HEADER PROTEIN 17-OCT-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-OCT-17 0 HETATM 1 C UNK 0 -4.134 -3.805 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.443 -6.192 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.134 -6.962 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.748 -6.192 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 -2.748 -4.575 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 -19.842 -3.805 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -19.842 -2.265 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -21.151 -1.495 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -22.537 -2.265 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -22.537 -3.805 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -21.151 -4.575 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -18.533 -4.575 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -17.147 -3.805 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -17.147 -2.265 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -18.533 -1.495 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -16.069 -1.495 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -14.683 -2.265 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 -12.065 -2.265 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 -13.374 -1.495 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -13.374 0.045 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -10.756 -1.495 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -9.370 -2.265 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 -8.061 -1.495 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -6.752 -2.265 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.366 -1.495 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 -4.057 -2.265 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 -2.825 -1.495 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.439 -2.265 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 -0.130 -1.495 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 1.178 -2.265 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 2.565 -1.495 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -10.756 0.045 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -9.370 -3.805 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -6.752 -3.805 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.825 0.045 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -5.366 0.045 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 -1.439 -3.805 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 -0.130 0.045 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 2.565 0.045 0.000 0.00 0.00 O+0 HETATM 40 N UNK 0 3.873 -2.265 0.000 0.00 0.00 N+0 HETATM 41 N UNK 0 7.877 -1.495 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 5.182 -1.495 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 6.491 -2.265 0.000 0.00 0.00 C+0 HETATM 44 N UNK 0 7.877 0.045 0.000 0.00 0.00 N+0 HETATM 45 C UNK 0 6.491 0.815 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 5.182 0.045 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 6.491 2.355 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 6.491 -3.805 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 9.263 -2.265 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 10.573 -1.495 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 11.882 -2.265 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 13.267 -1.495 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 14.577 -2.265 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 9.341 -3.805 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 10.573 0.045 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 1.178 -3.805 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 14.577 -3.805 0.000 0.00 0.00 O+0 HETATM 58 N UNK 0 -14.683 -3.805 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 -13.374 -4.575 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -12.065 -3.805 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -13.374 -6.115 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 17.194 -2.265 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 17.964 0.122 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 16.425 0.122 0.000 0.00 0.00 C+0 HETATM 65 N UNK 0 15.962 -1.341 0.000 0.00 0.00 N+0 HETATM 66 C UNK 0 18.426 -1.341 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 17.194 -3.728 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 15.875 -4.528 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 -9.447 0.815 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.061 0.122 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.752 0.969 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -6.752 2.432 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -8.138 3.202 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -9.447 2.355 0.000 0.00 0.00 C+0 HETATM 75 Cl UNK 0 -5.443 3.279 0.000 0.00 0.00 Cl+0 HETATM 76 C UNK 0 -5.443 -4.575 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 -1.516 0.815 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 2.487 -4.575 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 3.873 -3.805 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 2.419 -6.122 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 3.820 -6.909 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 5.151 -6.177 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 5.197 -4.592 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 6.469 -6.974 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 10.711 -4.508 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 12.004 -3.672 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 10.711 -6.048 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 18.536 -4.484 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 21.204 -4.484 0.000 0.00 0.00 C+0 HETATM 90 N UNK 0 22.537 -3.714 0.000 0.00 0.00 N+0 HETATM 91 C UNK 0 19.870 -3.714 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 19.870 -2.174 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 21.204 -6.024 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 13.286 0.044 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 14.620 0.814 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 14.620 2.354 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 15.954 3.124 0.000 0.00 0.00 C+0 HETATM 98 N UNK 0 15.954 4.664 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 17.287 5.434 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 17.287 6.974 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 18.621 4.664 0.000 0.00 0.00 C+0 CONECT 1 5 76 CONECT 2 3 76 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 1 CONECT 6 7 11 12 CONECT 7 6 8 15 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 6 CONECT 12 6 13 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 7 CONECT 16 14 17 CONECT 17 16 19 58 CONECT 18 19 21 CONECT 19 18 17 20 CONECT 20 19 CONECT 21 18 22 32 CONECT 22 21 23 33 CONECT 23 22 24 CONECT 24 23 25 34 CONECT 25 24 26 36 CONECT 26 25 27 CONECT 27 26 28 35 CONECT 28 27 29 37 CONECT 29 28 30 38 CONECT 30 29 31 56 CONECT 31 30 39 40 CONECT 32 21 69 CONECT 33 22 CONECT 34 24 76 CONECT 35 27 77 CONECT 36 25 CONECT 37 28 CONECT 38 29 CONECT 39 31 CONECT 40 31 42 CONECT 41 43 49 CONECT 42 43 46 40 CONECT 43 42 41 48 CONECT 44 45 CONECT 45 44 46 47 CONECT 46 45 42 CONECT 47 45 CONECT 48 43 CONECT 49 50 41 54 CONECT 50 49 51 55 CONECT 51 50 52 CONECT 52 51 53 94 CONECT 53 52 57 65 CONECT 54 49 85 CONECT 55 50 CONECT 56 30 78 CONECT 57 53 CONECT 58 59 17 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 CONECT 62 65 66 67 CONECT 63 64 66 CONECT 64 63 65 CONECT 65 64 62 53 CONECT 66 62 63 CONECT 67 68 62 88 CONECT 68 67 CONECT 69 32 74 70 CONECT 70 71 69 CONECT 71 70 72 CONECT 72 71 73 75 CONECT 73 72 74 CONECT 74 73 69 CONECT 75 72 CONECT 76 34 2 1 CONECT 77 35 CONECT 78 56 80 79 CONECT 79 83 78 CONECT 80 81 78 CONECT 81 80 82 CONECT 82 81 83 84 CONECT 83 82 79 CONECT 84 82 CONECT 85 54 86 87 CONECT 86 85 CONECT 87 85 CONECT 88 67 91 CONECT 89 90 91 93 CONECT 90 89 CONECT 91 89 88 92 CONECT 92 91 CONECT 93 89 CONECT 94 52 95 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 MASTER 0 0 0 0 0 0 0 0 101 0 212 0 END