HEADER OXIDOREDUCTASE (H2O2 ACCEPTOR) 15-NOV-84 8CAT 8CAT 3 COMPND CATALASE (E.C.1.11.1.6) 8CAT 4 SOURCE BEEF (BOS $TAURUS) LIVER 8CAT 5 AUTHOR M.R.N.MURTHY,T.J.REID /III$,A.SICIGNANO,N.TANAKA, 8CAT 6 AUTHOR 2 I.FITA,M.G.ROSSMANN 8CATE 1 REVDAT 6 16-APR-88 8CATE 1 AUTHOR 8CATE 2 REVDAT 5 24-OCT-86 8CATD 1 REMARK 8CATD 1 REVDAT 4 25-APR-86 8CATC 1 REMARK 8CATC 1 REVDAT 3 29-OCT-85 8CATB 1 REMARK 8CATB 1 REVDAT 2 12-JUL-85 8CATA 1 JRNL 8CATA 1 REVDAT 1 01-APR-85 8CAT 0 8CAT 8 SPRSDE 01-APR-85 8CAT 3CAT 8CAT 9 JRNL AUTH I.FITA,M.G.ROSSMANN 8CATA 2 JRNL TITL THE /NADPH$ BINDING SITE ON BEEF LIVER CATALASE 8CATA 3 JRNL REF PROC.NAT.ACAD.SCI.USA V. 82 1604 1985 8CATA 4 JRNL REFN ASTM PNASA6 US ISSN 0027-8424 040 8CATA 5 REMARK 1 8CAT 10 REMARK 1 REFERENCE 1 8CATD 2 REMARK 1 AUTH I.FITA,A.M.SILVA,M.R.N.MURTHY,M.G.ROSSMANN 8CATD 3 REMARK 1 TITL THE REFINED STRUCTURE OF BEEF LIVER CATALASE AT 2.5 8CATD 4 REMARK 1 TITL 2 ANGSTROMS RESOLUTION 8CATD 5 REMARK 1 REF ACTA CRYSTALLOGR.,SECT.B V. 42 497 1986 8CATD 6 REMARK 1 REFN ASTM ASBSDK DK ISSN 0108-7681 622 8CATD 7 REMARK 1 REFERENCE 2 8CATD 8 REMARK 1 AUTH W.R.MELIK-*ADAMYAN,V.V.BARYNIN,A.A.VAGIN, 8CATC 3 REMARK 1 AUTH 2 V.V.BORISOV,B.K.VAINSHTEIN,I.FITA,M.R.N.MURTHY, 8CATC 4 REMARK 1 AUTH 3 M.G.ROSSMANN 8CATC 5 REMARK 1 TITL COMPARISON OF BEEF LIVER AND PENICILLIUM $VITALE 8CATC 6 REMARK 1 TITL 2 CATALASES 8CATC 7 REMARK 1 REF J.MOL.BIOL. V. 188 63 1986 8CATC 8 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 8CATC 9 REMARK 1 REFERENCE 3 8CATD 9 REMARK 1 AUTH I.FITA,M.G.ROSSMANN 8CATB 3 REMARK 1 TITL THE ACTIVE CENTER OF CATALASE 8CATB 4 REMARK 1 REF J.MOL.BIOL. V. 185 21 1985 8CATB 5 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 8CATB 6 REMARK 1 REFERENCE 4 8CATD 10 REMARK 1 AUTH M.R.N.MURTHY,T.J.REID /III$,A.SICIGNANO,N.TANAKA, 8CAT 12 REMARK 1 AUTH 2 M.G.ROSSMANN 8CAT 13 REMARK 1 TITL STRUCTURE OF BEEF LIVER CATALASE 8CAT 14 REMARK 1 REF J.MOL.BIOL. V. 152 465 1981 8CAT 15 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 8CAT 16 REMARK 1 REFERENCE 5 8CATD 11 REMARK 1 AUTH M.R.N.MURTHY,T.J.REID /III$,A.SICIGNANO,N.TANAKA, 8CAT 18 REMARK 1 AUTH 2 M.G.ROSSMANN 8CAT 19 REMARK 1 TITL THE STRUCTURE OF BEEF LIVER CATALASE 8CAT 20 REMARK 1 REF KRISTALLOGRAFIYA V. 26 1017 1981 8CAT 21 REMARK 1 REFN ASTM KRISAJ UR ISSN 0023-4761 041 8CAT 22 REMARK 1 REFERENCE 6 8CATD 12 REMARK 1 AUTH M.R.N.MURTHY,T.J.REID /III$,A.SICIGNANO,N.TANAKA, 8CAT 24 REMARK 1 AUTH 2 M.G.ROSSMANN 8CAT 25 REMARK 1 TITL THE STRUCTURE OF BEEF LIVER CATALASE 8CAT 26 REMARK 1 REF SOV.PHYS.CRYSTALLOGR.