HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -1.222 0.530 -3.278 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.244 -0.151 -4.220 0.00 0.00 C+0 HETATM 3 C UNK 0 0.156 -1.561 -3.767 0.00 0.00 C+0 HETATM 4 C UNK 0 0.866 -1.660 -2.397 0.00 0.00 C+0 HETATM 5 C UNK 0 2.095 -0.736 -2.369 0.00 0.00 C+0 HETATM 6 C UNK 0 1.308 -3.114 -2.046 0.00 0.00 C+0 HETATM 7 O UNK 0 1.750 -3.118 -0.664 0.00 0.00 O+0 HETATM 8 C UNK 0 2.985 -3.626 -0.390 0.00 0.00 C+0 HETATM 9 O UNK 0 3.738 -4.113 -1.224 0.00 0.00 O+0 HETATM 10 C UNK 0 3.357 -3.473 1.105 0.00 0.00 C+0 HETATM 11 C UNK 0 3.946 -4.791 1.667 0.00 0.00 C+0 HETATM 12 C UNK 0 2.926 -5.928 1.761 0.00 0.00 C+0 HETATM 13 C UNK 0 4.601 -4.564 3.034 0.00 0.00 C+0 HETATM 14 N UNK 0 2.281 -2.947 1.962 0.00 0.00 N+0 HETATM 15 C UNK 0 1.966 -1.651 2.241 0.00 0.00 C+0 HETATM 16 O UNK 0 1.078 -1.425 3.069 0.00 0.00 O+0 HETATM 17 C UNK 0 2.733 -0.507 1.575 0.00 0.00 C+0 HETATM 18 C UNK 0 3.728 0.051 2.618 0.00 0.00 C+0 HETATM 19 O UNK 0 4.954 0.389 1.956 0.00 0.00 O+0 HETATM 20 C UNK 0 3.156 1.266 3.374 0.00 0.00 C+0 HETATM 21 N UNK 0 2.135 1.018 4.243 0.00 0.00 N+0 HETATM 22 O UNK 0 3.557 2.415 3.200 0.00 0.00 O+0 HETATM 23 N UNK 0 1.794 0.475 1.037 0.00 0.00 N+0 HETATM 24 C UNK 0 2.224 1.603 0.378 0.00 0.00 C+0 HETATM 25 O UNK 0 3.412 1.777 0.102 0.00 0.00 O+0 HETATM 26 C UNK 0 1.143 2.690 0.206 0.00 0.00 C+0 HETATM 27 C UNK 0 1.485 3.626 -0.973 0.00 0.00 C+0 HETATM 28 C UNK 0 0.213 4.158 -1.642 0.00 0.00 C+0 HETATM 29 C UNK 0 2.377 4.797 -0.576 0.00 0.00 C+0 HETATM 30 N UNK 0 3.641 4.476 -0.188 0.00 0.00 N+0 HETATM 31 O UNK 0 2.021 5.971 -0.613 0.00 0.00 O+0 HETATM 32 N UNK 0 1.050 3.355 1.512 0.00 0.00 N+0 HETATM 33 C UNK 0 -0.045 3.698 2.245 0.00 0.00 C+0 HETATM 34 O UNK 0 0.114 4.156 3.379 0.00 0.00 O+0 HETATM 35 C UNK 0 -1.441 3.477 1.667 0.00 0.00 C+0 HETATM 36 N UNK 0 -2.350 4.510 2.156 0.00 0.00 N+0 HETATM 37 C UNK 0 -3.711 4.544 2.201 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.251 5.496 2.772 0.00 0.00 O+0 HETATM 39 C UNK 0 -4.564 3.355 1.712 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.687 2.375 2.897 0.00 0.00 C+0 HETATM 41 O UNK 0 -3.750 1.303 2.834 0.00 0.00 O+0 HETATM 42 N UNK 0 -4.066 2.837 0.433 0.00 0.00 N+0 HETATM 43 C UNK 0 -4.449 1.800 -0.346 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.855 1.634 -1.415 0.00 0.00 O+0 HETATM 45 C UNK 0 -5.596 0.910 0.058 0.00 0.00 C+0 HETATM 46 C UNK 0 -5.418 -0.509 -0.486 0.00 0.00 C+0 HETATM 47 O UNK 0 -6.655 -1.216 -0.316 0.00 0.00 O+0 HETATM 48 C UNK 0 -4.315 -1.290 0.257 0.00 0.00 C+0 HETATM 49 N UNK 0 -2.973 -0.793 0.004 0.00 0.00 N+0 HETATM 50 C UNK 0 -1.888 -0.783 0.819 0.00 0.00 C+0 HETATM 51 O UNK 0 -0.869 -0.171 0.490 0.00 0.00 O+0 HETATM 52 C UNK 0 -1.925 -1.405 2.158 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.293 -2.631 2.551 0.00 0.00 C+0 HETATM 54 C UNK 0 -2.843 -3.719 1.789 0.00 0.00 C+0 HETATM 55 C UNK 0 -2.305 -4.387 0.760 0.00 0.00 C+0 HETATM 56 C UNK 0 -0.967 -4.222 0.081 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.093 -4.028 -1.452 0.00 0.00 C+0 HETATM 58 O UNK 0 -2.029 -5.012 -1.950 0.00 0.00 O+0 HETATM 59 C UNK 0 -2.857 -4.517 -2.995 0.00 0.00 C+0 HETATM 60 C UNK 0 0.229 -4.207 -2.256 0.00 0.00 C+0 HETATM 61 C UNK 0 0.833 -5.610 -2.070 0.00 0.00 C+0 HETATM 62 H UNK 0 -0.772 0.724 -2.301 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.539 1.491 -3.694 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.115 -0.086 -3.132 0.00 0.00 H+0 HETATM 65 H UNK 0 0.641 0.480 -4.356 0.00 0.00 H+0 HETATM 66 H UNK 0 -0.714 -0.231 -5.208 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.758 -2.163 -3.753 0.00 0.00 H+0 HETATM 68 H UNK 0 0.805 -1.996 -4.538 0.00 0.00 H+0 HETATM 69 H UNK 0 0.186 -1.317 -1.611 0.00 0.00 H+0 HETATM 70 H UNK 0 2.754 -0.933 -3.221 0.00 0.00 H+0 HETATM 71 H UNK 0 2.685 -0.873 -1.462 0.00 0.00 H+0 HETATM 72 H UNK 0 1.801 0.317 -2.402 0.00 0.00 H+0 HETATM 73 H UNK 0 2.147 -3.354 -2.713 0.00 0.00 H+0 HETATM 74 H UNK 0 4.161 -2.727 1.114 0.00 0.00 H+0 HETATM 75 H UNK 0 4.739 -5.127 0.985 0.00 0.00 H+0 HETATM 76 H UNK 0 2.127 -5.708 2.475 0.00 0.00 H+0 HETATM 77 H UNK 0 2.470 -6.132 0.789 0.00 0.00 H+0 HETATM 78 H UNK 0 3.414 -6.852 2.091 0.00 0.00 H+0 HETATM 79 H UNK 0 3.866 -4.278 3.793 0.00 0.00 H+0 HETATM 80 H UNK 0 5.099 -5.477 3.379 0.00 0.00 H+0 HETATM 81 H UNK 0 5.357 -3.774 2.977 0.00 0.00 H+0 HETATM 82 H UNK 0 1.645 -3.610 2.390 0.00 0.00 H+0 HETATM 83 H UNK 0 3.285 -0.879 0.709 0.00 0.00 H+0 HETATM 84 H UNK 0 3.993 -0.711 3.359 0.00 0.00 H+0 HETATM 85 H UNK 0 4.738 1.161 1.387 0.00 0.00 H+0 HETATM 86 H UNK 0 1.673 0.116 4.320 0.00 0.00 H+0 HETATM 87 H UNK 0 1.728 1.810 4.729 0.00 0.00 H+0 HETATM 88 H UNK 0 0.788 0.288 1.110 0.00 0.00 H+0 HETATM 89 H UNK 0 0.202 2.170 0.002 0.00 0.00 H+0 HETATM 90 H UNK 0 2.023 3.057 -1.744 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.444 3.339 -1.950 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.348 4.821 -0.975 0.00 0.00 H+0 HETATM 93 H UNK 0 0.463 4.738 -2.538 0.00 0.00 H+0 HETATM 94 H UNK 0 4.265 5.221 0.093 0.00 0.00 H+0 HETATM 95 H UNK 0 3.972 3.516 -0.119 0.00 0.00 H+0 HETATM 96 H UNK 0 1.926 3.531 2.009 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.420 3.554 0.582 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.786 2.487 1.962 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.910 5.312 2.600 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.558 3.768 1.499 0.00 0.00 H+0 HETATM 101 H UNK 0 -5.690 1.938 2.917 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.553 2.888 3.856 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.861 0.787 3.654 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.377 3.411 -0.036 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.738 0.862 1.134 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.512 1.356 -0.349 0.00 0.00 H+0 HETATM 107 H UNK 0 -5.197 -0.500 -1.560 0.00 0.00 H+0 HETATM 108 H UNK 0 -7.297 -0.835 -0.941 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.523 -1.297 1.332 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.341 -2.330 -0.086 