HEADER PROTEIN 09-MAY-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 09-MAY-21 0 HETATM 1 C UNK 0 -6.545 3.243 0.000 0.00 0.00 C+0 HETATM 2 Cl UNK 0 -7.883 4.013 0.000 0.00 0.00 Cl+0 HETATM 3 O UNK 0 -9.198 -1.377 0.000 0.00 0.00 O+0 HETATM 4 C UNK 0 -9.190 -2.917 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.538 1.710 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 -5.071 1.242 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -4.172 2.492 0.000 0.00 0.00 C+0 HETATM 8 S UNK 0 -5.083 3.734 0.000 0.00 0.00 S+0 HETATM 9 C UNK 0 -9.213 1.703 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.876 0.941 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -9.206 3.243 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -14.774 4.029 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -16.103 3.267 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -16.103 1.727 0.000 0.00 0.00 C+0 HETATM 15 S UNK 0 -14.774 0.949 0.000 0.00 0.00 S+0 HETATM 16 N UNK 0 -13.444 3.267 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 -13.444 1.718 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -11.896 1.718 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -11.896 3.267 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -17.427 4.037 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -14.759 5.569 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -13.421 6.331 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 -16.089 6.339 0.000 0.00 0.00 O-1 HETATM 24 O UNK 0 -10.792 4.348 0.000 0.00 0.00 O+0 HETATM 25 H UNK 0 -13.437 0.171 0.000 0.00 0.00 H+0 HETATM 26 N UNK 0 -10.551 0.941 0.000 0.00 0.00 N+0 HETATM 27 N UNK 0 -2.626 2.481 0.000 0.00 0.00 N+0 HETATM 28 N UNK 0 -7.868 -0.599 0.000 0.00 0.00 N+0 HETATM 29 N UNK 0 -18.757 3.259 0.000 0.00 0.00 N+1 HETATM 30 C UNK 0 -21.416 1.709 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -20.068 0.946 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -18.744 1.727 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -21.424 3.251 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -20.098 4.033 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.852 -3.671 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -7.821 -6.977 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 -6.483 -7.731 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 -2.485 -10.041 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -3.808 -9.256 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.815 -7.708 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.485 -11.574 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.815 -12.336 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -5.146 -10.018 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.153 -11.558 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.155 -12.343 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -6.491 -12.320 0.000 0.00 0.00 O+0 HETATM 47 N UNK 0 -2.501 -6.930 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 -2.516 -3.959 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -1.194 -3.189 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 -3.845 -3.200 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 14.774 -3.142 0.000 0.00 0.00 C+0 HETATM 52 N UNK 0 0.143 -3.959 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 6.832 6.759 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 7.594 5.413 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 4.133 -3.173 0.000 0.00 0.00 N+0 HETATM 56 N UNK 0 8.123 -3.936 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 13.443 -3.920 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 1.473 -3.173 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.463 -3.943 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 6.817 2.543 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 7.618 8.097 0.000 0.00 0.00 C+0 HETATM 62 N UNK 0 12.114 -3.150 0.000 0.00 0.00 N+0 HETATM 63 C UNK 0 6.793 -3.165 0.000 0.00 0.00 C+0 HETATM 64 N UNK 0 16.104 -3.912 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 5.487 1.773 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 8.139 1.781 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 9.453 -3.150 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 2.803 -3.943 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 9.134 5.406 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 6.809 4.083 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 4.499 10.804 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 6.809 -0.529 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 9.166 8.073 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 4.157 2.543 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 9.469 2.567 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 10.783 -3.920 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 4.507 8.120 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 17.434 -3.127 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 9.920 6.728 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -1.171 -0.537 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 14.774 -0.513 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 5.277 9.466 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 2.951 8.105 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 2.803 -5.483 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 2.943 10.796 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 10.783 -6.129 