C_beta = Atom('CH2')
C_delta_2 = Atom('CH')
C_epsilon_1 = Atom('CH')
C_gamma = Atom('C')
H_epsilon_2 = Atom('H')
N_delta_1 = Atom('N')
N_epsilon_2 = Atom('N')
H_epsilon_1 = Atom('H')
H_delta_2 = Atom('H')
bonds = [Bond(C_gamma, C_beta), Bond(N_delta_1, C_gamma), Bond(C_epsilon_1, N_delta_1), Bond(N_epsilon_2, C_epsilon_1), Bond(H_epsilon_2, N_epsilon_2), Bond(C_delta_2, N_epsilon_2), Bond(C_gamma, C_delta_2), Bond(C_epsilon_1,H_epsilon_1), Bond(C_delta_2,H_delta_2)]
pdbmap = [('HIE', {'CG': C_gamma, 'CB': C_beta, 'ND1': N_delta_1, 'CE1': C_epsilon_1, '2HE': H_epsilon_2, 'CD2': C_delta_2, 'NE2': N_epsilon_2, '1HE': H_epsilon_1, '2HD': H_delta_2 }, ), ]
pdb_alternative = {'1HB': '3HB', 'HB2': '2HB', 'HB3': '3HB', 'HE1': '1HE', 'HB1': '3HB', 'HD2': '2HD', 'HE2': '2HE', 'HNE': '2HE'}
opls_atom_type = {C_epsilon_1: 'CK', C_delta_2: 'CK', N_delta_1: 'NB', H_epsilon_2: 'H', C_beta: 'C2', C_gamma: 'CK', N_epsilon_2: 'NA', H_epsilon_1: 'HK', H_delta_2: 'HK' }
opls_charge = {C_epsilon_1: .295, C_delta_2: .015, N_delta_1: -.49, H_epsilon_2: .42, C_beta: .115, C_gamma: -.015, N_epsilon_2: -.57, H_epsilon_1: .115, H_delta_2: .115 }
name = 'hie_sidechain'
