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 1.224 4.113 -3.559 0.00 0.00 C+0 HETATM 2 S UNK 0 -0.357 3.635 -4.375 0.00 0.00 S+0 HETATM 3 C UNK 0 -1.663 4.169 -3.248 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.809 3.500 -1.984 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.785 2.229 -1.920 0.00 0.00 C+0 HETATM 6 N UNK 0 -2.686 1.967 -0.527 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.529 2.432 0.738 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.775 3.514 1.194 0.00 0.00 O+0 HETATM 9 N UNK 0 -1.820 1.471 1.565 0.00 0.00 N+0 HETATM 10 C UNK 0 -1.214 1.616 2.820 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.720 3.023 3.014 0.00 0.00 C+0 HETATM 12 C UNK 0 0.194 3.797 2.264 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.108 4.758 1.266 0.00 0.00 C+0 HETATM 14 N UNK 0 0.965 5.330 0.769 0.00 0.00 N+0 HETATM 15 C UNK 0 2.036 4.814 1.339 0.00 0.00 C+0 HETATM 16 C UNK 0 3.363 5.131 1.158 0.00 0.00 C+0 HETATM 17 C UNK 0 4.289 4.464 1.889 0.00 0.00 C+0 HETATM 18 C UNK 0 3.919 3.502 2.794 0.00 0.00 C+0 HETATM 19 C UNK 0 2.570 3.200 2.991 0.00 0.00 C+0 HETATM 20 C UNK 0 1.603 3.856 2.270 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.242 0.524 2.914 0.00 0.00 C+0 HETATM 22 O UNK 0 0.995 0.609 3.103 0.00 0.00 O+0 HETATM 23 O UNK 0 -0.682 -0.798 2.796 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.011 1.092 -2.536 0.00 0.00 C+0 HETATM 25 O UNK 0 -1.348 1.253 -3.565 0.00 0.00 O+0 HETATM 26 N UNK 0 -1.972 -0.157 -1.876 0.00 0.00 N+0 HETATM 27 C UNK 0 -1.273 -1.387 -2.327 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.651 -2.275 -2.255 0.00 0.00 C+0 HETATM 29 O UNK 0 -3.060 -2.775 -3.197 0.00 0.00 O+0 HETATM 30 N UNK 0 -3.078 -1.972 -0.897 0.00 0.00 N+0 HETATM 31 C UNK 0 -4.489 -1.667 -0.934 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.141 -1.353 0.143 0.00 0.00 C+0 HETATM 33 C UNK 0 -6.568 -0.856 0.108 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.429 0.109 1.341 0.00 0.00 C+0 HETATM 35 O UNK 0 -7.520 0.785 1.616 0.00 0.00 O+0 HETATM 36 C UNK 0 -5.875 -0.909 2.287 0.00 0.00 C+0 HETATM 37 N UNK 0 -5.202 -0.448 3.437 0.00 0.00 N+0 HETATM 38 C UNK 0 -5.049 0.815 3.790 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.223 1.241 4.789 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.515 0.265 5.469 0.00 0.00 C+0 HETATM 41 O UNK 0 -2.724 0.492 6.397 0.00 0.00 O+0 HETATM 42 N UNK 0 -3.694 -1.032 5.123 0.00 0.00 N+0 HETATM 43 C UNK 0 -4.514 -1.406 4.124 0.00 0.00 C+0 HETATM 44 O UNK 0 -4.673 -2.615 3.831 0.00 0.00 O+0 HETATM 45 O UNK 0 -4.682 -1.298 1.423 0.00 0.00 O+0 HETATM 46 C UNK 0 -0.154 -2.002 -1.882 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.015 -2.649 -0.588 0.00 0.00 C+0 HETATM 48 N UNK 0 0.998 -0.945 -1.787 0.00 0.00 N+0 HETATM 49 C UNK 0 0.979 -0.180 -0.579 0.00 0.00 C+0 HETATM 50 C UNK 0 1.805 -0.797 -2.855 0.00 0.00 C+0 HETATM 51 O UNK 0 1.137 -0.548 -3.984 0.00 0.00 