HEADER PROTEIN 26-OCT-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-OCT-17 0 HETATM 1 H UNK 0 19.895 12.424 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 18.356 12.487 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 17.533 11.186 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 16.818 12.550 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 18.248 9.822 0.000 0.00 0.00 C+0 HETATM 6 H UNK 0 19.594 9.075 0.000 0.00 0.00 H+0 HETATM 7 H UNK 0 19.651 10.457 0.000 0.00 0.00 H+0 HETATM 8 C UNK 0 17.424 8.521 0.000 0.00 0.00 C+0 HETATM 9 H UNK 0 17.451 6.981 0.000 0.00 0.00 H+0 HETATM 10 H UNK 0 18.675 7.623 0.000 0.00 0.00 H+0 HETATM 11 C UNK 0 15.885 8.584 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 14.346 8.647 0.000 0.00 0.00 H+0 HETATM 13 C UNK 0 15.061 7.283 0.000 0.00 0.00 C+0 HETATM 14 H UNK 0 13.535 7.077 0.000 0.00 0.00 H+0 HETATM 15 H UNK 0 14.024 6.144 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 15.776 5.919 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 16.600 7.220 0.000 0.00 0.00 H+0 HETATM 18 C UNK 0 17.315 5.856 0.000 0.00 0.00 C+0 HETATM 19 H UNK 0 16.641 4.471 0.000 0.00 0.00 H+0 HETATM 20 H UNK 0 18.313 4.683 0.000 0.00 0.00 H+0 HETATM 21 H UNK 0 18.790 6.300 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 14.953 4.617 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 14.129 3.316 0.000 0.00 0.00 H+0 HETATM 24 O UNK 0 15.767 3.142 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 17.199 2.576 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 18.499 3.401 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 17.103 1.039 0.000 0.00 0.00 C+0 HETATM 28 H UNK 0 18.546 1.576 0.000 0.00 0.00 H+0 HETATM 29 N UNK 0 15.612 0.655 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 14.619 -0.707 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 15.275 -2.101 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 13.083 -0.611 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 12.397 0.768 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 12.231 -1.894 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 13.768 -1.990 0.000 0.00 0.00 O+0 HETATM 36 H UNK 0 15.046 -2.849 0.000 0.00 0.00 H+0 HETATM 37 O UNK 0 10.694 -1.798 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 9.842 -3.081 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 8.990 -4.363 0.000 0.00 0.00 H+0 HETATM 40 C UNK 0 10.527 -4.460 0.000 0.00 0.00 C+0 HETATM 41 H UNK 0 9.911 -5.871 0.000 0.00 0.00 H+0 HETATM 42 H UNK 0 10.962 -5.937 0.000 0.00 0.00 H+0 HETATM 43 C UNK 0 12.064 -4.556 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 12.911 -5.842 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 13.548 -4.968 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 12.916 -3.273 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 11.379 -3.177 0.000 0.00 0.00 H+0 HETATM 48 C UNK 0 14.453 -3.369 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 13.518 -4.593 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 14.950 -4.827 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 15.941 -3.766 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 8.305 -2.984 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 8.312 -1.444 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 7.074 -2.059 0.000 0.00 0.00 H+0 HETATM 55 C UNK 0 7.453 -4.267 0.000 0.00 0.00 C+0 HETATM 56 H UNK 0 6.601 -5.550 0.000 0.00 0.00 H+0 