[ molecule ] HIS ;;;; is in fact HSP but if one of nitrogen is missing in the input topology file, will become HSE or HSD automatically [ martini ] BB SC1 SC2 SC3 [ mapping ] amber [ atoms ] 1 N BB 2 HN BB 3 CA BB 4 HA BB 5 CB SC1 BB 6 HB1 SC1 BB 7 HB2 SC1 BB 8 CD2 SC2 SC1 9 HD2 SC2 SC1 10 CG SC1 11 NE2 SC2 12 HE2 SC2 13 ND1 SC3 SC1 14 HD1 SC3 SC1 15 CE1 SC3 SC2 16 HE1 SC3 17 C BB 18 O BB [ chiral ] CB CA N C HB1 CA N C HB2 CA N C [ chiral ] HA CA N CB C ; L-His ; HA CA N C CB ; D-His [out] HD1 ND1 CG NE2 HD2 CD2 CE1 CG HE2 NE2 CE1 CD2