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 -4.187 6.860 -0.773 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.878 6.788 -0.029 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.980 5.970 1.218 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.401 4.556 0.972 0.00 0.00 C+0 HETATM 5 O UNK 0 -3.725 3.883 2.026 0.00 0.00 O+0 HETATM 6 O UNK 0 -3.490 3.912 -0.129 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.646 3.090 -1.131 0.00 0.00 C+0 HETATM 8 N UNK 0 -2.838 1.841 -1.050 0.00 0.00 N+0 HETATM 9 C UNK 0 -3.416 0.659 -0.590 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.644 -0.381 -0.416 0.00 0.00 O+0 HETATM 11 C UNK 0 -4.819 0.360 -0.272 0.00 0.00 C+0 HETATM 12 N UNK 0 -4.895 -1.142 0.002 0.00 0.00 N+0 HETATM 13 C UNK 0 -5.587 -1.978 -0.898 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.139 -1.551 -1.947 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.623 -3.435 -0.516 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.960 -4.284 -1.577 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.036 -5.723 -1.171 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.757 -5.976 0.281 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.052 -4.723 0.802 0.00 0.00 C+0 HETATM 20 N UNK 0 -5.033 -3.678 0.767 0.00 0.00 N+0 HETATM 21 C UNK 0 -6.006 -3.976 1.809 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.418 1.031 0.901 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.760 0.676 2.212 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.903 0.989 0.908 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.605 -0.313 0.905 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.429 1.994 -1.459 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.452 2.054 -0.370 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.180 0.984 0.583 0.00 0.00 C+0 HETATM 29 O UNK 0 0.809 1.602 1.510 0.00 0.00 O+0 HETATM 30 C UNK 0 0.687 1.516 2.860 0.00 0.00 C+0 HETATM 31 C UNK 0 1.662 2.116 3.788 0.00 0.00 C+0 HETATM 32 O UNK 0 -0.313 0.897 3.356 0.00 0.00 O+0 HETATM 33 C UNK 0 0.764 -0.068 -0.038 0.00 0.00 C+0 HETATM 34 N UNK 0 1.903 0.248 -0.664 0.00 0.00 N+0 HETATM 35 C UNK 0 2.641 -0.727 -1.087 0.00 0.00 C+0 HETATM 36 C UNK 0 3.971 -0.322 -1.843 0.00 0.00 C+0 HETATM 37 O UNK 0 3.636 0.273 -2.848 0.00 0.00 O+0 HETATM 38 N UNK 0 5.094 -0.691 -1.218 0.00 0.00 N+0 HETATM 39 C UNK 0 6.300 -1.074 -0.568 0.00 0.00 C+0 HETATM 40 C UNK 0 6.684 -0.073 0.414 0.00 0.00 C+0 HETATM 41 C UNK 0 7.809 -0.059 1.289 0.00 0.00 C+0 HETATM 42 C UNK 0 7.859 -0.961 2.355 0.00 0.00 C+0 HETATM 43 C UNK 0 8.822 -0.905 3.291 0.00 0.00 C+0 HETATM 44 C UNK 0 9.813 0.073 3.218 0.00 0.00 C+0 HETATM 45 O UNK 0 10.764 0.097 4.187 0.00 0.00 O+0 HETATM 46 C UNK 0 9.765 0.953 2.177 0.00 0.00 C+0 HETATM 47 C UNK 0 8.783 0.895 1.224 0.00 0.00 C+0 HETATM 48 C UNK 0 7.127 -1.869 -1.460 0.00 0.00 C+0 HETATM 49 C UNK 0 8.462 -2.393 -1.171 0.00 0.00 C+0 HETATM 50 C UNK 0 9.495 -1.283 -1.050 0.00 0.00 C+0 HETATM 51 C UNK 0 8.967 -3.422 -2.079 0.00 0.00 C+0 HETATM 52 O UNK 0 8.392 -3.826 -3.075 0.00 0.00 O+0 HETATM 53 O UNK 0 10.224 -3.991 -1.769 0.00 0.00 O+0 HETATM 54 C UNK 0 2.282 -1.988 -0.903 0.00 0.00 C+0 HETATM 55 S UNK 0 0.765 -1.749 -0.065 0.00 0.00 S+0 HETATM 56 C UNK 0 -1.095 1.368 -2.752 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.285 -0.065 -3.002 0.00 0.00 C+0 HETATM 58 C UNK 0 -1.911 2.095 -3.851 0.00 0.00 C+0 HETATM 59 H UNK 0 -4.170 6.242 -1.700 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.439 7.901 -1.131 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.049 6.531 -0.157 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.645 7.846 0.307 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.081 6.432 -0.705 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.005 5.982 1.801 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.723 6.456 1.882 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.267 3.559 -2.091 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.708 2.810 -1.325 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.448 0.512 -1.148 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.443 -1.519 0.835 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.692 -3.727 -0.511 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.894 -3.930 -1.658 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.529 -4.186 -2.520 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.244 -6.265 -1.739 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.032 -6.146 -1.479 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.718 -6.064 0.874 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.126 -6.847 0.490 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.783 -4.926 1.841 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.141 -4.526 0.188 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.603 -4.784 2.494 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.945 -4.325 1.393 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.076 -3.071 2.452 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.204 2.152 0.784 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.486 -0.020 2.725 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.801 0.164 2.115 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.648 1.531 2.888 0.00 0.00 H+0 HETATM 86 H UNK 0 -7.307 1.658 1.756 0.00 0.00 H+0 HETATM 87 H UNK 0 -7.297 1.566 0.002 0.00 0.00 H+0 HETATM 88 H UNK 0 -8.544 -0.206 1.548 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.958 -0.633 -0.124 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.088 -1.180 1.343 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.430 3.141 -1.799 0.00 0.00 H+0 HETATM 92 H UNK 0 0.577 2.399 -0.745 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.723 2.984 0.263 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.869 0.547 1.231 0.00 0.00 H+0 HETATM 95 H UNK 0 1.940 1.386 4.606 0.00 0.00 H+0 HETATM 96 H UNK 0 2.639 2.324 3.251 0.00 0.00 H+0 HETATM 97 H UNK 0 1.280 3.019 4.289 0.00 0.00 H+0 HETATM 98 H UNK 0 5.855 -0.074 -2.168 0.00 0.00 H+0 HETATM 99 H UNK 0 5.880 -1.963 0.169 0.00 0.00 H+0 HETATM 100 H UNK 0 5.718 0.164 1.074 0.00 0.00 H+0 HETATM 101 H UNK 0 6.703 0.936 -0.155 0.00 0.00 H+0 HETATM 102 H UNK 0 7.103 -1.728 2.406 0.00 0.00 H+0 HETATM 103 H UNK 0 8.795 -1.634 4.098 0.00 0.00 H+0 HETATM 104 H UNK 0 11.535 0.721 4.285 0.00 0.00 H+0 HETATM 105 H UNK 0 10.542 1.700 2.128 0.00 0.00 H+0 HETATM 106 H UNK 0 8.835 1.649 0.427 0.00 0.00 H+0 HETATM 107 H UNK 0 7.153 -1.338 -2.485 0.00 0.00 H+0 HETATM 108 H UNK 0 6.470 -2.788 -1.748 0.00 0.00 H+0 HETATM 109 H UNK 0 8.391 -2.925 -0.153 0.00 0.00 H+0 HETATM 110 H UNK 0 9.062 -0.311 -1.328 0.00 0.00 H+0 HETATM 111 H UNK 0 9.985 -1.234 -0.067 0.00 0.00 H+0 HETATM 112 H UNK 0 10.261 -1.481 -1.878 0.00 0.00 H+0 HETATM 113 H UNK 0 11.056 -3.812 -2.270 0.00 0.00 H+0 HETATM 114 H UNK 0 2.739 -2.958 -1.174 0.00 0.00 H+0 HETATM 115 H UNK 0 -0.027 1.706 -2.994 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.985 -0.219 -4.108 0.00 0.00 H+0 HETATM 117 H UNK 0 -0.821 -0.802 -2.382 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.379 -0.334 -3.081 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.638 3.165 -3.805 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.572 1.718 -4.845 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.993 1.897 -3.753 0.00 0.00 H+0 CONECT 1 2 59 60 61 CONECT 2 1 3 62 63 CONECT 3 2 4 64 65 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 CONECT 7 6 8 66 67 CONECT 8 7 9 26 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 22 68 CONECT 12 11 13 69 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 20 70 CONECT 16 15 17 71 72 CONECT 17 16 18 73 74 CONECT 18 17 19 75 76 CONECT 19 18 20 77 78 CONECT 20 19 21 15 CONECT 21 20 79 80 81 CONECT 22 11 23 24 82 CONECT 23 22 83 84 85 CONECT 24 22 25 86 87 CONECT 25 24 88 89 90 CONECT 26 8 27 56 91 CONECT 27 26 28 92 93 CONECT 28 27 29 33 94 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 95 96 97 CONECT 32 30 CONECT 33 28 34 55 CONECT 34 33 35 CONECT 35 34 36 54 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 98 CONECT 39 38 40 48 99 CONECT 40 39 41 100 101 CONECT 41 40 42 47 CONECT 42 41 43 102 CONECT 43 42 44 103 CONECT 44 43 45 46 CONECT 45 44 104 CONECT 46 44 47 105 CONECT 47 46 41 106 CONECT 48 39 49 107 108 CONECT 49 48 50 51 109 CONECT 50 49 110 111 112 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 113 CONECT 54 35 55 114 CONECT 55 54 33 CONECT 56 26 57 58 115 CONECT 57 56 116 117 118 CONECT 58 56 119 120 121 CONECT 59 1 CONECT 60 1 CONECT 61 1 CONECT 62 2 CONECT 63 2 CONECT 64 3 CONECT 65 3 CONECT 66 7 CONECT 67 7 CONECT 68 11 CONECT 69 12 CONECT 70 15 CONECT 71 16 CONECT 72 16 CONECT 73 17 CONECT 74 17 CONECT 75 18 CONECT 76 18 CONECT 77 19 CONECT 78 19 CONECT 79 21 CONECT 80 21 CONECT 81 21 CONECT 82 22 CONECT 83 23 CONECT 84 23 CONECT 85 23 CONECT 86 24 CONECT 87 24 CONECT 88 25 CONECT 89 25 CONECT 90 25 CONECT 91 26 CONECT 92 27 CONECT 93 27 CONECT 94 28 CONECT 95 31 CONECT 96 31 CONECT 97 31 CONECT 98 38 CONECT 99 39 CONECT 100 40 CONECT 101 40 CONECT 102 42 CONECT 103 43 CONECT 104 45 CONECT 105 46 CONECT 106 47 CONECT 107 48 CONECT 108 48 CONECT 109 49 CONECT 110 50 CONECT 111 50 CONECT 112 50 CONECT 113 53 CONECT 114 54 CONECT 115 56 CONECT 116 57 CONECT 117 57 CONECT 118 57 CONECT 119 58 CONECT 120 58 CONECT 121 58 MASTER 0 0 0 0 0 0 0 0 121 0 246 0 END