HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -2.057 8.526 -1.264 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.753 7.221 -1.147 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.983 6.531 0.176 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.085 6.380 -2.233 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.497 7.109 -3.448 0.00 0.00 C+0 HETATM 6 C UNK 0 0.132 5.972 -4.268 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.900 4.802 -4.083 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.475 4.369 -5.449 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.309 3.530 -3.434 0.00 0.00 C+0 HETATM 10 C UNK 0 0.958 3.132 -3.675 0.00 0.00 C+0 HETATM 11 C UNK 0 1.562 1.833 -3.224 0.00 0.00 C+0 HETATM 12 C UNK 0 0.509 0.811 -2.753 0.00 0.00 C+0 HETATM 13 C UNK 0 1.110 -0.578 -2.302 0.00 0.00 C+0 HETATM 14 C UNK 0 2.245 -0.483 -1.258 0.00 0.00 C+0 HETATM 15 C UNK 0 1.750 -1.271 -3.538 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.046 -1.502 -1.800 0.00 0.00 C+0 HETATM 17 O UNK 0 0.498 -2.705 -1.228 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.294 -3.879 -1.521 0.00 0.00 C+0 HETATM 19 O UNK 0 -0.367 -4.109 -2.926 0.00 0.00 O+0 HETATM 20 C UNK 0 0.627 -5.005 -3.413 0.00 0.00 C+0 HETATM 21 C UNK 0 0.447 -6.407 -2.837 0.00 0.00 C+0 HETATM 22 O UNK 0 -0.513 -7.099 -3.632 0.00 0.00 O+0 HETATM 23 S UNK 0 -0.280 -8.694 -3.862 0.00 0.00 S+0 HETATM 24 O UNK 0 -1.497 -9.123 -4.537 0.00 0.00 O+0 HETATM 25 O UNK 0 0.933 -8.737 -4.670 0.00 0.00 O+0 HETATM 26 O UNK 0 -0.119 -9.200 -2.499 0.00 0.00 O-1 HETATM 27 C UNK 0 -0.056 -6.383 -1.381 0.00 0.00 C+0 HETATM 28 O UNK 0 0.562 -7.466 -0.665 0.00 0.00 O+0 HETATM 29 C UNK 0 0.308 -5.056 -0.709 0.00 0.00 C+0 HETATM 30 O UNK 0 -0.206 -4.945 0.635 0.00 0.00 O+0 HETATM 31 C UNK 0 0.641 -5.464 1.662 0.00 0.00 C+0 HETATM 32 O UNK 0 -0.163 -5.746 2.818 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.444 -4.640 3.683 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.865 -4.823 4.208 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.261 -3.280 3.002 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.522 -2.199 3.911 0.00 0.00 O+0 HETATM 37 C UNK 0 -1.191 -1.092 3.300 0.00 0.00 C+0 HETATM 38 O UNK 0 -2.532 -1.089 3.771 0.00 0.00 O+0 HETATM 39 C UNK 0 -3.303 -0.006 3.233 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.763 -0.184 3.669 0.00 0.00 C+0 HETATM 41 O UNK 0 -5.334 -1.298 2.979 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.719 1.313 3.743 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.455 2.434 3.242 0.00 0.00 O+0 HETATM 44 C UNK 0 -1.256 1.441 3.293 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.759 2.662 3.887 0.00 0.00 O+0 HETATM 46 C UNK 0 0.446 3.143 3.284 0.00 0.00 C+0 HETATM 47 O UNK 0 0.277 4.512 2.908 0.00 0.00 O+0 HETATM 48 C UNK 0 0.027 5.385 4.009 0.00 0.00 C+0 HETATM 49 C UNK 0 0.901 5.098 5.229 0.00 0.00 C+0 HETATM 50 O UNK 0 1.313 6.326 5.844 0.00 0.00 O+0 HETATM 51 C UNK 0 2.124 4.259 4.849 0.00 0.00 C+0 HETATM 52 O UNK 0 2.881 4.086 6.072 0.00 0.00 O+0 HETATM 53 C UNK 0 4.141 3.455 