HEADER VIRAL PROTEIN 05-DEC-24 9HLS TITLE STRUCTURE OF A16/G9 (VACCINIA VIRUS) IN COMPLEX WITH VHH D07, VHH B01 TITLE 2 AND VHH C05 COMPND MOL_ID: 1; COMPND 2 MOLECULE: VIRION MEMBRANE PROTEIN OPG143; COMPND 3 CHAIN: A, F; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: ENTRY-FUSION COMPLEX PROTEIN OPG094; COMPND 7 CHAIN: B, G; COMPND 8 SYNONYM: EFC PROTEIN OPG094,MYRISTOYLATED PROTEIN G9,PROTEIN F1; COMPND 9 ENGINEERED: YES; COMPND 10 MOL_ID: 3; COMPND 11 MOLECULE: VHH D07; COMPND 12 CHAIN: C, H; COMPND 13 ENGINEERED: YES; COMPND 14 MOL_ID: 4; COMPND 15 MOLECULE: VHH B01; COMPND 16 CHAIN: D, I; COMPND 17 ENGINEERED: YES; COMPND 18 MOL_ID: 5; COMPND 19 MOLECULE: VHH C05; COMPND 20 CHAIN: J, E; COMPND 21 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS WESTERN RESERVE; SOURCE 3 ORGANISM_TAXID: 696871; SOURCE 4 GENE: OPG143, VACWR136, A16L; SOURCE 5 EXPRESSION_SYSTEM: DROSOPHILA MELANOGASTER; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 7227; SOURCE 7 EXPRESSION_SYSTEM_CELL_LINE: S2 CELLS; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: VACCINIA VIRUS WESTERN RESERVE; SOURCE 10 ORGANISM_TAXID: 696871; SOURCE 11 GENE: OPG094, VACWR087, G9R; SOURCE 12 EXPRESSION_SYSTEM: DROSOPHILA MELANOGASTER; SOURCE 13 EXPRESSION_SYSTEM_TAXID: 7227; SOURCE 14 EXPRESSION_SYSTEM_CELL_LINE: S2 CELLS; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: VICUGNA PACOS; SOURCE 17 ORGANISM_TAXID: 30538; SOURCE 18 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 19 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 20 MOL_ID: 4; SOURCE 21 ORGANISM_SCIENTIFIC: VICUGNA PACOS; SOURCE 22 ORGANISM_TAXID: 30538; SOURCE 23 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 24 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 25 MOL_ID: 5; SOURCE 26 ORGANISM_SCIENTIFIC: VICUGNA PACOS; SOURCE 27 ORGANISM_TAXID: 30538; SOURCE 28 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 29 EXPRESSION_SYSTEM_TAXID: 469008 KEYWDS POXVIRUS, VIRAL FUSION, VACCINIA VIRUS, MPOX VIRUS, VIRAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR R.VERNUCCIO,A.MEOLA,P.GUARDADO-CALVO REVDAT 2 10-SEP-25 9HLS 1 JRNL REVDAT 1 03-SEP-25 9HLS 0 JRNL AUTH A.MEOLA,R.VERNUCCIO,L.BATTINI,G.ALBERICIO,P.DELGADO, JRNL AUTH 2 R.BAMFORD,L.POKORNY,M.BROUTIN,A.MARTINEZ LEON,S.GALLIEN, JRNL AUTH 3 M.GIL,M.A.NORIEGA,F.GUIVEL-BENHASSINE,F.PORROT,J.POSTAL, JRNL AUTH 4 J.BUCHRIESER,M.HUBERT,A.HAOUZ,P.LAFAYE,M.ESTEBAN,J.S.HUB, JRNL AUTH 5 M.MAHEVAS,P.CHAPPERT,J.MERCER,J.GARCIA-ARRIAZA,O.SCHWARTZ, JRNL AUTH 6 P.GUARDADO-CALVO JRNL TITL STRUCTURAL BASIS OF POXVIRUS FUSION REGULATION AND JRNL TITL 2 ANTI-A16/G9 ANTIBODY-MEDIATED NEUTRALIZATION AND PROTECTION. JRNL REF CELL 2025 JRNL REFN ISSN 1097-4172 JRNL PMID 40865523 JRNL DOI 10.1016/J.CELL.2025.07.040 REMARK 2 REMARK 2 RESOLUTION. 3.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.21.2_5419 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : GEOSTD + MONOMER LIBRARY + CDL V1.2 REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.72 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 3 NUMBER OF REFLECTIONS : 44327 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.239 REMARK 3 R VALUE (WORKING SET) : 0.237 REMARK 3 FREE R VALUE : 0.292 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.780 REMARK 3 FREE R VALUE TEST SET COUNT : 2117 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 39.7200 - 7.8700 0.95 2787 124 0.1870 0.2135 REMARK 3 2 7.8700 - 6.2600 0.99 2820 140 0.2178 0.2540 REMARK 3 3 6.2600 - 5.4700 0.99 2828 147 0.2292 0.2759 REMARK 3 4 5.4700 - 4.9700 0.98 2800 137 0.2068 0.2425 REMARK 3 5 4.9700 - 4.6100 0.99 2826 155 0.1948 0.2575 REMARK 3 6 4.6100 - 4.3400 0.99 2808 147 0.2053 0.3025 REMARK 3 7 4.3400 - 4.1200 0.99 2813 147 0.2212 0.2966 REMARK 3 8 4.1200 - 3.9500 1.00 2813 150 0.2480 0.2768 REMARK 3 9 3.9500 - 3.7900 1.00 2832 128 0.2529 0.3251 REMARK 3 10 3.7900 - 3.6600 0.98 2795 126 0.2722 0.3480 REMARK 3 11 3.6600 - 3.5500 0.99 2838 139 0.2677 0.3812 REMARK 3 12 3.5500 - 3.4500 0.99 2835 130 0.2934 0.3513 REMARK 3 13 3.4500 - 3.3600 0.99 2797 143 0.3156 0.3652 REMARK 3 14 3.3600 - 3.2700 0.99 2802 147 0.3366 0.3565 REMARK 3 15 3.2700 - 3.2000 0.99 2816 157 0.3453 0.4027 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.10 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.490 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 32.965 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 66.43 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 83.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.002 14645 REMARK 3 ANGLE : 0.456 19812 REMARK 3 CHIRALITY : 0.040 2071 REMARK 3 PLANARITY : 0.004 2590 REMARK 3 DIHEDRAL : 10.142 5402 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 54 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 5 THROUGH 28 ) REMARK 3 ORIGIN FOR THE GROUP (A): 96.2215 56.2600 12.0718 REMARK 3 T TENSOR REMARK 3 T11: 1.0354 T22: 1.2055 REMARK 3 T33: 1.0804 T12: -0.2960 REMARK 3 T13: -0.2320 T23: -0.0721 REMARK 3 L TENSOR REMARK 3 L11: 0.6601 L22: 0.4479 REMARK 3 L33: 1.1282 L12: -0.3585 REMARK 3 L13: -0.8246 L23: 0.7013 REMARK 3 S TENSOR REMARK 3 S11: 0.0300 S12: 0.7948 S13: -0.4852 REMARK 3 S21: 1.1777 S22: -0.5383 S23: -0.2501 REMARK 3 S31: -0.6378 S32: 0.8145 S33: 0.0008 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 29 THROUGH 127 ) REMARK 3 ORIGIN FOR THE GROUP (A): 83.9147 48.6550 14.3987 REMARK 3 T TENSOR REMARK 3 T11: 0.8028 T22: 0.7979 REMARK 3 T33: 0.7510 T12: -0.0511 REMARK 3 T13: -0.0819 T23: 0.0310 REMARK 3 L TENSOR REMARK 3 L11: 1.8332 L22: 2.4797 REMARK 3 L33: 1.6145 L12: 0.8770 REMARK 3 L13: 0.4736 L23: 1.4888 REMARK 3 S TENSOR REMARK 3 S11: -0.4025 S12: 0.4863 S13: 0.1873 REMARK 3 S21: -0.0439 S22: 0.1299 S23: 0.0393 REMARK 3 S31: -0.4618 S32: 0.0568 S33: -0.0001 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 128 THROUGH 182 ) REMARK 3 ORIGIN FOR THE GROUP (A): 63.4562 18.2424 10.1932 REMARK 3 T TENSOR REMARK 3 T11: 0.8018 T22: 0.7892 REMARK 3 T33: 0.6904 T12: -0.0748 REMARK 3 T13: -0.0366 T23: 0.0562 REMARK 3 L TENSOR REMARK 3 L11: 0.4788 L22: 2.3173 REMARK 3 L33: 0.1446 L12: 1.7336 REMARK 3 L13: 0.6035 L23: 0.6895 REMARK 3 S TENSOR REMARK 3 S11: -0.0291 S12: -0.0302 S13: -0.3281 REMARK 3 S21: 0.2219 S22: 0.4114 S23: -0.0953 REMARK 3 S31: 0.1001 S32: 0.3696 S33: 0.0001 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESID 183 THROUGH 291 ) REMARK 3 ORIGIN FOR THE GROUP (A): 42.1404 -5.9973 12.3993 REMARK 3 T TENSOR REMARK 3 T11: 0.6118 T22: 0.8676 REMARK 3 T33: 0.6981 T12: 0.0200 REMARK 3 T13: 0.0557 T23: 0.0271 REMARK 3 L TENSOR REMARK 3 L11: 3.2090 L22: 2.6348 REMARK 3 L33: 1.6796 L12: 2.2171 REMARK 3 L13: -1.4271 L23: -0.6379 REMARK 3 S TENSOR REMARK 3 S11: -0.4066 S12: 0.2166 S13: -0.4494 REMARK 3 S21: -0.2342 S22: 0.2950 S23: -0.1954 REMARK 3 S31: 0.1286 S32: 0.1711 S33: -0.0001 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 7 THROUGH 95 ) REMARK 3 ORIGIN FOR THE GROUP (A): 59.8720 34.8399 12.3613 REMARK 3 T TENSOR REMARK 3 T11: 0.7008 T22: 0.8065 REMARK 3 T33: 0.6773 T12: -0.0174 REMARK 3 T13: -0.0395 T23: 0.0125 REMARK 3 L TENSOR REMARK 3 L11: 2.8099 L22: 0.7413 REMARK 3 L33: 0.6838 L12: 1.1044 REMARK 3 L13: -0.3847 L23: -0.0288 REMARK 3 S TENSOR REMARK 3 S11: 0.0648 S12: -0.1449 S13: 0.0349 REMARK 3 S21: 0.0152 S22: -0.1532 S23: -0.0087 REMARK 3 S31: -0.0811 S32: 0.2069 S33: 0.0000 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 96 THROUGH 143 ) REMARK 3 ORIGIN FOR THE GROUP (A): 39.3345 21.2749 16.4978 REMARK 3 T TENSOR REMARK 3 T11: 0.7007 T22: 0.8405 REMARK 3 T33: 0.7322 T12: 0.0242 REMARK 3 T13: -0.0546 T23: 0.0127 REMARK 3 L TENSOR REMARK 3 L11: 1.3660 L22: 3.1254 REMARK 3 L33: 1.9970 L12: 1.0280 REMARK 3 L13: -0.7306 L23: 1.6371 REMARK 3 S TENSOR REMARK 3 S11: 0.2059 S12: -0.1605 S13: 0.1746 REMARK 3 S21: -0.0727 S22: -0.1617 S23: 0.0113 REMARK 3 S31: -0.2652 S32: -0.0620 S33: 0.0000 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 144 THROUGH 159 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.1961 8.2456 26.7120 REMARK 3 T TENSOR REMARK 3 T11: 0.6911 T22: 0.8221 REMARK 3 T33: 0.7224 T12: 0.0227 REMARK 3 T13: -0.1627 T23: 0.0548 REMARK 3 L TENSOR REMARK 3 L11: 0.7170 L22: 0.2175 REMARK 3 L33: 0.4479 L12: -0.3119 REMARK 3 L13: -0.5842 L23: 0.3040 REMARK 3 S TENSOR REMARK 3 S11: -0.8618 S12: -0.8074 S13: -0.1301 REMARK 3 S21: 0.0888 S22: 0.3531 S23: -0.5514 REMARK 3 S31: -0.2327 S32: 0.8886 S33: 0.0051 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'B' AND (RESID 160 THROUGH 268 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.8570 -6.8871 29.2552 REMARK 3 T TENSOR REMARK 3 T11: 0.6120 T22: 0.7571 REMARK 3 T33: 0.7415 T12: -0.0403 REMARK 3 T13: 0.0043 T23: -0.0143 REMARK 3 L TENSOR REMARK 3 L11: 1.5835 L22: 1.8369 REMARK 3 L33: 0.5785 L12: 0.7890 REMARK 3 L13: -0.3198 L23: -0.9423 REMARK 3 S TENSOR REMARK 3 S11: -0.0136 S12: -0.2587 S13: -0.1799 REMARK 3 S21: 0.1858 S22: 0.0273 S23: -0.0263 REMARK 3 S31: 0.1002 S32: 0.0725 S33: 0.0002 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 3 THROUGH 12 ) REMARK 3 ORIGIN FOR THE GROUP (A): 18.6083 -33.1049 50.4844 REMARK 3 T TENSOR REMARK 3 T11: 1.4957 T22: 1.5323 REMARK 3 T33: 0.7654 T12: -0.2300 REMARK 3 T13: 0.1746 T23: 0.4720 REMARK 3 L TENSOR REMARK 3 L11: 1.7334 L22: 0.2968 REMARK 3 L33: 0.5549 L12: 0.3854 REMARK 3 L13: 0.7503 L23: 0.4022 REMARK 3 S TENSOR REMARK 3 S11: 0.2397 S12: -0.2567 S13: -0.8528 REMARK 3 S21: 0.2152 S22: -0.0444 S23: 0.1721 REMARK 3 S31: -0.0524 S32: 0.5867 S33: 0.0033 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 13 THROUGH 30 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.2465 -22.5509 51.0061 REMARK 3 T TENSOR REMARK 3 T11: 1.3605 T22: 0.9671 REMARK 3 T33: 1.0496 T12: 0.0917 REMARK 3 T13: -0.0664 T23: -0.0204 REMARK 3 L TENSOR REMARK 3 L11: 0.4024 L22: 0.4831 REMARK 3 L33: 0.5208 L12: 0.4235 REMARK 3 L13: -0.2658 L23: -0.3259 REMARK 3 S TENSOR REMARK 3 S11: 0.4903 S12: 0.1959 S13: -0.4712 REMARK 3 S21: 0.6361 S22: -1.3813 S23: 0.7356 REMARK 3 S31: 0.0536 S32: -0.3885 S33: -0.0003 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 31 THROUGH 41 ) REMARK 3 ORIGIN FOR THE GROUP (A): 19.6435 -28.5108 39.9034 REMARK 3 T TENSOR REMARK 3 T11: 0.8890 T22: 1.0180 REMARK 3 T33: 1.0817 T12: -0.1428 REMARK 3 T13: 0.0596 T23: -0.0224 REMARK 3 L TENSOR REMARK 3 L11: 0.4369 L22: 0.4535 REMARK 3 L33: 0.0490 L12: 0.4685 REMARK 3 L13: -0.1864 L23: -0.2028 REMARK 3 S TENSOR REMARK 3 S11: 0.1070 S12: 0.1917 S13: -0.2842 REMARK 3 S21: 0.0736 S22: -0.2287 S23: 0.6233 REMARK 3 S31: -0.1514 S32: 0.4753 S33: 0.0006 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 42 THROUGH 53 ) REMARK 3 ORIGIN FOR THE GROUP (A): 10.2849 -22.9383 40.3267 REMARK 3 T TENSOR REMARK 3 T11: 0.9576 T22: 1.4121 REMARK 3 T33: 1.3304 T12: -0.0309 REMARK 3 T13: 0.0790 T23: 0.1591 REMARK 3 L TENSOR REMARK 3 L11: 0.0951 L22: -0.0029 REMARK 3 L33: 0.1716 L12: 0.0526 REMARK 3 L13: 0.1341 L23: 0.0579 REMARK 3 S TENSOR REMARK 3 S11: -0.1934 S12: -1.5589 S13: 0.3675 REMARK 3 S21: 1.4511 S22: -0.1979 S23: 0.5518 