HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -3.771 -2.833 -2.873 0.00 0.00 C+0 HETATM 2 O UNK 0 -3.666 -2.291 -1.600 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.668 -3.240 -0.587 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.852 -3.166 0.300 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.372 -1.992 0.585 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.799 -0.757 0.038 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.311 0.413 0.874 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.254 1.517 0.938 0.00 0.00 C+0 HETATM 9 S UNK 0 -4.091 2.307 -0.661 0.00 0.00 S+0 HETATM 10 C UNK 0 -5.576 3.188 -1.114 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.885 4.384 -0.245 0.00 0.00 C+0 HETATM 12 N UNK 0 -6.074 4.058 1.142 0.00 0.00 N+0 HETATM 13 C UNK 0 -7.130 5.025 -0.746 0.00 0.00 C+0 HETATM 14 O UNK 0 -7.229 5.413 -1.957 0.00 0.00 O+0 HETATM 15 O UNK 0 -8.207 5.211 0.097 0.00 0.00 O+0 HETATM 16 C UNK 0 -2.933 0.956 1.429 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.889 0.918 0.392 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.789 1.959 -0.342 0.00 0.00 O+0 HETATM 19 O UNK 0 -1.023 -0.104 0.133 0.00 0.00 O+0 HETATM 20 C UNK 0 -0.984 -1.367 0.727 0.00 0.00 C+0 HETATM 21 C UNK 0 0.331 -1.563 1.398 0.00 0.00 C+0 HETATM 22 C UNK 0 0.666 -2.785 2.181 0.00 0.00 C+0 HETATM 23 C UNK 0 1.269 -0.627 1.311 0.00 0.00 C+0 HETATM 24 C UNK 0 2.610 -0.724 1.942 0.00 0.00 C+0 HETATM 25 C UNK 0 2.868 0.435 2.884 0.00 0.00 C+0 HETATM 26 C UNK 0 3.642 -0.660 0.884 0.00 0.00 C+0 HETATM 27 O UNK 0 4.404 -1.596 0.758 0.00 0.00 O+0 HETATM 28 C UNK 0 3.792 0.495 -0.032 0.00 0.00 C+0 HETATM 29 C UNK 0 4.957 0.375 -0.983 0.00 0.00 C+0 HETATM 30 O UNK 0 4.784 -0.770 -1.741 0.00 0.00 O+0 HETATM 31 C UNK 0 6.232 0.464 -0.229 0.00 0.00 C+0 HETATM 32 C UNK 0 7.469 0.353 -1.085 0.00 0.00 C+0 HETATM 33 C UNK 0 7.599 1.398 -2.131 0.00 0.00 C+0 HETATM 34 C UNK 0 8.579 2.465 -1.830 0.00 0.00 C+0 HETATM 35 O UNK 0 8.954 3.208 -2.765 0.00 0.00 O+0 HETATM 36 N UNK 0 9.113 2.686 -0.537 0.00 0.00 N+0 HETATM 37 C UNK 0 8.999 1.620 0.395 0.00 0.00 C+0 HETATM 38 O UNK 0 9.182 1.773 1.622 0.00 0.00 O+0 HETATM 39 C UNK 0 8.650 0.279 -0.128 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.301 -2.407 -0.310 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.090 -3.195 -0.743 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.401 -3.310 0.202 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.887 -4.619 0.242 0.00 0.00 O+0 HETATM 44 H UNK 0 -4.733 -3.416 -2.968 0.00 0.00 H+0 HETATM 45 H UNK 0 -2.911 -3.496 -3.100 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.794 -1.994 -3.586 0.00 0.00 H+0 HETATM 47 H UNK 0 -3.759 -4.231 -1.129 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.274 -4.106 0.708 0.00 0.00 H+0 HETATM 49 H UNK 0 -6.235 -1.953 1.234 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.711 -0.699 0.088 0.00 0.00 H+0 HETATM 51 H UNK 0 -5.194 -0.598 -1.000 0.00 0.00 H+0 HETATM 52 H UNK 0 -5.479 0.087 1.933 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.220 0.809 0.424 0.00 0.00 H+0 HETATM 54 H UNK 0 -4.650 2.255 1.663 0.00 0.00 H+0 HETATM 55 H UNK 0 -5.466 3.553 -2.162 0.00 0.00 H+0 HETATM 56 H UNK 0 -6.488 2.551 -1.116 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.070 5.144 -0.297 0.00 0.00 H+0 HETATM 58 H UNK 0 -7.063 3.865 1.353 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.609 4.719 1.792 0.00 0.00 H+0 HETATM 60 H UNK 0 -8.793 4.494 0.470 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.118 0.018 1.948 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.556 1.672 2.219 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.744 -1.425 1.564 0.00 0.00 H+0 HETATM 64 H UNK 0 0.985 -2.539 3.221 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.205 -3.461 2.289 0.00 0.00 H+0 HETATM 66 H UNK 0 1.546 -3.287 1.705 0.00 0.00 H+0 HETATM 67 H UNK 0 1.034 0.260 0.742 0.00 0.00 H+0 HETATM 68 H UNK 0 2.749 -1.638 2.523 0.00 0.00 H+0 HETATM 69 H UNK 0 2.378 0.317 3.862 0.00 0.00 H+0 HETATM 70 H UNK 0 2.473 1.394 2.461 0.00 0.00 H+0 HETATM 71 H UNK 0 3.958 0.479 3.059 0.00 0.00 H+0 HETATM 72 H UNK 0 2.846 0.518 -0.650 0.00 0.00 H+0 HETATM 73 H UNK 0 3.879 1.462 0.491 0.00 0.00 H+0 HETATM 74 H UNK 0 4.844 1.299 -1.655 0.00 0.00 H+0 HETATM 75 H UNK 0 5.542 -0.970 -2.311 0.00 0.00 H+0 HETATM 76 H UNK 0 6.265 -0.304 0.561 0.00 0.00 H+0 HETATM 77 H UNK 0 6.224 1.444 0.314 0.00 0.00 H+0 HETATM 78 H UNK 0 7.422 -0.649 -1.583 0.00 0.00 H+0 HETATM 79 H UNK 0 6.644 1.910 -2.380 0.00 0.00 H+0 HETATM 80 H UNK 0 7.937 0.954 -3.116 0.00 0.00 H+0 HETATM 81 H UNK 0 9.579 3.599 -0.261 0.00 0.00 H+0 HETATM 82 H UNK 0 8.318 -0.377 0.716 0.00 0.00 H+0 HETATM 83 H UNK 0 9.537 -0.175 -0.607 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.709 -1.926 -1.242 0.00 0.00 H+0 HETATM 85 H UNK 0 0.788 -2.540 -0.742 0.00 0.00 H+0 HETATM 86 H UNK 0 0.042 -4.125 -0.151 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.203 -3.549 -1.810 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.637 -3.073 1.281 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.286 -5.163 0.950 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 CONECT 3 2 4 42 47 CONECT 4 3 5 48 CONECT 5 4 6 49 CONECT 6 5 7 50 51 CONECT 7 6 8 52 53 CONECT 8 7 9 16 54 CONECT 9 8 10 CONECT 10 9 11 55 56 CONECT 11 10 12 13 57 CONECT 12 11 58 59 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 60 CONECT 16 8 17 61 62 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 40 63 CONECT 21 20 22 23 CONECT 22 21 64 65 66 CONECT 23 21 24 67 CONECT 24 23 25 26 68 CONECT 25 24 69 70 71 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 72 73 CONECT 29 28 30 31 74 CONECT 30 29 75 CONECT 31 29 32 76 77 CONECT 32 31 33 39 78 CONECT 33 32 34 79 80 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 81 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 32 82 83 CONECT 40 20 41 42 84 CONECT 41 40 85 86 87 CONECT 42 40 43 3 88 CONECT 43 42 89 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 3 CONECT 48 4 CONECT 49 5 CONECT 50 6 CONECT 51 6 CONECT 52 7 CONECT 53 7 CONECT 54 8 CONECT 55 10 CONECT 56 10 CONECT 57 11 CONECT 58 12 CONECT 59 12 CONECT 60 15 CONECT 61 16 CONECT 62 16 CONECT 63 20 CONECT 64 22 CONECT 65 22 CONECT 66 22 CONECT 67 23 CONECT 68 24 CONECT 69 25 CONECT 70 25 CONECT 71 25 CONECT 72 28 CONECT 73 28 CONECT 74 29 CONECT 75 30 CONECT 76 31 CONECT 77 31 CONECT 78 32 CONECT 79 33 CONECT 80 33 CONECT 81 36 CONECT 82 39 CONECT 83 39 CONECT 84 40 CONECT 85 41 CONECT 86 41 CONECT 87 41 CONECT 88 42 CONECT 89 43 MASTER 0 0 0 0 0 0 0 0 89 0 180 0 END