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 0.167 0.218 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 13.451 0.249 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 5.284 6.774 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 8.147 0.233 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 5.487 0.241 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 2.834 1.766 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 10.799 1.797 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 2.173 9.450 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 12.121 2.559 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 1.497 2.536 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 9.446 -6.883 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 13.443 1.797 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 0.167 1.758 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 18.764 -3.897 0.000 0.00 0.00 C+0 HETATM 101 O UNK 0 13.443 -5.460 0.000 0.00 0.00 O+0 HETATM 102 O UNK 0 5.463 -5.483 0.000 0.00 0.00 O+0 HETATM 103 O UNK 0 1.473 -1.633 0.000 0.00 0.00 O+0 HETATM 104 O UNK 0 9.453 -1.610 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 17.434 -1.587 0.000 0.00 0.00 O+0 HETATM 106 C UNK 0 1.497 -0.552 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 12.114 -0.513 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 2.834 0.218 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 10.791 0.257 0.000 0.00 0.00 C+0 HETATM 110 O UNK 0 9.430 -8.423 0.000 0.00 0.00 O+0 HETATM 111 C UNK 0 18.764 -5.437 0.000 0.00 0.00 C+0 HETATM 112 N UNK 0 4.483 12.343 0.000 0.00 0.00 N+0 HETATM 113 O UNK 0 6.856 9.435 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 9.943 9.403 0.000 0.00 0.00 O+0 HETATM 115 N UNK 0 8.100 -6.113 0.000 0.00 0.00 N+0 HETATM 116 N UNK 0 20.094 -3.127 0.000 0.00 0.00 N+0 HETATM 117 O UNK 0 2.165 12.133 0.000 0.00 0.00 O+0 HETATM 118 Cl UNK 0 1.489 4.083 0.000 0.00 0.00 Cl+0 HETATM 119 O UNK 0 -2.517 0.233 0.000 0.00 0.00 O+0 HETATM 120 Cl UNK 0 12.114 4.107 0.000 0.00 0.00 Cl+0 HETATM 121 O UNK 0 16.104 0.257 0.000 0.00 0.00 O+0 HETATM 122 C UNK 0 11.460 6.720 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 6.039 10.804 0.000 0.00 0.00 C+0 HETATM 124 O UNK 0 11.997 8.167 0.000 0.00 0.00 O+0 HETATM 125 C UNK 0 0.633 9.458 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 20.094 -6.207 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 21.424 -3.897 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 21.424 -5.437 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 20.086 -7.747 0.000 0.00 0.00 C+0 HETATM 130 H UNK 0 5.736 5.670 0.000 0.00 0.00 H+0 HETATM 131 C UNK 0 -5.161 -6.953 0.000 0.00 0.00 C+0 HETATM 132 O UNK 0 -5.177 -5.419 0.000 0.00 0.00 O+0 HETATM 133 C UNK 0 1.465 -6.250 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 1.465 -7.788 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 2.799 -8.560 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 4.138 -7.782 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 4.132 -6.246 0.000 0.00 0.00 C+0 HETATM 138 O UNK 0 2.801 -10.102 0.000 0.00 0.00 O+0 CONECT 1 8 5 2 CONECT 2 1 CONECT 3 28 4 CONECT 4 3 35 CONECT 5 10 6 1 CONECT 6 5 7 CONECT 7 6 27 8 CONECT 8 7 1 CONECT 9 11 10 26 CONECT 10 5 9 28 CONECT 11 9 CONECT 12 16 13 21 CONECT 13 20 12 14 CONECT 14 13 15 CONECT 15 17 14 CONECT 16 19 12 17 CONECT 17 15 16 25 18 CONECT 18 17 26 19 CONECT 19 16 24 18 CONECT 20 13 29 CONECT 21 12 22 23 CONECT 22 21 CONECT 23 21 CONECT 24 19 CONECT 25 17 CONECT 26 18 9 CONECT 27 7 CONECT 28 3 10 CONECT 29 34 32 20 CONECT 30 33 31 CONECT 31 30 32 CONECT 32 31 29 CONECT 33 30 34 CONECT 34 29 33 CONECT 35 4 36 CONECT 36 35 37 CONECT 37 131 36 CONECT 38 39 41 134 CONECT 39 38 40 43 CONECT 40 39 47 131 CONECT 41 38 45 42 CONECT 42 44 41 CONECT 43 39 44 CONECT 44 42 43 46 CONECT 45 41 CONECT 46 44 CONECT 47 40 48 CONECT 48 47 49 50 CONECT 49 48 52 80 CONECT 50 48 CONECT 51 57 64 81 CONECT 52 49 58 CONECT 53 54 61 89 130 CONECT 54 53 70 69 CONECT 55 68 59 CONECT 56 63 67 CONECT 57 51 62 101 CONECT 58 52 68 103 CONECT 59 55 63 102 CONECT 60 65 70 66 CONECT 61 53 73 113 CONECT 62 57 76 CONECT 63 56 59 72 CONECT 64 51 78 CONECT 65 60 74 91 CONECT 66 90 75 60 CONECT 67 56 76 104 CONECT 68 55 58 84 CONECT 69 54 79 CONECT 70 54 60 CONECT 71 82 112 123 85 CONECT 72 63 90 91 CONECT 73 61 114 79 CONECT 74 65 92 CONECT 75 66 93 CONECT 76 62 67 86 CONECT 77 89 82 83 CONECT 78 64 100 105 CONECT 79 69 122 73 CONECT 80 49 87 119 CONECT 81 51 88 121 CONECT 82 71 77 CONECT 83 77 94 CONECT 84 68 133 137 CONECT 85 94 117 71 CONECT 86 76 97 CONECT 87 80 99 106 CONECT 88 81 98 107 CONECT 89 77 53 CONECT 90 66 72 CONECT 91 72 65 CONECT 92 74 108 96 CONECT 93 75 95 109 CONECT 94 85 83 125 CONECT 95 93 98 120 CONECT 96 99 118 92 CONECT 97 86 110 115 CONECT 98 95 88 CONECT 99 96 87 CONECT 100 78 111 116 CONECT 101 57 CONECT 102 59 CONECT 103 58 CONECT 104 67 CONECT 105 78 CONECT 106 87 108 CONECT 107 109 88 CONECT 108 92 106 CONECT 109 107 93 CONECT 110 97 CONECT 111 100 126 CONECT 112 71 CONECT 113 61 CONECT 114 73 CONECT 115 97 CONECT 116 100 127 CONECT 117 85 CONECT 118 96 CONECT 119 80 CONECT 120 95 CONECT 121 81 CONECT 122 79 124 CONECT 123 71 CONECT 124 122 CONECT 125 94 CONECT 126 111 128 129 CONECT 127 116 CONECT 128 126 CONECT 129 126 CONECT 130 53 CONECT 131 40 37 132 CONECT 132 131 CONECT 133 84 134 CONECT 134 133 135 38 CONECT 135 134 136 138 CONECT 136 135 137 CONECT 137 136 84 CONECT 138 135 MASTER 0 0 0 0 0 0 0 0 138 0 302 0 END