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 -14.483 1.164 -1.248 0.00 0.00 C+0 HETATM 2 C UNK 0 -14.606 0.247 -2.418 0.00 0.00 C+0 HETATM 3 C UNK 0 -13.597 -0.810 -2.600 0.00 0.00 C+0 HETATM 4 C UNK 0 -13.511 -1.884 -1.594 0.00 0.00 C+0 HETATM 5 C UNK 0 -13.186 -1.452 -0.231 0.00 0.00 C+0 HETATM 6 C UNK 0 -11.795 -0.981 -0.101 0.00 0.00 C+0 HETATM 7 C UNK 0 -11.498 -0.078 0.904 0.00 0.00 C+0 HETATM 8 C UNK 0 -10.212 0.363 1.080 0.00 0.00 C+0 HETATM 9 C UNK 0 -9.190 -0.088 0.258 0.00 0.00 C+0 HETATM 10 C UNK 0 -9.464 -0.991 -0.761 0.00 0.00 C+0 HETATM 11 O UNK 0 -8.567 -1.478 -1.597 0.00 0.00 O+0 HETATM 12 C UNK 0 -10.794 -1.418 -0.908 0.00 0.00 C+0 HETATM 13 C UNK 0 -11.133 -2.388 -1.935 0.00 0.00 C+0 HETATM 14 O UNK 0 -10.292 -2.833 -2.707 0.00 0.00 O+0 HETATM 15 O UNK 0 -12.479 -2.801 -2.010 0.00 0.00 O+0 HETATM 16 C UNK 0 -7.814 0.205 0.670 0.00 0.00 C+0 HETATM 17 C UNK 0 -7.577 0.888 1.884 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.266 1.172 2.219 0.00 0.00 C+0 HETATM 19 O UNK 0 -6.039 1.857 3.426 0.00 0.00 O+0 HETATM 20 C UNK 0 -5.871 1.140 4.621 0.00 0.00 C+0 HETATM 21 C UNK 0 -5.199 0.830 1.449 0.00 0.00 C+0 HETATM 22 O UNK 0 -3.947 1.110 1.812 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.900 0.798 1.113 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.611 1.118 1.562 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.530 0.753 0.763 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.660 0.095 -0.446 0.00 0.00 C+0 HETATM 27 O UNK 0 0.333 -0.296 -1.273 0.00 0.00 O+0 HETATM 28 C UNK 0 1.682 -0.302 -0.935 0.00 0.00 C+0 HETATM 29 C UNK 0 2.578 -0.832 -2.014 0.00 0.00 C+0 HETATM 30 C UNK 0 3.692 0.177 -2.381 0.00 0.00 C+0 HETATM 31 O UNK 0 3.178 1.325 -2.932 0.00 0.00 O+0 HETATM 32 C UNK 0 4.413 0.415 -1.048 0.00 0.00 C+0 HETATM 33 O UNK 0 4.931 -0.829 -0.719 0.00 0.00 O+0 HETATM 34 C UNK 0 6.288 -0.849 -0.461 0.00 0.00 C+0 HETATM 35 C UNK 0 6.595 -1.856 0.590 0.00 0.00 C+0 HETATM 36 C UNK 0 8.058 -1.943 0.849 0.00 0.00 C+0 HETATM 37 O UNK 0 8.359 -3.311 0.981 0.00 0.00 O+0 HETATM 38 C UNK 0 8.914 -1.327 -0.192 0.00 0.00 C+0 HETATM 39 O UNK 0 9.634 -0.227 0.305 0.00 0.00 O+0 HETATM 40 C UNK 0 10.990 -0.371 0.308 0.00 0.00 C+0 HETATM 41 C UNK 0 11.635 0.806 -0.373 0.00 0.00 C+0 HETATM 42 C UNK 0 13.149 0.725 -0.219 0.00 0.00 C+0 HETATM 43 O UNK 0 13.714 1.905 -0.711 0.00 0.00 O+0 HETATM 44 C UNK 0 14.588 1.637 -1.739 0.00 0.00 C+0 HETATM 45 C UNK 0 13.488 0.613 1.258 0.00 0.00 C+0 HETATM 46 O UNK 0 14.841 0.373 1.411 0.00 0.00 O+0 HETATM 47 C UNK 0 12.734 -0.553 1.838 0.00 0.00 C+0 HETATM 48 C UNK 0 12.947 -0.586 3.352 0.00 0.00 C+0 HETATM 49 O UNK 0 11.379 -0.298 1.663 0.00 0.00 O+0 HETATM 50 C UNK 0 8.262 -0.900 -1.460 0.00 0.00 C+0 HETATM 51 C UNK 0 9.162 -1.125 -2.631 0.00 0.00 C+0 HETATM 52 O UNK 0 6.963 -1.383 -1.632 0.00 0.00 O+0 HETATM 53 C UNK 0 3.338 0.901 -0.104 0.00 0.00 C+0 HETATM 54 C UNK 0 3.757 2.260 0.405 