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 -9.426 1.042 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -9.426 -0.498 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -8.092 -1.268 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.758 -0.498 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -6.758 1.042 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -8.092 1.812 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -5.425 -1.268 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -4.091 -0.498 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.757 -1.268 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.424 -0.498 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -1.424 1.042 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -2.757 1.812 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -4.091 1.042 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.090 -1.268 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 1.244 -0.498 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 2.577 -1.268 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 3.911 -0.498 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 3.911 1.042 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.577 1.812 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 1.244 1.042 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 5.245 1.812 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 6.579 1.042 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 6.579 -0.498 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 7.912 -1.268 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 9.246 -0.498 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 9.246 1.042 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 7.912 1.812 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 7.912 3.352 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 10.580 1.812 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 11.913 1.042 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 7.912 -2.808 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 9.246 -3.578 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 9.246 -5.118 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 10.580 -2.808 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 7.912 -5.888 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 6.579 -5.118 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 11.913 -3.578 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 2.577 -2.808 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 1.244 -3.578 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 5.245 -1.268 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -0.090 1.812 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.757 3.352 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -5.425 1.812 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -8.092 3.352 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -9.426 4.122 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -9.426 5.662 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -10.759 3.352 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -12.093 4.122 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 -10.759 -1.268 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 10.580 -1.268 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 11.913 -5.118 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 10.580 -5.888 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 -4.091 4.122 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -6.758 4.122 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -2.757 -2.808 0.000 0.00 0.00 O+0 HETATM 56 N NHAc 1 -10.759 1.812 0.000 0.00 0.00 N+0 HETATM 57 O NHAc 1 -12.093 -0.498 0.000 0.00 0.00 O+0 HETATM 58 C NHAc 1 -12.093 1.042 0.000 0.00 0.00 C+0 HETATM 59 C NHAc 1 -13.427 1.812 0.000 0.00 0.00 C+0 HETATM 60 C CHO 2 13.245 -2.806 0.000 0.00 0.00 C+0 HETATM 61 O CHO 2 14.580 -3.573 0.000 0.00 0.00 O+0 HETATM 62 C CO2H 3 -6.760 -2.038 0.000 0.00 0.00 C+0 HETATM 63 O CO2H 3 -5.427 -2.810 0.000 0.00 0.00 O+0 HETATM 64 O CO2H 3 -8.094 -2.807 0.000 0.00 0.00 O+0 HETATM 65 N NHAc 4 2.577 3.352 0.000 0.00 0.00 N+0 HETATM 66 O NHAc 4 -0.090 3.352 0.000 0.00 0.00 O+0 HETATM 67 C NHAc 4 1.244 4.122 0.000 0.00 0.00 C+0 HETATM 68 C NHAc 4 1.244 5.662 0.000 0.00 0.00 C+0 CONECT 1 2 6 56 CONECT 2 1 3 49 CONECT 3 2 4 CONECT 4 3 5 7 62 CONECT 5 4 6 CONECT 6 5 1 44 CONECT 7 4 8 CONECT 8 7 9 13 CONECT 9 8 10 55 CONECT 10 9 11 14 CONECT 11 10 12 CONECT 12 11 13 42 CONECT 13 12 8 43 CONECT 14 10 15 CONECT 15 14 16 20 CONECT 16 15 17 38 CONECT 17 16 18 CONECT 18 17 19 21 CONECT 19 18 20 65 CONECT 20 19 15 41 CONECT 21 18 22 CONECT 22 21 23 27 CONECT 23 22 24 40 CONECT 24 23 25 31 CONECT 25 24 26 CONECT 26 25 27 29 CONECT 27 26 22 28 CONECT 28 27 CONECT 29 26 30 CONECT 30 29 CONECT 31 24 32 CONECT 32 31 33 34 CONECT 33 32 35 52 CONECT 34 32 37 50 CONECT 35 33 36 CONECT 36 35 CONECT 37 34 51 60 CONECT 38 16 39 CONECT 39 38 CONECT 40 23 CONECT 41 20 CONECT 42 12 53 CONECT 43 13 CONECT 44 6 45 54 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 CONECT 48 47 CONECT 49 2 CONECT 50 34 CONECT 51 37 CONECT 52 33 CONECT 53 42 CONECT 54 44 CONECT 55 9 CONECT 56 1 58 CONECT 57 58 CONECT 58 56 57 59 CONECT 59 58 CONECT 60 37 61 CONECT 61 60 CONECT 62 4 63 64 CONECT 63 62 CONECT 64 62 CONECT 65 19 67 CONECT 66 67 CONECT 67 65 66 68 CONECT 68 67 MASTER 0 0 0 0 0 0 0 0 68 0 142 0 END