REMARK 3 S31: -0.0582 S32: 0.7189 S33: 0.0006 REMARK 3 TLS GROUP : 13 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 54 THROUGH 74 ) REMARK 3 ORIGIN FOR THE GROUP (A): 22.5987 -19.1015 39.0672 REMARK 3 T TENSOR REMARK 3 T11: 0.7835 T22: 1.0872 REMARK 3 T33: 0.8004 T12: -0.0421 REMARK 3 T13: -0.1643 T23: 0.0915 REMARK 3 L TENSOR REMARK 3 L11: 0.3408 L22: 0.8352 REMARK 3 L33: 0.7657 L12: 0.3557 REMARK 3 L13: 0.4107 L23: 0.8320 REMARK 3 S TENSOR REMARK 3 S11: -0.0489 S12: 0.2603 S13: -0.1454 REMARK 3 S21: 0.6718 S22: -0.2052 S23: 0.2625 REMARK 3 S31: -0.0196 S32: 0.0221 S33: 0.0006 REMARK 3 TLS GROUP : 14 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 75 THROUGH 93 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.4759 -20.0153 47.5991 REMARK 3 T TENSOR REMARK 3 T11: 1.2021 T22: 0.4507 REMARK 3 T33: 0.9044 T12: 0.0498 REMARK 3 T13: 0.0635 T23: 0.0382 REMARK 3 L TENSOR REMARK 3 L11: 0.6600 L22: 0.9984 REMARK 3 L33: 1.1456 L12: 0.6870 REMARK 3 L13: 0.4845 L23: 0.1371 REMARK 3 S TENSOR REMARK 3 S11: -0.1793 S12: 0.1045 S13: -0.7187 REMARK 3 S21: 0.6145 S22: -0.0044 S23: 1.1996 REMARK 3 S31: 0.1497 S32: 0.1136 S33: 0.0001 REMARK 3 TLS GROUP : 15 REMARK 3 SELECTION: CHAIN 'C' AND (RESID 94 THROUGH 119 ) REMARK 3 ORIGIN FOR THE GROUP (A): 15.5239 -30.4644 42.2156 REMARK 3 T TENSOR REMARK 3 T11: 1.1921 T22: 1.0235 REMARK 3 T33: 1.2496 T12: -0.1638 REMARK 3 T13: 0.2951 T23: 0.1179 REMARK 3 L TENSOR REMARK 3 L11: 1.1377 L22: 0.2443 REMARK 3 L33: 0.8182 L12: -0.3767 REMARK 3 L13: 0.9206 L23: -0.0492 REMARK 3 S TENSOR REMARK 3 S11: 0.3758 S12: -0.0224 S13: -0.6093 REMARK 3 S21: 0.9072 S22: -0.3896 S23: 1.1312 REMARK 3 S31: 0.7697 S32: -0.0869 S33: 0.0112 REMARK 3 TLS GROUP : 16 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 4 THROUGH 68 ) REMARK 3 ORIGIN FOR THE GROUP (A): 6.3178 -2.7915 12.1360 REMARK 3 T TENSOR REMARK 3 T11: 0.6512 T22: 0.8737 REMARK 3 T33: 0.7991 T12: -0.0426 REMARK 3 T13: -0.0369 T23: 0.0258 REMARK 3 L TENSOR REMARK 3 L11: 2.7363 L22: 1.3239 REMARK 3 L33: 2.8501 L12: 0.6593 REMARK 3 L13: 1.5152 L23: 0.0946 REMARK 3 S TENSOR REMARK 3 S11: -0.0241 S12: -0.0108 S13: -0.0050 REMARK 3 S21: -0.0645 S22: -0.0098 S23: 0.3642 REMARK 3 S31: -0.2128 S32: 0.0000 S33: -0.0001 REMARK 3 TLS GROUP : 17 REMARK 3 SELECTION: CHAIN 'D' AND (RESID 69 THROUGH 120 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.0160 -2.5815 10.6821 REMARK 3 T TENSOR REMARK 3 T11: 0.5883 T22: 0.7397 REMARK 3 T33: 0.8231 T12: 0.0650 REMARK 3 T13: -0.0484 T23: -0.0907 REMARK 3 L TENSOR REMARK 3 L11: 1.6515 L22: 0.3957 REMARK 3 L33: 1.7820 L12: 0.7418 REMARK 3 L13: 0.3802 L23: 0.7997 REMARK 3 S TENSOR REMARK 3 S11: 0.1304 S12: 0.5516 S13: -0.2560 REMARK 3 S21: 0.0426 S22: 0.0186 S23: -0.0658 REMARK 3 S31: 0.0254 S32: 0.0472 S33: -0.0001 REMARK 3 TLS GROUP : 18 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 3 THROUGH 54 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.5244 30.7688 -57.8201 REMARK 3 T TENSOR REMARK 3 T11: 0.7877 T22: 0.9234 REMARK 3 T33: 0.8622 T12: 0.1085 REMARK 3 T13: 0.0463 T23: 0.0512 REMARK 3 L TENSOR REMARK 3 L11: 0.8875 L22: 1.1288 REMARK 3 L33: 2.2775 L12: -0.0685 REMARK 3 L13: -0.4854 L23: 1.7483 REMARK 3 S TENSOR REMARK 3 S11: -0.0222 S12: -0.4432 S13: 0.1628 REMARK 3 S21: -0.0924 S22: 0.1078 S23: 0.2117 REMARK 3 S31: -0.1824 S32: 0.5914 S33: 0.0001 REMARK 3 TLS GROUP : 19 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 55 THROUGH 68 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.0578 41.0654 -50.6598 REMARK 3 T TENSOR REMARK 3 T11: 0.8697 T22: 0.5552 REMARK 3 T33: 0.8029 T12: 0.1661 REMARK 3 T13: 0.0362 T23: -0.1264 REMARK 3 L TENSOR REMARK 3 L11: 1.4773 L22: 0.1947 REMARK 3 L33: 2.0861 L12: 0.4884 REMARK 3 L13: -1.7764 L23: -0.5413 REMARK 3 S TENSOR REMARK 3 S11: 1.1198 S12: 0.3104 S13: 0.0228 REMARK 3 S21: 0.4979 S22: -0.3072 S23: -0.2594 REMARK 3 S31: -2.0537 S32: -0.3375 S33: 0.0479 REMARK 3 TLS GROUP : 20 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 69 THROUGH 92 ) REMARK 3 ORIGIN FOR THE GROUP (A): 38.3688 37.7630 -59.5542 REMARK 3 T TENSOR REMARK 3 T11: 0.8561 T22: 0.5704 REMARK 3 T33: 0.8042 T12: 0.0356 REMARK 3 T13: 0.0795 T23: -0.0108 REMARK 3 L TENSOR REMARK 3 L11: 0.4223 L22: 0.2862 REMARK 3 L33: 1.1759 L12: -0.1176 REMARK 3 L13: 0.5424 L23: 0.2234 REMARK 3 S TENSOR REMARK 3 S11: 0.4767 S12: 0.3264 S13: 0.2437 REMARK 3 S21: 0.4948 S22: -0.1071 S23: 0.1373 REMARK 3 S31: -0.2506 S32: 0.3415 S33: 0.0000 REMARK 3 TLS GROUP : 21 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 93 THROUGH 103 ) REMARK 3 ORIGIN FOR THE GROUP (A): 42.4489 27.6499 -52.6977 REMARK 3 T TENSOR REMARK 3 T11: 0.9400 T22: 0.0645 REMARK 3 T33: 0.5386 T12: 0.2231 REMARK 3 T13: -0.0574 T23: -0.0124 REMARK 3 L TENSOR REMARK 3 L11: 4.0555 L22: 3.7138 REMARK 3 L33: 1.5489 L12: 1.3558 REMARK 3 L13: 1.1315 L23: -1.6652 REMARK 3 S TENSOR REMARK 3 S11: -0.5081 S12: 1.1370 S13: -0.2669 REMARK 3 S21: -1.1895 S22: 0.0046 S23: 0.0635 REMARK 3 S31: 1.0693 S32: 0.3489 S33: -0.2502 REMARK 3 TLS GROUP : 22 REMARK 3 SELECTION: CHAIN 'J' AND (RESID 104 THROUGH 123 ) REMARK 3 ORIGIN FOR THE GROUP (A): 44.7263 28.3223 -56.5123 REMARK 3 T TENSOR REMARK 3 T11: 0.8074 T22: 0.6225 REMARK 3 T33: 0.7182 T12: 0.0354 REMARK 3 T13: -0.0102 T23: 0.0228 REMARK 3 L TENSOR REMARK 3 L11: 0.3317 L22: 0.1374 REMARK 3 L33: 0.3030 L12: -0.3941 REMARK 3 L13: -0.5754 L23: 0.2173 REMARK 3 S TENSOR REMARK 3 S11: 0.2692 S12: -0.8595 S13: 0.7823 REMARK 3 S21: -0.3478 S22: 0.3176 S23: 0.3362 REMARK 3 S31: 1.3860 S32: 0.8813 S33: 0.2023 REMARK 3 TLS GROUP : 23 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 5 THROUGH 28 ) REMARK 3 ORIGIN FOR THE GROUP (A): 96.2989 -28.7170 -12.8740 REMARK 3 T TENSOR REMARK 3 T11: 0.8505 T22: 1.1113 REMARK 3 T33: 0.9594 T12: 0.1394 REMARK 3 T13: 0.2271 T23: 0.0063 REMARK 3 L TENSOR REMARK 3 L11: 1.3787 L22: 0.5386 REMARK 3 L33: 0.7548 L12: -0.7338 REMARK 3 L13: 0.1839 L23: 0.3345 REMARK 3 S TENSOR REMARK 3 S11: 0.1969 S12: 0.0940 S13: 0.2843 REMARK 3 S21: -1.4022 S22: -0.8027 S23: -0.5750 REMARK 3 S31: 0.0617 S32: -0.0464 S33: -0.0001 REMARK 3 TLS GROUP : 24 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 29 THROUGH 108 ) REMARK 3 ORIGIN FOR THE GROUP (A): 84.4453 -18.2582 -14.4490 REMARK 3 T TENSOR REMARK 3 T11: 0.6425 T22: 1.0128 REMARK 3 T33: 0.6941 T12: 0.0567 REMARK 3 T13: 0.0938 T23: -0.0101 REMARK 3 L TENSOR REMARK 3 L11: 0.7849 L22: 2.6408 REMARK 3 L33: 2.0963 L12: -0.0784 REMARK 3 L13: 0.5341 L23: 0.7705 REMARK 3 S TENSOR REMARK 3 S11: -0.0696 S12: -0.1423 S13: -0.3224 REMARK 3 S21: -0.2184 S22: -0.1862 S23: -0.0667 REMARK 3 S31: 0.2505 S32: 0.1592 S33: 0.0000 REMARK 3 TLS GROUP : 25 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 109 THROUGH 182 ) REMARK 3 ORIGIN FOR THE GROUP (A): 68.3092 -1.3796 -11.9997 REMARK 3 T TENSOR REMARK 3 T11: 0.7557 T22: 0.8919 REMARK 3 T33: 0.6527 T12: 0.0337 REMARK 3 T13: -0.0821 T23: 0.0356 REMARK 3 L TENSOR REMARK 3 L11: 1.8505 L22: 3.2228 REMARK 3 L33: -0.3516 L12: -1.8359 REMARK 3 L13: -0.8318 L23: -0.8262 REMARK 3 S TENSOR REMARK 3 S11: 0.0642 S12: 0.3685 S13: 0.0522 REMARK 3 S21: 0.1737 S22: -0.1994 S23: -0.0292 REMARK 3 S31: 0.1020 S32: -0.2077 S33: -0.0004 REMARK 3 TLS GROUP : 26 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 183 THROUGH 238 ) REMARK 3 ORIGIN FOR THE GROUP (A): 47.4499 26.3548 -12.4137 REMARK 3 T TENSOR REMARK 3 T11: 0.7190 T22: 1.0077 REMARK 3 T33: 0.6728 T12: 0.0551 REMARK 3 T13: -0.0158 T23: 0.0406 REMARK 3 L TENSOR REMARK 3 L11: 1.3750 L22: 1.1748 REMARK 3 L33: 0.0374 L12: 0.1268 REMARK 3 L13: 0.4541 L23: 0.0200 REMARK 3 S TENSOR REMARK 3 S11: -0.3127 S12: -0.5680 S13: 0.0301 REMARK 3 S21: 0.4399 S22: 0.1383 S23: -0.1052 REMARK 3 S31: 0.3220 S32: 0.3189 S33: 0.0002 REMARK 3 TLS GROUP : 27 REMARK 3 SELECTION: CHAIN 'F' AND (RESID 239 THROUGH 291 ) REMARK 3 ORIGIN FOR THE GROUP (A): 36.7261 41.1863 -13.7190 REMARK 3 T TENSOR REMARK 3 T11: 0.8277 T22: 1.0755 REMARK 3 T33: 0.8872 T12: 0.0169 REMARK 3 T13: -0.1185 T23: -0.0951 REMARK 3 L TENSOR REMARK 3 L11: 1.3679 L22: 2.4608 REMARK 3 L33: 1.1986 L12: -1.5937 REMARK 3 L13: 0.1770 L23: 0.4154 REMARK 3 S TENSOR REMARK 3 S11: -0.3921 S12: -0.1140 S13: 1.0485 REMARK 3 S21: 0.1351 S22: 0.4191 S23: -0.1192 REMARK 3 S31: -0.6718 S32: 0.2510 S33: 0.0002 REMARK 3 TLS GROUP : 28 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 7 THROUGH 116 ) REMARK 3 ORIGIN FOR THE GROUP (A): 56.7921 -5.9695 -12.1010 REMARK 3 T TENSOR REMARK 3 T11: 0.7403 T22: 0.9880 REMARK 3 T33: 0.6786 T12: -0.0182 REMARK 3 T13: 0.0289 T23: -0.0314 REMARK 3 L TENSOR REMARK 3 L11: 2.4184 L22: 1.0775 REMARK 3 L33: 0.7001 L12: -1.2101 REMARK 3 L13: 1.3579 L23: -1.0567 REMARK 3 S TENSOR REMARK 3 S11: -0.0728 S12: -0.5376 S13: -0.1005 REMARK 3 S21: 0.0119 S22: 0.1212 S23: 0.0949 REMARK 3 S31: 0.0306 S32: 0.1632 S33: 0.0001 REMARK 3 TLS GROUP : 29 REMARK 3 SELECTION: CHAIN 'G' AND (RESID 117 THROUGH 268 ) REMARK 3 ORIGIN FOR THE GROUP (A): 30.2347 29.3384 -29.1259 REMARK 3 T TENSOR REMARK 3 T11: 0.6094 T22: 0.7292 REMARK 3 T33: 0.6517 T12: 0.1072 REMARK 3 T13: 0.0420 T23: -0.0380 REMARK 3 L TENSOR REMARK 3 L11: 2.4384 L22: 3.4387 REMARK 3 L33: 1.6706 L12: -1.5727 REMARK 3 L13: 0.4770 L23: 0.1397 REMARK 3 S TENSOR REMARK 3 S11: 0.0298 S12: -0.0129 S13: -0.0215 REMARK 3 S21: -0.1605 S22: -0.0841 S23: 0.0597 REMARK 3 S31: -0.1437 S32: -0.1234 S33: 0.0001 REMARK 3 TLS GROUP : 30 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 3 THROUGH 12 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.7749 61.6970 -51.8494 REMARK 3 T TENSOR REMARK 3 T11: 2.0265 T22: 1.1285 REMARK 3 T33: 0.8906 T12: 0.4875 REMARK 3 T13: -0.2139 T23: -0.1960 REMARK 3 L TENSOR REMARK 3 L11: 1.6052 L22: 0.7231 REMARK 3 L33: 0.1770 L12: -0.4810 REMARK 3 L13: -0.4891 L23: 0.2940 REMARK 3 S TENSOR REMARK 3 S11: 0.0021 S12: 0.4487 S13: 0.6966 REMARK 3 S21: -1.0953 S22: 0.4114 S23: 0.7117 REMARK 3 S31: 0.8193 S32: 0.1322 S33: 0.0058 REMARK 3 TLS GROUP : 31 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 13 THROUGH 19 ) REMARK 3 ORIGIN FOR THE GROUP (A): 17.8870 39.4849 -57.9396 REMARK 3 T TENSOR REMARK 3 T11: 2.0333 T22: 0.7978 REMARK 3 T33: 1.4687 T12: 0.1602 REMARK 3 T13: 0.0537 T23: -0.1894 REMARK 3 L TENSOR REMARK 3 L11: 0.0235 L22: 0.0278 REMARK 3 L33: 0.0316 L12: -0.0050 REMARK 3 L13: 0.0128 L23: -0.0397 REMARK 3 S TENSOR REMARK 3 S11: 0.3391 S12: 0.1073 S13: 0.3779 REMARK 3 S21: 0.1635 S22: 0.0306 S23: 1.2699 REMARK 3 S31: 0.7065 S32: 0.1152 S33: 0.0016 REMARK 3 TLS GROUP : 32 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 20 THROUGH 30 ) REMARK 3 ORIGIN FOR THE GROUP (A): 25.5580 58.1861 -49.3017 REMARK 3 T TENSOR REMARK 3 T11: 1.9760 T22: 1.5030 REMARK 3 T33: 0.9689 T12: 0.2869 REMARK 3 T13: 0.1405 T23: 0.1725 REMARK 3 L TENSOR REMARK 3 L11: 1.6841 L22: 0.1229 REMARK 3 L33: 0.0107 L12: -0.4231 REMARK 3 L13: -0.1142 L23: 0.0445 REMARK 3 S TENSOR REMARK 3 S11: 0.5400 S12: -0.1235 S13: 0.6341 REMARK 3 S21: -0.4585 S22: -1.0331 S23: -0.5080 REMARK 3 S31: 0.3865 S32: 0.8003 S33: 0.0044 REMARK 3 TLS GROUP : 33 