@MOLECULE 4fun.pdb 47 48 6 PROTEIN NO_CHARGES @ATOM 0 N 49.668 24.248 10.436 N.4 1 HIS1 1 CA 50.197 25.578 10.784 C.3 1 HIS1 2 C 49.169 26.701 10.917 C.2 1 HIS1 3 O 48.241 26.524 11.749 O.2 1 HIS1 4 CB 51.312 26.048 9.843 C.3 1 HIS1 5 CG 50.958 26.068 8.34 C.ar 1 HIS1 6 ND1 49.636 26.144 7.86 N.pl3 1 HIS1 7 CD2 51.797 26.043 7.286 C.ar 1 HIS1 8 CE1 49.691 26.152 6.454 C.ar 1 HIS1 9 NE2 51.046 26.09 6.098 N.pl3 1 HIS1 10 N 49.788 27.85 10.784 N.pl3 2 SER2 11 CA 49.138 29.147 10.62 C.3 2 SER2 12 C 47.713 29.006 10.11 C.2 2 SER2 13 O 46.74 29.251 10.864 O.2 2 SER2 14 CB 49.875 29.93 9.569 C.3 2 SER2 15 OG 49.145 31.057 9.176 O.3 2 SER2 16 N 47.62 28.367 8.973 N.pl3 3 GLN3 17 CA 46.287 28.193 8.308 C.3 3 GLN3 18 C 45.406 27.172 8.963 C.2 3 GLN3 19 O 44.198 27.508 9.014 O.2 3 GLN3 20 CB 46.489 27.963 6.806 C.3 3 GLN3 21 CG 45.138 27.8 6.111 C.3 3 GLN3 22 CD 45.304 27.952 4.603 C.2 3 GLN3 23 OE1 46.432 28.202 4.112 O.2 3 GLN3 24 NE2 44.233 27.647 3.897 N.pl3 3 GLN3 25 N 46.014 26.394 9.871 N.pl3 4 GLY4 26 CA 45.422 25.287 10.68 C.3 4 GLY4 27 C 43.892 25.215 10.719 C.2 4 GLY4 28 O 43.287 26.155 11.288 O.2 4 GLY4 29 N 43.406 23.993 10.767 N.pl3 5 THR5 30 CA 42.004 23.642 10.443 C.3 5 THR5 31 C 40.788 24.146 11.252 C.2 5 THR5 32 O 39.804 23.384 11.41 O.2 5 THR5 33 CB 41.934 22.202 9.889 C.3 5 THR5 34 OG1 41.08 21.317 10.609 O.3 5 THR5 35 CG2 43.317 21.556 9.849 C.3 5 THR5 36 N 40.628 25.463 11.441 N.pl3 6 PHE6 37 CA 39.381 25.95 12.104 C.3 6 PHE6 38 C 38.156 25.684 11.232 C.2 6 PHE6 39 O 37.231 25.002 11.719 O.2 6 PHE6 40 CB 39.407 27.425 12.584 C.3 6 PHE6 41 CG 38.187 27.923 13.43 C.ar 6 PHE6 42 CD1 36.889 27.518 13.163 C.ar 6 PHE6 43 CD2 38.386 28.862 14.419 C.ar 6 PHE6 44 CE1 35.813 27.967 13.909 C.ar 6 PHE6 45 CE2 37.306 29.328 15.177 C.ar 6 PHE6 46 CZ 36.019 28.871 14.928 C.ar 6 PHE6 @BOND 0 2 3 SINGLE 1 2 1 SINGLE 2 1 0 SINGLE 3 1 4 SINGLE 4 4 5 SINGLE 5 7 9 SINGLE 6 7 5 SINGLE 7 8 9 SINGLE 8 8 6 SINGLE 9 5 6 SINGLE 10 12 11 SINGLE 11 12 13 SINGLE 12 11 14 SINGLE 13 11 10 SINGLE 14 14 15 SINGLE 15 2 10 SINGLE 16 18 17 SINGLE 17 18 19 SINGLE 18 17 20 SINGLE 19 17 16 SINGLE 20 20 21 SINGLE 21 22 21 SINGLE 22 22 23 SINGLE 23 22 24 SINGLE 24 12 16 SINGLE 25 27 26 SINGLE 26 27 28 SINGLE 27 26 25 SINGLE 28 18 25 SINGLE 29 31 30 SINGLE 30 31 32 SINGLE 31 30 33 SINGLE 32 30 29 SINGLE 33 33 35 SINGLE 34 33 34 SINGLE 35 27 29 SINGLE 36 38 39 SINGLE 37 38 37 SINGLE 38 37 36 SINGLE 39 37 40 SINGLE 40 40 41 SINGLE 41 42 44 SINGLE 42 42 41 SINGLE 43 43 45 SINGLE 44 43 41 SINGLE 45 44 46 SINGLE 46 45 46 SINGLE 47 31 36 SINGLE @SUBSTRUCTURE 1 HIS1 1 RESIDUE 2 SER2 11 RESIDUE 3 GLN3 17 RESIDUE 4 GLY4 26 RESIDUE 5 THR5 30 RESIDUE 6 PHE6 37 RESIDUE