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 -2.254 0.652 -3.332 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.622 -0.774 -3.721 0.00 0.00 C+0 HETATM 3 O UNK 0 -1.430 -1.570 -3.709 0.00 0.00 O+0 HETATM 4 C UNK 0 -1.598 -2.824 -4.388 0.00 0.00 C+0 HETATM 5 O UNK 0 -0.658 -3.803 -3.938 0.00 0.00 O+0 HETATM 6 C UNK 0 0.615 -3.323 -3.468 0.00 0.00 C+0 HETATM 7 C UNK 0 1.415 -4.545 -2.942 0.00 0.00 C+0 HETATM 8 O UNK 0 2.551 -4.119 -2.178 0.00 0.00 O+0 HETATM 9 C UNK 0 2.326 -3.918 -0.849 0.00 0.00 C+0 HETATM 10 O UNK 0 1.249 -4.118 -0.304 0.00 0.00 O+0 HETATM 11 C UNK 0 3.610 -3.428 -0.142 0.00 0.00 C+0 HETATM 12 C UNK 0 4.586 -4.630 -0.201 0.00 0.00 C+0 HETATM 13 C UNK 0 5.786 -4.530 0.734 0.00 0.00 C+0 HETATM 14 C UNK 0 5.391 -4.264 2.196 0.00 0.00 C+0 HETATM 15 C UNK 0 4.650 -5.469 2.805 0.00 0.00 C+0 HETATM 16 C UNK 0 6.671 -4.031 3.023 0.00 0.00 C+0 HETATM 17 C UNK 0 4.522 -2.991 2.249 0.00 0.00 C+0 HETATM 18 C UNK 0 3.283 -3.024 1.324 0.00 0.00 C+0 HETATM 19 C UNK 0 2.475 -1.718 1.438 0.00 0.00 C+0 HETATM 20 C UNK 0 1.519 -1.656 2.383 0.00 0.00 C+0 HETATM 21 C UNK 0 0.536 -0.547 2.576 0.00 0.00 C+0 HETATM 22 C UNK 0 0.764 0.720 1.717 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.458 1.771 1.756 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.776 1.042 2.153 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.163 2.783 2.908 0.00 0.00 C+0 HETATM 26 C UNK 0 0.586 4.013 2.408 0.00 0.00 C+0 HETATM 27 O UNK 0 1.049 4.747 3.542 0.00 0.00 O+0 HETATM 28 C UNK 0 -0.275 4.877 1.444 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.996 5.870 2.205 0.00 0.00 O+0 HETATM 30 C UNK 0 -0.494 7.202 2.021 0.00 0.00 C+0 HETATM 31 O UNK 0 0.846 7.286 2.511 0.00 0.00 O+0 HETATM 32 C UNK 0 1.390 8.600 2.316 0.00 0.00 C+0 HETATM 33 C UNK 0 2.869 8.589 2.734 0.00 0.00 C+0 HETATM 34 O UNK 0 3.529 9.808 2.413 0.00 0.00 O+0 HETATM 35 C UNK 0 0.594 9.636 3.135 0.00 0.00 C+0 HETATM 36 O UNK 0 1.087 10.957 2.885 0.00 0.00 O+0 HETATM 37 C UNK 0 -0.897 9.572 2.789 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.081 10.125 1.471 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.417 8.136 2.828 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.755 8.115 2.305 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.284 4.029 0.598 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.711 4.063 1.197 0.00 0.00 C+0 HETATM 43 C UNK 0 -1.462 4.722 -0.760 0.00 0.00 C+0 HETATM 44 O UNK 0 -1.056 5.828 -1.078 0.00 0.00 O+0 HETATM 45 O UNK 0 -2.182 4.002 -1.643 0.00 0.00 O+0 HETATM 46 C UNK 0 -0.728 2.555 0.400 0.00 0.00 C+0 HETATM 47 C UNK 0 0.425 2.565 -0.637 0.00 0.00 C+0 HETATM 48 C UNK 0 1.626 1.678 -0.391 0.00 0.00 C+0 HETATM 49 C UNK 0 1.336 0.345 0.313 0.00 0.00 C+0 HETATM 50 C UNK 0 0.273 -0.451 -0.492 0.00 0.00 C+0 HETATM 51 C UNK 0 2.716 -0.536 0.473 0.00 0.00 C+0 HETATM 52 C UNK 0 3.892 0.312 1.088 0.00 0.00 C+0 HETATM 53 O UNK 0 4.437 1.264 0.178 0.00 0.00 O+0 HETATM 54 C UNK 0 3.179 -1.054 -0.928 0.00 0.00 C+0 HETATM 55 C UNK 0 4.190 -2.203 -0.880 0.00 0.00 C+0 HETATM 56 O UNK 0 1.822 -5.424 -4.006 0.00 0.00 O+0 HETATM 57 C UNK 0 2.546 -4.833 -5.089 0.00 0.00 C+0 HETATM 58 C UNK 0 4.013 -4.604 -4.722 0.00 0.00 C+0 HETATM 59 C UNK 0 1.835 -3.597 -5.656 0.00 0.00 C+0 HETATM 60 O UNK 0 2.636 -2.928 -6.635 0.00 0.00 O+0 HETATM 61 C UNK 0 1.464 -2.617 -4.541 0.00 0.00 C+0 HETATM 62 O UNK 0 0.822 -1.482 -5.144 0.00 0.00 O+0 HETATM 63 C UNK 0 -3.014 -3.436 -4.196 0.00 0.00 C+0 HETATM 64 O UNK 0 -3.935 -3.035 -5.229 0.00 0.00 O+0 HETATM 65 C UNK 0 -3.587 -2.952 -2.862 0.00 0.00 C+0 HETATM 66 O UNK 0 -4.897 -3.516 -2.653 0.00 0.00 O+0 HETATM 67 C UNK 0 -3.687 -1.412 -2.797 0.00 0.00 C+0 HETATM 68 O UNK 0 -3.484 -0.970 -1.442 0.00 0.00 O+0 HETATM 69 C UNK 0 -4.617 -1.138 -0.580 0.00 0.00 C+0 HETATM 70 O UNK 0 -4.694 0.036 0.238 0.00 0.00 O+0 HETATM 71 C UNK 0 -5.789 -0.017 1.158 0.00 0.00 C+0 HETATM 72 C UNK 0 -5.715 -1.239 2.083 0.00 0.00 C+0 HETATM 73 O UNK 0 -6.915 -2.013 1.922 0.00 0.00 O+0 HETATM 74 C UNK 0 -4.454 -2.067 1.780 0.00 0.00 C+0 HETATM 75 O UNK 0 -4.470 -3.240 2.615 0.00 0.00 O+0 HETATM 76 C UNK 0 -3.163 -3.770 2.875 0.00 0.00 C+0 HETATM 77 O UNK 0 -2.534 -4.245 1.695 0.00 0.00 O+0 HETATM 78 C UNK 0 -1.152 -4.571 1.910 0.00 0.00 C+0 HETATM 79 C UNK 0 -0.863 -5.159 3.298 0.00 0.00 C+0 HETATM 80 O UNK 0 -0.493 -4.103 4.203 0.00 0.00 O+0 HETATM 81 C UNK 0 -2.100 -5.865 3.858 0.00 0.00 C+0 HETATM 82 O UNK 0 -1.820 -6.310 5.197 0.00 0.00 O+0 HETATM 83 C UNK 0 -3.345 -4.956 3.844 0.00 0.00 C+0 HETATM 84 O UNK 0 -3.645 -4.504 5.180 0.00 0.00 O+0 HETATM 85 C UNK 0 -4.441 -2.417 0.281 0.00 0.00 C+0 HETATM 86 O UNK 0 -5.521 -3.338 -0.003 0.00 0.00 O+0 HETATM 87 H UNK 0 -3.136 1.300 -3.318 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.773 0.690 -2.351 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.530 1.062 -4.044 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.996 -0.739 -4.752 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.424 -2.658 -5.458 0.00 0.00 H+0 HETATM 92 H UNK 0 0.432 -2.637 -2.635 0.00 0.00 H+0 HETATM 93 H UNK 0 0.756 -5.167 -2.326 0.00 0.00 H+0 HETATM 94 H UNK 0 4.043 -5.558 0.023 0.00 0.00 H+0 HETATM 95 H UNK 0 4.957 -4.760 -1.227 0.00 0.00 H+0 HETATM 96 