HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.000 1.290 -3.191 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.807 -0.026 -2.418 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.296 -0.222 -2.001 0.00 0.00 C+0 HETATM 4 C UNK 0 0.607 -0.486 -3.226 0.00 0.00 C+0 HETATM 5 C UNK 0 2.126 -0.592 -3.002 0.00 0.00 C+0 HETATM 6 C UNK 0 2.662 0.656 -2.327 0.00 0.00 C+0 HETATM 7 C UNK 0 2.477 0.332 -0.837 0.00 0.00 C+0 HETATM 8 C UNK 0 3.681 0.865 -0.049 0.00 0.00 C+0 HETATM 9 O UNK 0 2.479 -1.115 -0.730 0.00 0.00 O+0 HETATM 10 C UNK 0 2.599 -1.693 -2.039 0.00 0.00 C+0 HETATM 11 C UNK 0 4.084 -2.040 -2.266 0.00 0.00 C+0 HETATM 12 C UNK 0 1.811 -3.001 -2.085 0.00 0.00 C+0 HETATM 13 C UNK 0 1.124 0.903 -0.309 0.00 0.00 C+0 HETATM 14 C UNK 0 0.522 0.268 0.966 0.00 0.00 C+0 HETATM 15 C UNK 0 1.386 0.412 2.227 0.00 0.00 C+0 HETATM 16 C UNK 0 0.615 0.242 3.555 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.109 -1.108 3.611 0.00 0.00 C+0 HETATM 18 C UNK 0 1.489 0.620 4.797 0.00 0.00 C+0 HETATM 19 C UNK 0 0.681 0.632 6.103 0.00 0.00 C+0 HETATM 20 C UNK 0 1.736 0.920 7.153 0.00 0.00 C+0 HETATM 21 C UNK 0 2.916 0.025 6.747 0.00 0.00 C+0 HETATM 22 C UNK 0 4.215 0.574 7.304 0.00 0.00 C+0 HETATM 23 C UNK 0 5.022 1.380 6.579 0.00 0.00 C+0 HETATM 24 C UNK 0 4.659 1.659 5.137 0.00 0.00 C+0 HETATM 25 C UNK 0 4.051 0.428 4.464 0.00 0.00 C+0 HETATM 26 C UNK 0 2.808 -0.146 5.184 0.00 0.00 C+0 HETATM 27 C UNK 0 2.749 -1.654 4.875 0.00 0.00 C+0 HETATM 28 C UNK 0 6.312 2.015 7.154 0.00 0.00 C+0 HETATM 29 C UNK 0 7.506 1.185 6.610 0.00 0.00 C+0 HETATM 30 C UNK 0 6.546 3.472 6.667 0.00 0.00 C+0 HETATM 31 C UNK 0 5.555 4.473 7.260 0.00 0.00 C+0 HETATM 32 O UNK 0 5.758 5.749 6.659 0.00 0.00 O+0 HETATM 33 S UNK 0 4.747 6.205 5.457 0.00 0.00 S+0 HETATM 34 O UNK 0 4.844 5.134 4.465 0.00 0.00 O+0 HETATM 35 O UNK 0 5.280 7.482 4.987 0.00 0.00 O+0 HETATM 36 O UNK 0 3.436 6.300 6.096 0.00 0.00 O-1 HETATM 37 C UNK 0 5.737 4.521 8.792 0.00 0.00 C+0 HETATM 38 O UNK 0 7.095 4.815 9.134 0.00 0.00 O+0 HETATM 39 S UNK 0 7.466 6.076 10.103 0.00 0.00 S+0 HETATM 40 O UNK 0 6.478 6.049 11.180 0.00 0.00 O+0 HETATM 41 O UNK 0 7.384 7.253 9.247 0.00 0.00 O+0 HETATM 42 O UNK 0 8.825 5.771 10.551 0.00 0.00 O-1 HETATM 43 C UNK 0 5.372 3.108 9.347 0.00 0.00 C+0 HETATM 44 C UNK 0 5.378 3.127 10.879 0.00 0.00 C+0 HETATM 45 C UNK 0 6.297 1.977 8.739 0.00 0.00 C+0 HETATM 46 C UNK 0 5.938 0.526 9.192 0.00 0.00 C+0 HETATM 47 O UNK 0 6.110 0.348 10.595 0.00 0.00 O+0 HETATM 48 S UNK 0 6.066 -1.155 11.240 0.00 0.00 S+0 HETATM 49 O UNK 0 4.641 -1.446 11.376 0.00 0.00 O+0 HETATM 50 O UNK 0 6.759 -2.008 10.275 