HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -8.724 -6.799 1.605 0.00 0.00 C+0 HETATM 2 O UNK 0 -8.332 -5.804 2.538 0.00 0.00 O+0 HETATM 3 C UNK 0 -7.791 -4.602 1.968 0.00 0.00 C+0 HETATM 4 C UNK 0 -8.832 -3.872 1.078 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.266 -2.653 0.333 0.00 0.00 C+0 HETATM 6 C UNK 0 -9.188 -2.058 -0.749 0.00 0.00 C+0 HETATM 7 C UNK 0 -10.448 -1.443 -0.140 0.00 0.00 C+0 HETATM 8 C UNK 0 -8.398 -1.017 -1.569 0.00 0.00 C+0 HETATM 9 O UNK 0 -8.005 0.073 -0.737 0.00 0.00 O+0 HETATM 10 C UNK 0 -6.696 0.572 -1.037 0.00 0.00 C+0 HETATM 11 O UNK 0 -6.653 1.022 -2.396 0.00 0.00 O+0 HETATM 12 C UNK 0 -5.375 1.575 -2.763 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.435 1.915 -4.255 0.00 0.00 C+0 HETATM 14 O UNK 0 -5.750 0.735 -4.997 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.077 2.815 -1.917 0.00 0.00 C+0 HETATM 16 O UNK 0 -3.832 3.431 -2.247 0.00 0.00 O+0 HETATM 17 C UNK 0 -5.082 2.425 -0.439 0.00 0.00 C+0 HETATM 18 O UNK 0 -4.907 3.592 0.383 0.00 0.00 O+0 HETATM 19 C UNK 0 -6.388 1.728 -0.057 0.00 0.00 C+0 HETATM 20 O UNK 0 -6.263 1.264 1.298 0.00 0.00 O+0 HETATM 21 O UNK 0 -6.631 -4.914 1.178 0.00 0.00 O+0 HETATM 22 C UNK 0 -5.538 -5.057 2.080 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.211 -4.697 1.407 0.00 0.00 C+0 HETATM 24 C UNK 0 -3.544 -3.779 2.425 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.391 -2.903 1.939 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.222 -3.728 1.379 0.00 0.00 C+0 HETATM 27 C UNK 0 0.065 -2.959 1.285 0.00 0.00 C+0 HETATM 28 C UNK 0 0.260 -1.718 1.776 0.00 0.00 C+0 HETATM 29 C UNK 0 1.660 -1.134 1.775 0.00 0.00 C+0 HETATM 30 C UNK 0 1.731 0.390 1.922 0.00 0.00 C+0 HETATM 31 O UNK 0 1.367 0.963 0.656 0.00 0.00 O+0 HETATM 32 C UNK 0 1.771 2.318 0.470 0.00 0.00 C+0 HETATM 33 O UNK 0 0.805 2.967 -0.366 0.00 0.00 O+0 HETATM 34 C UNK 0 0.693 2.435 -1.702 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.525 1.506 -1.803 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.686 2.163 -1.272 0.00 0.00 O+0 HETATM 37 C UNK 0 1.970 1.758 -2.218 0.00 0.00 C+0 HETATM 38 O UNK 0 1.985 1.774 -3.648 0.00 0.00 O+0 HETATM 39 C UNK 0 3.172 2.519 -1.662 0.00 0.00 C+0 HETATM 40 O UNK 0 4.379 1.944 -2.218 0.00 0.00 O+0 HETATM 41 C UNK 0 5.456 2.885 -2.282 0.00 0.00 C+0 HETATM 42 O UNK 0 5.512 3.486 -3.575 0.00 0.00 O+0 HETATM 43 C UNK 0 5.899 2.587 -4.620 0.00 0.00 C+0 HETATM 44 C UNK 0 5.869 3.373 -5.928 0.00 0.00 C+0 HETATM 45 C UNK 0 7.293 2.001 -4.353 0.00 0.00 C+0 HETATM 46 O UNK 0 7.620 1.041 -5.365 0.00 0.00 O+0 HETATM 47 C UNK 0 9.005 1.048 -5.727 