# Name: builder_protein # Creating user name: tripos # Creation time: Wed Feb 21 02:51:09 2007 # Modifying user name: tripos # Modification time: Wed Feb 21 02:51:35 2007 @MOLECULE builder_protein 43 44 4 0 2 BIOPOLYMER GAST_HUCK @DICT BIOPOLYMER macromol @ATOM 1 CA -0.9563 0.0306 0.0086 C.3 1 PHE1 0.0744 BACKBONE|DICT|DIRECT 2 C 2.9829 -2.7659 0.0086 C.2 4 CXL3 0.0621 BACKBONE|DICT|DIRECT 3 CB -1.5032 -0.6987 -1.2340 C.3 1 PHE1 0.0416 DICT 4 C 0.5737 0.0306 0.0086 C.2 1 PHE1 0.2283 BACKBONE|DICT|DIRECT 5 O 1.1961 1.0915 0.0086 O.2 1 PHE1 -0.3906 BACKBONE|DICT|DIRECT 6 CG -3.0224 -0.7768 -1.3071 C.ar 1 PHE1 -0.0353 DICT 7 CD1 -3.7483 0.1455 -2.0964 C.ar 1 PHE1 -0.0600 DICT 8 CD2 -3.7164 -1.7705 -0.5788 C.ar 1 PHE1 -0.0600 DICT 9 CE1 -5.1563 0.0726 -2.1580 C.ar 1 PHE1 -0.0686 DICT 10 CE2 -5.1244 -1.8427 -0.6413 C.ar 1 PHE1 -0.0686 DICT 11 CZ -5.8444 -0.9216 -1.4310 C.ar 1 PHE1 -0.0687 DICT 12 N -1.4422 1.4180 0.0086 N.4 3 AMN0 0.2394 BACKBONE|DICT|DIRECT 13 HN2 -2.4620 1.4127 0.0315 H 3 AMN0 0.2017 DICT|ESSENTIAL 14 HA -1.3112 -0.5215 0.8788 H 1 PHE1 0.1122 BACKBONE|DICT|DIRECT 15 HB2 -1.1236 -0.2074 -2.1331 H 1 PHE1 0.0507 DICT 16 HB1 -1.1167 -1.7199 -1.2427 H 1 PHE1 0.0507 DICT 17 HD1 -3.2294 0.9112 -2.6553 H 1 PHE1 0.0557 DICT 18 HD2 -3.1716 -2.4787 0.0292 H 1 PHE1 0.0557 DICT 19 HE1 -5.7077 0.7788 -2.7621 H 1 PHE1 0.0599 DICT 20 HE2 -5.6514 -2.6039 -0.0840 H 1 PHE1 0.0599 DICT 21 HZ -6.9225 -0.9774 -1.4790 H 1 PHE1 0.0559 DICT 22 HN1 -1.1156 1.8842 -0.8377 H 3 AMN0 0.2017 DICT|ESSENTIAL 23 CA 2.6223 -1.3088 0.0086 C.3 2 PHE2 0.1040 BACKBONE|DICT|DIRECT 24 N 1.1758 -1.1721 0.0086 N.am 2 PHE2 -0.2648 BACKBONE|DICT|DIRECT 25 CB 3.1989 -0.6027 1.2512 C.3 2 PHE2 0.0159 DICT 26 O1 2.0967 -3.6187 0.0086 O.co2 4 CXL3 -0.5664 DICT 27 CG 2.9098 0.8907 1.3243 C.ar 2 PHE2 -0.0392 DICT 28 CD1 1.8401 1.3738 2.1136 C.ar 2 PHE2 -0.0602 DICT 29 CD2 3.7077 1.8031 0.5960 C.ar 2 PHE2 -0.0602 DICT 30 CE1 1.5727 2.7581 2.1752 C.ar 2 PHE2 -0.0686 DICT 31 CE2 3.4395 3.1872 0.6585 C.ar 2 PHE2 -0.0686 DICT 32 CZ 2.3724 3.6649 1.4482 C.ar 2 PHE2 -0.0687 DICT 33 O2 4.1646 -3.1070 0.0086 O.co2 4 CXL3 -0.5664 DICT 34 HN3 -1.0783 1.8973 0.8321 H 3 AMN0 0.2017 DICT|ESSENTIAL 35 H 0.6144 -2.0236 0.0086 H 2 PHE2 0.1878 BACKBONE|DICT|ESSENTIAL|DIRECT 36 HA 3.0730 -0.8317 -0.8616 H 2 PHE2 0.0749 BACKBONE|DICT|DIRECT 37 HB2 2.8132 -1.0892 2.1503 H 2 PHE2 0.0467 DICT 38 HB1 4.2831 -0.7326 1.2599 H 2 PHE2 0.0467 DICT 39 HD1 1.2215 0.6862 2.6725 H 2 PHE2 0.0557 DICT 40 HD2 4.5260 1.4444 -0.0120 H 2 PHE2 0.0557 DICT 41 HE1 0.7547 3.1237 2.7793 H 2 PHE2 0.0599 DICT 42 HE2 4.0519 3.8817 0.1012 H 2 PHE2 0.0599 DICT 43 HZ 2.1676 4.7248 1.4962 H 2 PHE2 0.0559 DICT @BOND 1 1 12 1 BACKBONE|DICT|INTERRES 2 1 3 1 DICT 3 1 4 1 BACKBONE|DICT 4 4 5 2 BACKBONE|DICT 5 4 24 am BACKBONE|DICT|INTERRES 6 3 6 1 DICT 7 6 7 ar DICT 8 6 8 ar DICT 9 8 10 ar DICT 10 10 11 ar DICT 11 11 9 ar DICT 12 9 7 ar DICT 13 23 2 1 BACKBONE|DICT|INTERRES 14 12 13 1 DICT 15 1 14 1 BACKBONE|DICT 16 3 15 1 DICT 17 3 16 1 DICT 18 7 17 1 DICT 19 8 18 1 DICT 20 9 19 1 DICT 21 10 20 1 DICT 22 11 21 1 DICT 23 12 22 1 DICT 24 23 24 1 BACKBONE|DICT 25 23 25 1 DICT 26 2 26 ar DICT 27 2 33 ar DICT 28 25 27 1 DICT 29 27 28 ar DICT 30 27 29 ar DICT 31 29 31 ar DICT 32 31 32 ar DICT 33 32 30 ar DICT 34 30 28 ar DICT 35 12 34 1 DICT 36 24 35 1 BACKBONE|DICT 37 23 36 1 BACKBONE|DICT 38 25 37 1 DICT 39 25 38 1 DICT 40 28 39 1 DICT 41 29 40 1 DICT 42 30 41 1 DICT 43 31 42 1 DICT 44 32 43 1 DICT @SUBSTRUCTURE 1 PHE1 1 RESIDUE 4 A PHE 2 ROOT|DICT 2 PHE2 23 RESIDUE 4 A PHE 2 DICT 3 AMN0 12 RESIDUE 4 A AMN 1 DICT|BLOCK 4 CXL3 2 RESIDUE 4 A CXL 1 DICT|BLOCK @SET CHAIN_HEAD STATIC SUBSTS AMSOM **** 1 1 CHAIN_TAIL STATIC SUBSTS AMSOM **** 1 23