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 -5.202 5.945 -1.605 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.191 5.260 -0.728 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.251 3.921 -0.614 0.00 0.00 C+0 HETATM 4 N UNK 0 -5.337 3.162 -1.354 0.00 0.00 N+0 HETATM 5 C UNK 0 -4.558 2.064 -0.921 0.00 0.00 C+0 HETATM 6 O UNK 0 -4.704 0.981 -1.592 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.605 2.024 0.204 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.929 3.400 0.352 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.047 3.416 1.562 0.00 0.00 C+0 HETATM 10 O UNK 0 -2.280 3.782 -0.795 0.00 0.00 O+0 HETATM 11 N UNK 0 -4.227 1.782 1.485 0.00 0.00 N+0 HETATM 12 C UNK 0 -3.902 0.768 2.405 0.00 0.00 C+0 HETATM 13 O UNK 0 -4.888 0.289 3.071 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.542 0.225 2.656 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.022 -0.125 3.892 0.00 0.00 C+0 HETATM 16 S UNK 0 -0.462 -0.668 3.457 0.00 0.00 S+0 HETATM 17 C UNK 0 -0.563 -0.418 1.746 0.00 0.00 C+0 HETATM 18 N UNK 0 -1.778 0.060 1.627 0.00 0.00 N+0 HETATM 19 C UNK 0 0.416 -0.620 0.675 0.00 0.00 C+0 HETATM 20 C UNK 0 1.733 -0.294 1.043 0.00 0.00 C+0 HETATM 21 C UNK 0 2.756 -0.373 0.116 0.00 0.00 C+0 HETATM 22 C UNK 0 2.484 -0.766 -1.150 0.00 0.00 C+0 HETATM 23 C UNK 0 3.565 -0.847 -2.133 0.00 0.00 C+0 HETATM 24 N UNK 0 4.846 -0.595 -2.012 0.00 0.00 N+0 HETATM 25 C UNK 0 5.640 -0.729 -3.020 0.00 0.00 C+0 HETATM 26 C UNK 0 7.107 -0.463 -2.924 0.00 0.00 C+0 HETATM 27 N UNK 0 7.804 -0.076 -1.878 0.00 0.00 N+0 HETATM 28 C UNK 0 9.087 0.106 -1.980 0.00 0.00 C+0 HETATM 29 C UNK 0 9.891 0.546 -0.777 0.00 0.00 C+0 HETATM 30 O UNK 0 9.276 0.713 0.293 0.00 0.00 O+0 HETATM 31 N UNK 0 11.238 0.731 -0.942 0.00 0.00 N+0 HETATM 32 C UNK 0 12.163 1.147 0.096 0.00 0.00 C+0 HETATM 33 C UNK 0 11.691 1.368 1.302 0.00 0.00 C+0 HETATM 34 C UNK 0 12.581 1.796 2.416 0.00 0.00 C+0 HETATM 35 C UNK 0 13.542 1.282 -0.314 0.00 0.00 C+0 HETATM 36 O UNK 0 13.730 1.001 -1.575 0.00 0.00 O+0 HETATM 37 N UNK 0 14.664 1.645 0.372 0.00 0.00 N+0 HETATM 38 C UNK 0 15.975 1.692 -0.357 0.00 0.00 C+0 HETATM 39 C UNK 0 17.064 2.101 0.536 0.00 0.00 C+0 HETATM 40 C UNK 0 18.449 2.230 0.056 0.00 0.00 C+0 HETATM 41 O UNK 0 16.808 2.338 1.706 0.00 0.00 O+0 HETATM 42 C UNK 0 9.660 -0.120 -3.199 0.00 0.00 C+0 HETATM 43 S UNK 0 8.287 -0.590 -4.140 0.00 0.00 S+0 HETATM 44 C UNK 0 5.095 -1.143 -4.213 0.00 0.00 C+0 HETATM 45 S UNK 0 3.452 -1.313 -3.797 0.00 0.00 S+0 HETATM 46 N UNK 0 1.249 -1.069 -1.477 0.00 0.00 N+0 HETATM 47 C UNK 0 0.169 -1.016 -0.606 0.00 0.00 C+0 HETATM 48 C UNK 0 -1.132 -1.437 -1.194 0.00 0.00 C+0 HETATM 49 C UNK 0 -1.732 -0.779 -2.276 0.00 0.00 C+0 HETATM 50 S UNK 0 -3.097 -1.753 -2.555 0.00 0.00 S+0 HETATM 51 C UNK 0 -2.842 -2.933 -1.303 0.00 0.00 C+0 HETATM 52 N UNK 0 -1.746 -2.499 -0.767 0.00 0.00 N+0 HETATM 53 C UNK 0 -3.519 -4.171 -0.883 0.00 0.00 C+0 HETATM 54 C UNK 0 -3.926 -4.288 0.542 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.271 -5.783 0.823 0.00 0.00 C+0 HETATM 56 O UNK 0 -2.917 -3.926 1.404 0.00 0.00 O+0 HETATM 57 C UNK 0 -3.420 -3.049 