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 31 THROUGH 61 ) REMARK 3 ORIGIN FOR THE GROUP (A): 20.6163 53.7709 -39.7545 REMARK 3 T TENSOR REMARK 3 T11: 1.3531 T22: 1.2214 REMARK 3 T33: 1.0836 T12: 0.1808 REMARK 3 T13: -0.1878 T23: -0.0089 REMARK 3 L TENSOR REMARK 3 L11: 0.1317 L22: 0.1660 REMARK 3 L33: 0.1971 L12: -0.1608 REMARK 3 L13: -0.0109 L23: 0.1170 REMARK 3 S TENSOR REMARK 3 S11: -0.4054 S12: 1.1474 S13: 0.6762 REMARK 3 S21: -1.2894 S22: -0.1175 S23: 1.0279 REMARK 3 S31: -1.3750 S32: -0.7016 S33: 0.0009 REMARK 3 TLS GROUP : 34 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 62 THROUGH 74 ) REMARK 3 ORIGIN FOR THE GROUP (A): 22.9856 45.6153 -42.6731 REMARK 3 T TENSOR REMARK 3 T11: 1.2009 T22: 1.2269 REMARK 3 T33: 1.0688 T12: 0.1314 REMARK 3 T13: 0.1368 T23: -0.0775 REMARK 3 L TENSOR REMARK 3 L11: 0.2666 L22: 0.3664 REMARK 3 L33: 0.0682 L12: -0.2839 REMARK 3 L13: -0.0948 L23: 0.0473 REMARK 3 S TENSOR REMARK 3 S11: -0.3812 S12: 0.3024 S13: -0.0598 REMARK 3 S21: -1.1349 S22: -0.4726 S23: -0.2307 REMARK 3 S31: -0.7477 S32: -0.2013 S33: -0.0002 REMARK 3 TLS GROUP : 35 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 75 THROUGH 84 ) REMARK 3 ORIGIN FOR THE GROUP (A): 28.9279 54.6811 -48.2376 REMARK 3 T TENSOR REMARK 3 T11: 1.7693 T22: 0.9315 REMARK 3 T33: 1.0188 T12: 0.1450 REMARK 3 T13: 0.0231 T23: -0.2164 REMARK 3 L TENSOR REMARK 3 L11: 0.0983 L22: -0.0084 REMARK 3 L33: 0.0175 L12: 0.0210 REMARK 3 L13: -0.0279 L23: -0.0094 REMARK 3 S TENSOR REMARK 3 S11: 0.6060 S12: -0.4286 S13: -0.0887 REMARK 3 S21: 0.0978 S22: 0.2003 S23: -0.5497 REMARK 3 S31: -0.9477 S32: 0.2333 S33: 0.0006 REMARK 3 TLS GROUP : 36 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 85 THROUGH 101 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.4656 49.8276 -46.6252 REMARK 3 T TENSOR REMARK 3 T11: 1.6448 T22: 1.3028 REMARK 3 T33: 1.2420 T12: 0.7166 REMARK 3 T13: -0.3514 T23: -0.1563 REMARK 3 L TENSOR REMARK 3 L11: 0.5091 L22: 0.2789 REMARK 3 L33: 1.0859 L12: 0.0537 REMARK 3 L13: -0.6935 L23: -0.3852 REMARK 3 S TENSOR REMARK 3 S11: 0.0819 S12: -0.0893 S13: -0.1301 REMARK 3 S21: -1.6481 S22: -1.2045 S23: 1.7895 REMARK 3 S31: -1.1189 S32: -0.7101 S33: -0.0045 REMARK 3 TLS GROUP : 37 REMARK 3 SELECTION: CHAIN 'H' AND (RESID 102 THROUGH 119 ) REMARK 3 ORIGIN FOR THE GROUP (A): 16.8373 59.0140 -44.1493 REMARK 3 T TENSOR REMARK 3 T11: 2.0366 T22: 0.5277 REMARK 3 T33: 1.3715 T12: 0.5186 REMARK 3 T13: -0.3860 T23: -0.0176 REMARK 3 L TENSOR REMARK 3 L11: 0.1942 L22: 0.0609 REMARK 3 L33: 0.0294 L12: -0.0765 REMARK 3 L13: -0.1407 L23: 0.0552 REMARK 3 S TENSOR REMARK 3 S11: 0.1013 S12: 0.2858 S13: -0.3059 REMARK 3 S21: -0.2077 S22: 0.0931 S23: 0.7535 REMARK 3 S31: -0.3381 S32: -0.3039 S33: 0.0733 REMARK 3 TLS GROUP : 38 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 4 THROUGH 18 ) REMARK 3 ORIGIN FOR THE GROUP (A): -0.4399 27.6331 -9.1831 REMARK 3 T TENSOR REMARK 3 T11: 0.7792 T22: 1.5565 REMARK 3 T33: 1.4744 T12: 0.0373 REMARK 3 T13: 0.3621 T23: 0.0278 REMARK 3 L TENSOR REMARK 3 L11: 0.2130 L22: 0.0239 REMARK 3 L33: 0.0589 L12: 0.1262 REMARK 3 L13: -0.0659 L23: -0.0277 REMARK 3 S TENSOR REMARK 3 S11: 0.1778 S12: 0.2612 S13: 0.7844 REMARK 3 S21: 0.1642 S22: -0.4838 S23: 1.1484 REMARK 3 S31: -0.0452 S32: -0.6611 S33: -0.0040 REMARK 3 TLS GROUP : 39 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 19 THROUGH 31 ) REMARK 3 ORIGIN FOR THE GROUP (A): 11.1592 31.8314 -8.3761 REMARK 3 T TENSOR REMARK 3 T11: 0.9913 T22: 1.8366 REMARK 3 T33: 0.9938 T12: 0.3783 REMARK 3 T13: 0.2029 T23: 0.0233 REMARK 3 L TENSOR REMARK 3 L11: 0.0172 L22: 0.9678 REMARK 3 L33: 0.0740 L12: -0.0906 REMARK 3 L13: -0.0189 L23: 0.2136 REMARK 3 S TENSOR REMARK 3 S11: -0.3212 S12: -0.0934 S13: 0.7402 REMARK 3 S21: 1.1512 S22: 0.1968 S23: 0.7474 REMARK 3 S31: -0.0250 S32: -0.1524 S33: 0.0725 REMARK 3 TLS GROUP : 40 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 32 THROUGH 47 ) REMARK 3 ORIGIN FOR THE GROUP (A): 7.9611 25.2548 -18.8768 REMARK 3 T TENSOR REMARK 3 T11: 0.9652 T22: 1.1531 REMARK 3 T33: 1.1318 T12: -0.0570 REMARK 3 T13: 0.0456 T23: -0.1265 REMARK 3 L TENSOR REMARK 3 L11: 0.1457 L22: 0.9096 REMARK 3 L33: 0.1851 L12: 0.4179 REMARK 3 L13: 0.1665 L23: 0.4763 REMARK 3 S TENSOR REMARK 3 S11: 0.1532 S12: -0.4208 S13: -0.5125 REMARK 3 S21: -0.3404 S22: -0.3783 S23: 1.1061 REMARK 3 S31: 0.6656 S32: 0.2259 S33: -0.0116 REMARK 3 TLS GROUP : 41 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 48 THROUGH 61 ) REMARK 3 ORIGIN FOR THE GROUP (A): 9.2565 34.7983 -21.7685 REMARK 3 T TENSOR REMARK 3 T11: 0.6715 T22: 1.2127 REMARK 3 T33: 1.4020 T12: 0.1857 REMARK 3 T13: -0.0981 T23: 0.0160 REMARK 3 L TENSOR REMARK 3 L11: 0.3637 L22: 0.2499 REMARK 3 L33: 0.3346 L12: -0.0392 REMARK 3 L13: -0.1846 L23: -0.2192 REMARK 3 S TENSOR REMARK 3 S11: 0.1089 S12: -1.3991 S13: 0.9728 REMARK 3 S21: -1.1122 S22: -0.0470 S23: 1.5772 REMARK 3 S31: -0.3878 S32: -1.7208 S33: -0.0013 REMARK 3 TLS GROUP : 42 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 62 THROUGH 75 ) REMARK 3 ORIGIN FOR THE GROUP (A): 3.0931 36.3746 -19.4746 REMARK 3 T TENSOR REMARK 3 T11: 0.5887 T22: 1.5293 REMARK 3 T33: 1.5065 T12: 0.1205 REMARK 3 T13: 0.1143 T23: -0.0267 REMARK 3 L TENSOR REMARK 3 L11: 0.0023 L22: 1.5814 REMARK 3 L33: 1.6569 L12: -0.0923 REMARK 3 L13: 0.1179 L23: -1.6476 REMARK 3 S TENSOR REMARK 3 S11: 0.8063 S12: 0.5850 S13: 0.4386 REMARK 3 S21: 0.3748 S22: 0.5889 S23: 0.9057 REMARK 3 S31: -0.7995 S32: -1.0266 S33: 0.0800 REMARK 3 TLS GROUP : 43 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 76 THROUGH 108 ) REMARK 3 ORIGIN FOR THE GROUP (A): 8.2432 30.1680 -15.1953 REMARK 3 T TENSOR REMARK 3 T11: 0.7737 T22: 1.2915 REMARK 3 T33: 1.2197 T12: 0.0489 REMARK 3 T13: -0.1000 T23: -0.0981 REMARK 3 L TENSOR REMARK 3 L11: 0.2235 L22: 2.1127 REMARK 3 L33: 0.5724 L12: 0.3521 REMARK 3 L13: -0.3494 L23: -0.0776 REMARK 3 S TENSOR REMARK 3 S11: -0.2222 S12: -1.5432 S13: -0.5676 REMARK 3 S21: 0.0751 S22: 0.0753 S23: 1.0455 REMARK 3 S31: 0.0587 S32: -0.2939 S33: -0.0003 REMARK 3 TLS GROUP : 44 REMARK 3 SELECTION: CHAIN 'I' AND (RESID 109 THROUGH 120 ) REMARK 3 ORIGIN FOR THE GROUP (A): 5.8423 23.1069 -13.1163 REMARK 3 T TENSOR REMARK 3 T11: 0.8504 T22: 0.9464 REMARK 3 T33: 0.7399 T12: -0.4236 REMARK 3 T13: 0.1420 T23: 0.4204 REMARK 3 L TENSOR REMARK 3 L11: 5.5949 L22: 1.5692 REMARK 3 L33: 3.4203 L12: 1.7004 REMARK 3 L13: 1.8594 L23: 2.2553 REMARK 3 S TENSOR REMARK 3 S11: 1.4258 S12: 0.2830 S13: -0.2766 REMARK 3 S21: 0.2029 S22: 0.0687 S23: 0.3486 REMARK 3 S31: 0.8372 S32: 0.2971 S33: 1.2789 REMARK 3 TLS GROUP : 45 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 3 THROUGH 28 ) REMARK 3 ORIGIN FOR THE GROUP (A): 35.1627 -2.5932 62.3539 REMARK 3 T TENSOR REMARK 3 T11: 0.7904 T22: 0.9842 REMARK 3 T33: 0.7877 T12: 0.0170 REMARK 3 T13: -0.1040 T23: -0.0171 REMARK 3 L TENSOR REMARK 3 L11: 1.5796 L22: 1.0751 REMARK 3 L33: 1.4644 L12: -0.1199 REMARK 3 L13: -1.0152 L23: 1.0414 REMARK 3 S TENSOR REMARK 3 S11: -0.1345 S12: -0.6920 S13: -0.0900 REMARK 3 S21: 0.5069 S22: 0.1848 S23: -0.1157 REMARK 3 S31: 0.1114 S32: -0.2971 S33: -0.0003 REMARK 3 TLS GROUP : 46 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 29 THROUGH 41 ) REMARK 3 ORIGIN FOR THE GROUP (A): 36.7111 -0.5080 50.4543 REMARK 3 T TENSOR REMARK 3 T11: 0.7464 T22: 0.8841 REMARK 3 T33: 0.7245 T12: -0.0514 REMARK 3 T13: -0.0231 T23: 0.1844 REMARK 3 L TENSOR REMARK 3 L11: 0.3096 L22: 0.4109 REMARK 3 L33: 0.8203 L12: -0.1665 REMARK 3 L13: -0.4449 L23: 0.3837 REMARK 3 S TENSOR REMARK 3 S11: 0.2938 S12: 0.3701 S13: 0.3987 REMARK 3 S21: 1.1228 S22: -0.4213 S23: 0.0122 REMARK 3 S31: -1.1169 S32: -0.2305 S33: -0.0342 REMARK 3 TLS GROUP : 47 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 42 THROUGH 47 ) REMARK 3 ORIGIN FOR THE GROUP (A): 52.6133 -2.3077 59.5247 REMARK 3 T TENSOR REMARK 3 T11: 0.8258 T22: 1.5037 REMARK 3 T33: 0.9478 T12: -0.0811 REMARK 3 T13: 0.0818 T23: 0.0855 REMARK 3 L TENSOR REMARK 3 L11: 0.8206 L22: 0.0848 REMARK 3 L33: 0.5081 L12: 0.2400 REMARK 3 L13: 0.5192 L23: 0.2026 REMARK 3 S TENSOR REMARK 3 S11: -0.9538 S12: 1.6901 S13: 1.4452 REMARK 3 S21: -0.6120 S22: -0.2934 S23: 0.1624 REMARK 3 S31: 0.2633 S32: 0.2640 S33: -0.0274 REMARK 3 TLS GROUP : 48 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 48 THROUGH 54 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.5068 -7.7127 51.3316 REMARK 3 T TENSOR REMARK 3 T11: 0.8427 T22: 1.0705 REMARK 3 T33: 0.7057 T12: 0.1476 REMARK 3 T13: -0.1383 T23: 0.0955 REMARK 3 L TENSOR REMARK 3 L11: 0.0957 L22: 0.0574 REMARK 3 L33: 0.0366 L12: 0.0810 REMARK 3 L13: 0.0491 L23: 0.0381 REMARK 3 S TENSOR REMARK 3 S11: -0.7323 S12: -0.4971 S13: -1.8821 REMARK 3 S21: -0.3053 S22: 0.3207 S23: -1.2253 REMARK 3 S31: 0.7770 S32: 1.5057 S33: 0.0002 REMARK 3 TLS GROUP : 49 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 55 THROUGH 68 ) REMARK 3 ORIGIN FOR THE GROUP (A): 38.3879 -12.9434 49.7686 REMARK 3 T TENSOR REMARK 3 T11: 0.9864 T22: 0.9997 REMARK 3 T33: 0.7870 T12: 0.0020 REMARK 3 T13: -0.1320 T23: -0.0309 REMARK 3 L TENSOR REMARK 3 L11: 0.1753 L22: 0.1948 REMARK 3 L33: 0.2108 L12: 0.1075 REMARK 3 L13: 0.1464 L23: -0.0418 REMARK 3 S TENSOR REMARK 3 S11: -0.4284 S12: 0.1351 S13: 0.5530 REMARK 3 S21: 0.4443 S22: 0.0033 S23: -0.4857 REMARK 3 S31: 0.8006 S32: 0.2451 S33: -0.0052 REMARK 3 TLS GROUP : 50 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 69 THROUGH 78 ) REMARK 3 ORIGIN FOR THE GROUP (A): 29.4804 -6.6419 53.1809 REMARK 3 T TENSOR REMARK 3 T11: 0.8428 T22: 0.4508 REMARK 3 T33: 0.8049 T12: -0.1865 REMARK 3 T13: 0.0014 T23: -0.0399 REMARK 3 L TENSOR REMARK 3 L11: 1.1710 L22: 1.1007 REMARK 3 L33: 4.3432 L12: 0.1200 REMARK 3 L13: -1.9369 L23: -1.3088 REMARK 3 S TENSOR REMARK 3 S11: -0.0560 S12: 0.2116 S13: -0.8794 REMARK 3 S21: -0.3417 S22: 0.2342 S23: 1.2816 REMARK 3 S31: 0.6995 S32: -1.6628 S33: -0.5702 REMARK 3 TLS GROUP : 51 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 79 THROUGH 92 ) REMARK 3 ORIGIN FOR THE GROUP (A): 39.3218 -11.7103 62.3386 REMARK 3 T TENSOR REMARK 3 T11: 1.0900 T22: -0.1758 REMARK 3 T33: 0.8974 T12: -0.4541 REMARK 3 T13: -0.3090 T23: -0.0183 REMARK 3 L TENSOR REMARK 3 L11: 0.1868 L22: 1.2677 REMARK 3 L33: 0.1993 L12: -0.4426 REMARK 3 L13: -0.1492 L23: 0.3692 REMARK 3 S TENSOR REMARK 3 S11: -0.2048 S12: -0.3918 S13: 0.4690 REMARK 3 S21: 0.1426 S22: -0.0514 S23: -0.1836 REMARK 3 S31: 0.6529 S32: 0.0666 S33: -0.3311 REMARK 3 TLS GROUP : 52 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 93 THROUGH 103 ) REMARK 3 ORIGIN FOR THE GROUP (A): 39.9431 0.4704 51.8508 REMARK 3 T TENSOR REMARK 3 T11: 0.8288 T22: 1.0608 REMARK 3 T33: 0.6713 T12: -0.1542 REMARK 3 T13: 0.1384 T23: 0.0785 REMARK 3 L TENSOR REMARK 3 L11: 0.0014 L22: -0.0731 REMARK 3 L33: 0.2507 L12: 0.0800 REMARK 3 L13: 0.0971 L23: -0.1161 REMARK 3 S TENSOR REMARK 3 S11: -0.2448 S12: -0.5862 S13: -0.4841 REMARK 3 S21: 0.1296 S22: 0.1099 S23: 0.0683 REMARK 3 S31: 0.3697 S32: -0.2107 S33: 0.0013 REMARK 3 TLS GROUP : 53 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 104 THROUGH 112 ) REMARK 3 ORIGIN FOR THE GROUP (A): 41.1651 5.2404 43.4218 REMARK 3 T TENSOR REMARK 3 T11: 0.7239 T22: 1.5248 REMARK 3 T33: 0.7988 T12: -0.0149 REMARK 3 T13: -0.0466 T23: -0.2121 REMARK 3 L TENSOR REMARK 3 L11: 0.5274 L22: 4.5961 REMARK 3 L33: 0.3357 L12: 1.6019 REMARK 3 L13: 0.4377 L23: 1.2235 REMARK 3 S TENSOR REMARK 3 S11: 0.7603 S12: -0.1520 S13: -0.6325 REMARK 3 S21: 1.1465 S22: -0.1169 S23: -1.1825 REMARK 3 S31: 0.2867 S32: 1.7583 S33: -0.1319 REMARK 3 TLS GROUP : 54 REMARK 3 SELECTION: CHAIN 'E' AND (RESID 113 THROUGH 122 ) REMARK 3 ORIGIN FOR THE GROUP (A): 42.7523 -4.5387 67.5156 REMARK 3 T TENSOR REMARK 3 T11: 0.6794 T22: 0.8268 REMARK 3 T33: 0.5812 T12: -0.1212 REMARK 3 T13: 0.0091 T23: 0.1685 REMARK 3 L TENSOR REMARK 3 L11: 0.0598 L22: 0.3995 REMARK 3 L33: 0.9748 L12: -0.2424 REMARK 3 L13: -0.3400 L23: 0.6420 REMARK 3 S TENSOR REMARK 3 S11: -0.6373 S12: 0.6936 S13: 0.7054 REMARK 3 S21: -1.2752 S22: 0.4045 S23: -1.2172 REMARK 3 S31: -0.1322 S32: 0.0788 S33: 0.0019 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : 5 REMARK 3 NCS GROUP : ens_1 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "A" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "F" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : ens_2 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "B" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "G" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : ens_3 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : (chain "C" and (resid 3 through 40 or REMARK 3 resid 45 through 119)) REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "H" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : ens_4 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "D" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "I" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS GROUP : ens_5 REMARK 3 NCS OPERATOR : 1 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : chain "E" REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 NCS OPERATOR : 2 REMARK 3 REFERENCE SELECTION: NULL REMARK 3 SELECTION : (chain "J" and resid 3 through 122) REMARK 3 ATOM PAIRS NUMBER : NULL REMARK 3 RMSD : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 9HLS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-DEC-24. REMARK 100 THE DEPOSITION ID IS D_1292143743. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-MAY-24 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SOLEIL REMARK 200 BEAMLINE : PROXIMA 1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.978565 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 16M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 44399 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.200 REMARK 200 RESOLUTION RANGE LOW (A) : 39.720 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 5.900 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 4.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.32 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.18 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% W/V PEG 3350, 0.2 M KH2PO4 REMARK 280 (CRYOPROTECTED WITH 33% ETHYLENE GLYCOL), VAPOR DIFFUSION, REMARK 280 SITTING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 75.21750 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 97.14100 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 75.21750 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 97.14100 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: J, F, G, H, I 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 -18 REMARK 465 LYS A -17 REMARK 465 LEU A -16 REMARK 465 CYS A -15 REMARK 465 ILE A -14 REMARK 465 LEU A -13 REMARK 465 LEU A -12 REMARK 465 ALA A -11 REMARK 465 VAL A -10 REMARK 465 VAL A -9 REMARK 465 ALA A -8 REMARK 465 PHE A -7 REMARK 465 VAL A -6 REMARK 465 GLY A -5 REMARK 465 LEU A -4 REMARK 465 SER A -3 REMARK 465 LEU A -2 REMARK 465 GLY A -1 REMARK 465 ARG A 0 REMARK 465 SER A 1 REMARK 465 ALA A 2 REMARK 465 ALA A 3 REMARK 465 ALA A 4 REMARK 465 LYS A 292 REMARK 465 TYR A 293 REMARK 465 VAL A 294 REMARK 465 GLY A 295 REMARK 465 GLY A 296 REMARK 465 SER A 297 REMARK 465 GLY A 298 REMARK 465 LEU A 299 REMARK 465 VAL A 300 REMARK 465 PRO A 301 REMARK 465 ARG A 302 REMARK 465 GLY A 303 REMARK 465 SER A 304 REMARK 465 GLY A 305 REMARK 465 GLY A 306 REMARK 465 SER A 307 REMARK 465 GLY A 308 REMARK 465 GLY A 309 REMARK 465 SER A 310 REMARK 465 HIS A 311 REMARK 465 HIS A 312 REMARK 465 HIS A 313 REMARK 465 HIS A 314 REMARK 465 HIS A 315 REMARK 465 HIS A 316 REMARK 465 HIS A 317 REMARK 465 HIS A 318 REMARK 465 GLY A 319 REMARK 465 GLY A 320 REMARK 465 SER A 321 REMARK 465 GLY A 322 REMARK 465 THR A 323 REMARK 465 GLY A 324 REMARK 465 GLY A 325 REMARK 465 LEU A 326 REMARK 465 ASN A 327 REMARK 465 ASP A 328 REMARK 465 ILE A 329 REMARK 465 PHE A 330 REMARK 465 GLU A 331 REMARK 465 ALA A 332 REMARK 465 GLN A 333 REMARK 465 LYS A 334 REMARK 465 ILE A 335 REMARK 465 GLU A 336 REMARK 465 TRP A 337 REMARK 465 HIS A 338 REMARK 465 GLU A 339 REMARK 465 MET B -16 REMARK 465 LYS B -15 REMARK 465 LEU B -14 REMARK 465 CYS B -13 REMARK 465 ILE B -12 REMARK 465 LEU B -11 REMARK 465 LEU B -10 REMARK 465 ALA B -9 REMARK 465 VAL B -8 REMARK 465 VAL B -7 REMARK 465 ALA B -6 REMARK 465 PHE B -5 REMARK 465 VAL B -4 REMARK 465 GLY B -3 REMARK 465 LEU B -2 REMARK 465 SER B -1 REMARK 465 LEU B 0 REMARK 465 GLY B 1 REMARK 465 ALA B 2 REMARK 465 GLY B 3 REMARK 465 GLY B 4 REMARK 465 VAL B 5 REMARK 465 SER B 6 REMARK 465 ILE B 269 REMARK 465 VAL B 270 REMARK 465 ARG B 271 REMARK 465 GLY B 272 REMARK 465 SER B 273 REMARK 465 GLY B 274 REMARK 465 LEU B 275 REMARK 465 VAL B 276 REMARK 465 PRO B 277 REMARK 465 ARG B 278 REMARK 465 GLY B 279 REMARK 465 SER B 280 REMARK 465 LEU B 281 REMARK 465 GLU B 282 REMARK 465 ASP B 283 REMARK 465 ASP B 284 REMARK 465 ASP B 285 REMARK 465 ASP B 286 REMARK 465 LYS B 287 REMARK 465 ALA B 288 REMARK 465 GLY B 289 REMARK 465 TRP B 290 REMARK 465 SER B 291 REMARK 465 HIS B 292 REMARK 465 PRO B 293 REMARK 465 GLN B 294 REMARK 465 PHE B 295 REMARK 465 GLU B 296 REMARK 465 LYS B 297 REMARK 465 GLY B 298 REMARK 465 GLY B 299 REMARK 465 GLY B 300 REMARK 465 SER B 301 REMARK 465 GLY B 302 REMARK 465 GLY B 303 REMARK 465 GLY B 304 REMARK 465 SER B 305 REMARK 465 GLY B 306 REMARK 465 GLY B 307 REMARK 465 GLY B 308 REMARK 465 SER B 309 REMARK 465 TRP B 310 REMARK 465 SER B 311 REMARK 465 HIS B 312 REMARK 465 PRO B 313 REMARK 465 GLN B 314 REMARK 465 PHE B 315 REMARK 465 GLU B 316 REMARK 465 LYS B 317 REMARK 465 MET C 1 REMARK 465 GLY C 2 REMARK 465 SER C 120 REMARK 465 LEU C 121 REMARK 465 GLU C 122 REMARK 465 HIS C 123 REMARK 465 HIS C 124 REMARK 465 HIS C 125 REMARK 465 HIS C 126 REMARK 465 HIS C 127 REMARK 465 HIS C 128 REMARK 465 HIS C 129 REMARK 465 HIS C 130 REMARK 465 GLY C 131 REMARK 465 SER C 132 REMARK 465 GLY C 133 REMARK 465 LEU C 134 REMARK 465 VAL C 135 REMARK 465 PRO C 136 REMARK 465 ARG C 137 REMARK 465 GLY C 138 REMARK 465 SER C 139 REMARK 465 GLY C 140 REMARK 465 LEU C 141 REMARK 465 ASN C 142 REMARK 465 ASP C 143 REMARK 465 ILE C 144 REMARK 465 PHE C 145 REMARK 465 GLU C 146 REMARK 465 ALA C 147 REMARK 465 GLN C 148 REMARK 465 LYS C 149 REMARK 465 ILE C 150 REMARK 465 GLU C 151 REMARK 465 TRP C 152 REMARK 465 HIS C 153 REMARK 465 GLU C 154 REMARK 465 MET D 1 REMARK 465 GLY D 2 REMARK 465 GLU D 3 REMARK 465 SER D 121 REMARK 465 SER D 122 REMARK 465 LEU D 123 REMARK 465 GLU D 124 REMARK 465 HIS D 125 REMARK 465 HIS D 126 REMARK 465 HIS D 127 REMARK 465 HIS D 128 REMARK 465 HIS D 129 REMARK 465 HIS D 130 REMARK 465 HIS D 131 REMARK 465 HIS D 132 REMARK 465 GLY D 133 REMARK 465 SER D 134 REMARK 465 GLY D 135 REMARK 465 LEU D 136 REMARK 465 VAL D 137 REMARK 465 PRO D 138 REMARK 465 ARG D 139 REMARK 465 GLY D 140 REMARK 465 SER D 141 REMARK 465 GLY D 142 REMARK 465 LEU D 143 REMARK 465 ASN D 144 REMARK 465 ASP D 145 REMARK 465 ILE D 146 REMARK 465 PHE D 147 REMARK 465 GLU D 148 REMARK 465 ALA D 149 REMARK 465 GLN D 150 REMARK 465 LYS D 151 REMARK 465 ILE D 152 REMARK 465 GLU D 153 REMARK 465 TRP D 154 REMARK 465 HIS D 155 REMARK 465 GLU D 156 REMARK 465 MET J 1 REMARK 465 GLY J 2 REMARK 465 GLU J 124 REMARK 465 HIS J 125 REMARK 465 HIS J 126 REMARK 465 HIS J 127 REMARK 465 HIS J 128 REMARK 465 HIS J 129 REMARK 465 HIS J 130 REMARK 465 HIS J 131 REMARK 465 HIS J 132 REMARK 465 GLY J 133 REMARK 465 SER J 134 REMARK 465 GLY J 135 REMARK 465 LEU J 136 REMARK 465 VAL J 137 REMARK 465 PRO J 138 REMARK 465 ARG J 139 REMARK 465 GLY J 140 REMARK 465 SER J 141 REMARK 465 GLY J 142 REMARK 465 LEU J 143 REMARK 465 ASN J 144 REMARK 465 ASP J 145 REMARK 465 ILE J 146 REMARK 465 PHE J 147 REMARK 465 GLU J 148 REMARK 465 ALA J 149 REMARK 465 GLN J 150 REMARK 465 LYS J 151 REMARK 465 ILE J 152 REMARK 465 GLU J 153 REMARK 465 TRP J 154 REMARK 465 HIS J 155 REMARK 465 GLU J 156 REMARK 465 MET F -18 REMARK 465 LYS F -17 REMARK 465 LEU F -16 REMARK 465 CYS F -15 REMARK 465 ILE F -14 REMARK 465 LEU F -13 REMARK 465 LEU F -12 REMARK 465 ALA F -11 REMARK 465 VAL F -10 REMARK 465 VAL F -9 REMARK 465 ALA F -8 REMARK 465 PHE F -7 REMARK 465 VAL F -6 REMARK 465 GLY F -5 REMARK 465 LEU F -4 REMARK 465 SER F -3 REMARK 465 LEU F -2 REMARK 465 GLY F -1 REMARK 465 ARG F 0 REMARK 465 SER F 1 REMARK 465 ALA F 2 REMARK 465 ALA F 3 REMARK 465 ALA F 4 REMARK 465 LYS F 292 REMARK 465 TYR F 293 REMARK 465 VAL F 294 REMARK 465 GLY F 295 REMARK 465 GLY F 296 REMARK 465 SER F 297 REMARK 465 GLY F 298 REMARK 465 LEU F 299 REMARK 465 VAL F 300 REMARK 465 PRO F 301 REMARK 465 ARG F 302 REMARK 465 GLY F 303 REMARK 465 SER F 304 REMARK 465 GLY F 305 REMARK 465 GLY F 306 REMARK 465 SER F 307 REMARK 465 GLY F 308 REMARK 465 GLY F 309 REMARK 465 SER F 310 REMARK 465 HIS F 311 REMARK 465 HIS F 312 REMARK 465 HIS F 313 REMARK 465 HIS F 314 REMARK 465 HIS F 315 REMARK 465 HIS F 316 REMARK 465 HIS F 317 REMARK 465 HIS F 318 REMARK 465 GLY F 319 REMARK 465 GLY F 320 REMARK 465 SER F 321 REMARK 465 GLY F 322 REMARK 465 THR F 323 REMARK 465 GLY F 324 REMARK 465 GLY F 325 REMARK 465 LEU F 326 REMARK 465 ASN F 327 REMARK 465 ASP F 328 REMARK 465 ILE F 329 REMARK 465 PHE F 330 REMARK 465 GLU F 331 REMARK 465 ALA F 332 REMARK 465 GLN F 333 REMARK 465 LYS F 334 REMARK 465 ILE F 335 REMARK 465 GLU F 336 REMARK 465 TRP F 337 REMARK 465 HIS F 338 REMARK 465 GLU F 339 REMARK 465 MET G -16 REMARK 465 LYS G -15 REMARK 465 LEU G -14 REMARK 465 CYS G -13 REMARK 465 ILE G -12 REMARK 465 LEU G -11 REMARK 465 LEU G -10 REMARK 465 ALA G -9 REMARK 465 VAL G -8 REMARK 465 VAL G -7 REMARK 465 ALA G -6 REMARK 465 PHE G -5 REMARK 465 VAL G -4 REMARK 465 GLY G -3 REMARK 465 LEU G -2 REMARK 465 SER G -1 REMARK 465 LEU G 0 REMARK 465 GLY G 1 REMARK 465 ALA G 2 REMARK 465 GLY G 3 REMARK 465 GLY G 4 REMARK 465 VAL G 5 REMARK 465 SER G 6 REMARK 465 ILE G 269 REMARK 465 VAL G 270 REMARK 465 ARG G 271 REMARK 465 GLY G 272 REMARK 465 SER G 273 REMARK 465 GLY G 274 REMARK 465 LEU G 275 REMARK 465 VAL G 276 REMARK 465 PRO G 277 REMARK 465 ARG G 278 REMARK 465 GLY G 279 REMARK 465 SER G 280 REMARK 465 LEU G 281 REMARK 465 GLU G 282 REMARK 465 ASP G 283 REMARK 465 ASP G 284 REMARK 465 ASP G 285 REMARK 