HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -6.185 2.535 -2.847 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.924 1.845 -3.266 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.916 1.571 -2.212 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.739 0.891 -2.913 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.375 0.736 -1.034 0.00 0.00 C+0 HETATM 6 N UNK 0 -5.417 1.407 -0.320 0.00 0.00 N+0 HETATM 7 C UNK 0 -5.308 2.692 0.213 0.00 0.00 C+0 HETATM 8 O UNK 0 -4.257 3.353 0.085 0.00 0.00 O+0 HETATM 9 C UNK 0 -6.459 3.317 0.964 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.543 4.769 0.711 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.765 5.304 0.055 0.00 0.00 C+0 HETATM 12 C UNK 0 -8.668 4.246 -0.525 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.832 3.132 0.459 0.00 0.00 C+0 HETATM 14 N UNK 0 -7.602 2.506 0.812 0.00 0.00 N+0 HETATM 15 C UNK 0 -7.765 1.644 1.975 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.263 0.359 -0.162 0.00 0.00 C+0 HETATM 17 O UNK 0 -2.882 1.245 0.685 0.00 0.00 O+0 HETATM 18 N UNK 0 -2.536 -0.866 -0.131 0.00 0.00 N+0 HETATM 19 C UNK 0 -2.937 -2.011 -0.858 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.700 -2.991 -0.339 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.913 -3.008 0.251 0.00 0.00 C+0 HETATM 22 O UNK 0 -5.479 -1.863 0.378 0.00 0.00 O+0 HETATM 23 C UNK 0 -5.598 -4.200 0.736 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.084 -5.377 0.601 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.830 -6.578 1.122 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.797 -5.633 -0.072 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.276 -0.853 0.671 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.113 -1.171 -0.167 0.00 0.00 C+0 HETATM 29 C UNK 0 1.235 -1.161 0.417 0.00 0.00 C+0 HETATM 30 O UNK 0 1.563 -1.977 1.475 0.00 0.00 O+0 HETATM 31 C UNK 0 2.262 -1.547 2.597 0.00 0.00 C+0 HETATM 32 C UNK 0 2.590 -2.458 3.713 0.00 0.00 C+0 HETATM 33 O UNK 0 2.634 -0.353 2.685 0.00 0.00 O+0 HETATM 34 C UNK 0 2.215 -1.550 -0.690 0.00 0.00 C+0 HETATM 35 N UNK 0 3.487 -1.232 -0.726 0.00 0.00 N+0 HETATM 36 C UNK 0 4.232 -1.648 -1.725 0.00 0.00 C+0 HETATM 37 C UNK 0 5.666 -1.268 -1.816 0.00 0.00 C+0 HETATM 38 O UNK 0 6.381 -1.793 -2.686 0.00 0.00 O+0 HETATM 39 N UNK 0 6.248 -0.319 -0.945 0.00 0.00 N+0 HETATM 40 C UNK 0 7.624 0.119 -0.954 0.00 0.00 C+0 HETATM 41 C UNK 0 7.925 1.379 -1.646 0.00 0.00 C+0 HETATM 42 C UNK 0 9.395 1.670 -1.593 0.00 0.00 C+0 HETATM 43 C UNK 0 10.244 1.072 -2.525 0.00 0.00 C+0 HETATM 44 C UNK 0 11.592 1.341 -2.519 0.00 0.00 C+0 HETATM 45 C UNK 0 12.166 2.204 -1.602 0.00 0.00 C+0 HETATM 46 O UNK 0 13.514 2.508 -1.554 0.00 0.00 O+0 HETATM 47 C UNK 0 11.341 2.804 -0.674 0.00 0.00 C+0 HETATM 48 C UNK 0 9.981 2.524 -0.693 0.00 0.00 C+0 HETATM 49 C UNK 0 8.353 -0.183 0.290 0.00 0.00 C+0 HETATM 50 C UNK 0 7.829 0.294 1.580 0.00 0.00 C+0 HETATM 51 C UNK 0 7.647 1.743 1.812 0.00 0.00 C+0 HETATM 52 C UNK 0 8.775 -0.218 2.647 0.00 0.00 C+0 HETATM 53 O UNK 0 9.366 0.599 3.380 0.00 0.00 O+0 HETATM 54 O UNK 0 8.940 -1.575 