H UNK 0 6.370 -5.457 0.664 0.00 0.00 H+0 HETATM 97 H UNK 0 6.447 -3.729 0.376 0.00 0.00 H+0 HETATM 98 H UNK 0 3.724 -5.709 2.275 0.00 0.00 H+0 HETATM 99 H UNK 0 4.385 -5.276 3.851 0.00 0.00 H+0 HETATM 100 H UNK 0 5.279 -6.366 2.783 0.00 0.00 H+0 HETATM 101 H UNK 0 6.431 -3.818 4.071 0.00 0.00 H+0 HETATM 102 H UNK 0 7.322 -4.913 3.001 0.00 0.00 H+0 HETATM 103 H UNK 0 7.248 -3.184 2.636 0.00 0.00 H+0 HETATM 104 H UNK 0 4.199 -2.811 3.284 0.00 0.00 H+0 HETATM 105 H UNK 0 5.164 -2.147 1.987 0.00 0.00 H+0 HETATM 106 H UNK 0 2.644 -3.823 1.728 0.00 0.00 H+0 HETATM 107 H UNK 0 1.368 -2.504 3.051 0.00 0.00 H+0 HETATM 108 H UNK 0 0.526 -0.266 3.636 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.434 -1.004 2.353 0.00 0.00 H+0 HETATM 110 H UNK 0 1.587 1.244 2.218 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.642 1.704 2.170 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.016 0.243 1.447 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.719 0.616 3.161 0.00 0.00 H+0 HETATM 114 H UNK 0 0.403 2.301 3.715 0.00 0.00 H+0 HETATM 115 H UNK 0 -1.083 3.111 3.407 0.00 0.00 H+0 HETATM 116 H UNK 0 1.484 3.686 1.876 0.00 0.00 H+0 HETATM 117 H UNK 0 1.103 5.686 3.271 0.00 0.00 H+0 HETATM 118 H UNK 0 0.440 5.384 0.782 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.535 7.446 0.952 0.00 0.00 H+0 HETATM 120 H UNK 0 1.352 8.860 1.249 0.00 0.00 H+0 HETATM 121 H UNK 0 2.970 8.405 3.809 0.00 0.00 H+0 HETATM 122 H UNK 0 3.396 7.774 2.226 0.00 0.00 H+0 HETATM 123 H UNK 0 2.948 10.537 2.719 0.00 0.00 H+0 HETATM 124 H UNK 0 0.715 9.424 4.205 0.00 0.00 H+0 HETATM 125 H UNK 0 0.590 11.271 2.098 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.475 10.215 3.460 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.011 9.914 1.240 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.464 7.796 3.870 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.004 7.170 2.278 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.182 5.043 1.050 0.00 0.00 H+0 HETATM 131 H UNK 0 -3.365 3.334 0.704 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.730 3.868 2.271 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.234 4.572 -2.439 0.00 0.00 H+0 HETATM 134 H UNK 0 -1.533 2.004 -0.109 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.002 2.288 -1.611 0.00 0.00 H+0 HETATM 136 H UNK 0 0.817 3.578 -0.788 0.00 0.00 H+0 HETATM 137 H UNK 0 2.129 1.511 -1.351 0.00 0.00 H+0 HETATM 138 H UNK 0 2.316 2.272 0.216 0.00 0.00 H+0 HETATM 139 H UNK 0 0.228 -1.503 -0.196 0.00 0.00 H+0 HETATM 140 H UNK 0 0.477 -0.413 -1.567 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.735 -0.058 -0.364 0.00 0.00 H+0 HETATM 142 H UNK 0 4.732 -0.321 1.369 0.00 0.00 H+0 HETATM 143 H UNK 0 3.589 0.839 1.996 0.00 0.00 H+0 HETATM 144 H UNK 0 5.131 1.749 0.659 0.00 0.00 H+0 HETATM 145 H UNK 0 2.329 -1.401 -1.519 0.00 0.00 H+0 HETATM 146 H UNK 0 3.611 -0.240 -1.521 0.00 0.00 H+0 HETATM 147 H UNK 0 5.118 -1.863 -0.408 0.00 0.00 H+0 HETATM 148 H UNK 0 4.459 -2.466 -1.911 0.00 0.00 H+0 HETATM 149 H UNK 0 2.559 -5.592 -5.882 0.00 0.00 H+0 HETATM 150 H UNK 0 4.146 -3.751 -4.052 0.00 0.00 H+0 HETATM 151 H UNK 0 4.422 -5.482 -4.212 0.00 0.00 H+0 HETATM 152 H UNK 0 4.615 -4.414 -5.617 0.00 0.00 H+0 HETATM 153 H UNK 0 0.918 -3.912 -6.168 0.00 0.00 H+0 HETATM 154 H UNK 0 2.209 -2.055 -6.758 0.00 0.00 H+0 HETATM 155 H UNK 0 2.376 -2.215 -4.084 0.00 0.00 H+0 HETATM 156 H UNK 0 0.285 -1.053 -4.445 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.987 -4.532 -4.221 0.00 0.00 H+0 HETATM 158 H UNK 0 -3.630 -3.453 -6.058 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.951 -3.328 -2.053 0.00 0.00 H+0 HETATM 160 H UNK 0 -5.333 -3.484 -3.531 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.670 -1.054 -3.130 0.00 0.00 H+0 HETATM 162 H UNK 0 -5.538 -1.183 -1.174 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.731 0.027 0.600 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.727 0.896 1.760 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.714 -0.921 3.132 0.00 0.00 H+0 HETATM 166 H UNK 0 -6.658 -2.828 1.435 0.00 0.00 H+0 HETATM 167 H UNK 0 -3.576 -1.459 2.030 0.00 0.00 H+0 HETATM 168 H UNK 0 -2.576 -2.969 3.341 0.00 0.00 H+0 HETATM 169 H UNK 0 -0.564 -3.667 1.730 0.00 0.00 H+0 HETATM 170 H UNK 0 -0.894 -5.304 1.139 0.00 0.00 H+0 HETATM 171 H UNK 0 0.001 -5.830 3.258 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.476 -4.526 5.086 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.298 -6.754 3.247 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.482 -5.846 5.758 0.00 0.00 H+0 HETATM 175 H UNK 0 -4.206 -5.563 3.535 0.00 0.00 H+0 HETATM 176 H UNK 0 -4.425 -3.922 5.081 0.00 0.00 H+0 HETATM 177 H UNK 0 -3.519 -2.938 0.022 0.00 0.00 H+0 HETATM 178 H UNK 0 -5.379 -3.635 -0.931 0.00 0.00 H+0 CONECT 1 2 87 88 89 CONECT 2 3 67 1 90 CONECT 3 4 2 CONECT 4 3 63 5 91 CONECT 5 6 4 CONECT 6 61 7 5 92 CONECT 7 56 6 8 93 CONECT 8 9 7 CONECT 9 10 8 11 CONECT 10 9 CONECT 11 55 18 12 9 CONECT 12 11 13 94 95 CONECT 13 12 14 96 97 CONECT 14 16 13 17 15 CONECT 15 14 98 99 100 CONECT 16 14 101 102 103 CONECT 17 18 14 104 105 CONECT 18 19 11 17 106 CONECT 19 18 20 51 CONECT 20 19 21 107 CONECT 21 22 20 108 109 CONECT 22 49 21 23 110 CONECT 23 46 22 25 24 