0.00 0.00 C+0 HETATM 55 O UNK 0 2.092 1.068 -0.773 0.00 0.00 O+0 HETATM 56 C UNK 0 -1.973 -0.203 -0.851 0.00 0.00 C+0 HETATM 57 O UNK 0 -2.134 -0.861 -2.054 0.00 0.00 O+0 HETATM 58 C UNK 0 -3.050 0.140 -0.087 0.00 0.00 C+0 HETATM 59 C UNK 0 -4.368 -0.179 -0.511 0.00 0.00 C+0 HETATM 60 O UNK 0 -4.476 -0.770 -1.590 0.00 0.00 O+0 HETATM 61 C UNK 0 -5.434 0.171 0.269 0.00 0.00 C+0 HETATM 62 C UNK 0 -6.741 -0.141 -0.124 0.00 0.00 C+0 HETATM 63 O UNK 0 -6.894 -0.774 -1.296 0.00 0.00 O+0 HETATM 64 C UNK 0 -8.664 1.246 2.804 0.00 0.00 C+0 HETATM 65 O UNK 0 -8.296 2.497 3.352 0.00 0.00 O+0 HETATM 66 C UNK 0 -9.931 1.411 2.095 0.00 0.00 C+0 HETATM 67 O UNK 0 -10.018 2.691 1.497 0.00 0.00 O+0 HETATM 68 H UNK 0 -15.224 1.008 -0.437 0.00 0.00 H+0 HETATM 69 H UNK 0 -14.733 2.241 -1.593 0.00 0.00 H+0 HETATM 70 H UNK 0 -13.485 1.249 -0.804 0.00 0.00 H+0 HETATM 71 H UNK 0 -15.657 -0.159 -2.388 0.00 0.00 H+0 HETATM 72 H UNK 0 -14.638 0.880 -3.369 0.00 0.00 H+0 HETATM 73 H UNK 0 -13.653 -1.211 -3.650 0.00 0.00 H+0 HETATM 74 H UNK 0 -12.568 -0.304 -2.603 0.00 0.00 H+0 HETATM 75 H UNK 0 -14.437 -2.552 -1.611 0.00 0.00 H+0 HETATM 76 H UNK 0 -13.181 -2.431 0.404 0.00 0.00 H+0 HETATM 77 H UNK 0 -13.902 -0.764 0.267 0.00 0.00 H+0 HETATM 78 H UNK 0 -12.255 0.326 1.589 0.00 0.00 H+0 HETATM 79 H UNK 0 -8.524 -2.093 -2.359 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.247 1.803 5.440 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.824 0.901 4.858 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.503 0.228 4.534 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.443 1.629 2.488 0.00 0.00 H+0 HETATM 84 H UNK 0 0.487 0.989 1.086 0.00 0.00 H+0 HETATM 85 H UNK 0 1.868 -0.730 0.088 0.00 0.00 H+0 HETATM 86 H UNK 0 2.022 -0.995 -2.972 0.00 0.00 H+0 HETATM 87 H UNK 0 3.037 -1.769 -1.700 0.00 0.00 H+0 HETATM 88 H UNK 0 4.402 -0.382 -2.999 0.00 0.00 H+0 HETATM 89 H UNK 0 3.539 2.149 -2.503 0.00 0.00 H+0 HETATM 90 H UNK 0 5.220 1.148 -1.161 0.00 0.00 H+0 HETATM 91 H UNK 0 6.782 0.095 -0.329 0.00 0.00 H+0 HETATM 92 H UNK 0 6.064 -1.531 1.518 0.00 0.00 H+0 HETATM 93 H UNK 0 6.177 -2.880 0.275 0.00 0.00 H+0 HETATM 94 H UNK 0 8.239 -1.433 1.855 0.00 0.00 H+0 HETATM 95 H UNK 0 8.956 -3.562 0.246 0.00 0.00 H+0 HETATM 96 H UNK 0 9.707 -2.066 -0.468 0.00 0.00 H+0 HETATM 97 H UNK 0 11.383 -1.301 -0.151 0.00 0.00 H+0 HETATM 98 H UNK 0 11.383 0.824 -1.453 0.00 0.00 H+0 HETATM 99 H UNK 0 11.346 1.732 0.170 0.00 0.00 H+0 HETATM 100 H UNK 0 13.519 -0.167 -0.728 0.00 0.00 H+0 HETATM 101 H UNK 0 14.080 1.105 -2.589 0.00 0.00 H+0 HETATM 102 H UNK 0 14.915 2.626 -2.147 0.00 0.00 H+0 HETATM 103 H UNK 0 15.445 1.037 -1.415 0.00 0.00 H+0 HETATM 104 H UNK 0 13.181 1.511 1.834 0.00 0.00 H+0 HETATM 105 H UNK 0 15.211 0.799 2.248 0.00 0.00 H+0 HETATM 106 H UNK 0 13.065 -1.522 1.426 0.00 0.00 H+0 HETATM 107 H UNK 0 12.857 0.490 3.697 0.00 0.00 H+0 HETATM 108 H UNK 0 12.101 -1.103 3.838 0.00 0.00 H+0 HETATM 