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 -5.186 -2.417 -0.874 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.932 -1.385 -1.956 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.419 -0.050 -1.600 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.944 0.686 -0.445 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.618 1.201 -0.205 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.893 1.971 1.224 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.385 0.437 0.138 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.008 -0.570 -0.746 0.00 0.00 O+0 HETATM 9 C UNK 0 -1.821 -1.908 -0.568 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.045 -2.435 0.519 0.00 0.00 O+0 HETATM 11 C UNK 0 -1.322 -2.713 -1.704 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.842 -4.078 -1.407 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.804 -5.052 -0.832 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.953 -5.343 -1.726 0.00 0.00 C+0 HETATM 15 O UNK 0 -3.895 -6.098 -1.357 0.00 0.00 O+0 HETATM 16 O UNK 0 -3.081 -4.822 -3.011 0.00 0.00 O+0 HETATM 17 C UNK 0 0.345 -4.050 -0.499 0.00 0.00 C+0 HETATM 18 O UNK 0 1.490 -4.365 -0.910 0.00 0.00 O+0 HETATM 19 O UNK 0 0.158 -3.668 0.813 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.267 1.489 0.037 0.00 0.00 C+0 HETATM 21 C UNK 0 0.121 1.190 0.329 0.00 0.00 C+0 HETATM 22 C UNK 0 0.705 0.810 1.610 0.00 0.00 C+0 HETATM 23 C UNK 0 0.282 -0.448 2.220 0.00 0.00 C+0 HETATM 24 C UNK 0 2.219 0.961 1.546 0.00 0.00 C+0 HETATM 25 C UNK 0 3.004 0.656 2.722 0.00 0.00 C+0 HETATM 26 O UNK 0 4.403 1.039 2.314 0.00 0.00 O+0 HETATM 27 C UNK 0 3.268 -0.650 3.312 0.00 0.00 C+0 HETATM 28 C UNK 0 4.036 -1.706 2.635 0.00 0.00 C+0 HETATM 29 C UNK 0 3.567 -2.265 1.367 0.00 0.00 C+0 HETATM 30 C UNK 0 4.516 -3.381 0.880 0.00 0.00 C+0 HETATM 31 C UNK 0 5.891 -2.968 0.644 0.00 0.00 C+0 HETATM 32 O UNK 0 6.668 -4.115 0.195 0.00 0.00 O+0 HETATM 33 C UNK 0 6.265 -1.848 -0.191 0.00 0.00 C+0 HETATM 34 C UNK 0 6.055 -1.683 -1.616 0.00 0.00 C+0 HETATM 35 O UNK 0 6.639 -0.399 -2.005 0.00 0.00 O+0 HETATM 36 C UNK 0 4.755 -1.719 -2.290 0.00 0.00 C+0 HETATM 37 C UNK 0 3.925 -0.457 -2.064 0.00 0.00 C+0 HETATM 38 N UNK 0 3.944 -2.884 -2.179 0.00 0.00 N+0 HETATM 39 O UNK 0 -1.637 2.708 0.717 0.00 0.00 O+0 HETATM 40 C UNK 0 -1.759 3.913 0.062 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.548 3.976 -1.146 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.144 5.114 0.841 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.181 6.352 -0.031 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.586 7.515 0.860 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.650 8.782 0.098 0.00 0.00 C+0 HETATM 46 O UNK 0 -2.397 8.881 -1.129 0.00 0.00 O+0 HETATM 47 O UNK 0 -3.009 9.934 0.777 0.00 0.00 O+0 HETATM 48 C UNK 0 -3.167 6.256 -1.131 0.00 0.00 C+0 HETATM 49 O UNK 0 -2.835 6.339 -2.347 0.00 0.00 O+0 HETATM 50 O UNK 0 -4.511 6.067 -0.855 0.00 0.00 O+0 HETATM 51 H UNK 0 -4.700 -2.213 0.076 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.848 -3.385 -1.260 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.303 -2.558 -0.730 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.625 -1.745 -2.809 0.00 0.00 H+0 HETATM 55 H UNK 0 -3.953 -1.500 -2.364 0.00 0.00 H+0 HETATM 56 H UNK 0 -5.232 0.608 -2.527 0.00 0.00 H+0 HETATM 57 H UNK 0 -6.571 -0.090 -1.635 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.665 1.609 -0.372 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.345 0.135 0.498 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.397 2.013 -0.930 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.824 1.457 1.627 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.202 2.939 0.906 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.100 1.775 1.892 0.00 0.00 H+0 HETATM 64 H UNK 0 -2.523 0.013 1.131 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.470 -2.116 -2.178 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.118 -2.791 -2.467 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.469 -4.567 -2.376 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.317 -6.053 -0.646 