HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -1.664 1.497 -5.327 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.712 -0.023 -5.237 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.103 -0.555 -3.933 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.350 -2.053 -3.780 0.00 0.00 C+0 HETATM 5 C UNK 0 0.395 -0.308 -3.873 0.00 0.00 C+0 HETATM 6 O UNK 0 1.149 -0.321 -4.835 0.00 0.00 O+0 HETATM 7 O UNK 0 0.758 -0.066 -2.586 0.00 0.00 O+0 HETATM 8 C UNK 0 2.171 0.120 -2.310 0.00 0.00 C+0 HETATM 9 C UNK 0 2.659 -1.102 -1.507 0.00 0.00 C+0 HETATM 10 O UNK 0 2.382 -2.383 -2.119 0.00 0.00 O+0 HETATM 11 C UNK 0 1.902 -3.294 -1.085 0.00 0.00 C+0 HETATM 12 C UNK 0 2.168 -2.614 0.274 0.00 0.00 C+0 HETATM 13 C UNK 0 3.599 -2.986 0.710 0.00 0.00 C+0 HETATM 14 C UNK 0 1.177 -2.900 1.426 0.00 0.00 C+0 HETATM 15 O UNK 0 -0.160 -2.924 0.884 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.131 -3.524 1.619 0.00 0.00 C+0 HETATM 17 O UNK 0 -0.962 -4.040 2.716 0.00 0.00 O+0 HETATM 18 C UNK 0 -2.457 -3.517 0.879 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.406 -4.544 -0.248 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.809 -2.101 0.395 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.217 -1.992 -0.171 0.00 0.00 C+0 HETATM 22 C UNK 0 1.294 -1.801 2.524 0.00 0.00 C+0 HETATM 23 C UNK 0 1.191 -0.335 2.012 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.173 -0.081 1.671 0.00 0.00 O+0 HETATM 25 C UNK 0 2.133 -0.017 0.790 0.00 0.00 C+0 HETATM 26 C UNK 0 3.577 0.113 1.321 0.00 0.00 C+0 HETATM 27 C UNK 0 1.675 1.268 -0.035 0.00 0.00 C+0 HETATM 28 C UNK 0 1.602 2.569 0.802 0.00 0.00 C+0 HETATM 29 C UNK 0 1.495 3.868 -0.013 0.00 0.00 C+0 HETATM 30 C UNK 0 0.874 3.699 -1.410 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.616 3.276 -1.314 0.00 0.00 C+0 HETATM 32 C UNK 0 1.666 2.640 -2.187 0.00 0.00 C+0 HETATM 33 C UNK 0 1.783 2.930 -3.494 0.00 0.00 C+0 HETATM 34 C UNK 0 1.261 4.296 -3.676 0.00 0.00 C+0 HETATM 35 O UNK 0 1.157 4.808 -4.782 0.00 0.00 O+0 HETATM 36 C UNK 0 1.029 4.973 -2.325 0.00 0.00 C+0 HETATM 37 O UNK 0 2.261 5.666 -2.047 0.00 0.00 O+0 HETATM 38 C UNK 0 -0.106 5.955 -2.289 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.354 6.925 -1.267 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.493 7.602 -1.631 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.967 7.126 -2.808 0.00 0.00 O+0 HETATM 42 C UNK 0 -1.124 6.140 -3.206 0.00 0.00 C+0 HETATM 43 C UNK 0 2.331 1.450 -1.468 0.00 0.00 C+0 HETATM 44 C UNK 0 3.835 1.813 -1.379 0.00 0.00 C+0 HETATM 45 C UNK 0 1.940 -1.183 -0.185 0.00 0.00 C+0 HETATM 46 H UNK 0 -0.634 1.866 -5.342 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.182 1.957 -4.479 0.00 0.00 H+0 HETATM 48 H UNK 0 -2.154 1.835 -6.246 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.196 -0.449 -6.106 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.760 -0.338 -5.304 0.00 0.00 H+0 HETATM 51 H UNK 0 -1.577 -0.030 -3.094 0.00 0.00 H+0 HETATM 52 H UNK 0 -0.890 -2.618 -4.598 0.00 0.00 H+0 HETATM 53 H UNK 0 -0.922 -2.425 -2.843 0.00 0.00 H+0 HETATM 54 H UNK 0 -2.422 -2.274 -3.770 0.00 0.00 H+0 HETATM 55 H UNK 0 2.745 0.181 -3.242 0.00 0.00 H+0 HETATM 56 H UNK 0 3.745 -1.050 -1.392 0.00 0.00 H+0 HETATM 57 H UNK 0 0.838 -3.457 -1.283 0.00 0.00 H+0 HETATM 58 H UNK 0 2.414 -4.254 -1.201 0.00 0.00 H+0 HETATM 59 H UNK 0 3.890 -2.535 1.660 0.00 0.00 H+0 HETATM 60 H UNK 0 4.352 -2.712 -0.034 0.00 0.00 H+0 HETATM 61 H UNK 0 3.676 -4.072 0.852 0.00 0.00 H+0 HETATM 62 H UNK 0 1.394 -3.886 1.857 