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 9.553 -0.605 -1.233 0.00 0.00 C+0 HETATM 2 C UNK 0 8.609 -0.400 -0.111 0.00 0.00 C+0 HETATM 3 O UNK 0 9.000 -0.784 1.030 0.00 0.00 O+0 HETATM 4 N UNK 0 7.336 0.192 -0.291 0.00 0.00 N+0 HETATM 5 C UNK 0 6.428 0.392 0.788 0.00 0.00 C+0 HETATM 6 N UNK 0 6.839 -0.032 2.081 0.00 0.00 N+0 HETATM 7 N UNK 0 5.271 0.938 0.584 0.00 0.00 N+0 HETATM 8 C UNK 0 4.335 1.153 1.651 0.00 0.00 C+0 HETATM 9 C UNK 0 2.965 0.562 1.402 0.00 0.00 C+0 HETATM 10 C UNK 0 2.416 1.182 0.167 0.00 0.00 C+0 HETATM 11 C UNK 0 1.011 0.680 -0.178 0.00 0.00 C+0 HETATM 12 N UNK 0 0.080 0.963 0.853 0.00 0.00 N+0 HETATM 13 C UNK 0 -1.157 1.629 0.690 0.00 0.00 C+0 HETATM 14 O UNK 0 -1.867 1.827 1.727 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.720 2.132 -0.590 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.665 3.277 -0.326 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.026 4.452 0.354 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.929 5.059 -0.459 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.480 5.516 -1.759 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.768 4.687 -2.650 0.00 0.00 O+0 HETATM 21 O UNK 0 -1.666 6.884 -1.956 0.00 0.00 O+0 HETATM 22 N UNK 0 -2.138 1.148 -1.525 0.00 0.00 N+0 HETATM 23 C UNK 0 -3.313 0.446 -1.825 0.00 0.00 C+0 HETATM 24 O UNK 0 -3.907 0.848 -2.909 0.00 0.00 O+0 HETATM 25 C UNK 0 -3.985 -0.670 -1.131 0.00 0.00 C+0 HETATM 26 C UNK 0 -4.267 -0.432 0.328 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.175 0.703 0.613 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.875 1.539 -0.223 0.00 0.00 C+0 HETATM 29 N UNK 0 -6.531 2.403 0.564 0.00 0.00 N+0 HETATM 30 C UNK 0 -6.251 2.117 1.870 0.00 0.00 C+0 HETATM 31 N UNK 0 -5.414 1.068 1.904 0.00 0.00 N+0 HETATM 32 N UNK 0 -3.516 -1.985 -1.422 0.00 0.00 N+0 HETATM 33 C UNK 0 -2.295 -2.521 -1.890 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.458 -2.460 -2.799 0.00 0.00 O+0 HETATM 35 C UNK 0 -2.039 -3.535 -0.769 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.339 -4.315 -0.927 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.346 -3.223 -1.226 0.00 0.00 C+0 HETATM 38 O UNK 0 -5.241 -3.155 -0.229 0.00 0.00 O+0 HETATM 39 N UNK 0 -1.944 -2.904 0.502 0.00 0.00 N+0 HETATM 40 C UNK 0 -0.873 -2.336 1.177 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.228 -1.499 2.107 0.00 0.00 O+0 HETATM 42 C UNK 0 0.569 -2.505 1.042 0.00 0.00 C+0 HETATM 43 C UNK 0 0.965 -3.976 1.094 0.00 0.00 C+0 HETATM 44 C UNK 0 1.702 -4.197 -0.170 0.00 0.00 C+0 HETATM 45 C UNK 0 2.343 -2.886 -0.431 0.00 0.00 C+0 HETATM 46 N UNK 0 1.259 -1.913 -0.064 0.00 0.00 N+0 HETATM 47 C UNK 0 1.052 -0.691 -0.707 0.00 0.00 C+0 HETATM 48 O UNK 0 0.869 -0.788 -1.984 0.00 0.00 O+0 HETATM 49 H UNK 0 10.424 0.072 -1.028 0.00 0.00 H+0 HETATM 50 H UNK 0 9.954 -1.654 -1.266 0.00 0.00 H+0 HETATM 51 H UNK 0 9.094 -0.392 -2.213 0.00 0.00 H+0 HETATM 52 H UNK 0 7.069 0.488 -1.257 0.00 0.00 H+0 HETATM 53 H UNK 0 7.371 0.571 2.734 0.00 0.00 H+0 HETATM 54 H UNK 0 6.597 -0.993 2.390 0.00 0.00 H+0 HETATM 55 H UNK 0 4.757 0.799 2.629 0.00 0.00 H+0 HETATM 56 H UNK 0 4.267 2.273 1.794 0.00 0.00 H+0 HETATM 57 H UNK 0 2.360 0.756 2.309 0.00 0.00 H+0 HETATM 58 H UNK 0 3.126 -0.525 1.210 0.00 0.00 H+0 HETATM 59 H UNK 0 2.450 2.289 0.197 0.00 0.00 H+0 HETATM 60 H UNK 0 3.056 0.869 -0.683 0.00 0.00 H+0 HETATM 61 H UNK 0 0.723 1.391 -1.016 0.00 0.00 H+0 HETATM 62 H UNK 0 0.324 0.668 1.846 0.00 0.00 H+0 HETATM 63 H UNK 0 -0.809 2.710 -1.013 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.407 2.876 0.422 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.230 3.583 -1.211 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.664 4.115 1.359 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.810 5.219 0.608 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.041 4.433 -0.618 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.536 5.948 0.119 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.158 7.422 -1.256 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.292 0.888 -2.198 0.00 0.00 H+0 HETATM 72 H UNK 0 -5.059 -0.662 -1.556 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.729 -1.293 0.850 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.341 -0.241 0.911 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.919 1.530 -1.292 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.673 2.687 2.687 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.058 0.667 2.784 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.226 -4.201 -0.942 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.223 -5.008 -1.760 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.594 -4.875 -0.007 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.826 -3.464 -2.216 0.00 0.00 H+0 HETATM 82 H UNK 0 -5.255 -4.012 0.280 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.905 -2.881 1.015 0.00 0.00 H+0 HETATM 84 H UNK 0 1.115 -2.083 1.954 0.00 0.00 H+0 HETATM 85 H UNK 0 1.522 -4.261 1.983 0.00 0.00 H+0 HETATM 86 H UNK 0 0.000 -4.557 1.082 0.00 0.00 H+0 HETATM 87 H UNK 0 1.102 -4.481 -1.038 0.00 0.00 H+0 HETATM 88 H UNK 0 2.471 -5.026 -0.082 0.00 0.00 H+0 HETATM 89 H UNK 0 3.204 -2.786 0.243 0.00 0.00 H+0 HETATM 90 H UNK 0 2.580 -2.843 -1.500 0.00 0.00 H+0 CONECT 1 2 49 50 51 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 52 CONECT 5 4 6 7 CONECT 6 5 53 54 CONECT 7 5 8 CONECT 8 7 9 55 56 CONECT 9 8 10 57 58 CONECT 10 9 11 59 60 CONECT 11 10 12 47 61 CONECT 12 11 13 62 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 22 63 CONECT 16 15 17 64 65 CONECT 17 16 18 66 67 CONECT 18 17 19 68 69 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 70 CONECT 22 15 23 71 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 32 72 CONECT 26 25 27 73 74 CONECT 27 26 28 31 CONECT 28 27 29 75 CONECT 29 28 30 CONECT 30 29 31 76 CONECT 31 30 27 77 CONECT 32 25 33 37 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 39 78 CONECT 36 35 37 79 80 CONECT 37 36 38 32 81 CONECT 38 37 82 CONECT 39 35 40 83 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 46 84 CONECT 43 42 44 85 86 CONECT 44 43 45 87 88 CONECT 45 44 46 89 90 CONECT 46 45 47 42 CONECT 47 46 48 11 CONECT 48 47 CONECT 49 1 CONECT 50 1 CONECT 51 1 CONECT 52 4 CONECT 53 6 CONECT 54 6 CONECT 55 8 CONECT 56 8 CONECT 57 9 CONECT 58 9 CONECT 59 10 CONECT 60 10 CONECT 61 11 CONECT 62 12 CONECT 63 15 CONECT 64 16 CONECT 65 16 CONECT 66 17 CONECT 67 17 CONECT 68 18 CONECT 69 18 CONECT 70 21 CONECT 71 22 CONECT 72 25 CONECT 73 26 CONECT 74 26 CONECT 75 28 CONECT 76 30 CONECT 77 31 CONECT 78 35 CONECT 79 36 CONECT 80 36 CONECT 81 37 CONECT 82 38 CONECT 83 39 CONECT 84 42 CONECT 85 43 CONECT 86 43 CONECT 87 44 CONECT 88 44 CONECT 89 45 CONECT 90 45 MASTER 0 0 0 0 0 0 0 0 90 0 186 0 END