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 1.096 2.559 6.160 0.00 0.00 C+0 HETATM 2 S UNK 0 -0.027 1.141 6.086 0.00 0.00 S+0 HETATM 3 C UNK 0 -0.592 1.272 4.363 0.00 0.00 C+0 HETATM 4 C UNK 0 0.478 1.106 3.281 0.00 0.00 C+0 HETATM 5 C UNK 0 1.222 -0.243 3.183 0.00 0.00 C+0 HETATM 6 N UNK 0 0.529 -1.337 3.858 0.00 0.00 N+0 HETATM 7 C UNK 0 -0.318 -2.286 3.370 0.00 0.00 C+0 HETATM 8 O UNK 0 -0.906 -3.020 4.165 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.572 -2.361 1.852 0.00 0.00 C+0 HETATM 10 N UNK 0 -1.544 -1.316 1.553 0.00 0.00 N+0 HETATM 11 C UNK 0 -1.386 -0.364 0.606 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.385 -0.217 -0.085 0.00 0.00 O+0 HETATM 13 N UNK 0 -2.431 0.497 0.566 0.00 0.00 N+0 HETATM 14 C UNK 0 -2.680 1.534 -0.437 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.107 2.100 -0.273 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.359 3.006 0.948 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.312 2.340 2.323 0.00 0.00 C+0 HETATM 18 N UNK 0 -5.419 1.426 2.494 0.00 0.00 N+0 HETATM 19 C UNK 0 -5.345 0.083 2.551 0.00 0.00 C+0 HETATM 20 N UNK 0 -4.292 -0.612 2.293 0.00 0.00 N+0 HETATM 21 N UNK 0 -6.505 -0.490 2.899 0.00 0.00 N+0 HETATM 22 C UNK 0 -1.645 2.682 -0.536 0.00 0.00 C+0 HETATM 23 O UNK 0 -1.910 3.816 -0.917 0.00 0.00 O+0 HETATM 24 O UNK 0 -0.366 2.327 -0.285 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.154 -3.718 1.423 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.257 -4.929 1.711 0.00 0.00 C+0 HETATM 27 C UNK 0 0.608 -5.393 0.539 0.00 0.00 C+0 HETATM 28 C UNK 0 1.742 -4.442 0.173 0.00 0.00 C+0 HETATM 29 N UNK 0 2.676 -5.092 -0.728 0.00 0.00 N+0 HETATM 30 C UNK 0 3.528 -4.545 -1.635 0.00 0.00 C+0 HETATM 31 O UNK 0 4.271 -5.301 -2.270 0.00 0.00 O+0 HETATM 32 C UNK 0 3.565 -3.022 -1.864 0.00 0.00 C+0 HETATM 33 C UNK 0 2.849 -2.679 -3.181 0.00 0.00 C+0 HETATM 34 C UNK 0 1.366 -2.957 -3.174 0.00 0.00 C+0 HETATM 35 C UNK 0 0.876 -4.198 -3.606 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.492 -4.470 -3.577 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.385 -3.503 -3.121 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.909 -2.264 -2.698 0.00 0.00 C+0 HETATM 39 C UNK 0 0.460 -1.991 -2.723 0.00 0.00 C+0 HETATM 40 N UNK 0 4.999 -2.711 -1.973 0.00 0.00 N+0 HETATM 41 C UNK 0 5.722 -1.587 -1.747 0.00 0.00 C+0 HETATM 42 O UNK 0 6.924 -1.634 -2.021 0.00 0.00 O+0 HETATM 43 C UNK 0 5.052 -0.299 -1.204 0.00 0.00 C+0 HETATM 44 C UNK 0 4.915 0.702 -2.355 0.00 0.00 C+0 HETATM 45 N UNK 0 5.810 0.284 -0.062 0.00 0.00 N+0 HETATM 46 C UNK 0 7.236 0.553 -0.255 0.00 0.00 C+0 HETATM 47 C UNK 0 5.348 0.405 1.243 0.00 0.00 C+0 HETATM 48 O UNK 0 6.127 0.606 2.185 0.00 0.00 O+0 HETATM 49 C UNK 0 3.824 0.379 1.540 0.00 0.00 C+0 HETATM 50 C UNK 0 3.153 1.635 0.974 0.00 0.00 C+0 HETATM 51 C UNK 0 3.644 2.948 1.604 0.00 0.00 C+0 HETATM 52 C UNK 0 3.158 4.141 0.817 0.00 0.00 C+0 HETATM 53 C UNK 0 1.802 4.496 0.823 0.00 0.00 C+0 HETATM 