5.870 0.00 0.00 C+0 HETATM 54 C UNK 0 1.649 2.932 4.239 0.00 0.00 C+0 HETATM 55 O UNK 0 2.736 2.313 3.522 0.00 0.00 O+0 HETATM 56 C UNK 0 -0.438 0.200 3.697 0.00 0.00 C+0 HETATM 57 O UNK 0 0.865 0.273 3.071 0.00 0.00 O+0 HETATM 58 C UNK 0 1.204 -3.159 2.549 0.00 0.00 C+0 HETATM 59 O UNK 0 1.300 -2.068 1.609 0.00 0.00 O+0 HETATM 60 C UNK 0 1.785 -4.472 1.985 0.00 0.00 C+0 HETATM 61 O UNK 0 2.657 -5.082 2.960 0.00 0.00 O+0 HETATM 62 C UNK 0 4.033 -4.731 2.775 0.00 0.00 C+0 HETATM 63 O UNK 0 4.220 -3.326 2.899 0.00 0.00 O+0 HETATM 64 C UNK 0 5.586 -2.930 2.725 0.00 0.00 C+0 HETATM 65 C UNK 0 5.632 -1.407 2.801 0.00 0.00 C+0 HETATM 66 C UNK 0 6.479 -3.577 3.794 0.00 0.00 C+0 HETATM 67 O UNK 0 7.857 -3.261 3.579 0.00 0.00 O+0 HETATM 68 C UNK 0 6.304 -5.097 3.761 0.00 0.00 C+0 HETATM 69 O UNK 0 7.046 -5.682 4.844 0.00 0.00 O+0 HETATM 70 C UNK 0 4.829 -5.474 3.863 0.00 0.00 C+0 HETATM 71 O UNK 0 4.709 -6.899 3.735 0.00 0.00 O+0 HETATM 72 C UNK 0 -0.922 -0.814 -0.754 0.00 0.00 C+0 HETATM 73 C UNK 0 -1.551 0.461 -1.298 0.00 0.00 C+0 HETATM 74 C UNK 0 -0.513 1.504 -1.785 0.00 0.00 C+0 HETATM 75 C UNK 0 0.173 2.139 -0.549 0.00 0.00 C+0 HETATM 76 C UNK 0 -1.261 2.637 -2.621 0.00 0.00 C+0 HETATM 77 C UNK 0 -2.242 3.456 -1.753 0.00 0.00 C+0 HETATM 78 C UNK 0 -2.954 4.550 -2.535 0.00 0.00 C+0 HETATM 79 C UNK 0 -1.958 5.503 -3.158 0.00 0.00 C+0 HETATM 80 C UNK 0 -2.605 6.604 -3.981 0.00 0.00 C+0 HETATM 81 O UNK 0 -3.733 6.639 -4.437 0.00 0.00 O+0 HETATM 82 O UNK 0 -1.643 7.566 -4.182 0.00 0.00 O+0 HETATM 83 Na UNK 0 2.961 3.585 6.278 0.00 0.00 Na+1 HETATM 84 H UNK 0 -2.505 9.078 -0.441 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.888 9.097 -2.172 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.787 5.796 0.102 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.071 6.024 0.507 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.262 7.238 0.965 0.00 0.00 H+0 HETATM 89 H UNK 0 -0.290 5.804 -1.740 0.00 0.00 H+0 HETATM 90 H UNK 0 0.186 7.933 -3.227 0.00 0.00 H+0 HETATM 91 H UNK 0 0.248 6.257 -5.319 0.00 0.00 H+0 HETATM 92 H UNK 0 1.119 5.753 -3.851 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.707 3.883 -6.064 0.00 0.00 H+0 HETATM 94 H UNK 0 -2.303 3.661 -5.334 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.846 5.218 -6.032 0.00 0.00 H+0 HETATM 96 H UNK 0 1.619 3.728 -4.300 0.00 0.00 H+0 HETATM 97 H UNK 0 2.292 2.055 -2.440 0.00 0.00 H+0 HETATM 98 H UNK 0 2.119 1.422 -4.073 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.084 0.563 -3.651 0.00 0.00 H+0 HETATM 100 H UNK 0 3.039 0.200 -1.576 0.00 0.00 H+0 HETATM 101 H UNK 0 2.726 -1.458 -1.109 0.00 0.00 H+0 HETATM 102 H UNK 0 1.899 -0.166 -0.276 0.00 0.00 H+0 HETATM 103 H UNK 0 2.609 -0.711 -3.921 0.00 0.00 H+0 HETATM 104 H UNK 0 2.115 -2.273 -3.290 0.00 0.00 H+0 HETATM 105 H UNK 0 1.027 -1.377 -4.354 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.681 -1.744 -2.663 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.315 -3.686 -1.172 0.00 0.00 H+0 HETATM 108 H UNK 0 0.549 -5.021 -4.505 0.00 0.00 H+0 HETATM 109 H UNK 0 1.616 -4.606 -3.157 0.00 0.00 