465 ASP G 286 REMARK 465 LYS G 287 REMARK 465 ALA G 288 REMARK 465 GLY G 289 REMARK 465 TRP G 290 REMARK 465 SER G 291 REMARK 465 HIS G 292 REMARK 465 PRO G 293 REMARK 465 GLN G 294 REMARK 465 PHE G 295 REMARK 465 GLU G 296 REMARK 465 LYS G 297 REMARK 465 GLY G 298 REMARK 465 GLY G 299 REMARK 465 GLY G 300 REMARK 465 SER G 301 REMARK 465 GLY G 302 REMARK 465 GLY G 303 REMARK 465 GLY G 304 REMARK 465 SER G 305 REMARK 465 GLY G 306 REMARK 465 GLY G 307 REMARK 465 GLY G 308 REMARK 465 SER G 309 REMARK 465 TRP G 310 REMARK 465 SER G 311 REMARK 465 HIS G 312 REMARK 465 PRO G 313 REMARK 465 GLN G 314 REMARK 465 PHE G 315 REMARK 465 GLU G 316 REMARK 465 LYS G 317 REMARK 465 MET H 1 REMARK 465 GLY H 2 REMARK 465 GLN H 41 REMARK 465 ALA H 42 REMARK 465 PRO H 43 REMARK 465 GLY H 44 REMARK 465 SER H 120 REMARK 465 LEU H 121 REMARK 465 GLU H 122 REMARK 465 HIS H 123 REMARK 465 HIS H 124 REMARK 465 HIS H 125 REMARK 465 HIS H 126 REMARK 465 HIS H 127 REMARK 465 HIS H 128 REMARK 465 HIS H 129 REMARK 465 HIS H 130 REMARK 465 GLY H 131 REMARK 465 SER H 132 REMARK 465 GLY H 133 REMARK 465 LEU H 134 REMARK 465 VAL H 135 REMARK 465 PRO H 136 REMARK 465 ARG H 137 REMARK 465 GLY H 138 REMARK 465 SER H 139 REMARK 465 GLY H 140 REMARK 465 LEU H 141 REMARK 465 ASN H 142 REMARK 465 ASP H 143 REMARK 465 ILE H 144 REMARK 465 PHE H 145 REMARK 465 GLU H 146 REMARK 465 ALA H 147 REMARK 465 GLN H 148 REMARK 465 LYS H 149 REMARK 465 ILE H 150 REMARK 465 GLU H 151 REMARK 465 TRP H 152 REMARK 465 HIS H 153 REMARK 465 GLU H 154 REMARK 465 MET I 1 REMARK 465 GLY I 2 REMARK 465 GLU I 3 REMARK 465 SER I 121 REMARK 465 SER I 122 REMARK 465 LEU I 123 REMARK 465 GLU I 124 REMARK 465 HIS I 125 REMARK 465 HIS I 126 REMARK 465 HIS I 127 REMARK 465 HIS I 128 REMARK 465 HIS I 129 REMARK 465 HIS I 130 REMARK 465 HIS I 131 REMARK 465 HIS I 132 REMARK 465 GLY I 133 REMARK 465 SER I 134 REMARK 465 GLY I 135 REMARK 465 LEU I 136 REMARK 465 VAL I 137 REMARK 465 PRO I 138 REMARK 465 ARG I 139 REMARK 465 GLY I 140 REMARK 465 SER I 141 REMARK 465 GLY I 142 REMARK 465 LEU I 143 REMARK 465 ASN I 144 REMARK 465 ASP I 145 REMARK 465 ILE I 146 REMARK 465 PHE I 147 REMARK 465 GLU I 148 REMARK 465 ALA I 149 REMARK 465 GLN I 150 REMARK 465 LYS I 151 REMARK 465 ILE I 152 REMARK 465 GLU I 153 REMARK 465 TRP I 154 REMARK 465 HIS I 155 REMARK 465 GLU I 156 REMARK 465 MET E 1 REMARK 465 GLY E 2 REMARK 465 LEU E 123 REMARK 465 GLU E 124 REMARK 465 HIS E 125 REMARK 465 HIS E 126 REMARK 465 HIS E 127 REMARK 465 HIS E 128 REMARK 465 HIS E 129 REMARK 465 HIS E 130 REMARK 465 HIS E 131 REMARK 465 HIS E 132 REMARK 465 GLY E 133 REMARK 465 SER E 134 REMARK 465 GLY E 135 REMARK 465 LEU E 136 REMARK 465 VAL E 137 REMARK 465 PRO E 138 REMARK 465 ARG E 139 REMARK 465 GLY E 140 REMARK 465 SER E 141 REMARK 465 GLY E 142 REMARK 465 LEU E 143 REMARK 465 ASN E 144 REMARK 465 ASP E 145 REMARK 465 ILE E 146 REMARK 465 PHE E 147 REMARK 465 GLU E 148 REMARK 465 ALA E 149 REMARK 465 GLN E 150 REMARK 465 LYS E 151 REMARK 465 ILE E 152 REMARK 465 GLU E 153 REMARK 465 TRP E 154 REMARK 465 HIS E 155 REMARK 465 GLU E 156 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 OD2 ASP F 257 NH1 ARG I 102 2.13 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 ALA A 17 -57.45 68.79 REMARK 500 ASN A 34 95.57 -166.23 REMARK 500 ASN A 105 -120.31 53.13 REMARK 500 LYS A 133 -86.54 -129.36 REMARK 500 ASN A 151 63.82 -156.33 REMARK 500 ASN A 160 71.97 -154.83 REMARK 500 ASN A 161 32.33 -146.84 REMARK 500 ASN A 249 90.52 -161.34 REMARK 500 SER A 253 -163.79 65.60 REMARK 500 THR A 271 -72.89 -121.72 REMARK 500 ASP A 272 59.61 -106.37 REMARK 500 ARG B 12 108.34 -161.31 REMARK 500 GLN B 93 -5.54 -145.95 REMARK 500 ASP B 101 -102.38 54.22 REMARK 500 MET B 221 72.33 -109.60 REMARK 500 TRP B 244 -39.23 -140.50 REMARK 500 PRO C 43 106.18 -58.63 REMARK 500 LYS D 77 -11.95 67.76 REMARK 500 PHE J 31 56.17 -140.36 REMARK 500 ALA J 32 -108.56 55.63 REMARK 500 VAL J 50 -64.70 -102.01 REMARK 500 ALA F 17 -57.88 68.86 REMARK 500 ASN F 34 94.42 -164.90 REMARK 500 ASN F 105 -120.63 53.32 REMARK 500 LYS F 133 -86.67 -129.02 REMARK 500 ASN F 151 64.21 -156.41 REMARK 500 LYS F 153 -70.48 -87.47 REMARK 500 ASN F 160 71.62 -155.30 REMARK 500 ASN F 161 32.73 -147.27 REMARK 500 TYR F 224 57.21 -140.27 REMARK 500 ASN F 249 90.50 -162.09 REMARK 500 SER F 253 -163.18 65.92 REMARK 500 THR F 271 -73.49 -120.47 REMARK 500 ASP F 272 58.94 -106.36 REMARK 500 ARG G 12 108.16 -161.54 REMARK 500 GLN G 93 -6.10 -144.73 REMARK 500 ASP G 101 -102.67 54.39 REMARK 500 MET G 221 72.76 -109.49 REMARK 500 TRP G 244 -38.49 -140.91 REMARK 500 LYS I 77 -10.61 67.38 REMARK 500 PHE E 31 56.21 -140.39 REMARK 500 ALA E 32 -108.79 54.57 REMARK 500 VAL E 50 -63.73 -101.01 REMARK 500 ARG E 58 93.10 -69.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 K F 402 K REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ALA A 17 O REMARK 620 2 ASP F 276 OD1 115.7 REMARK 620 N 1 DBREF 9HLS A 3 295 UNP P16710 PG143_VACCW 3 295 DBREF 9HLS B 3 271 UNP P07611 PG094_VACCW 3 271 DBREF 9HLS C 1 154 PDB 9HLS 9HLS 1 154 DBREF 9HLS D 1 156 PDB 9HLS 9HLS 1 156 DBREF 9HLS J 1 156 PDB 9HLS 9HLS 1 156 DBREF 9HLS F 3 295 UNP P16710 PG143_VACCW 3 295 DBREF 9HLS G 3 271 UNP P07611 PG094_VACCW 3 271 DBREF 9HLS H 1 154 PDB 9HLS 9HLS 1 154 DBREF 9HLS I 1 156 PDB 9HLS 9HLS 1 156 DBREF 9HLS E 1 156 PDB 9HLS 9HLS 1 156 SEQADV 9HLS MET A -18 UNP P16710 INITIATING METHIONINE SEQADV 9HLS LYS A -17 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A -16 UNP P16710 EXPRESSION TAG SEQADV 9HLS CYS A -15 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE A -14 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A -13 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A -12 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA A -11 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL A -10 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL A -9 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA A -8 UNP P16710 EXPRESSION TAG SEQADV 9HLS PHE A -7 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL A -6 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A -5 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A -4 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A -3 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A -2 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A -1 UNP P16710 EXPRESSION TAG SEQADV 9HLS ARG A 0 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 1 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA A 2 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 296 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 297 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 298 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A 299 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL A 300 UNP P16710 EXPRESSION TAG SEQADV 9HLS PRO A 301 UNP P16710 EXPRESSION TAG SEQADV 9HLS ARG A 302 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 303 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 304 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 305 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 306 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 307 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 308 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 309 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 310 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 311 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 312 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 313 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 314 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 315 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 316 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 317 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 318 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 319 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 320 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER A 321 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 322 UNP P16710 EXPRESSION TAG SEQADV 9HLS THR A 323 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 324 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY A 325 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU A 326 UNP P16710 EXPRESSION TAG SEQADV 9HLS ASN A 327 UNP P16710 EXPRESSION TAG SEQADV 9HLS ASP A 328 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE A 329 UNP P16710 EXPRESSION TAG SEQADV 9HLS PHE A 330 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU A 331 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA A 332 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLN A 333 UNP P16710 EXPRESSION TAG SEQADV 9HLS LYS A 334 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE A 335 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU A 336 UNP P16710 EXPRESSION TAG SEQADV 9HLS TRP A 337 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS A 338 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU A 339 UNP P16710 EXPRESSION TAG SEQADV 9HLS MET B -16 UNP P07611 INITIATING METHIONINE SEQADV 9HLS LYS B -15 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B -14 UNP P07611 EXPRESSION TAG SEQADV 9HLS CYS B -13 UNP P07611 EXPRESSION TAG SEQADV 9HLS ILE B -12 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B -11 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B -10 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA B -9 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL B -8 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL B -7 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA B -6 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE B -5 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL B -4 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B -3 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B -2 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B -1 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B 0 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 1 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA B 2 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA B 82 UNP P07611 ASN 82 CONFLICT SEQADV 9HLS GLN B 93 UNP P07611 ASN 93 CONFLICT SEQADV 9HLS ALA B 156 UNP P07611 SER 156 CONFLICT SEQADV 9HLS ASP B 157 UNP P07611 ASN 157 CONFLICT SEQADV 9HLS GLY B 272 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 273 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 274 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B 275 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL B 276 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO B 277 UNP P07611 EXPRESSION TAG SEQADV 9HLS ARG B 278 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 279 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 280 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU B 281 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU B 282 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP B 283 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP