 SHEET 1 AF2 4 LEU G 4 GLU G 6 0 SHEET 2 AF2 4 SER G 17 ALA G 24 -1 O ALA G 23 N VAL G 5 SHEET 3 AF2 4 THR G 77 ASN G 83 -1 O LEU G 80 N LEU G 20 SHEET 4 AF2 4 PHE G 67 ASP G 72 -1 N SER G 70 O TYR G 79 SHEET 1 AF3 6 GLY G 10 VAL G 12 0 SHEET 2 AF3 6 THR G 111 VAL G 115 1 O THR G 114 N GLY G 10 SHEET 3 AF3 6 ALA G 91 ARG G 97 -1 N ALA G 91 O VAL G 113 SHEET 4 AF3 6 MET G 34 GLN G 39 -1 N VAL G 37 O TYR G 94 SHEET 5 AF3 6 TRP G 47 ILE G 51 -1 O ILE G 51 N MET G 34 SHEET 6 AF3 6 THR G 57 TYR G 59 -1 O PHE G 58 N VAL G 50 SHEET 1 AF4 4 SER G 124 PRO G 127 0 SHEET 2 AF4 4 THR G 139 TYR G 149 -1 O LEU G 145 N PHE G 126 SHEET 3 AF4 4 TYR G 180 PRO G 189 -1 O TYR G 180 N TYR G 149 SHEET 4 AF4 4 VAL G 167 LEU G 174 -1 N HIS G 168 O VAL G 185 SHEET 1 AF5 3 THR G 155 SER G 157 0 SHEET 2 AF5 3 ILE G 199 HIS G 204 -1 O ASN G 203 N THR G 155 SHEET 3 AF5 3 THR G 209 ARG G 214 -1 O VAL G 211 N VAL G 202 SHEET 1 AF6 4 LEU I 4 SER I 7 0 SHEET 2 AF6 4 ALA I 19 ALA I 25 -1 O ARG I 24 N THR I 5 SHEET 3 AF6 4 ASP I 70 ILE I 75 -1 O LEU I 73 N LEU I 21 SHEET 4 AF6 4 PHE I 62 SER I 67 -1 N SER I 65 O THR I 72 SHEET 1 AF7 6 THR I 10 LEU I 13 0 SHEET 2 AF7 6 THR I 102 ILE I 106 1 O GLU I 105 N LEU I 13 SHEET 3 AF7 6 ALA I 84 GLN I 89 -1 N TYR I 86 O THR I 102 SHEET 4 AF7 6 ALA I 34 GLN I 38 -1 N TYR I 36 O PHE I 87 SHEET 5 AF7 6 ARG I 45 TYR I 49 -1 O ARG I 45 N GLN I 37 SHEET 6 AF7 6 SER I 53 ARG I 54 -1 O SER I 53 N TYR I 49 SHEET 1 AF8 4 SER I 114 PHE I 118 0 SHEET 2 AF8 4 THR I 129 PHE I 139 -1 O LEU I 135 N PHE I 116 SHEET 3 AF8 4 TYR I 173 SER I 182 -1 O LEU I 175 N LEU I 136 SHEET 4 AF8 4 SER I 159 VAL I 163 -1 N GLN I 160 O THR I 178 SHEET 1 AF9 4 ALA I 153 LEU I 154 0 SHEET 2 AF9 4 LYS I 145 VAL I 150 -1 N VAL I 150 O ALA I 153 SHEET 3 AF9 4 VAL I 191 THR I 197 -1 O ALA I 193 N LYS I 149 SHEET 4 AF9 4 VAL I 205 ASN I 210 -1 O LYS I 207 N CYS I 194 SHEET 1 AG1 4 LEU J 4 SER J 7 0 SHEET 2 AG1 4 SER J 17 ALA J 24 -1 O ALA J 23 N VAL J 5 SHEET 3 AG1 4 THR J 77 ASN J 83 -1 O LEU J 80 N LEU J 20 SHEET 4 AG1 4 PHE J 67 ASP J 72 -1 N ASP J 72 O THR J 77 SHEET 1 AG2 7 GLY J 10 VAL J 12 0 SHEET 2 AG2 7 MET J 34 ALA J 40 0 SHEET 3 AG2 7 GLY J 44 ILE J 51 -1 O ILE J 51 N MET J 34 SHEET 4 AG2 7 THR J 57 TYR J 59 -1 O PHE J 58 N VAL J 50 SHEET 5 AG2 7 ALA J 91 TYR J 99 -1 O VAL J 92 N GLN J 39 SHEET 6 AG2 7 TYR J 103 TRP J 107 -1 O TYR J 106 N ARG J 97 SHEET 7 AG2 7 THR J 111 VAL J 115 -1 O THR J 111 N TYR J 93 SHEET 1 AG3 5 SER J 124 LEU J 128 0 SHEET 2 AG3 5 THR J 139 TYR J 149 -1 O LEU J 145 N PHE J 126 SHEET 3 AG3 5 VAL J 167 THR J 169 0 SHEET 4 AG3 5 VAL J 173 LEU J 174 0 SHEET 5 AG3 5 TYR J 180 PRO J 189 -1 O SER J 181 N VAL J 173 SHEET 1 AG4 3 THR J 155 TRP J 158 0 SHEET 2 AG4 3 TYR J 198 HIS J 204 -1 O ASN J 201 N SER J 157 SHEET 3 AG4 3 THR J 209 VAL J 215 -1 O THR J 209 N HIS J 204 SSBOND 1 CYS A 1032 CYS A 1043 1555 1555 2.32 SSBOND 2 CYS C 336 CYS C 361 1555 