HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 3.798 -2.813 -0.441 0.00 0.00 C+0 HETATM 2 O UNK 0 2.440 -2.485 -0.742 0.00 0.00 O+0 HETATM 3 C UNK 0 1.669 -3.239 0.271 0.00 0.00 C+0 HETATM 4 C UNK 0 1.015 -4.309 -0.527 0.00 0.00 C+0 HETATM 5 O UNK 0 0.937 -4.193 -1.771 0.00 0.00 O+0 HETATM 6 C UNK 0 0.428 -5.566 -0.007 0.00 0.00 C+0 HETATM 7 O UNK 0 1.097 -6.554 -0.874 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.014 -5.762 -0.497 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.057 -5.093 0.299 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.061 -5.373 -1.821 0.00 0.00 O+0 HETATM 11 C UNK 0 0.802 -2.214 0.813 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.211 -2.442 1.897 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.362 -1.494 1.533 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.662 -1.809 1.800 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.720 -1.021 1.324 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.033 -1.320 1.564 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.108 -0.520 1.052 0.00 0.00 C+0 HETATM 18 O UNK 0 -7.359 -0.908 1.371 0.00 0.00 O+0 HETATM 19 C UNK 0 -8.473 -0.097 1.612 0.00 0.00 C+0 HETATM 20 C UNK 0 -9.655 -0.552 0.906 0.00 0.00 C+0 HETATM 21 C UNK 0 -10.779 0.464 0.984 0.00 0.00 C+0 HETATM 22 O UNK 0 -11.848 0.073 0.180 0.00 0.00 O+0 HETATM 23 C UNK 0 -12.978 -0.205 0.921 0.00 0.00 C+0 HETATM 24 C UNK 0 -13.165 -1.713 1.131 0.00 0.00 C+0 HETATM 25 C UNK 0 -13.436 -2.424 -0.136 0.00 0.00 C+0 HETATM 26 O UNK 0 -12.248 -2.760 -0.825 0.00 0.00 O+0 HETATM 27 C UNK 0 -14.367 -1.701 -1.052 0.00 0.00 C+0 HETATM 28 O UNK 0 -15.658 -2.215 -0.914 0.00 0.00 O+0 HETATM 29 C UNK 0 -14.424 -0.219 -0.900 0.00 0.00 C+0 HETATM 30 C UNK 0 -13.666 0.404 -2.059 0.00 0.00 C+0 HETATM 31 O UNK 0 -14.084 0.291 0.331 0.00 0.00 O+0 HETATM 32 C UNK 0 -10.326 1.872 0.836 0.00 0.00 C+0 HETATM 33 O UNK 0 -10.150 2.399 -0.420 0.00 0.00 O+0 HETATM 34 C UNK 0 -10.816 3.517 -0.923 0.00 0.00 C+0 HETATM 35 C UNK 0 -10.611 4.071 -2.281 0.00 0.00 C+0 HETATM 36 O UNK 0 -11.617 4.053 -0.160 0.00 0.00 O+0 HETATM 37 C UNK 0 -9.149 2.165 1.758 0.00 0.00 C+0 HETATM 38 C UNK 0 -8.645 3.583 1.634 0.00 0.00 C+0 HETATM 39 O UNK 0 -8.190 1.237 1.746 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.827 0.568 0.289 0.00 0.00 C+0 HETATM 41 C UNK 0 -6.840 1.333 -0.524 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.485 0.881 0.053 0.00 0.00 C+0 HETATM 43 O UNK 0 -4.183 1.990 -0.709 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.478 0.094 0.572 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.161 0.427 0.301 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.960 1.556 -0.458 0.00 0.00 O+0 HETATM 47 C UNK 0 -1.107 -0.355 0.779 0.00 0.00 C+0 HETATM 48 C UNK 0 0.263 0.072 0.582 0.00 0.00 C+0 HETATM 49 O UNK 0 0.562 1.137 0.030 0.00 0.00 O+0 HETATM 50 C UNK 0 1.372 -0.883 1.108 0.00 0.00 C+0 HETATM 51 O UNK 0 2.501 -0.381 0.570 0.00 