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 -7.486 -3.464 -2.451 0.00 0.00 C+0 HETATM 2 O UNK 0 -7.300 -3.635 -1.067 0.00 0.00 O+0 HETATM 3 C UNK 0 -8.010 -2.724 -0.344 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.120 -1.719 0.420 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.027 -0.574 0.740 0.00 0.00 C+0 HETATM 6 O UNK 0 -7.424 0.534 1.337 0.00 0.00 O+0 HETATM 7 C UNK 0 -7.518 1.658 0.596 0.00 0.00 C+0 HETATM 8 C UNK 0 -8.390 2.728 1.229 0.00 0.00 C+0 HETATM 9 C UNK 0 -8.360 3.872 0.538 0.00 0.00 C+0 HETATM 10 C UNK 0 -9.177 4.994 1.069 0.00 0.00 C+0 HETATM 11 C UNK 0 -7.580 4.088 -0.713 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.278 3.326 -0.759 0.00 0.00 C+0 HETATM 13 O UNK 0 -5.247 4.230 -0.566 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.110 2.658 -2.075 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.970 3.153 -2.796 0.00 0.00 O+0 HETATM 16 C UNK 0 -5.130 3.628 -4.088 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.990 4.132 -4.866 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.275 3.619 -4.579 0.00 0.00 O+0 HETATM 19 C UNK 0 -5.868 1.153 -2.004 0.00 0.00 C+0 HETATM 20 O UNK 0 -5.168 0.824 -3.196 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.932 0.777 -0.912 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.107 1.437 0.235 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.175 1.222 1.323 0.00 0.00 C+0 HETATM 24 O UNK 0 -4.284 1.828 2.433 0.00 0.00 O+0 HETATM 25 C UNK 0 -3.063 0.267 1.125 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.116 0.140 2.126 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.022 -0.683 1.909 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.835 -1.380 0.755 0.00 0.00 C+0 HETATM 29 C UNK 0 0.340 -2.324 0.577 0.00 0.00 C+0 HETATM 30 C UNK 0 1.556 -1.484 0.439 0.00 0.00 C+0 HETATM 31 C UNK 0 2.773 -1.846 1.205 0.00 0.00 C+0 HETATM 32 O UNK 0 3.658 -0.819 0.971 0.00 0.00 O+0 HETATM 33 C UNK 0 4.968 -1.168 0.682 0.00 0.00 C+0 HETATM 34 C UNK 0 5.232 -1.259 -0.787 0.00 0.00 C+0 HETATM 35 C UNK 0 6.211 -0.417 -1.459 0.00 0.00 C+0 HETATM 36 C UNK 0 5.570 0.371 -2.622 0.00 0.00 C+0 HETATM 37 O UNK 0 7.146 -1.265 -2.150 0.00 0.00 O+0 HETATM 38 C UNK 0 7.019 0.453 -0.572 0.00 0.00 C+0 HETATM 39 O UNK 0 8.125 -0.248 -0.095 0.00 0.00 O+0 HETATM 40 C UNK 0 9.344 0.275 -0.553 0.00 0.00 C+0 HETATM 41 C UNK 0 9.893 1.045 0.677 0.00 0.00 C+0 HETATM 42 C UNK 0 11.336 1.441 0.390 0.00 0.00 C+0 HETATM 43 C UNK 0 12.079 0.118 0.192 0.00 0.00 C+0 HETATM 44 N UNK 0 13.471 0.387 0.021 0.00 0.00 N+0 HETATM 45 C UNK 0 14.404 0.052 1.008 0.00 0.00 C+0 HETATM 46 N UNK 0 15.771 0.303 0.865 0.00 0.00 N+0 HETATM 47 O UNK 0 13.978 -0.502 2.077 0.00 0.00 O+0 HETATM 48 C UNK 0 11.475 -0.558 -1.016 0.00 0.00 C+0 HETATM 49 C UNK 0 12.177 -1.896 -1.242 0.00 0.00 C+0 HETATM 50 O UNK 0 10.148 -0.783 -0.842 0.00 0.00 O+0 HETATM 51 C UNK 0 6.207 0.808 0.664 0.00 0.00 C+0 HETATM 52 C UNK 0 5.053 1.644 0.178 0.00 0.00 C+0 HETATM 53 O UNK 0 5.772 -0.308 1.316 0.00 0.00 O+0 HETATM 54 C UNK 0 2.295 -1.986 2.644 0.00 0.00 C+0 HETATM 55 O UNK 0 3.364 -2.342 3.483 0.00 0.00 O+0 HETATM 56 C UNK 0 1.344 -3.149 2.598 0.00 0.00 C+0 HETATM 57 C UNK 0 0.733 -3.288 4.032 0.00 0.00 C+0 HETATM 58 O UNK 0 0.328 -3.043 1.761 0.00 0.00 O+0 HETATM 59 C UNK 0 -1.794 -1.258 -0.256 0.00 