HEADER PROTEIN 30-JUN-13 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 30-JUN-13 0 HETATM 1 C UNK 0 -7.078 4.694 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -7.078 3.154 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.744 2.384 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.411 3.154 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.411 4.694 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.744 5.464 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -5.744 0.844 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -4.411 0.074 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.411 -1.466 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.744 -2.236 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.744 -3.776 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.411 -4.546 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.077 -3.776 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -3.077 -2.236 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 -1.743 -4.546 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -0.409 -3.776 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 0.924 -4.546 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 2.258 -3.776 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 2.258 -2.236 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 0.924 -1.466 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.409 -2.236 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 3.592 -1.466 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 4.925 -2.236 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 4.925 -3.776 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 6.259 -4.546 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 7.593 -3.776 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 7.593 -2.236 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 6.259 -1.466 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 8.926 -1.466 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 6.259 0.074 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 6.259 -6.086 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -3.077 5.464 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -8.412 5.464 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -9.745 4.694 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -11.079 5.464 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -12.413 4.694 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 -8.412 7.004 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 -7.078 -1.466 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -7.078 -4.546 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -4.411 -6.086 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 0.924 -6.086 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.409 -6.856 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 3.592 -4.546 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 7.593 -6.856 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 7.593 -8.396 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 8.926 -6.086 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 10.260 -6.856 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 8.926 -9.166 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 6.259 -9.166 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 4.925 -8.396 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 10.260 -8.396 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 8.926 -4.546 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 -1.743 -1.466 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -9.745 3.154 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 10.260 -2.236 0.000 0.00 0.00 O+0 HETATM 56 C CHO 1 11.591 -6.086 0.000 0.00 0.00 C+0 HETATM 57 N NHAc 2 -5.744 7.004 0.000 0.00 0.00 N+0 HETATM 58 N NHAc 3 0.924 0.074 0.000 0.00 0.00 N+0 HETATM 59 C CO2H 4 -7.079 0.844 0.000 0.00 0.00 C+0 HETATM 60 O CHO 1 12.925 -6.855 0.000 0.00 0.00 O+0 HETATM 61 O NHAc 2 -3.077 7.004 0.000 0.00 0.00 O+0 HETATM 62 C NHAc 2 -4.410 7.774 0.000 0.00 0.00 C+0 HETATM 63 C NHAc 2 -4.410 9.314 0.000 0.00 0.00 C+0 HETATM 64 O NHAc 3 -1.743 0.074 0.000 0.00 0.00 O+0 HETATM 65 C NHAc 3 -0.410 0.844 0.000 0.00 0.00 C+0 HETATM 66 C NHAc 3 -0.410 2.384 0.000 0.00 0.00 C+0 HETATM 67 O CO2H 4 -8.599 0.601 0.000 0.00 0.00 O+0 HETATM 68 O CO2H 4 -6.108 -0.351 0.000 0.00 0.00 O+0 CONECT 1 2 6 33 CONECT 2 1 3 CONECT 3 2 4 7 59 CONECT 4 3 5 CONECT 5 4 6 32 CONECT 6 5 1 57 CONECT 7 3 8 CONECT 8 7 9 CONECT 9 8 10 14 CONECT 10 9 11 38 CONECT 11 10 12 39 CONECT 12 11 13 40 CONECT 13 12 14 15 CONECT 14 13 9 CONECT 15 13 16 CONECT 16 15 17 21 CONECT 17 16 18 41 CONECT 18 17 19 CONECT 19 18 20 22 CONECT 20 19 21 58 CONECT 21 20 16 53 CONECT 22 19 23 CONECT 23 22 24 28 CONECT 24 23 25 43 CONECT 25 24 26 31 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 23 30 CONECT 29 27 55 CONECT 30 28 CONECT 31 25 44 CONECT 32 5 CONECT 33 1 34 37 CONECT 34 33 35 54 CONECT 35 34 36 CONECT 36 35 CONECT 37 33 CONECT 38 10 CONECT 39 11 CONECT 40 12 CONECT 41 17 42 CONECT 42 41 CONECT 43 24 CONECT 44 31 45 46 CONECT 45 44 48 49 CONECT 46 44 47 52 CONECT 47 46 51 56 CONECT 48 45 CONECT 49 45 50 CONECT 50 49 CONECT 51 47 CONECT 52 46 CONECT 53 21 CONECT 54 34 CONECT 55 29 CONECT 56 47 60 CONECT 57 6 62 CONECT 58 20 65 CONECT 59 3 67 68 CONECT 60 56 CONECT 61 62 CONECT 62 57 61 63 CONECT 63 62 CONECT 64 65 CONECT 65 58 64 66 CONECT 66 65 CONECT 67 59 CONECT 68 59 MASTER 0 0 0 0 0 0 0 0 68 0 142 0 END