HEADER PROTEIN 14-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 14-SEP-22 0 HETATM 1 H UNK 0 -23.930 9.249 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 -22.532 9.894 0.000 0.00 0.00 C+0 HETATM 3 O UNK 0 -22.672 8.361 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -21.413 7.473 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -20.015 8.119 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 -19.875 9.652 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -18.757 7.231 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -17.359 7.876 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -17.219 9.410 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 -18.897 5.697 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -20.295 5.051 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 -21.693 4.406 0.000 0.00 0.00 H+0 HETATM 13 O UNK 0 -20.435 3.518 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -19.176 2.630 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -17.778 3.276 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -17.638 4.809 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -16.240 5.455 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 -16.520 2.388 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -16.660 0.854 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 -16.800 -0.680 0.000 0.00 0.00 H+0 HETATM 21 O UNK 0 -15.402 -0.034 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -14.003 0.612 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -12.745 -0.276 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -12.885 -1.810 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -14.283 -2.455 0.000 0.00 0.00 O+0 HETATM 26 O UNK 0 -11.347 0.370 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -11.207 1.903 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -9.809 2.549 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 -8.551 1.661 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.153 2.307 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -5.895 1.419 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -4.497 2.065 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.357 3.598 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -3.238 1.177 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.840 1.823 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.582 0.935 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 0.816 1.580 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 2.074 0.693 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 3.472 1.338 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 3.612 2.872 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 5.010 3.518 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 6.269 2.630 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 7.667 3.276 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 8.925 2.388 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 10.323 3.033 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 11.581 2.145 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 12.979 2.791 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 14.238 1.903 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 15.636 2.549 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 16.894 1.661 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -7.013 3.841 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -5.615 4.486 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -8.271 4.728 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -9.669 4.083 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -10.928 4.971 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -10.788 6.504 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.390 7.150 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -9.250 8.684 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -7.852 9.329 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.712 10.863 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -6.314 11.509 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -6.174 13.042 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.776 13.688 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.636 15.222 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.238 15.868 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.098 17.401 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -1.700 18.047 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -12.466 2.791 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 -12.326 4.325 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 -13.864 2.145 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 -15.122 3.033 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 -18.058 0.208 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 -18.198 -1.325 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 -19.316 1.096 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 -20.714 0.450 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 -20.854 -1.083 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -19.319 -0.955 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -18.441 -2.219 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -16.906 -2.091 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -19.097 -3.613 0.000 0.00 0.00 C+0 HETATM 81 N UNK 0 -18.218 -4.877 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 -16.683 -4.749 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -15.805 -6.013 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 -16.027 -3.355 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 -20.631 -3.741 0.000 0.00 0.00 C+0 HETATM 86 H UNK 0 -22.166 -3.870 0.000 0.00 0.00 H+0 HETATM 87 O UNK 0 -21.510 -2.477 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 -21.287 -5.135 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 -20.408 -6.399 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 -22.822 -5.263 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 -23.700 -3.999 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 -23.478 -6.657 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 -25.012 -6.785 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 -22.340 -0.679 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 -22.733 0.810 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -23.433 -1.764 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -21.553 5.939 0.000 0.00 0.00 C+0 HETATM 98 N UNK 0 -22.951 5.293 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 -24.209 6.181 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -25.608 5.536 0.000 0.00 0.00 C+0 HETATM 101 O UNK 0 -24.070 7.715 0.000 0.00 0.00 O+0 HETATM 102 O UNK 0 -21.134 10.540 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 -20.994 12.074 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 -19.596 12.720 0.000 0.00 0.00 C+0 HETATM 105 O UNK 0 -18.338 11.832 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 -22.252 12.962 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 -22.112 14.495 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 -23.650 12.316 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 -24.908 13.204 0.000 0.00 0.00 O+0 HETATM 110 C UNK 0 -23.790 10.782 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 -25.188 10.137 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 102 110 CONECT 3 2 4 CONECT 4 3 5 97 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 10 CONECT 8 7 9 CONECT 9 8 CONECT 10 7 11 CONECT 11 10 12 13 97 CONECT 12 11 CONECT 13 11 14 CONECT 14 13 15 74 CONECT 15 14 16 18 CONECT 16 15 17 CONECT 17 16 CONECT 18 15 19 CONECT 19 18 20 21 72 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 70 CONECT 23 22 24 26 CONECT 24 23 25 CONECT 25 24 CONECT 26 23 27 CONECT 27 26 28 68 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 51 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 CONECT 51 30 52 53 CONECT 52 51 CONECT 53 51 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 CONECT 66 65 67 CONECT 67 66 CONECT 68 27 69 70 CONECT 69 68 CONECT 70 68 22 71 CONECT 71 70 CONECT 72 19 73 74 CONECT 73 72 CONECT 74 72 14 75 CONECT 75 74 76 CONECT 76 75 77 87 94 CONECT 77 76 78 CONECT 78 77 79 80 CONECT 79 78 CONECT 80 78 81 85 CONECT 81 80 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 CONECT 85 80 86 87 88 CONECT 86 85 CONECT 87 85 76 CONECT 88 85 89 90 CONECT 89 88 CONECT 90 88 91 92 CONECT 91 90 CONECT 92 90 93 CONECT 93 92 CONECT 94 76 95 96 CONECT 95 94 CONECT 96 94 CONECT 97 11 4 98 CONECT 98 97 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 CONECT 102 2 103 CONECT 103 102 104 106 CONECT 104 103 105 CONECT 105 104 CONECT 106 103 107 108 CONECT 107 106 CONECT 108 106 109 110 CONECT 109 108 CONECT 110 108 2 111 CONECT 111 110 MASTER 0 0 0 0 0 0 0 0 111 0 230 0 END