54 C UNK 0 1.340 5.556 0.040 0.00 0.00 C+0 HETATM 55 C UNK 0 2.241 6.277 -0.735 0.00 0.00 C+0 HETATM 56 O UNK 0 1.829 7.310 -1.523 0.00 0.00 O+0 HETATM 57 C UNK 0 3.593 5.957 -0.735 0.00 0.00 C+0 HETATM 58 C UNK 0 4.052 4.887 0.035 0.00 0.00 C+0 HETATM 59 N UNK 0 3.680 0.257 2.999 0.00 0.00 N+0 HETATM 60 C UNK 0 2.634 -0.115 3.786 0.00 0.00 C+0 HETATM 61 O UNK 0 2.847 -0.306 4.985 0.00 0.00 O+0 HETATM 62 H UNK 0 1.439 2.687 7.191 0.00 0.00 H+0 HETATM 63 H UNK 0 0.580 3.471 5.852 0.00 0.00 H+0 HETATM 64 H UNK 0 1.972 2.398 5.528 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.072 2.250 4.245 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.385 0.530 4.218 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.036 1.266 2.327 0.00 0.00 H+0 HETATM 68 H UNK 0 1.193 1.934 3.348 0.00 0.00 H+0 HETATM 69 H UNK 0 1.337 -0.505 2.131 0.00 0.00 H+0 HETATM 70 H UNK 0 0.648 -1.366 4.871 0.00 0.00 H+0 HETATM 71 H UNK 0 0.357 -2.177 1.309 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.383 -1.262 2.129 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.236 0.194 1.124 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.628 1.021 -1.407 0.00 0.00 H+0 HETATM 75 H UNK 0 -4.830 1.275 -0.269 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.338 2.696 -1.166 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.646 3.837 0.946 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.349 3.463 0.819 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.418 3.126 3.081 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.345 1.873 2.527 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.321 1.864 2.618 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.555 -1.595 2.434 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.292 0.060 3.209 0.00 0.00 H+0 HETATM 84 H UNK 0 -6.597 -1.491 2.999 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.258 1.350 -0.222 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.418 -3.690 0.358 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.103 -3.872 1.956 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.917 -5.769 1.965 0.00 0.00 H+0 HETATM 89 H UNK 0 0.373 -4.766 2.592 0.00 0.00 H+0 HETATM 90 H UNK 0 1.035 -6.368 0.812 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.019 -5.577 -0.343 0.00 0.00 H+0 HETATM 92 H UNK 0 1.349 -3.537 -0.293 0.00 0.00 H+0 HETATM 93 H UNK 0 2.311 -4.150 1.062 0.00 0.00 H+0 HETATM 94 H UNK 0 2.789 -6.098 -0.652 0.00 0.00 H+0 HETATM 95 H UNK 0 3.149 -2.479 -1.013 0.00 0.00 H+0 HETATM 96 H UNK 0 3.005 -1.621 -3.423 0.00 0.00 H+0 HETATM 97 H UNK 0 3.308 -3.228 -4.016 0.00 0.00 H+0 HETATM 98 H UNK 0 1.559 -4.965 -3.968 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.860 -5.435 -3.914 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.451 -3.713 -3.103 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.606 -1.507 -2.349 0.00 0.00 H+0 HETATM 102 H UNK 0 0.807 -1.016 -2.389 0.00 0.00 H+0 HETATM 103 H UNK 0 5.576 -3.478 -2.320 0.00 0.00 H+0 HETATM 104 H UNK 0 4.049 -0.545 -0.862 0.00 0.00 H+0 HETATM 105 H UNK 0 5.870 0.879 -2.861 0.00 0.00 H+0 HETATM 106 H UNK 0 4.543 1.668 -2.004 0.00 0.00 H+0 HETATM 107 H UNK 0 4.222 0.326 -3.114 0.00 0.00 H+0 HETATM 108 H UNK 0 7.571 1.346 0.422 0.00 0.00 H+0 HETATM 109 H UNK 0 7.804 -0.353 -0.023 0.00 0.00 H+0 HETATM 110 H UNK 0 7.439 0.880 -1.277 0.00 0.00 H+0 HETATM 111 H UNK 0 3.385 -0.525 1.109 0.00 0.00 H+0 HETATM 112 H UNK 0 2.068 1.559 1.095 0.00 0.00 H+0 HETATM 113 H UNK 0 3.315 1.676 -0.108 0.00 0.00 H+0 HETATM 114 H UNK 0 4.738 2.972 1.650 0.00 0.00 H+0 HETATM 115 H UNK 0 3.292 3.035 2.639 0.00 0.00 H+0 HETATM 116 H UNK 0 1.086 3.933 1.416 0.00 0.00 H+0 HETATM 117 H UNK 0 0.280 5.789 0.039 0.00 0.00 H+0 HETATM 118 H UNK 0 0.859 7.350 -1.483 0.00 0.00 H+0 HETATM 119 H UNK 0 4.286 6.531 -1.344 0.00 0.00 H+0 HETATM 120 H UNK 0 5.110 4.637 0.013 0.00 0.00 H+0 HETATM 121 H UNK 0 4.557 0.340 3.517 0.00 0.00 H+0 CONECT 1 2 62 63 64 CONECT 2 3 1 CONECT 3 4 2 65 66 CONECT 4 5 3 67 68 CONECT 5 6 4 60 69 CONECT 6 5 7 70 CONECT 7 6 9 8 CONECT 8 7 CONECT 9 7 10 25 71 CONECT 10 9 11 72 CONECT 11 10 13 12 CONECT 12 11 CONECT 13 11 14 73 CONECT 14 13 22 15 74 CONECT 15 16 14 75 76 CONECT 16 15 17 77 78 CONECT 17 16 18 79 80 CONECT 18 17 19 81 CONECT 19 18 21 20 CONECT 20 19 82 CONECT 21 19 83 84 CONECT 22 14 23 24 CONECT 23 22 CONECT 24 22 85 CONECT 25 9 26 86 87 CONECT 26 25 27 88 89 CONECT 27 26 28 90 91 CONECT 28 27 29 92 93 CONECT 29 30 28 94 CONECT 30 32 29 31 CONECT 31 30 CONECT 32 40 30 33 95 CONECT 33 34 32 96 97 CONECT 34 33 35 39 CONECT 35 34 36 98 CONECT 36 35 37 99 CONECT 37 36 38 100 CONECT 38 37 39 101 CONECT 39 38 34 102 CONECT 40 41 32 103 CONECT 41 43 40 42 CONECT 42 41 CONECT 43 44 41 45 104 CONECT 44 43 105 106 107 CONECT 45 47 46 43 CONECT 46 45 108 109 110 CONECT 47 49 45 48 CONECT 48 47 CONECT 49 59 47 50 111 CONECT 50 51 49 112 113 CONECT 51 50 52 114 115 CONECT 52 53 51 58 CONECT 53 52 54 116 CONECT 54 53 55 117 CONECT 55 54 57 56 CONECT 56 55 118 CONECT 57 55 58 119 CONECT 58 57 52 120 CONECT 59 49 60 121 CONECT 60 59 61 5 CONECT 61 60 CONECT 62 1 CONECT 63 1 CONECT 64 1 CONECT 65 3 CONECT 66 3 CONECT 67 4 CONECT 68 4 CONECT 69 5 CONECT 70 6 CONECT 71 9 CONECT 72 10 CONECT 73 13 CONECT 74 14 CONECT 75 15 CONECT 76 15 CONECT 77 16 CONECT 78 16 CONECT 79 17 CONECT 80 17 CONECT 81 18 CONECT 82 20 CONECT 83 21 CONECT 84 21 CONECT 85 24 CONECT 86 25 CONECT 87 25 CONECT 88 26 CONECT 89 26 CONECT 90 27 CONECT 91 27 CONECT 92 28 CONECT 93 28 CONECT 94 29 CONECT 95 32 CONECT 96 33 CONECT 97 33 CONECT 98 35 CONECT 99 36 CONECT 100 37 CONECT 101 38 CONECT 102 39 CONECT 103 40 CONECT 104 43 CONECT 105 44 CONECT 106 44 CONECT 107 44 CONECT 108 46 CONECT 109 46 CONECT 110 46 CONECT 111 49 CONECT 112 50 CONECT 113 50 CONECT 114 51 CONECT 115 51 CONECT 116 53 CONECT 117 54 CONECT 118 56 CONECT 119 57 CONECT 120 58 CONECT 121 59 MASTER 0 0 0 0 0 0 0 0 121 0 246 0 END