2.393 0.00 0.00 C+0 HETATM 58 N UNK 0 -4.572 -4.574 -1.784 0.00 0.00 N+0 HETATM 59 C UNK 0 -5.311 -3.873 -2.712 0.00 0.00 C+0 HETATM 60 O UNK 0 -5.262 -4.310 -3.926 0.00 0.00 O+0 HETATM 61 C UNK 0 -6.165 -2.667 -2.487 0.00 0.00 C+0 HETATM 62 C UNK 0 -6.420 -1.699 -3.449 0.00 0.00 C+0 HETATM 63 S UNK 0 -7.449 -0.619 -2.620 0.00 0.00 S+0 HETATM 64 C UNK 0 -7.506 -1.430 -1.122 0.00 0.00 C+0 HETATM 65 N UNK 0 -6.747 -2.472 -1.323 0.00 0.00 N+0 HETATM 66 C UNK 0 -8.194 -1.182 0.205 0.00 0.00 C+0 HETATM 67 C UNK 0 -8.727 -2.514 0.762 0.00 0.00 C+0 HETATM 68 C UNK 0 -7.643 -3.334 1.357 0.00 0.00 C+0 HETATM 69 C UNK 0 -9.663 -2.124 1.910 0.00 0.00 C+0 HETATM 70 O UNK 0 -9.489 -3.129 -0.205 0.00 0.00 O+0 HETATM 71 N UNK 0 -9.345 -0.365 -0.129 0.00 0.00 N+0 HETATM 72 C UNK 0 -9.790 0.782 0.552 0.00 0.00 C+0 HETATM 73 O UNK 0 -11.030 0.826 0.925 0.00 0.00 O+0 HETATM 74 C UNK 0 -8.960 1.968 0.889 0.00 0.00 C+0 HETATM 75 C UNK 0 -9.096 2.726 2.043 0.00 0.00 C+0 HETATM 76 S UNK 0 -7.895 3.923 1.802 0.00 0.00 S+0 HETATM 77 C UNK 0 -7.304 3.393 0.273 0.00 0.00 C+0 HETATM 78 N UNK 0 -8.052 2.348 0.048 0.00 0.00 N+0 HETATM 79 H UNK 0 -4.746 6.783 -1.002 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.648 6.411 -2.496 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.383 5.241 -1.803 0.00 0.00 H+0 HETATM 82 H UNK 0 -6.870 5.886 -0.170 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.248 3.488 -2.383 0.00 0.00 H+0 HETATM 84 H UNK 0 -2.840 1.262 -0.062 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.790 4.096 0.574 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.635 3.115 2.464 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.690 4.442 1.784 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.158 2.781 1.402 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.362 3.370 -0.783 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.014 2.488 1.694 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.505 -0.063 4.882 0.00 0.00 H+0 HETATM 92 H UNK 0 2.004 0.018 2.029 0.00 0.00 H+0 HETATM 93 H UNK 0 3.787 -0.127 0.369 0.00 0.00 H+0 HETATM 94 H UNK 0 11.668 0.560 -1.916 0.00 0.00 H+0 HETATM 95 H UNK 0 10.642 1.262 1.591 0.00 0.00 H+0 HETATM 96 H UNK 0 11.896 1.871 3.342 0.00 0.00 H+0 HETATM 97 H UNK 0 13.012 2.780 2.275 0.00 0.00 H+0 HETATM 98 H UNK 0 13.273 0.969 2.632 0.00 0.00 H+0 HETATM 99 H UNK 0 14.768 1.903 1.350 0.00 0.00 H+0 HETATM 100 H UNK 0 16.174 0.720 -0.827 0.00 0.00 H+0 HETATM 101 H UNK 0 15.827 2.439 -1.161 0.00 0.00 H+0 HETATM 102 H UNK 0 18.742 1.354 -0.567 0.00 0.00 H+0 HETATM 103 H UNK 0 18.589 3.120 -0.597 0.00 0.00 H+0 HETATM 104 H UNK 0 19.147 2.229 0.918 0.00 0.00 H+0 HETATM 105 H UNK 0 10.710 -0.034 -3.523 0.00 0.00 H+0 HETATM 106 H UNK 0 5.620 -1.309 -5.171 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.396 0.119 -2.813 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.689 -4.967 -0.999 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.887 -3.780 0.753 0.00 0.00 H+0 HETATM 110 H UNK 0 -5.318 -5.982 0.564 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.016 -6.034 1.863 0.00 0.00 H+0 HETATM 112 H UNK 0 -3.635 -6.405 0.164 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.627 -2.752 3.087 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.816 -2.183 1.872 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.211 -3.571 2.981 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.792 -5.634 -1.694 0.00 0.00 H+0 HETATM 117 H UNK 0 -6.044 -1.651 -4.492 0.00 0.00 H+0 HETATM 118 H UNK 0 -7.533 -0.683 0.921 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.996 -3.904 2.266 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.800 -2.705 1.726 0.00 0.00 H+0 HETATM 121 H UNK 0 -7.284 -4.152 0.667 0.00 0.00 H+0 HETATM 122 H UNK 0 -9.674 -2.983 2.611 0.00 0.00 H+0 HETATM 123 H UNK 0 -9.249 -1.259 2.480 0.00 0.00 H+0 HETATM 124 H UNK 0 -10.697 -1.967 1.566 0.00 0.00 H+0 HETATM 125 H UNK 0 -9.309 -4.082 -0.328 0.00 0.00 H+0 HETATM 126 H UNK 0 -9.920 -0.682 -0.972 0.00 0.00 H+0 HETATM 127 H UNK 0 -9.787 2.590 2.876 0.00 0.00 H+0 CONECT 1 2 79 80 81 CONECT 2 1 3 82 CONECT 3 2 4 77 CONECT 4 3 5 83 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 11 84 CONECT 8 7 9 10 85 CONECT 9 8 86 87 88 CONECT 10 8 89 CONECT 11 7 12 90 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 18 CONECT 15 14 16 91 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 14 CONECT 19 17 20 47 CONECT 20 19 21 92 CONECT 21 20 22 93 CONECT 22 21 23 46 CONECT 23 22 24 45 CONECT 24 23 25 CONECT 25 24 26 44 CONECT 26 25 27 43 CONECT 27 26 28 CONECT 28 27 29 42 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 94 CONECT 32 31 33 35 CONECT 33 32 34 95 CONECT 34 33 96 97 98 CONECT 35 32 36 37 CONECT 36 35 CONECT 37 35 38 99 CONECT 38 37 39 100 101 CONECT 39 38 40 41 CONECT 40 39 102 103 104 CONECT 41 39 CONECT 42 28 43 105 CONECT 43 42 26 CONECT 44 25 45 106 CONECT 45 44 23 CONECT 46 22 47 CONECT 47 46 48 19 CONECT 48 47 49 52 CONECT 49 48 50 107 CONECT 50 49 51 CONECT 51 50 52 53 CONECT 52 51 48 CONECT 53 51 54 58 108 CONECT 54 53 55 56 109 CONECT 55 54 110 111 112 CONECT 56 54 57 CONECT 57 56 113 114 115 CONECT 58 53 59 116 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 65 CONECT 62 61 63 117 CONECT 63 62 64 CONECT 64 63 65 66 CONECT 65 64 61 CONECT 66 64 67 71 118 CONECT 67 66 68 69 70 CONECT 68 67 119 120 121 CONECT 69 67 122 123 124 CONECT 70 67 125 CONECT 71 66 72 126 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 78 CONECT 75 74 76 127 CONECT 76 75 77 CONECT 77 76 78 3 CONECT 78 77 74 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 4 CONECT 84 7 CONECT 85 8 CONECT 86 9 CONECT 87 9 CONECT 88 9 CONECT 89 10 CONECT 90 11 CONECT 91 15 CONECT 92 20 CONECT 93 21 CONECT 94 31 CONECT 95 33 CONECT 96 34 CONECT 97 34 CONECT 98 34 CONECT 99 37 CONECT 100 38 CONECT 101 38 CONECT 102 40 CONECT 103 40 CONECT 104 40 CONECT 105 42 CONECT 106 44 CONECT 107 49 CONECT 108 53 CONECT 109 54 CONECT 110 55 CONECT 111 55 CONECT 112 55 CONECT 113 57 CONECT 114 57 CONECT 115 57 CONECT 116 58 CONECT 117 62 CONECT 118 66 CONECT 119 68 CONECT 120 68 CONECT 121 68 CONECT 122 69 CONECT 123 69 CONECT 124 69 CONECT 125 70 CONECT 126 71 CONECT 127 75 MASTER 0 0 0 0 0 0 0 0 127 0 268 0 END