0.00 O+0 HETATM 52 C UNK 0 3.197 0.440 1.514 0.00 0.00 C+0 HETATM 53 C UNK 0 4.640 0.126 1.502 0.00 0.00 C+0 HETATM 54 C UNK 0 5.245 1.057 0.399 0.00 0.00 C+0 HETATM 55 O UNK 0 6.470 0.606 0.010 0.00 0.00 O+0 HETATM 56 C UNK 0 6.377 0.017 -1.246 0.00 0.00 C+0 HETATM 57 C UNK 0 7.141 0.896 -2.237 0.00 0.00 C+0 HETATM 58 C UNK 0 8.564 0.482 -2.167 0.00 0.00 C+0 HETATM 59 O UNK 0 9.003 0.558 -0.848 0.00 0.00 O+0 HETATM 60 C UNK 0 10.233 1.175 -0.756 0.00 0.00 C+0 HETATM 61 C UNK 0 11.074 0.365 0.176 0.00 0.00 C+0 HETATM 62 C UNK 0 12.202 1.212 0.733 0.00 0.00 C+0 HETATM 63 C UNK 0 11.744 1.860 2.002 0.00 0.00 C+0 HETATM 64 O UNK 0 13.309 0.413 0.925 0.00 0.00 O+0 HETATM 65 C UNK 0 12.501 2.257 -0.355 0.00 0.00 C+0 HETATM 66 O UNK 0 13.713 2.884 -0.057 0.00 0.00 O+0 HETATM 67 C UNK 0 14.870 2.658 -0.785 0.00 0.00 C+0 HETATM 68 C UNK 0 16.193 3.254 -0.544 0.00 0.00 C+0 HETATM 69 O UNK 0 14.769 1.835 -1.775 0.00 0.00 O+0 HETATM 70 C UNK 0 11.333 3.168 -0.389 0.00 0.00 C+0 HETATM 71 C UNK 0 11.273 4.030 -1.627 0.00 0.00 C+0 HETATM 72 O UNK 0 10.106 2.488 -0.245 0.00 0.00 O+0 HETATM 73 C UNK 0 8.657 -0.954 -2.683 0.00 0.00 C+0 HETATM 74 O UNK 0 9.706 -1.652 -2.083 0.00 0.00 O+0 HETATM 75 C UNK 0 7.374 -1.712 -2.390 0.00 0.00 C+0 HETATM 76 C UNK 0 7.729 -3.195 -2.193 0.00 0.00 C+0 HETATM 77 O UNK 0 6.897 -1.275 -1.179 0.00 0.00 O+0 HETATM 78 C UNK 0 5.231 2.430 1.010 0.00 0.00 C+0 HETATM 79 O UNK 0 6.114 2.478 2.058 0.00 0.00 O+0 HETATM 80 C UNK 0 3.802 2.699 1.444 0.00 0.00 C+0 HETATM 81 C UNK 0 3.643 2.979 2.909 0.00 0.00 C+0 HETATM 82 O UNK 0 2.933 1.739 0.981 0.00 0.00 O+0 HETATM 83 H UNK 0 3.798 -3.934 -0.676 0.00 0.00 H+0 HETATM 84 H UNK 0 3.959 -2.796 0.633 0.00 0.00 H+0 HETATM 85 H UNK 0 4.535 -2.333 -0.997 0.00 0.00 H+0 HETATM 86 H UNK 0 2.377 -3.680 0.922 0.00 0.00 H+0 HETATM 87 H UNK 0 0.558 -5.804 1.018 0.00 0.00 H+0 HETATM 88 H UNK 0 0.852 -6.205 -1.789 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.154 -6.895 -0.504 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.799 -5.239 1.383 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.075 -5.562 0.100 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.175 -4.011 0.129 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.723 -5.864 -2.378 0.00 0.00 H+0 HETATM 94 H UNK 0 0.083 -2.006 -0.118 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.516 -3.445 2.077 0.00 0.00 H+0 HETATM 96 H UNK 0 0.231 -2.047 2.861 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.915 -2.698 2.411 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.316 -2.197 2.164 0.00 0.00 H+0 HETATM 99 H UNK 0 -8.653 -0.351 2.765 0.00 0.00 H+0 HETATM 100 H UNK 0 -10.043 -1.485 1.414 0.00 0.00 H+0 HETATM 101 H UNK 0 -9.491 -0.901 -0.137 0.00 0.00 H+0 HETATM 102 H UNK 0 -11.197 0.317 2.053 0.00 0.00 H+0 HETATM 103 H UNK 0 -12.873 0.154 1.984 0.00 0.00 H+0 HETATM 104 H UNK 0 -14.035 -1.775 1.837 0.00 0.00 H+0 HETATM 105 H UNK 0 -12.323 -2.158 1.660 0.00 0.00 