HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -1.768 -4.574 0.964 0.00 0.00 C+0 HETATM 2 O UNK 0 -1.775 -3.326 0.339 0.00 0.00 O+0 HETATM 3 C UNK 0 -1.484 -3.426 -1.005 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.570 -2.793 -1.830 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.714 -1.373 -1.498 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.787 -1.009 -0.490 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.182 -1.355 -0.829 0.00 0.00 C+0 HETATM 8 O UNK 0 -5.549 -2.609 -1.021 0.00 0.00 O+0 HETATM 9 C UNK 0 -6.266 -3.338 -0.132 0.00 0.00 C+0 HETATM 10 O UNK 0 -7.457 -3.708 -0.778 0.00 0.00 O+0 HETATM 11 C UNK 0 -5.591 -4.701 0.154 0.00 0.00 C+0 HETATM 12 C UNK 0 -5.457 -5.498 -1.105 0.00 0.00 C+0 HETATM 13 C UNK 0 -6.555 -5.444 1.025 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.258 -5.805 2.211 0.00 0.00 O+0 HETATM 15 O UNK 0 -7.824 -5.777 0.580 0.00 0.00 O+0 HETATM 16 C UNK 0 -6.649 -2.719 1.158 0.00 0.00 C+0 HETATM 17 C UNK 0 -8.118 -2.853 1.491 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.221 -1.273 1.349 0.00 0.00 C+0 HETATM 19 O UNK 0 -7.103 -0.777 2.297 0.00 0.00 O+0 HETATM 20 C UNK 0 -6.576 -0.565 3.544 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.131 -0.513 0.082 0.00 0.00 C+0 HETATM 22 C UNK 0 -7.440 -0.491 -0.663 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.494 0.662 0.143 0.00 0.00 O+0 HETATM 24 C UNK 0 -5.909 1.745 0.812 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.909 2.255 1.787 0.00 0.00 C+0 HETATM 26 C UNK 0 -4.194 3.504 1.370 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.110 4.537 0.770 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.545 5.062 -0.388 0.00 0.00 O+0 HETATM 29 C UNK 0 -4.386 6.449 -0.292 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.476 3.986 0.456 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.476 4.177 1.555 0.00 0.00 C+0 HETATM 32 O UNK 0 -6.378 2.742 -0.059 0.00 0.00 O+0 HETATM 33 O UNK 0 -1.610 -0.717 -1.094 0.00 0.00 O+0 HETATM 34 C UNK 0 -0.370 -1.234 -1.044 0.00 0.00 C+0 HETATM 35 O UNK 0 0.553 -0.465 -1.797 0.00 0.00 O+0 HETATM 36 C UNK 0 1.706 -0.329 -1.117 0.00 0.00 C+0 HETATM 37 C UNK 0 2.889 -1.073 -1.744 0.00 0.00 C+0 HETATM 38 C UNK 0 2.211 1.111 -0.966 0.00 0.00 C+0 HETATM 39 C UNK 0 2.761 1.686 -2.227 0.00 0.00 C+0 HETATM 40 C UNK 0 3.783 2.700 -1.679 0.00 0.00 C+0 HETATM 41 C UNK 0 3.979 2.227 -0.276 0.00 0.00 C+0 HETATM 42 C UNK 0 5.432 2.180 0.166 0.00 0.00 C+0 HETATM 43 C UNK 0 5.536 1.598 1.545 0.00 0.00 C+0 HETATM 44 C UNK 0 6.745 0.728 1.506 0.00 0.00 C+0 HETATM 45 C UNK 0 7.278 0.985 0.109 0.00 0.00 C+0 HETATM 46 C UNK 0 8.370 2.057 0.149 0.00 0.00 C+0 HETATM 47 O UNK 0 9.396 1.588 0.895 0.00 0.00 O+0 HETATM 48 C UNK 0 10.655 1.610 0.382 0.00 0.00 C+0 HETATM 49 C UNK 0 11.481 0.601 1.195 0.00 0.00 C+0 HETATM 50 O UNK 0 11.321 2.825 0.491 0.00 0.00 O+0 HETATM 51 C UNK 0 10.627 1.076 -1.030 0.00 0.00 C+0 HETATM 52 C UNK 0 12.002 0.807 -1.578 0.00 0.00 C+0 HETATM 53 C UNK 0 9.868 2.072 -1.873 0.00 0.00 C+0 HETATM 54 C UNK 0 8.640 2.591 -1.198 0.00 0.00 C+0 HETATM 55 C UNK 0 8.616 4.124 -1.199 0.00 0.00 C+0 HETATM 56 O UNK 0 6.181 1.363 -0.640 0.00 0.00 O+0 HETATM 57 O UNK 0 3.401 0.957 -0.202 0.00 0.00 O+0 HETATM 58 C UNK 0 1.556 -0.862 0.266 0.00 0.00 C+0 HETATM 59 O UNK 0 2.200 -2.063 0.432 0.00 0.00 O+0 HETATM 60 C UNK 0 3.072 -2.039 1.507 0.00 0.00 C+0 HETATM 61 C UNK 0 0.082 -1.004 0.409 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.574 0.287 0.874 0.00 0.00 C+0 HETATM 63 C UNK 0 -0.205 -2.689 -1.331 0.00 0.00 C+0 HETATM 64 C UNK 0 0.110 -2.964 -2.790 0.00 0.00 C+0 HETATM 65 H UNK 0 -0.709 -4.947 0.817 