O+0 HETATM 52 C UNK 0 3.305 -0.839 -3.141 0.00 0.00 C+0 HETATM 53 C UNK 0 4.295 -0.415 -2.230 0.00 0.00 C+0 HETATM 54 C UNK 0 4.385 -1.335 -1.077 0.00 0.00 C+0 HETATM 55 C UNK 0 4.071 -1.116 0.235 0.00 0.00 C+0 HETATM 56 C UNK 0 4.196 -2.151 1.141 0.00 0.00 C+0 HETATM 57 C UNK 0 4.639 -3.398 0.777 0.00 0.00 C+0 HETATM 58 C UNK 0 4.981 -3.652 -0.529 0.00 0.00 C+0 HETATM 59 O UNK 0 5.445 -4.926 -0.942 0.00 0.00 O+0 HETATM 60 C UNK 0 4.845 -2.630 -1.422 0.00 0.00 C+0 HETATM 61 N UNK 0 3.344 -0.559 -4.520 0.00 0.00 N+0 HETATM 62 C UNK 0 3.585 0.727 -5.026 0.00 0.00 C+0 HETATM 63 O UNK 0 3.890 1.765 -4.409 0.00 0.00 O+0 HETATM 64 C UNK 0 3.311 0.892 -6.492 0.00 0.00 C+0 HETATM 65 N UNK 0 3.668 2.012 -7.185 0.00 0.00 N+0 HETATM 66 H UNK 0 1.515 3.256 -2.912 0.00 0.00 H+0 HETATM 67 H UNK 0 0.986 4.980 -2.894 0.00 0.00 H+0 HETATM 68 H UNK 0 1.962 4.367 -4.307 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.635 3.997 -3.902 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.720 5.313 -3.198 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.813 2.897 -1.768 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.050 4.088 -1.134 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.605 2.580 -2.356 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.257 0.923 -0.406 0.00 0.00 H+0 HETATM 75 H UNK 0 -1.823 0.457 1.193 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.960 1.537 3.600 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.250 2.886 4.092 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.675 3.603 3.305 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.092 5.070 0.900 0.00 0.00 H+0 HETATM 80 H UNK 0 0.971 6.086 0.016 0.00 0.00 H+0 HETATM 81 H UNK 0 3.705 5.856 0.401 0.00 0.00 H+0 HETATM 82 H UNK 0 5.364 4.645 1.795 0.00 0.00 H+0 HETATM 83 H UNK 0 4.635 2.941 3.378 0.00 0.00 H+0 HETATM 84 H UNK 0 2.296 2.431 3.697 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.618 -1.085 2.586 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.462 -0.288 -0.966 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.287 -1.200 -3.481 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.610 -2.037 -0.022 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.037 -1.796 -1.883 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.402 -1.274 -0.066 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.422 0.030 -0.776 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.550 0.797 1.136 0.00 0.00 H+0 HETATM 93 H UNK 0 -7.442 1.788 1.439 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.538 -1.750 2.367 0.00 0.00 H+0 HETATM 95 H UNK 0 -5.638 1.559 3.231 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.073 2.271 5.000 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.165 -1.805 5.627 0.00 0.00 H+0 HETATM 98 H UNK 0 0.245 -2.623 -2.758 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.411 -1.979 0.198 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.576 -3.617 -0.578 0.00 0.00 H+0 HETATM 101 H UNK 0 1.053 -2.862 -0.314 0.00 0.00 H+0 HETATM 102 H UNK 0 1.288 -0.768 0.275 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.029 0.235 -0.404 0.00 0.00 H+0 HETATM 104 H UNK 0 1.613 0.755 -0.710 0.00 0.00 H+0 HETATM 105 H UNK 0 3.436 -2.072 -3.166 0.00 0.00 H+0 HETATM 106 H UNK 0 5.293 -0.247 -2.634 0.00 0.00 H+0 HETATM 107 H UNK 0 4.065 0.651 -1.791 0.00 0.00 H+0 HETATM 108 H UNK 0 3.731 -0.125 0.522 0.00 0.00 H+0 HETATM 109 H UNK 0 3.924 -1.983 2.190 0.00 0.00 H+0 HETATM 110 H UNK 0 4.760 -4.224 1.491 0.00 0.00 H+0 HETATM 111 H UNK 0 5.663 -4.985 -1.948 0.00 0.00 H+0 HETATM 112 H UNK 0 5.097 -2.840 -2.470 0.00 0.00 H+0 HETATM 113 H UNK 0 3.322 -1.364 -5.247 0.00 0.00 H+0 HETATM 114 H UNK 0 2.082 1.438 -6.196 0.00 0.00 H+0 HETATM 115 H UNK 0 2.873 0.004 -6.902 0.00 0.00 H+0 HETATM 116 H UNK 0 3.008 2.266 -7.943 0.00 0.00 H+0 HETATM 117 H UNK 0 3.777 2.818 -6.545 0.00 0.00 H+0 CONECT 1 2 66 67 68 CONECT 2 1 3 CONECT 3 2 4 69 70 CONECT 4 3 5 71 72 CONECT 5 4 6 24 73 CONECT 6 5 7 74 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 75 CONECT 10 9 11 21 76 CONECT 11 10 12 77 78 CONECT 12 11 13 20 CONECT 13 12 14 79 CONECT 14 13 15 80 CONECT 15 14 16 20 CONECT 16 15 17 81 CONECT 17 16 18 82 CONECT 18 17 19 83 CONECT 19 18 20 84 CONECT 20 19 12 15 CONECT 21 10 22 23 CONECT 22 21 CONECT 23 21 85 CONECT 24 5 25 26 CONECT 25 24 CONECT 26 24 27 86 CONECT 27 26 28 46 87 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 88 CONECT 31 30 32 89 CONECT 32 31 33 45 CONECT 33 32 34 90 91 CONECT 34 33 35 36 92 CONECT 35 34 93 CONECT 36 34 37 45 94 CONECT 37 36 38 43 CONECT 38 37 39 95 CONECT 39 38 40 96 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 97 CONECT 43 42 44 37 CONECT 44 43 CONECT 45 36 32 CONECT 46 27 47 48 98 CONECT 47 46 99 100 101 CONECT 48 46 49 50 CONECT 49 48 102 103 104 CONECT 50 48 51 52 CONECT 51 50 CONECT 52 50 53 61 105 CONECT 53 52 54 106 107 CONECT 54 53 55 60 CONECT 55 54 56 108 CONECT 56 55 57 109 CONECT 57 56 58 110 CONECT 58 57 59 60 CONECT 59 58 111 CONECT 60 58 54 112 CONECT 61 52 62 113 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 114 115 CONECT 65 64 116 117 CONECT 66 1 CONECT 67 1 CONECT 68 1 CONECT 69 3 CONECT 70 3 CONECT 71 4 CONECT 72 4 CONECT 73 5 CONECT 74 6 CONECT 75 9 CONECT 76 10 CONECT 77 11 CONECT 78 11 CONECT 79 13 CONECT 80 14 CONECT 81 16 CONECT 82 17 CONECT 83 18 CONECT 84 19 CONECT 85 23 CONECT 86 26 CONECT 87 27 CONECT 88 30 CONECT 89 31 CONECT 90 33 CONECT 91 33 CONECT 92 34 CONECT 93 35 CONECT 94 36 CONECT 95 38 CONECT 96 39 CONECT 97 42 CONECT 98 46 CONECT 99 47 CONECT 100 47 CONECT 101 47 CONECT 102 49 CONECT 103 49 CONECT 104 49 CONECT 105 52 CONECT 106 53 CONECT 107 53 CONECT 108 55 CONECT 109 56 CONECT 110 57 CONECT 111 59 CONECT 112 60 CONECT 113 61 CONECT 114 64 CONECT 115 64 CONECT 116 65 CONECT 117 65 MASTER 0 0 0 0 0 0 0 0 117 0 242 0 END