B 284 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP B 285 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP B 286 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS B 287 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA B 288 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 289 UNP P07611 EXPRESSION TAG SEQADV 9HLS TRP B 290 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 291 UNP P07611 EXPRESSION TAG SEQADV 9HLS HIS B 292 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO B 293 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLN B 294 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE B 295 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU B 296 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS B 297 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 298 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 299 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 300 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 301 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 302 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 303 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 304 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 305 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 306 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 307 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY B 308 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 309 UNP P07611 EXPRESSION TAG SEQADV 9HLS TRP B 310 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER B 311 UNP P07611 EXPRESSION TAG SEQADV 9HLS HIS B 312 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO B 313 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLN B 314 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE B 315 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU B 316 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS B 317 UNP P07611 EXPRESSION TAG SEQADV 9HLS MET F -18 UNP P16710 INITIATING METHIONINE SEQADV 9HLS LYS F -17 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F -16 UNP P16710 EXPRESSION TAG SEQADV 9HLS CYS F -15 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE F -14 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F -13 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F -12 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA F -11 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL F -10 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL F -9 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA F -8 UNP P16710 EXPRESSION TAG SEQADV 9HLS PHE F -7 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL F -6 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F -5 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F -4 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F -3 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F -2 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F -1 UNP P16710 EXPRESSION TAG SEQADV 9HLS ARG F 0 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 1 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA F 2 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 296 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 297 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 298 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F 299 UNP P16710 EXPRESSION TAG SEQADV 9HLS VAL F 300 UNP P16710 EXPRESSION TAG SEQADV 9HLS PRO F 301 UNP P16710 EXPRESSION TAG SEQADV 9HLS ARG F 302 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 303 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 304 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 305 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 306 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 307 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 308 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 309 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 310 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 311 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 312 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 313 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 314 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 315 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 316 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 317 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 318 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 319 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 320 UNP P16710 EXPRESSION TAG SEQADV 9HLS SER F 321 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 322 UNP P16710 EXPRESSION TAG SEQADV 9HLS THR F 323 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 324 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLY F 325 UNP P16710 EXPRESSION TAG SEQADV 9HLS LEU F 326 UNP P16710 EXPRESSION TAG SEQADV 9HLS ASN F 327 UNP P16710 EXPRESSION TAG SEQADV 9HLS ASP F 328 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE F 329 UNP P16710 EXPRESSION TAG SEQADV 9HLS PHE F 330 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU F 331 UNP P16710 EXPRESSION TAG SEQADV 9HLS ALA F 332 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLN F 333 UNP P16710 EXPRESSION TAG SEQADV 9HLS LYS F 334 UNP P16710 EXPRESSION TAG SEQADV 9HLS ILE F 335 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU F 336 UNP P16710 EXPRESSION TAG SEQADV 9HLS TRP F 337 UNP P16710 EXPRESSION TAG SEQADV 9HLS HIS F 338 UNP P16710 EXPRESSION TAG SEQADV 9HLS GLU F 339 UNP P16710 EXPRESSION TAG SEQADV 9HLS MET G -16 UNP P07611 INITIATING METHIONINE SEQADV 9HLS LYS G -15 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G -14 UNP P07611 EXPRESSION TAG SEQADV 9HLS CYS G -13 UNP P07611 EXPRESSION TAG SEQADV 9HLS ILE G -12 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G -11 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G -10 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA G -9 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL G -8 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL G -7 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA G -6 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE G -5 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL G -4 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G -3 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G -2 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G -1 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G 0 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 1 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA G 2 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA G 82 UNP P07611 ASN 82 CONFLICT SEQADV 9HLS GLN G 93 UNP P07611 ASN 93 CONFLICT SEQADV 9HLS ALA G 156 UNP P07611 SER 156 CONFLICT SEQADV 9HLS ASP G 157 UNP P07611 ASN 157 CONFLICT SEQADV 9HLS GLY G 272 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 273 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 274 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G 275 UNP P07611 EXPRESSION TAG SEQADV 9HLS VAL G 276 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO G 277 UNP P07611 EXPRESSION TAG SEQADV 9HLS ARG G 278 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 279 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 280 UNP P07611 EXPRESSION TAG SEQADV 9HLS LEU G 281 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU G 282 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP G 283 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP G 284 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP G 285 UNP P07611 EXPRESSION TAG SEQADV 9HLS ASP G 286 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS G 287 UNP P07611 EXPRESSION TAG SEQADV 9HLS ALA G 288 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 289 UNP P07611 EXPRESSION TAG SEQADV 9HLS TRP G 290 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 291 UNP P07611 EXPRESSION TAG SEQADV 9HLS HIS G 292 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO G 293 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLN G 294 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE G 295 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU G 296 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS G 297 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 298 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 299 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 300 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 301 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 302 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 303 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 304 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 305 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 306 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 307 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLY G 308 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 309 UNP P07611 EXPRESSION TAG SEQADV 9HLS TRP G 310 UNP P07611 EXPRESSION TAG SEQADV 9HLS SER G 311 UNP P07611 EXPRESSION TAG SEQADV 9HLS HIS G 312 UNP P07611 EXPRESSION TAG SEQADV 9HLS PRO G 313 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLN G 314 UNP P07611 EXPRESSION TAG SEQADV 9HLS PHE G 315 UNP P07611 EXPRESSION TAG SEQADV 9HLS GLU G 316 UNP P07611 EXPRESSION TAG SEQADV 9HLS LYS G 317 UNP P07611 EXPRESSION TAG SEQRES 1 A 358 MET LYS LEU CYS ILE LEU LEU ALA VAL VAL ALA PHE VAL SEQRES 2 A 358 GLY LEU SER LEU GLY ARG SER ALA ALA ALA VAL THR LEU SEQRES 3 A 358 ASN ARG ILE LYS ILE ALA PRO GLY ILE ALA ASP ILE ARG SEQRES 4 A 358 ASP LYS TYR MET GLU LEU GLY PHE ASN TYR PRO GLU TYR SEQRES 5 A 358 ASN ARG ALA VAL LYS PHE ALA GLU GLU SER TYR THR TYR SEQRES 6 A 358 TYR TYR GLU THR SER PRO GLY GLU ILE LYS PRO LYS PHE SEQRES 7 A 358 CYS LEU ILE ASP GLY MET SER ILE ASP HIS CYS SER SER SEQRES 8 A 358 PHE ILE VAL PRO GLU PHE ALA LYS GLN TYR VAL LEU ILE SEQRES 9 A 358 HIS GLY GLU PRO CYS SER SER PHE LYS PHE ARG PRO GLY SEQRES 10 A 358 SER LEU ILE TYR TYR GLN ASN GLU VAL THR PRO GLU TYR SEQRES 11 A 358 ILE LYS ASP LEU LYS HIS ALA THR ASP TYR ILE ALA SER SEQRES 12 A 358 GLY GLN ARG CYS HIS PHE ILE LYS LYS ASP TYR LEU LEU SEQRES 13 A 358 GLY ASP SER ASP SER VAL ALA LYS CYS CYS SER LYS THR SEQRES 14 A 358 ASN THR LYS HIS CYS PRO LYS ILE PHE ASN ASN ASN TYR SEQRES 15 A 358 LYS THR GLU HIS CYS ASP ASP PHE MET THR GLY PHE CYS SEQRES 16 A 358 ARG ASN ASP PRO GLY ASN PRO ASN CYS LEU GLU TRP LEU SEQRES 17 A 358 ARG ALA LYS ARG LYS PRO ALA MET SER THR TYR SER ASP SEQRES 18 A 358 ILE CYS SER LYS HIS MET ASP ALA ARG TYR CYS SER GLU SEQRES 19 A 358 PHE ILE ARG ILE ILE ARG PRO ASP TYR PHE THR PHE GLY SEQRES 20 A 358 ASP THR ALA LEU TYR VAL PHE CYS ASN ASP HIS LYS GLY SEQRES 21 A 358 ASN ARG ASN CYS TRP CYS ALA ASN TYR PRO LYS SER ASN SEQRES 22 A 358 SER GLY ASP LYS TYR LEU GLY PRO ARG VAL CYS TRP LEU SEQRES 23 A 358 HIS GLU CYS THR ASP GLU SER ARG ASP ARG LYS TRP LEU SEQRES 24 A 358 TYR TYR ASN GLN ASP VAL GLN ARG THR ARG CYS LYS