HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -8.000 -1.611 -2.102 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.939 -0.812 -0.771 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.712 -1.873 0.279 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.018 -2.678 0.385 0.00 0.00 C+0 HETATM 5 C UNK 0 -9.994 -1.841 1.141 0.00 0.00 C+0 HETATM 6 O UNK 0 -9.777 -2.047 2.515 0.00 0.00 O+0 HETATM 7 C UNK 0 -9.935 -0.409 0.744 0.00 0.00 C+0 HETATM 8 C UNK 0 -9.373 0.412 1.857 0.00 0.00 C+0 HETATM 9 C UNK 0 -11.363 0.037 0.540 0.00 0.00 C+0 HETATM 10 O UNK 0 -12.281 -0.845 0.610 0.00 0.00 O+0 HETATM 11 O UNK 0 -11.750 1.315 0.284 0.00 0.00 O+0 HETATM 12 C UNK 0 -9.254 -0.153 -0.595 0.00 0.00 C+0 HETATM 13 C UNK 0 -9.354 1.288 -0.901 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.202 1.941 -1.581 0.00 0.00 C+0 HETATM 15 C UNK 0 -6.905 1.334 -1.302 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.784 2.116 -1.454 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.509 1.654 -1.214 0.00 0.00 C+0 HETATM 18 N UNK 0 -3.279 2.222 -1.315 0.00 0.00 N+0 HETATM 19 C UNK 0 -2.336 1.320 -0.980 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.953 1.359 -0.920 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.290 0.221 -0.536 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.958 -0.942 -0.214 0.00 0.00 C+0 HETATM 23 S UNK 0 -0.016 -2.378 0.222 0.00 0.00 S+0 HETATM 24 O UNK 0 -0.962 -3.321 0.903 0.00 0.00 O+0 HETATM 25 O UNK 0 0.651 -2.981 -0.960 0.00 0.00 O+0 HETATM 26 C UNK 0 1.166 -1.911 1.460 0.00 0.00 C+0 HETATM 27 C UNK 0 0.897 -1.939 2.805 0.00 0.00 C+0 HETATM 28 C UNK 0 1.835 -1.568 3.763 0.00 0.00 C+0 HETATM 29 C UNK 0 3.094 -1.153 3.340 0.00 0.00 C+0 HETATM 30 N UNK 0 4.204 -0.735 3.950 0.00 0.00 N+0 HETATM 31 C UNK 0 5.162 -0.445 3.021 0.00 0.00 C+0 HETATM 32 C UNK 0 6.438 0.015 3.143 0.00 0.00 C+0 HETATM 33 C UNK 0 7.210 0.236 1.986 0.00 0.00 C+0 HETATM 34 C UNK 0 6.708 -0.001 0.744 0.00 0.00 C+0 HETATM 35 C UNK 0 5.415 -0.467 0.623 0.00 0.00 C+0 HETATM 36 C UNK 0 4.644 -0.688 1.774 0.00 0.00 C+0 HETATM 37 C UNK 0 3.344 -1.133 1.986 0.00 0.00 C+0 HETATM 38 C UNK 0 2.425 -1.496 1.058 0.00 0.00 C+0 HETATM 39 C UNK 0 7.511 0.259 -0.506 0.00 0.00 C+0 HETATM 40 C UNK 0 7.285 -0.952 -1.390 0.00 0.00 C+0 HETATM 41 C UNK 0 6.981 1.467 -1.218 0.00 0.00 C+0 HETATM 42 C UNK 0 7.982 2.296 -1.922 0.00 0.00 C+0 HETATM 43 C UNK 0 9.136 1.477 -2.388 0.00 0.00 C+0 HETATM 44 O UNK 0 9.997 2.358 -3.070 0.00 0.00 O+0 HETATM 45 C UNK 0 9.854 0.789 -1.240 0.00 