(ENGL. V. 26 577 1981 8CAT 27 REMARK 1 REF 2 TRANSL.) 8CAT 28 REMARK 1 REFN ASTM SPHCA6 US ISSN 0038-5638 902 8CAT 29 REMARK 1 REFERENCE 7 8CATD 13 REMARK 1 AUTH T.J.REID /III$,M.R.N.MURTHY,A.SICIGNANO,N.TANAKA, 8CAT 31 REMARK 1 AUTH 2 W.D.L.MUSICK,M.G.ROSSMANN 8CAT 32 REMARK 1 TITL STRUCTURE AND HEME ENVIRONMENT OF BEEF LIVER 8CAT 33 REMARK 1 TITL 2 CATALASE AT 2.5 ANGSTROMS RESOLUTION 8CAT 34 REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 78 4767 1981 8CAT 35 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 8CAT 36 REMARK 1 REFERENCE 8 8CATD 14 REMARK 1 AUTH W.EVENTOFF,N.TANAKA,M.G.ROSSMANN 8CAT 38 REMARK 1 TITL CRYSTALLINE BOVINE LIVER CATALASE 8CAT 39 REMARK 1 REF J.MOL.BIOL. V. 103 799 1976 8CAT 40 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 8CAT 41 REMARK 1 REFERENCE 9 8CATD 15 REMARK 1 AUTH W.EVENTOFF,G.V.GURSKAYA 8CAT 43 REMARK 1 TITL THE MOLECULAR SYMMETRY OF BOVINE LIVER CATALASE 8CAT 44 REMARK 1 REF J.MOL.BIOL. V. 93 55 1975 8CAT 45 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 8CAT 46 REMARK 2 8CAT 47 REMARK 2 RESOLUTION. 2.5 ANGSTROMS. 8CAT 48 REMARK 3 8CAT 49 REMARK 3 REFINEMENT. BY THE METHOD OF KONNERT-HENDRICKSON. THE 8CAT 50 REMARK 3 R-VALUE FOR ALL REFLECTIONS IN THE RANGE 8.5 TO 2.5 8CAT 51 REMARK 3 ANGSTROMS IS 0.191. THE RMS DEVIATION FROM IDEALITY OF 8CAT 52 REMARK 3 THE BOND LENGTHS IS 0.29 ANGSTROMS. IN THIS REFINEMENT 8CAT 53 REMARK 3 THE CONSTRAINT OF THE NON-CRYSTALLOGRAPHIC TWO-FOLD AXIS 8CAT 54 REMARK 3 RELATING THE TWO INDEPENDENT SUBUNITS WAS RELAXED. 8CAT 55 REMARK 3 ANOTHER SET OF COORDINATES IS AVAILABLE FROM THE PROTEIN 8CAT 56 REMARK 3 DATA BANK AS A SEPARATE ENTRY IN WHICH THIS CONSTRAINT WAS 8CAT 57 REMARK 3 MAINTAINED. THE RESULTS ARE VERY SIMILAR IN BOTH 8CAT 58 REMARK 3 REFINEMENTS EXCEPT FOR A FEW RESIDUES MAINLY INVOLVED IN 8CAT 59 REMARK 3 CRYSTAL CONTACTS. 