TYR SEQRES 25 A 358 VAL GLY GLY SER GLY LEU VAL PRO ARG GLY SER GLY GLY SEQRES 26 A 358 SER GLY GLY SER HIS HIS HIS HIS HIS HIS HIS HIS GLY SEQRES 27 A 358 GLY SER GLY THR GLY GLY LEU ASN ASP ILE PHE GLU ALA SEQRES 28 A 358 GLN LYS ILE GLU TRP HIS GLU SEQRES 1 B 334 MET LYS LEU CYS ILE LEU LEU ALA VAL VAL ALA PHE VAL SEQRES 2 B 334 GLY LEU SER LEU GLY ALA GLY GLY VAL SER VAL GLU LEU SEQRES 3 B 334 PRO LYS ARG ASP PRO PRO PRO GLY VAL PRO THR ASP GLU SEQRES 4 B 334 MET LEU LEU ASN VAL ASP LYS MET HIS ASP VAL ILE ALA SEQRES 5 B 334 PRO ALA LYS LEU LEU GLU TYR VAL HIS ILE GLY PRO LEU SEQRES 6 B 334 ALA LYS ASP LYS GLU ASP LYS VAL LYS LYS ARG TYR PRO SEQRES 7 B 334 GLU PHE ARG LEU VAL ASN THR GLY PRO GLY GLY LEU SER SEQRES 8 B 334 ALA LEU LEU ARG GLN SER TYR ALA GLY THR ALA PRO ASN SEQRES 9 B 334 CYS CYS ARG THR PHE GLN ARG THR HIS TYR TRP LYS LYS SEQRES 10 B 334 ASP GLY LYS ILE SER ASP LYS TYR GLU GLU GLY ALA VAL SEQRES 11 B 334 LEU GLU SER CYS TRP PRO ASP VAL HIS ASP THR GLY LYS SEQRES 12 B 334 CYS ASP VAL ASP LEU PHE ASP TRP CYS GLN GLY ASP THR SEQRES 13 B 334 PHE ASP ARG ASN ILE CYS HIS GLN TRP ILE GLY SER ALA SEQRES 14 B 334 PHE ASN ARG ALA ASP ARG THR VAL GLU GLY GLN GLN SER SEQRES 15 B 334 LEU ILE ASN LEU TYR ASN LYS MET GLN THR LEU CYS SER SEQRES 16 B 334 LYS ASP ALA SER VAL PRO ILE CYS GLU SER PHE LEU HIS SEQRES 17 B 334 HIS LEU ARG ALA HIS ASN THR GLU ASP SER LYS GLU MET SEQRES 18 B 334 ILE ASP TYR ILE LEU ARG GLN GLN SER ALA ASP PHE LYS SEQRES 19 B 334 GLN LYS TYR MET ARG CYS SER TYR PRO THR ARG ASP LYS SEQRES 20 B 334 LEU GLU GLU SER LEU LYS TYR ALA GLU PRO ARG GLU CYS SEQRES 21 B 334 TRP ASP PRO GLU CYS SER ASN ALA ASN VAL ASN PHE LEU SEQRES 22 B 334 LEU THR ARG ASN TYR ASN ASN LEU GLY LEU CYS ASN ILE SEQRES 23 B 334 VAL ARG GLY SER GLY LEU VAL PRO ARG GLY SER LEU GLU SEQRES 24 B 334 ASP ASP ASP ASP LYS ALA GLY TRP SER HIS PRO GLN PHE SEQRES 25 B 334 GLU LYS GLY GLY GLY SER GLY GLY GLY SER GLY GLY GLY SEQRES 26 B 334 SER TRP SER HIS PRO GLN PHE GLU LYS SEQRES 1 C 154 MET GLY GLU VAL GLN LEU GLN ALA SER GLY GLY GLY LEU SEQRES 2 C 154 VAL GLN PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SEQRES 3 C 154 SER GLY ILE VAL PHE SER ASN ASN ARG MET SER TRP TYR SEQRES 4 C 154 ARG GLN ALA PRO GLY LYS GLN ARG GLU VAL VAL ALA THR SEQRES 5 C 154 ILE THR SER GLY GLY ALA THR ASP TYR GLN ASP SER VAL SEQRES 6 C 154 GLU GLY ARG PHE THR ILE SER ARG ASP MET ALA LYS ASN SEQRES 7 C 154 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 C 154 THR ALA VAL TYR PHE CYS ASN ALA ARG ARG ASP ASN PHE SEQRES 9 C 154 ALA THR ALA ILE TYR TRP GLY GLN GLY THR GLN VAL THR SEQRES 10 C 154 VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS SEQRES 11 C 154 GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU ASN ASP SEQRES 12 C 154 ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU SEQRES 1 D 156 MET GLY GLU VAL GLN LEU ALA GLU SER GLY GLY GLY LEU SEQRES 2 D 156 VAL GLU PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SEQRES 3 D 156 SER GLY ARG ILE PHE SER ILE ASN TYR MET GLY TRP GLY SEQRES 4 D 156 ARG GLN ALA PRO GLY LYS GLN ARG GLU LEU VAL ALA THR SEQRES 5 D 156 ILE THR SER GLY GLY SER THR ASN TYR VAL ASP SER VAL SEQRES 6 D 156 LYS GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN SEQRES 7 D 156 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 D 156 THR ALA VAL TYR TYR CYS ASN ALA ASN ILE ARG SER THR SEQRES 9 D 156 PRO TRP SER SER GLU ASP SER TRP GLY GLN GLY THR GLN SEQRES 10 D 156 VAL THR VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 11 D 156 HIS HIS GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU SEQRES 12 D 156 ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU SEQRES 1 J 156 MET GLY ASP VAL GLN LEU VAL GLU SER GLY GLY GLY LEU SEQRES 2 J 156 VAL GLN ALA GLY GLY SER LEU GLY LEU SER CYS ALA ALA SEQRES 3 J 156 SER GLY THR ILE PHE ALA VAL ASN THR MET GLY TRP TYR SEQRES 4 J 156 ARG GLN ALA PRO GLY LYS GLN ARG GLU MET VAL ALA THR SEQRES 5 J 156 SER SER TYR TYR GLY ARG THR ASN TYR ALA ASP SER ALA SEQRES 6 J 156 LYS GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN SEQRES 7 J 156 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 J 156 THR ALA VAL TYR TYR CYS ASN TYR GLU ARG VAL ALA PHE SEQRES 9 J 156 GLY SER ALA ARG GLU THR TYR TRP GLY GLN GLY THR GLN SEQRES 10 J 156 VAL THR VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 11 J 156 HIS HIS GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU SEQRES 12 J 156 ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU SEQRES 1 F 358 MET LYS LEU CYS ILE LEU LEU ALA VAL VAL ALA PHE VAL SEQRES 2 F 358 GLY LEU SER LEU GLY ARG SER ALA ALA ALA VAL THR LEU SEQRES 3 F 358 ASN ARG ILE LYS ILE ALA PRO GLY ILE ALA ASP ILE ARG SEQRES 4 F 358 ASP LYS TYR MET GLU LEU GLY PHE ASN TYR PRO GLU TYR SEQRES 5 F 358 ASN ARG ALA VAL LYS PHE ALA GLU GLU SER TYR THR TYR SEQRES 6 F 358 TYR TYR GLU THR SER PRO GLY GLU ILE LYS PRO LYS PHE SEQRES 7 F 358 CYS LEU ILE ASP GLY MET SER ILE ASP HIS CYS SER SER SEQRES 8 F 358 PHE ILE VAL PRO GLU PHE ALA LYS GLN TYR VAL LEU ILE SEQRES 9 F 358 HIS GLY GLU PRO CYS SER SER PHE LYS PHE ARG PRO GLY SEQRES 10 F 358 SER LEU ILE TYR TYR GLN ASN GLU VAL THR PRO GLU TYR SEQRES 11 F 358 ILE LYS ASP LEU LYS HIS ALA THR ASP TYR ILE ALA SER SEQRES 12 F 358 GLY GLN ARG CYS HIS PHE ILE LYS LYS ASP TYR LEU LEU SEQRES 13 F 358 GLY ASP SER ASP SER VAL ALA LYS CYS CYS SER LYS THR SEQRES 14 F 358 ASN THR LYS HIS CYS PRO LYS ILE PHE ASN ASN ASN TYR SEQRES 15 F 358 LYS THR GLU HIS CYS ASP ASP PHE MET THR GLY PHE CYS SEQRES 16 F 358 ARG ASN ASP PRO GLY ASN PRO ASN CYS LEU GLU TRP LEU SEQRES 17 F 358 ARG ALA LYS ARG LYS PRO ALA MET SER THR TYR SER ASP SEQRES 18 F 358 ILE CYS SER LYS HIS MET ASP ALA ARG TYR CYS SER GLU SEQRES 19 F 358 PHE ILE ARG ILE ILE ARG PRO ASP TYR PHE THR PHE GLY SEQRES 20 F 358 ASP THR ALA LEU TYR VAL PHE CYS ASN ASP HIS LYS GLY SEQRES 21 F 358 ASN ARG ASN CYS TRP CYS ALA ASN TYR PRO LYS SER ASN SEQRES 22 F 358 SER GLY ASP LYS TYR LEU GLY PRO ARG VAL CYS TRP LEU SEQRES 23 F 358 HIS GLU CYS THR ASP GLU SER ARG ASP ARG LYS TRP LEU SEQRES 24 F 358 TYR TYR ASN GLN ASP VAL GLN ARG THR ARG CYS LYS TYR SEQRES 25 F 358 VAL GLY GLY SER GLY LEU VAL PRO ARG GLY SER GLY GLY SEQRES 26 F 358 SER GLY GLY SER HIS HIS HIS HIS HIS HIS HIS HIS GLY SEQRES 27 F 358 GLY SER GLY THR GLY GLY LEU ASN ASP ILE PHE GLU ALA SEQRES 28 F 358 GLN LYS ILE GLU TRP HIS GLU SEQRES 1 G 334 MET LYS LEU CYS ILE LEU LEU ALA VAL VAL ALA PHE VAL SEQRES 2 G 334 GLY LEU SER LEU GLY ALA GLY GLY VAL SER VAL GLU LEU SEQRES 3 G 334 PRO LYS ARG ASP PRO PRO PRO GLY VAL PRO THR ASP GLU SEQRES 4 G 334 MET LEU LEU ASN VAL ASP LYS MET HIS ASP VAL ILE ALA SEQRES 5 G 334 PRO ALA LYS LEU LEU GLU TYR VAL HIS ILE GLY PRO LEU SEQRES 6 G 334 ALA LYS ASP LYS GLU ASP LYS VAL LYS LYS ARG TYR PRO SEQRES 7 G 334 GLU PHE ARG LEU VAL ASN THR GLY PRO GLY GLY LEU SER SEQRES 8 G 334 ALA LEU LEU ARG GLN SER TYR ALA GLY THR ALA PRO ASN SEQRES 9 G 334 CYS CYS ARG THR PHE GLN ARG THR HIS TYR TRP LYS LYS SEQRES 10 G 334 ASP GLY LYS ILE SER ASP LYS TYR GLU GLU GLY ALA VAL SEQRES 11 G 334 LEU GLU SER CYS TRP PRO ASP VAL HIS ASP THR GLY LYS SEQRES 12 G 334 CYS ASP VAL ASP LEU PHE ASP TRP CYS GLN GLY ASP THR SEQRES 13 G 334 PHE ASP ARG ASN ILE CYS HIS GLN TRP ILE GLY SER ALA SEQRES 14 G 334 PHE ASN ARG ALA ASP ARG THR VAL GLU GLY GLN GLN SER SEQRES 15 G 334 LEU ILE ASN LEU TYR ASN LYS MET GLN THR LEU CYS SER SEQRES 16 G 334 LYS ASP ALA SER VAL PRO ILE CYS GLU SER PHE LEU HIS SEQRES 17 G 334 HIS LEU ARG ALA HIS ASN THR GLU ASP SER LYS GLU MET SEQRES 18 G 334 ILE ASP TYR ILE LEU ARG GLN GLN SER ALA ASP PHE LYS SEQRES 19 G 334 GLN LYS TYR MET ARG CYS SER TYR PRO THR ARG ASP LYS SEQRES 20 G 334 LEU GLU GLU SER LEU LYS TYR ALA GLU PRO ARG GLU CYS SEQRES 21 G 334 TRP ASP PRO GLU CYS SER ASN ALA ASN VAL ASN PHE LEU SEQRES 22 G 334 LEU THR ARG ASN TYR ASN ASN LEU GLY LEU CYS ASN ILE SEQRES 23 G 334 VAL ARG GLY SER GLY LEU VAL PRO ARG GLY SER LEU GLU SEQRES 24 G 334 ASP ASP ASP ASP LYS ALA GLY TRP SER HIS PRO GLN PHE SEQRES 25 G 334 GLU LYS GLY GLY GLY SER GLY GLY GLY SER GLY GLY GLY SEQRES 26 G 334 SER TRP SER HIS PRO GLN PHE GLU LYS SEQRES 1 H 154 MET GLY GLU VAL GLN LEU GLN ALA SER GLY GLY GLY LEU SEQRES 2 H 154 VAL GLN PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SEQRES 3 H 154 SER GLY ILE VAL PHE SER ASN ASN ARG MET SER TRP TYR SEQRES 4 H 154 ARG GLN ALA PRO GLY LYS GLN ARG GLU VAL VAL ALA THR SEQRES 5 H 154 ILE THR SER GLY GLY ALA THR ASP TYR GLN ASP SER VAL SEQRES 6 H 154 GLU GLY ARG PHE THR ILE SER ARG ASP MET ALA LYS ASN SEQRES 7 H 154 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 H 154 THR ALA VAL TYR PHE CYS ASN ALA ARG ARG ASP ASN PHE SEQRES 9 H 154 ALA THR ALA ILE TYR TRP GLY GLN GLY THR GLN VAL THR SEQRES 10 H 154 VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS SEQRES 11 H 154 GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU ASN ASP SEQRES 12 H 154 ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU SEQRES 1 I 156 MET GLY GLU VAL GLN LEU ALA GLU SER GLY GLY GLY LEU SEQRES 2 I 156 VAL GLU PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SEQRES 3 I 156 SER GLY ARG ILE PHE SER ILE ASN TYR MET GLY TRP GLY SEQRES 4 I 156 ARG GLN ALA PRO GLY LYS GLN ARG GLU LEU VAL ALA THR SEQRES 5 I 156 ILE THR SER GLY GLY SER THR ASN TYR VAL ASP SER VAL SEQRES 6 I 156 LYS GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN SEQRES 7 I 156 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 I 156 THR ALA VAL TYR TYR CYS ASN ALA ASN ILE ARG SER THR SEQRES 9 I 156 PRO TRP SER SER GLU ASP SER TRP GLY GLN GLY THR GLN SEQRES 10 I 156 VAL THR VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 11 I 156 HIS HIS GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU SEQRES 12 I 156 ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU SEQRES 1 E 156 MET GLY ASP VAL GLN LEU VAL GLU SER GLY GLY GLY LEU SEQRES 2 E 156 VAL GLN ALA GLY GLY SER LEU GLY LEU SER CYS ALA ALA SEQRES 3 E 156 SER GLY THR ILE PHE ALA VAL ASN THR MET GLY TRP TYR SEQRES 4 E 156 ARG GLN ALA PRO GLY LYS GLN ARG GLU MET VAL ALA THR SEQRES 5 E 156 SER SER TYR TYR GLY ARG THR ASN TYR ALA ASP SER ALA SEQRES 6 E 156 LYS GLY ARG PHE THR ILE SER ARG ASP ASN ALA LYS ASN SEQRES 7 E 156 THR VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP SEQRES 8 E 156 THR ALA VAL TYR TYR CYS ASN TYR GLU ARG VAL ALA PHE SEQRES 9 E 156 GLY SER ALA ARG GLU THR TYR TRP GLY GLN GLY THR GLN SEQRES 10 E 156 VAL THR VAL SER SER LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 11 E 156 HIS HIS GLY SER GLY LEU VAL PRO ARG GLY SER GLY LEU SEQRES 12 E 156 ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP HIS GLU HET K B 401 1 HET PO4 B 402 5 HET PO4 J 201 5 HET K F 401 1 HET K F 402 1 HET PO4 F 403 5 HET K G 401 1 HETNAM K POTASSIUM ION HETNAM PO4 PHOSPHATE ION FORMUL 11 K 4(K 1+) FORMUL 12 PO4 3(O4 P 3-) FORMUL 18 HOH *6(H2 O) HELIX 1 AA1 HIS A 69 ILE A 74 5 6 HELIX 2 AA2 GLU A 77 LYS A 80 5 4 HELIX 3 AA3 THR A 108 THR A 119 1 12 HELIX 4 AA4 ASP A 139 SER A 148 1 10 HELIX 5 AA5 PRO A 156 ASN A 160 5 5 HELIX 6 AA6 CYS A 168 ARG A 177 1 10 