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 -4.963 -5.477 -0.002 0.00 0.00 C+0 HETATM 2 O UNK 0 -4.012 -4.517 -0.270 0.00 0.00 O+0 HETATM 3 C UNK 0 -4.017 -3.479 0.652 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.924 -2.472 0.247 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.896 -1.374 1.285 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.336 -1.691 2.379 0.00 0.00 O+0 HETATM 7 N UNK 0 -3.447 -0.088 1.066 0.00 0.00 N+0 HETATM 8 C UNK 0 -4.684 0.164 0.373 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.810 0.580 1.205 0.00 0.00 C+0 HETATM 10 O UNK 0 -6.867 -0.150 1.147 0.00 0.00 O+0 HETATM 11 N UNK 0 -5.905 1.678 2.071 0.00 0.00 N+0 HETATM 12 N UNK 0 -6.761 1.637 3.192 0.00 0.00 N+0 HETATM 13 C UNK 0 -5.932 1.824 4.357 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.106 3.090 4.319 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.207 3.063 3.045 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.166 2.943 1.924 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.746 3.246 0.574 0.00 0.00 C+0 HETATM 18 O UNK 0 -5.764 3.277 -0.252 0.00 0.00 O+0 HETATM 19 N UNK 0 -3.488 3.503 0.019 0.00 0.00 N+0 HETATM 20 O UNK 0 -3.452 3.858 -1.316 0.00 0.00 O+0 HETATM 21 C UNK 0 -2.183 3.462 0.618 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.674 4.877 0.789 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.198 2.759 -0.337 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.157 3.445 -0.506 0.00 0.00 O+0 HETATM 25 O UNK 0 -1.587 1.591 -0.806 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.551 0.702 -1.837 0.00 0.00 C+0 HETATM 27 C UNK 0 -1.938 1.215 -3.170 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.151 2.322 -3.769 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.325 0.146 -4.167 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.294 -0.109 -1.703 0.00 0.00 C+0 HETATM 31 N UNK 0 0.866 0.773 -1.456 0.00 0.00 N+0 HETATM 32 C UNK 0 1.606 0.686 -0.261 0.00 0.00 C+0 HETATM 33 O UNK 0 1.261 -0.167 0.591 0.00 0.00 O+0 HETATM 34 C UNK 0 2.748 1.556 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 2.479 2.297 1.291 0.00 0.00 C+0 HETATM 36 O UNK 0 2.944 2.509 -1.002 0.00 0.00 O+0 HETATM 37 C UNK 0 4.062 0.808 0.115 0.00 0.00 C+0 HETATM 38 O UNK 0 4.382 0.191 -1.081 0.00 0.00 O+0 HETATM 39 C UNK 0 4.105 -0.159 1.253 0.00 0.00 C+0 HETATM 40 C UNK 0 5.484 -0.844 1.257 0.00 0.00 C+0 HETATM 41 C UNK 0 6.526 0.221 1.370 0.00 0.00 C+0 HETATM 42 C UNK 0 7.934 -0.210 1.203 0.00 0.00 C+0 HETATM 43 C UNK 0 8.501 -1.212 2.125 0.00 0.00 C+0 HETATM 44 C UNK 0 7.854 -2.561 2.128 0.00 0.00 C+0 HETATM 45 C UNK 0 8.532 -0.689 3.578 0.00 0.00 C+0 HETATM 46 C UNK 0 6.244 1.245 0.259 0.00 0.00 C+0 HETATM 47 C UNK 0 7.335 2.295 0.198 0.00 0.00 C+0 HETATM 48 O UNK 0 5.013 1.815 0.427 0.00 0.00 O+0 HETATM 49 C UNK 0 0.023 -1.033 -2.793 0.00 0.00 C+0 HETATM 50 O UNK 0 0.453 -0.372 -3.819 0.00 0.00 O+0 HETATM 51 N UNK 0 -0.045 -2.405 -2.926 0.00 0.00 N+0 HETATM 52 N UNK 0 0.595 -2.974 -4.086 0.00 0.00 N+0 HETATM 53 C UNK 0 -0.112 -4.165 -4.484 0.00 0.00 C+0 HETATM 54 C UNK 0 -1.595 -4.077 -4.233 0.00 0.00 C+0 HETATM 55 C UNK 0 -1.929 -3.821 -2.769 0.00 0.00 C+0 HETATM 56 C UNK 0 -0.648 -3.406 -2.107 0.00 0.00 C+0 HETATM 57 C UNK 0 -0.648 -3.230 -0.672 0.00 0.00 C+0 HETATM 58 O UNK 0 0.537 -3.074 -0.173 0.00 0.00 O+0 HETATM 59 N UNK 0 -1.679 -3.199 0.267 0.00 0.00 N+0 HETATM 60 O UNK 0 -1.557 -3.956 1.425 0.00 0.00 O+0 HETATM 61 H UNK 0 -5.978 -5.026 -0.023 0.00 0.00 H+0 HETATM 62 H UNK 0 -4.747 -5.971 0.958 0.00 0.00 H+0 HETATM 63 H UNK 0 -4.938 -6.255 -0.791 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.779 -3.917 1.645 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.013 -3.043 0.668 0.00 0.00 H+0 HETATM 66 H UNK 0 -3.243 -2.067 -0.698 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.894 0.729 1.447 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.506 0.872 -0.491 0.00 0.00 H+0 HETATM 69 H UNK 0 -4.910 -0.802 -0.164 0.00 0.00 H+0 HETATM 70 H UNK 0 -7.449 2.428 3.075 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.238 0.942 4.395 0.00 0.00 H+0 HETATM 72 H UNK 0 -6.579 1.896 5.252 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.439 3.093 5.176 0.00 0.00 H+0 HETATM 74 H UNK 0 -5.777 3.954 4.302 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.528 2.197 3.199 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.717 4.047 3.053 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.974 3.727 2.165 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.257 4.387 -1.546 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.114 3.000 1.598 0.00 0.00 H+0 HETATM 80 H UNK 0 -0.918 4.912 1.609 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.522 5.523 1.161 0.00 0.00 H+0 HETATM 82 H UNK 0 -1.292 5.333 -0.124 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.373 -0.067 -1.601 0.00 0.00 H+0 HETATM 84 H UNK 0 -2.955 1.715 -2.938 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.821 3.114 -4.238 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.499 2.891 -3.118 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.536 2.012 -4.670 0.00 0.00 H+0 HETATM 88 H UNK 0 -2.216 -0.883 -3.779 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.422 0.191 -4.453 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.826 0.292 -5.169 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.415 -0.640 -0.715 0.00 0.00 H+0 HETATM 92 H UNK 0 1.150 1.473 -2.167 0.00 0.00 H+0 HETATM 93 H UNK 0 1.683 1.768 1.867 0.00 0.00 H+0 HETATM 94 H UNK 0 3.428 2.347 1.863 0.00 0.00 H+0 HETATM 95 H UNK 0 2.106 3.305 1.027 0.00 0.00 H+0 HETATM 96 H UNK 0 3.037 2.084 -1.867 0.00 0.00 H+0 HETATM 97 H UNK 0 4.590 0.829 -1.778 0.00 0.00 H+0 HETATM 98 H UNK 0 4.037 0.428 2.193 0.00 0.00 H+0 HETATM 99 H UNK 0 3.333 -0.948 1.231 0.00 0.00 H+0 HETATM 100 H UNK 0 5.584 -1.339 0.271 0.00 0.00 H+0 HETATM 101 H UNK 0 5.503 -1.557 2.115 0.00 0.00 H+0 HETATM 102 H UNK 0 6.403 0.738 2.356 0.00 0.00 H+0 HETATM 103 H UNK 0 8.611 0.686 1.220 0.00 0.00 H+0 HETATM 104 H UNK 0 8.033 -0.581 0.141 0.00 0.00 H+0 HETATM 105 H UNK 0 9.598 -1.392 1.901 0.00 0.00 H+0 HETATM 106 H UNK 0 7.291 -2.727 1.196 0.00 0.00 H+0 HETATM 