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 7.153 -0.508 0.448 0.00 0.00 C+0 HETATM 2 C UNK 0 6.046 -0.095 -0.162 0.00 0.00 C+0 HETATM 3 C UNK 0 6.054 1.031 -1.120 0.00 0.00 C+0 HETATM 4 C UNK 0 4.760 -0.760 0.117 0.00 0.00 C+0 HETATM 5 C UNK 0 3.652 -0.388 -0.465 0.00 0.00 C+0 HETATM 6 C UNK 0 2.387 -1.032 -0.199 0.00 0.00 C+0 HETATM 7 C UNK 0 2.305 -2.070 0.684 0.00 0.00 C+0 HETATM 8 C UNK 0 1.066 -2.644 0.917 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.055 -2.180 0.275 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.006 -1.128 -0.625 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.965 -0.520 -1.380 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.430 -0.653 -1.465 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.203 0.179 -0.553 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.438 -0.076 0.764 0.00 0.00 C+0 HETATM 15 O UNK 0 -2.962 -1.235 1.335 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.112 -1.633 2.666 0.00 0.00 C+0 HETATM 17 N UNK 0 -4.150 0.800 1.548 0.00 0.00 N+0 HETATM 18 C UNK 0 -4.640 1.926 1.062 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.417 2.911 1.857 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.412 2.195 -0.266 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.849 3.251 -0.802 0.00 0.00 O+0 HETATM 22 N UNK 0 -3.719 1.351 -1.041 0.00 0.00 N+0 HETATM 23 O UNK 0 -3.484 1.610 -2.379 0.00 0.00 O+0 HETATM 24 C UNK 0 -0.253 0.459 -2.102 0.00 0.00 C+0 HETATM 25 N UNK 0 1.044 0.399 -1.758 0.00 0.00 N+0 HETATM 26 C UNK 0 1.226 -0.578 -0.841 0.00 0.00 C+0 HETATM 27 C UNK 0 6.804 1.913 -2.640 0.00 0.00 C+0 HETATM 28 C UNK 0 5.997 1.464 -1.714 0.00 0.00 C+0 HETATM 29 C UNK 0 6.409 1.417 -0.291 0.00 0.00 C+0 HETATM 30 C UNK 0 4.639 0.979 -2.070 0.00 0.00 C+0 HETATM 31 C UNK 0 3.818 0.531 -1.156 0.00 0.00 C+0 HETATM 32 C UNK 0 2.487 0.050 -1.469 0.00 0.00 C+0 HETATM 33 C UNK 0 1.979 -0.000 -2.733 0.00 0.00 C+0 HETATM 34 C UNK 0 0.673 -0.475 -2.954 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.119 -0.896 -1.913 0.00 0.00 C+0 HETATM 36 C UNK 0 0.371 -0.855 -0.631 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.190 -1.209 0.581 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.527 -1.747 0.864 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.613 -0.763 0.856 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.900 -1.253 1.061 0.00 0.00 C+0 HETATM 41 O UNK 0 -4.080 -2.623 1.240 0.00 0.00 O+0 HETATM 42 C UNK 0 -5.384 -3.134 1.455 0.00 0.00 C+0 HETATM 43 N UNK 0 -4.969 -0.439 1.088 0.00 0.00 N+0 HETATM 44 C UNK 0 -4.847 0.889 0.918 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.000 1.819 0.942 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.574 1.371 0.715 0.00 0.00 C+0 HETATM 47 O UNK 0 -3.419 2.610 0.552 0.00 0.00 O+0 HETATM 48 N UNK 0 -2.484 0.556 0.686 0.00 0.00 N+0 HETATM 49 O UNK 0 -1.231 1.063 0.486 0.00 0.00 O+0 HETATM 50 C UNK 0 0.801 -0.939 1.521 0.00 0.00 C+0 HETATM 51 N UNK 0 1.886 -0.451 0.894 0.00 0.00 N+0 HETATM 52 C UNK 0 1.646 -0.389 -0.437 0.00 0.00 C+0 HETATM 53 C UNK 0 6.300 -0.013 1.866 0.00 0.00 C+0 HETATM 54 C UNK 0 5.667 -0.617 0.912 0.00 0.00 C+0 HETATM 55 C UNK 0 6.214 -1.815 0.272 0.00 0.00 C+0 HETATM 56 C UNK 0 4.366 -0.093 0.465 0.00 0.00 C+0 HETATM 57 C UNK 0 3.684 -0.658 -0.493 0.00 0.00 C+0 HETATM 58 C UNK 0 2.426 -0.327 -1.067 0.00 0.00 C+0 HETATM 59 C UNK 0 2.094 -0.920 -2.301 0.00 0.00 C+0 HETATM 60 C UNK 0 0.910 -0.714 -2.941 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.032 0.111 -2.376 0.00 