Table 3. Atomic Charges for the Glutamate Residue (e): AMBER (GLU) and Reparameterized (GLZ)^a.

atoms	AMBER (GLU)	GLZ
N	–0.5163	–0.5163
H	0.2936	0.2936
CA	0.0397	0.1350
HA	0.1105	0.0566
CB	0.0560	–0.0325
HB1	–0.0173	–0.0005
HB2	–0.0173	–0.0005
CG	0.0136	0.2766
HG1	–0.0425	–0.0548
HG2	–0.0425	–0.0548
CD	0.8054	0.6926
OE1	–0.8188	–1.0627
OE2	–0.8188	–0.6870
C	0.5366	0.5366
O	–0.5819	–0.5819

^aThe atoms are labeled with AMBER atom names.