1555 2.41 SSBOND 3 CYS C 1082 CYS C 1126 1555 1555 2.47 LINK ND2 ASN A 61 C1 NAG A1306 1555 1555 1.45 LINK ND2 ASN A 165 C1 NAG A1308 1555 1555 1.45 LINK ND2 ASN A 234 C1 NAG A1307 1555 1555 1.44 LINK ND2 ASN A 282 C1 NAG A1301 1555 1555 1.45 LINK ND2 ASN A 331 C1 NAG D 1 1555 1555 1.44 LINK ND2 ASN A 343 C1 NAG M 1 1555 1555 1.44 LINK ND2 ASN A 603 C1 NAG A1309 1555 1555 1.45 LINK ND2 ASN A 616 C1 NAG A1303 1555 1555 1.44 LINK ND2 ASN A 657 C1 NAG A1302 1555 1555 1.44 LINK ND2 ASN A 709 C1 NAG L 1 1555 1555 1.44 LINK ND2 ASN A 717 C1 NAG K 1 1555 1555 1.44 LINK ND2 ASN A 801 C1 NAG A1304 1555 1555 1.44 LINK ND2 ASN A1074 C1 NAG A1305 1555 1555 1.44 LINK ND2 ASN A1098 C1 NAG H 1 1555 1555 1.51 LINK ND2 ASN A1134 C1 NAG E 1 1555 1555 1.44 LINK ND2 ASN B 17 C1 NAG B1307 1555 1555 1.45 LINK ND2 ASN B 282 C1 NAG B1301 1555 1555 1.44 LINK ND2 ASN B 603 C1 NAG B1306 1555 1555 1.45 LINK ND2 ASN B 616 C1 NAG B1303 1555 1555 1.44 LINK ND2 ASN B 657 C1 NAG B1302 1555 1555 1.44 LINK ND2 ASN B 709 C1 NAG B1304 1555 1555 1.44 LINK ND2 ASN B 717 C1 NAG P 1 1555 1555 1.43 LINK ND2 ASN B 801 C1 NAG Q 1 1555 1555 1.43 LINK ND2 ASN B1074 C1 NAG B1305 1555 1555 1.44 LINK ND2 ASN B1098 C1 NAG O 1 1555 1555 1.44 LINK ND2 ASN B1134 C1 NAG N 1 1555 1555 1.44 LINK ND2 ASN C 165 C1 NAG C1307 1555 1555 1.44 LINK ND2 ASN C 282 C1 NAG C1301 1555 1555 1.44 LINK ND2 ASN C 331 C1 NAG V 1 1555 1555 1.45 LINK ND2 ASN C 343 C1 NAG U 1 1555 1555 1.44 LINK ND2 ASN C 603 C1 NAG C1306 1555 1555 1.44 LINK ND2 ASN C 616 C1 NAG C1303 1555 1555 1.44 LINK ND2 ASN C 657 C1 NAG C1302 1555 1555 1.44 LINK ND2 ASN C 709 C1 NAG C1304 1555 1555 1.44 LINK ND2 ASN C 717 C1 NAG T 1 1555 1555 1.43 LINK ND2 ASN C1074 C1 NAG C1305 1555 1555 1.44 LINK ND2 ASN C1098 C1 NAG S 1 1555 1555 1.44 LINK ND2 ASN C1134 C1 NAG R 1 1555 1555 1.44 LINK O4 NAG D 1 C1 NAG D 2 1555 1555 1.44 LINK O4 NAG E 1 C1 NAG E 2 1555 1555 1.44 LINK O4 NAG H 1 C1 NAG H 2 1555 1555 1.44 LINK O4 NAG K 1 C1 NAG K 2 1555 1555 1.44 LINK O4 NAG L 1 C1 NAG L 2 1555 1555 1.44 LINK O4 NAG M 1 C1 NAG M 2 1555 1555 1.44 LINK O4 NAG N 1 C1 NAG N 2 1555 1555 1.44 LINK O4 NAG O 1 C1 NAG O 2 1555 1555 1.43 LINK O4 NAG P 1 C1 NAG P 2 1555 1555 1.44 LINK O4 NAG Q 1 C1 NAG Q 2 1555 1555 1.44 LINK O4 NAG R 1 C1 NAG R 2 1555 1555 1.44 LINK O4 NAG S 1 C1 NAG S 2 1555 1555 1.44 LINK O4 NAG T 1 C1 NAG T 2 1555 1555 1.44 LINK O4 NAG U 1 C1 NAG U 2 1555 1555 1.44 LINK O4 NAG V 1 C1 NAG V 2 1555 1555 1.44 LINK O4 NAG V 2 C1 BMA V 3 1555 1555 1.44 CISPEP 1 SER F 7 PRO F 8 0 -0.69 CISPEP 2 SER F 94 PRO F 95 0 5.48 CISPEP 3 TYR F 140 PRO F 141 0 7.96 CISPEP 4 PHE G 150 PRO G 151 0 -6.18 CISPEP 5 GLU G 152 PRO G 153 0 3.23 CISPEP 6 SER I 7 PRO I 8 0 -0.20 CISPEP 7 SER I 94 PRO I 95 0 17.27 CISPEP 8 TYR I 140 PRO I 141 0 3.31 CISPEP 9 PHE J 150 PRO J 151 0 -6.72 CISPEP 10 GLU J 152 PRO J 153 0 -0.35 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