0.00 0.00 C+0 HETATM 48 O UNK 0 9.130 1.789 -6.939 0.00 0.00 O+0 HETATM 49 C UNK 0 10.466 1.793 -7.453 0.00 0.00 C+0 HETATM 50 C UNK 0 10.522 2.690 -8.697 0.00 0.00 C+0 HETATM 51 O UNK 0 11.859 2.905 -9.139 0.00 0.00 O+0 HETATM 52 C UNK 0 10.909 0.359 -7.784 0.00 0.00 C+0 HETATM 53 O UNK 0 12.247 0.331 -8.297 0.00 0.00 O+0 HETATM 54 C UNK 0 10.833 -0.491 -6.517 0.00 0.00 C+0 HETATM 55 O UNK 0 11.173 -1.848 -6.843 0.00 0.00 O+0 HETATM 56 C UNK 0 9.440 -0.423 -5.895 0.00 0.00 C+0 HETATM 57 O UNK 0 9.495 -1.132 -4.643 0.00 0.00 O+0 HETATM 58 C UNK 0 7.266 1.271 -3.003 0.00 0.00 C+0 HETATM 59 O UNK 0 8.586 0.784 -2.687 0.00 0.00 O+0 HETATM 60 C UNK 0 6.774 2.189 -1.885 0.00 0.00 C+0 HETATM 61 O UNK 0 7.825 3.134 -1.602 0.00 0.00 O+0 HETATM 62 C UNK 0 3.201 2.397 -0.125 0.00 0.00 C+0 HETATM 63 O UNK 0 3.898 3.560 0.358 0.00 0.00 O+0 HETATM 64 C UNK 0 4.813 3.294 1.423 0.00 0.00 C+0 HETATM 65 O UNK 0 4.110 3.021 2.627 0.00 0.00 O+0 HETATM 66 C UNK 0 4.963 2.715 3.746 0.00 0.00 C+0 HETATM 67 C UNK 0 5.181 1.208 3.843 0.00 0.00 C+0 HETATM 68 C UNK 0 6.303 3.477 3.732 0.00 0.00 C+0 HETATM 69 O UNK 0 6.755 3.709 5.067 0.00 0.00 O+0 HETATM 70 C UNK 0 6.116 4.806 3.004 0.00 0.00 C+0 HETATM 71 O UNK 0 7.345 5.554 3.039 0.00 0.00 O+0 HETATM 72 C UNK 0 5.722 4.540 1.549 0.00 0.00 C+0 HETATM 73 O UNK 0 6.916 4.337 0.748 0.00 0.00 O+0 HETATM 74 C UNK 0 0.860 0.909 3.083 0.00 0.00 C+0 HETATM 75 C UNK 0 -0.205 -0.081 3.591 0.00 0.00 C+0 HETATM 76 C UNK 0 -0.856 -0.930 2.477 0.00 0.00 C+0 HETATM 77 C UNK 0 -1.561 0.003 1.458 0.00 0.00 C+0 HETATM 78 C UNK 0 -1.889 -1.964 3.081 0.00 0.00 C+0 HETATM 79 C UNK 0 -3.015 -1.322 3.942 0.00 0.00 C+0 HETATM 80 C UNK 0 -4.210 -2.246 4.244 0.00 0.00 C+0 HETATM 81 C UNK 0 -4.720 -2.939 2.973 0.00 0.00 C+0 HETATM 82 C UNK 0 -5.214 -1.866 1.971 0.00 0.00 C+0 HETATM 83 C UNK 0 -5.770 -4.062 3.229 0.00 0.00 C+0 HETATM 84 C UNK 0 -7.262 -3.721 3.135 0.00 0.00 C+0 HETATM 85 C UNK 0 -7.980 -3.925 4.469 0.00 0.00 C+0 HETATM 86 H UNK 0 -8.903 -7.725 2.158 0.00 0.00 H+0 HETATM 87 H UNK 0 -9.661 -6.524 1.114 0.00 0.00 H+0 HETATM 88 H UNK 0 -7.944 -6.993 0.863 0.00 0.00 H+0 HETATM 89 H UNK 0 -9.698 -3.591 1.688 0.00 0.00 H+0 HETATM 90 H UNK 0 -9.205 -4.563 0.314 0.00 0.00 H+0 HETATM 91 H UNK 0 -8.015 -1.866 1.050 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.335 -2.952 -0.163 0.00 0.00 H+0 HETATM 93 H UNK 0 -9.492 -2.859 -1.435 0.00 0.00 H+0 HETATM 94 H UNK 0 -10.205 -0.688 0.616 0.00 0.00 H+0 HETATM 95 H UNK 0 -11.057 -0.963 -0.914 0.00 0.00 H+0 HETATM 96 H UNK 0 -11.069 -2.208 0.337 0.00 0.00 H+0 HETATM 97 H UNK 0 -9.022 -0.619 -2.377 0.00 0.00 H+0 HETATM 98 H UNK 0 -7.528 -1.504 -2.029 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.976 -0.244 -0.890 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.608 0.802 -2.620 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.219 2.650 -4.463 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.479 2.303 -4.620 0.00 0.00 H+0 HETATM 103 H UNK 0 -6.545 0.365 -4.568 0.00 0.00 H+0 HETATM 104 H UNK 0 -5.851 3.575 -2.081 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.095 2.822 -2.004 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.228 1.776 -0.209 0.00 0.00 H+0 HETATM 107 H UNK 0 -4.265 4.157 -0.094 0.00 0.00 H+0 HETATM 108 H UNK 0 -7.216 2.448 -0.063 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.000 2.055 1.809 0.00 0.00 H+0 HETATM 110 H UNK 0 -5.523 -6.089 2.452 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.607 -5.593 1.224 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.365 -4.204 0.441 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.157 -4.421 3.232 0.00 0.00 H+0 HETATM 114 H UNK 0 -2.763 -2.304 1.103 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.485 -4.106 0.384 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.041 -4.603 2.015 0.00 0.00 H+0 HETATM 117 H UNK 0 0.897 -3.499 0.837 0.00 0.00 H+0 HETATM 118 H UNK 0 2.178 -1.428 0.853 0.00 0.00 H+0 HETATM 119 H UNK 0 2.204 -1.582 2.616 0.00 0.00 H+0 HETATM 120 H UNK 0 2.776 0.655 2.112 0.00 0.00 H+0 HETATM 121 H UNK 0 1.738 2.857 1.422 0.00 0.00 H+0 HETATM 122 H UNK 0 0.469 3.309 -2.328 0.00 0.00 H+0 HETATM 123 H UNK 0 -0.379 0.586 -1.231 0.00 0.00 H+0 HETATM 124 H UNK 0 -0.733 1.234 -2.842 0.00 0.00 H+0 HETATM 125 H UNK 0 -1.355 2.596 -0.455 0.00 0.00 H+0 HETATM 126 H UNK 0 2.023 0.705 -1.918 0.00 0.00 H+0 HETATM 127 H UNK 0 2.910 1.606 -3.912 0.00 0.00 H+0 HETATM 128 H UNK 0 3.108 3.566 -1.990 0.00 0.00 H+0 HETATM 129 H UNK 0 5.300 3.715 -1.588 0.00 0.00 H+0 HETATM 130 H UNK 0 5.156 1.784 -4.703 0.00 0.00 H+0 HETATM 131 H UNK 0 6.579 4.206 -5.901 0.00 0.00 H+0 HETATM 132 H UNK 0 4.877 3.811 -6.085 0.00 0.00 H+0 HETATM 133 H UNK 0 6.106 2.737 -6.787 0.00 0.00 H+0 HETATM 134 H UNK 0 8.031 2.814 -4.332 0.00 0.00 H+0 HETATM 135 H UNK 0 9.616 1.521 -4.947 0.00 0.00 H+0 HETATM 136 H UNK 0 11.145 2.224 -6.703 0.00 0.00 H+0 HETATM 137 H UNK 0 10.077 3.667 -8.479 0.00 0.00 H+0 HETATM 138 H UNK 0 9.943 2.257 -9.520 0.00 0.00 H+0 HETATM 139 H UNK 0 12.308 2.032 -9.116 0.00 0.00 H+0 HETATM 140 H UNK 0 10.259 -0.075 -8.553 0.00 0.00 H+0 HETATM 141 H UNK 0 12.504 -0.616 -8.268 0.00 0.00 H+0 HETATM 142 H UNK 0 11.593 -0.165 -5.795 0.00 0.00 H+0 HETATM 143 H UNK 0 10.912 -2.369 -6.055 0.00 0.00 H+0 HETATM 144 H UNK 0 8.720 -0.963 -6.522 0.00 0.00 H+0 HETATM 145 H UNK 0 8.944 -0.636 -3.997 0.00 0.00 H+0 HETATM 146 H UNK 0 6.622 0.387 -3.078 0.00 0.00 H+0 HETATM 147 H UNK 0 9.021 1.535 -2.227 0.00 0.00 H+0 HETATM 148 H UNK 0 6.638 1.597 -0.972 0.00 0.00 H+0 HETATM 149 H UNK 0 7.510 3.683 -0.848 0.00 0.00 H+0 HETATM 150 H UNK 0 3.769 1.496 0.144 0.00 0.00 H+0 HETATM 151 H UNK 0 5.426 2.426 1.148 0.00 0.00 H+0 HETATM 152 H UNK 0 4.397 3.011 4.638 0.00 0.00 H+0 HETATM 153 H UNK 0 4.223 0.690 3.950 0.00 0.00 H+0 HETATM 154 H UNK 0 5.653 0.815 2.937 0.00 0.00 H+0 HETATM 155 H UNK 0 5.807 0.951 4.703 0.00 0.00 H+0 HETATM 156 H UNK 0 7.086 2.890 3.235 0.00 0.00 H+0 HETATM 157 H UNK 0 7.509 4.327 4.989 0.00 0.00 H+0 HETATM 158 H UNK 0 5.350 5.397 3.521 0.00 0.00 H+0 HETATM 159 H UNK 0 7.104 6.499 2.990 0.00 0.00 H+0 HETATM 160 H UNK 0 5.242 5.434 1.134 0.00 0.00 H+0 HETATM 161 H UNK 0 7.610 4.868 1.200 0.00 0.00 H+0 HETATM 162 H UNK 0 0.361 1.845 2.809 0.00 0.00 H+0 HETATM 163 H UNK 0 1.512 1.151 3.932 0.00 0.00 H+0 HETATM 164 H UNK 0 -0.962 0.493 4.139 0.00 0.00 H+0 HETATM 165 H UNK 0 0.264 -0.747 4.330 0.00 0.00 H+0 HETATM 166 H UNK 0 -0.945 0.851 1.163 0.00 0.00 H+0 HETATM 167 H UNK 0 -1.825 -0.515 0.531 0.00 0.00 H+0 HETATM 168 H UNK 0 -2.474 0.446 1.862 0.00 0.00 H+0 HETATM 169 H UNK 0 -1.337 -2.606 3.788 0.00 0.00 H+0 HETATM 170 H UNK 0 -3.400 -0.411 3.478 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.590 -0.999 4.901 0.00 0.00 H+0 HETATM 172 H UNK 0 -5.013 -1.666 4.713 0.00 0.00 H+0 HETATM 173 H UNK 0 -3.896 -2.993 4.984 0.00 0.00 H+0 HETATM 174 H UNK 0 -5.590 -2.311 1.049 0.00 0.00 H+0 HETATM 175 H UNK 0 -4.437 -1.161 1.669 0.00 0.00 H+0 HETATM 176 H UNK 0 -6.004 -1.250 2.411 0.00 0.00 H+0 HETATM 177 H UNK 0 -5.528 -4.562 4.177 0.00 0.00 H+0 HETATM 178 H UNK 0 -7.396 -2.667 2.900 0.00 0.00 H+0 HETATM 179 H UNK 0 -7.844 -4.939 4.859 0.00 0.00 H+0 HETATM 180 H UNK 0 -7.589 -3.230 5.220 0.00 0.00 H+0 HETATM 181 H UNK 0 -9.054 -3.738 4.364 0.00 0.00 H+0 CONECT 1 2 86 87 88 CONECT 2 3 1 CONECT 3 21 84 2 4 CONECT 4 3 5 89 90 CONECT 5 6 4 91 92 CONECT 6 5 7 8 93 CONECT 7 6 94 95 96 CONECT 8 6 9 97 98 CONECT 9 8 10 CONECT 10 11 19 9 99 CONECT 11 10 12 CONECT 12 11 15 13 100 CONECT 13 12 14 101 102 CONECT 14 13 103 CONECT 15 12 17 16 104 CONECT 16 15 105 CONECT 17 15 19 18 106 CONECT 18 17 107 CONECT 19 17 10 20 108 CONECT 20 19 109 CONECT 21 3 22 CONECT 22 23 83 21 110 CONECT 23 24 22 111 112 CONECT 24 23 25 113 81 CONECT 25 26 78 114 24 CONECT 26 25 27 115 116 CONECT 