RESI GLUD -1.00 GROUP ATOM N NH1 -0.47 ! | ATOM HN H 0.31 ! HN-N ATOM CA CT1 0.07 ! | HB1 HG1 OE1 ATOM HA HB 0.09 ! | | | // GROUP ! HA-CA--CB--CG--CD ATOM CB CT2 -0.18 ! | |\ | \ ATOM HB1 HA 0.09 ! | HB2 \ HG2 OE2(-) ATOM HB2 HA 0.09 ! O=C \ GROUP ! | \ HE1 OH1 ATOM CG CT2 -0.28 ! \| // ATOM HG1 HA 0.09 ! CE--CZ ATOM HG2 HA 0.09 ! | \ ATOM CD CC 0.62 ! HE2 OH2-HH2 ATOM OE1 OC -0.76 ATOM OE2 OC -0.76 GROUP ATOM CE CT2 -0.21 ATOM HE1 HA 0.09 ATOM HE2 HA 0.09 ATOM CZ CD 0.75 ATOM OH1 OB -0.55 ATOM OH2 OH1 -0.61 ATOM HH2 H 0.44 GROUP ATOM C C 0.51 ATOM O O -0.51 BOND N HN N CA C CA C +N BOND CA HA CB CA CB HB1 CB HB2 BOND CG CB CD CG OE2 CD !---- BOND CG HG1 CG HG2 ! Deprotonated DOUBLE O C CD OE1 ! IMPR CD CG OE2 OE1 !---- IMPR N -C CA HN C CA +N O BOND CE CB CZ CE OH2 CZ HH2 OH2 !---- BOND CE HE1 CE HE2 ! Protonated DOUBLE CZ OH1 ! IMPR CZ CE OH2 OH1 !---- CMAP -C N CA C N CA C +N DONOR HN N ACCEPTOR OE1 CD ACCEPTOR OE2 CD ACCEPTOR OH1 CZ ACCEPTOR O C DONOR HH2 OH2 IC -C CA *N HN 1.3471 124.4500 180.0000 113.9900 0.9961 IC -C N CA C 1.3471 124.4500 180.0000 107.2700 1.5216 IC N CA C +N 1.4512 107.2700 180.0000 117.2500 1.3501 IC +N CA *C O 1.3501 117.2500 180.0000 121.0700 1.2306 IC CA C +N +CA 1.5216 117.2500 180.0000 124.3000 1.4530 IC N C *CA CB 1.4512 107.2700 121.9000 111.7100 1.5516 IC N C *CA HA 1.4512 107.2700 -118.0600 107.2600 1.0828 IC N CA CB CG 1.4512 111.0400 180.0000 115.6900 1.5557 IC CG CA *CB HB1 1.5557 115.6900 121.2200 108.1600 1.1145 IC CG CA *CB HB2 1.5557 115.6900 -123.6500 109.8100 1.1131 IC CA CB CG CD 1.5516 115.6900 180.0000 115.7300 1.5307 IC CD CB *CG HG1 1.5307 115.7300 117.3800 109.5000 1.1053 IC CD CB *CG HG2 1.5307 115.7300 -121.9600 111.0000 1.1081 IC CB CG CD OE1 1.5557 115.7300 180.0000 114.9900 1.2590 IC OE1 CG *CD OE2 1.2590 114.9900 -179.1000 120.0800 1.2532 IC N CA CB CE 1.4512 111.0400 180.0000 115.6900 1.5557 IC CE CA *CB HB1 1.5557 115.6900 121.2200 108.1600 1.1145 IC CE CA *CB HB2 1.5557 115.6900 -123.6500 109.8100 1.1131 IC CA CB CE CZ 1.5516 115.6900 180.0000 115.7300 1.5307 IC CZ CB *CE HE1 1.5307 115.7300 117.3800 109.5000 1.1053 IC CZ CB *CE HE2 1.5307 115.7300 -121.9600 111.0000 1.1081 IC CB CE CZ OH1 1.5557 115.7300 180.0000 114.9900 1.2590 IC OH1 CE *CZ OH2 1.2590 114.9900 -179.1000 120.0800 1.2532 IC HH2 OH2 CZ OH1 0.0000 0.0000 0.0000 0.0000 0.0000