HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -0.972 3.273 -4.822 0.00 0.00 C+0 HETATM 2 S UNK 0 0.336 2.570 -3.857 0.00 0.00 S+0 HETATM 3 C UNK 0 -0.022 1.975 -2.238 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.297 2.864 -1.122 0.00 0.00 C+0 HETATM 5 C UNK 0 0.705 3.518 -0.315 0.00 0.00 C+0 HETATM 6 O UNK 0 0.171 4.629 0.179 0.00 0.00 O+0 HETATM 7 N UNK 0 2.009 3.383 0.115 0.00 0.00 N+0 HETATM 8 C UNK 0 2.199 3.588 1.594 0.00 0.00 C+0 HETATM 9 C UNK 0 3.251 3.102 -0.543 0.00 0.00 C+0 HETATM 10 C UNK 0 4.044 4.269 -0.982 0.00 0.00 C+0 HETATM 11 C UNK 0 5.315 3.704 -1.655 0.00 0.00 C+0 HETATM 12 C UNK 0 3.544 5.324 -1.839 0.00 0.00 C+0 HETATM 13 C UNK 0 3.074 4.924 -3.204 0.00 0.00 C+0 HETATM 14 C UNK 0 2.632 6.270 -1.107 0.00 0.00 C+0 HETATM 15 C UNK 0 4.172 2.418 0.475 0.00 0.00 C+0 HETATM 16 O UNK 0 5.206 3.078 0.885 0.00 0.00 O+0 HETATM 17 O UNK 0 4.015 1.205 0.987 0.00 0.00 O+0 HETATM 18 C UNK 0 3.934 -0.096 0.555 0.00 0.00 C+0 HETATM 19 C UNK 0 5.123 -0.537 -0.246 0.00 0.00 C+0 HETATM 20 N UNK 0 6.104 -1.248 0.550 0.00 0.00 N+0 HETATM 21 C UNK 0 7.340 -0.655 0.891 0.00 0.00 C+0 HETATM 22 O UNK 0 7.621 0.543 0.518 0.00 0.00 O+0 HETATM 23 C UNK 0 8.367 -1.334 1.666 0.00 0.00 C+0 HETATM 24 C UNK 0 9.529 -0.696 2.056 0.00 0.00 C+0 HETATM 25 N UNK 0 10.506 -1.304 2.736 0.00 0.00 N+0 HETATM 26 C UNK 0 10.401 -2.597 3.082 0.00 0.00 C+0 HETATM 27 C UNK 0 11.415 -3.239 3.784 0.00 0.00 C+0 HETATM 28 C UNK 0 11.307 -4.569 4.134 0.00 0.00 C+0 HETATM 29 C UNK 0 10.156 -5.219 3.755 0.00 0.00 C+0 HETATM 30 C UNK 0 9.143 -4.597 3.059 0.00 0.00 C+0 HETATM 31 C UNK 0 9.255 -3.272 2.713 0.00 0.00 C+0 HETATM 32 N UNK 0 8.275 -2.629 2.020 0.00 0.00 N+0 HETATM 33 C UNK 0 4.822 -1.309 -1.462 0.00 0.00 C+0 HETATM 34 O UNK 0 5.082 -0.635 -2.543 0.00 0.00 O+0 HETATM 35 N UNK 0 4.332 -2.578 -1.675 0.00 0.00 N+0 HETATM 36 C UNK 0 3.044 -3.203 -1.387 0.00 0.00 C+0 HETATM 37 C UNK 0 2.730 -3.172 0.048 0.00 0.00 C+0 HETATM 38 C UNK 0 2.032 -2.893 -2.385 0.00 0.00 C+0 HETATM 39 O UNK 0 2.427 -3.317 -3.562 0.00 0.00 O+0 HETATM 40 N UNK 0 0.796 -2.279 -2.386 0.00 0.00 N+0 HETATM 41 C UNK 0 0.261 -1.826 -3.689 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.102 -2.001 -1.286 0.00 0.00 C+0 HETATM 43 C UNK 0 0.030 -0.594 -0.755 0.00 0.00 C+0 HETATM 44 S UNK 0 0.905 0.554 -1.724 0.00 0.00 S+0 HETATM 45 O UNK 0 2.065 0.165 -2.510 0.00 0.00 O+0 HETATM 46 C UNK 0 -1.525 -2.211 -1.655 0.00 0.00 C+0 HETATM 47 O UNK 0 -2.019 -1.603 -2.675 0.00 0.00 O+0 HETATM 48 N UNK 0 -2.460 -3.046 -0.981 0.00 0.00 N+0 HETATM 49 C UNK 0 -3.454 -3.680 -1.850 0.00 0.00 C+0 HETATM 50 C UNK 0 -2.542 -3.291 0.428 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.891 -4.523 0.892 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.985 -4.737 2.396 