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.816 -0.309 -0.876 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.498 -0.746 2.911 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.215 -2.849 3.616 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.810 -4.067 2.157 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.897 -5.214 0.364 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.409 -5.138 0.300 0.00 0.00 H+0 HETATM 117 H UNK 0 -0.408 -3.392 0.519 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.506 -3.027 -1.625 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.260 -4.204 -3.855 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.466 -3.683 -2.634 0.00 0.00 H+0 HETATM 121 H UNK 0 -3.525 -5.322 -3.311 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.039 -4.184 -3.320 0.00 0.00 H+0 HETATM 123 H UNK 0 1.180 -5.782 -1.050 0.00 0.00 H+0 HETATM 124 H UNK 0 1.691 -5.748 -2.738 0.00 0.00 H+0 HETATM 125 H UNK 0 0.106 -6.391 -2.315 0.00 0.00 H+0 CONECT 1 2 62 63 64 CONECT 2 3 1 65 66 CONECT 3 4 2 67 68 CONECT 4 6 3 5 69 CONECT 5 4 70 71 72 CONECT 6 4 60 7 73 CONECT 7 8 6 CONECT 8 10 7 9 CONECT 9 8 CONECT 10 11 8 14 74 CONECT 11 10 12 13 75 CONECT 12 11 76 77 78 CONECT 13 11 79 80 81 CONECT 14 15 10 82 CONECT 15 16 17 14 CONECT 16 15 CONECT 17 18 15 23 83 CONECT 18 17 19 20 84 CONECT 19 18 85 CONECT 20 18 22 21 CONECT 21 20 86 87 CONECT 22 20 CONECT 23 24 17 88 CONECT 24 26 23 25 CONECT 25 24 CONECT 26 24 32 27 89 CONECT 27 26 29 28 90 CONECT 28 27 91 92 93 CONECT 29 27 31 30 CONECT 30 29 94 95 CONECT 31 29 CONECT 32 33 26 96 CONECT 33 32 35 34 CONECT 34 33 CONECT 35 33 36 97 98 CONECT 36 35 37 99 CONECT 37 36 39 38 CONECT 38 37 CONECT 39 37 42 40 100 CONECT 40 39 41 101 102 CONECT 41 40 103 CONECT 42 39 43 104 CONECT 43 42 45 44 CONECT 44 43 CONECT 45 43 46 105 106 CONECT 46 45 48 47 107 CONECT 47 46 108 CONECT 48 46 49 109 110 CONECT 49 48 50 111 CONECT 50 49 52 51 CONECT 51 50 CONECT 52 50 53 112 CONECT 53 52 54 113 CONECT 54 53 55 114 CONECT 55 54 56 115 CONECT 56 55 57 116 117 CONECT 57 56 60 58 118 CONECT 58 57 59 CONECT 59 58 119 120 121 CONECT 60 57 6 61 122 CONECT 61 60 123 124 125 CONECT 62 1 CONECT 63 1 CONECT 64 1 CONECT 65 2 CONECT 66 2 CONECT 67 3 CONECT 68 3 CONECT 69 4 CONECT 70 5 CONECT 71 5 CONECT 72 5 CONECT 73 6 CONECT 74 10 CONECT 75 11 CONECT 76 12 CONECT 77 12 CONECT 78 12 CONECT 79 13 CONECT 80 13 CONECT 81 13 CONECT 82 14 CONECT 83 17 CONECT 84 18 CONECT 85 19 CONECT 86 21 CONECT 87 21 CONECT 88 23 CONECT 89 26 CONECT 90 27 CONECT 91 28 CONECT 92 28 CONECT 93 28 CONECT 94 30 CONECT 95 30 CONECT 96 32 CONECT 97 35 CONECT 98 35 CONECT 99 36 CONECT 100 39 CONECT 101 40 CONECT 102 40 CONECT 103 41 CONECT 104 42 CONECT 105 45 CONECT 106 45 CONECT 107 46 CONECT 108 47 CONECT 109 48 CONECT 110 48 CONECT 111 49 CONECT 112 52 CONECT 113 53 CONECT 114 54 CONECT 115 55 CONECT 116 56 CONECT 117 56 CONECT 118 57 CONECT 119 59 CONECT 120 59 CONECT 121 59 CONECT 122 60 CONECT 123 61 CONECT 124 61 CONECT 125 61 MASTER 0 0 0 0 0 0 0 0 125 0 250 0 END