HEADER PROTEIN 20-MAY-19 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-MAY-19 0 HETATM 1 C UNK 0 26.214 -9.575 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 24.683 -9.224 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 24.545 -10.858 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 24.188 -7.623 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 22.695 -8.093 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 21.135 -8.205 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 21.195 -9.822 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 19.564 -8.021 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 18.514 -9.380 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 19.518 -10.475 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 21.021 -10.142 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 22.062 -11.277 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 21.599 -12.746 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 20.095 -13.079 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 19.055 -11.944 0.000 0.00 0.00 C+0 HETATM 16 N UNK 0 18.552 -6.826 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 18.970 -5.333 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 18.265 -3.801 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 20.391 -4.388 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 20.111 -5.850 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 18.301 -6.089 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 19.769 -7.069 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 16.779 -6.979 0.000 0.00 0.00 O+0 HETATM 24 N UNK 0 21.505 -3.318 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 20.987 -1.848 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 22.546 -1.755 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 20.144 -0.527 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 19.682 -2.301 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 19.355 -3.821 0.000 0.00 0.00 O+0 HETATM 30 N UNK 0 19.126 0.660 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 17.380 1.095 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 18.119 2.550 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 15.749 0.986 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 14.467 2.117 0.000 0.00 0.00 C+0 HETATM 35 S UNK 0 13.388 3.589 0.000 0.00 0.00 S+0 HETATM 36 S UNK 0 12.862 5.102 0.000 0.00 0.00 S+0 HETATM 37 C UNK 0 11.861 6.295 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 10.291 6.066 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 9.592 7.475 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 9.459 9.031 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 7.880 8.806 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 9.771 10.563 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 8.171 11.202 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 6.849 12.241 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 5.253 12.626 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 4.461 14.033 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 2.943 14.674 0.000 0.00 0.00 C+0 HETATM 48 N UNK 0 1.486 14.101 0.000 0.00 0.00 N+0 HETATM 49 N UNK 0 2.375 16.201 0.000 0.00 0.00 N+0 HETATM 50 N UNK 0 10.021 12.122 0.000 0.00 0.00 N+0 HETATM 51 C UNK 0 10.855 13.468 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 10.396 14.987 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 12.390 13.758 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 12.802 15.427 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 14.009 16.609 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 14.556 18.129 0.000 0.00 0.00 C+0 HETATM 57 N UNK 0 16.045 18.730 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 16.685 20.246 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 16.102 21.700 0.000 0.00 0.00 N+0 HETATM 60 N UNK 0 18.225 20.775 0.000 0.00 0.00 N+0 HETATM 61 N UNK 0 13.708 12.917 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 14.406 11.511 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 15.856 12.177 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 14.962 10.047 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 13.202 9.588 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 16.067 8.944 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 17.379 8.086 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 17.702 9.719 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 18.645 7.156 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 19.983 8.383 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 21.396 9.425 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 22.068 10.946 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 21.608 12.477 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 23.594 11.419 0.000 0.00 0.00 O+0 HETATM 75 N UNK 0 19.782 6.063 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 20.652 4.750 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 22.223 4.371 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 21.664 3.547 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 22.857 4.912 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 24.486 5.571 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 25.535 6.777 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 26.136 5.520 0.000 0.00 0.00 O+0 HETATM 83 N UNK 0 22.646 2.320 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 23.693 1.147 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 25.155 1.776 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 24.624 -0.116 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 25.939 0.926 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 25.455 -1.448 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 