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 1.127 -3.406 -3.162 0.00 0.00 C+0 HETATM 2 C UNK 0 0.592 -2.521 -2.059 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.386 -3.343 -1.248 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.310 -2.845 0.153 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.404 -3.632 1.071 0.00 0.00 O+0 HETATM 6 C UNK 0 -0.116 -1.366 0.324 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.051 -1.201 1.740 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.342 -0.655 -0.076 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.336 0.368 -0.883 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.098 0.832 -1.462 0.00 0.00 C+0 HETATM 11 C UNK 0 1.035 0.253 -1.201 0.00 0.00 C+0 HETATM 12 C UNK 0 1.158 -0.906 -0.313 0.00 0.00 C+0 HETATM 13 O UNK 0 2.011 -0.534 0.712 0.00 0.00 O+0 HETATM 14 C UNK 0 3.271 -0.131 0.364 0.00 0.00 C+0 HETATM 15 C UNK 0 4.235 -1.046 1.073 0.00 0.00 C+0 HETATM 16 C UNK 0 5.667 -0.633 1.041 0.00 0.00 C+0 HETATM 17 N UNK 0 6.481 -1.394 0.148 0.00 0.00 N+0 HETATM 18 C UNK 0 6.529 -2.768 0.535 0.00 0.00 C+0 HETATM 19 C UNK 0 6.488 -1.129 -1.219 0.00 0.00 C+0 HETATM 20 C UNK 0 5.843 0.826 1.027 0.00 0.00 C+0 HETATM 21 O UNK 0 6.999 1.213 0.286 0.00 0.00 O+0 HETATM 22 C UNK 0 7.959 1.819 1.046 0.00 0.00 C+0 HETATM 23 C UNK 0 8.274 3.239 0.619 0.00 0.00 C+0 HETATM 24 C UNK 0 8.685 3.201 -0.812 0.00 0.00 C+0 HETATM 25 O UNK 0 9.482 4.327 -1.093 0.00 0.00 O+0 HETATM 26 C UNK 0 9.319 1.929 -1.234 0.00 0.00 C+0 HETATM 27 O UNK 0 10.491 2.277 -1.954 0.00 0.00 O+0 HETATM 28 C UNK 0 9.734 0.980 -0.185 0.00 0.00 C+0 HETATM 29 C UNK 0 11.245 0.917 -0.010 0.00 0.00 C+0 HETATM 30 O UNK 0 9.168 1.141 1.053 0.00 0.00 O+0 HETATM 31 C UNK 0 4.676 1.686 0.643 0.00 0.00 C+0 HETATM 32 C UNK 0 4.866 2.115 -0.822 0.00 0.00 C+0 HETATM 33 O UNK 0 3.432 1.178 0.771 0.00 0.00 O+0 HETATM 34 C UNK 0 1.736 -2.021 -1.165 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.619 1.046 -1.223 0.00 0.00 C+0 HETATM 36 O UNK 0 -2.538 2.013 -1.996 0.00 0.00 O+0 HETATM 37 C UNK 0 -3.850 0.557 -0.652 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.051 1.147 -0.932 0.00 0.00 C+0 HETATM 39 O UNK 0 -5.178 2.229 -1.764 0.00 0.00 O+0 HETATM 40 C UNK 0 -6.234 0.644 -0.357 0.00 0.00 C+0 HETATM 41 C UNK 0 -7.525 1.297 -0.672 0.00 0.00 C+0 HETATM 42 C UNK 0 -8.669 0.773 0.126 0.00 0.00 C+0 HETATM 43 C UNK 0 -9.787 1.786 0.145 0.00 0.00 C+0 HETATM 44 O UNK 0 -9.679 2.598 1.296 0.00 0.00 O+0 HETATM 45 C UNK 0 -9.824 2.685 -1.050 0.00 0.00 C+0 HETATM 46 O UNK 0 -10.460 2.128 -2.152 0.00 0.00 O+0 HETATM 47 C UNK 0 -8.445 3.210 -1.406 0.00 0.00 C+0 HETATM 48 C UNK 0 -8.404 4.722 -1.444 0.00 0.00 C+0 HETATM 49 O UNK 0 -7.475 2.681 -0.550 0.00 0.00 O+0 HETATM 50 C UNK 0 -6.144 -0.438 0.480 0.00 0.00 C+0 HETATM 51 C UNK 0 -4.949 -1.040 0.771 0.00 0.00 C+0 HETATM 52 C UNK 0 -4.914 -2.129 