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 -5.136 -9.899 -0.355 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.155 -8.796 -0.714 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.074 -8.657 0.317 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.081 -7.579 -0.022 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.763 -6.246 -0.124 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.748 -5.145 -0.463 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.439 -3.811 -0.563 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.487 -2.692 -0.906 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.219 -1.371 -1.002 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.332 -0.214 -1.331 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.355 -0.061 -0.331 0.00 0.00 O+0 HETATM 12 C UNK 0 0.982 -0.182 -0.566 0.00 0.00 C+0 HETATM 13 O UNK 0 1.313 -0.437 -1.776 0.00 0.00 O+0 HETATM 14 C UNK 0 2.092 -0.050 0.395 0.00 0.00 C+0 HETATM 15 C UNK 0 1.797 0.848 1.563 0.00 0.00 C+0 HETATM 16 C UNK 0 0.698 0.518 2.455 0.00 0.00 C+0 HETATM 17 C UNK 0 0.628 -0.656 3.312 0.00 0.00 C+0 HETATM 18 N UNK 0 0.675 -1.982 2.846 0.00 0.00 N+0 HETATM 19 O UNK 0 -0.458 -2.657 2.457 0.00 0.00 O+0 HETATM 20 C UNK 0 1.908 -2.724 2.753 0.00 0.00 C+0 HETATM 21 O UNK 0 2.992 -2.152 3.118 0.00 0.00 O+0 HETATM 22 N UNK 0 3.298 0.439 -0.280 0.00 0.00 N+0 HETATM 23 C UNK 0 4.489 -0.302 -0.199 0.00 0.00 C+0 HETATM 24 O UNK 0 4.514 -1.371 0.448 0.00 0.00 O+0 HETATM 25 C UNK 0 5.750 0.178 -0.885 0.00 0.00 C+0 HETATM 26 O UNK 0 5.408 1.293 -1.638 0.00 0.00 O+0 HETATM 27 C UNK 0 6.802 0.457 0.160 0.00 0.00 C+0 HETATM 28 O UNK 0 7.984 0.923 -0.370 0.00 0.00 O+0 HETATM 29 C UNK 0 8.207 2.086 -1.013 0.00 0.00 C+0 HETATM 30 O UNK 0 7.201 2.868 -1.148 0.00 0.00 O+0 HETATM 31 C UNK 0 9.487 2.541 -1.573 0.00 0.00 C+0 HETATM 32 C UNK 0 9.527 3.782 -2.230 0.00 0.00 C+0 HETATM 33 C UNK 0 10.656 4.291 -2.796 0.00 0.00 C+0 HETATM 34 C UNK 0 11.839 3.565 -2.732 0.00 0.00 C+0 HETATM 35 C UNK 0 11.821 2.358 -2.099 0.00 0.00 C+0 HETATM 36 C UNK 0 10.640 1.833 -1.511 0.00 0.00 C+0 HETATM 37 O UNK 0 10.714 0.611 -0.892 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.074 1.014 -1.732 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.881 0.686 -2.980 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.891 1.672 -0.719 0.00 0.00 C+0 HETATM 41 O UNK 0 -4.162 1.492 -0.811 0.00 0.00 O+0 HETATM 42 N UNK 0 -2.414 2.485 0.344 0.00 0.00 N+0 HETATM 43 C UNK 0 -3.358 3.068 1.241 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.547 4.572 0.919 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.046 4.574 -0.512 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.300 5.985 -1.005 0.00 0.00 C+0 HETATM 47 N UNK 0 -5.299 6.611 -0.167 0.00 0.00 N+0 HETATM 48 O UNK 0 -4.921 7.629 0.627 0.00 0.00 O+0 HETATM 49 C UNK 0 -6.654 6.197 -0.146 0.00 0.00 C+0 HETATM 50 N UNK 0 -7.167 5.443 0.774 0.00 0.00 N+0 HETATM 51 N UNK 0 -7.536 6.616 -1.186 0.00 0.00 N+0 HETATM 52 C UNK 0 -2.964 3.004 2.640 0.00 0.00 C+0 HETATM 53 O UNK 0 -1.897 2.494 3.005 0.00 0.00 O+0 HETATM 54 N UNK 0 -3.861 3.560 3.614 0.00 0.00 N+0 HETATM 55 O UNK 0 -3.567 3.540 4.921 0.00 0.00 O+0 HETATM 56 H UNK 0 -6.014 -9.767 -1.056 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.718 -10.899 -0.534 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.551 -9.756 0.662 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.719 -9.033 -1.700 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.772 -7.863 -0.737 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.551 -8.383 1.302 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.483 -9.604 0.425 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.326 -7.549 0.804 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.564 -7.846 -0.978 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.303 -6.009 0.812 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.516 -6.319 -0.956 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.299 -5.414 -1.441 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.980 -5.095 0.311 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.960 -3.601 0.412 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.225 -3.909 -1.331 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.609 -2.696 -0.269 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.115 -2.925 -1.947 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.727 -1.239 -0.005 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.075 -1.472 -1.710 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.804 -0.529 -2.311 0.00 0.00 H+0 HETATM 76 H UNK 0 2.355 -1.078 0.702 0.00 0.00 H+0 HETATM 77 H UNK 0 1.528 1.853 1.075 0.00 0.00 H+0 HETATM 78 H UNK 0 2.754 1.129 2.096 0.00 0.00 H+0 HETATM 79 H UNK 0 0.600 1.426 3.182 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.270 0.651 1.851 0.00 0.00 H+0 HETATM 81 H UNK 0 -0.370 -0.574 3.887 0.00 0.00 H+0 HETATM 82 H UNK 0 1.375 -0.543 4.168 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.173 -3.499 2.032 0.00 0.00 H+0 HETATM 84 H UNK 0 1.942 -3.728 2.392 0.00 0.00 H+0 HETATM 85 H UNK 0 3.307 1.333 -0.830 0.00 0.00 H+0 HETATM 86 H UNK 0 6.137 -0.591 -1.590 0.00 0.00 H+0 HETATM 87 H UNK 0 4.859 0.972 -2.412 0.00 0.00 H+0 HETATM 88 H UNK 0 6.400 1.143 0.947 0.00 0.00 H+0 HETATM 89 H UNK 0 7.065 -0.524 0.684 0.00 0.00 H+0 HETATM 90 H UNK 0 8.600 4.346 -2.280 0.00 0.00 H+0 HETATM 91 H UNK 0 10.690 5.251 -3.303 0.00 0.00 H+0 HETATM 92 H UNK 0 12.762 3.961 -3.185 0.00 0.00 H+0 HETATM 93 H UNK 0 12.727 1.754 -2.024 0.00 0.00 H+0 HETATM 94 H UNK 0 9.974 0.156 -0.459 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.292 1.761 -2.041 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.969 0.625 -2.765 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.602 -0.300 -3.415 0.00 0.00 H+0 HETATM 98 H UNK 0 -2.633 1.445 -3.747 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.379 2.665 0.483 0.00 0.00 H+0 HETATM 100 H UNK 0 -4.369 2.648 1.016 0.00 0.00 H+0 HETATM 101 H UNK 0 -2.558 5.087 0.924 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.264 5.018 1.633 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.046 4.075 -0.497 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.303 4.072 -1.129 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.398 6.578 -1.139 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.782 5.879 -2.014 0.00 0.00 H+0 HETATM 107 H UNK 0 -4.525 8.393 0.107 0.00 0.00 H+0 HETATM 108 H UNK 0 -6.660 5.061 1.583 0.00 0.00 H+0 HETATM 109 H UNK 0 -8.128 5.874 -1.618 0.00 0.00 H+0 HETATM 110 H UNK 0 -7.548 7.609 -1.454 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.766 3.991 3.325 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.367 3.745 5.473 0.00 0.00 H+0 CONECT 1 2 56 57 58 CONECT 2 1 3 59 60 CONECT 3 2 4 61 62 CONECT 4 3 5 63 64 CONECT 5 4 6 65 66 CONECT 6 5 7 67 68 CONECT 7 6 8 69 70 CONECT 8 7 9 71 72 CONECT 9 8 10 73 74 CONECT 10 9 11 38 75 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 22 76 CONECT 15 14 16 77 78 CONECT 16 15 17 79 80 CONECT 17 16 18 81 82 CONECT 18 17 19 20 CONECT 19 18 83 CONECT 20 18 21 84 CONECT 21 20 CONECT 22 14 23 85 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 86 CONECT 26 25 87 CONECT 27 25 28 88 89 CONECT 28 27 29 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 36 CONECT 32 31 33 90 CONECT 33 32 34 91 CONECT 34 33 35 92 CONECT 35 34 36 93 CONECT 36 35 37 31 CONECT 37 36 94 CONECT 38 10 39 40 95 CONECT 39 38 96 97 98 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 43 99 CONECT 43 42 44 52 100 CONECT 44 43 45 101 102 CONECT 45 44 46 103 104 CONECT 46 45 47 105 106 CONECT 47 46 48 49 CONECT 48 47 107 CONECT 49 47 50 51 CONECT 50 49 108 CONECT 51 49 109 110 CONECT 52 43 53 54 CONECT 53 52 CONECT 54 52 55 111 CONECT 55 54 112 CONECT 56 1 CONECT 57 1 CONECT 58 1 CONECT 59 2 CONECT 60 2 CONECT 61 3 CONECT 62 3 CONECT 63 4 CONECT 64 4 CONECT 65 5 CONECT 66 5 CONECT 67 6 CONECT 68 6 CONECT 69 7 CONECT 70 7 CONECT 71 8 CONECT 72 8 CONECT 73 9 CONECT 74 9 CONECT 75 10 CONECT 76 14 CONECT 77 15 CONECT 78 15 CONECT 79 16 CONECT 80 16 CONECT 81 17 CONECT 82 17 CONECT 83 19 CONECT 84 20 CONECT 85 22 CONECT 86 25 CONECT 87 26 CONECT 88 27 CONECT 89 27 CONECT 90 32 CONECT 91 33 CONECT 92 34 CONECT 93 35 CONECT 94 37 CONECT 95 38 CONECT 96 39 CONECT 97 39 CONECT 98 39 CONECT 99 42 CONECT 100 43 CONECT 101 44 CONECT 102 44 CONECT 103 45 CONECT 104 45 CONECT 105 46 CONECT 106 46 CONECT 107 48 CONECT 108 50 CONECT 109 51 CONECT 110 51 CONECT 111 54 CONECT 112 55 MASTER 0 0 0 0 0 0 0 0 112 0 224 0 END