8CAT 60 REMARK 4 8CAT 61 REMARK 4 THE CATALASE MOLECULE COMPRISES FOUR IDENTICAL CHAINS, EACH 8CAT 62 REMARK 4 WITH A HEME GROUP. THERE ARE THREE CATALASE MOLECULES IN 8CAT 63 REMARK 4 THE UNIT CELL. THE AXIAL SYSTEM USED IN THIS ENTRY IS THE 8CAT 64 REMARK 4 P,Q,R SYSTEM AS DEFINED IN THE PAPER CITED IN REFERENCE 1. 8CAT 65 REMARK 4 TO GENERATE A TETRAMERIC CATALASE MOLECULE FROM THE TWO 8CAT 66 REMARK 4 CHAINS GIVEN BELOW ONE MUST APPLY THE CRYSTALLOGRAPHIC 8CAT 67 REMARK 4 TWO-FOLD (ROTATION ABOUT Q) GIVEN BY 8CAT 68 REMARK 4 8CAT 69 REMARK 4 TRNSF1 1 -1.000 0.000 0.000 8CAT 70 REMARK 4 TRNSF2 1 0.000 1.000 0.000 8CAT 71 REMARK 4 TRNSF3 1 0.000 0.000 -1.000 8CAT 72 REMARK 4 8CAT 73 REMARK 4 TO THE DIMER IN THIS ENTRY. THE NON-CRYSTALLOGRAPHIC 8CAT 74 REMARK 4 TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW (TWO-FOLD 8CAT 75 REMARK 4 ROTATION ABOUT R) GENERATES APPROXIMATE COORDINATES FOR 8CAT 76 REMARK 4 CHAIN *B* WHEN APPLIED TO CHAIN *A*. 8CAT 77 REMARK 4 AROUND R) GENERATES APPROXIMATE COORDINATES FOR CHAIN *B* 8CAT 78 REMARK 4 WHEN APPLIED TO CHAIN *A*. 8CAT 79 REMARK 5 8CAT 80 REMARK 5 COORDINATES FOR RESIDUES 1-2 AND 501-506 OF EACH CHAIN ARE 8CAT 81 REMARK 5 NOT INCLUDED. 8CAT 82 REMARK 6 8CAT 83 REMARK 6 THE NINE-STRANDED SHEETS S1A AND S1B DESCRIBED BELOW ARE 8CAT 84 REMARK 6 ACTUALLY EIGHT-STRANDED BETA BARRELS. THIS IS DENOTED BY 8CAT 85 REMARK 6 THE FIRST STRAND RECURRING AS THE LAST STRAND. 8CAT 86 REMARK 7 8CATA 6 REMARK 7 CORRECTION. INSERT JRNL REFERENCE. 12-JUL-85. 8CATA 7 REMARK 8 8CATB 13 REMARK 8 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND 8CATB 14 REMARK 8 RENUMBER THE OTHERS. 29-OCT-85. 8CATB 15 REMARK 9 8CATC 17 REMARK 9 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND 8CATC 18 REMARK 9 RENUMBER THE OTHERS. 25-APR-86. 8CATC 19 REMARK 10 8CATD 16 REMARK 10 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND 8CATD 17 REMARK 10 RENUMBER THE OTHERS. 24-OCT-86. 8CATD 18 REMARK 11 8CATE 3 REMARK 11 CORRECTION. REVISE ORDER OF NAMES ON AUTHOR RECORD. 8CATE 4 REMARK 11 16-APR-88. 