HETATM 57 O UNK 0 8.138 -5.646 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 5.916 -4.171 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.064 -5.454 0.000 0.00 0.00 C+0 HETATM 60 H UNK 0 4.968 -6.991 0.000 0.00 0.00 H+0 HETATM 61 C UNK 0 3.527 -5.358 0.000 0.00 0.00 C+0 HETATM 62 H UNK 0 2.676 -6.641 0.000 0.00 0.00 H+0 HETATM 63 C UNK 0 2.842 -3.979 0.000 0.00 0.00 C+0 HETATM 64 H UNK 0 3.694 -2.696 0.000 0.00 0.00 H+0 HETATM 65 C UNK 0 1.305 -3.883 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 0.453 -5.166 0.000 0.00 0.00 H+0 HETATM 67 C UNK 0 0.620 -2.503 0.000 0.00 0.00 C+0 HETATM 68 H UNK 0 -0.917 -2.407 0.000 0.00 0.00 H+0 HETATM 69 C UNK 0 1.472 -1.220 0.000 0.00 0.00 C+0 HETATM 70 H UNK 0 2.324 0.063 0.000 0.00 0.00 H+0 HETATM 71 C UNK 0 0.787 0.159 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 1.277 1.618 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.496 1.011 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 -0.368 -0.860 0.000 0.00 0.00 H+0 HETATM 75 C UNK 0 3.009 -1.317 0.000 0.00 0.00 C+0 HETATM 76 H UNK 0 4.546 -1.413 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 2.157 -2.600 0.000 0.00 0.00 H+0 HETATM 78 C UNK 0 3.861 -0.034 0.000 0.00 0.00 C+0 HETATM 79 H UNK 0 4.712 1.249 0.000 0.00 0.00 H+0 HETATM 80 C UNK 0 5.398 -0.130 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 6.083 -1.509 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 6.249 1.153 0.000 0.00 0.00 C+0 HETATM 83 H UNK 0 7.101 2.436 0.000 0.00 0.00 H+0 HETATM 84 O UNK 0 5.564 2.532 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 6.416 3.815 0.000 0.00 0.00 C+0 HETATM 86 H UNK 0 7.268 5.098 0.000 0.00 0.00 H+0 HETATM 87 H UNK 0 5.731 5.194 0.000 0.00 0.00 H+0 HETATM 88 H UNK 0 4.879 3.912 0.000 0.00 0.00 H+0 HETATM 89 C UNK 0 7.786 1.057 0.000 0.00 0.00 C+0 HETATM 90 H UNK 0 9.323 0.961 0.000 0.00 0.00 H+0 HETATM 91 O UNK 0 8.472 -0.322 0.000 0.00 0.00 O+0 HETATM 92 H UNK 0 9.911 -0.870 0.000 0.00 0.00 H+0 HETATM 93 C UNK 0 8.638 2.340 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 10.175 2.244 0.000 0.00 0.00 C+0 HETATM 95 H UNK 0 11.458 1.392 0.000 0.00 0.00 H+0 HETATM 96 C UNK 0 11.027 3.527 0.000 0.00 0.00 C+0 HETATM 97 H UNK 0 11.879 4.810 0.000 0.00 0.00 H+0 HETATM 98 C UNK 0 12.564 3.431 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 13.249 2.051 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 13.416 4.714 0.000 0.00 0.00 C+0 HETATM 101 H UNK 0 12.607 6.024 0.000 0.00 0.00 H+0 HETATM 102 H UNK 0 14.726 5.523 0.000 0.00 0.00 H+0 HETATM 103 C UNK 0 10.342 4.906 0.000 0.00 0.00 C+0 HETATM 104 H UNK 0 10.832 6.366 0.000 0.00 0.00 H+0 HETATM 105 H UNK 0 9.059 5.758 0.000 0.00 0.00 H+0 HETATM 106 H UNK 0 9.187 3.887 0.000 0.00 0.00 H+0 HETATM 107 C UNK 0 7.953 3.719 0.000 0.00 0.00 C+0 HETATM 108 H UNK 0 9.061 4.788 0.000 0.00 0.00 H+0 HETATM 109 H UNK 0 8.215 5.237 0.000 0.00 0.00 H+0 HETATM 110 H UNK 0 9.314 2.998 0.000 0.00 0.00 H+0 HETATM 111 C UNK 0 3.175 1.346 0.000 0.00 0.00 C+0 HETATM 112 H UNK 0 4.027 2.629 0.000 0.00 0.00 H+0 HETATM 113 H UNK 0 2.490 2.725 0.000 0.00 0.00 H+0 HETATM 114 H UNK 0 1.638 1.442 0.000 0.00 0.00 H+0 HETATM 115 C UNK 0 5.231 -2.792 0.000 0.00 0.00 C+0 HETATM 116 H UNK 0 3.992 -3.706 0.000 0.00 0.00 H+0 HETATM 117 H UNK 0 4.869 -4.289 0.000 0.00 0.00 H+0 HETATM 118 H UNK 0 6.768 -2.888 0.000 0.00 0.00 H+0 HETATM 119 C UNK 0 15.198 -0.828 0.000 0.00 0.00 C+0 HETATM 120 H UNK 0 