27 28 26 117 CONECT 28 29 76 27 CONECT 29 28 30 118 119 CONECT 30 74 31 29 120 CONECT 31 30 32 CONECT 32 62 33 31 121 CONECT 33 32 34 CONECT 34 33 37 35 122 CONECT 35 36 34 123 124 CONECT 36 35 125 CONECT 37 34 39 38 126 CONECT 38 37 127 CONECT 39 62 37 40 128 CONECT 40 41 39 CONECT 41 60 42 40 129 CONECT 42 41 43 CONECT 43 42 45 44 130 CONECT 44 43 131 132 133 CONECT 45 58 43 46 134 CONECT 46 47 45 CONECT 47 56 48 46 135 CONECT 48 49 47 CONECT 49 52 48 50 136 CONECT 50 51 49 137 138 CONECT 51 50 139 CONECT 52 54 49 53 140 CONECT 53 52 141 CONECT 54 56 52 55 142 CONECT 55 54 143 CONECT 56 47 54 57 144 CONECT 57 56 145 CONECT 58 45 60 59 146 CONECT 59 58 147 CONECT 60 58 41 61 148 CONECT 61 60 149 CONECT 62 39 32 63 150 CONECT 63 64 62 CONECT 64 72 65 63 151 CONECT 65 64 66 CONECT 66 65 68 67 152 CONECT 67 66 153 154 155 CONECT 68 70 66 69 156 CONECT 69 68 157 CONECT 70 68 72 71 158 CONECT 71 70 159 CONECT 72 70 64 73 160 CONECT 73 72 161 CONECT 74 75 30 162 163 CONECT 75 76 74 164 165 CONECT 76 75 28 77 78 CONECT 77 76 166 167 168 CONECT 78 25 79 76 169 CONECT 79 80 78 170 171 CONECT 80 81 79 172 173 CONECT 81 80 83 82 24 CONECT 82 81 174 175 176 CONECT 83 81 22 84 177 CONECT 84 3 83 85 178 CONECT 85 84 179 180 181 CONECT 86 1 CONECT 87 1 CONECT 88 1 CONECT 89 4 CONECT 90 4 CONECT 91 5 CONECT 92 5 CONECT 93 6 CONECT 94 7 CONECT 95 7 CONECT 96 7 CONECT 97 8 CONECT 98 8 CONECT 99 10 CONECT 100 12 CONECT 101 13 CONECT 102 13 CONECT 103 14 CONECT 104 15 CONECT 105 16 CONECT 106 17 CONECT 107 18 CONECT 108 19 CONECT 109 20 CONECT 110 22 CONECT 111 23 CONECT 112 23 CONECT 113 24 CONECT 114 25 CONECT 115 26 CONECT 116 26 CONECT 117 27 CONECT 118 29 CONECT 119 29 CONECT 120 30 CONECT 121 32 CONECT 122 34 CONECT 123 35 CONECT 124 35 CONECT 125 36 CONECT 126 37 CONECT 127 38 CONECT 128 39 CONECT 129 41 CONECT 130 43 CONECT 131 44 CONECT 132 44 CONECT 133 44 CONECT 134 45 CONECT 135 47 CONECT 136 49 CONECT 137 50 CONECT 138 50 CONECT 139 51 CONECT 140 52 CONECT 141 53 CONECT 142 54 CONECT 143 55 CONECT 144 56 CONECT 145 57 CONECT 146 58 CONECT 147 59 CONECT 148 60 CONECT 149 61 CONECT 150 62 CONECT 151 64 CONECT 152 66 CONECT 153 67 CONECT 154 67 CONECT 155 67 CONECT 156 68 CONECT 157 69 CONECT 158 70 CONECT 159 71 CONECT 160 72 CONECT 161 73 CONECT 162 74 CONECT 163 74 CONECT 164 75 CONECT 165 75 CONECT 166 77 CONECT 167 77 CONECT 168 77 CONECT 169 78 CONECT 170 79 CONECT 171 79 CONECT 172 80 CONECT 173 80 CONECT 174 82 CONECT 175 82 CONECT 176 82 CONECT 177 83 CONECT 178 84 CONECT 179 85 CONECT 180 85 CONECT 181 85 MASTER 0 0 0 0 0 0 0 0 181 0 380 0 END