HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.844 4.739 -5.664 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.248 4.040 -4.358 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.804 5.100 -3.397 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.370 4.461 -2.141 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.387 3.544 -1.379 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.296 2.732 -0.442 0.00 0.00 C+0 HETATM 7 O UNK 0 -4.762 1.622 -0.647 0.00 0.00 O+0 HETATM 8 O UNK 0 -4.665 3.400 0.671 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.364 4.372 -0.575 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.459 3.494 0.292 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.759 2.310 -0.441 0.00 0.00 C+0 HETATM 12 C UNK 0 0.510 2.893 -1.139 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.620 1.702 -1.571 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.517 0.391 -1.881 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.595 -0.603 -1.238 0.00 0.00 C+0 HETATM 16 C UNK 0 0.344 -0.018 -0.156 0.00 0.00 C+0 HETATM 17 C UNK 0 1.131 -1.108 0.699 0.00 0.00 C+0 HETATM 18 C UNK 0 0.182 -2.084 1.440 0.00 0.00 C+0 HETATM 19 C UNK 0 2.003 -1.955 -0.277 0.00 0.00 C+0 HETATM 20 C UNK 0 3.055 -2.819 0.413 0.00 0.00 C+0 HETATM 21 C UNK 0 3.971 -1.999 1.321 0.00 0.00 C+0 HETATM 22 O UNK 0 4.893 -2.900 1.932 0.00 0.00 O+0 HETATM 23 S UNK 0 6.455 -2.865 1.489 0.00 0.00 S+0 HETATM 24 O UNK 0 7.103 -4.026 2.051 0.00 0.00 O+0 HETATM 25 O UNK 0 6.966 -1.526 1.703 0.00 0.00 O+0 HETATM 26 O UNK 0 6.395 -3.133 -0.095 0.00 0.00 O+0 HETATM 27 C UNK 0 3.192 -1.187 2.407 0.00 0.00 C+0 HETATM 28 C UNK 0 2.620 -2.110 3.505 0.00 0.00 C+0 HETATM 29 C UNK 0 4.220 -0.265 3.141 0.00 0.00 C+0 HETATM 30 O UNK 0 4.833 0.621 2.218 0.00 0.00 O+0 HETATM 31 S UNK 0 6.013 1.604 2.749 0.00 0.00 S+0 HETATM 32 O UNK 0 6.547 2.300 1.601 0.00 0.00 O+0 HETATM 33 O UNK 0 5.528 2.309 3.914 0.00 0.00 O+0 HETATM 34 O UNK 0 7.145 0.566 3.233 0.00 0.00 O+0 HETATM 35 C UNK 0 2.094 -0.325 1.669 0.00 0.00 C+0 HETATM 36 C UNK 0 1.289 0.622 2.582 0.00 0.00 C+0 HETATM 37 C UNK 0 0.558 1.688 1.762 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.368 1.139 0.638 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.654 0.605 1.349 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.644 2.568 -2.340 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.101 3.239 -3.671 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.524 2.178 -4.627 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.054 4.163 -3.376 0.00 0.00 O+0 HETATM 44 H UNK 0 -3.687 5.310 -6.070 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.016 5.439 -5.513 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.554 4.019 -6.434 0.00 0.00 H+0 HETATM 47 H UNK 0 -4.058 3.340 -4.606 0.00 0.00 H+0 HETATM 48 H UNK 0 -3.031 5.832 -3.134 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.606 5.664 -3.890 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.260 3.884 -2.432 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.742 5.252 -1.476 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.260 2.772 1.131 0.00 0.00 H+0 HETATM 53 H UNK 0 -2.880 5.084 0.084 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.751 4.995 -1.233 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.071 3.143 1.123 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.702 4.136 0.762 0.00 0.00 H+0 HETATM 57 H UNK 0 0.334 3.901 -1.522 0.00 0.00 H+0 HETATM 58 H