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.417 -5.815 0.278 0.00 0.00 C+0 HETATM 54 C UNK 0 -1.635 -7.003 0.849 0.00 0.00 C+0 HETATM 55 C UNK 0 -3.852 -6.093 0.562 0.00 0.00 C+0 HETATM 56 C UNK 0 -2.188 -2.083 1.231 0.00 0.00 C+0 HETATM 57 O UNK 0 -1.150 -1.998 1.939 0.00 0.00 O+0 HETATM 58 O UNK 0 -3.004 -0.966 1.236 0.00 0.00 O+0 HETATM 59 C UNK 0 -4.032 -0.685 0.312 0.00 0.00 C+0 HETATM 60 C UNK 0 -4.543 0.717 0.638 0.00 0.00 C+0 HETATM 61 N UNK 0 -5.775 0.580 1.368 0.00 0.00 N+0 HETATM 62 C UNK 0 -6.984 1.074 0.820 0.00 0.00 C+0 HETATM 63 O UNK 0 -6.974 1.647 -0.327 0.00 0.00 O+0 HETATM 64 C UNK 0 -8.271 0.977 1.475 0.00 0.00 C+0 HETATM 65 C UNK 0 -8.383 0.388 2.717 0.00 0.00 C+0 HETATM 66 N UNK 0 -9.602 0.295 3.311 0.00 0.00 N+0 HETATM 67 C UNK 0 -10.725 0.760 2.734 0.00 0.00 C+0 HETATM 68 C UNK 0 -11.971 0.662 3.338 0.00 0.00 C+0 HETATM 69 C UNK 0 -13.124 1.136 2.742 0.00 0.00 C+0 HETATM 70 C UNK 0 -13.006 1.724 1.499 0.00 0.00 C+0 HETATM 71 C UNK 0 -11.754 1.822 0.893 0.00 0.00 C+0 HETATM 72 C UNK 0 -10.618 1.351 1.489 0.00 0.00 C+0 HETATM 73 N UNK 0 -9.398 1.435 0.913 0.00 0.00 N+0 HETATM 74 C UNK 0 -3.552 1.457 1.439 0.00 0.00 C+0 HETATM 75 O UNK 0 -3.244 0.962 2.569 0.00 0.00 O+0 HETATM 76 N UNK 0 -2.926 2.681 1.026 0.00 0.00 N+0 HETATM 77 C UNK 0 -3.443 3.566 0.049 0.00 0.00 C+0 HETATM 78 C UNK 0 -3.673 4.955 0.706 0.00 0.00 C+0 HETATM 79 C UNK 0 -2.724 3.719 -1.214 0.00 0.00 C+0 HETATM 80 O UNK 0 -3.490 3.792 -2.260 0.00 0.00 O+0 HETATM 81 N UNK 0 -1.355 3.807 -1.488 0.00 0.00 N+0 HETATM 82 C UNK 0 -0.852 4.986 -2.226 0.00 0.00 C+0 HETATM 83 H UNK 0 -0.799 4.353 -5.032 0.00 0.00 H+0 HETATM 84 H UNK 0 -1.984 3.166 -4.414 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.029 2.802 -5.859 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.079 1.491 -2.411 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.855 2.184 -0.363 0.00 0.00 H+0 HETATM 88 H UNK 0 3.221 3.827 1.849 0.00 0.00 H+0 HETATM 89 H UNK 0 1.580 4.464 1.927 0.00 0.00 H+0 HETATM 90 H UNK 0 1.931 2.643 2.099 0.00 0.00 H+0 HETATM 91 H UNK 0 3.228 2.370 -1.345 0.00 0.00 H+0 HETATM 92 H UNK 0 4.461 4.748 -0.042 0.00 0.00 H+0 HETATM 93 H UNK 0 5.057 3.660 -2.757 0.00 0.00 H+0 HETATM 94 H UNK 0 6.154 4.396 -1.577 0.00 0.00 H+0 HETATM 95 H UNK 0 5.509 2.665 -1.371 0.00 0.00 H+0 HETATM 96 H UNK 0 4.460 5.985 -2.062 0.00 0.00 H+0 HETATM 97 H UNK 0 2.942 3.840 -3.321 0.00 0.00 H+0 HETATM 98 H UNK 0 3.825 5.180 -4.021 0.00 0.00 H+0 HETATM 99 H UNK 0 2.202 5.548 -3.481 0.00 0.00 H+0 HETATM 100 H UNK 0 2.551 5.966 -0.020 0.00 0.00 H+0 HETATM 101 H UNK 0 2.976 7.322 -1.078 0.00 0.00 H+0 HETATM 102 H UNK 0 1.600 6.287 -1.494 0.00 0.00 H+0 HETATM 103 H UNK 0 3.944 -0.738 1.489 0.00 0.00 H+0 HETATM 104 H UNK 0 3.048 -0.322 -0.046 0.00 0.00 H+0 HETATM 105 H UNK 0 