0.00 C+0 HETATM 46 C UNK 0 10.627 -0.422 -1.771 0.00 0.00 C+0 HETATM 47 C UNK 0 10.849 1.777 -0.756 0.00 0.00 C+0 HETATM 48 O UNK 0 12.067 1.401 -0.649 0.00 0.00 O+0 HETATM 49 O UNK 0 10.592 3.075 -0.407 0.00 0.00 O+0 HETATM 50 C UNK 0 8.946 0.411 -0.131 0.00 0.00 C+0 HETATM 51 C UNK 0 9.146 1.350 1.033 0.00 0.00 C+0 HETATM 52 C UNK 0 8.585 0.731 2.267 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.319 -0.979 -0.273 0.00 0.00 C+0 HETATM 54 C UNK 0 -3.003 0.159 -0.660 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.366 0.348 -0.802 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.509 -0.452 -0.646 0.00 0.00 C+0 HETATM 57 C UNK 0 -6.766 0.032 -0.894 0.00 0.00 C+0 HETATM 58 H UNK 0 -7.426 -2.537 -1.999 0.00 0.00 H+0 HETATM 59 H UNK 0 -9.069 -1.853 -2.280 0.00 0.00 H+0 HETATM 60 H UNK 0 -7.619 -0.997 -2.942 0.00 0.00 H+0 HETATM 61 H UNK 0 -6.911 -2.575 0.019 0.00 0.00 H+0 HETATM 62 H UNK 0 -7.572 -1.382 1.255 0.00 0.00 H+0 HETATM 63 H UNK 0 -9.369 -2.997 -0.619 0.00 0.00 H+0 HETATM 64 H UNK 0 -8.767 -3.624 0.953 0.00 0.00 H+0 HETATM 65 H UNK 0 -11.010 -2.287 0.957 0.00 0.00 H+0 HETATM 66 H UNK 0 -9.212 -2.839 2.686 0.00 0.00 H+0 HETATM 67 H UNK 0 -9.272 -0.227 2.757 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.365 0.840 1.663 0.00 0.00 H+0 HETATM 69 H UNK 0 -10.105 1.194 2.145 0.00 0.00 H+0 HETATM 70 H UNK 0 -12.694 1.626 0.421 0.00 0.00 H+0 HETATM 71 H UNK 0 -9.972 -0.667 -1.320 0.00 0.00 H+0 HETATM 72 H UNK 0 -9.512 1.849 0.070 0.00 0.00 H+0 HETATM 73 H UNK 0 -10.296 1.522 -1.495 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.148 3.047 -1.368 0.00 0.00 H+0 HETATM 75 H UNK 0 -8.361 1.872 -2.687 0.00 0.00 H+0 HETATM 76 H UNK 0 -5.863 3.171 -1.781 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.107 3.191 -1.601 0.00 0.00 H+0 HETATM 78 H UNK 0 -0.446 2.283 -1.174 0.00 0.00 H+0 HETATM 79 H UNK 0 0.795 0.210 -0.478 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.101 -2.264 3.115 0.00 0.00 H+0 HETATM 81 H UNK 0 1.636 -1.585 4.806 0.00 0.00 H+0 HETATM 82 H UNK 0 4.303 -0.651 4.967 0.00 0.00 H+0 HETATM 83 H UNK 0 6.830 0.199 4.118 0.00 0.00 H+0 HETATM 84 H UNK 0 4.961 -0.674 -0.312 0.00 0.00 H+0 HETATM 85 H UNK 0 2.658 -1.471 0.003 0.00 0.00 H+0 HETATM 86 H UNK 0 6.413 -0.804 -2.092 0.00 0.00 H+0 HETATM 87 H UNK 0 6.977 -1.841 -0.781 0.00 0.00 H+0 HETATM 88 H UNK 0 8.161 -1.247 -1.985 0.00 0.00 H+0 HETATM 89 H UNK 0 6.224 1.099 -1.973 0.00 0.00 H+0 HETATM 90 H UNK 0 6.361 2.107 -0.541 0.00 0.00 H+0 HETATM 91 H UNK 0 7.494 2.706 -2.857 