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 -0.375 8.425 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.375 6.885 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 0.959 6.115 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 2.293 6.885 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.293 8.425 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 0.959 9.195 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 0.959 4.575 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 2.293 3.805 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.293 2.265 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 3.626 1.495 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 4.960 2.265 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 4.960 3.805 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 3.626 4.575 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 3.780 6.269 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 6.294 4.575 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 7.627 3.805 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 3.626 9.195 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 3.580 -0.060 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 2.246 -0.830 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 0.912 -0.060 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.421 -0.830 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.421 -2.370 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 0.912 -3.140 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 2.246 -2.370 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 3.580 -3.140 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 4.913 -2.370 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 6.247 -3.140 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 7.581 -2.370 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 7.581 -0.830 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 6.247 -0.060 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 4.913 -0.830 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 8.914 -0.060 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 8.914 -3.140 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 6.247 -4.680 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 1.036 2.728 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.708 7.655 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.042 8.425 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.376 7.655 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -5.709 8.425 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -3.042 9.965 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -1.708 6.115 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 0.912 -4.680 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 2.246 -5.450 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -1.755 -0.060 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -3.089 -0.830 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.423 -0.060 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.756 -0.830 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -5.756 -2.370 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -4.423 -3.140 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.089 -2.370 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 -1.755 -3.140 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 -7.090 -0.060 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 -4.417 -4.655 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -4.423 1.480 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -8.424 -0.830 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 -5.727 -5.464 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -5.682 -7.003 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -7.083 -4.733 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.394 -5.542 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 -6.993 -7.812 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 -4.327 -7.734 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 -3.016 -6.925 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 -7.129 -3.194 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -8.348 -7.082 0.000 0.00 0.00 O+0 HETATM 65 C Me 1 6.246 1.483 0.000 0.00 0.00 C+0 HETATM 66 N NHAc 2 0.912 1.480 0.000 0.00 0.00 N+0 HETATM 67 O NHAc 2 -1.755 1.480 0.000 0.00 0.00 O+0 HETATM 68 C NHAc 2 -0.421 2.250 0.000 0.00 0.00 C+0 HETATM 69 C NHAc 2 -0.422 3.790 0.000 0.00 0.00 C+0 HETATM 70 C CO2H 3 2.385 4.802 0.000 0.00 0.00 C+0 HETATM 71 O CO2H 3 3.313 5.811 0.000 0.00 0.00 O+0 HETATM 72 O CO2H 3 2.985 3.164 0.000 0.00 0.00 O+0 HETATM 73 N NHAc 4 0.959 10.735 0.000 0.00 0.00 N+0 HETATM 74 O NHAc 4 -1.709 10.735 0.000 0.00 0.00 O+0 HETATM 75 C NHAc 4 -0.375 11.505 0.000 0.00 0.00 C+0 HETATM 76 C NHAc 4 -0.375 13.045 0.000 0.00 0.00 C+0 HETATM 77 C CHO 5 -9.749 -4.812 0.000 0.00 0.00 C+0 HETATM 78 O CHO 5 -9.795 -3.273 0.000 0.00 0.00 O+0 CONECT 1 2 6 36 CONECT 2 1 3 CONECT 3 2 4 7 70 CONECT 4 3 5 CONECT 5 4 6 17 CONECT 6 5 1 73 CONECT 7 3 8 CONECT 8 7 9 13 CONECT 9 8 10 35 CONECT 10 9 11 18 CONECT 11 10 12 CONECT 12 11 13 15 CONECT 13 12 8 14 CONECT 14 13 CONECT 15 12 16 CONECT 16 15 CONECT 17 5 CONECT 18 10 19 CONECT 19 18 20 24 CONECT 20 19 21 66 CONECT 21 20 22 44 CONECT 22 21 23 CONECT 23 22 24 42 CONECT 24 23 19 25 CONECT 25 24 26 CONECT 26 25 27 31 CONECT 27 26 28 34 CONECT 28 27 29 33 CONECT 29 28 30 32 CONECT 30 29 31 65 CONECT 31 30 26 CONECT 32 29 CONECT 33 28 CONECT 34 27 CONECT 35 9 CONECT 36 1 37 41 CONECT 37 36 38 40 CONECT 38 37 39 CONECT 39 38 CONECT 40 37 CONECT 41 36 CONECT 42 23 43 CONECT 43 42 CONECT 44 21 45 CONECT 45 44 46 50 CONECT 46 45 47 54 CONECT 47 46 48 52 CONECT 48 47 49 CONECT 49 48 50 53 CONECT 50 49 45 51 CONECT 51 50 CONECT 52 47 55 CONECT 53 49 56 CONECT 54 46 CONECT 55 52 CONECT 56 53 57 58 CONECT 57 56 60 61 CONECT 58 56 59 63 CONECT 59 58 64 77 CONECT 60 57 CONECT 61 57 62 CONECT 62 61 CONECT 63 58 CONECT 64 59 CONECT 65 30 CONECT 66 20 68 CONECT 67 68 CONECT 68 66 67 69 CONECT 69 68 CONECT 70 3 71 72 CONECT 71 70 CONECT 72 70 CONECT 73 6 75 CONECT 74 75 CONECT 75 73 74 76 CONECT 76 75 CONECT 77 59 78 CONECT 78 77 MASTER 0 0 0 0 0 0 0 0 78 0 164 0 END