0.00 C+0 HETATM 60 O UNK 0 -1.570 -1.968 -1.371 0.00 0.00 O+0 HETATM 61 C UNK 0 -2.876 -0.431 -0.038 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.838 -0.176 -1.105 0.00 0.00 C+0 HETATM 63 O UNK 0 -3.726 -0.777 -2.188 0.00 0.00 O+0 HETATM 64 C UNK 0 -6.207 2.346 0.410 0.00 0.00 C+0 HETATM 65 O UNK 0 -6.002 3.118 1.559 0.00 0.00 O+0 HETATM 66 O UNK 0 -9.085 -0.981 1.539 0.00 0.00 O+0 HETATM 67 C UNK 0 -9.068 -2.340 1.829 0.00 0.00 C+0 HETATM 68 C UNK 0 -10.375 -2.635 2.567 0.00 0.00 C+0 HETATM 69 C UNK 0 -9.017 -3.242 0.623 0.00 0.00 C+0 HETATM 70 O UNK 0 -10.299 -3.364 0.067 0.00 0.00 O+0 HETATM 71 H UNK 0 -7.159 -2.441 -2.785 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.919 -4.224 -3.011 0.00 0.00 H+0 HETATM 73 H UNK 0 -8.571 -3.535 -2.743 0.00 0.00 H+0 HETATM 74 H UNK 0 -8.569 -2.062 -1.077 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.659 -2.207 1.294 0.00 0.00 H+0 HETATM 76 H UNK 0 -6.374 -1.419 -0.323 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.497 -0.269 -0.249 0.00 0.00 H+0 HETATM 78 H UNK 0 -8.060 1.396 -0.348 0.00 0.00 H+0 HETATM 79 H UNK 0 -8.967 2.597 2.113 0.00 0.00 H+0 HETATM 80 H UNK 0 -9.372 4.856 2.164 0.00 0.00 H+0 HETATM 81 H UNK 0 -10.181 4.971 0.586 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.749 5.999 0.859 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.440 5.181 -0.825 0.00 0.00 H+0 HETATM 84 H UNK 0 -8.246 3.767 -1.541 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.377 3.813 -0.329 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.977 2.770 -2.752 0.00 0.00 H+0 HETATM 87 H UNK 0 -3.020 3.694 -4.502 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.923 5.224 -4.930 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.116 3.741 -5.920 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.788 0.583 -2.058 0.00 0.00 H+0 HETATM 91 H UNK 0 -5.662 1.033 -4.007 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.252 0.675 3.041 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.316 -0.752 2.755 0.00 0.00 H+0 HETATM 94 H UNK 0 0.142 -2.928 -0.297 0.00 0.00 H+0 HETATM 95 H UNK 0 1.360 -0.397 0.665 0.00 0.00 H+0 HETATM 96 H UNK 0 1.865 -1.565 -0.660 0.00 0.00 H+0 HETATM 97 H UNK 0 3.155 -2.835 0.928 0.00 0.00 H+0 HETATM 98 H UNK 0 5.122 -2.238 1.081 0.00 0.00 H+0 HETATM 99 H UNK 0 4.273 -1.215 -1.385 0.00 0.00 H+0 HETATM 100 H UNK 0 5.545 -2.350 -0.986 0.00 0.00 H+0 HETATM 101 H UNK 0 4.568 0.724 -2.378 0.00 0.00 H+0 HETATM 102 H UNK 0 6.253 1.154 -2.901 0.00 0.00 H+0 HETATM 103 H UNK 0 5.424 -0.386 -3.437 0.00 0.00 H+0 HETATM 104 H UNK 0 7.658 -1.770 -1.482 0.00 0.00 H+0 HETATM 105 H UNK 0 7.334 1.349 -1.162 0.00 0.00 H+0 HETATM 106 H UNK 0 9.211 1.065 -1.296 0.00 0.00 H+0 HETATM 107 H UNK 0 9.833 0.355 1.526 0.00 0.00 H+0 HETATM 108 H UNK 0 9.248 1.914 0.837 0.00 0.00 H+0 HETATM 109 H UNK 0 11.375 2.043 -0.529 0.00 0.00 H+0 HETATM 110 H UNK 0 11.734 1.923 1.285 0.00 0.00 H+0 HETATM 111 H UNK 0 11.868 -0.503 1.103 0.00 0.00 H+0 HETATM 112 H UNK 0 13.791 0.833 -0.879 0.00 0.00 H+0 HETATM 113 H UNK 0 16.407 -0.547 0.835 0.00 0.00 H+0 HETATM 114 H UNK 0 16.202 1.231 0.786 0.00 0.00 H+0 HETATM 115 H UNK 0 11.603 0.039 -1.940 0.00 0.00 H+0 HETATM 116 H UNK 0 11.562 -2.630 -1.754 0.00 0.00 H+0 HETATM 117 H UNK 0 12.496 -2.308 -0.237 0.00 0.00 H+0 HETATM 118 H UNK 0 13.100 -1.691 -1.828 0.00 0.00 H+0 HETATM 119 H UNK 0 6.812 1.433 1.370 0.00 0.00 H+0 HETATM 120 H UNK 0 4.836 2.448 0.924 0.00 0.00 H+0 HETATM 121 H UNK 0 5.365 2.237 -0.749 0.00 0.00 H+0 HETATM 122 H UNK 0 4.135 1.106 -0.040 0.00 0.00 H+0 HETATM 123 H UNK 0 1.810 -1.099 3.039 0.00 0.00 H+0 HETATM 124 H UNK 0 3.829 -1.494 3.779 0.00 0.00 H+0 HETATM 125 H UNK 0 1.923 -4.123 2.521 0.00 0.00 H+0 HETATM 126 H UNK 0 0.412 -2.306 4.382 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.154 -3.930 3.886 0.00 0.00 H+0 HETATM 128 H UNK 0 1.446 -3.818 4.698 0.00 0.00 H+0 HETATM 129 H UNK 0 -2.042 -2.071 -2.190 0.00 0.00 H+0 HETATM 130 H UNK 0 -5.400 3.885 1.424 0.00 0.00 H+0 HETATM 131 H UNK 0 -8.249 -2.588 2.545 0.00 0.00 H+0 HETATM 132 H UNK 0 -10.844 -1.717 2.973 0.00 0.00 H+0 HETATM 133 H UNK 0 -11.104 -3.179 1.949 0.00 0.00 H+0 HETATM 134 H UNK 0 -10.178 -3.305 3.454 0.00 0.00 H+0 HETATM 135 H UNK 0 -8.725 -4.251 1.002 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.755 -2.480 0.070 0.00 0.00 H+0 CONECT 1 2 71 72 73 CONECT 2 1 3 CONECT 3 2 4 69 74 CONECT 4 3 5 75 76 CONECT 5 4 6 66 77 CONECT 6 5 7 CONECT 7 6 8 64 78 CONECT 8 7 9 79 CONECT 9 8 10 11 CONECT 10 9 80 81 82 CONECT 11 9 12 83 84 CONECT 12 11 13 14 64 CONECT 13 12 85 CONECT 14 12 15 19 86 CONECT 15 14 16 CONECT 16 15 17 18 CONECT 17 16 87 88 89 CONECT 18 16 CONECT 19 14 20 21 90 CONECT 20 19 91 CONECT 21 19 22 62 CONECT 22 21 23 64 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 61 CONECT 26 25 27 92 CONECT 27 26 28 93 CONECT 28 27 29 59 CONECT 29 28 30 58 94 CONECT 30 29 31 95 96 CONECT 31 30 32 54 97 CONECT 32 31 33 CONECT 33 32 34 53 98 CONECT 34 33 35 99 100 CONECT 35 34 36 37 38 CONECT 36 35 101 102 103 CONECT 37 35 104 CONECT 38 35 39 51 105 CONECT 39 38 40 CONECT 40 39 41 50 106 CONECT 41 40 42 107 108 CONECT 42 41 43 109 110 CONECT 43 42 44 48 111 CONECT 44 43 45 112 CONECT 45 44 46 47 CONECT 46 45 113 114 CONECT 47 45 CONECT 48 43 49 50 115 CONECT 49 48 116 117 118 CONECT 50 48 40 CONECT 51 38 52 53 119 CONECT 52 51 120 121 122 CONECT 53 51 33 CONECT 54 31 55 56 123 CONECT 55 54 124 CONECT 56 54 57 58 125 CONECT 57 56 126 127 128 CONECT 58 56 29 CONECT 59 28 60 61 CONECT 60 59 129 CONECT 61 59 62 25 CONECT 62 61 63 21 CONECT 63 62 CONECT 64 22 65 7 12 CONECT 65 64 130 CONECT 66 5 67 CONECT 67 66 68 69 131 CONECT 68 67 132 133 134 CONECT 69 67 70 3 135 CONECT 70 69 136 CONECT 71 1 CONECT 72 1 CONECT 73 1 CONECT 74 3 CONECT 75 4 CONECT 76 4 CONECT 77 5 CONECT 78 7 CONECT 79 8 CONECT 80 10 CONECT 81 10 CONECT 82 10 CONECT 83 11 CONECT 84 11 CONECT 85 13 CONECT 86 14 CONECT 87 17 CONECT 88 17 CONECT 89 17 CONECT 90 19 CONECT 91 20 CONECT 92 26 CONECT 93 27 CONECT 94 29 CONECT 95 30 CONECT 96 30 CONECT 97 31 CONECT 98 33 CONECT 99 34 CONECT 100 34 CONECT 101 36 CONECT 102 36 CONECT 103 36 CONECT 104 37 CONECT 105 38 CONECT 106 40 CONECT 107 41 CONECT 108 41 CONECT 109 42 CONECT 110 42 CONECT 111 43 CONECT 112 44 CONECT 113 46 CONECT 114 46 CONECT 115 48 CONECT 116 49 CONECT 117 49 CONECT 118 49 CONECT 119 51 CONECT 120 52 CONECT 121 52 CONECT 122 52 CONECT 123 54 CONECT 124 55 CONECT 125 56 CONECT 126 57 CONECT 127 57 CONECT 128 57 CONECT 129 60 CONECT 130 65 CONECT 131 67 CONECT 132 68 CONECT 133 68 CONECT 134 68 CONECT 135 69 CONECT 136 70 MASTER 0 0 0 0 0 0 0 0 136 0 286 0 END