H+0 HETATM 110 H UNK 0 1.416 -6.917 -2.909 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.138 -6.548 -1.318 0.00 0.00 H+0 HETATM 112 H UNK 0 0.308 -8.290 -1.164 0.00 0.00 H+0 HETATM 113 H UNK 0 1.399 -4.954 -0.681 0.00 0.00 H+0 HETATM 114 H UNK 0 1.067 -6.426 1.369 0.00 0.00 H+0 HETATM 115 H UNK 0 0.233 -4.713 4.544 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.975 -5.807 4.676 0.00 0.00 H+0 HETATM 117 H UNK 0 -2.590 -4.781 3.388 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.126 -4.058 4.946 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.942 -3.214 2.144 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.192 -1.184 2.209 0.00 0.00 H+0 HETATM 121 H UNK 0 -3.268 -0.053 2.136 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.824 -0.388 4.743 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.367 0.695 3.429 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.196 -1.476 3.390 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.768 1.356 4.838 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.911 3.220 3.450 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.240 1.571 2.203 0.00 0.00 H+0 HETATM 128 H UNK 0 0.634 2.626 2.338 0.00 0.00 H+0 HETATM 129 H UNK 0 0.182 6.408 3.650 0.00 0.00 H+0 HETATM 130 H UNK 0 -1.033 5.315 4.280 0.00 0.00 H+0 HETATM 131 H UNK 0 0.312 4.567 5.987 0.00 0.00 H+0 HETATM 132 H UNK 0 2.033 6.067 6.454 0.00 0.00 H+0 HETATM 133 H UNK 0 2.759 4.820 4.150 0.00 0.00 H+0 HETATM 134 H UNK 0 4.729 3.577 6.784 0.00 0.00 H+0 HETATM 135 H UNK 0 4.010 2.384 5.699 0.00 0.00 H+0 HETATM 136 H UNK 0 4.688 3.917 5.043 0.00 0.00 H+0 HETATM 137 H UNK 0 1.387 2.233 5.043 0.00 0.00 H+0 HETATM 138 H UNK 0 2.383 1.443 3.229 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.257 0.213 4.778 0.00 0.00 H+0 HETATM 140 H UNK 0 1.090 -0.628 2.739 0.00 0.00 H+0 HETATM 141 H UNK 0 1.798 -2.835 3.412 0.00 0.00 H+0 HETATM 142 H UNK 0 1.046 -2.413 0.725 0.00 0.00 H+0 HETATM 143 H UNK 0 2.355 -4.260 1.073 0.00 0.00 H+0 HETATM 144 H UNK 0 4.341 -5.075 1.778 0.00 0.00 H+0 HETATM 145 H UNK 0 5.919 -3.224 1.721 0.00 0.00 H+0 HETATM 146 H UNK 0 4.968 -0.969 2.048 0.00 0.00 H+0 HETATM 147 H UNK 0 6.644 -1.025 2.635 0.00 0.00 H+0 HETATM 148 H UNK 0 5.277 -1.053 3.775 0.00 0.00 H+0 HETATM 149 H UNK 0 6.212 -3.205 4.791 0.00 0.00 H+0 HETATM 150 H UNK 0 8.349 -3.851 4.186 0.00 0.00 H+0 HETATM 151 H UNK 0 6.746 -5.512 2.846 0.00 0.00 H+0 HETATM 152 H UNK 0 6.748 -6.615 4.875 0.00 0.00 H+0 HETATM 153 H UNK 0 4.447 -5.219 4.859 0.00 0.00 H+0 HETATM 154 H UNK 0 3.749 -7.076 3.655 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.344 -0.596 0.149 0.00 0.00 H+0 HETATM 156 H UNK 0 -1.716 -1.496 -0.428 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.219 0.190 -2.126 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.190 0.887 -0.515 0.00 0.00 H+0 HETATM 159 H UNK 0 -0.568 2.521 0.161 0.00 0.00 H+0 HETATM 160 H UNK 0 0.771 1.430 0.018 0.00 0.00 H+0 HETATM 161 H UNK 0 0.823 2.979 -0.812 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.878 2.123 -3.375 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.005 