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 13.786 0.011 3.780 0.00 0.00 C+0 HETATM 2 C UNK 0 13.907 1.131 2.869 0.00 0.00 C+0 HETATM 3 C UNK 0 12.968 1.509 2.056 0.00 0.00 C+0 HETATM 4 C UNK 0 11.670 0.909 1.913 0.00 0.00 C+0 HETATM 5 C UNK 0 11.004 0.331 3.141 0.00 0.00 C+0 HETATM 6 C UNK 0 11.280 0.223 0.660 0.00 0.00 C+0 HETATM 7 O UNK 0 9.946 -0.245 0.873 0.00 0.00 O+0 HETATM 8 C UNK 0 11.218 1.043 -0.579 0.00 0.00 C+0 HETATM 9 C UNK 0 12.575 1.643 -0.943 0.00 0.00 C+0 HETATM 10 C UNK 0 10.721 0.258 -1.728 0.00 0.00 C+0 HETATM 11 C UNK 0 9.568 0.542 -2.345 0.00 0.00 C+0 HETATM 12 C UNK 0 9.158 -0.306 -3.497 0.00 0.00 C+0 HETATM 13 O UNK 0 9.328 -1.651 -3.091 0.00 0.00 O+0 HETATM 14 C UNK 0 7.791 -0.077 -4.013 0.00 0.00 C+0 HETATM 15 C UNK 0 6.688 -0.333 -3.027 0.00 0.00 C+0 HETATM 16 C UNK 0 5.849 -1.312 -3.296 0.00 0.00 C+0 HETATM 17 C UNK 0 6.069 -2.098 -4.569 0.00 0.00 C+0 HETATM 18 C UNK 0 4.732 -1.645 -2.498 0.00 0.00 C+0 HETATM 19 O UNK 0 4.011 -2.647 -2.865 0.00 0.00 O+0 HETATM 20 C UNK 0 4.298 -0.958 -1.286 0.00 0.00 C+0 HETATM 21 C UNK 0 2.848 -1.315 -0.977 0.00 0.00 C+0 HETATM 22 O UNK 0 2.597 -2.637 -0.825 0.00 0.00 O+0 HETATM 23 C UNK 0 1.840 -0.555 -1.759 0.00 0.00 C+0 HETATM 24 C UNK 0 1.992 -0.692 -3.276 0.00 0.00 C+0 HETATM 25 C UNK 0 0.491 -1.130 -1.422 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.495 -0.469 -0.853 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.725 -1.207 -0.619 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.788 -0.675 -0.074 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.844 0.691 0.349 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.908 1.227 0.872 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.161 0.580 1.106 0.00 0.00 C+0 HETATM 32 O UNK 0 -5.396 -0.623 0.838 0.00 0.00 O+0 HETATM 33 N UNK 0 -6.268 1.306 1.681 0.00 0.00 N+0 HETATM 34 C UNK 0 -7.483 0.628 1.882 0.00 0.00 C+0 HETATM 35 C UNK 0 -8.397 0.556 0.820 0.00 0.00 C+0 HETATM 36 Cl UNK 0 -7.912 1.302 -0.692 0.00 0.00 Cl+0 HETATM 37 C UNK 0 -9.593 -0.091 0.937 0.00 0.00 C+0 HETATM 38 O UNK 0 -10.506 -0.160 -0.120 0.00 0.00 O+0 HETATM 39 C UNK 0 -11.591 0.692 -0.328 0.00 0.00 C+0 HETATM 40 O UNK 0 -12.591 -0.056 -0.919 0.00 0.00 O+0 HETATM 41 C UNK 0 -12.801 0.265 -2.257 0.00 0.00 C+0 HETATM 42 C UNK 0 -13.619 -0.739 -3.011 0.00 0.00 C+0 HETATM 43 C UNK 0 -13.399 1.665 -2.371 0.00 0.00 C+0 HETATM 44 O UNK 0 -14.668 1.632 -1.846 0.00 0.00 O+0 HETATM 45 C UNK 0 -12.503 2.657 -1.634 0.00 0.00 C+0 HETATM 46 O UNK 0 -13.247 3.144 -0.559 0.00 0.00 O+0 HETATM 47 C UNK 0 -11.247 1.953 -1.092 0.00 0.00 C+0 HETATM 48 O UNK 0 -10.690 2.927 -0.219 0.00 0.00 O+0 HETATM 49 C UNK 0 -9.896 -0.690 2.148 0.00 0.00 C+0 HETATM 50 C UNK 0 -11.110 -1.359 2.314 0.00 0.00 C+0 HETATM 51 C UNK 0 -11.423 -1.953 3.518 0.00 0.00 C+0 HETATM 52 O UNK 0 -12.643 -2.603 3.627 0.00 0.00 O+0 HETATM 53 C UNK 0 -10.578 -1.924 4.600 0.00 0.00 C+0 HETATM 54 C UNK 0 -10.960 -2.571 5.899 0.00 0.00 C+0 HETATM 55 C UNK 0 -9.366 -1.263 4.452 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.044 -0.659 3.236 0.00 0.00 C+0 HETATM 57 C UNK 0 -7.834 0.017 3.062 0.00 0.00 C+0 HETATM 58 O UNK 0 -6.938 0.086 4.109 0.00 0.00 O+0 HETATM 59 C UNK 0 15.202 1.867 2.908 0.00 0.00 C+0 HETATM 60 O UNK 0 15.393 2.848 2.158 0.00 0.00 O+0 HETATM 61 O UNK 0 16.184 1.456 3.776 0.00 0.00 O+0 HETATM 62 H UNK 0 13.569 0.397 4.807 0.00 0.00 H+0 HETATM 63 H UNK 0 14.843 -0.437 3.937 0.00 0.00 H+0 HETATM 64 H UNK 0 13.112 -0.796 3.554 0.00 0.00 H+0 HETATM 65 H UNK 0 13.265 2.422 1.460 0.00 0.00 H+0 HETATM 66 H UNK 0 10.994 1.903 1.794 0.00 0.00 H+0 HETATM 67 H UNK 0 11.389 0.712 4.094 0.00 0.00 H+0 HETATM 68 H UNK 0 9.898 0.643 3.187 0.00 0.00 H+0 HETATM 69 H UNK 0 10.888 -0.787 3.095 0.00 0.00 H+0 HETATM 70 H UNK 0 11.911 -0.667 0.418 0.00 0.00 H+0 HETATM 71 H UNK 0 9.376 0.509 1.139 0.00 0.00 H+0 HETATM 72 H UNK 0 10.521 1.914 -0.386 0.00 0.00 H+0 HETATM 73 H UNK 0 13.359 1.095 -0.399 0.00 0.00 H+0 HETATM 74 H UNK 0 12.737 1.491 -2.050 0.00 0.00 H+0 HETATM 75 H UNK 0 12.614 2.705 -0.699 0.00 0.00 H+0 HETATM 76 H UNK 0 11.305 -0.576 -2.083 0.00 0.00 H+0 HETATM 77 H UNK 0 8.988 1.374 -1.978 0.00 0.00 H+0 HETATM 78 H UNK 0 9.874 -0.184 -4.351 0.00 0.00 H+0 HETATM 79 H UNK 0 9.359 -2.184 -3.920 0.00 0.00 H+0 HETATM 80 H UNK 0 7.727 1.008 -4.307 0.00 0.00 H+0 HETATM 81 H UNK 0 7.603 -0.620 -4.974 0.00 0.00 H+0 HETATM 82 H UNK 0 6.595 0.263 -2.138 0.00 0.00 H+0 HETATM 83 H UNK 0 5.337 -2.956 -4.611 0.00 0.00 H+0 HETATM 84 H UNK 0 5.884 -1.491 -5.473 0.00 0.00 H+0 HETATM 85 H UNK 0 7.076 -2.560 -4.566 0.00 0.00 H+0 HETATM 86 H UNK 0 4.371 0.145 -1.319 0.00 0.00 H+0 HETATM 87 H UNK 0 4.952 -1.260 -0.424 0.00 0.00 H+0 HETATM 88 H UNK 0 2.708 -0.874 0.107 0.00 0.00 H+0 HETATM 89 H UNK 0 2.141 -3.094 -1.571 0.00 0.00 H+0 HETATM 90 H UNK 0 1.828 0.519 -1.538 0.00 0.00 H+0 HETATM 91 H UNK 0 1.663 -1.671 -3.625 0.00 0.00 H+0 HETATM 92 H UNK 0 1.218 0.030 -3.710 0.00 0.00 H+0 HETATM 93 H UNK 0 2.947 -0.323 -3.637 0.00 0.00 H+0 HETATM 94 H UNK 0 0.364 -2.162 -1.692 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.344 0.560 -0.596 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.760 -2.269 -0.920 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.630 -1.386 0.023 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.930 1.295 0.220 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.827 2.283 1.165 0.00 0.00 H+0 HETATM 100 H UNK 0 -6.125 2.295 1.923 0.00 0.00 H+0 HETATM 101 H UNK 0 -11.886 1.081 0.697 0.00 0.00 H+0 HETATM 102 H UNK 0 -11.809 0.307 -2.752 0.00 0.00 H+0 HETATM 103 H UNK 0 -14.635 -0.289 -3.208 0.00 0.00 H+0 HETATM 104 H UNK 0 -13.688 -1.732 -2.531 0.00 0.00 H+0 HETATM 105 H UNK 0 -13.200 -0.944 -4.041 0.00 0.00 H+0 HETATM 106 H UNK 0 -13.457 2.013 -3.420 0.00 0.00 H+0 HETATM 107 H UNK 0 -14.860 2.268 -1.133 0.00 0.00 H+0 HETATM 108 H UNK 0 -12.234 3.512 -2.259 0.00 0.00 H+0 HETATM 109 H UNK 0 -12.972 2.797 0.314 0.00 0.00 H+0 HETATM 110 H UNK 0 -10.601 1.731 -1.943 0.00 0.00 H+0 HETATM 111 H UNK 0 -10.978 2.820 0.706 0.00 0.00 H+0 HETATM 112 H UNK 0 -11.771 -1.375 1.439 0.00 0.00 H+0 HETATM 113 H UNK 0 -12.922 -3.053 4.492 0.00 0.00 H+0 HETATM 114 H UNK 0 -10.904 -3.667 5.864 0.00 0.00 H+0 HETATM 115 H UNK 0 -12.009 -2.317 6.184 0.00 0.00 H+0 HETATM 116 H UNK 0 -10.329 -2.211 6.736 0.00 0.00 H+0 HETATM 117 H UNK 0 -8.702 -1.232 5.282 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.998 -0.277 5.017 0.00 0.00 H+0 HETATM 119 H UNK 0 16.668 0.589 3.604 0.00 0.00 H+0 CONECT 1 2 62 63 64 CONECT 2 1 3 59 CONECT 3 2 4 65 CONECT 4 3 5 6 66 CONECT 5 4 67 68 69 CONECT 6 4 7 8 70 CONECT 7 6 71 CONECT 8 6 9 10 72 CONECT 9 8 73 74 75 CONECT 10 8 11 76 CONECT 11 10 12 77 CONECT 12 11 13 14 78 CONECT 13 12 79 CONECT 14 12 15 80 81 CONECT 15 14 16 82 CONECT 16 15 17 18 CONECT 17 16 83 84 85 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 21 86 87 CONECT 21 20 22 23 88 CONECT 22 21 89 CONECT 23 21 24 25 90 CONECT 24 23 91 92 93 CONECT 25 23 26 94 CONECT 26 25 27 95 CONECT 27 26 28 96 CONECT 28 27 29 97 CONECT 29 28 30 98 CONECT 30 29 31 99 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 100 CONECT 34 33 35 57 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 49 CONECT 38 37 39 CONECT 39 38 40 47 101 CONECT 40 39 41 CONECT 41 40 42 43 102 CONECT 42 41 103 104 105 CONECT 43 41 44 45 106 CONECT 44 43 107 CONECT 45 43 46 47 108 CONECT 46 45 109 CONECT 47 45 48 39 110 CONECT 48 47 111 CONECT 49 37 50 56 CONECT 50 49 51 112 CONECT 51 50 52 53 CONECT 52 51 113 CONECT 53 51 54 55 CONECT 54 53 114 115 116 CONECT 55 53 56 117 CONECT 56 55 57 49 CONECT 57 56 58 34 CONECT 58 57 118 CONECT 59 2 60 61 CONECT 60 59 CONECT 61 59 119 CONECT 62 1 CONECT 63 1 CONECT 64 1 CONECT 65 3 CONECT 66 4 CONECT 67 5 CONECT 68 5 CONECT 69 5 CONECT 70 6 CONECT 71 7 CONECT 72 8 CONECT 73 9 CONECT 74 9 CONECT 75 9 CONECT 76 10 CONECT 77 11 CONECT 78 12 CONECT 79 13 CONECT 80 14 CONECT 81 14 CONECT 82 15 CONECT 83 17 CONECT 84 17 CONECT 85 17 CONECT 86 20 CONECT 87 20 CONECT 88 21 CONECT 89 22 CONECT 90 23 CONECT 91 24 CONECT 92 24 CONECT 93 24 CONECT 94 25 CONECT 95 26 CONECT 96 27 CONECT 97 28 CONECT 98 29 CONECT 99 30 CONECT 100 33 CONECT 101 39 CONECT 102 41 CONECT 103 42 CONECT 104 42 CONECT 105 42 CONECT 106 43 CONECT 107 44 CONECT 108 45 CONECT 109 46 CONECT 110 47 CONECT 111 48 CONECT 112 50 CONECT 113 52 CONECT 114 54 CONECT 115 54 CONECT 116 54 CONECT 117 55 CONECT 118 58 CONECT 119 61 MASTER 0 0 0 0 0 0 0 0 119 0 242 0 END