2.759 0.00 0.00 O+0 HETATM 55 C UNK 0 3.615 -2.405 -2.684 0.00 0.00 C+0 HETATM 56 S UNK 0 2.009 -2.473 -2.098 0.00 0.00 S+0 HETATM 57 C UNK 0 -1.444 -1.677 1.915 0.00 0.00 C+0 HETATM 58 C UNK 0 -2.581 -1.138 2.756 0.00 0.00 C+0 HETATM 59 C UNK 0 -1.465 -3.139 1.777 0.00 0.00 C+0 HETATM 60 H UNK 0 -6.795 2.821 -3.768 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.795 1.966 -2.150 0.00 0.00 H+0 HETATM 62 H UNK 0 -5.945 3.526 -2.385 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.469 2.424 -4.116 0.00 0.00 H+0 HETATM 64 H UNK 0 -5.279 0.876 -3.763 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.501 2.565 -1.903 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.186 1.599 -3.551 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.102 0.505 -2.072 0.00 0.00 H+0 HETATM 68 H UNK 0 -3.101 0.020 -3.474 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.882 -0.137 -1.550 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.362 0.920 -0.140 0.00 0.00 H+0 HETATM 71 H UNK 0 -6.099 3.213 2.053 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.424 5.322 1.681 0.00 0.00 H+0 HETATM 73 H UNK 0 -5.605 5.052 0.134 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.400 5.885 0.790 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.520 6.071 -0.726 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.694 4.667 -0.718 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.299 3.895 -1.513 0.00 0.00 H+0 HETATM 78 H UNK 0 -9.496 2.356 -0.008 0.00 0.00 H+0 HETATM 79 H UNK 0 -9.284 3.562 1.376 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.553 0.881 1.798 0.00 0.00 H+0 HETATM 81 H UNK 0 -8.043 2.299 2.844 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.803 1.155 2.197 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.059 -2.492 -1.366 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.508 -1.603 -1.770 0.00 0.00 H+0 HETATM 85 H UNK 0 -6.555 -4.074 1.213 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.062 -7.302 1.477 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.478 -6.320 1.973 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.380 -7.092 0.294 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.865 -5.151 -1.094 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.642 -6.728 -0.248 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.977 -5.172 0.470 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.187 0.185 1.037 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.208 -2.102 -0.776 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.098 -0.364 -0.981 0.00 0.00 H+0 HETATM 95 H UNK 0 1.585 -0.115 0.699 0.00 0.00 H+0 HETATM 96 H UNK 0 1.865 -2.249 4.527 0.00 0.00 H+0 HETATM 97 H UNK 0 2.503 -3.483 3.317 0.00 0.00 H+0 HETATM 98 H UNK 0 3.646 -2.266 4.036 0.00 0.00 H+0 HETATM 99 H UNK 0 5.573 0.090 -0.224 0.00 0.00 H+0 HETATM 100 H UNK 0 8.091 -0.675 -1.707 0.00 0.00 H+0 HETATM 101 H UNK 0 7.408 2.293 -1.317 0.00 0.00 H+0 HETATM 102 H UNK 0 7.744 1.236 -2.774 0.00 0.00 H+0 HETATM 103 H UNK 0 9.830 0.390 -3.257 0.00 0.00 H+0 HETATM 104 H UNK 0 12.285 0.896 -3.230 0.00 