1 1 2 3EBG fragment set created by MTK++/MCPB HISTIDINE DELTAH HD1 INT 1 CORR OMIT DU BEG 0.00000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 N N M 3 2 1 1.335 116.600 180.000 -0.41570 5 H H E 4 3 2 1.010 119.800 0.000 0.27190 6 CA CT M 4 3 2 1.449 121.900 180.000 0.01880 7 HA H1 E 6 4 3 1.090 109.500 300.000 0.08810 8 CB CT 3 6 4 3 1.525 111.100 60.000 0.35269 9 HB2 HC E 8 6 4 1.090 109.500 300.000 -0.04616 10 HB3 HC E 8 6 4 1.090 109.500 60.000 -0.04616 11 CG CC S 8 6 4 1.510 115.000 180.000 -0.15733 12 ND1 NA B 11 8 6 1.390 122.000 180.000 -0.13009 13 HD1 H E 12 11 8 1.010 126.000 0.000 0.33802 14 CE1 CR B 12 11 8 1.320 108.000 180.000 0.02830 15 HE1 H5 E 14 12 11 1.090 120.000 180.000 0.22923 16 NE2 NT S 14 12 11 1.310 109.000 0.000 -0.38783 17 CD2 CV S 16 14 12 1.360 110.000 0.000 -0.00838 18 HD2 H4 E 17 16 14 1.090 120.000 180.000 0.14577 19 C C M 6 4 3 1.522 111.100 180.000 0.59730 20 O O E 19 6 4 1.229 120.500 0.000 -0.56790 LOOP CG CD2 IMPROPER -M CA N H CA +M C O CG CE1 ND1 HD1 CG NE2 CD2 HD2 ND1 NE2 CE1 HE1 ND1 CD2 CG CB DONE GLUTAMIC ACID GL1 INT 1 CORR OMIT DU BEG 0.00000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 N N M 3 2 1 1.335 116.600 180.000 -0.51630 5 H H E 4 3 2 1.010 119.800 0.000 0.29360 6 CA CT M 4 3 2 1.449 121.900 180.000 0.03970 7 HA H1 E 6 4 3 1.090 109.500 300.000 0.11050 8 CB CT 3 6 4 3 1.525 111.100 60.000 0.69531 9 HB2 HC E 8 6 4 1.090 109.500 300.000 -0.19616 10 HB3 HC E 8 6 4 1.090 109.500 60.000 -0.19616 11 CG CT 3 8 6 4 1.510 109.470 180.000 -0.04709 12 HG2 HC E 11 8 6 1.090 109.500 300.000 -0.01986 13 HG3 HC E 11 8 6 1.090 109.500 60.000 -0.01986 14 CD C B 11 8 6 1.527 109.470 180.000 0.75427 15 OE1 OB E 14 11 8 1.260 117.200 90.000 -0.83498 16 OE2 OB E 14 11 8 1.260 117.200 270.000 -0.66053 17 C C M 6 4 3 1.522 111.100 180.000 0.53660 18 O O E 17 6 4 1.229 120.500 0.000 -0.58190 IMPROPER -M CA N H CA +M C O CG OE1 CD OE2 DONE HISTIDINE DELTAH HD2 INT 1 CORR OMIT DU BEG 0.00000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 N N M 3 2 1 1.335 116.600 180.000 -0.41570 5 H H E 4 3 2 1.010 119.800 0.000 0.27190 6 CA CT M 4 3 2 1.449 121.900 180.000 0.01880 7 HA H1 E 6 4 3 1.090 109.500 300.000 0.08810 8 CB CT 3 6 4 3 1.525 111.100 60.000 0.13698 9 HB2 HC E 8 6 4 1.090 109.500 300.000 0.00818 10 HB3 HC E 8 6 4 1.090 109.500 60.000 0.00818 11 CG CC S 8 6 4 1.510 115.000 180.000 0.02393 12 ND1 NA B 11 8 6 1.390 122.000 180.000 -0.07565 13 HD1 H E 12 11 8 1.010 126.000 0.000 0.28359 14 CE1 CR B 12 11 8 1.320 108.000 180.000 0.04704 15 HE1 H5 E 14 12 11 1.090 120.000 180.000 0.15606 16 NE2 NT S 14 12 11 1.310 109.000 0.000 -0.35877 17 CD2 CV S 16 14 12 1.360 110.000 0.000 -0.10957 18 HD2 H4 E 17 16 14 1.090 120.000 180.000 0.10508 19 C C M 6 4 3 1.522 111.100 180.000 0.59730 20 O O E 19 6 4 1.229 120.500 0.000 -0.56790 LOOP CG CD2 IMPROPER -M CA N H CA +M C O CG CE1 ND1 HD1 CG NE2 CD2 HD2 ND1 NE2 CE1 HE1 ND1 CD2 CG CB DONE Zinc(II) Ion ZN1 INT 1 CORR OMIT DU BEG 0.00000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 ZN ZN M 3 2 1 1.000 90.000 180.000 1.11471 DONE STOP