16.731 -0.978 0.000 0.00 0.00 H+0 HETATM 121 H UNK 0 16.468 0.042 0.000 0.00 0.00 H+0 HETATM 122 C UNK 0 16.276 -1.928 0.000 0.00 0.00 C+0 HETATM 123 H UNK 0 16.258 -3.468 0.000 0.00 0.00 H+0 HETATM 124 H UNK 0 17.487 -2.879 0.000 0.00 0.00 H+0 HETATM 125 C UNK 0 17.767 -1.545 0.000 0.00 0.00 C+0 HETATM 126 H UNK 0 18.892 -2.597 0.000 0.00 0.00 H+0 HETATM 127 H UNK 0 19.250 -1.129 0.000 0.00 0.00 H+0 HETATM 128 C UNK 0 18.181 -0.061 0.000 0.00 0.00 C+0 HETATM 129 H UNK 0 19.717 -0.173 0.000 0.00 0.00 H+0 HETATM 130 H UNK 0 19.417 0.858 0.000 0.00 0.00 H+0 HETATM 131 C UNK 0 15.170 9.948 0.000 0.00 0.00 C+0 HETATM 132 H UNK 0 14.229 11.167 0.000 0.00 0.00 H+0 HETATM 133 H UNK 0 13.666 10.277 0.000 0.00 0.00 H+0 HETATM 134 C UNK 0 15.994 11.249 0.000 0.00 0.00 C+0 HETATM 135 H UNK 0 16.709 9.885 0.000 0.00 0.00 H+0 HETATM 136 O UNK 0 15.279 12.613 0.000 0.00 0.00 O+0 HETATM 137 C UNK 0 16.103 13.914 0.000 0.00 0.00 C+0 HETATM 138 H UNK 0 17.605 14.252 0.000 0.00 0.00 H+0 HETATM 139 H UNK 0 16.165 15.453 0.000 0.00 0.00 H+0 HETATM 140 H UNK 0 14.633 14.373 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 134 CONECT 4 3 CONECT 5 3 6 7 8 CONECT 6 5 CONECT 7 5 CONECT 8 5 9 10 11 CONECT 9 8 CONECT 10 8 CONECT 11 8 12 13 131 CONECT 12 11 CONECT 13 11 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 17 18 22 CONECT 17 16 CONECT 18 16 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 CONECT 22 16 23 24 100 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 128 CONECT 28 27 CONECT 29 27 30 119 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 35 37 46 CONECT 35 34 36 CONECT 36 35 CONECT 37 34 38 CONECT 38 37 39 40 52 CONECT 39 38 CONECT 40 38 41 42 43 CONECT 41 40 CONECT 42 40 CONECT 43 40 44 45 46 CONECT 44 43 CONECT 45 43 CONECT 46 43 34 47 48 CONECT 47 46 CONECT 48 46 49 50 51 CONECT 49 48 CONECT 50 48 CONECT 51 48 CONECT 52 38 53 54 55 CONECT 53 52 CONECT 54 52 CONECT 55 52 56 57 58 CONECT 56 55 CONECT 57 55 CONECT 58 55 59 115 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 63 CONECT 62 61 CONECT 63 61 64 65 CONECT 64 63 CONECT 65 63 66 67 CONECT 66 65 CONECT 67 65 68 69 CONECT 68 67 CONECT 69 67 70 71 75 CONECT 70 69 CONECT 71 69 72 73 74 CONECT 72 71 CONECT 73 71 CONECT 74 71 CONECT 75 69 76 77 78 CONECT 76 75 CONECT 77 75 CONECT 78 75 79 80 111 CONECT 79 78 CONECT 80 78 81 82 CONECT 81 80 CONECT 82 80 83 84 89 CONECT 83 82 CONECT 84 82 85 CONECT 85 84 86 87 88 CONECT 86 85 CONECT 87 85 CONECT 88 85 CONECT 89 82 90 91 93 CONECT 90 89 CONECT 91 89 92 CONECT 92 91 CONECT 93 89 94 107 CONECT 94 93 95 96 CONECT 95 94 CONECT 96 94 97 98 103 CONECT 97 96 CONECT 98 96 99 100 CONECT 99 98 CONECT 100 98 22 101 102 CONECT 101 100 CONECT 102 100 CONECT 103 96 104 105 106 CONECT 104 103 CONECT 105 103 CONECT 106 103 CONECT 107 93 108 109 110 CONECT 108 107 CONECT 109 107 CONECT 110 107 CONECT 111 78 112 113 114 CONECT 112 111 CONECT 113 111 CONECT 114 111 CONECT 115 58 116 117 118 CONECT 116 115 CONECT 117 115 CONECT 118 115 CONECT 119 29 120 121 122 CONECT 120 119 CONECT 121 119 CONECT 122 119 123 124 125 CONECT 123 122 CONECT 124 122 CONECT 125 122 126 127 128 CONECT 126 125 CONECT 127 125 CONECT 128 125 27 129 130 CONECT 129 128 CONECT 130 128 CONECT 131 11 132 133 134 CONECT 132 131 CONECT 133 131 CONECT 134 131 3 135 136 CONECT 135 134 CONECT 136 134 137 CONECT 137 136 138 139 140 CONECT 138 137 CONECT 139 137 CONECT 140 137 MASTER 0 0 0 0 0 0 0 0 140 0 286 0 END