0.00 H+0 HETATM 105 H UNK 0 14.097 1.906 -0.959 0.00 0.00 H+0 HETATM 106 H UNK 0 11.703 3.497 0.085 0.00 0.00 H+0 HETATM 107 H UNK 0 9.361 3.020 0.023 0.00 0.00 H+0 HETATM 108 H UNK 0 9.415 0.215 0.205 0.00 0.00 H+0 HETATM 109 H UNK 0 8.543 -1.297 0.412 0.00 0.00 H+0 HETATM 110 H UNK 0 6.887 -0.293 1.809 0.00 0.00 H+0 HETATM 111 H UNK 0 6.979 1.940 2.719 0.00 0.00 H+0 HETATM 112 H UNK 0 8.609 2.242 2.137 0.00 0.00 H+0 HETATM 113 H UNK 0 7.268 2.344 0.973 0.00 0.00 H+0 HETATM 114 H UNK 0 8.652 -2.083 3.583 0.00 0.00 H+0 HETATM 115 H UNK 0 4.071 -2.844 -3.593 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.534 -1.434 2.547 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.507 -0.990 2.151 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.768 -1.813 3.642 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.352 -0.152 3.208 0.00 0.00 H+0 HETATM 120 H UNK 0 -2.473 -3.515 2.110 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.240 -3.558 0.802 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.764 -3.670 2.491 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 63 64 CONECT 3 2 4 5 65 CONECT 4 3 66 67 68 CONECT 5 3 6 16 69 CONECT 6 5 7 70 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 14 71 CONECT 10 9 11 72 73 CONECT 11 10 12 74 75 CONECT 12 11 13 76 77 CONECT 13 12 14 78 79 CONECT 14 13 15 9 CONECT 15 14 80 81 82 CONECT 16 5 17 18 CONECT 17 16 CONECT 18 16 19 27 CONECT 19 18 20 83 84 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 85 CONECT 24 23 25 26 CONECT 25 24 86 87 88 CONECT 26 24 89 90 91 CONECT 27 18 28 57 92 CONECT 28 27 29 93 94 CONECT 29 28 30 34 95 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 96 97 98 CONECT 33 31 CONECT 34 29 35 56 CONECT 35 34 36 CONECT 36 35 37 55 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 99 CONECT 40 39 41 49 100 CONECT 41 40 42 101 102 CONECT 42 41 43 48 CONECT 43 42 44 103 CONECT 44 43 45 104 CONECT 45 44 46 47 CONECT 46 45 105 CONECT 47 45 48 106 CONECT 48 47 42 107 CONECT 49 40 50 108 109 CONECT 50 49 51 52 110 CONECT 51 50 111 112 113 CONECT 52 50 53 54 CONECT 53 52 CONECT 54 52 114 CONECT 55 36 56 115 CONECT 56 55 34 CONECT 57 27 58 59 116 CONECT 58 57 117 118 119 CONECT 59 57 120 121 122 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 2 CONECT 65 3 CONECT 66 4 CONECT 67 4 CONECT 68 4 CONECT 69 5 CONECT 70 6 CONECT 71 9 CONECT 72 10 CONECT 73 10 CONECT 74 11 CONECT 75 11 CONECT 76 12 CONECT 77 12 CONECT 78 13 CONECT 79 13 CONECT 80 15 CONECT 81 15 CONECT 82 15 CONECT 83 19 CONECT 84 19 CONECT 85 23 CONECT 86 25 CONECT 87 25 CONECT 88 25 CONECT 89 26 CONECT 90 26 CONECT 91 26 CONECT 92 27 CONECT 93 28 CONECT 94 28 CONECT 95 29 CONECT 96 32 CONECT 97 32 CONECT 98 32 CONECT 99 39 CONECT 100 40 CONECT 101 41 CONECT 102 41 CONECT 103 43 CONECT 104 44 CONECT 105 46 CONECT 106 47 CONECT 107 48 CONECT 108 49 CONECT 109 49 CONECT 110 50 CONECT 111 51 CONECT 112 51 CONECT 113 51 CONECT 114 54 CONECT 115 55 CONECT 116 57 CONECT 117 58 CONECT 118 58 CONECT 119 58 CONECT 120 59 CONECT 121 59 CONECT 122 59 MASTER 0 0 0 0 0 0 0 0 122 0 248 0 END