1.623 0.00 0.00 C+0 HETATM 53 C UNK 0 -6.151 -2.630 2.195 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.766 -2.007 3.261 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.956 -2.485 3.809 0.00 0.00 C+0 HETATM 56 C UNK 0 -8.550 -3.609 3.286 0.00 0.00 C+0 HETATM 57 O UNK 0 -9.733 -4.123 3.796 0.00 0.00 O+0 HETATM 58 C UNK 0 -7.951 -4.254 2.214 0.00 0.00 C+0 HETATM 59 C UNK 0 -6.778 -3.766 1.689 0.00 0.00 C+0 HETATM 60 C UNK 0 -3.667 -2.685 1.872 0.00 0.00 C+0 HETATM 61 O UNK 0 -3.649 -3.681 2.652 0.00 0.00 O+0 HETATM 62 O UNK 0 -2.587 -2.185 1.315 0.00 0.00 O+0 HETATM 63 C UNK 0 -2.604 -1.153 0.505 0.00 0.00 C+0 HETATM 64 C UNK 0 -3.789 -0.524 0.189 0.00 0.00 C+0 HETATM 65 H UNK 0 2.174 -3.696 -2.918 0.00 0.00 H+0 HETATM 66 H UNK 0 1.102 -2.824 -4.108 0.00 0.00 H+0 HETATM 67 H UNK 0 0.551 -4.356 -3.248 0.00 0.00 H+0 HETATM 68 H UNK 0 0.096 -1.607 -2.449 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.154 -4.428 -1.294 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.389 -3.208 -1.702 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.102 -0.245 1.955 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.119 1.708 -2.147 0.00 0.00 H+0 HETATM 73 H UNK 0 1.958 0.646 -1.673 0.00 0.00 H+0 HETATM 74 H UNK 0 3.492 -0.159 -0.702 0.00 0.00 H+0 HETATM 75 H UNK 0 3.898 -1.079 2.151 0.00 0.00 H+0 HETATM 76 H UNK 0 4.089 -2.069 0.665 0.00 0.00 H+0 HETATM 77 H UNK 0 6.059 -0.995 2.070 0.00 0.00 H+0 HETATM 78 H UNK 0 6.328 -2.821 1.629 0.00 0.00 H+0 HETATM 79 H UNK 0 5.866 -3.433 -0.018 0.00 0.00 H+0 HETATM 80 H UNK 0 7.581 -3.138 0.355 0.00 0.00 H+0 HETATM 81 H UNK 0 6.929 -2.013 -1.782 0.00 0.00 H+0 HETATM 82 H UNK 0 6.992 -0.207 -1.559 0.00 0.00 H+0 HETATM 83 H UNK 0 5.451 -1.087 -1.612 0.00 0.00 H+0 HETATM 84 H UNK 0 6.109 1.183 2.080 0.00 0.00 H+0 HETATM 85 H UNK 0 7.612 1.877 2.095 0.00 0.00 H+0 HETATM 86 H UNK 0 9.169 3.545 1.213 0.00 0.00 H+0 HETATM 87 H UNK 0 7.424 3.931 0.745 0.00 0.00 H+0 HETATM 88 H UNK 0 7.749 3.377 -1.421 0.00 0.00 H+0 HETATM 89 H UNK 0 9.974 4.128 -1.952 0.00 0.00 H+0 HETATM 90 H UNK 0 8.685 1.422 -2.022 0.00 0.00 H+0 HETATM 91 H UNK 0 10.964 1.470 -2.257 0.00 0.00 H+0 HETATM 92 H UNK 0 9.451 -0.061 -0.525 0.00 0.00 H+0 HETATM 93 H UNK 0 11.702 1.913 -0.049 0.00 0.00 H+0 HETATM 94 H UNK 0 11.470 0.508 1.002 0.00 0.00 H+0 HETATM 95 H UNK 0 11.705 0.203 -0.733 0.00 0.00 H+0 HETATM 96 H UNK 0 4.724 2.660 1.232 0.00 0.00 H+0 HETATM 97 H UNK 0 4.627 3.196 -0.925 0.00 0.00 H+0 HETATM 98 H UNK 0 5.874 1.859 -1.147 0.00 0.00 H+0 HETATM 99 H UNK 0 4.149 1.585 -1.480 0.00 0.00 H+0 HETATM 100 H UNK 0 2.472 -1.574 -1.873 0.00 0.00 H+0 HETATM 101 H UNK 0 2.093 -2.876 -0.601 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.544 2.761 -2.277 0.00 0.00 H+0 HETATM 103 H UNK 0 -7.754 1.108 -1.755 0.00 0.00 H+0 HETATM 104 H UNK 0 -9.023 -0.240 -0.197 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.363 