# Created by: Discovery Studio # Creation time: Mon Jul 30 12:37:45 -0400 2007 @MOLECULE Arginyl 26 25 1 0 0 PROTEIN USER_CHARGES @ATOM 1 N 2.3564 -0.4527 3.3596 N.pl3 1 ARG1 -0.3217 2 CA 2.2452 0.0145 1.9853 C.3 1 ARG1 0.0606 3 C 2.4341 1.5284 1.8514 C.2 1 ARG1 0.1362 4 O 2.9166 1.9272 0.8487 O.2 1 ARG1 -0.3016 5 CB 0.7889 -0.3409 1.5002 C.3 1 ARG1 -0.0295 6 CG 0.6089 0.0326 0.0124 C.3 1 ARG1 -0.0338 7 CD -0.8381 -0.2643 -0.4200 C.3 1 ARG1 0.0175 8 NE -0.9939 -0.0029 -1.8405 N.pl3 1 ARG1 -0.0250 9 CZ -2.1310 -0.1292 -2.4281 C.2 1 ARG1 0.1634 10 NH1 -3.3095 -0.5223 -1.7183 N.pl3 1 ARG1 -0.0384 11 NH2 -2.2328 0.1270 -3.8212 N.pl3 1 ARG1 -0.0384 12 HA 2.9753 -0.5023 1.3624 H 1 ARG1 0.0542 13 HB1 0.6205 -1.4106 1.6244 H 1 ARG1 0.0288 14 HB2 0.0661 0.2132 2.0991 H 1 ARG1 0.0288 15 HG1 0.8181 1.0937 -0.1235 H 1 ARG1 0.0285 16 HG2 1.2973 -0.5547 -0.5953 H 1 ARG1 0.0285 17 HD1 -1.0680 -1.3104 -0.2180 H 1 ARG1 0.0491 18 HD2 -1.5209 0.3733 0.1415 H 1 ARG1 0.0491 19 HE -0.1421 0.3021 -2.4118 H 1 ARG1 0.1630 20 HH11 -3.2603 -0.7206 -0.6680 H 1 ARG1 0.1592 21 HH12 -4.2400 -0.6179 -2.2378 H 1 ARG1 0.1592 22 HH21 -1.3667 0.4231 -4.3754 H 1 ARG1 0.1592 23 HH22 -3.1756 0.0240 -4.3167 H 1 ARG1 0.1592 24 HT1 2.5514 0.2445 4.1475 H 1 ARG1 0.1191 25 HT2 2.2431 -1.4932 3.5817 H 1 ARG1 0.1191 26 HC 2.1359 2.2101 2.6479 H 1 ARG1 0.1060 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 am 10 9 11 am 11 2 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 10 20 1 20 10 21 1 21 11 22 1 22 11 23 1 23 1 24 1 24 1 25 1 25 3 26 1 @SUBSTRUCTURE 1 ARG1 0 RESIDUE 1 A ARG @MOL_PROPERTY PdbId SciTegic.value.StringValue DKI @ATOM_PROPERTY Formal Charge SciTegic.value.StringValue 1 0 2 0 3 0 4 0 5 0 6 0 7 0 8 0 9 0 10 +1/2 11 +1/2 12 0 13 0 14 0 15 0 16 0 17 0 18 0 19 0 20 0 21 0 22 0 23 0 24 0 25 0 26 0