H+0 HETATM 106 H UNK 0 -13.917 -3.413 0.137 0.00 0.00 H+0 HETATM 107 H UNK 0 -11.788 -1.899 -1.029 0.00 0.00 H+0 HETATM 108 H UNK 0 -14.059 -1.927 -2.108 0.00 0.00 H+0 HETATM 109 H UNK 0 -16.307 -1.495 -1.133 0.00 0.00 H+0 HETATM 110 H UNK 0 -15.505 0.094 -1.051 0.00 0.00 H+0 HETATM 111 H UNK 0 -12.912 -0.334 -2.475 0.00 0.00 H+0 HETATM 112 H UNK 0 -14.396 0.506 -2.909 0.00 0.00 H+0 HETATM 113 H UNK 0 -13.255 1.394 -1.863 0.00 0.00 H+0 HETATM 114 H UNK 0 -11.145 2.511 1.305 0.00 0.00 H+0 HETATM 115 H UNK 0 -10.709 5.195 -2.203 0.00 0.00 H+0 HETATM 116 H UNK 0 -11.448 3.795 -2.995 0.00 0.00 H+0 HETATM 117 H UNK 0 -9.676 3.755 -2.771 0.00 0.00 H+0 HETATM 118 H UNK 0 -9.586 2.128 2.810 0.00 0.00 H+0 HETATM 119 H UNK 0 -8.495 3.915 0.583 0.00 0.00 H+0 HETATM 120 H UNK 0 -9.143 4.325 2.260 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.582 3.563 2.031 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.395 1.326 -1.617 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.948 2.351 -0.238 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.714 0.695 -0.688 0.00 0.00 H+0 HETATM 125 H UNK 0 -4.925 2.557 -1.077 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.177 1.966 -0.769 0.00 0.00 H+0 HETATM 127 H UNK 0 1.390 -0.682 2.216 0.00 0.00 H+0 HETATM 128 H UNK 0 2.700 0.397 2.507 0.00 0.00 H+0 HETATM 129 H UNK 0 5.112 0.529 2.438 0.00 0.00 H+0 HETATM 130 H UNK 0 4.941 -0.903 1.320 0.00 0.00 H+0 HETATM 131 H UNK 0 4.497 0.967 -0.433 0.00 0.00 H+0 HETATM 132 H UNK 0 5.337 -0.029 -1.619 0.00 0.00 H+0 HETATM 133 H UNK 0 6.688 0.749 -3.242 0.00 0.00 H+0 HETATM 134 H UNK 0 7.013 1.929 -1.855 0.00 0.00 H+0 HETATM 135 H UNK 0 9.232 1.097 -2.770 0.00 0.00 H+0 HETATM 136 H UNK 0 10.690 1.326 -1.772 0.00 0.00 H+0 HETATM 137 H UNK 0 10.443 0.045 1.044 0.00 0.00 H+0 HETATM 138 H UNK 0 11.532 -0.509 -0.286 0.00 0.00 H+0 HETATM 139 H UNK 0 10.789 2.403 1.932 0.00 0.00 H+0 HETATM 140 H UNK 0 11.686 1.078 2.817 0.00 0.00 H+0 HETATM 141 H UNK 0 12.495 2.655 2.297 0.00 0.00 H+0 HETATM 142 H UNK 0 13.079 -0.530 0.651 0.00 0.00 H+0 HETATM 143 H UNK 0 12.667 1.645 -1.274 0.00 0.00 H+0 HETATM 144 H UNK 0 16.572 2.845 0.445 0.00 0.00 H+0 HETATM 145 H UNK 0 16.902 2.977 -1.363 0.00 0.00 H+0 HETATM 146 H UNK 0 16.117 4.361 -0.443 0.00 0.00 H+0 HETATM 147 H UNK 0 11.393 3.797 0.546 0.00 0.00 H+0 HETATM 148 H UNK 0 12.136 3.817 -2.273 0.00 0.00 H+0 HETATM 149 H UNK 0 11.221 5.111 -1.364 0.00 0.00 H+0 HETATM 150 H UNK 0 10.360 3.820 -2.257 0.00 0.00 H+0 HETATM 151 H UNK 0 8.876 -0.932 -3.758 0.00 0.00 H+0 HETATM 152 H UNK 0 10.453 -1.845 -2.717 0.00 0.00 H+0 HETATM 153 H UNK 0 6.648 -1.670 -3.222 0.00 0.00 H+0 HETATM 154 H UNK 0 8.369 -3.351 -1.305 0.00 0.00 H+0 HETATM 155 H UNK 0 8.218 -3.594 -3.121 0.00 0.00 H+0 HETATM 156 H UNK 0 6.774 -3.724 -2.033 0.00 0.00 H+0 HETATM 157 H UNK 0 5.588 3.150 0.244 0.00 0.00 H+0 HETATM 158 H UNK 0 5.999 3.266 2.646 0.00 0.00 H+0 HETATM 159 H UNK 0 3.502 3.646 0.896 0.00 0.00 