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 -0.828 5.423 7.801 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.739 4.141 6.986 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.901 2.873 7.835 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.293 2.724 8.442 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.553 1.650 7.008 0.00 0.00 C+0 HETATM 6 O UNK 0 0.426 0.942 7.220 0.00 0.00 O+0 HETATM 7 O UNK 0 -1.421 1.482 5.981 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.278 0.312 5.125 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.703 -0.277 4.992 0.00 0.00 C+0 HETATM 10 O UNK 0 -3.081 -0.776 6.305 0.00 0.00 O+0 HETATM 11 C UNK 0 -4.125 -0.178 6.929 0.00 0.00 C+0 HETATM 12 O UNK 0 -4.815 0.728 6.500 0.00 0.00 O+0 HETATM 13 C UNK 0 -4.285 -0.847 8.244 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.037 -0.406 9.273 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.130 -1.213 10.542 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.811 0.897 9.291 0.00 0.00 C+0 HETATM 17 C UNK 0 -7.268 0.716 8.854 0.00 0.00 C+0 HETATM 18 C UNK 0 -8.005 2.028 8.854 0.00 0.00 C+0 HETATM 19 C UNK 0 -8.901 2.472 9.757 0.00 0.00 C+0 HETATM 20 C UNK 0 -9.313 1.736 11.001 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.573 3.809 9.575 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.796 -1.448 3.985 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.059 -2.710 4.485 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.278 -1.837 3.787 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.229 -0.986 2.630 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.787 -0.448 2.713 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.251 -0.095 1.315 0.00 0.00 C+0 HETATM 28 C UNK 0 0.394 -1.056 0.621 0.00 0.00 C+0 HETATM 29 C UNK 0 1.005 -0.905 -0.742 0.00 0.00 C+0 HETATM 30 C UNK 0 0.665 0.424 -1.451 0.00 0.00 C+0 HETATM 31 C UNK 0 1.383 0.613 -2.863 0.00 0.00 C+0 HETATM 32 C UNK 0 2.919 0.460 -2.773 0.00 0.00 C+0 HETATM 33 C UNK 0 0.863 -0.508 -3.833 0.00 0.00 C+0 HETATM 34 C UNK 0 0.433 -0.018 -5.222 0.00 0.00 C+0 HETATM 35 C UNK 0 1.396 1.008 -5.822 0.00 0.00 C+0 HETATM 36 O UNK 0 2.706 0.432 -5.986 0.00 0.00 O+0 HETATM 37 C UNK 0 2.880 -0.306 -7.206 0.00 0.00 C+0 HETATM 38 O UNK 0 4.134 0.026 -7.818 0.00 0.00 O+0 HETATM 39 C UNK 0 5.272 -0.147 -6.965 0.00 0.00 C+0 HETATM 40 C UNK 0 5.664 1.174 -6.282 0.00 0.00 C+0 HETATM 41 O UNK 0 5.451 2.286 -6.756 0.00 0.00 O+0 HETATM 42 O UNK 0 6.354 0.966 -5.124 0.00 0.00 O+0 HETATM 43 C UNK 0 6.821 2.158 -4.494 0.00 0.00 C+0 HETATM 44 C UNK 0 5.117 -1.327 -5.998 0.00 0.00 C+0 HETATM 45 O UNK 0 6.398 -1.931 -5.735 0.00 0.00 O+0 HETATM 46 C UNK 0 4.207 -2.399 -6.611 0.00 0.00 C+0 HETATM 47 O UNK 0 4.132 -3.467 -5.630 0.00 0.00 