UNK 0 0.843 2.280 -1.985 0.00 0.00 H+0 HETATM 59 H UNK 0 1.365 2.999 -0.472 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.155 -0.027 -2.659 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.229 -1.396 -0.835 0.00 0.00 H+0 HETATM 62 H UNK 0 0.008 -1.061 -2.031 0.00 0.00 H+0 HETATM 63 H UNK 0 1.146 0.477 -0.723 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.069 -1.757 2.450 0.00 0.00 H+0 HETATM 65 H UNK 0 0.608 -3.085 1.545 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.761 -2.245 0.914 0.00 0.00 H+0 HETATM 67 H UNK 0 2.524 -1.289 -0.977 0.00 0.00 H+0 HETATM 68 H UNK 0 1.366 -2.606 -0.889 0.00 0.00 H+0 HETATM 69 H UNK 0 3.661 -3.317 -0.356 0.00 0.00 H+0 HETATM 70 H UNK 0 2.598 -3.643 0.971 0.00 0.00 H+0 HETATM 71 H UNK 0 4.513 -1.295 0.675 0.00 0.00 H+0 HETATM 72 H UNK 0 6.496 -4.098 -0.233 0.00 0.00 H+0 HETATM 73 H UNK 0 2.042 -2.943 3.106 0.00 0.00 H+0 HETATM 74 H UNK 0 1.984 -1.557 4.202 0.00 0.00 H+0 HETATM 75 H UNK 0 3.424 -2.561 4.100 0.00 0.00 H+0 HETATM 76 H UNK 0 3.740 0.310 3.939 0.00 0.00 H+0 HETATM 77 H UNK 0 4.995 -0.875 3.620 0.00 0.00 H+0 HETATM 78 H UNK 0 7.292 -0.094 2.509 0.00 0.00 H+0 HETATM 79 H UNK 0 2.675 0.341 1.010 0.00 0.00 H+0 HETATM 80 H UNK 0 1.953 1.158 3.267 0.00 0.00 H+0 HETATM 81 H UNK 0 0.583 0.082 3.217 0.00 0.00 H+0 HETATM 82 H UNK 0 1.333 2.341 1.355 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.017 2.321 2.450 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.442 -0.221 2.026 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.420 0.256 0.652 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.123 1.362 1.985 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.416 1.870 -2.705 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.660 1.671 -4.185 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.134 2.627 -5.546 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.275 1.431 -4.900 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.563 4.353 -4.193 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 3 41 1 47 CONECT 3 4 2 48 49 CONECT 4 5 3 50 51 CONECT 5 4 6 9 40 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 52 CONECT 9 10 5 53 54 CONECT 10 11 9 55 56 CONECT 11 38 12 13 10 CONECT 12 11 57 58 59 CONECT 13 14 11 40 CONECT 14 13 15 60 CONECT 15 16 14 61 62 CONECT 16 15 17 38 63 CONECT 17 19 35 18 16 CONECT 18 17 64 65 66 CONECT 19 17 20 67 68 CONECT 20 21 19 69 70 CONECT 21 22 20 27 71 CONECT 22 21 23 CONECT 23 22 26 24 25 CONECT 24 23 CONECT 25 23 CONECT 26 23 72 CONECT 27 35 28 29 21 CONECT 28 27 73 74 75 CONECT 29 27 30 76 77 CONECT 30 29 31 CONECT 31 30 32 33 34 CONECT 32 31 CONECT 33 31 CONECT 34 31 78 CONECT 35 27 17 36 79 CONECT 36 35 37 80 81 CONECT 37 36 38 82 83 CONECT 38 39 11 37 16 CONECT 39 38 84 85 86 CONECT 40 41 13 5 87 CONECT 41 40 2 42 43 CONECT 42 41 88 89 90 CONECT 43 41 91 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 3 CONECT 50 4 CONECT 51 4 CONECT 52 8 CONECT 53 9 CONECT 54 9 CONECT 55 10 CONECT 56 10 CONECT 57 12 CONECT 58 12 CONECT 59 12 CONECT 60 14 CONECT 61 15 CONECT 62 15 CONECT 63 16 CONECT 64 18 CONECT 65 18 CONECT 66 18 CONECT 67 19 CONECT 68 19 CONECT 69 20 CONECT 70 20 CONECT 71 21 CONECT 72 26 CONECT 73 28 CONECT 74 28 CONECT 75 28 CONECT 76 29 CONECT 77 29 CONECT 78 34 CONECT 79 35 CONECT 80 36 CONECT 81 36 CONECT 82 37 CONECT 83 37 CONECT 84 39 CONECT 85 39 CONECT 86 39 CONECT 87 40 CONECT 88 42 CONECT 89 42 CONECT 90 42 CONECT 91 43 MASTER 0 0 0 0 0 0 0 0 91 0 190 0 END