HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -2.582 7.371 -1.673 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.232 7.421 -2.383 0.00 0.00 C+0 HETATM 3 O UNK 0 -1.383 7.140 -3.784 0.00 0.00 O+0 HETATM 4 C UNK 0 -1.149 5.776 -4.162 0.00 0.00 C+0 HETATM 5 O UNK 0 -2.062 4.916 -3.487 0.00 0.00 O+0 HETATM 6 C UNK 0 -2.303 3.660 -4.162 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.653 2.608 -3.076 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.415 2.134 -2.521 0.00 0.00 O+0 HETATM 9 C UNK 0 -1.594 1.239 -1.415 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.168 -0.150 -1.881 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.277 -1.181 -0.765 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.443 -0.837 0.501 0.00 0.00 C+0 HETATM 13 C UNK 0 1.053 -1.052 0.157 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.728 -1.812 1.688 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.316 -3.023 1.525 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.380 -4.125 2.561 0.00 0.00 C+0 HETATM 17 O UNK 0 -2.738 -4.363 2.928 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.526 -3.819 3.793 0.00 0.00 C+0 HETATM 19 C UNK 0 0.894 -4.258 3.422 0.00 0.00 C+0 HETATM 20 O UNK 0 1.659 -3.700 2.652 0.00 0.00 O+0 HETATM 21 O UNK 0 1.218 -5.444 4.001 0.00 0.00 O+0 HETATM 22 C UNK 0 0.220 -5.855 4.947 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.540 -7.044 4.316 0.00 0.00 C+0 HETATM 24 C UNK 0 0.954 -6.343 6.227 0.00 0.00 C+0 HETATM 25 C UNK 0 1.724 -7.655 6.077 0.00 0.00 C+0 HETATM 26 C UNK 0 2.742 -7.557 7.188 0.00 0.00 C+0 HETATM 27 C UNK 0 3.110 -6.078 7.162 0.00 0.00 C+0 HETATM 28 C UNK 0 4.267 -5.787 6.204 0.00 0.00 C+0 HETATM 29 C UNK 0 3.432 -5.545 8.555 0.00 0.00 C+0 HETATM 30 O UNK 0 1.949 -5.389 6.664 0.00 0.00 O+0 HETATM 31 C UNK 0 -0.700 -4.614 5.117 0.00 0.00 C+0 HETATM 32 O UNK 0 -2.037 -5.053 5.388 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.350 -3.569 6.221 0.00 0.00 C+0 HETATM 34 C UNK 0 0.111 -2.292 5.505 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.692 -2.322 4.200 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.174 -1.947 4.542 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.168 -1.386 3.063 0.00 0.00 C+0 HETATM 38 C UNK 0 -0.423 0.102 3.371 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.037 1.025 2.221 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.803 0.629 0.942 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.778 1.737 -0.182 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.496 3.013 0.346 0.00 0.00 C+0 HETATM 43 C UNK 0 0.641 2.188 -0.586 0.00 0.00 C+0 HETATM 44 O UNK 0 -3.459 1.525 -3.534 0.00 0.00 O+0 HETATM 45 C UNK 0 -3.252 1.215 -4.910 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.720 2.361 -5.805 0.00 0.00 C+0 HETATM 47 O UNK 0 -5.125 2.220 -6.006 0.00 0.00 O+0 HETATM 48 S UNK 0 -5.722 2.633 -7.463 0.00 0.00 S+0 HETATM 49 O UNK 0 -5.143 1.635 -8.354 0.00 0.00 O+0 HETATM 50 O UNK 0 -7.163 2.543 -7.279 0.00 0.00 O+0 HETATM 51 O UNK 0 -5.209 3.989 -7.653 0.00 0.00 O-1 HETATM 52 C UNK 0 -3.459 3.741 -5.169 