8CATE 5 SEQRES 1 A 506 ALA ASP ASN ARG ASP PRO ALA SER ASP GLN MET LYS HIS 8CAT 87 SEQRES 2 A 506 TRP LYS GLU GLN ARG ALA ALA GLN LYS PRO ASP VAL LEU 8CAT 88 SEQRES 3 A 506 THR THR GLY GLY GLY ASN PRO VAL GLY ASP LYS LEU ASN 8CAT 89 SEQRES 4 A 506 SER LEU THR VAL GLY PRO ARG GLY PRO LEU LEU VAL GLN 8CAT 90 SEQRES 5 A 506 ASP VAL VAL PHE THR ASP GLU MET ALA HIS PHE ASP ARG 8CAT 91 SEQRES 6 A 506 GLU ARG ILE PRO GLU ARG VAL VAL HIS ALA LYS GLY ALA 8CAT 92 SEQRES 7 A 506 GLY ALA PHE GLY TYR PHE GLU VAL THR HIS ASP ILE THR 8CAT 93 SEQRES 8 A 506 ARG TYR SER LYS ALA LYS VAL PHE GLU HIS ILE GLY LYS 8CAT 94 SEQRES 9 A 506 ARG THR PRO ILE ALA VAL ARG PHE SER THR VAL ALA GLY 8CAT 95 SEQRES 10 A 506 GLU SER GLY SER ALA ASP THR VAL ARG ASP PRO ARG GLY 8CAT 96 SEQRES 11 A 506 PHE ALA VAL LYS PHE TYR THR GLU ASP GLY ASN TRP ASP 8CAT 97 SEQRES 12 A 506 LEU VAL GLY ASN ASN THR PRO ILE PHE PHE ILE ARG ASP 8CAT 98 SEQRES 13 A 506 ALA LEU LEU PHE PRO SER PHE ILE HIS SER GLN LYS ARG 8CAT 99 SEQRES 14 A 506 ASN PRO GLN THR HIS LEU LYS ASP PRO ASP MET VAL TRP 8CAT 100 SEQRES 15 A 506 ASP PHE TRP SER LEU ARG PRO GLU SER LEU HIS GLN VAL 8CAT 101 SEQRES 16 A 506 SER PHE LEU PHE SER ASP ARG GLY ILE PRO ASP GLY HIS 8CAT 102 SEQRES 17 A 506 ARG HIS MET ASP GLY TYR GLY SER HIS THR PHE LYS LEU 8CAT 103 SEQRES 18 A 506 VAL ASN ALA ASP GLY GLU ALA VAL TYR CYS LYS PHE HIS 8CAT 104 SEQRES 19 A 506 TYR LYS THR ASP GLN GLY ILE LYS ASN LEU SER VAL GLU 8CAT 105 SEQRES 20 A 506 ASP ALA ALA ARG LEU ALA HIS GLU ASP PRO ASP TYR GLY 8CAT 106 SEQRES 21 A 506 LEU ARG ASP LEU PHE ASN ALA ILE ALA THR GLY ASN TYR 8CAT 107 SEQRES 22 A 506 PRO SER TRP THR LEU TYR ILE GLN VAL MET THR PHE SER 8CAT 108 SEQRES 23 A 506 GLU ALA GLU ILE PHE PRO PHE ASN PRO PHE ASP LEU THR 8CAT 109 SEQRES 24 A 506 LYS VAL TRP PRO HIS GLY ASP TYR PRO LEU ILE PRO VAL 8CAT 110 SEQRES 25 A 506 GLY LYS LEU VAL LEU ASN ARG ASN PRO VAL ASN TYR PHE 8CAT 111 SEQRES 26 A 506 ALA GLU VAL GLU GLN LEU ALA PHE ASP PRO SER ASN MET 8CAT 112 SEQRES 27 A 506 PRO PRO GLY ILE GLU PRO SER PRO ASP LYS MET LEU GLN 8CAT 113 SEQRES 28 A 506 GLY ARG LEU PHE ALA TYR PRO ASP THR HIS ARG HIS ARG 8CAT 114 SEQRES 29 A 506 LEU GLY PRO ASN TYR LEU GLN ILE PRO VAL ASN CYS PRO 8CAT 115 SEQRES 30 A 506 TYR ARG ALA ARG VAL ALA ASN TYR GLN ARG ASP GLY PRO 8CAT 116 SEQRES 31 A 506 MET CYS MET MET ASP ASN GLN GLY GLY ALA PRO ASN TYR 8CAT 117 SEQRES 32 A 506 TYR PRO ASN SER PHE SER ALA PRO GLU HIS GLN PRO SER 8CAT 118 SEQRES 33 A 506 