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 5.072 -0.365 -3.724 0.00 0.00 C+0 HETATM 2 C UNK 0 4.469 -0.172 -2.546 0.00 0.00 C+0 HETATM 3 N UNK 0 3.143 -0.444 -2.252 0.00 0.00 N+0 HETATM 4 C UNK 0 2.141 -0.962 -3.043 0.00 0.00 C+0 HETATM 5 O UNK 0 2.257 -1.283 -4.224 0.00 0.00 O+0 HETATM 6 C UNK 0 0.807 -1.170 -2.269 0.00 0.00 C+0 HETATM 7 C UNK 0 0.866 -2.474 -1.436 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.299 -2.569 -0.447 0.00 0.00 C+0 HETATM 9 C UNK 0 0.914 -3.740 -2.298 0.00 0.00 C+0 HETATM 10 N UNK 0 -0.275 -1.163 -3.248 0.00 0.00 N+0 HETATM 11 C UNK 0 -1.477 -0.530 -3.250 0.00 0.00 C+0 HETATM 12 O UNK 0 -2.180 -0.644 -4.261 0.00 0.00 O+0 HETATM 13 C UNK 0 -1.935 0.344 -2.051 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.244 1.735 -2.127 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.840 2.632 -3.225 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.268 2.493 -0.786 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.292 1.925 0.236 0.00 0.00 C+0 HETATM 18 N UNK 0 -3.392 0.433 -2.207 0.00 0.00 N+0 HETATM 19 C UNK 0 -4.460 0.237 -1.382 0.00 0.00 C+0 HETATM 20 O UNK 0 -5.570 0.270 -1.916 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.305 0.024 0.055 0.00 0.00 C+0 HETATM 22 N UNK 0 -3.136 0.202 0.787 0.00 0.00 N+0 HETATM 23 C UNK 0 -3.502 0.055 2.049 0.00 0.00 C+0 HETATM 24 O UNK 0 -4.822 -0.272 2.198 0.00 0.00 O+0 HETATM 25 C UNK 0 -5.329 -0.315 0.929 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.737 -0.684 0.853 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.648 -0.206 1.808 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.996 -0.569 1.758 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.451 -1.420 0.754 0.00 0.00 C+0 HETATM 30 C UNK 0 -8.559 -1.908 -0.198 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.210 -1.545 -0.146 0.00 0.00 C+0 HETATM 32 C UNK 0 -2.571 0.260 3.288 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.000 0.193 4.590 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.943 0.482 5.399 0.00 0.00 O+0 HETATM 35 C UNK 0 -0.896 0.687 4.529 0.00 0.00 C+0 HETATM 36 N UNK 0 -1.235 0.556 3.256 0.00 0.00 N+0 HETATM 37 C UNK 0 0.565 1.040 4.992 0.00 0.00 C+0 HETATM 38 C UNK 0 0.937 1.249 6.303 0.00 0.00 C+0 HETATM 39 S UNK 0 2.620 1.619 6.372 0.00 0.00 S+0 HETATM 40 C UNK 0 2.720 1.424 4.676 0.00 0.00 C+0 HETATM 41 N UNK 0 1.583 1.153 4.074 0.00 0.00 N+0 HETATM 42 C UNK 0 4.019 1.509 3.817 0.00 0.00 C+0 HETATM 43 C UNK 0 5.308 1.795 4.188 0.00 0.00 C+0 HETATM 44 O UNK 0 6.100 1.700 3.069 0.00 0.00 O+0 HETATM 45 C UNK 0 5.226 1.342 2.071 0.00 0.00 C+0 HETATM 46 N UNK 0 3.979 1.248 2.478 0.00 0.00 N+0 HETATM 47 C UNK 0 5.563 1.015 0.592 0.00 0.00 C+0 HETATM 48 C UNK 0 6.764 1.041 -0.057 0.00 0.00 C+0 HETATM 49 O UNK 0 6.549 0.625 -1.345 0.00 0.00 O+0 HETATM 50 C UNK 0 5.191 0.350 -1.418 0.00 0.00 C+0 HETATM 51 N UNK 0 4.582 0.598 -0.269 0.00 0.00 N+0 HETATM 52 H UNK 0 6.122 -0.129 -3.872 0.00 0.00 H+0 HETATM 53 H UNK 0 4.547 -0.761 -4.585 0.00 0.00 H+0 HETATM 54 H UNK 0 2.902 -0.211 -1.286 0.00 0.00 H+0 HETATM 55 H UNK 0 0.677 -0.320 -1.593 0.00 0.00 H+0 HETATM 56 H UNK 0 1.789 -2.455 -0.840 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.262 -2.638 -0.963 0.00 0.00 H+0 HETATM 58 H UNK 0 -0.197 -3.457 0.185 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.321 -1.696 0.213 0.00 0.00 H+0 HETATM 60 H UNK 0 1.013 -4.630 -1.666 0.00 0.00 H+0 HETATM 61 H UNK 0 0.004 -3.859 -2.895 0.00 0.00 H+0 HETATM 62 H UNK 0 1.771 -3.728 -2.978 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.074 -1.635 -4.127 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.695 -0.191 -1.133 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.191 1.592 -2.400 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.249 3.549 -3.331 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.836 2.129 -4.197 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.868 2.930 -2.992 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.991 3.542 -0.952 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.281 2.505 -0.370 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.508 0.881 0.475 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.342 2.501 1.165 0.00 0.00 H+0 HETATM 73 H UNK 0 0.737 1.980 -0.137 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.694 0.504 -3.176 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.314 0.463 2.598 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.691 -0.185 2.501 0.00 0.00 H+0 HETATM 77 H UNK 0 -10.500 -1.700 0.709 0.00 0.00 H+0 HETATM 78 H UNK 0 -8.910 -2.568 -0.986 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.536 -1.943 -0.902 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.944 -0.005 5.075 0.00 0.00 H+0 HETATM 81 H UNK 0 0.327 1.217 7.195 0.00 0.00 H+0 HETATM 82 H UNK 0 5.809 2.052 5.109 0.00 0.00 H+0 HETATM 83 H UNK 0 7.780 1.291 0.207 0.00 0.00 H+0 CONECT 1 2 52 53 CONECT 2 1 3 50 CONECT 3 2 4 54 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 10 4 7 55 CONECT 7 8 9 6 56 CONECT 8 7 57 58 59 CONECT 9 7 60 61 62 CONECT 10 6 11 63 CONECT 11 10 13 12 CONECT 12 11 CONECT 13 11 14 18 64 CONECT 14 13 15 16 65 CONECT 15 14 66 67 68 CONECT 16 14 17 69 70 CONECT 17 16 71 72 73 CONECT 18 13 19 74 CONECT 19 18 21 20 CONECT 20 19 CONECT 21 22 25 19 CONECT 22 23 21 CONECT 23 32 22 24 CONECT 24 25 23 CONECT 25 21 24 26 CONECT 26 27 31 25 CONECT 27 26 28 75 CONECT 28 27 29 76 CONECT 29 28 30 77 CONECT 30 29 31 78 CONECT 31 30 26 79 CONECT 32 36 33 23 CONECT 33 32 34 80 CONECT 34 33 35 CONECT 35 37 36 34 CONECT 36 35 32 CONECT 37 41 38 35 CONECT 38 37 39 81 CONECT 39 38 40 CONECT 40 39 41 42 CONECT 41 37 40 CONECT 42 46 40 43 CONECT 43 42 44 82 CONECT 44 43 45 CONECT 45 46 47 44 CONECT 46 45 42 CONECT 47 45 51 48 CONECT 48 49 47 83 CONECT 49 48 50 CONECT 50 49 51 2 CONECT 51 50 47 CONECT 52 1 CONECT 53 1 CONECT 54 3 CONECT 55 6 CONECT 56 7 CONECT 57 8 CONECT 58 8 CONECT 59 8 CONECT 60 9 CONECT 61 9 CONECT 62 9 CONECT 63 10 CONECT 64 13 CONECT 65 14 CONECT 66 15 CONECT 67 15 CONECT 68 15 CONECT 69 16 CONECT 70 16 CONECT 71 17 CONECT 72 17 CONECT 73 17 CONECT 74 18 CONECT 75 27 CONECT 76 28 CONECT 77 29 CONECT 78 30 CONECT 79 31 CONECT 80 33 CONECT 81 38 CONECT 82 43 CONECT 83 48 MASTER 0 0 0 0 0 0 0 0 83 0 178 0 END