0.00 0.00 H+0 HETATM 92 H UNK 0 8.296 3.218 -1.377 0.00 0.00 H+0 HETATM 93 H UNK 0 8.859 0.711 -3.123 0.00 0.00 H+0 HETATM 94 H UNK 0 10.752 1.798 -3.380 0.00 0.00 H+0 HETATM 95 H UNK 0 11.717 -0.227 -1.774 0.00 0.00 H+0 HETATM 96 H UNK 0 10.345 -0.585 -2.830 0.00 0.00 H+0 HETATM 97 H UNK 0 10.464 -1.321 -1.155 0.00 0.00 H+0 HETATM 98 H UNK 0 11.167 3.590 0.230 0.00 0.00 H+0 HETATM 99 H UNK 0 9.296 -0.604 0.238 0.00 0.00 H+0 HETATM 100 H UNK 0 10.254 1.434 1.195 0.00 0.00 H+0 HETATM 101 H UNK 0 8.785 2.380 0.830 0.00 0.00 H+0 HETATM 102 H UNK 0 8.539 1.468 3.122 0.00 0.00 H+0 HETATM 103 H UNK 0 9.246 -0.097 2.607 0.00 0.00 H+0 HETATM 104 H UNK 0 -2.867 -1.856 -0.034 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.313 -1.467 -0.315 0.00 0.00 H+0 CONECT 1 2 58 59 60 CONECT 2 1 3 12 57 CONECT 3 2 4 61 62 CONECT 4 3 5 63 64 CONECT 5 4 6 7 65 CONECT 6 5 66 CONECT 7 5 8 9 12 CONECT 8 7 67 68 69 CONECT 9 7 10 11 CONECT 10 9 CONECT 11 9 70 CONECT 12 7 13 2 71 CONECT 13 12 14 72 73 CONECT 14 13 15 74 75 CONECT 15 14 16 57 CONECT 16 15 17 76 CONECT 17 16 18 55 CONECT 18 17 19 77 CONECT 19 18 20 54 CONECT 20 19 21 78 CONECT 21 20 22 79 CONECT 22 21 23 53 CONECT 23 22 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 27 38 CONECT 27 26 28 80 CONECT 28 27 29 81 CONECT 29 28 30 37 CONECT 30 29 31 82 CONECT 31 30 32 36 CONECT 32 31 33 83 CONECT 33 32 34 52 CONECT 34 33 35 39 CONECT 35 34 36 84 CONECT 36 35 37 31 CONECT 37 36 38 29 CONECT 38 37 26 85 CONECT 39 34 40 41 50 CONECT 40 39 86 87 88 CONECT 41 39 42 89 90 CONECT 42 41 43 91 92 CONECT 43 42 44 45 93 CONECT 44 43 94 CONECT 45 43 46 47 50 CONECT 46 45 95 96 97 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 98 CONECT 50 45 51 39 99 CONECT 51 50 52 100 101 CONECT 52 51 33 102 103 CONECT 53 22 54 104 CONECT 54 53 55 19 CONECT 55 54 56 17 CONECT 56 55 57 105 CONECT 57 56 15 2 CONECT 58 1 CONECT 59 1 CONECT 60 1 CONECT 61 3 CONECT 62 3 CONECT 63 4 CONECT 64 4 CONECT 65 5 CONECT 66 6 CONECT 67 8 CONECT 68 8 CONECT 69 8 CONECT 70 11 CONECT 71 12 CONECT 72 13 CONECT 73 13 CONECT 74 14 CONECT 75 14 CONECT 76 16 CONECT 77 18 CONECT 78 20 CONECT 79 21 CONECT 80 27 CONECT 81 28 CONECT 82 30 CONECT 83 32 CONECT 84 35 CONECT 85 38 CONECT 86 40 CONECT 87 40 CONECT 88 40 CONECT 89 41 CONECT 90 41 CONECT 91 42 CONECT 92 42 CONECT 93 43 CONECT 94 44 CONECT 95 46 CONECT 96 46 CONECT 97 46 CONECT 98 49 CONECT 99 50 CONECT 100 51 CONECT 101 51 CONECT 102 52 CONECT 103 52 CONECT 104 53 CONECT 105 56 MASTER 0 0 0 0 0 0 0 0 105 0 228 0 END