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 2.787 -0.069 4.402 0.00 0.00 C+0 HETATM 2 C UNK 0 2.783 -0.971 3.603 0.00 0.00 C+0 HETATM 3 C UNK 0 2.795 -2.075 2.626 0.00 0.00 C+0 HETATM 4 C UNK 0 3.920 -1.944 1.630 0.00 0.00 C+0 HETATM 5 C UNK 0 3.881 -0.680 0.826 0.00 0.00 C+0 HETATM 6 C UNK 0 2.620 -0.527 0.004 0.00 0.00 C+0 HETATM 7 O UNK 0 2.555 0.601 -0.747 0.00 0.00 O+0 HETATM 8 C UNK 0 1.846 1.589 -1.228 0.00 0.00 C+0 HETATM 9 O UNK 0 0.772 1.479 -1.912 0.00 0.00 O+0 HETATM 10 C UNK 0 2.242 3.019 -1.019 0.00 0.00 C+0 HETATM 11 C UNK 0 3.635 3.293 -1.460 0.00 0.00 C+0 HETATM 12 C UNK 0 4.740 2.553 -0.809 0.00 0.00 C+0 HETATM 13 C UNK 0 3.944 4.764 -1.705 0.00 0.00 C+0 HETATM 14 N UNK 0 1.813 3.579 0.237 0.00 0.00 N+0 HETATM 15 C UNK 0 2.811 4.425 0.909 0.00 0.00 C+0 HETATM 16 C UNK 0 0.552 3.400 0.846 0.00 0.00 C+0 HETATM 17 O UNK 0 0.560 3.032 2.054 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.786 3.592 0.238 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.060 5.088 -0.043 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.387 5.582 1.338 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.841 4.369 2.125 0.00 0.00 C+0 HETATM 22 N UNK 0 -1.865 3.328 1.129 0.00 0.00 N+0 HETATM 23 C UNK 0 -2.724 2.235 0.962 0.00 0.00 C+0 HETATM 24 O UNK 0 -3.707 2.057 1.765 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.620 1.186 -0.113 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.475 1.747 -1.240 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.461 0.794 -2.437 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.894 1.998 -0.882 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.714 0.844 -0.452 0.00 0.00 C+0 HETATM 30 O UNK 0 -3.082 -0.038 0.238 0.00 0.00 O+0 HETATM 31 C UNK 0 -3.023 -1.341 0.103 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.473 -1.990 -0.895 0.00 0.00 O+0 HETATM 33 C UNK 0 -2.421 -2.238 1.113 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.937 -1.540 2.357 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.895 -0.509 2.186 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.134 -1.122 3.194 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.761 -0.411 4.459 0.00 0.00 C+0 HETATM 38 N UNK 0 -1.498 -3.231 0.641 0.00 0.00 N+0 HETATM 39 C UNK 0 -0.913 -3.977 1.800 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.073 -3.674 -0.587 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.060 -5.002 -0.672 0.00 0.00 O+0 HETATM 42 C UNK 0 -0.623 -3.085 -1.847 0.00 0.00 C+0 HETATM 43 C UNK 0 0.030 -4.143 -2.776 0.00 0.00 C+0 HETATM 44 C UNK 0 1.196 -4.816 -2.165 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.924 -5.085 -3.387 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.133 -6.044 -4.259 0.00 0.00 C+0 HETATM 47 N UNK 0 0.072 -1.856 -1.842 0.00 0.00 N+0 HETATM 48 C UNK 0 1.440 -1.538 -1.937 0.00 0.00 C+0 HETATM 49 O UNK 0 1.920 -0.984 -3.011 0.00 0.00 O+0 HETATM 50 C UNK 0 2.497 -1.757 -0.913 0.00 0.00 C+0 HETATM 51 C UNK 0 3.766 -2.098 -1.618 0.00 0.00 C+0 HETATM 52 H UNK 0 2.772 0.735 5.120 0.00 0.00 H+0 HETATM 53 H UNK 0 1.820 -2.056 2.109 0.00 0.00 H+0 HETATM 54 H UNK 0 2.867 -3.039 3.188 0.00 0.00 H+0 HETATM 55 H UNK 0 3.859 -2.843 0.976 0.00 0.00 H+0 HETATM 56 H UNK 0 4.860 -1.998 2.249 0.00 0.00 H+0 HETATM 57 H UNK 0 4.800 -0.521 0.230 0.00 0.00 H+0 HETATM 58 H UNK 0 3.936 0.150 1.602 0.00 0.00 H+0 HETATM 59 H UNK 0 1.802 -0.616 0.788 0.00 0.00 H+0 HETATM 60 H UNK 0 1.636 3.670 -1.767 0.00 0.00 H+0 HETATM 61 H UNK 0 3.629 2.881 -2.548 0.00 0.00 H+0 HETATM 62 H UNK 0 5.300 1.858 -1.509 0.00 0.00 H+0 HETATM 63 H UNK 0 5.542 3.322 -0.574 0.00 0.00 H+0 HETATM 64 H UNK 0 4.501 1.938 0.051 0.00 0.00 H+0 HETATM 65 H UNK 0 3.052 5.362 -1.898 0.00 0.00 H+0 HETATM 66 H UNK 0 4.641 5.190 -0.937 0.00 0.00 H+0 HETATM 67 H UNK 0 4.558 4.864 -2.657 0.00 0.00 H+0 HETATM 68 H UNK 0 2.551 4.606 1.979 0.00 0.00 H+0 HETATM 69 H UNK 0 2.776 5.469 0.477 0.00 0.00 H+0 HETATM 70 H UNK 0 3.796 3.973 0.922 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.886 3.135 -0.752 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.167 5.562 -0.496 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.953 5.107 -0.705 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.552 6.123 1.819 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.224 6.324 1.248 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.854 4.593 2.528 