0.00 C+0 HETATM 62 C UNK 0 0.232 0.725 -1.156 0.00 0.00 C+0 HETATM 63 C UNK 0 -0.546 1.569 -0.418 0.00 0.00 C+0 HETATM 64 C UNK 0 -1.939 2.059 -0.579 0.00 0.00 C+0 HETATM 65 C UNK 0 -2.894 1.196 0.120 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.397 0.043 -0.364 0.00 0.00 C+0 HETATM 67 O UNK 0 -3.065 -0.409 -1.627 0.00 0.00 O+0 HETATM 68 C UNK 0 -3.628 -1.625 -2.068 0.00 0.00 C+0 HETATM 69 N UNK 0 -4.258 -0.699 0.408 0.00 0.00 N+0 HETATM 70 C UNK 0 -4.608 -0.293 1.636 0.00 0.00 C+0 HETATM 71 C UNK 0 -5.535 -1.046 2.522 0.00 0.00 C+0 HETATM 72 C UNK 0 -4.076 0.898 2.103 0.00 0.00 C+0 HETATM 73 O UNK 0 -4.404 1.292 3.270 0.00 0.00 O+0 HETATM 74 N UNK 0 -3.237 1.644 1.384 0.00 0.00 N+0 HETATM 75 O UNK 0 -2.723 2.837 1.873 0.00 0.00 O+0 HETATM 76 C UNK 0 0.249 1.862 0.710 0.00 0.00 C+0 HETATM 77 N UNK 0 1.428 1.203 0.608 0.00 0.00 N+0 HETATM 78 C UNK 0 1.472 0.488 -0.524 0.00 0.00 C+0 HETATM 79 Fe UNK 0 0.000 0.000 0.000 0.00 0.00 Fe+0 HETATM 80 H UNK 0 8.107 -0.050 0.279 0.00 0.00 H+0 HETATM 81 H UNK 0 7.080 -1.345 1.141 0.00 0.00 H+0 HETATM 82 H UNK 0 5.206 1.716 -0.953 0.00 0.00 H+0 HETATM 83 H UNK 0 5.979 0.622 -2.125 0.00 0.00 H+0 HETATM 84 H UNK 0 6.986 1.646 -0.973 0.00 0.00 H+0 HETATM 85 H UNK 0 4.808 -1.581 0.842 0.00 0.00 H+0 HETATM 86 H UNK 0 3.682 0.433 -1.181 0.00 0.00 H+0 HETATM 87 H UNK 0 3.171 -2.490 1.230 0.00 0.00 H+0 HETATM 88 H UNK 0 0.975 -3.481 1.621 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.031 -2.640 0.424 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.752 -1.726 -1.317 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.764 -0.444 -2.528 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.410 -1.038 3.286 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.926 -2.729 2.782 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.168 -1.464 2.957 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.186 2.426 2.478 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.692 3.432 2.531 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.929 3.619 1.190 0.00 0.00 H+0 HETATM 98 H UNK 0 -2.858 2.339 -2.683 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.701 1.139 -2.817 0.00 0.00 H+0 HETATM 100 H UNK 0 1.825 1.004 -2.128 0.00 0.00 H+0 HETATM 101 H UNK 0 7.783 2.256 -2.376 0.00 0.00 H+0 HETATM 102 H UNK 0 6.500 1.945 -3.671 0.00 0.00 H+0 HETATM 103 H UNK 0 7.352 1.988 -0.195 0.00 0.00 H+0 HETATM 104 H UNK 0 6.539 0.338 -0.045 0.00 0.00 H+0 HETATM 105 H UNK 0 5.638 1.896 0.337 0.00 0.00 H+0 HETATM 106 H UNK 0 4.332 1.000 -3.103 0.00 0.00 H+0 HETATM 107 H UNK 0 4.188 0.535 -0.116 0.00 0.00 H+0 HETATM 108 H UNK 0 2.572 0.321 -3.576 0.00 0.00 H+0 HETATM 109 H UNK 0 0.313 -0.498 -3.977 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.136 -1.269 -2.058 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.820 -2.551 0.124 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.487 -2.321 1.839 0.00 0.00 H+0 HETATM 113 H UNK 0 -5.523 -3.409 2.541 0.00 0.00 H+0 HETATM 114 H UNK 0 -6.156 -2.349 1.234 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.617 -4.005 0.820 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.735 2.787 1.445 0.00 0.00 H+0 HETATM 117 H UNK 0 -6.423 2.007 -0.043 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.828 1.385 1.576 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.085 1.741 -0.267 0.00 0.00 H+0 HETATM 120 H UNK 0 0.655 -1.117 2.594 0.00 0.00 H+0 HETATM 121 H UNK 0 2.765 -0.170 1.379 0.00 0.00 H+0 HETATM 122 H UNK 0 5.897 0.864 2.332 0.00 0.00 H+0 HETATM 