0.622 1.200 0.00 0.00 H+0 HETATM 106 H UNK 0 -10.754 1.248 0.222 0.00 0.00 H+0 HETATM 107 H UNK 0 -9.242 3.450 1.037 0.00 0.00 H+0 HETATM 108 H UNK 0 -10.425 3.591 -0.755 0.00 0.00 H+0 HETATM 109 H UNK 0 -11.176 1.515 -1.837 0.00 0.00 H+0 HETATM 110 H UNK 0 -8.196 2.842 -2.424 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.324 5.006 -1.527 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.868 5.108 -2.388 0.00 0.00 H+0 HETATM 113 H UNK 0 -8.870 5.193 -0.557 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.033 -0.870 0.951 0.00 0.00 H+0 HETATM 115 H UNK 0 -6.314 -1.132 3.674 0.00 0.00 H+0 HETATM 116 H UNK 0 -8.437 -1.996 4.646 0.00 0.00 H+0 HETATM 117 H UNK 0 -10.226 -3.715 4.569 0.00 0.00 H+0 HETATM 118 H UNK 0 -8.434 -5.138 1.816 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.304 -4.265 0.851 0.00 0.00 H+0 CONECT 1 2 65 66 67 CONECT 2 1 3 34 68 CONECT 3 2 4 69 70 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 8 12 CONECT 7 6 71 CONECT 8 6 9 63 CONECT 9 8 10 35 CONECT 10 9 11 72 CONECT 11 10 12 73 CONECT 12 11 13 34 6 CONECT 13 12 14 CONECT 14 13 15 33 74 CONECT 15 14 16 75 76 CONECT 16 15 17 20 77 CONECT 17 16 18 19 CONECT 18 17 78 79 80 CONECT 19 17 81 82 83 CONECT 20 16 21 31 84 CONECT 21 20 22 CONECT 22 21 23 30 85 CONECT 23 22 24 86 87 CONECT 24 23 25 26 88 CONECT 25 24 89 CONECT 26 24 27 28 90 CONECT 27 26 91 CONECT 28 26 29 30 92 CONECT 29 28 93 94 95 CONECT 30 28 22 CONECT 31 20 32 33 96 CONECT 32 31 97 98 99 CONECT 33 31 14 CONECT 34 12 2 100 101 CONECT 35 9 36 37 CONECT 36 35 CONECT 37 35 38 64 CONECT 38 37 39 40 CONECT 39 38 102 CONECT 40 38 41 50 CONECT 41 40 42 49 103 CONECT 42 41 43 104 105 CONECT 43 42 44 45 106 CONECT 44 43 107 CONECT 45 43 46 47 108 CONECT 46 45 109 CONECT 47 45 48 49 110 CONECT 48 47 111 112 113 CONECT 49 47 41 CONECT 50 40 51 114 CONECT 51 50 52 64 CONECT 52 51 53 60 CONECT 53 52 54 59 CONECT 54 53 55 115 CONECT 55 54 56 116 CONECT 56 55 57 58 CONECT 57 56 117 CONECT 58 56 59 118 CONECT 59 58 53 119 CONECT 60 52 61 62 CONECT 61 60 CONECT 62 60 63 CONECT 63 62 64 8 CONECT 64 63 37 51 CONECT 65 1 CONECT 66 1 CONECT 67 1 CONECT 68 2 CONECT 69 3 CONECT 70 3 CONECT 71 7 CONECT 72 10 CONECT 73 11 CONECT 74 14 CONECT 75 15 CONECT 76 15 CONECT 77 16 CONECT 78 18 CONECT 79 18 CONECT 80 18 CONECT 81 19 CONECT 82 19 CONECT 83 19 CONECT 84 20 CONECT 85 22 CONECT 86 23 CONECT 87 23 CONECT 88 24 CONECT 89 25 CONECT 90 26 CONECT 91 27 CONECT 92 28 CONECT 93 29 CONECT 94 29 CONECT 95 29 CONECT 96 31 CONECT 97 32 CONECT 98 32 CONECT 99 32 CONECT 100 34 CONECT 101 34 CONECT 102 39 CONECT 103 41 CONECT 104 42 CONECT 105 42 CONECT 106 43 CONECT 107 44 CONECT 108 45 CONECT 109 46 CONECT 110 47 CONECT 111 48 CONECT 112 48 CONECT 113 48 CONECT 114 50 CONECT 115 54 CONECT 116 55 CONECT 117 57 CONECT 118 58 CONECT 119 59 MASTER 0 0 0 0 0 0 0 0 119 0 254 0 END