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 -0.339 3.497 -4.551 0.00 0.00 C+0 HETATM 2 O UNK 0 -1.100 4.580 -4.029 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.486 4.485 -2.716 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.267 3.397 -1.870 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.714 3.412 -0.527 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.359 4.571 -0.044 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.596 5.654 -0.901 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.160 5.600 -2.216 0.00 0.00 C+0 HETATM 9 O UNK 0 -2.398 6.680 -3.022 0.00 0.00 O+0 HETATM 10 C UNK 0 -2.833 4.646 1.384 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.071 3.673 2.278 0.00 0.00 C+0 HETATM 12 N UNK 0 -2.147 2.327 1.724 0.00 0.00 N+0 HETATM 13 C UNK 0 -1.449 2.200 0.402 0.00 0.00 C+0 HETATM 14 C UNK 0 0.106 2.067 0.612 0.00 0.00 C+0 HETATM 15 S UNK 0 0.724 1.103 2.074 0.00 0.00 S+0 HETATM 16 C UNK 0 1.002 -0.617 1.405 0.00 0.00 C+0 HETATM 17 C UNK 0 1.728 -0.668 0.063 0.00 0.00 C+0 HETATM 18 C UNK 0 3.039 -0.140 -0.113 0.00 0.00 C+0 HETATM 19 O UNK 0 3.682 0.440 0.996 0.00 0.00 O+0 HETATM 20 C UNK 0 3.787 1.828 0.937 0.00 0.00 C+0 HETATM 21 C UNK 0 4.511 2.309 2.160 0.00 0.00 C+0 HETATM 22 O UNK 0 3.375 2.559 0.046 0.00 0.00 O+0 HETATM 23 C UNK 0 3.759 -0.272 -1.318 0.00 0.00 C+0 HETATM 24 C UNK 0 5.151 0.250 -1.501 0.00 0.00 C+0 HETATM 25 C UNK 0 3.094 -0.884 -2.363 0.00 0.00 C+0 HETATM 26 C UNK 0 1.828 -1.404 -2.223 0.00 0.00 C+0 HETATM 27 C UNK 0 1.130 -1.348 -1.024 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.232 -2.002 -0.907 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.331 -1.054 -1.474 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.096 0.296 -1.032 0.00 0.00 O+0 HETATM 31 C UNK 0 -2.048 0.916 -0.286 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.201 0.512 -0.181 0.00 0.00 O+0 HETATM 33 N UNK 0 -0.529 -2.466 0.459 0.00 0.00 N+0 HETATM 34 C UNK 0 -0.343 -1.416 1.494 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.587 -1.964 2.962 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.085 -2.207 3.124 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.634 -3.468 2.830 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.021 -3.671 2.918 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.886 -2.622 3.263 0.00 0.00 C+0 HETATM 40 C UNK 0 -6.365 -2.866 3.331 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.337 -1.355 3.481 0.00 0.00 C+0 HETATM 42 O UNK 0 -5.140 -0.278 3.771 0.00 0.00 O+0 HETATM 43 C UNK 0 -5.530 0.374 2.555 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.951 -1.163 3.455 0.00 0.00 C+0 HETATM 45 O UNK 0 -2.436 0.074 3.741 0.00 0.00 O+0 HETATM 46 C UNK 0 -1.729 -4.620 2.463 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.244 -4.237 2.272 0.00 0.00 C+0 HETATM 48 C UNK 0 0.068 -3.758 0.807 0.00 0.00 C+0 HETATM 49 O UNK 0 1.486 -3.731 0.668 0.00 0.00 O+0 HETATM 50 N UNK 0 0.239 -3.183 3.205 0.00 0.00 N+0 HETATM 51 C UNK 0 0.221 -3.598 4.605 0.00 0.00 C+0 HETATM 52 O UNK 0 1.375 -1.975 -3.375 0.00 0.00 O+0 HETATM 53 C UNK 0 2.507 -1.784 -4.244 0.00 0.00 C+0 HETATM 54 O UNK 0 3.589 -1.070 -3.620 0.00 0.00 O+0 HETATM 55 H UNK 0 -0.926 2.573 -4.562 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.080 3.740 -5.586 0.00 0.00 H+0 HETATM 57 H UNK 0 0.597 3.367 -3.996 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.742 2.521 -2.239 0.00 0.00 H+0 HETATM 59 H UNK 0 -3.114 6.542 -0.547 0.00 0.00 H+0 HETATM 60 H UNK 0 -2.015 6.435 -3.886 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.696 5.662 1.773 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.907 4.421 1.408 0.00 0.00 H+0 HETATM 63 H UNK 0 -2.528 3.674 