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.453 -5.299 0.508 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.933 -4.396 2.030 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.342 -4.506 -1.306 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.215 -2.912 -2.900 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.503 -3.389 -1.823 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.014 -0.859 -2.487 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.744 0.123 -0.432 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.513 -1.335 0.533 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.364 -0.812 -1.823 0.00 0.00 H+0 HETATM 75 H UNK 0 -7.419 -3.575 -1.747 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.687 -4.571 0.742 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.390 -5.846 -1.210 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.731 -4.860 -1.978 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.074 -6.419 -1.102 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.579 -5.930 1.236 0.00 0.00 H+0 HETATM 81 H UNK 0 -6.115 -3.284 1.986 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.732 -3.203 0.614 0.00 0.00 H+0 HETATM 83 H UNK 0 -8.304 -3.664 2.261 0.00 0.00 H+0 HETATM 84 H UNK 0 -8.557 -1.951 1.960 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.215 -1.299 1.862 0.00 0.00 H+0 HETATM 86 H UNK 0 -7.413 -0.161 4.174 0.00 0.00 H+0 HETATM 87 H UNK 0 -6.201 -1.497 4.024 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.809 0.218 3.499 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.263 -1.026 -0.209 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.281 -0.909 -1.672 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.675 0.593 -0.856 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.832 1.462 1.367 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.349 2.490 2.805 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.143 1.480 2.004 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.714 3.979 2.265 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.361 3.267 0.682 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.284 5.399 1.462 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.708 6.610 0.585 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.866 6.872 -1.156 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.338 6.942 -0.021 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.858 4.638 -0.391 0.00 0.00 H+0 HETATM 102 H UNK 0 -8.521 4.278 1.139 0.00 0.00 H+0 HETATM 103 H UNK 0 -7.502 3.423 2.332 0.00 0.00 H+0 HETATM 104 H UNK 0 -7.270 5.159 2.047 0.00 0.00 H+0 HETATM 105 H UNK 0 3.849 -0.568 -1.516 0.00 0.00 H+0 HETATM 106 H UNK 0 2.990 -2.103 -1.351 0.00 0.00 H+0 HETATM 107 H UNK 0 2.740 -1.035 -2.842 0.00 0.00 H+0 HETATM 108 H UNK 0 1.515 1.751 -0.429 0.00 0.00 H+0 HETATM 109 H UNK 0 3.317 0.922 -2.797 0.00 0.00 H+0 HETATM 110 H UNK 0 1.998 2.210 -2.841 0.00 0.00 H+0 HETATM 111 H UNK 0 4.688 2.710 -2.296 0.00 0.00 H+0 HETATM 112 H UNK 0 3.267 3.705 -1.702 0.00 0.00 H+0 HETATM 113 H UNK 0 3.443 2.876 0.440 0.00 0.00 H+0 HETATM 114 H UNK 0 5.813 3.230 0.179 0.00 0.00 H+0 HETATM 115 H UNK 0 4.655 0.973 1.807 0.00 0.00 H+0 HETATM 116 H UNK 0 5.673 2.436 2.272 0.00 0.00 H+0 HETATM 117 H UNK 0 7.534 1.024 2.226 0.00 0.00 H+0 HETATM 118 H UNK 0 6.516 -0.358 1.621 0.00 0.00 H+0 HETATM 119 H UNK 0 7.681 0.049 -0.295 0.00 0.00 H+0 HETATM 120 H UNK 0 7.893 2.894 0.749 0.00 0.00 H+0 HETATM 121 H UNK 0 12.566 0.716 0.991 0.00 0.00 H+0 HETATM 122 H UNK 0 11.217 -0.444 0.910 0.00 0.00 H+0 HETATM 123 H UNK 0 11.327 0.796 2.257 0.00 0.00 H+0 HETATM 124 H UNK 0 11.723 3.134 -0.362 0.00 0.00 H+0 HETATM 125 H UNK 0 10.093 