O+0 HETATM 48 C UNK 0 3.816 -4.743 -6.190 0.00 0.00 C+0 HETATM 49 O UNK 0 2.411 -4.822 -6.477 0.00 0.00 O+0 HETATM 50 C UNK 0 1.752 -5.506 -5.384 0.00 0.00 C+0 HETATM 51 C UNK 0 1.045 -6.747 -5.935 0.00 0.00 C+0 HETATM 52 O UNK 0 -0.016 -6.348 -6.807 0.00 0.00 O+0 HETATM 53 C UNK 0 2.819 -5.780 -4.322 0.00 0.00 C+0 HETATM 54 O UNK 0 2.651 -6.981 -3.579 0.00 0.00 O+0 HETATM 55 C UNK 0 4.097 -5.822 -5.141 0.00 0.00 C+0 HETATM 56 O UNK 0 4.248 -7.116 -5.737 0.00 0.00 O+0 HETATM 57 C UNK 0 2.810 -1.836 -6.955 0.00 0.00 C+0 HETATM 58 O UNK 0 2.368 -2.549 -8.133 0.00 0.00 O+0 HETATM 59 C UNK 0 0.940 -2.646 -8.245 0.00 0.00 C+0 HETATM 60 O UNK 0 0.379 -1.394 -8.613 0.00 0.00 O+0 HETATM 61 C UNK 0 -1.053 -1.446 -8.760 0.00 0.00 C+0 HETATM 62 C UNK 0 -1.565 -0.030 -9.055 0.00 0.00 C+0 HETATM 63 O UNK 0 -1.381 0.803 -7.907 0.00 0.00 O+0 HETATM 64 C UNK 0 -1.424 -2.414 -9.892 0.00 0.00 C+0 HETATM 65 O UNK 0 -2.841 -2.527 -10.036 0.00 0.00 O+0 HETATM 66 C UNK 0 -0.840 -3.796 -9.594 0.00 0.00 C+0 HETATM 67 O UNK 0 -1.102 -4.661 -10.711 0.00 0.00 O+0 HETATM 68 C UNK 0 0.660 -3.706 -9.329 0.00 0.00 C+0 HETATM 69 O UNK 0 1.133 -5.007 -8.931 0.00 0.00 O+0 HETATM 70 C UNK 0 1.428 2.302 -4.926 0.00 0.00 C+0 HETATM 71 C UNK 0 2.791 3.011 -5.011 0.00 0.00 C+0 HETATM 72 C UNK 0 0.392 3.294 -5.539 0.00 0.00 C+0 HETATM 73 C UNK 0 0.968 2.006 -3.441 0.00 0.00 C+0 HETATM 74 C UNK 0 1.275 3.139 -2.444 0.00 0.00 C+0 HETATM 75 C UNK 0 0.466 2.965 -1.158 0.00 0.00 C+0 HETATM 76 C UNK 0 0.705 1.620 -0.419 0.00 0.00 C+0 HETATM 77 C UNK 0 2.112 1.722 0.249 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.442 1.334 0.740 0.00 0.00 C+0 HETATM 79 C UNK 0 -1.871 1.361 0.108 0.00 0.00 C+0 HETATM 80 C UNK 0 -0.362 2.419 1.881 0.00 0.00 C+0 HETATM 81 O UNK 0 -0.961 3.656 1.452 0.00 0.00 O+0 HETATM 82 C UNK 0 -1.034 2.037 3.222 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.455 2.078 3.078 0.00 0.00 O+0 HETATM 84 C UNK 0 -0.561 0.673 3.775 0.00 0.00 C+0 HETATM 85 C UNK 0 0.979 0.729 4.045 0.00 0.00 C+0 HETATM 86 O UNK 0 1.369 1.872 4.792 0.00 0.00 O+0 HETATM 87 H UNK 0 -0.630 6.289 7.161 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.823 5.553 8.236 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.092 5.426 8.611 0.00 0.00 H+0 HETATM 90 H UNK 0 0.234 4.117 6.480 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.497 4.168 6.193 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.175 2.903 8.659 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.399 1.751 8.935 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.482 3.497 9.193 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.073 2.796 7.677 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.680 -0.438 5.658 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.393 