ordered by inhibitor atom I1 ICR C 503 CB ALA C 126 3.5 C4 ICR C 503 CE2 PHE C 275 3.4 C7 ICR C 503 CD2 PHE C 275 2.9 C7 ICR C 503 CE2 PHE C 275 3.2 C9 ICR C 503 CD2 PHE C 275 3.5 C9 ICR C 503 CD1 ILE C 147 3.5 C10 ICR C 503 CG1 ILE C 147 3.5 C10 ICR C 503 CD1 ILE C 147 3.4 C10 ICR C 503 CG PRO C 271 3.3 C23 ICR C 503 CD1 TYR C 279 3.3 O24 ICR C 503 CD1 TYR C 279 3.3 O24 ICR C 503 CE1 TYR C 279 3.3 O24 ICR P 503 CD2 HIS M 161 3.4 O24 ICR P 503 CE1 HIS M 161 3.4 O24 ICR P 503 NE2 HIS M 161 2.4***** N25 ICR C 503 CD PRO C 271 3.4 C26 ICR C 503 CG2 VAL C 146 3.4 C27 ICR C 503 CG2 ILE C 269 3.5 C27 ICR C 503 CG2 VAL C 146 3.4 C29 ICR C 503 CG2 ILE C 269 3.2 C29 ICR C 503 CA GLY C 143 3.5 C30 ICR C 503 CA GLY C 143 3.5 C31 ICR C 503 CB PRO C 271 3.3 O32 ICR C 503 CB PRO C 271 3.0 O32 ICR C 503 CD1 ILE C 147 3.3 O32 ICR C 503 CD PRO C 271 3.1 O32 ICR C 503 CG PRO C 271 3.2 N33 ICR C 503 CE2 TYR C 132 3.4 C34 ICR C 503 CD2 TYR C 132 3.4 C34 ICR C 503 CD1 ILE C 147 3.5 C35 ICR C 503 CD2 TYR C 132 3.2 C35 ICR C 503 CB PRO C 271 3.5 C35 ICR C 503 CE2 TYR C 132 3.4 O36 ICR C 503 CA PRO C 271 3.3 O36 ICR C 503 CB PRO C 271 3.0 O36 ICR C 503 CE2 TYR C 132 3.3 O36 ICR C 503 CD2 TYR C 132 3.5 O36 ICR C 503 N GLU C 272 3.0***** O36 ICR C 503 CG GLU C 272 3.3 O37 ICR C 503 CD2 TYR C 132 3.4 C38 ICR C 503 CE1 PHE C 275 3.3 Ordered by residue I1 ICR C 503 CB ALA C 126 3.5 C34 ICR C 503 CD2 TYR C 132 3.4 C35 ICR C 503 CD2 TYR C 132 3.2 O36 ICR C 503 CD2 TYR C 132 3.5 O37 ICR C 503 CD2 TYR C 132 3.4 N33 ICR C 503 CE2 TYR C 132 3.4 C35 ICR C 503 CE2 TYR C 132 3.4 O36 ICR C 503 CE2 TYR C 132 3.3 C29 ICR C 503 CA GLY C 143 3.5 C30 ICR C 503 CA GLY C 143 3.5 C26 ICR C 503 CG2 VAL C 146 3.4 C27 ICR C 503 CG2 VAL C 146 3.4 C10 ICR C 503 CG1 ILE C 147 3.5 C9 ICR C 503 CD1 ILE C 147 3.5 C10 ICR C 503 CD1 ILE C 147 3.4 O32 ICR C 503 CD1 ILE C 147 3.3 C34 ICR C 503 CD1 ILE C 147 3.5 C27 ICR C 503 CG2 ILE C 269 3.5 C29 ICR C 503 CG2 ILE C 269 3.2 N25 ICR C 503 CD PRO C 271 3.4 O32 ICR C 503 CD PRO C 271 3.1 O36 ICR C 503 CA PRO C 271 3.3 C31 ICR C 503 CB PRO C 271 3.3 O32 ICR C 503 CB PRO C 271 3.0 C35 ICR C 503 CB PRO C 271 3.5 O36 ICR C 503 CB PRO C 271 3.0 C10 ICR C 503 CG PRO C 271 3.3 O32 ICR C 503 CG PRO C 271 3.2 O36 ICR C 503 N GLU C 272 3.0 O36 ICR C 503 CG GLU C 272 3.3 C7 ICR C 503 CD2 PHE C 275 2.9 C9 ICR C 503 CD2 PHE C 275 3.5 C38 ICR C 503 CE1 PHE C 275 3.3 C4 ICR C 503 CE2 PHE C 275 3.4 C7 ICR C 503 CE2 PHE C 275 3.2 C23 ICR C 503 CD1 TYR C 279 3.3 O24 ICR C 503 CD1 TYR C 279 3.3 O24 ICR C 503 CE1 TYR C 279 3.3 O24 ICR P 503 CD2 HIS M 161 3.4 O24 ICR P 503 CE1 HIS M 161 3.4 O24 ICR P 503 NE2 HIS M 161 2.4 other residues that might interact are E272 carboxylate, Y274 phenolic OH, Y132 OH omit density is good for Y132 right where we have it, with a suggestion of a water molecule. E272 disapears after Cgamma. Y274 has density for ring, not OH. omit2.tif in ~tcromrty shows these three residues. Y132 is pointing toward us, Y274 and E272 are pointing away but the carboxylate of E272 turns around toward us in the model. This is not supported by the omit map, it could as well be pointing toward ICr methyl ester.