107 H UNK 0 7.259 -2.760 3.037 0.00 0.00 H+0 HETATM 108 H UNK 0 8.638 -3.388 2.116 0.00 0.00 H+0 HETATM 109 H UNK 0 7.521 -0.627 3.986 0.00 0.00 H+0 HETATM 110 H UNK 0 9.084 0.267 3.540 0.00 0.00 H+0 HETATM 111 H UNK 0 9.115 -1.426 4.168 0.00 0.00 H+0 HETATM 112 H UNK 0 6.265 0.682 -0.689 0.00 0.00 H+0 HETATM 113 H UNK 0 6.909 3.170 -0.347 0.00 0.00 H+0 HETATM 114 H UNK 0 8.140 1.898 -0.443 0.00 0.00 H+0 HETATM 115 H UNK 0 7.692 2.607 1.198 0.00 0.00 H+0 HETATM 116 H UNK 0 0.678 -2.297 -4.846 0.00 0.00 H+0 HETATM 117 H UNK 0 0.352 -5.089 -4.082 0.00 0.00 H+0 HETATM 118 H UNK 0 0.000 -4.255 -5.596 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.999 -3.311 -4.910 0.00 0.00 H+0 HETATM 120 H UNK 0 -2.017 -5.047 -4.590 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.626 -2.980 -2.768 0.00 0.00 H+0 HETATM 122 H UNK 0 -2.328 -4.777 -2.376 0.00 0.00 H+0 HETATM 123 H UNK 0 -0.009 -4.381 -2.208 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.922 -4.849 1.303 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 1 3 CONECT 3 2 4 64 65 CONECT 4 3 5 59 66 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 67 CONECT 8 7 9 68 69 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 16 CONECT 12 11 13 70 CONECT 13 12 14 71 72 CONECT 14 13 15 73 74 CONECT 15 14 16 75 76 CONECT 16 15 17 11 77 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 78 CONECT 21 19 22 23 79 CONECT 22 21 80 81 82 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 30 83 CONECT 27 26 28 29 84 CONECT 28 27 85 86 87 CONECT 29 27 88 89 90 CONECT 30 26 31 49 91 CONECT 31 30 32 92 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 36 37 CONECT 35 34 93 94 95 CONECT 36 34 96 CONECT 37 34 38 39 48 CONECT 38 37 97 CONECT 39 37 40 98 99 CONECT 40 39 41 100 101 CONECT 41 40 42 46 102 CONECT 42 41 43 103 104 CONECT 43 42 44 45 105 CONECT 44 43 106 107 108 CONECT 45 43 109 110 111 CONECT 46 41 47 48 112 CONECT 47 46 113 114 115 CONECT 48 46 37 CONECT 49 30 50 51 CONECT 50 49 CONECT 51 49 52 56 CONECT 52 51 53 116 CONECT 53 52 54 117 118 CONECT 54 53 55 119 120 CONECT 55 54 56 121 122 CONECT 56 55 57 51 123 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 4 CONECT 60 59 124 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 3 CONECT 65 3 CONECT 66 4 CONECT 67 7 CONECT 68 8 CONECT 69 8 CONECT 70 12 CONECT 71 13 CONECT 72 13 CONECT 73 14 CONECT 74 14 CONECT 75 15 CONECT 76 15 CONECT 77 16 CONECT 78 20 CONECT 79 21 CONECT 80 22 CONECT 81 22 CONECT 82 22 CONECT 83 26 CONECT 84 27 CONECT 85 28 CONECT 86 28 CONECT 87 28 CONECT 88 29 CONECT 89 29 CONECT 90 29 CONECT 91 30 CONECT 92 31 CONECT 93 35 CONECT 94 35 CONECT 95 35 CONECT 96 36 CONECT 97 38 CONECT 98 39 CONECT 99 39 CONECT 100 40 CONECT 101 40 CONECT 102 41 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 44 CONECT 107 44 CONECT 108 44 CONECT 109 45 CONECT 110 45 CONECT 111 45 CONECT 112 46 CONECT 113 47 CONECT 114 47 CONECT 115 47 CONECT 116 52 CONECT 117 53 CONECT 118 53 CONECT 119 54 CONECT 120 54 CONECT 121 55 CONECT 122 55 CONECT 123 56 CONECT 124 60 MASTER 0 0 0 0 0 0 0 0 124 0 254 0 END