2.798 -1.324 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.718 3.919 -0.913 0.00 0.00 H+0 HETATM 165 H UNK 0 -3.655 5.083 -1.885 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.575 4.089 -3.314 0.00 0.00 H+0 CONECT 1 2 84 85 CONECT 2 4 1 3 CONECT 3 2 86 87 88 CONECT 4 5 79 2 89 CONECT 5 6 4 82 90 CONECT 6 7 5 91 92 CONECT 7 9 79 6 8 CONECT 8 7 93 94 95 CONECT 9 7 10 76 CONECT 10 11 9 96 CONECT 11 12 10 97 98 CONECT 12 74 11 13 99 CONECT 13 14 15 16 12 CONECT 14 13 100 101 102 CONECT 15 13 103 104 105 CONECT 16 72 17 13 106 CONECT 17 18 16 CONECT 18 17 29 19 107 CONECT 19 18 20 CONECT 20 19 21 108 109 CONECT 21 27 20 22 110 CONECT 22 23 21 CONECT 23 22 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 CONECT 27 28 21 29 111 CONECT 28 27 112 CONECT 29 30 27 18 113 CONECT 30 29 31 CONECT 31 60 32 30 114 CONECT 32 33 31 CONECT 33 35 32 34 115 CONECT 34 33 116 117 118 CONECT 35 58 33 36 119 CONECT 36 37 35 CONECT 37 56 38 36 120 CONECT 38 37 39 CONECT 39 38 42 40 121 CONECT 40 41 39 122 123 CONECT 41 40 124 CONECT 42 44 39 43 125 CONECT 43 42 126 CONECT 44 42 56 45 127 CONECT 45 46 44 CONECT 46 45 54 47 128 CONECT 47 46 48 CONECT 48 47 49 129 130 CONECT 49 48 51 50 131 CONECT 50 49 132 CONECT 51 54 52 49 133 CONECT 52 51 53 CONECT 53 52 134 135 136 CONECT 54 51 46 55 137 CONECT 55 54 138 CONECT 56 44 37 57 139 CONECT 57 56 140 CONECT 58 60 35 59 141 CONECT 59 58 142 CONECT 60 31 58 61 143 CONECT 61 62 60 CONECT 62 70 63 61 144 CONECT 63 62 64 CONECT 64 63 66 65 145 CONECT 65 64 146 147 148 CONECT 66 68 64 67 149 CONECT 67 66 150 CONECT 68 69 66 70 151 CONECT 69 68 152 CONECT 70 71 68 62 153 CONECT 71 70 154 CONECT 72 16 73 155 156 CONECT 73 72 74 157 158 CONECT 74 12 75 76 73 CONECT 75 74 159 160 161 CONECT 76 77 74 9 162 CONECT 77 76 78 163 164 CONECT 78 79 77 165 166 CONECT 79 78 7 4 80 CONECT 80 79 81 82 CONECT 81 80 CONECT 82 80 5 CONECT 84 1 CONECT 85 1 CONECT 86 3 CONECT 87 3 CONECT 88 3 CONECT 89 4 CONECT 90 5 CONECT 91 6 CONECT 92 6 CONECT 93 8 CONECT 94 8 CONECT 95 8 CONECT 96 10 CONECT 97 11 CONECT 98 11 CONECT 99 12 CONECT 100 14 CONECT 101 14 CONECT 102 14 CONECT 103 15 CONECT 104 15 CONECT 105 15 CONECT 106 16 CONECT 107 18 CONECT 108 20 CONECT 109 20 CONECT 110 21 CONECT 111 27 CONECT 112 28 CONECT 113 29 CONECT 114 31 CONECT 115 33 CONECT 116 34 CONECT 117 34 CONECT 118 34 CONECT 119 35 CONECT 120 37 CONECT 121 39 CONECT 122 40 CONECT 123 40 CONECT 124 41 CONECT 125 42 CONECT 126 43 CONECT 127 44 CONECT 128 46 CONECT 129 48 CONECT 130 48 CONECT 131 49 CONECT 132 50 CONECT 133 51 CONECT 134 53 CONECT 135 53 CONECT 136 53 CONECT 137 54 CONECT 138 55 CONECT 139 56 CONECT 140 57 CONECT 141 58 CONECT 142 59 CONECT 143 60 CONECT 144 62 CONECT 145 64 CONECT 146 65 CONECT 147 65 CONECT 148 65 CONECT 149 66 CONECT 150 67 CONECT 151 68 CONECT 152 69 CONECT 153 70 CONECT 154 71 CONECT 155 72 CONECT 156 72 CONECT 157 73 CONECT 158 73 CONECT 159 75 CONECT 160 75 CONECT 161 75 CONECT 162 76 CONECT 163 77 CONECT 164 77 CONECT 165 78 CONECT 166 78 MASTER 0 0 0 0 0 0 0 0 166 0 348 0 END