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 -0.076 2.651 2.142 0.00 0.00 C+0 HETATM 2 C UNK 0 0.242 1.376 2.879 0.00 0.00 C+0 HETATM 3 C UNK 0 1.315 1.597 3.884 0.00 0.00 C+0 HETATM 4 C UNK 0 0.374 0.171 2.017 0.00 0.00 C+0 HETATM 5 C UNK 0 1.383 0.150 0.962 0.00 0.00 C+0 HETATM 6 N UNK 0 2.765 0.319 1.364 0.00 0.00 N+0 HETATM 7 C UNK 0 3.821 -0.452 0.852 0.00 0.00 C+0 HETATM 8 O UNK 0 3.551 -1.344 -0.028 0.00 0.00 O+0 HETATM 9 C UNK 0 5.204 -0.246 1.303 0.00 0.00 C+0 HETATM 10 N UNK 0 6.065 -0.338 0.155 0.00 0.00 N+0 HETATM 11 C UNK 0 7.078 -1.273 -0.089 0.00 0.00 C+0 HETATM 12 O UNK 0 7.328 -2.169 0.739 0.00 0.00 O+0 HETATM 13 N UNK 0 7.837 -1.213 -1.284 0.00 0.00 N+0 HETATM 14 C UNK 0 8.899 -2.126 -1.623 0.00 0.00 C+0 HETATM 15 C UNK 0 10.228 -1.425 -1.621 0.00 0.00 C+0 HETATM 16 O UNK 0 10.357 -0.206 -1.357 0.00 0.00 O+0 HETATM 17 O UNK 0 11.371 -2.149 -1.923 0.00 0.00 O+0 HETATM 18 C UNK 0 8.653 -2.756 -2.980 0.00 0.00 C+0 HETATM 19 C UNK 0 9.773 -3.695 -3.310 0.00 0.00 C+0 HETATM 20 C UNK 0 8.459 -1.693 -4.044 0.00 0.00 C+0 HETATM 21 C UNK 0 5.337 1.022 2.062 0.00 0.00 C+0 HETATM 22 C UNK 0 4.988 2.275 1.336 0.00 0.00 C+0 HETATM 23 C UNK 0 6.228 3.079 0.950 0.00 0.00 C+0 HETATM 24 N UNK 0 7.129 3.297 2.035 0.00 0.00 N+0 HETATM 25 C UNK 0 7.365 2.319 2.865 0.00 0.00 C+0 HETATM 26 N UNK 0 8.256 2.454 3.979 0.00 0.00 N+0 HETATM 27 N UNK 0 6.699 1.093 2.626 0.00 0.00 N+0 HETATM 28 C UNK 0 1.106 0.909 -0.265 0.00 0.00 C+0 HETATM 29 O UNK 0 2.043 1.542 -0.800 0.00 0.00 O+0 HETATM 30 N UNK 0 -0.178 0.951 -0.876 0.00 0.00 N+0 HETATM 31 C UNK 0 -0.341 1.683 -2.086 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.711 1.753 -2.680 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.415 0.468 -2.860 0.00 0.00 C+0 HETATM 34 N UNK 0 -2.902 -0.243 -1.729 0.00 0.00 N+0 HETATM 35 C UNK 0 -4.129 0.315 -1.196 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.893 1.653 -0.612 0.00 0.00 C+0 HETATM 37 O UNK 0 -2.940 1.968 0.136 0.00 0.00 O+0 HETATM 38 O UNK 0 -4.790 2.706 -0.892 0.00 0.00 O+0 HETATM 39 C UNK 0 -4.648 -0.594 -0.122 0.00 0.00 C+0 HETATM 40 O UNK 0 -4.861 -1.895 -0.554 0.00 0.00 O+0 HETATM 41 C UNK 0 -4.158 -2.801 0.247 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.130 -3.637 1.068 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.533 -5.016 0.895 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.590 -5.310 1.887 0.00 0.00 O+0 HETATM 45 C UNK 0 -3.882 -4.906 -0.464 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.920 -5.138 -1.542 0.00 0.00 C+0 HETATM 47 N UNK 0 -4.374 -4.930 -2.855 0.00 0.00 N+0 HETATM 48 O UNK 0 -3.368 -3.630 -0.475 0.00 0.00 O+0 HETATM 49 C UNK 0 -6.003 -0.129 0.392 0.00 0.00 C+0 HETATM 50 O UNK 0 -6.024 1.176 0.839 0.00 0.00 O+0 HETATM 51 C UNK 0 -7.375 1.469 1.026 0.00 0.00 C+0 HETATM 52 N UNK 0 -7.695 2.852 0.757 0.00 0.00 N+0 HETATM 53 C UNK 0 -7.880 3.376 -0.475 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.178 4.707 -0.665 0.00 0.00 C+0 HETATM 55 C UNK 0 -8.298 5.562 0.421 0.00 