ALA LEU GLU HIS ARG THR HIS PHE SER GLY ASP VAL GLN 8CAT 119 SEQRES 34 A 506 ARG PHE ASN SER ALA ASN ASP ASP ASN VAL THR GLN VAL 8CAT 120 SEQRES 35 A 506 ARG THR PHE TYR LEU LYS VAL LEU ASN GLU GLU GLN ARG 8CAT 121 SEQRES 36 A 506 LYS ARG LEU CYS GLU ASN ILE ALA GLY HIS LEU LYS ASP 8CAT 122 SEQRES 37 A 506 ALA GLN LEU PHE ILE GLN LYS LYS ALA VAL LYS ASN PHE 8CAT 123 SEQRES 38 A 506 SER ASP VAL HIS PRO GLU TYR GLY SER ARG ILE GLN ALA 8CAT 124 SEQRES 39 A 506 LEU LEU ASP LYS TYR ASN GLU GLU LYS PRO LYS ASN 8CAT 125 SEQRES 1 B 506 ALA ASP ASN ARG ASP PRO ALA SER ASP GLN MET LYS HIS 8CAT 126 SEQRES 2 B 506 TRP LYS GLU GLN ARG ALA ALA GLN LYS PRO ASP VAL LEU 8CAT 127 SEQRES 3 B 506 THR THR GLY GLY GLY ASN PRO VAL GLY ASP LYS LEU ASN 8CAT 128 SEQRES 4 B 506 SER LEU THR VAL GLY PRO ARG GLY PRO LEU LEU VAL GLN 8CAT 129 SEQRES 5 B 506 ASP VAL VAL PHE THR ASP GLU MET ALA HIS PHE ASP ARG 8CAT 130 SEQRES 6 B 506 GLU ARG ILE PRO GLU ARG VAL VAL HIS ALA LYS GLY ALA 8CAT 131 SEQRES 7 B 506 GLY ALA PHE GLY TYR PHE GLU VAL THR HIS ASP ILE THR 8CAT 132 SEQRES 8 B 506 ARG TYR SER LYS ALA LYS VAL PHE GLU HIS ILE GLY LYS 8CAT 133 SEQRES 9 B 506 ARG THR PRO ILE ALA VAL ARG PHE SER THR VAL ALA GLY 8CAT 134 SEQRES 10 B 506 GLU SER GLY SER ALA ASP THR VAL ARG ASP PRO ARG GLY 8CAT 135 SEQRES 11 B 506 PHE ALA VAL LYS PHE TYR THR GLU ASP GLY ASN TRP ASP 8CAT 136 SEQRES 12 B 506 LEU VAL GLY ASN ASN THR PRO ILE PHE PHE ILE ARG ASP 8CAT 137 SEQRES 13 B 506 ALA LEU LEU PHE PRO SER PHE ILE HIS SER GLN LYS ARG 8CAT 138 SEQRES 14 B 506 ASN PRO GLN THR HIS LEU LYS ASP PRO ASP MET VAL TRP 8CAT 139 SEQRES 15 B 506 ASP PHE TRP SER LEU ARG PRO GLU SER LEU HIS GLN VAL 8CAT 140 SEQRES 16 B 506 SER PHE LEU PHE SER ASP ARG GLY ILE PRO ASP GLY HIS 8CAT 141 SEQRES 17 B 506 ARG HIS MET ASP GLY TYR GLY SER HIS THR PHE LYS LEU 8CAT 142 SEQRES 18 B 506 VAL ASN ALA ASP GLY GLU ALA VAL TYR CYS LYS PHE HIS 8CAT 143 SEQRES 19 B 506 TYR LYS THR ASP GLN GLY ILE LYS ASN LEU SER VAL GLU 8CAT 144 SEQRES 20 B 506 ASP ALA ALA ARG LEU ALA HIS GLU ASP PRO ASP TYR GLY 8CAT 145 SEQRES 21 B 506 LEU ARG ASP LEU PHE ASN ALA ILE ALA THR GLY ASN TYR 8CAT 146 SEQRES 22 B 506 PRO SER TRP THR LEU TYR ILE GLN VAL MET THR PHE SER 8CAT 147 SEQRES 23 B 506 GLU ALA GLU ILE PHE