0.518 4.689 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.739 -1.782 8.336 0.00 0.00 H+0 HETATM 99 H UNK 0 -4.742 -0.637 11.388 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.557 -2.144 10.485 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.171 -1.479 10.750 0.00 0.00 H+0 HETATM 102 H UNK 0 -5.318 1.654 8.670 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.779 1.314 10.307 0.00 0.00 H+0 HETATM 104 H UNK 0 -7.307 0.307 7.837 0.00 0.00 H+0 HETATM 105 H UNK 0 -7.768 -0.025 9.486 0.00 0.00 H+0 HETATM 106 H UNK 0 -7.772 2.659 7.995 0.00 0.00 H+0 HETATM 107 H UNK 0 -9.191 2.381 11.877 0.00 0.00 H+0 HETATM 108 H UNK 0 -10.365 1.442 10.934 0.00 0.00 H+0 HETATM 109 H UNK 0 -8.723 0.836 11.187 0.00 0.00 H+0 HETATM 110 H UNK 0 -9.336 4.469 10.416 0.00 0.00 H+0 HETATM 111 H UNK 0 -10.659 3.682 9.526 0.00 0.00 H+0 HETATM 112 H UNK 0 -9.255 4.313 8.657 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.076 -3.498 3.724 0.00 0.00 H+0 HETATM 114 H UNK 0 -1.011 -2.515 4.730 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.530 -3.119 5.386 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.727 -2.204 4.717 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.871 -0.980 3.448 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.380 -2.629 3.036 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.262 -1.823 1.919 0.00 0.00 H+0 HETATM 120 H UNK 0 -2.902 -0.231 2.217 0.00 0.00 H+0 HETATM 121 H UNK 0 -0.186 -1.301 3.060 0.00 0.00 H+0 HETATM 122 H UNK 0 0.514 -2.046 1.058 0.00 0.00 H+0 HETATM 123 H UNK 0 2.085 -1.018 -0.609 0.00 0.00 H+0 HETATM 124 H UNK 0 0.673 -1.749 -1.356 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.391 0.338 -1.739 0.00 0.00 H+0 HETATM 126 H UNK 0 3.418 1.318 -2.327 0.00 0.00 H+0 HETATM 127 H UNK 0 3.373 0.344 -3.755 0.00 0.00 H+0 HETATM 128 H UNK 0 3.220 -0.433 -2.219 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.009 -1.022 -3.410 0.00 0.00 H+0 HETATM 130 H UNK 0 1.624 -1.291 -3.944 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.571 0.418 -5.154 0.00 0.00 H+0 HETATM 132 H UNK 0 0.328 -0.885 -5.878 0.00 0.00 H+0 HETATM 133 H UNK 0 1.032 1.300 -6.814 0.00 0.00 H+0 HETATM 134 H UNK 0 2.137 0.003 -7.943 0.00 0.00 H+0 HETATM 135 H UNK 0 6.115 -0.355 -7.637 0.00 0.00 H+0 HETATM 136 H UNK 0 5.981 2.800 -4.210 0.00 0.00 H+0 HETATM 137 H UNK 0 7.357 1.872 -3.585 0.00 0.00 H+0 HETATM 138 H UNK 0 7.514 2.693 -5.150 0.00 0.00 H+0 HETATM 139 H UNK 0 4.723 -1.014 -5.026 0.00 0.00 H+0 HETATM 140 H UNK 0 6.211 -2.712 -5.181 0.00 0.00 H+0 HETATM 141 H UNK 0 4.703 -2.799 -7.506 0.00 0.00 H+0 HETATM 142 H UNK 0 4.383 -4.925 -7.109 0.00 0.00 H+0 HETATM 143 H UNK 0 0.997 -4.816 -4.990 0.00 0.00 H+0 HETATM 144 H UNK 0 1.721 -7.387 -6.511 0.00 0.00 H+0 