0.00 C+0 HETATM 56 O UNK 0 -8.575 6.794 0.250 0.00 0.00 O+0 HETATM 57 N UNK 0 -8.109 5.015 1.632 0.00 0.00 N+0 HETATM 58 C UNK 0 -7.820 3.708 1.771 0.00 0.00 C+0 HETATM 59 O UNK 0 -7.654 3.266 2.958 0.00 0.00 O+0 HETATM 60 C UNK 0 -8.182 0.612 0.110 0.00 0.00 C+0 HETATM 61 O UNK 0 -8.863 -0.360 0.836 0.00 0.00 O+0 HETATM 62 C UNK 0 -7.081 -0.143 -0.658 0.00 0.00 C+0 HETATM 63 O UNK 0 -7.509 -1.434 -0.958 0.00 0.00 O+0 HETATM 64 H UNK 0 0.282 3.496 2.795 0.00 0.00 H+0 HETATM 65 H UNK 0 0.445 2.751 1.183 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.172 2.796 2.071 0.00 0.00 H+0 HETATM 67 H UNK 0 -0.708 1.179 3.500 0.00 0.00 H+0 HETATM 68 H UNK 0 0.825 1.884 4.865 0.00 0.00 H+0 HETATM 69 H UNK 0 1.869 0.665 4.130 0.00 0.00 H+0 HETATM 70 H UNK 0 1.976 2.471 3.678 0.00 0.00 H+0 HETATM 71 H UNK 0 0.459 -0.775 2.651 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.638 0.024 1.534 0.00 0.00 H+0 HETATM 73 H UNK 0 1.383 -0.946 0.564 0.00 0.00 H+0 HETATM 74 H UNK 0 2.959 1.056 2.057 0.00 0.00 H+0 HETATM 75 H UNK 0 5.418 -1.083 2.033 0.00 0.00 H+0 HETATM 76 H UNK 0 5.897 0.408 -0.590 0.00 0.00 H+0 HETATM 77 H UNK 0 7.638 -0.455 -2.011 0.00 0.00 H+0 HETATM 78 H UNK 0 8.967 -2.885 -0.824 0.00 0.00 H+0 HETATM 79 H UNK 0 12.289 -1.811 -1.665 0.00 0.00 H+0 HETATM 80 H UNK 0 7.709 -3.327 -2.935 0.00 0.00 H+0 HETATM 81 H UNK 0 10.588 -3.229 -3.892 0.00 0.00 H+0 HETATM 82 H UNK 0 10.166 -4.103 -2.333 0.00 0.00 H+0 HETATM 83 H UNK 0 9.346 -4.591 -3.812 0.00 0.00 H+0 HETATM 84 H UNK 0 7.406 -1.372 -4.009 0.00 0.00 H+0 HETATM 85 H UNK 0 8.696 -2.161 -5.019 0.00 0.00 H+0 HETATM 86 H UNK 0 9.179 -0.858 -3.910 0.00 0.00 H+0 HETATM 87 H UNK 0 4.695 0.981 2.994 0.00 0.00 H+0 HETATM 88 H UNK 0 4.363 2.989 1.918 0.00 0.00 H+0 HETATM 89 H UNK 0 4.428 2.107 0.388 0.00 0.00 H+0 HETATM 90 H UNK 0 5.867 4.095 0.608 0.00 0.00 H+0 HETATM 91 H UNK 0 6.749 2.626 0.094 0.00 0.00 H+0 HETATM 92 H UNK 0 7.971 2.449 4.969 0.00 0.00 H+0 HETATM 93 H UNK 0 9.297 2.572 3.797 0.00 0.00 H+0 HETATM 94 H UNK 0 7.157 0.207 2.845 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.935 0.421 -0.416 0.00 0.00 H+0 HETATM 96 H UNK 0 0.419 1.373 -2.866 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.036 2.750 -1.855 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.528 2.120 -3.769 0.00 0.00 H+0 HETATM 99 H UNK 0 -2.288 2.574 -2.235 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.763 -0.247 -3.448 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.287 0.672 -3.560 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.886 -1.267 -1.802 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.881 0.442 -2.022 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.570 3.663 -0.723 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.946 -0.605 0.739 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.555 -2.252 1.000 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.114 -3.637 0.552 0.00 0.00 H+0 HETATM 108 H UNK 0 -5.173 -3.327 2.126 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.364 -5.758 0.907 0.00 0.00 H+0 HETATM 110 H UNK 0 -3.897 -4.825 2.695 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.100 -5.681 -0.529 0.00 0.00 H+0 HETATM 112 H UNK 0 -5.829 -4.529 -1.372 0.00 0.00 H+0 HETATM 113 H UNK 0 -5.219 -6.219 -1.459 0.00 0.00 H+0 HETATM 114 H UNK 0 -4.710 -4.034 -3.280 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.665 -5.711 -3.490 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.301 -0.757 1.281 0.00 0.00 H+0 HETATM 117 H UNK 0 -7.585 1.270 2.107 0.00 0.00 H+0 HETATM 118 H UNK 0 -7.776 2.687 -1.318 0.00 0.00 H+0 HETATM 119 H UNK 0 -8.321 5.125 -1.648 0.00 0.00 H+0 HETATM 120 H UNK 0 -8.201 5.667 2.454 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.846 1.181 -0.556 0.00 0.00 H+0 HETATM 122 H UNK 0 -9.084 -0.058 1.771 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.776 0.453 -1.510 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.060 -1.690 -1.802 0.00 0.00 H+0 CONECT 1 2 64 65 66 CONECT 2 1 3 4 67 CONECT 3 2 68 69 70 CONECT 4 2 5 71 72 CONECT 5 4 6 28 73 CONECT 6 5 7 74 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 21 75 CONECT 10 9 11 76 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 77 CONECT 14 13 15 18 78 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 79 CONECT 18 14 19 20 80 CONECT 19 18 81 82 83 CONECT 20 18 84 85 86 CONECT 21 9 22 27 87 CONECT 22 21 23 88 89 CONECT 23 22 24 90 91 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 92 93 CONECT 27 25 21 94 CONECT 28 5 29 30 CONECT 29 28 CONECT 30 28 31 95 CONECT 31 30 32 96 97 CONECT 32 31 33 98 99 CONECT 33 32 34 100 101 CONECT 34 33 35 102 CONECT 35 34 36 39 103 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 104 CONECT 39 35 40 49 105 CONECT 40 39 41 CONECT 41 40 42 48 106 CONECT 42 41 43 107 108 CONECT 43 42 44 45 109 CONECT 44 43 110 CONECT 45 43 46 48 111 CONECT 46 45 47 112 113 CONECT 47 46 114 115 CONECT 48 45 41 CONECT 49 39 50 62 116 CONECT 50 49 51 CONECT 51 50 52 60 117 CONECT 52 51 53 58 CONECT 53 52 54 118 CONECT 54 53 55 119 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 120 CONECT 58 57 59 52 CONECT 59 58 CONECT 60 51 61 62 121 CONECT 61 60 122 CONECT 62 60 63 49 123 CONECT 63 62 124 CONECT 64 1 CONECT 65 1 CONECT 66 1 CONECT 67 2 CONECT 68 3 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 13 CONECT 78 14 CONECT 79 17 CONECT 80 18 CONECT 81 19 CONECT 82 19 CONECT 83 19 CONECT 84 20 CONECT 85 20 CONECT 86 20 CONECT 87 21 CONECT 88 22 CONECT 89 22 CONECT 90 23 CONECT 91 23 CONECT 92 26 CONECT 93 26 CONECT 94 27 CONECT 95 30 CONECT 96 31 CONECT 97 31 CONECT 98 32 CONECT 99 32 CONECT 100 33 CONECT 101 33 CONECT 102 34 CONECT 103 35 CONECT 104 38 CONECT 105 39 CONECT 106 41 CONECT 107 42 CONECT 108 42 CONECT 109 43 CONECT 110 44 CONECT 111 45 CONECT 112 46 CONECT 113 46 CONECT 114 47 CONECT 115 47 CONECT 116 49 CONECT 117 51 CONECT 118 53 CONECT 119 54 CONECT 120 57 CONECT 121 60 CONECT 122 61 CONECT 123 62 CONECT 124 63 MASTER 0 0 0 0 0 0 0 0 124 0 254 0 END