109 H UNK 0 13.923 -0.997 3.636 0.00 0.00 H+0 HETATM 110 H UNK 0 8.116 0.231 -1.408 0.00 0.00 H+0 HETATM 111 H UNK 0 9.638 -0.168 -2.981 0.00 0.00 H+0 HETATM 112 H UNK 0 9.999 -1.781 -2.320 0.00 0.00 H+0 HETATM 113 H UNK 0 8.656 -1.634 -3.493 0.00 0.00 H+0 HETATM 114 H UNK 0 3.139 0.191 0.710 0.00 0.00 H+0 HETATM 115 H UNK 0 4.668 2.651 -0.134 0.00 0.00 H+0 HETATM 116 H UNK 0 2.979 3.053 0.228 0.00 0.00 H+0 HETATM 117 H UNK 0 3.965 2.256 1.506 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.422 -1.155 -2.678 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.276 -1.087 -2.004 0.00 0.00 H+0 HETATM 120 H UNK 0 -8.736 0.552 3.677 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.945 3.115 2.684 0.00 0.00 H+0 HETATM 122 H UNK 0 -10.787 1.391 2.827 0.00 0.00 H+0 HETATM 123 H UNK 0 -10.124 2.587 0.503 0.00 0.00 H+0 CONECT 1 2 68 69 70 CONECT 2 1 3 71 72 CONECT 3 2 4 73 74 CONECT 4 3 5 15 75 CONECT 5 4 6 76 77 CONECT 6 5 7 12 CONECT 7 6 8 78 CONECT 8 7 9 66 CONECT 9 8 10 16 CONECT 10 9 11 12 CONECT 11 10 79 CONECT 12 10 13 6 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 4 CONECT 16 9 17 62 CONECT 17 16 18 64 CONECT 18 17 19 21 CONECT 19 18 20 CONECT 20 19 80 81 82 CONECT 21 18 22 61 CONECT 22 21 23 CONECT 23 22 24 58 CONECT 24 23 25 83 CONECT 25 24 26 84 CONECT 26 25 27 56 CONECT 27 26 28 CONECT 28 27 29 55 85 CONECT 29 28 30 86 87 CONECT 30 29 31 32 88 CONECT 31 30 89 CONECT 32 30 33 53 90 CONECT 33 32 34 CONECT 34 33 35 52 91 CONECT 35 34 36 92 93 CONECT 36 35 37 38 94 CONECT 37 36 95 CONECT 38 36 39 50 96 CONECT 39 38 40 CONECT 40 39 41 49 97 CONECT 41 40 42 98 99 CONECT 42 41 43 45 100 CONECT 43 42 44 CONECT 44 43 101 102 103 CONECT 45 42 46 47 104 CONECT 46 45 105 CONECT 47 45 48 49 106 CONECT 48 47 107 108 109 CONECT 49 47 40 CONECT 50 38 51 52 110 CONECT 51 50 111 112 113 CONECT 52 50 34 CONECT 53 32 54 55 114 CONECT 54 53 115 116 117 CONECT 55 53 28 CONECT 56 26 57 58 CONECT 57 56 118 CONECT 58 56 59 23 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 21 CONECT 62 61 63 16 CONECT 63 62 119 CONECT 64 17 65 66 120 CONECT 65 64 121 CONECT 66 64 67 8 122 CONECT 67 66 123 CONECT 68 1 CONECT 69 1 CONECT 70 1 CONECT 71 2 CONECT 72 2 CONECT 73 3 CONECT 74 3 CONECT 75 4 CONECT 76 5 CONECT 77 5 CONECT 78 7 CONECT 79 11 CONECT 80 20 CONECT 81 20 CONECT 82 20 CONECT 83 24 CONECT 84 25 CONECT 85 28 CONECT 86 29 CONECT 87 29 CONECT 88 30 CONECT 89 31 CONECT 90 32 CONECT 91 34 CONECT 92 35 CONECT 93 35 CONECT 94 36 CONECT 95 37 CONECT 96 38 CONECT 97 40 CONECT 98 41 CONECT 99 41 CONECT 100 42 CONECT 101 44 CONECT 102 44 CONECT 103 44 CONECT 104 45 CONECT 105 46 CONECT 106 47 CONECT 107 48 CONECT 108 48 CONECT 109 48 CONECT 110 50 CONECT 111 51 CONECT 112 51 CONECT 113 51 CONECT 114 53 CONECT 115 54 CONECT 116 54 CONECT 117 54 CONECT 118 57 CONECT 119 63 CONECT 120 64 CONECT 121 65 CONECT 122 66 CONECT 123 67 MASTER 0 0 0 0 0 0 0 0 123 0 262 0 END