5.613 0.438 -0.568 0.00 0.00 H+0 HETATM 106 H UNK 0 5.898 -2.203 0.877 0.00 0.00 H+0 HETATM 107 H UNK 0 9.620 0.365 1.772 0.00 0.00 H+0 HETATM 108 H UNK 0 12.304 -2.674 4.059 0.00 0.00 H+0 HETATM 109 H UNK 0 12.101 -5.086 4.686 0.00 0.00 H+0 HETATM 110 H UNK 0 10.070 -6.284 4.031 0.00 0.00 H+0 HETATM 111 H UNK 0 8.278 -5.158 2.797 0.00 0.00 H+0 HETATM 112 H UNK 0 5.019 -3.263 -2.170 0.00 0.00 H+0 HETATM 113 H UNK 0 3.192 -4.346 -1.563 0.00 0.00 H+0 HETATM 114 H UNK 0 2.160 -2.350 0.457 0.00 0.00 H+0 HETATM 115 H UNK 0 2.361 -4.173 0.459 0.00 0.00 H+0 HETATM 116 H UNK 0 3.726 -3.103 0.593 0.00 0.00 H+0 HETATM 117 H UNK 0 1.067 -1.839 -4.475 0.00 0.00 H+0 HETATM 118 H UNK 0 -0.438 -2.640 -4.031 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.143 -0.831 -3.693 0.00 0.00 H+0 HETATM 120 H UNK 0 0.101 -2.703 -0.474 0.00 0.00 H+0 HETATM 121 H UNK 0 -0.992 -0.158 -0.536 0.00 0.00 H+0 HETATM 122 H UNK 0 0.513 -0.618 0.271 0.00 0.00 H+0 HETATM 123 H UNK 0 -3.057 -4.476 -2.477 0.00 0.00 H+0 HETATM 124 H UNK 0 -4.330 -3.930 -1.227 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.859 -2.921 -2.581 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.655 -3.415 0.637 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.804 -4.531 0.675 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.285 -4.072 2.940 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.020 -4.716 2.776 0.00 0.00 H+0 HETATM 130 H UNK 0 -1.594 -5.759 2.585 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.245 -5.862 -0.814 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.596 -6.710 1.094 0.00 0.00 H+0 HETATM 133 H UNK 0 -2.202 -7.457 1.670 0.00 0.00 H+0 HETATM 134 H UNK 0 -1.554 -7.779 0.063 0.00 0.00 H+0 HETATM 135 H UNK 0 -4.487 -5.228 0.770 0.00 0.00 H+0 HETATM 136 H UNK 0 -4.299 -6.577 -0.358 0.00 0.00 H+0 HETATM 137 H UNK 0 -3.989 -6.904 1.341 0.00 0.00 H+0 HETATM 138 H UNK 0 -3.692 -0.634 -0.739 0.00 0.00 H+0 HETATM 139 H UNK 0 -4.872 -1.400 0.439 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.755 1.239 -0.326 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.794 0.124 2.292 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.557 -0.022 3.271 0.00 0.00 H+0 HETATM 143 H UNK 0 -12.043 0.199 4.309 0.00 0.00 H+0 HETATM 144 H UNK 0 -14.059 1.024 3.270 0.00 0.00 H+0 HETATM 145 H UNK 0 -13.887 2.111 0.998 0.00 0.00 H+0 HETATM 146 H UNK 0 -11.674 2.289 -0.085 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.033 2.909 1.512 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.492 3.223 -0.152 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.718 5.671 -0.138 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.569 4.947 1.327 0.00 0.00 H+0 HETATM 151 H UNK 0 -2.722 5.173 1.253 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.757 