CONECT 24 23 111 112 113 CONECT 25 26 23 114 115 CONECT 26 28 25 27 116 CONECT 27 26 117 CONECT 28 26 41 29 118 CONECT 29 30 28 CONECT 30 29 31 39 119 CONECT 31 30 32 CONECT 32 31 35 33 120 CONECT 33 34 32 121 122 CONECT 34 33 123 CONECT 35 32 37 36 124 CONECT 36 35 125 CONECT 37 38 35 39 126 CONECT 38 37 127 CONECT 39 40 37 30 128 CONECT 40 39 129 CONECT 41 43 28 46 42 CONECT 42 41 130 131 132 CONECT 43 41 44 45 CONECT 44 43 CONECT 45 43 133 CONECT 46 23 47 41 134 CONECT 47 46 48 135 136 CONECT 48 47 49 137 138 CONECT 49 22 51 48 50 CONECT 50 49 139 140 141 CONECT 51 52 54 49 19 CONECT 52 51 53 142 143 CONECT 53 52 144 CONECT 54 51 55 145 146 CONECT 55 54 11 147 148 CONECT 56 7 57 CONECT 57 56 59 58 149 CONECT 58 57 150 151 152 CONECT 59 57 60 61 153 CONECT 60 59 154 CONECT 61 6 59 62 155 CONECT 62 61 156 CONECT 63 65 4 64 157 CONECT 64 63 158 CONECT 65 67 63 66 159 CONECT 66 65 160 CONECT 67 2 65 68 161 CONECT 68 69 67 CONECT 69 70 85 68 162 CONECT 70 69 71 CONECT 71 70 72 163 164 CONECT 72 71 74 73 165 CONECT 73 72 166 CONECT 74 72 85 75 167 CONECT 75 76 74 CONECT 76 77 83 75 168 CONECT 77 76 78 CONECT 78 77 79 169 170 CONECT 79 78 81 80 171 CONECT 80 79 172 CONECT 81 79 83 82 173 CONECT 82 81 174 CONECT 83 81 76 84 175 CONECT 84 83 176 CONECT 85 74 69 86 177 CONECT 86 85 178 CONECT 87 1 CONECT 88 1 CONECT 89 1 CONECT 90 2 CONECT 91 4 CONECT 92 6 CONECT 93 7 CONECT 94 12 CONECT 95 12 CONECT 96 13 CONECT 97 13 CONECT 98 15 CONECT 99 15 CONECT 100 15 CONECT 101 16 CONECT 102 16 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 18 CONECT 107 20 CONECT 108 21 CONECT 109 21 CONECT 110 22 CONECT 111 24 CONECT 112 24 CONECT 113 24 CONECT 114 25 CONECT 115 25 CONECT 116 26 CONECT 117 27 CONECT 118 28 CONECT 119 30 CONECT 120 32 CONECT 121 33 CONECT 122 33 CONECT 123 34 CONECT 124 35 CONECT 125 36 CONECT 126 37 CONECT 127 38 CONECT 128 39 CONECT 129 40 CONECT 130 42 CONECT 131 42 CONECT 132 42 CONECT 133 45 CONECT 134 46 CONECT 135 47 CONECT 136 47 CONECT 137 48 CONECT 138 48 CONECT 139 50 CONECT 140 50 CONECT 141 50 CONECT 142 52 CONECT 143 52 CONECT 144 53 CONECT 145 54 CONECT 146 54 CONECT 147 55 CONECT 148 55 CONECT 149 57 CONECT 150 58 CONECT 151 58 CONECT 152 58 CONECT 153 59 CONECT 154 60 CONECT 155 61 CONECT 156 62 CONECT 157 63 CONECT 158 64 CONECT 159 65 CONECT 160 66 CONECT 161 67 CONECT 162 69 CONECT 163 71 CONECT 164 71 CONECT 165 72 CONECT 166 73 CONECT 167 74 CONECT 168 76 CONECT 169 78 CONECT 170 78 CONECT 171 79 CONECT 172 80 CONECT 173 81 CONECT 174 82 CONECT 175 83 CONECT 176 84 CONECT 177 85 CONECT 178 86 MASTER 0 0 0 0 0 0 0 0 178 0 374 0 END