HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 0.643 4.905 0.971 0.00 0.00 C+0 HETATM 2 O UNK 0 1.128 3.595 0.702 0.00 0.00 O+0 HETATM 3 C UNK 0 0.818 3.064 -0.524 0.00 0.00 C+0 HETATM 4 C UNK 0 0.037 3.665 -1.509 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.206 3.002 -2.728 0.00 0.00 C+0 HETATM 6 C UNK 0 0.348 1.726 -2.969 0.00 0.00 C+0 HETATM 7 C UNK 0 1.133 1.131 -1.970 0.00 0.00 C+0 HETATM 8 C UNK 0 1.356 1.799 -0.773 0.00 0.00 C+0 HETATM 9 O UNK 0 2.137 1.190 0.172 0.00 0.00 O+0 HETATM 10 C UNK 0 0.101 0.998 -4.294 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.975 -0.120 -4.112 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.483 -1.399 -3.464 0.00 0.00 C+0 HETATM 13 C UNK 0 0.554 -2.147 -4.046 0.00 0.00 C+0 HETATM 14 C UNK 0 0.972 -3.353 -3.476 0.00 0.00 C+0 HETATM 15 C UNK 0 0.352 -3.822 -2.325 0.00 0.00 C+0 HETATM 16 O UNK 0 0.749 -5.036 -1.841 0.00 0.00 O+0 HETATM 17 C UNK 0 -0.666 -3.081 -1.724 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.335 -3.572 -0.628 0.00 0.00 O+0 HETATM 19 C UNK 0 -0.716 -3.362 0.589 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.555 -2.069 1.092 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.050 -1.859 2.384 0.00 0.00 C+0 HETATM 22 C UNK 0 0.325 -2.977 3.152 0.00 0.00 C+0 HETATM 23 C UNK 0 0.179 -4.276 2.630 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.358 -4.478 1.357 0.00 0.00 C+0 HETATM 25 O UNK 0 -0.535 -5.698 0.755 0.00 0.00 O+0 HETATM 26 C UNK 0 -0.285 -6.852 1.548 0.00 0.00 C+0 HETATM 27 C UNK 0 0.966 -2.796 4.505 0.00 0.00 C+0 HETATM 28 C UNK 0 0.820 -1.373 5.058 0.00 0.00 C+0 HETATM 29 N UNK 0 1.015 -0.308 4.064 0.00 0.00 N+0 HETATM 30 C UNK 0 2.396 -0.258 3.580 0.00 0.00 C+0 HETATM 31 C UNK 0 0.047 -0.439 2.939 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.344 0.098 3.400 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.296 0.441 2.271 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.406 -0.372 2.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.248 -0.082 0.925 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.986 1.022 0.124 0.00 0.00 C+0 HETATM 37 O UNK 0 -4.826 1.263 -0.924 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.899 1.849 0.384 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.058 1.559 1.459 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.102 -1.887 -2.303 0.00 0.00 C+0 HETATM 41 N UNK 0 -0.201 1.982 -5.369 0.00 0.00 N+0 HETATM 42 C UNK 0 -0.361 1.385 -6.689 0.00 0.00 C+0 HETATM 43 C UNK 0 -1.335 2.834 -5.010 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.981 3.718 -3.809 0.00 0.00 C+0 HETATM 45 H UNK 0 1.051 5.631 0.259 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.451 4.927 0.976 0.00 0.00 H+0 HETATM 47 H UNK 0 0.987 5.189 1.970 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.383 4.655 -1.369 0.00 0.00 H+0 HETATM 49 H UNK 0 1.584 0.154 -2.120 0.00 0.00 H+0 HETATM 50 H UNK 0 2.191 1.836 0.903 0.00 0.00 H+0 HETATM 51 H UNK 0 1.061 0.545 -4.576 0.00 0.00 H+0 HETATM 52 H UNK 0 -1.382 -0.433 -5.080 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.828 0.276 -3.545 0.00 0.00 H+0 HETATM 54 H UNK 0 1.034 -1.809 -4.961 0.00 0.00 H+0 HETATM 55 H UNK 0 1.763 -3.934 -3.940 0.00 0.00 H+0 HETATM 56 H UNK 0 0.175 -5.236 -1.074 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.850 -1.217 0.484 0.00 0.00 H+0 HETATM 58 H UNK 0 0.503 -5.112 3.241 0.00 0.00 H+0 HETATM 59 H UNK 0 0.775 -6.925 1.811 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.918 -6.865 2.442 0.00 0.00 H+0 HETATM 61 H UNK 0 -0.539 -7.731 0.947 0.00 0.00 H+0 HETATM 62 H UNK 0 0.523 -3.499 5.220 0.00 0.00 H+0 HETATM 63 H UNK 0 2.031 -3.043 4.413 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.177 -1.265 5.503 0.00 0.00 H+0 HETATM 65 H UNK 0 1.514 -1.236 5.896 0.00 0.00 H+0 HETATM 66 H UNK 0 3.093 -0.164 4.421 0.00 0.00 H+0 HETATM 67 H UNK 0 2.686 -1.135 2.993 0.00 0.00 H+0 HETATM 68 H UNK 0 2.546 0.631 2.959 0.00 0.00 H+0 HETATM 69 H UNK 0 0.400 0.214 2.129 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.831 -0.619 4.074 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.208 1.016 3.988 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.610 -1.250 2.609 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.099 -0.722 0.710 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.524 2.067 -1.377 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.685 2.711 -0.238 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.202 2.201 1.655 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.928 -1.346 -1.847 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.341 2.167 -7.456 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.302 0.838 -6.802 0.00 0.00 H+0 HETATM 80 H UNK 0 0.469 0.706 -6.915 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.229 2.236 -4.792 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.602 3.496 -5.844 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.905 4.131 -3.387 0.00 0.00 H+0 HETATM 84 H UNK 0 -0.366 4.558 -4.157 0.00 0.00 H+0 CONECT 1 2 45 46 47 CONECT 2 3 1 CONECT 3 4 8 2 CONECT 4 5 3 48 CONECT 5 44 6 4 CONECT 6 10 5 7 CONECT 7 8 6 49 CONECT 8 3 7 9 CONECT 9 8 50 CONECT 10 11 41 6 51 CONECT 11 12 10 52 53 CONECT 12 13 40 11 CONECT 13 14 12 54 CONECT 14 15 13 55 CONECT 15 14 16 17 CONECT 16 15 56 CONECT 17 40 18 15 CONECT 18 19 17 CONECT 19 20 18 24 CONECT 20 19 21 57 CONECT 21 20 22 31 CONECT 22 23 21 27 CONECT 23 22 24 58 CONECT 24 23 25 19 CONECT 25 24 26 CONECT 26 25 59 60 61 CONECT 27 22 28 62 63 CONECT 28 29 27 64 65 CONECT 29 31 28 30 CONECT 30 29 66 67 68 CONECT 31 21 29 32 69 CONECT 32 33 31 70 71 CONECT 33 32 39 34 CONECT 34 35 33 72 CONECT 35 34 36 73 CONECT 36 38 37 35 CONECT 37 36 74 CONECT 38 36 39 75 CONECT 39 38 33 76 CONECT 40 12 17 77 CONECT 41 10 43 42 CONECT 42 41 78 79 80 CONECT 43 41 44 81 82 CONECT 44 43 5 83 84 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 4 CONECT 49 7 CONECT 50 9 CONECT 51 10 CONECT 52 11 CONECT 53 11 CONECT 54 13 CONECT 55 14 CONECT 56 16 CONECT 57 20 CONECT 58 23 CONECT 59 26 CONECT 60 26 CONECT 61 26 CONECT 62 27 CONECT 63 27 CONECT 64 28 CONECT 65 28 CONECT 66 30 CONECT 67 30 CONECT 68 30 CONECT 69 31 CONECT 70 32 CONECT 71 32 CONECT 72 34 CONECT 73 35 CONECT 74 37 CONECT 75 38 CONECT 76 39 CONECT 77 40 CONECT 78 42 CONECT 79 42 CONECT 80 42 CONECT 81 43 CONECT 82 43 CONECT 83 44 CONECT 84 44 MASTER 0 0 0 0 0 0 0 0 84 0 178 0 END