0.106 -1.001 0.00 0.00 H+0 HETATM 126 H UNK 0 12.047 1.152 -2.651 0.00 0.00 H+0 HETATM 127 H UNK 0 12.780 1.390 -1.019 0.00 0.00 H+0 HETATM 128 H UNK 0 12.262 -0.263 -1.535 0.00 0.00 H+0 HETATM 129 H UNK 0 9.672 1.627 -2.866 0.00 0.00 H+0 HETATM 130 H UNK 0 10.549 2.935 -2.034 0.00 0.00 H+0 HETATM 131 H UNK 0 7.769 2.306 -1.861 0.00 0.00 H+0 HETATM 132 H UNK 0 9.236 4.534 -2.019 0.00 0.00 H+0 HETATM 133 H UNK 0 8.906 4.527 -0.206 0.00 0.00 H+0 HETATM 134 H UNK 0 7.578 4.501 -1.379 0.00 0.00 H+0 HETATM 135 H UNK 0 1.878 -0.117 1.036 0.00 0.00 H+0 HETATM 136 H UNK 0 2.536 -1.821 2.461 0.00 0.00 H+0 HETATM 137 H UNK 0 3.911 -1.323 1.389 0.00 0.00 H+0 HETATM 138 H UNK 0 3.510 -3.054 1.640 0.00 0.00 H+0 HETATM 139 H UNK 0 -0.243 -1.832 1.025 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.536 0.022 1.375 0.00 0.00 H+0 HETATM 141 H UNK 0 0.030 0.847 1.590 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.880 0.886 -0.015 0.00 0.00 H+0 HETATM 143 H UNK 0 0.591 -3.198 -0.751 0.00 0.00 H+0 HETATM 144 H UNK 0 -0.337 -2.264 -3.489 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.319 -3.980 -3.043 0.00 0.00 H+0 HETATM 146 H UNK 0 1.206 -3.108 -2.918 0.00 0.00 H+0 CONECT 1 2 65 66 67 CONECT 2 1 3 CONECT 3 2 4 63 68 CONECT 4 3 5 69 70 CONECT 5 4 6 33 71 CONECT 6 5 7 72 73 CONECT 7 6 8 21 74 CONECT 8 7 9 CONECT 9 8 10 11 16 CONECT 10 9 75 CONECT 11 9 12 13 76 CONECT 12 11 77 78 79 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 80 CONECT 16 9 17 18 81 CONECT 17 16 82 83 84 CONECT 18 16 19 21 85 CONECT 19 18 20 CONECT 20 19 86 87 88 CONECT 21 18 22 23 7 CONECT 22 21 89 90 91 CONECT 23 21 24 CONECT 24 23 25 32 92 CONECT 25 24 26 93 94 CONECT 26 25 27 95 96 CONECT 27 26 28 30 97 CONECT 28 27 29 CONECT 29 28 98 99 100 CONECT 30 27 31 32 101 CONECT 31 30 102 103 104 CONECT 32 30 24 CONECT 33 5 34 CONECT 34 33 35 63 61 CONECT 35 34 36 CONECT 36 35 37 38 58 CONECT 37 36 105 106 107 CONECT 38 36 39 57 108 CONECT 39 38 40 109 110 CONECT 40 39 41 111 112 CONECT 41 40 42 57 113 CONECT 42 41 43 56 114 CONECT 43 42 44 115 116 CONECT 44 43 45 117 118 CONECT 45 44 46 56 119 CONECT 46 45 47 54 120 CONECT 47 46 48 CONECT 48 47 49 50 51 CONECT 49 48 121 122 123 CONECT 50 48 124 CONECT 51 48 52 53 125 CONECT 52 51 126 127 128 CONECT 53 51 54 129 130 CONECT 54 53 55 46 131 CONECT 55 54 132 133 134 CONECT 56 45 42 CONECT 57 41 38 CONECT 58 36 59 61 135 CONECT 59 58 60 CONECT 60 59 136 137 138 CONECT 61 58 62 34 139 CONECT 62 61 140 141 142 CONECT 63 34 64 3 143 CONECT 64 63 144 145 146 CONECT 65 1 CONECT 66 1 CONECT 67 1 CONECT 68 3 CONECT 69 4 CONECT 70 4 CONECT 71 5 CONECT 72 6 CONECT 73 6 CONECT 74 7 CONECT 75 10 CONECT 76 11 CONECT 77 12 CONECT 78 12 CONECT 79 12 CONECT 80 15 CONECT 81 16 CONECT 82 17 CONECT 83 17 CONECT 84 17 CONECT 85 18 CONECT 86 20 CONECT 87 20 CONECT 88 20 CONECT 89 22 CONECT 90 22 CONECT 91 22 CONECT 92 24 CONECT 93 25 CONECT 94 25 CONECT 95 26 CONECT 96 26 CONECT 97 27 CONECT 98 29 CONECT 99 29 CONECT 100 29 CONECT 101 30 CONECT 102 31 CONECT 103 31 CONECT 104 31 CONECT 105 37 CONECT 106 37 CONECT 107 37 CONECT 108 38 CONECT 109 39 CONECT 110 39 CONECT 111 40 CONECT 112 40 CONECT 113 41 CONECT 114 42 CONECT 115 43 CONECT 116 43 CONECT 117 44 CONECT 118 44 CONECT 119 45 CONECT 120 46 CONECT 121 49 CONECT 122 49 CONECT 123 49 CONECT 124 50 CONECT 125 51 CONECT 126 52 CONECT 127 52 CONECT 128 52 CONECT 129 53 CONECT 130 53 CONECT 131 54 CONECT 132 55 CONECT 133 55 CONECT 134 55 CONECT 135 58 CONECT 136 60 CONECT 137 60 CONECT 138 60 CONECT 139 61 CONECT 140 62 CONECT 141 62 CONECT 142 62 CONECT 143 63 CONECT 144 64 CONECT 145 64 CONECT 146 64 MASTER 0 0 0 0 0 0 0 0 146 0 304 0 END