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.157 -4.743 0.176 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.973 -4.473 -3.324 0.00 0.00 H+0 HETATM 71 H UNK 0 0.541 -4.195 1.598 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.291 1.813 -1.041 0.00 0.00 H+0 HETATM 73 H UNK 0 0.796 2.043 -0.074 0.00 0.00 H+0 HETATM 74 H UNK 0 0.506 0.362 -0.401 0.00 0.00 H+0 HETATM 75 H UNK 0 0.480 1.680 2.390 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.742 -0.792 1.984 0.00 0.00 H+0 HETATM 77 H UNK 0 0.921 -1.327 1.974 0.00 0.00 H+0 HETATM 78 H UNK 0 0.281 -0.401 3.359 0.00 0.00 H+0 HETATM 79 H UNK 0 2.409 2.075 1.248 0.00 0.00 H+0 HETATM 80 H UNK 0 2.620 0.452 0.638 0.00 0.00 H+0 HETATM 81 H UNK 0 2.851 1.417 3.524 0.00 0.00 H+0 HETATM 82 H UNK 0 4.326 2.009 2.135 0.00 0.00 H+0 HETATM 83 H UNK 0 3.898 -0.459 4.299 0.00 0.00 H+0 HETATM 84 H UNK 0 2.377 -1.164 3.782 0.00 0.00 H+0 HETATM 85 H UNK 0 4.082 -2.591 3.376 0.00 0.00 H+0 HETATM 86 H UNK 0 5.122 -1.356 2.579 0.00 0.00 H+0 HETATM 87 H UNK 0 2.617 -2.840 1.576 0.00 0.00 H+0 HETATM 88 H UNK 0 3.432 -1.590 0.542 0.00 0.00 H+0 HETATM 89 H UNK 0 4.038 -3.912 0.079 0.00 0.00 H+0 HETATM 90 H UNK 0 4.534 -4.168 1.730 0.00 0.00 H+0 HETATM 91 H UNK 0 6.362 -2.863 1.706 0.00 0.00 H+0 HETATM 92 H UNK 0 6.206 -4.875 0.617 0.00 0.00 H+0 HETATM 93 H UNK 0 5.917 -0.896 0.382 0.00 0.00 H+0 HETATM 94 H UNK 0 7.418 -1.711 -0.040 0.00 0.00 H+0 HETATM 95 H UNK 0 6.749 -2.392 -2.165 0.00 0.00 H+0 HETATM 96 H UNK 0 5.903 0.232 -2.008 0.00 0.00 H+0 HETATM 97 H UNK 0 4.996 -1.653 -3.418 0.00 0.00 H+0 HETATM 98 H UNK 0 2.845 -0.774 -2.172 0.00 0.00 H+0 HETATM 99 H UNK 0 4.127 0.026 -1.111 0.00 0.00 H+0 HETATM 100 H UNK 0 4.067 0.294 -2.866 0.00 0.00 H+0 HETATM 101 H UNK 0 4.499 -3.757 -2.305 0.00 0.00 H+0 HETATM 102 H UNK 0 3.248 -2.883 -2.968 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.428 5.331 1.663 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.143 5.041 1.311 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.153 6.543 -0.408 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.944 7.623 1.749 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.620 7.336 1.264 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.743 9.904 1.450 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.730 5.303 -0.217 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 54 55 CONECT 3 2 4 56 57 CONECT 4 3 5 58 59 CONECT 5 4 6 7 60 CONECT 6 5 61 62 63 CONECT 7 5 8 20 64 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 65 66 CONECT 12 11 13 17 67 CONECT 13 12 14 68 69 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 70 CONECT 17 12 18 19 CONECT 18 17 CONECT 19 17 71 CONECT 20 7 21 39 72 CONECT 21 20 22 73 74 CONECT 22 21 23 24 75 CONECT 23 22 76 77 78 CONECT 24 22 25 79 80 CONECT 25 24 26 27 81 CONECT 26 25 82 CONECT 27 25 28 83 84 CONECT 28 27 29 85 86 CONECT 29 28 30 87 88 CONECT 30 29 31 89 90 CONECT 31 30 32 33 91 CONECT 32 31 92 CONECT 33 31 34 93 94 CONECT 34 33 35 36 95 CONECT 35 34 96 CONECT 36 34 37 38 97 CONECT 37 36 98 99 100 CONECT 38 36 101 102 CONECT 39 20 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 103 104 CONECT 43 42 44 48 105 CONECT 44 43 45 106 107 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 108 CONECT 48 43 49 50 CONECT 49 48 CONECT 50 48 109 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 2 CONECT 55 2 CONECT 56 3 CONECT 57 3 CONECT 58 4 CONECT 59 4 CONECT 60 5 CONECT 61 6 CONECT 62 6 CONECT 63 6 CONECT 64 7 CONECT 65 11 CONECT 66 11 CONECT 67 12 CONECT 68 13 CONECT 69 13 CONECT 70 16 CONECT 71 19 CONECT 72 20 CONECT 73 21 CONECT 74 21 CONECT 75 22 CONECT 76 23 CONECT 77 23 CONECT 78 23 CONECT 79 24 CONECT 80 24 CONECT 81 25 CONECT 82 26 CONECT 83 27 CONECT 84 27 CONECT 85 28 CONECT 86 28 CONECT 87 29 CONECT 88 29 CONECT 89 30 CONECT 90 30 CONECT 91 31 CONECT 92 32 CONECT 93 33 CONECT 94 33 CONECT 95 34 CONECT 96 35 CONECT 97 36 CONECT 98 37 CONECT 99 37 CONECT 100 37 CONECT 101 38 CONECT 102 38 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 44 CONECT 107 44 CONECT 108 47 CONECT 109 50 MASTER 0 0 0 0 0 0 0 0 109 0 216 0 END