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.218 -3.831 1.605 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.395 -4.700 -0.689 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.723 -4.229 -1.044 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.052 -5.513 0.123 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.716 -1.401 1.234 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.095 -1.766 -0.368 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.328 -2.581 -1.086 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.441 -0.949 -0.419 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.961 -2.334 0.556 0.00 0.00 H+0 HETATM 72 H UNK 0 0.501 -1.956 3.265 0.00 0.00 H+0 HETATM 73 H UNK 0 2.243 -1.929 3.054 0.00 0.00 H+0 HETATM 74 H UNK 0 1.431 0.347 2.838 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.706 -0.202 2.476 0.00 0.00 H+0 HETATM 76 H UNK 0 3.842 1.144 1.567 0.00 0.00 H+0 HETATM 77 H UNK 0 4.325 -0.252 0.616 0.00 0.00 H+0 HETATM 78 H UNK 0 3.729 -0.449 2.248 0.00 0.00 H+0 HETATM 79 H UNK 0 0.627 1.049 -0.268 0.00 0.00 H+0 HETATM 80 H UNK 0 0.726 2.506 1.460 0.00 0.00 H+0 HETATM 81 H UNK 0 2.459 2.669 1.473 0.00 0.00 H+0 HETATM 82 H UNK 0 0.931 4.609 0.567 0.00 0.00 H+0 HETATM 83 H UNK 0 2.509 4.278 -0.098 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.196 4.008 -0.742 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.773 2.317 -0.819 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.074 3.184 -2.307 0.00 0.00 H+0 HETATM 87 H UNK 0 2.283 2.388 -4.279 0.00 0.00 H+0 HETATM 88 H UNK 0 2.334 6.355 -2.735 0.00 0.00 H+0 HETATM 89 H UNK 0 0.234 7.101 -0.377 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.062 8.407 -1.188 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.376 5.673 -4.150 0.00 0.00 H+0 HETATM 92 H UNK 0 4.019 2.647 -0.696 0.00 0.00 H+0 HETATM 93 H UNK 0 4.233 2.105 -2.359 0.00 0.00 H+0 HETATM 94 H UNK 0 4.459 0.983 -1.052 0.00 0.00 H+0 HETATM 95 H UNK 0 0.867 -1.150 -0.441 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 49 50 CONECT 3 5 2 4 51 CONECT 4 3 52 53 54 CONECT 5 3 7 6 CONECT 6 5 CONECT 7 5 8 CONECT 8 9 7 43 55 CONECT 9 45 10 8 56 CONECT 10 9 11 CONECT 11 12 10 57 58 CONECT 12 14 45 13 11 CONECT 13 12 59 60 61 CONECT 14 22 12 15 62 CONECT 15 16 14 CONECT 16 17 15 18 CONECT 17 16 CONECT 18 19 16 20 63 CONECT 19 18 64 65 66 CONECT 20 18 21 67 68 CONECT 21 20 69 70 71 CONECT 22 14 23 72 73 CONECT 23 22 25 24 74 CONECT 24 23 75 CONECT 25 23 45 26 27 CONECT 26 25 76 77 78 CONECT 27 28 25 79 43 CONECT 28 27 29 80 81 CONECT 29 30 28 82 83 CONECT 30 29 32 36 31 CONECT 31 30 84 85 86 CONECT 32 43 30 33 CONECT 33 32 34 87 CONECT 34 33 36 35 CONECT 35 34 CONECT 36 34 30 38 37 CONECT 37 36 88 CONECT 38 36 42 39 CONECT 39 40 38 89 CONECT 40 41 39 90 CONECT 41 42 40 CONECT 42 38 41 91 CONECT 43 32 44 8 27 CONECT 44 43 92 93 94 CONECT 45 12 25 9 95 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 2 CONECT 51 3 CONECT 52 4 CONECT 53 4 CONECT 54 4 CONECT 55 8 CONECT 56 9 CONECT 57 11 CONECT 58 11 CONECT 59 13 CONECT 60 13 CONECT 61 13 CONECT 62 14 CONECT 63 18 CONECT 64 19 CONECT 65 19 CONECT 66 19 CONECT 67 20 CONECT 68 20 CONECT 69 21 CONECT 70 21 CONECT 71 21 CONECT 72 22 CONECT 73 22 CONECT 74 23 CONECT 75 24 CONECT 76 26 CONECT 77 26 CONECT 78 26 CONECT 79 27 CONECT 80 28 CONECT 81 28 CONECT 82 29 CONECT 83 29 CONECT 84 31 CONECT 85 31 CONECT 86 31 CONECT 87 33 CONECT 88 37 CONECT 89 39 CONECT 90 40 CONECT 91 42 CONECT 92 44 CONECT 93 44 CONECT 94 44 CONECT 95 45 MASTER 0 0 0 0 0 0 0 0 95 0 200 0 END