5.876 -1.544 0.00 0.00 H+0 HETATM 153 H UNK 0 0.112 4.813 -2.693 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.651 5.269 -2.934 0.00 0.00 H+0 CONECT 1 2 83 84 85 CONECT 2 1 3 CONECT 3 2 4 44 86 CONECT 4 3 5 81 87 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 88 89 90 CONECT 9 7 10 15 91 CONECT 10 9 11 12 92 CONECT 11 10 93 94 95 CONECT 12 10 13 14 96 CONECT 13 12 97 98 99 CONECT 14 12 100 101 102 CONECT 15 9 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 103 104 CONECT 19 18 20 33 105 CONECT 20 19 21 106 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 32 CONECT 24 23 25 107 CONECT 25 24 26 CONECT 26 25 27 31 CONECT 27 26 28 108 CONECT 28 27 29 109 CONECT 29 28 30 110 CONECT 30 29 31 111 CONECT 31 30 32 26 CONECT 32 31 23 CONECT 33 19 34 35 CONECT 34 33 CONECT 35 33 36 112 CONECT 36 35 37 38 113 CONECT 37 36 114 115 116 CONECT 38 36 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 117 118 119 CONECT 42 40 43 46 120 CONECT 43 42 44 121 122 CONECT 44 43 45 3 CONECT 45 44 CONECT 46 42 47 48 CONECT 47 46 CONECT 48 46 49 50 CONECT 49 48 123 124 125 CONECT 50 48 51 56 126 CONECT 51 50 52 53 127 CONECT 52 51 128 129 130 CONECT 53 51 54 55 131 CONECT 54 53 132 133 134 CONECT 55 53 135 136 137 CONECT 56 50 57 58 CONECT 57 56 CONECT 58 56 59 CONECT 59 58 60 138 139 CONECT 60 59 61 74 140 CONECT 61 60 62 141 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 73 CONECT 65 64 66 142 CONECT 66 65 67 CONECT 67 66 68 72 CONECT 68 67 69 143 CONECT 69 68 70 144 CONECT 70 69 71 145 CONECT 71 70 72 146 CONECT 72 71 73 67 CONECT 73 72 64 CONECT 74 60 75 76 CONECT 75 74 CONECT 76 74 77 147 CONECT 77 76 78 79 148 CONECT 78 77 149 150 151 CONECT 79 77 80 81 CONECT 80 79 CONECT 81 79 82 4 CONECT 82 81 152 153 154 CONECT 83 1 CONECT 84 1 CONECT 85 1 CONECT 86 3 CONECT 87 4 CONECT 88 8 CONECT 89 8 CONECT 90 8 CONECT 91 9 CONECT 92 10 CONECT 93 11 CONECT 94 11 CONECT 95 11 CONECT 96 12 CONECT 97 13 CONECT 98 13 CONECT 99 13 CONECT 100 14 CONECT 101 14 CONECT 102 14 CONECT 103 18 CONECT 104 18 CONECT 105 19 CONECT 106 20 CONECT 107 24 CONECT 108 27 CONECT 109 28 CONECT 110 29 CONECT 111 30 CONECT 112 35 CONECT 113 36 CONECT 114 37 CONECT 115 37 CONECT 116 37 CONECT 117 41 CONECT 118 41 CONECT 119 41 CONECT 120 42 CONECT 121 43 CONECT 122 43 CONECT 123 49 CONECT 124 49 CONECT 125 49 CONECT 126 50 CONECT 127 51 CONECT 128 52 CONECT 129 52 CONECT 130 52 CONECT 131 53 CONECT 132 54 CONECT 133 54 CONECT 134 54 CONECT 135 55 CONECT 136 55 CONECT 137 55 CONECT 138 59 CONECT 139 59 CONECT 140 60 CONECT 141 61 CONECT 142 65 CONECT 143 68 CONECT 144 69 CONECT 145 70 CONECT 146 71 CONECT 147 76 CONECT 148 77 CONECT 149 78 CONECT 150 78 CONECT 151 78 CONECT 152 82 CONECT 153 82 CONECT 154 82 MASTER 0 0 0 0 0 0 0 0 154 0 318 0 END