HETATM 145 H UNK 0 0.596 -7.336 -5.131 0.00 0.00 H+0 HETATM 146 H UNK 0 0.413 -5.976 -7.607 0.00 0.00 H+0 HETATM 147 H UNK 0 2.865 -4.937 -3.621 0.00 0.00 H+0 HETATM 148 H UNK 0 1.873 -6.867 -3.003 0.00 0.00 H+0 HETATM 149 H UNK 0 4.987 -5.623 -4.536 0.00 0.00 H+0 HETATM 150 H UNK 0 4.034 -7.751 -5.023 0.00 0.00 H+0 HETATM 151 H UNK 0 2.135 -2.071 -6.127 0.00 0.00 H+0 HETATM 152 H UNK 0 0.528 -2.983 -7.285 0.00 0.00 H+0 HETATM 153 H UNK 0 -1.488 -1.773 -7.806 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.006 0.419 -9.883 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.632 -0.032 -9.294 0.00 0.00 H+0 HETATM 156 H UNK 0 -1.681 1.693 -8.162 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.029 -2.051 -10.849 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.978 -3.298 -10.625 0.00 0.00 H+0 HETATM 159 H UNK 0 -1.357 -4.252 -8.740 0.00 0.00 H+0 HETATM 160 H UNK 0 -0.581 -5.472 -10.537 0.00 0.00 H+0 HETATM 161 H UNK 0 1.191 -3.456 -10.256 0.00 0.00 H+0 HETATM 162 H UNK 0 2.005 -4.837 -8.507 0.00 0.00 H+0 HETATM 163 H UNK 0 3.073 3.177 -6.056 0.00 0.00 H+0 HETATM 164 H UNK 0 2.770 3.997 -4.534 0.00 0.00 H+0 HETATM 165 H UNK 0 3.586 2.438 -4.534 0.00 0.00 H+0 HETATM 166 H UNK 0 -0.616 2.864 -5.553 0.00 0.00 H+0 HETATM 167 H UNK 0 0.654 3.548 -6.573 0.00 0.00 H+0 HETATM 168 H UNK 0 0.344 4.234 -4.981 0.00 0.00 H+0 HETATM 169 H UNK 0 -0.133 1.971 -3.488 0.00 0.00 H+0 HETATM 170 H UNK 0 0.997 4.108 -2.873 0.00 0.00 H+0 HETATM 171 H UNK 0 2.343 3.205 -2.218 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.583 3.076 -1.442 0.00 0.00 H+0 HETATM 173 H UNK 0 0.691 3.809 -0.497 0.00 0.00 H+0 HETATM 174 H UNK 0 2.226 2.649 0.819 0.00 0.00 H+0 HETATM 175 H UNK 0 2.323 0.893 0.928 0.00 0.00 H+0 HETATM 176 H UNK 0 2.922 1.744 -0.474 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.041 0.533 -0.588 0.00 0.00 H+0 HETATM 178 H UNK 0 -2.088 2.290 -0.422 0.00 0.00 H+0 HETATM 179 H UNK 0 -2.661 1.275 0.852 0.00 0.00 H+0 HETATM 180 H UNK 0 0.679 2.647 2.112 0.00 0.00 H+0 HETATM 181 H UNK 0 -0.632 4.352 2.049 0.00 0.00 H+0 HETATM 182 H UNK 0 -0.808 2.836 3.938 0.00 0.00 H+0 HETATM 183 H UNK 0 -2.641 2.857 2.515 0.00 0.00 H+0 HETATM 184 H UNK 0 1.554 0.761 3.117 0.00 0.00 H+0 HETATM 185 H UNK 0 1.319 -0.171 4.574 0.00 0.00 H+0 HETATM 186 H UNK 0 1.540 1.559 5.705 0.00 0.00 H+0 CONECT 1 2 87 88 89 CONECT 2 3 1 90 91 CONECT 3 5 2 4 92 CONECT 4 3 93 94 95 CONECT 5 7 3 6 CONECT 6 5 CONECT 7 8 5 CONECT 8 84 9 7 96 CONECT 9 8 22 10 97 CONECT 10 9 11 CONECT 11 10 13 12 CONECT 12 11 CONECT 13 11 14 98 CONECT 14 13 15 16 CONECT 15 14 99 100 101 CONECT 16 14 17 102 103 CONECT 17 16 18 104 105 CONECT 18 17 19 106 CONECT 19 18 20 21 CONECT 20 19 107 108 109 CONECT 21 19 110 111 112 CONECT 22 9 25 23 24 CONECT 23 22 113 