3.274 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.030 3.991 2.407 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.719 1.656 2.372 0.00 0.00 H+0 HETATM 66 H UNK 0 0.502 3.074 0.804 0.00 0.00 H+0 HETATM 67 H UNK 0 0.626 1.742 -0.293 0.00 0.00 H+0 HETATM 68 H UNK 0 1.699 -1.082 2.114 0.00 0.00 H+0 HETATM 69 H UNK 0 4.537 3.402 2.158 0.00 0.00 H+0 HETATM 70 H UNK 0 3.985 1.978 3.059 0.00 0.00 H+0 HETATM 71 H UNK 0 5.537 1.932 2.153 0.00 0.00 H+0 HETATM 72 H UNK 0 5.123 1.294 -1.826 0.00 0.00 H+0 HETATM 73 H UNK 0 5.696 -0.333 -2.251 0.00 0.00 H+0 HETATM 74 H UNK 0 5.728 0.177 -0.574 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.258 -2.893 -1.549 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.268 -1.034 -2.568 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.330 -1.421 -1.215 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.155 -0.712 1.313 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.272 -1.204 3.688 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.431 -4.658 2.712 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.829 -2.260 4.116 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.578 -3.914 3.571 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.832 -2.628 2.371 0.00 0.00 H+0 HETATM 84 H UNK 0 -6.254 1.152 2.814 0.00 0.00 H+0 HETATM 85 H UNK 0 -6.011 -0.317 1.855 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.671 0.858 2.081 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.210 0.620 3.985 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.794 -5.351 3.279 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.108 -5.109 1.558 0.00 0.00 H+0 HETATM 90 H UNK 0 0.364 -5.138 2.434 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.301 -4.522 0.113 0.00 0.00 H+0 HETATM 92 H UNK 0 1.809 -3.384 1.520 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.775 -3.844 4.986 0.00 0.00 H+0 HETATM 94 H UNK 0 0.639 -2.808 5.238 0.00 0.00 H+0 HETATM 95 H UNK 0 0.861 -4.477 4.743 0.00 0.00 H+0 HETATM 96 H UNK 0 2.871 -2.765 -4.568 0.00 0.00 H+0 HETATM 97 H UNK 0 2.179 -1.222 -5.127 0.00 0.00 H+0 CONECT 1 2 55 56 57 CONECT 2 3 1 CONECT 3 8 4 2 CONECT 4 5 3 58 CONECT 5 4 13 6 CONECT 6 7 10 5 CONECT 7 6 8 59 CONECT 8 3 9 7 CONECT 9 8 60 CONECT 10 6 11 61 62 CONECT 11 10 12 63 64 CONECT 12 11 13 65 CONECT 13 5 12 31 14 CONECT 14 15 13 66 67 CONECT 15 16 14 CONECT 16 34 17 15 68 CONECT 17 18 16 27 CONECT 18 17 23 19 CONECT 19 18 20 CONECT 20 19 22 21 CONECT 21 20 69 70 71 CONECT 22 20 CONECT 23 18 25 24 CONECT 24 23 72 73 74 CONECT 25 23 26 54 CONECT 26 27 25 52 CONECT 27 28 26 17 CONECT 28 33 27 29 75 CONECT 29 28 30 76 77 CONECT 30 29 31 CONECT 31 13 30 32 CONECT 32 31 CONECT 33 34 48 28 CONECT 34 16 33 35 78 CONECT 35 79 36 50 34 CONECT 36 44 37 35 CONECT 37 38 36 46 CONECT 38 37 39 80 CONECT 39 38 41 40 CONECT 40 39 81 82 83 CONECT 41 39 42 44 CONECT 42 41 43 CONECT 43 42 84 85 86 CONECT 44 36 41 45 CONECT 45 44 87 CONECT 46 37 47 88 89 CONECT 47 48 90 50 46 CONECT 48 47 33 49 91 CONECT 49 48 92 CONECT 50 51 35 47 CONECT 51 50 93 94 95 CONECT 52 53 26 CONECT 53 54 52 96 97 CONECT 54 25 53 CONECT 55 1 CONECT 56 1 CONECT 57 1 CONECT 58 4 CONECT 59 7 CONECT 60 9 CONECT 61 10 CONECT 62 10 CONECT 63 11 CONECT 64 11 CONECT 65 12 CONECT 66 14 CONECT 67 14 CONECT 68 16 CONECT 69 21 CONECT 70 21 CONECT 71 21 CONECT 72 24 CONECT 73 24 CONECT 74 24 CONECT 75 28 CONECT 76 29 CONECT 77 29 CONECT 78 34 CONECT 79 35 CONECT 80 38 CONECT 81 40 CONECT 82 40 CONECT 83 40 CONECT 84 43 CONECT 85 43 CONECT 86 43 CONECT 87 45 CONECT 88 46 CONECT 89 46 CONECT 90 47 CONECT 91 48 CONECT 92 49 CONECT 93 51 CONECT 94 51 CONECT 95 51 CONECT 96 53 CONECT 97 53 MASTER 0 0 0 0 0 0 0 0 97 0 210 0 END