123 H UNK 0 7.250 -0.397 2.198 0.00 0.00 H+0 HETATM 124 H UNK 0 6.283 -1.642 -0.833 0.00 0.00 H+0 HETATM 125 H UNK 0 5.626 -2.727 0.495 0.00 0.00 H+0 HETATM 126 H UNK 0 7.263 -2.035 0.588 0.00 0.00 H+0 HETATM 127 H UNK 0 3.977 0.795 0.899 0.00 0.00 H+0 HETATM 128 H UNK 0 4.197 -1.564 -0.910 0.00 0.00 H+0 HETATM 129 H UNK 0 2.816 -1.573 -2.770 0.00 0.00 H+0 HETATM 130 H UNK 0 0.650 -1.163 -3.887 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.959 0.308 -2.884 0.00 0.00 H+0 HETATM 132 H UNK 0 -1.991 3.079 -0.165 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.157 2.098 -1.678 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.482 -2.443 -1.319 0.00 0.00 H+0 HETATM 135 H UNK 0 -3.183 -1.963 -3.034 0.00 0.00 H+0 HETATM 136 H UNK 0 -4.721 -1.528 -2.269 0.00 0.00 H+0 HETATM 137 H UNK 0 -4.992 -1.431 3.420 0.00 0.00 H+0 HETATM 138 H UNK 0 -5.927 -1.946 2.005 0.00 0.00 H+0 HETATM 139 H UNK 0 -6.297 -0.344 2.862 0.00 0.00 H+0 HETATM 140 H UNK 0 -3.055 3.139 2.776 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.038 2.507 1.518 0.00 0.00 H+0 HETATM 142 H UNK 0 2.144 1.270 1.353 0.00 0.00 H+0 CONECT 1 2 80 81 CONECT 2 1 3 4 CONECT 3 2 82 83 84 CONECT 4 2 5 85 CONECT 5 4 6 86 CONECT 6 5 7 26 CONECT 7 6 8 87 CONECT 8 7 9 88 CONECT 9 8 10 89 CONECT 10 9 11 26 CONECT 11 10 12 24 CONECT 12 11 13 90 91 CONECT 13 12 14 22 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 92 93 94 CONECT 17 14 18 CONECT 18 17 19 20 CONECT 19 18 95 96 97 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 13 CONECT 23 22 98 CONECT 24 11 25 99 CONECT 25 24 26 100 CONECT 26 25 6 10 CONECT 27 28 101 102 CONECT 28 27 29 30 CONECT 29 28 103 104 105 CONECT 30 28 31 106 CONECT 31 30 32 107 CONECT 32 31 33 52 CONECT 33 32 34 108 CONECT 34 33 35 109 CONECT 35 34 36 110 CONECT 36 35 37 52 CONECT 37 36 38 50 CONECT 38 37 39 111 112 CONECT 39 38 40 48 CONECT 40 39 41 43 CONECT 41 40 42 CONECT 42 41 113 114 115 CONECT 43 40 44 CONECT 44 43 45 46 CONECT 45 44 116 117 118 CONECT 46 44 47 48 CONECT 47 46 CONECT 48 46 49 39 CONECT 49 48 119 CONECT 50 37 51 120 CONECT 51 50 52 121 CONECT 52 51 32 36 CONECT 53 54 122 123 CONECT 54 53 55 56 CONECT 55 54 124 125 126 CONECT 56 54 57 127 CONECT 57 56 58 128 CONECT 58 57 59 78 CONECT 59 58 60 129 CONECT 60 59 61 130 CONECT 61 60 62 131 CONECT 62 61 63 78 CONECT 63 62 64 76 CONECT 64 63 65 132 133 CONECT 65 64 66 74 CONECT 66 65 67 69 CONECT 67 66 68 CONECT 68 67 134 135 136 CONECT 69 66 70 CONECT 70 69 71 72 CONECT 71 70 137 138 139 CONECT 72 70 73 74 CONECT 73 72 CONECT 74 72 75 65 CONECT 75 74 140 CONECT 76 63 77 141 CONECT 77 76 78 142 CONECT 78 77 58 62 CONECT 80 1 CONECT 81 1 CONECT 82 3 CONECT 83 3 CONECT 84 3 CONECT 85 4 CONECT 86 5 CONECT 87 7 CONECT 88 8 CONECT 89 9 CONECT 90 12 CONECT 91 12 CONECT 92 16 CONECT 93 16 CONECT 94 16 CONECT 95 19 CONECT 96 19 CONECT 97 19 CONECT 98 23 CONECT 99 24 CONECT 100 25 CONECT 101 27 CONECT 102 27 CONECT 103 29 CONECT 104 29 CONECT 105 29 CONECT 106 30 CONECT 107 31 CONECT 108 33 CONECT 109 34 CONECT 110 35 CONECT 111 38 CONECT 112 38 CONECT 113 42 CONECT 114 42 CONECT 115 42 CONECT 116 45 CONECT 117 45 CONECT 118 45 CONECT 119 49 CONECT 120 50 CONECT 121 51 CONECT 122 53 CONECT 123 53 CONECT 124 55 CONECT 125 55 CONECT 126 55 CONECT 127 56 CONECT 128 57 CONECT 129 59 CONECT 130 60 CONECT 131 61 CONECT 132 64 CONECT 133 64 CONECT 134 68 CONECT 135 68 CONECT 136 68 CONECT 137 71 CONECT 138 71 CONECT 139 71 CONECT 140 75 CONECT 141 76 CONECT 142 77 MASTER 0 0 0 0 0 0 0 0 142 0 294 0 END