PRO PHE ASN PRO PHE ASP LEU THR 8CAT 148 SEQRES 24 B 506 LYS VAL TRP PRO HIS GLY ASP TYR PRO LEU ILE PRO VAL 8CAT 149 SEQRES 25 B 506 GLY LYS LEU VAL LEU ASN ARG ASN PRO VAL ASN TYR PHE 8CAT 150 SEQRES 26 B 506 ALA GLU VAL GLU GLN LEU ALA PHE ASP PRO SER ASN MET 8CAT 151 SEQRES 27 B 506 PRO PRO GLY ILE GLU PRO SER PRO ASP LYS MET LEU GLN 8CAT 152 SEQRES 28 B 506 GLY ARG LEU PHE ALA TYR PRO ASP THR HIS ARG HIS ARG 8CAT 153 SEQRES 29 B 506 LEU GLY PRO ASN TYR LEU GLN ILE PRO VAL ASN CYS PRO 8CAT 154 SEQRES 30 B 506 TYR ARG ALA ARG VAL ALA ASN TYR GLN ARG ASP GLY PRO 8CAT 155 SEQRES 31 B 506 MET CYS MET MET ASP ASN GLN GLY GLY ALA PRO ASN TYR 8CAT 156 SEQRES 32 B 506 TYR PRO ASN SER PHE SER ALA PRO GLU HIS GLN PRO SER 8CAT 157 SEQRES 33 B 506 ALA LEU GLU HIS ARG THR HIS PHE SER GLY ASP VAL GLN 8CAT 158 SEQRES 34 B 506 ARG PHE ASN SER ALA ASN ASP ASP ASN VAL THR GLN VAL 8CAT 159 SEQRES 35 B 506 ARG THR PHE TYR LEU LYS VAL LEU ASN GLU GLU GLN ARG 8CAT 160 SEQRES 36 B 506 LYS ARG LEU CYS GLU ASN ILE ALA GLY HIS LEU LYS ASP 8CAT 161 SEQRES 37 B 506 ALA GLN LEU PHE ILE GLN LYS LYS ALA VAL LYS ASN PHE 8CAT 162 SEQRES 38 B 506 SER ASP VAL HIS PRO GLU TYR GLY SER ARG ILE GLN ALA 8CAT 163 SEQRES 39 B 506 LEU LEU ASP LYS TYR ASN GLU GLU LYS PRO LYS ASN 8CAT 164 FTNOTE 1 8CAT 165 FTNOTE 1 RESIDUE 405 IS A CIS-PROLINE. 8CAT 166 HET HEM A 1 43 PROTOPORPHYRIN IX, WITH FE3+ 8CAT 167 HET NDP A 2 48 NADPH 8CAT 168 HET HEM B 1 43 PROTOPORPHYRIN IX, WITH FE3+ 8CAT 169 HET NDP B 2 48 NADPH 8CAT 170 FORMUL 3 HEM 2(C34 H32 N4 O4 FE1 +++) 8CAT 171 FORMUL 4 NDP 2(C21 H27 N7 O17 P3) 8CAT 172 FORMUL 5 HOH *98(H2 O1) 8CAT 173 HELIX 1 H1A ASP A 9 ALA A 19 1 8CAT 174 HELIX 2 H2A ASP A 53 ARG A 67 1 8CAT 175 HELIX 3 H3A ASP A 156 LYS A 168 1 8CAT 176 HELIX 4 H4A ASP A 177 ARG A 188 1 8CAT 177 HELIX 5 H5A PRO A 189 SER A 200 1 8CAT 178 HELIX 6 H6A SER A 245 ASP A 256 1 8CAT 179 HELIX 7 H7A ASP A 258 ASN A 272 1 8CAT 180 HELIX 8 H8A ASN A 323 GLU A 329 1 8CAT 181 HELIX 9 H9A ASP A 347 GLY A 366 1 8CAT 182 HELIX 10 10A ASP A 437 LEU A 447 1 8CAT 183 HELIX 11 11A ASN A 451 LYS A 467 1 8CAT 184 HELIX 12 12A GLN A 470 ASP A 483 1 8CAT 185 HELIX 13 13A HIS A 485 ASN A 500 1 8CAT 186 HELIX 14 H1B ASP B 9 ALA B 19 1 8CAT 187 HELIX 15 H2B ASP B 