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.139 4.679 -6.211 0.00 0.00 O+0 HETATM 54 C UNK 0 0.328 5.390 -3.866 0.00 0.00 C+0 HETATM 55 O UNK 0 1.191 5.604 -5.002 0.00 0.00 O+0 HETATM 56 C UNK 0 0.909 6.216 -2.711 0.00 0.00 C+0 HETATM 57 O UNK 0 1.983 5.508 -2.065 0.00 0.00 O+0 HETATM 58 C UNK 0 -0.176 6.544 -1.692 0.00 0.00 C+0 HETATM 59 O UNK 0 0.402 7.227 -0.572 0.00 0.00 O+0 HETATM 60 Na UNK 0 -9.076 -0.719 0.877 0.00 0.00 Na+1 HETATM 61 H UNK 0 -2.992 6.357 -1.649 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.497 7.727 -0.642 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.313 7.994 -2.199 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.901 8.466 -2.334 0.00 0.00 H+0 HETATM 65 H UNK 0 -1.315 5.743 -5.241 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.383 3.359 -4.682 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.209 3.103 -2.270 0.00 0.00 H+0 HETATM 68 H UNK 0 -2.653 1.189 -1.125 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.157 -0.124 -2.303 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.806 -0.465 -2.716 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.969 -2.151 -1.178 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.337 -1.275 -0.494 0.00 0.00 H+0 HETATM 73 H UNK 0 1.727 -0.719 0.951 0.00 0.00 H+0 HETATM 74 H UNK 0 1.262 -2.118 -0.006 0.00 0.00 H+0 HETATM 75 H UNK 0 1.360 -0.550 -0.760 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.679 -3.329 0.547 0.00 0.00 H+0 HETATM 77 H UNK 0 -1.031 -5.039 2.065 0.00 0.00 H+0 HETATM 78 H UNK 0 -3.301 -4.055 2.193 0.00 0.00 H+0 HETATM 79 H UNK 0 -1.138 -6.741 3.454 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.210 -7.520 5.039 0.00 0.00 H+0 HETATM 81 H UNK 0 0.152 -7.801 3.930 0.00 0.00 H+0 HETATM 82 H UNK 0 0.228 -6.449 7.043 0.00 0.00 H+0 HETATM 83 H UNK 0 2.240 -7.708 5.112 0.00 0.00 H+0 HETATM 84 H UNK 0 1.083 -8.536 6.172 0.00 0.00 H+0 HETATM 85 H UNK 0 2.262 -7.827 8.136 0.00 0.00 H+0 HETATM 86 H UNK 0 3.597 -8.225 7.047 0.00 0.00 H+0 HETATM 87 H UNK 0 5.186 -6.293 6.519 0.00 0.00 H+0 HETATM 88 H UNK 0 4.465 -4.710 6.151 0.00 0.00 H+0 HETATM 89 H UNK 0 4.031 -6.103 5.182 0.00 0.00 H+0 HETATM 90 H UNK 0 3.638 -4.469 8.523 0.00 0.00 H+0 HETATM 91 H UNK 0 2.577 -5.673 9.229 0.00 0.00 H+0 HETATM 92 H UNK 0 4.298 -6.054 8.990 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.584 -4.882 4.589 0.00 0.00 H+0 HETATM 94 H UNK 0 0.387 -3.874 6.958 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.246 -3.338 6.813 0.00 0.00 H+0 HETATM 96 H UNK 0 1.190 -2.335 5.315 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.079 -1.401 6.111 0.00 0.00 H+0 HETATM 98 H UNK 0 -2.218 -1.024 5.132 0.00 0.00 H+0 HETATM 99 H UNK 0 -2.780 -1.788 3.644 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.690 -2.700 5.139 0.00 0.00 H+0 HETATM 101 H UNK 0 0.923 -1.484 3.009 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.481 0.290 3.585 0.00 0.00 H+0 HETATM 103 H UNK 0 0.135 0.394 4.268 0.00 0.00 H+0 HETATM 104 H UNK 0 1.047 1.002 2.069 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.282 2.046 2.528 0.00 0.00 H+0 HETATM 106 H UNK 0 -1.864 