HELIX 7 AA7 ASN A 182 ALA A 191 1 10 HELIX 8 AA8 ARG A 193 HIS A 207 1 15 HELIX 9 AA9 ARG A 211 ARG A 221 1 11 HELIX 10 AB1 TYR A 224 HIS A 239 1 16 HELIX 11 AB2 ASN A 242 CYS A 247 5 6 HELIX 12 AB3 LEU A 260 TRP A 266 5 7 HELIX 13 AB4 LEU A 267 THR A 271 5 5 HELIX 14 AB5 ASP A 276 LEU A 280 5 5 HELIX 15 AB6 TYR A 281 CYS A 291 1 11 HELIX 16 AB7 ASP B 21 LEU B 25 5 5 HELIX 17 AB8 ASN B 26 LYS B 29 5 4 HELIX 18 AB9 MET B 30 ALA B 35 1 6 HELIX 19 AC1 ALA B 49 ASP B 51 5 3 HELIX 20 AC2 LYS B 52 TYR B 60 1 9 HELIX 21 AC3 THR B 84 ARG B 90 1 7 HELIX 22 AC4 CYS B 127 CYS B 135 1 9 HELIX 23 AC5 ASN B 143 ASN B 154 1 12 HELIX 24 AC6 THR B 159 ASP B 180 1 22 HELIX 25 AC7 VAL B 183 ASN B 197 1 15 HELIX 26 AC8 THR B 198 GLN B 211 1 14 HELIX 27 AC9 SER B 213 GLN B 218 1 6 HELIX 28 AD1 THR B 227 LEU B 235 1 9 HELIX 29 AD2 PRO B 240 TRP B 244 5 5 HELIX 30 AD3 ASP B 245 ALA B 251 1 7 HELIX 31 AD4 ASN B 252 LEU B 256 5 5 HELIX 32 AD5 LEU B 257 LEU B 264 1 8 HELIX 33 AD6 GLY B 265 CYS B 267 5 3 HELIX 34 AD7 VAL C 30 SER C 32 5 3 HELIX 35 AD8 LYS C 88 THR C 92 5 5 HELIX 36 AD9 ASN D 75 LYS D 77 5 3 HELIX 37 AE1 LYS D 88 THR D 92 5 5 HELIX 38 AE2 LYS J 88 THR J 92 5 5 HELIX 39 AE3 HIS F 69 ILE F 74 5 6 HELIX 40 AE4 GLU F 77 LYS F 80 5 4 HELIX 41 AE5 THR F 108 THR F 119 1 12 HELIX 42 AE6 ASP F 139 SER F 148 1 10 HELIX 43 AE7 PRO F 156 ASN F 160 5 5 HELIX 44 AE8 CYS F 168 ARG F 177 1 10 HELIX 45 AE9 ASN F 182 ALA F 191 1 10 HELIX 46 AF1 ARG F 193 MET F 208 1 16 HELIX 47 AF2 ARG F 211 ARG F 221 1 11 HELIX 48 AF3 TYR F 224 HIS F 239 1 16 HELIX 49 AF4 ASN F 242 CYS F 247 5 6 HELIX 50 AF5 LEU F 260 TRP F 266 5 7 HELIX 51 AF6 LEU F 267 THR F 271 5 5 HELIX 52 AF7 ASP F 276 LEU F 280 5 5 HELIX 53 AF8 TYR F 281 CYS F 291 1 11 HELIX 54 AF9 ASP G 21 LEU G 25 5 5 HELIX 55 AG1 ASN G 26 LYS G 29 5 4 HELIX 56 AG2 MET G 30 ALA G 35 1 6 HELIX 57 AG3 ALA G 49 ASP G 51 5 3 HELIX 58 AG4 LYS G 52 TYR G 60 1 9 HELIX 59 AG5 THR G 84 ARG G 90 1 7 HELIX 60 AG6 ASP G 120 THR G 124 5 5 HELIX 61 AG7 CYS G 127 CYS G 135 1 9 HELIX 62 AG8 ASN G 143 ASN G 154 1 12 HELIX 63 AG9 THR G 159 ASP G 180 1 22 HELIX 64 AH1 VAL G 183 ASN G 197 1 15 HELIX 65 AH2 THR G 198 GLN G 211 1 14 HELIX 66 AH3 SER G 213 GLN G 218 1 6 HELIX 67 AH4 THR G 227 LEU G 235 1 9 HELIX 68 AH5 PRO G 240 TRP G 244 5 5 HELIX 69 AH6 ASP G 245 ALA G 251 1 7 HELIX 70 AH7 ASN G 252 LEU G 256 5 5 HELIX 71 AH8 LEU G 257 LEU G 264 1 8 HELIX 72 AH9 GLY G 265 CYS G 267 5 3 HELIX 73 AI1 VAL H 30 SER H 32 5 3 HELIX 74 AI2 LYS H 88 THR H 92 5 5 HELIX 75 AI3 ASN I 75 LYS I 77 5 3 HELIX 76 AI4 LYS I 88 THR I 92 5 5 HELIX 77 AI5 LYS E 88 THR E 92 5 5 SHEET 1 AA1 4 LEU A 7 ALA A 13 0 SHEET 2 AA1 4 ASP A 21 PHE A 28 -1 O TYR A 23 N ALA A 13 SHEET 3 AA1 4 ASN A 34 ALA A 40 -1 O PHE A 39 N LYS A 22 SHEET 4 AA1 4 LEU A 100 ILE A 101 -1 O LEU A 100 N ALA A 40 SHEET 1 AA2 3 GLU A 54 ILE A 55 0 SHEET 2 AA2 3 HIS A 129 LYS A 132 -1 O PHE A 130 N ILE A 55 SHEET 3 AA2 3 TYR A 82 ILE A 85 -1 N ILE A 85 O HIS A 129 SHEET 1 AA3 3 CYS A 60 ILE A 62 0 SHEET 2 AA3 3 ILE A 122 ARG A 127 -1 O GLN A 126 N LEU A 61 SHEET 3 AA3 3 PRO A 89 PHE A 93 -1 N SER A 92 O ALA A 123 SHEET 1 AA4 3 TYR B 42 PRO B 47 0 SHEET 2 AA4 3 LEU B 73 ARG B 78 -1 O SER B 74 N GLY B 46 SHEET 3 AA4 3 PHE B 63 ASN B 67 -1 N ARG B 64 O LEU B 77 SHEET 1 AA5 3 LYS B 103 SER B 105 0 SHEET 2 AA5 3 HIS B 96 LYS B 100 -1 N TRP B 98 O SER B 105 SHEET 3 AA5 3 VAL B 113 SER B 116 -1 O GLU B 115 N TYR B 97 SHEET 1 AA6 4 GLN C 5 LEU C 6 0 SHEET 2 AA6 4 LEU C 20 SER C 27 -1 O SER C 27 N GLN C 5 SHEET 3 AA6 4 THR C 79 MET C 84 -1 O VAL C 80 N CYS C 24 SHEET 4 AA6 4 PHE C 69 ASP C 74 -1 N THR C 70 O GLN C 83 SHEET 1 AA7 2 LEU C 13 VAL C 14 0 SHEET 2 AA7 2 THR C 117 VAL C 118 1 O THR C 117 N VAL C 14 SHEET 1 AA8 5 THR C 59 TYR C 61 0 SHEET 2 AA8 5 GLU C 48 ILE C 53 -1 N THR C 52 O ASP C 60 SHEET 3 AA8 5 ASN C 34 GLN C 41 -1 N TRP C 38 O VAL C 50 SHEET 4 AA8 5 VAL C 94 ARG C 101 -1 O PHE C 96 N TYR C 39 SHEET 5 AA8 5 ILE C 108 GLN C 115 -1 O TYR C 109 N ALA C 99 SHEET 1 AA9 4 GLN D 5 SER D 9 0 SHEET 2 AA9 4 SER D 19 SER D 27 -1 O SER D 27 N GLN D 5 SHEET 3 AA9 4 THR D 79 ASN D 85 -1 O MET D 84 N LEU D 20 SHEET 4 AA9 4 PHE D 69 ASP D 74 -1 N THR D 70 O GLN D 83 SHEET 1 AB1 5 THR D 59 TYR D 61 0 SHEET 2 AB1 5 GLU D 48 THR D 54 -1 N THR D 52 O ASN D 60 SHEET 3 AB1 5 SER D 32 GLN D 41 -1 N MET D 36 O ILE D 53 SHEET 4 AB1 5 ALA D 93 THR D 104 -1 O TYR D 96 N GLY D 39 SHEET 5 AB1 5 SER D 107 TRP D 112 -1 O SER D 111 N ALA D 99 SHEET 1 AB2 5 THR D 59 TYR D 61 0 SHEET 2 AB2 5 GLU D 48 THR D 54 -1 N THR D 52 O ASN D 60 SHEET 3 AB2 5 SER D 32 GLN D 41 -1 N MET D 36 O ILE D 53 SHEET 4 AB2 5 ALA D 93 THR D 104 -1 O TYR D 96 N GLY D 39 SHEET 5 AB2 5 THR D 116 VAL D 118 -1 O THR D 116 N TYR D 95 SHEET 1 AB3 4 VAL J 4 SER J 9 0 SHEET 2 AB3 4 SER J 19 GLY J 28 -1 O SER J 27 N GLN J 5 SHEET 3 AB3 4 THR J 79 ASN J 85 -1 O MET J 84 N LEU J 20 SHEET 4 AB3 4 PHE J 69 ASP J 74 -1 N ASP J 74 O THR J 79 SHEET 1 AB4 6 LEU J 13 VAL J 14 0 SHEET 2 AB4 6 THR J 116 VAL J 120 1 O THR J 119 N VAL J 14 SHEET 3 AB4 6 ALA J 93 ALA J 103 -1 N TYR J 95 O THR J 116 SHEET 4 AB4 6 THR J 35 GLN J 41 -1 N THR J 35 O GLU J 100 SHEET 5 AB4 6 GLU J 48 SER J 54 -1 O ALA J 51 N TRP J 38 SHEET 6 AB4 6 ASN J 60 TYR J 61 -1 O ASN J 60 N THR J 52 SHEET 1 AB5 4 LEU J 13 VAL J 14 0 SHEET 2 AB5 4 THR J 116 VAL J 120 1 O THR J 119 N VAL J 14 SHEET 3 AB5 4 ALA J 93 ALA J 103 -1 N TYR J 95 O THR J 116 SHEET 4 AB5 4 ALA J 107 TRP J 112 -1 O ALA J 107 N ALA J 103 SHEET 1 AB6 4 LEU F 7 ALA F 13 0 SHEET 2 AB6 4 ASP F 21 PHE F 28 -1 O TYR F 23 N ALA F 13 SHEET 3 AB6 4 ALA F 36 ALA F 40 -1 O PHE F 39 N LYS F 22 SHEET 4 AB6 4 LEU F 100 ILE F 101 -1 O LEU F 100 N ALA F 40 SHEET 1 AB7 3 GLU F 54 ILE F 55 0 SHEET 2 AB7 3 HIS F 129 LYS F 132 -1 O PHE F 130 N ILE F 55 SHEET 3 AB7 3 TYR F 82 ILE F 85 -1 N ILE F 85 O HIS F 129 SHEET 1 AB8 3 CYS F 60 ILE F 62 0 SHEET 2 AB8 3 ILE F 122 ARG F 127 -1 O GLN F 126 N LEU F 61 SHEET 3 AB8 3 PRO F 89 PHE F 93 -1 N SER F 92 O ALA F 123 SHEET 1 AB9 3 TYR G 42 PRO G 47 0 SHEET 2 AB9 3 LEU G 73 ARG G 78 -1 O SER G 74 N GLY G 46 SHEET 3 AB9 3 PHE G 63 ASN G 67 -1 N ARG G 64 O LEU G 77 SHEET 1 AC1 3 LYS G 103 SER G 105 0 SHEET 2 AC1 3 HIS G 96 LYS G 100 -1 N TRP G 98 O SER G 105 SHEET 3 AC1 3 VAL G 113 SER G 116 -1 O GLU G 115 N TYR G 97 SHEET 1 AC2 4 GLN H 5 LEU H 6 0 SHEET 2 AC2 4 LEU H 20 SER H 27 -1 O SER H 27 N GLN H 5 SHEET 3 AC2 4 THR H 79 MET H 84 -1 O VAL H 80 N CYS H 24 SHEET 4 AC2 4 PHE H 69 ASP H 74 -1 N THR H 70 O GLN H 83 SHEET 1 AC3 2 LEU H 13 VAL H 14 0 SHEET 2 AC3 2 THR H 117 VAL H 118 1 O THR H 117 N VAL H 14 SHEET 1 AC4 5 THR H 59 TYR H 61 0 SHEET 2 AC4 5 GLU H 48 ILE H 53 -1 N THR H 52 O ASP H 60 SHEET 3 AC4 5 ASN H 34 ARG H 40 -1 N TRP H 38 O VAL H 50 SHEET 4 AC4 5 VAL H 94 ARG H 101 -1 O PHE H 96 N TYR H 39 SHEET 5 AC4 5 ILE H 108 GLN H 115 -1 O TYR H 109 N ALA H 99 SHEET 1 AC5 4 GLN I 5 SER I 9 0 SHEET 2 AC5 4 SER I 19 SER I 27 -1 O SER I 27 N GLN I 5 SHEET 3 AC5 4 THR I 79 ASN I 85 -1 O LEU I 82 N LEU I 22 SHEET 4 AC5 4 PHE I 69 ASP I 74 -1 N THR I 70 O GLN I 83 SHEET 1 AC6 5 THR I 59 TYR I 61 0 SHEET 2 AC6 5 GLU I 48 THR I 54 -1 N THR I 52 O ASN I 60 SHEET 3 AC6 5 SER I 32 GLN I 41 -1 N MET I 36 O ILE I 53 SHEET 4 AC6 5 ALA I 93 THR I 104 -1 O TYR I 96 N GLY I 39 SHEET 5 AC6 5 SER I 107 SER I 111 -1 O SER I 111 N ALA I 99 SHEET 1 AC7 5 THR I 59 TYR I 61 0 SHEET 2 AC7 5 GLU I 48 THR I 54 -1 N THR I 52 O ASN I 60 SHEET 3 AC7 5 SER I 32 GLN I 41 -1 N MET I 36 O ILE I 53 SHEET 4 AC7 5 ALA I 93 THR I 104 -1 O TYR I 96 N GLY I 39 SHEET 5 AC7 5 THR I 116 VAL I 118 -1 O THR I 116 N TYR I 95 SHEET 1 AC8 4 VAL E 4 SER E 9 0 SHEET 2 AC8 4 SER E 19 GLY E 28 -1 O SER E 27 N GLN E 5 SHEET 3 AC8 4 THR E 79 ASN E 85 -1 O MET E 84 N LEU E 20 SHEET 4 AC8 4 PHE E 69 ASP E 74 -1 N ASP E 74 O THR E 79 SHEET 1 AC9 6 LEU E 13 VAL E 14 0 SHEET 2 AC9 6 THR E 116 VAL E 120 1 O THR E 119 N VAL E 14 SHEET 3 AC9 6 ALA E 93 ALA E 103 -1 N TYR E 95 O THR E 116 SHEET 4 AC9 6 THR E 35 GLN E 41 -1 N THR E 35 O GLU E 100 SHEET 5 AC9 6 GLU E 48 SER E 54 -1 O ALA E 51 N TRP E 38 SHEET 6 AC9 6 ASN E 60 TYR E 61 -1 O ASN E 60 N THR E 52 SHEET 1 AD1 4 LEU E 13 VAL E 14 0 SHEET 2 AD1 4 THR E 116 VAL E 120 1 O THR E 119 N VAL E 14 SHEET 3 AD1 4 ALA E 93 ALA E 103 -1 N TYR E 95 O THR E 116 SHEET 4 AD1 4 ALA E 107 TRP E 112 -1 O ALA E 107 N ALA E 103 SSBOND 1 CYS A 60 CYS A 90 1555 1555 2.03 SSBOND 2 CYS A 70 CYS A 128 1555 1555 2.03 SSBOND 3 CYS A 146 CYS A 155 1555 1555 2.03 SSBOND 4 CYS A 147 CYS A 168 1555 1555 2.03 SSBOND 5 CYS A 176 CYS A 185 1555 1555 2.03 SSBOND 6 CYS A 204 CYS A 213 1555 1555 2.03 SSBOND 7 CYS A 236 CYS A 245 1555 1555 2.03 SSBOND 8 CYS A 247 CYS A 270 1555 1555 2.03 SSBOND 9 CYS A 265 CYS A 291 1555 1555 2.03 SSBOND 10 CYS B 88 CYS B 117 1555 1555 2.03 SSBOND 11 CYS B 89 CYS B 127 1555 1555 2.03 SSBOND 12 CYS B 135 CYS B 145 1555 1555 2.03 SSBOND 13 CYS B 177 CYS B 186 1555 1555 2.03 SSBOND 14 CYS B 223 CYS B 248 1555 1555 2.03 SSBOND 15 CYS B 243 CYS B 267 1555 1555 2.03 SSBOND 16 CYS D 24 CYS D 97 1555 1555 2.03 SSBOND 17 CYS J 24 CYS J 97 1555 1555 2.03 SSBOND 18 CYS F 60 CYS F 90 1555 1555 2.03 SSBOND 19 CYS F 70 CYS F 128 1555 1555 2.03 SSBOND 20 CYS F 146 CYS F 155 1555 1555 2.03 SSBOND 21 CYS F 147 CYS F 168 1555 1555 2.03 SSBOND 22 CYS F 176 CYS F 185 1555 1555 2.03 SSBOND 23 CYS F 204 CYS F 213 1555 1555 2.03 SSBOND 24 CYS F 236 CYS F 245 1555 1555 2.03 SSBOND 25 CYS F 247 CYS F 270 1555 1555 2.03 SSBOND 26 CYS F 265 CYS F 291 1555 1555 2.03 SSBOND 27 CYS G 88 CYS G 117 1555 1555 2.03 SSBOND 28 CYS G 89 CYS G 127 1555 1555 2.03 SSBOND 29 CYS G 135 CYS G 145 1555 1555 2.03 SSBOND 30 CYS G 177 CYS G 186 1555 1555 2.03 SSBOND 31 CYS G 223 CYS G 248 1555 1555 2.03 SSBOND 32 CYS G 243 CYS G 267 1555 1555 2.03 SSBOND 33 CYS I 24 CYS I 97 1555 1555 2.03 SSBOND 34 CYS E 24 CYS E 97 1555 1555 2.03 LINK O ALA A 17 K K F 402 1555 2655 3.28 LINK OD1 ASP A 276 K K F 401 1555 2655 2.56 LINK OD1 ASP B 200 K K B 401 1555 1555 3.07 LINK OD1 ASP F 276 K K F 402 1555 1555 2.60 LINK OD1 ASP G 200 K K G 401 1555 1555 3.11 CISPEP 1 ARG A 221 PRO A 222 0 -2.46 CISPEP 2 ARG F 221 PRO F 222 0 -2.27 CRYST1 150.435 194.282 94.866 90.00 91.26 90.00 C 1 2 1 8 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 0.006647 0.000000 0.000147 0.00000 SCALE2 0.000000 0.005147 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010544 0.00000 MTRIX1 1 0.999527 0.000092 0.030751 -0.30003 1 MTRIX2 1 -0.000660 -0.999701 0.024451 27.38719 1 MTRIX3 1 0.030744 -0.024460 -0.999228 -1.97579 1 MTRIX1 2 0.999138 0.000056 0.041506 -0.20956 1 MTRIX2 2 -0.000330 -0.999957 0.009304 27.69908 1 MTRIX3 2 0.041505 -0.009310 -0.999095 -2.56662 1 MTRIX1 3 0.997574 0.019431 0.066853 -0.52953 1 MTRIX2 3 0.017536 -0.999431 0.028817 26.80454 1 MTRIX3 3 0.067375 -0.027575 -0.997347 -3.61382 1 MTRIX1 4 0.989124 0.029956 0.144004 -1.80367 1 MTRIX2 4 0.027045 -0.999389 0.022129 26.78428 1 MTRIX3 4 0.144579 -0.017994 -0.989330 -5.14937 1 MTRIX1 5 0.998358 -0.019767 0.053757 -0.15863 1 MTRIX2 5 -0.019830 -0.999803 0.000631 28.85774 1 MTRIX3 5 0.053733 -0.001696 -0.998554 -3.06632 1