53 ARG B 67 1 8CAT 188 HELIX 16 H3B ASP B 156 LYS B 168 1 8CAT 189 HELIX 17 H4B ASP B 177 ARG B 188 1 8CAT 190 HELIX 18 H5B PRO B 189 SER B 200 1 8CAT 191 HELIX 19 H6B SER B 245 ASP B 256 1 8CAT 192 HELIX 20 H7B ASP B 258 ASN B 272 1 8CAT 193 HELIX 21 H8B ASN B 323 GLU B 329 1 8CAT 194 HELIX 22 H9B ASP B 347 GLY B 366 1 8CAT 195 HELIX 23 10B ASP B 437 LEU B 447 1 8CAT 196 HELIX 24 11B ASN B 451 LYS B 467 1 8CAT 197 HELIX 25 12B GLN B 470 ASP B 483 1 8CAT 198 HELIX 26 13B HIS B 485 ASN B 500 1 8CAT 199 SHEET 1 S1A 9 LYS A 76 VAL A 86 0 8CAT 200 SHEET 2 S1A 9 LYS A 104 THR A 114 -1 N ILE A 108 O GLY A 82 8CAT 201 SHEET 3 S1A 9 ARG A 129 PHE A 135 -1 N ALA A 132 O ARG A 111 8CAT 202 SHEET 4 S1A 9 TRP A 142 ASN A 148 -1 N LEU A 144 O VAL A 133 8CAT 203 SHEET 5 S1A 9 GLY A 213 ASN A 223 -1 N SER A 216 O VAL A 145 8CAT 204 SHEET 6 S1A 9 GLY A 226 GLN A 239 -1 N TYR A 230 O PHE A 219 8CAT 205 SHEET 7 S1A 9 PRO A 274 MET A 283 -1 N TYR A 279 O TYR A 235 8CAT 206 SHEET 8 S1A 9 GLY A 313 LEU A 317 -1 N LEU A 315 O TRP A 276 8CAT 207 SHEET 9 S1A 9 LYS A 76 VAL A 86 -1 N GLU A 85 O LYS A 314 8CAT 208 SHEET 1 S1B 9 LYS B 76 VAL B 86 0 8CAT 209 SHEET 2 S1B 9 LYS B 104 THR B 114 -1 N ILE B 108 O GLY B 82 8CAT 210 SHEET 3 S1B 9 ARG B 129 PHE B 135 -1 N ALA B 132 O ARG B 111 8CAT 211 SHEET 4 S1B 9 TRP B 142 ASN B 148 -1 N LEU B 144 O VAL B 133 8CAT 212 SHEET 5 S1B 9 GLY B 213 ASN B 223 -1 N SER B 216 O VAL B 145 8CAT 213 SHEET 6 S1B 9 GLY B 226 GLN B 239 -1 N TYR B 230 O PHE B 219 8CAT 214 SHEET 7 S1B 9 PRO B 274 MET B 283 -1 N TYR B 279 O TYR B 235 8CAT 215 SHEET 8 S1B 9 GLY B 313 LEU B 317 -1 N LEU B 315 O TRP B 276 8CAT 216 SHEET 9 S1B 9 LYS B 76 VAL B 86 -1 N GLU B 85 O LYS B 314 8CAT 217 CRYST1 142.000 142.000 103.700 90.00 90.00 120.00 P 32 2 1 12 8CAT 218 ORIGX1 1.000000 0.000000 0.000000 0.00000 8CAT 219 ORIGX2 0.000000 1.000000 0.000000 0.00000 8CAT 220 ORIGX3 0.000000 0.000000 1.000000 0.00000 8CAT 221 SCALE1 .007907 0.000000 -.001898 0.00000 8CAT 222 SCALE2 .003954 .007042 -.000949 .65200 8CAT 223 SCALE3 .002251 0.000000 .009377 .83333 8CAT 224 MTRIX1 1 -1.000000 0.000000 0.000000 0.00000 1 8CAT 225 MTRIX2 1 0.000000 -1.000000 0.000000 0.00000 1 8CAT 226 MTRIX3 1 0.000000 0.000000 1.000000 0.00000 1 8CAT 227