HEADER PROTEIN 04-OCT-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-OCT-17 0 HETATM 1 C UNK 0 -1.921 1.024 0.000 0.00 0.00 C+0 HETATM 2 N UNK 0 -2.130 2.524 0.000 0.00 0.00 N+0 HETATM 3 N UNK 0 -2.130 5.694 0.000 0.00 0.00 N+1 HETATM 4 C UNK 0 -1.921 7.194 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.251 7.897 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.472 9.421 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.263 10.375 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.484 11.899 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -3.914 12.469 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 0.769 7.194 0.000 0.00 0.00 C+0 HETATM 11 N UNK 0 1.001 5.694 0.000 0.00 0.00 N+1 HETATM 12 C UNK 0 2.540 5.415 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 3.313 4.109 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.540 2.795 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 1.001 2.524 0.000 0.00 0.00 N+1 HETATM 16 C UNK 0 0.769 1.024 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 2.145 0.313 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.374 -1.210 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 3.807 -1.773 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 4.035 -3.296 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 5.468 -3.860 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 3.251 1.395 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 4.442 0.419 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 4.692 1.939 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.545 7.959 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.545 9.499 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.545 0.251 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.545 -1.289 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -3.645 2.795 0.000 0.00 0.00 C+0 HETATM 30 H UNK 0 -5.133 3.193 0.000 0.00 0.00 H+0 HETATM 31 C UNK 0 -3.645 5.462 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.133 5.063 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.585 -1.997 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.918 -2.767 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -7.252 -1.997 0.000 0.00 0.00 O+0 HETATM 36 N UNK 0 -5.918 -4.307 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 -7.252 -5.077 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.252 -6.617 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.585 -0.457 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.251 0.313 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.251 -1.227 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 -1.274 12.852 0.000 0.00 0.00 N+0 HETATM 43 N UNK 0 2.830 -4.256 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 3.954 -6.668 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 2.414 -9.335 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 2.414 -6.668 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.023 -6.150 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 1.644 -8.002 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 1.383 -5.524 0.000 0.00 0.00 N+1 HETATM 50 N UNK 0 0.137 -7.682 0.000 0.00 0.00 N+0 HETATM 51 C UNK 0 4.724 -8.002 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 6.264 -8.002 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 3.954 -9.335 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 4.724 -10.669 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -1.007 -8.712 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 -0.846 -10.244 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 -2.253 -10.870 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -2.573 -12.376 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 -4.038 -12.852 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 -2.513 -8.392 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -3.139 -6.985 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -3.283 -9.726 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -4.815 -9.887 0.000 0.00 0.00 O+0 HETATM 64 Co UNK 0 -0.601 4.202 0.000 0.00 0.00 Co-3 HETATM 65 O UNK 0 -1.520 9.456 0.000 0.00 0.00 O+0 HETATM 66 H UNK 0 -0.985 10.576 0.000 0.00 0.00 H+0 HETATM 67 C UNK 0 3.251 6.815 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 4.585 7.585 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 5.918 6.815 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 7.252 7.585 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 7.252 9.124 0.000 0.00 0.00 O+0 HETATM 72 N UNK 0 8.586 6.814 0.000 0.00 0.00 N+0 HETATM 73 C UNK 0 -4.356 1.395 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -5.690 0.625 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -7.024 1.395 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 -7.024 2.935 0.000 0.00 0.00 O+0 HETATM 77 N UNK 0 -8.357 0.625 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 -4.356 6.815 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -5.690 6.045 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -7.024 6.815 0.000 0.00 0.00 C+0 HETATM 81 N UNK 0 -8.358 6.045 0.000 0.00 0.00 N+0 HETATM 82 O UNK 0 -7.024 8.355 0.000 0.00 0.00 O+0 HETATM 83 C UNK 0 -5.445 7.904 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 2.145 7.897 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 3.479 8.667 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 2.145 9.437 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 3.479 10.207 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 3.479 11.747 0.000 0.00 0.00 O+0 HETATM 89 N UNK 0 4.813 9.437 0.000 0.00 0.00 N+0 HETATM 90 P UNK 0 -5.904 -8.798 0.000 0.00 0.00 P+0 HETATM 91 O UNK 0 -5.904 -7.258 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 -6.674 -10.131 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 -8.586 -7.387 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 -7.391 -9.196 0.000 0.00 0.00 O-1 CONECT 1 27 2 40 CONECT 2 1 29 64 CONECT 3 31 4 64 CONECT 4 3 5 25 CONECT 5 4 6 78 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 42 9 CONECT 9 8 CONECT 10 25 11 84 CONECT 11 10 12 64 CONECT 12 11 13 67 CONECT 13 12 14 CONECT 14 13 15 22 CONECT 15 14 16 64 CONECT 16 15 17 27 CONECT 17 16 18 22 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 43 21 CONECT 21 20 CONECT 22 14 17 23 24 CONECT 23 22 CONECT 24 22 CONECT 25 4 10 26 CONECT 26 25 CONECT 27 1 28 16 CONECT 28 27 CONECT 29 2 73 31 30 CONECT 30 29 CONECT 31 29 3 78 32 CONECT 32 31 CONECT 33 39 34 CONECT 34 33 36 35 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 CONECT 38 37 91 93 CONECT 39 33 40 CONECT 40 1 73 39 41 CONECT 41 40 CONECT 42 8 CONECT 43 20 CONECT 44 46 51 CONECT 45 48 53 CONECT 46 44 49 48 CONECT 47 50 49 CONECT 48 45 46 50 CONECT 49 46 47 64 CONECT 50 47 48 55 CONECT 51 44 53 52 CONECT 52 51 CONECT 53 45 51 54 CONECT 54 53 CONECT 55 50 60 56 CONECT 56 55 57 CONECT 57 56 62 58 CONECT 58 57 59 CONECT 59 58 CONECT 60 55 62 61 CONECT 61 60 CONECT 62 57 60 63 CONECT 63 62 90 CONECT 64 2 11 3 15 CONECT 64 65 49 CONECT 65 64 66 CONECT 66 65 CONECT 67 12 84 68 CONECT 68 67 69 CONECT 69 68 70 CONECT 70 69 72 71 CONECT 71 70 CONECT 72 70 CONECT 73 29 40 74 CONECT 74 73 75 CONECT 75 74 77 76 CONECT 76 75 CONECT 77 75 CONECT 78 31 5 79 83 CONECT 79 78 80 CONECT 80 79 82 81 CONECT 81 80 CONECT 82 80 CONECT 83 78 CONECT 84 10 67 85 86 CONECT 85 84 CONECT 86 84 87 CONECT 87 86 89 88 CONECT 88 87 CONECT 89 87 CONECT 90 63 91 92 94 CONECT 91 90 38 CONECT 92 90 CONECT 93 38 CONECT 94 90 MASTER 0 0 0 0 0 0 0 0 94 0 210 0 END