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.218 4.154 3.009 0.00 0.00 H+0 HETATM 78 H UNK 0 -1.546 1.234 -0.419 0.00 0.00 H+0 HETATM 79 H UNK 0 -3.029 2.707 -1.626 0.00 0.00 H+0 HETATM 80 H UNK 0 -3.509 1.430 -3.357 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.322 0.133 -2.489 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.487 0.265 -2.366 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.395 2.416 -1.809 0.00 0.00 H+0 HETATM 84 H UNK 0 -5.020 2.826 -0.140 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.461 -0.136 -0.888 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.703 0.692 0.644 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.810 0.982 -0.689 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.327 -2.842 1.577 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.469 -2.346 3.002 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.261 0.468 2.630 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.544 -0.295 1.177 0.00 0.00 H+0 HETATM 92 H UNK 0 0.008 -0.713 2.846 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.627 -2.085 3.537 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.855 -0.503 2.636 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.684 0.680 4.274 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.655 -0.512 5.146 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.922 -0.844 5.004 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.550 -4.983 1.488 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.060 -3.475 2.228 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.737 -4.214 2.507 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.608 -2.954 -2.440 0.00 0.00 H+0 HETATM 102 H UNK 0 0.399 -3.477 -3.636 0.00 0.00 H+0 HETATM 103 H UNK 0 1.177 -5.903 -2.419 0.00 0.00 H+0 HETATM 104 H UNK 0 2.135 -4.428 -2.611 0.00 0.00 H+0 HETATM 105 H UNK 0 1.295 -4.654 -1.071 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.613 -4.545 -4.108 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.560 -5.676 -2.740 0.00 0.00 H+0 HETATM 108 H UNK 0 -0.598 -6.176 -5.265 0.00 0.00 H+0 HETATM 109 H UNK 0 0.897 -5.683 -4.429 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.047 -7.047 -3.766 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.548 -0.978 -1.777 0.00 0.00 H+0 HETATM 112 H UNK 0 2.247 -2.606 -0.241 0.00 0.00 H+0 HETATM 113 H UNK 0 4.243 -3.044 -1.337 0.00 0.00 H+0 HETATM 114 H UNK 0 4.495 -1.238 -1.639 0.00 0.00 H+0 HETATM 115 H UNK 0 3.514 -2.231 -2.712 0.00 0.00 H+0 CONECT 1 2 52 CONECT 2 1 3 CONECT 3 2 4 53 54 CONECT 4 3 5 55 56 CONECT 5 4 6 57 58 CONECT 6 5 7 50 59 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 14 60 CONECT 11 10 12 13 61 CONECT 12 11 62 63 64 CONECT 13 11 65 66 67 CONECT 14 10 15 16 CONECT 15 14 68 69 70 CONECT 16 14 17 18 CONECT 17 16 CONECT 18 16 19 22 71 CONECT 19 18 20 72 73 CONECT 20 19 21 74 75 CONECT 21 20 22 76 77 CONECT 22 21 23 18 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 30 78 CONECT 26 25 27 28 79 CONECT 27 26 80 81 82 CONECT 28 26 29 83 84 CONECT 29 28 85 86 87 CONECT 30 25 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 38 88 CONECT 34 33 35 36 89 CONECT 35 34 90 91 92 CONECT 36 34 37 93 94 CONECT 37 36 95 96 97 CONECT 38 33 39 40 CONECT 39 38 98 99 100 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 43 47 101 CONECT 43 42 44 45 102 CONECT 44 43 103 104 105 CONECT 45 43 46 106 107 CONECT 46 45 108 109 110 CONECT 47 42 48 111 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 6 112 CONECT 51 50 113 114 115 CONECT 52 1 CONECT 53 3 CONECT 54 3 CONECT 55 4 CONECT 56 4 CONECT 57 5 CONECT 58 5 CONECT 59 6 CONECT 60 10 CONECT 61 11 CONECT 62 12 CONECT 63 12 CONECT 64 12 CONECT 65 13 CONECT 66 13 CONECT 67 13 CONECT 68 15 CONECT 69 15 CONECT 70 15 CONECT 71 18 CONECT 72 19 CONECT 73 19 CONECT 74 20 CONECT 75 20 CONECT 76 21 CONECT 77 21 CONECT 78 25 CONECT 79 26 CONECT 80 27 CONECT 81 27 CONECT 82 27 CONECT 83 28 CONECT 84 28 CONECT 85 29 CONECT 86 29 CONECT 87 29 CONECT 88 33 CONECT 89 34 CONECT 90 35 CONECT 91 35 CONECT 92 35 CONECT 93 36 CONECT 94 36 CONECT 95 37 CONECT 96 37 CONECT 97 37 CONECT 98 39 CONECT 99 39 CONECT 100 39 CONECT 101 42 CONECT 102 43 CONECT 103 44 CONECT 104 44 CONECT 105 44 CONECT 106 45 CONECT 107 45 CONECT 108 46 CONECT 109 46 CONECT 110 46 CONECT 111 47 CONECT 112 50 CONECT 113 51 CONECT 114 51 CONECT 115 51 MASTER 0 0 0 0 0 0 0 0 115 0 232 0 END