RESIDUE A1AWW 93 CONECT CD1 3 OE1 N2 CG1 CONECT CA2 4 N2 C2 CB2 HA2 CONECT N3 3 CA3 C2 HN3 CONECT CA3 4 N3 C3 HA32 HA31 CONECT C20 4 C21 SG2 C31 H20 CONECT C21 4 C20 C22 H21B H21A CONECT C22 4 C21 C23 H22B H22A CONECT C24 4 C23 C25 H24B H24A CONECT C26 4 C25 C27 H26B H26A CONECT C28 3 C27 O29 O30 CONECT N1 3 CA1 H3 HN11 CONECT CA1 4 N1 C1 CB1 HA1 CONECT C1 3 CA1 O11 O12 CONECT O11 1 C1 CONECT CB1 4 CA1 CG1 HB13 HB12 CONECT OE1 1 CD1 CONECT N2 3 CD1 CA2 HN2 CONECT C2 3 CA2 N3 O2 CONECT C3 3 CA3 O32 O31 CONECT O32 2 C3 H32 CONECT O31 1 C3 CONECT O2 1 C2 CONECT CB2 4 CA2 SG2 HB23 HB22 CONECT SG2 2 C20 CB2 CONECT C23 4 C22 C24 H23A H23B CONECT C25 4 C24 C26 H25A H25B CONECT C27 4 C26 C28 H27A H27B CONECT O29 2 C28 H4 CONECT O30 1 C28 CONECT C31 4 C20 C32 N40 H31 CONECT C32 4 C31 C33 H32B H32A CONECT C33 4 C32 C34 H33A H33B CONECT C34 4 C33 C35 H34A H34B CONECT C35 4 C34 C36 H35B H35A CONECT C36 4 C35 C37 H36B H36A CONECT C37 4 C36 C38 H37A H37B CONECT C38 4 C37 C39 H38A H38B CONECT C39 4 C38 H39A H39C H39B CONECT N40 3 C31 O41 O42 CONECT O41 1 N40 CONECT O42 1 N40 CONECT CG1 4 CD1 CB1 HG12 HG13 CONECT O12 2 C1 H12 CONECT HA2 1 CA2 CONECT HN3 1 N3 CONECT HA32 1 CA3 CONECT HA31 1 CA3 CONECT H20 1 C20 CONECT H21B 1 C21 CONECT H21A 1 C21 CONECT H22B 1 C22 CONECT H22A 1 C22 CONECT H24B 1 C24 CONECT H24A 1 C24 CONECT H26B 1 C26 CONECT H26A 1 C26 CONECT H3 1 N1 CONECT HN11 1 N1 CONECT HA1 1 CA1 CONECT HB13 1 CB1 CONECT HB12 1 CB1 CONECT HN2 1 N2 CONECT H32 1 O32 CONECT HB23 1 CB2 CONECT HB22 1 CB2 CONECT H23A 1 C23 CONECT H23B 1 C23 CONECT H25A 1 C25 CONECT H25B 1 C25 CONECT H27A 1 C27 CONECT H27B 1 C27 CONECT H4 1 O29 CONECT H31 1 C31 CONECT H32B 1 C32 CONECT H32A 1 C32 CONECT H33A 1 C33 CONECT H33B 1 C33 CONECT H34A 1 C34 CONECT H34B 1 C34 CONECT H35B 1 C35 CONECT H35A 1 C35 CONECT H36B 1 C36 CONECT H36A 1 C36 CONECT H37A 1 C37 CONECT H37B 1 C37 CONECT H38A 1 C38 CONECT H38B 1 C38 CONECT H39A 1 C39 CONECT H39C 1 C39 CONECT H39B 1 C39 CONECT HG12 1 CG1 CONECT HG13 1 CG1 CONECT H12 1 O12 END HET A1AWW 93 HETNAM A1AWW L-gamma-glutamyl-S-[(8R,9S)-1-carboxy-9-nitroheptadecan HETNAM 2 A1AWW -8-yl]-L-cysteinylglycine FORMUL A1AWW C28 H50 N4 O10 S