114 115 CONECT 24 22 116 117 118 CONECT 25 26 22 119 120 CONECT 26 27 84 25 121 CONECT 27 78 28 26 CONECT 28 27 29 122 CONECT 29 30 28 123 124 CONECT 30 76 29 31 125 CONECT 31 33 73 32 30 CONECT 32 31 126 127 128 CONECT 33 31 34 129 130 CONECT 34 35 33 131 132 CONECT 35 34 70 36 133 CONECT 36 35 37 CONECT 37 57 38 36 134 CONECT 38 37 39 CONECT 39 38 44 40 135 CONECT 40 42 41 39 CONECT 41 40 CONECT 42 40 43 CONECT 43 42 136 137 138 CONECT 44 46 39 45 139 CONECT 45 44 140 CONECT 46 44 57 47 141 CONECT 47 48 46 CONECT 48 47 55 49 142 CONECT 49 48 50 CONECT 50 49 53 51 143 CONECT 51 52 50 144 145 CONECT 52 51 146 CONECT 53 55 50 54 147 CONECT 54 53 148 CONECT 55 53 48 56 149 CONECT 56 55 150 CONECT 57 46 37 58 151 CONECT 58 57 59 CONECT 59 68 60 58 152 CONECT 60 61 59 CONECT 61 64 60 62 153 CONECT 62 63 61 154 155 CONECT 63 62 156 CONECT 64 66 61 65 157 CONECT 65 64 158 CONECT 66 68 64 67 159 CONECT 67 66 160 CONECT 68 59 66 69 161 CONECT 69 68 162 CONECT 70 73 35 71 72 CONECT 71 70 163 164 165 CONECT 72 70 166 167 168 CONECT 73 70 31 74 169 CONECT 74 73 75 170 171 CONECT 75 74 76 172 173 CONECT 76 30 77 78 75 CONECT 77 76 174 175 176 CONECT 78 27 76 80 79 CONECT 79 78 177 178 179 CONECT 80 78 82 81 180 CONECT 81 80 181 CONECT 82 80 84 83 182 CONECT 83 82 183 CONECT 84 82 26 8 85 CONECT 85 84 86 184 185 CONECT 86 85 186 CONECT 87 1 CONECT 88 1 CONECT 89 1 CONECT 90 2 CONECT 91 2 CONECT 92 3 CONECT 93 4 CONECT 94 4 CONECT 95 4 CONECT 96 8 CONECT 97 9 CONECT 98 13 CONECT 99 15 CONECT 100 15 CONECT 101 15 CONECT 102 16 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 18 CONECT 107 20 CONECT 108 20 CONECT 109 20 CONECT 110 21 CONECT 111 21 CONECT 112 21 CONECT 113 23 CONECT 114 23 CONECT 115 23 CONECT 116 24 CONECT 117 24 CONECT 118 24 CONECT 119 25 CONECT 120 25 CONECT 121 26 CONECT 122 28 CONECT 123 29 CONECT 124 29 CONECT 125 30 CONECT 126 32 CONECT 127 32 CONECT 128 32 CONECT 129 33 CONECT 130 33 CONECT 131 34 CONECT 132 34 CONECT 133 35 CONECT 134 37 CONECT 135 39 CONECT 136 43 CONECT 137 43 CONECT 138 43 CONECT 139 44 CONECT 140 45 CONECT 141 46 CONECT 142 48 CONECT 143 50 CONECT 144 51 CONECT 145 51 CONECT 146 52 CONECT 147 53 CONECT 148 54 CONECT 149 55 CONECT 150 56 CONECT 151 57 CONECT 152 59 CONECT 153 61 CONECT 154 62 CONECT 155 62 CONECT 156 63 CONECT 157 64 CONECT 158 65 CONECT 159 66 CONECT 160 67 CONECT 161 68 CONECT 162 69 CONECT 163 71 CONECT 164 71 CONECT 165 71 CONECT 166 72 CONECT 167 72 CONECT 168 72 CONECT 169 73 CONECT 170 74 CONECT 171 74 CONECT 172 75 CONECT 173 75 CONECT 174 77 CONECT 175 77 CONECT 176 77 CONECT 177 79 CONECT 178 79 CONECT 179 79 CONECT 180 80 CONECT 181 81 CONECT 182 82 CONECT 183 83 CONECT 184 85 CONECT 185 85 CONECT 186 86 MASTER 0 0 0 0 0 0 0 0 186 0 386 0 END