0.576 1.241 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.917 3.519 1.125 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.482 2.773 0.758 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.649 3.745 -0.453 0.00 0.00 H+0 HETATM 110 H UNK 0 1.248 2.451 0.285 0.00 0.00 H+0 HETATM 111 H UNK 0 1.180 1.436 -1.161 0.00 0.00 H+0 HETATM 112 H UNK 0 0.601 3.084 -1.218 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.810 0.299 -5.129 0.00 0.00 H+0 HETATM 114 H UNK 0 -2.188 1.001 -5.066 0.00 0.00 H+0 HETATM 115 H UNK 0 -3.200 2.264 -6.766 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.354 4.133 -4.671 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.907 4.646 -6.842 0.00 0.00 H+0 HETATM 118 H UNK 0 0.409 4.322 -3.636 0.00 0.00 H+0 HETATM 119 H UNK 0 0.866 6.400 -5.463 0.00 0.00 H+0 HETATM 120 H UNK 0 1.362 7.144 -3.082 0.00 0.00 H+0 HETATM 121 H UNK 0 2.554 5.189 -2.792 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.611 5.619 -1.301 0.00 0.00 H+0 HETATM 123 H UNK 0 1.224 6.729 -0.383 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 58 3 1 64 CONECT 3 2 4 CONECT 4 54 3 5 65 CONECT 5 6 4 CONECT 6 5 52 7 66 CONECT 7 8 6 44 67 CONECT 8 7 9 CONECT 9 10 41 8 68 CONECT 10 9 11 69 70 CONECT 11 10 12 71 72 CONECT 12 13 11 40 14 CONECT 13 12 73 74 75 CONECT 14 37 15 12 CONECT 15 14 16 76 CONECT 16 18 15 17 77 CONECT 17 16 78 CONECT 18 16 35 31 19 CONECT 19 21 18 20 CONECT 20 19 CONECT 21 22 19 CONECT 22 31 21 23 24 CONECT 23 22 79 80 81 CONECT 24 22 30 25 82 CONECT 25 26 24 83 84 CONECT 26 27 25 85 86 CONECT 27 30 26 28 29 CONECT 28 27 87 88 89 CONECT 29 27 90 91 92 CONECT 30 24 27 CONECT 31 33 18 22 32 CONECT 32 31 93 CONECT 33 34 31 94 95 CONECT 34 35 33 96 97 CONECT 35 37 18 34 36 CONECT 36 35 98 99 100 CONECT 37 14 35 38 101 CONECT 38 39 37 102 103 CONECT 39 40 38 104 105 CONECT 40 41 12 39 106 CONECT 41 42 43 9 40 CONECT 42 41 107 108 109 CONECT 43 41 110 111 112 CONECT 44 7 45 CONECT 45 44 46 113 114 CONECT 46 45 52 47 115 CONECT 47 48 46 CONECT 48 47 49 50 51 CONECT 49 48 CONECT 50 48 CONECT 51 48 CONECT 52 6 46 53 116 CONECT 53 52 117 CONECT 54 4 56 55 118 CONECT 55 54 119 CONECT 56 54 58 57 120 CONECT 57 56 121 CONECT 58 56 2 59 122 CONECT 59 58 123 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 2 CONECT 65 4 CONECT 66 6 CONECT 67 7 CONECT 68 9 CONECT 69 10 CONECT 70 10 CONECT 71 11 CONECT 72 11 CONECT 73 13 CONECT 74 13 CONECT 75 13 CONECT 76 15 CONECT 77 16 CONECT 78 17 CONECT 79 23 CONECT 80 23 CONECT 81 23 CONECT 82 24 CONECT 83 25 CONECT 84 25 CONECT 85 26 CONECT 86 26 CONECT 87 28 CONECT 88 28 CONECT 89 28 CONECT 90 29 CONECT 91 29 CONECT 92 29 CONECT 93 32 CONECT 94 33 CONECT 95 33 CONECT 96 34 CONECT 97 34 CONECT 98 36 CONECT 99 36 CONECT 100 36 CONECT 101 37 CONECT 102 38 CONECT 103 38 CONECT 104 39 CONECT 105 39 CONECT 106 40 CONECT 107 42 CONECT 108 42 CONECT 109 42 CONECT 110 43 CONECT 111 43 CONECT 112 43 CONECT 113 45 CONECT 114 45 CONECT 115 46 CONECT 116 52 CONECT 117 53 CONECT 118 54 CONECT 119 55 CONECT 120 56 CONECT 121 57 CONECT 122 58 CONECT 123 59 MASTER 0 0 0 0 0 0 0 0 123 0 258 0 END