26.227 -2.810 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 27.696 -2.153 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 26.814 -4.257 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 28.504 -4.476 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 30.061 -5.204 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 31.669 -4.907 0.000 0.00 0.00 C+0 HETATM 95 N UNK 0 32.974 -5.826 0.000 0.00 0.00 N+0 HETATM 96 O UNK 0 32.456 -3.526 0.000 0.00 0.00 O+0 HETATM 97 N UNK 0 26.661 -5.815 0.000 0.00 0.00 N+0 HETATM 98 C UNK 0 25.624 -6.994 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 26.613 -8.327 0.000 0.00 0.00 O+0 HETATM 100 C UNK 0 9.939 4.502 0.000 0.00 0.00 C+0 HETATM 101 O UNK 0 8.277 4.917 0.000 0.00 0.00 O+0 HETATM 102 N UNK 0 10.127 2.901 0.000 0.00 0.00 N+0 HETATM 103 C UNK 0 10.439 1.156 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 11.604 0.312 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 11.994 -1.011 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 13.396 -1.648 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 13.968 -3.289 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 12.401 -3.654 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 12.867 -5.319 0.000 0.00 0.00 O+0 HETATM 110 C UNK 0 10.891 -3.439 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 10.741 -1.907 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 9.099 0.346 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 7.439 0.362 0.000 0.00 0.00 O+0 HETATM 114 N UNK 0 9.603 1.808 0.000 0.00 0.00 N+0 HETATM 115 C UNK 0 11.368 2.054 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 10.399 0.236 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 9.900 -1.509 0.000 0.00 0.00 C+0 HETATM 118 N UNK 0 11.231 -2.665 0.000 0.00 0.00 N+0 HETATM 119 O UNK 0 8.380 -2.421 0.000 0.00 0.00 O+0 HETATM 120 C UNK 0 12.956 2.437 0.000 0.00 0.00 C+0 HETATM 121 O UNK 0 13.795 1.527 0.000 0.00 0.00 O+0 HETATM 122 N UNK 0 14.446 3.396 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 15.187 4.794 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 14.615 6.420 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 15.396 7.810 0.000 0.00 0.00 C+0 HETATM 126 O UNK 0 16.172 6.485 0.000 0.00 0.00 O+0 HETATM 127 O UNK 0 14.311 9.208 0.000 0.00 0.00 O+0 HETATM 128 C UNK 0 16.733 4.870 0.000 0.00 0.00 C+0 HETATM 129 O UNK 0 17.422 6.619 0.000 0.00 0.00 O+0 HETATM 130 N UNK 0 17.381 3.448 0.000 0.00 0.00 N+0 HETATM 131 C UNK 0 18.920 3.417 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 19.366 1.943 0.000 0.00 0.00 C+0 HETATM 133 C UNK 0 18.102 1.063 0.000 0.00 0.00 C+0 HETATM 134 C UNK 0 16.875 1.994 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 16.885 0.220 0.000 0.00 0.00 C+0 HETATM 136 O UNK 0 18.467 -0.484 0.000 0.00 0.00 O+0 HETATM 137 N UNK 0 16.322 -1.237 0.000 0.00 0.00 N+0 HETATM 138 C UNK 0 14.619 -1.620 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 13.380 -3.844 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 11.824 -5.264 0.000 0.00 0.00 C+0 HETATM 141 C UNK 0 10.347 -6.293 0.000 0.00 0.00 C+0 HETATM 142 C UNK 0 9.416 -7.736 0.000 0.00 0.00 C+0 HETATM 143 N UNK 0 9.096 -9.296 0.000 0.00 0.00 N+0 HETATM 144 C UNK 0 15.804 -2.330 0.000 0.00 0.00 C+0 HETATM 145 O UNK 0 15.613 -3.863 0.000 0.00 0.00 O+0 HETATM 146 N UNK 0 15.304 -0.615 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 98 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 16 CONECT 9 8 10 CONECT 10 9 11 15 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 10 CONECT 16 8 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 24 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 CONECT 24 19 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 30 CONECT 28 27 29 CONECT 29 28 CONECT 30 27 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 146 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 100 CONECT 39 38 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 50 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 CONECT 50 42 51 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 61 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 CONECT 61 53 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 66 CONECT 65 64 CONECT 66 64 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 75 CONECT 70 69 71 CONECT 71 70 72 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 CONECT 75 69 76 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 79 83 CONECT 79 78 80 CONECT 80 79 81 82 CONECT 81 80 CONECT 82 80 CONECT 83 78 84 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 87 88 CONECT 87 86 CONECT 88 86 89 CONECT 89 88 90 91 CONECT 90 89 CONECT 91 89 92 97 CONECT 92 91 93 CONECT 93 92 94 CONECT 94 93 95 96 CONECT 95 94 CONECT 96 94 CONECT 97 91 98 CONECT 98 97 4 99 CONECT 99 98 CONECT 100 38 101 102 CONECT 101 100 CONECT 102 100 103 CONECT 103 102 104 112 CONECT 104 103 105 CONECT 105 104 106 111 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 109 110 CONECT 109 108 CONECT 110 108 111 CONECT 111 110 105 CONECT 112 103 113 114 CONECT 113 112 CONECT 114 112 115 CONECT 115 114 116 120 CONECT 116 115 117 CONECT 117 116 118 119 CONECT 118 117 CONECT 119 117 CONECT 120 115 121 122 CONECT 121 120 CONECT 122 120 123 CONECT 123 122 124 128 CONECT 124 123 125 CONECT 125 124 126 127 CONECT 126 125 CONECT 127 125 CONECT 128 123 129 130 CONECT 129 128 CONECT 130 128 131 134 CONECT 131 130 132 CONECT 132 131 133 CONECT 133 132 134 CONECT 134 133 130 135 CONECT 135 134 136 137 CONECT 136 135 CONECT 137 135 138 CONECT 138 137 139 144 CONECT 139 138 140 CONECT 140 139 141 CONECT 141 140 142 CONECT 142 141 143 CONECT 143 142 CONECT 144 138 145 146 CONECT 145 144 CONECT 146 144 33 MASTER 0 0 0 0 0 0 0 0 146 0 300 0 END