H+0 HETATM 160 H UNK 0 3.576 4.076 3.061 0.00 0.00 H+0 HETATM 161 H UNK 0 4.377 2.486 3.569 0.00 0.00 H+0 HETATM 162 H UNK 0 2.595 2.619 3.154 0.00 0.00 H+0 CONECT 1 2 83 84 85 CONECT 2 1 3 CONECT 3 2 4 11 86 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 8 87 CONECT 7 6 88 CONECT 8 6 9 10 89 CONECT 9 8 90 91 92 CONECT 10 8 93 CONECT 11 3 12 50 94 CONECT 12 11 13 95 96 CONECT 13 12 14 47 CONECT 14 13 15 97 CONECT 15 14 16 44 CONECT 16 15 17 98 CONECT 17 16 18 40 CONECT 18 17 19 CONECT 19 18 20 39 99 CONECT 20 19 21 100 101 CONECT 21 20 22 32 102 CONECT 22 21 23 CONECT 23 22 24 31 103 CONECT 24 23 25 104 105 CONECT 25 24 26 27 106 CONECT 26 25 107 CONECT 27 25 28 29 108 CONECT 28 27 109 CONECT 29 27 30 31 110 CONECT 30 29 111 112 113 CONECT 31 29 23 CONECT 32 21 33 37 114 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 115 116 117 CONECT 36 34 CONECT 37 32 38 39 118 CONECT 38 37 119 120 121 CONECT 39 37 19 CONECT 40 17 41 42 CONECT 41 40 122 123 124 CONECT 42 40 43 44 CONECT 43 42 125 CONECT 44 42 45 15 CONECT 45 44 46 47 CONECT 46 45 126 CONECT 47 45 48 13 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 11 127 CONECT 51 50 52 CONECT 52 51 53 82 128 CONECT 53 52 54 129 130 CONECT 54 53 55 78 131 CONECT 55 54 56 CONECT 56 55 57 77 132 CONECT 57 56 58 133 134 CONECT 58 57 59 73 135 CONECT 59 58 60 CONECT 60 59 61 72 136 CONECT 61 60 62 137 138 CONECT 62 61 63 64 65 CONECT 63 62 139 140 141 CONECT 64 62 142 CONECT 65 62 66 70 143 CONECT 66 65 67 CONECT 67 66 68 69 CONECT 68 67 144 145 146 CONECT 69 67 CONECT 70 65 71 72 147 CONECT 71 70 148 149 150 CONECT 72 70 60 CONECT 73 58 74 75 151 CONECT 74 73 152 CONECT 75 73 76 77 153 CONECT 76 75 154 155 156 CONECT 77 75 56 CONECT 78 54 79 80 157 CONECT 79 78 158 CONECT 80 78 81 82 159 CONECT 81 80 160 161 162 CONECT 82 80 52 CONECT 83 1 CONECT 84 1 CONECT 85 1 CONECT 86 3 CONECT 87 6 CONECT 88 7 CONECT 89 8 CONECT 90 9 CONECT 91 9 CONECT 92 9 CONECT 93 10 CONECT 94 11 CONECT 95 12 CONECT 96 12 CONECT 97 14 CONECT 98 16 CONECT 99 19 CONECT 100 20 CONECT 101 20 CONECT 102 21 CONECT 103 23 CONECT 104 24 CONECT 105 24 CONECT 106 25 CONECT 107 26 CONECT 108 27 CONECT 109 28 CONECT 110 29 CONECT 111 30 CONECT 112 30 CONECT 113 30 CONECT 114 32 CONECT 115 35 CONECT 116 35 CONECT 117 35 CONECT 118 37 CONECT 119 38 CONECT 120 38 CONECT 121 38 CONECT 122 41 CONECT 123 41 CONECT 124 41 CONECT 125 43 CONECT 126 46 CONECT 127 50 CONECT 128 52 CONECT 129 53 CONECT 130 53 CONECT 131 54 CONECT 132 56 CONECT 133 57 CONECT 134 57 CONECT 135 58 CONECT 136 60 CONECT 137 61 CONECT 138 61 CONECT 139 63 CONECT 140 63 CONECT 141 63 CONECT 142 64 CONECT 143 65 CONECT 144 68 CONECT 145 68 CONECT 146 68 CONECT 147 70 CONECT 148 71 CONECT 149 71 CONECT 150 71 CONECT 151 73 CONECT 152 74 CONECT 153 75 CONECT 154 76 CONECT 155 76 CONECT 156 76 CONECT 157 78 CONECT 158 79 CONECT 159 80 CONECT 160 81 CONECT 161 81 CONECT 162 81 MASTER 0 0 0 0 0 0 0 0 162 0 338 0 END