0.00 0.00 O+0 HETATM 51 O UNK 0 6.768 -1.017 12.514 0.00 0.00 O-1 HETATM 52 C UNK 0 4.523 0.163 8.730 0.00 0.00 C+0 HETATM 53 O UNK 0 0.101 0.979 -1.328 0.00 0.00 O+0 HETATM 54 C UNK 0 -2.407 -1.240 -3.191 0.00 0.00 C+0 HETATM 55 C UNK 0 -2.298 -2.570 -2.394 0.00 0.00 C+0 HETATM 56 C UNK 0 -3.487 -3.449 -2.816 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.076 -2.722 -4.022 0.00 0.00 C+0 HETATM 58 C UNK 0 -5.444 -3.075 -4.561 0.00 0.00 C+0 HETATM 59 C UNK 0 -6.163 -2.154 -5.253 0.00 0.00 C+0 HETATM 60 C UNK 0 -5.653 -0.724 -5.422 0.00 0.00 C+0 HETATM 61 C UNK 0 -4.231 -0.433 -4.907 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.906 -1.225 -3.633 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.829 -0.780 -2.473 0.00 0.00 C+0 HETATM 64 C UNK 0 -7.555 -2.487 -5.848 0.00 0.00 C+0 HETATM 65 C UNK 0 -8.611 -1.980 -4.827 0.00 0.00 C+0 HETATM 66 C UNK 0 -7.873 -1.757 -7.179 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.031 -2.202 -8.375 0.00 0.00 C+0 HETATM 68 O UNK 0 -7.471 -1.398 -9.472 0.00 0.00 O+0 HETATM 69 S UNK 0 -6.936 -1.688 -10.979 0.00 0.00 S+0 HETATM 70 O UNK 0 -7.781 -2.801 -11.412 0.00 0.00 O+0 HETATM 71 O UNK 0 -5.526 -2.022 -10.811 0.00 0.00 O+0 HETATM 72 O UNK 0 -7.185 -0.434 -11.682 0.00 0.00 O-1 HETATM 73 C UNK 0 -7.201 -3.713 -8.599 0.00 0.00 C+0 HETATM 74 O UNK 0 -8.535 -3.999 -9.041 0.00 0.00 O+0 HETATM 75 C UNK 0 -6.873 -4.522 -7.323 0.00 0.00 C+0 HETATM 76 C UNK 0 -7.045 -6.017 -7.633 0.00 0.00 C+0 HETATM 77 C UNK 0 -7.707 -4.039 -6.079 0.00 0.00 C+0 HETATM 78 C UNK 0 -7.365 -4.771 -4.752 0.00 0.00 C+0 HETATM 79 O UNK 0 -7.591 -6.169 -4.863 0.00 0.00 O+0 HETATM 80 S UNK 0 -8.291 -6.963 -3.623 0.00 0.00 S+0 HETATM 81 O UNK 0 -9.621 -6.367 -3.523 0.00 0.00 O+0 HETATM 82 O UNK 0 -8.286 -8.356 -4.059 0.00 0.00 O+0 HETATM 83 O UNK 0 -7.418 -6.689 -2.485 0.00 0.00 O-1 HETATM 84 C UNK 0 -5.912 -4.500 -4.340 0.00 0.00 C+0 HETATM 85 Na UNK 0 2.862 -6.385 8.806 0.00 0.00 Na+1 HETATM 86 Na UNK 0 -2.765 1.622 3.993 0.00 0.00 Na+1 HETATM 87 Na UNK 0 7.652 2.626 -4.844 0.00 0.00 Na+1 HETATM 88 Na UNK 0 -2.243 9.561 1.768 0.00 0.00 Na+1 HETATM 89 Na UNK 0 8.637 5.557 -6.308 0.00 0.00 Na+1 HETATM 90 H UNK 0 -3.048 1.599 -3.178 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.681 1.195 -4.234 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.443 2.120 -2.745 0.00 0.00 H+0 HETATM 93 H UNK 0 -2.360 0.095 -1.476 0.00 0.00 H+0 HETATM 94 H UNK 0 -0.253 -1.059 -1.303 0.00 0.00 H+0 HETATM 95 H UNK 0 0.285 -1.401 -3.734 0.00 0.00 H+0 HETATM 96 H UNK 0 0.461 0.330 -3.946 0.00 0.00 H+0 HETATM 97 H UNK 0 2.586 -0.722 -3.990 0.00 0.00 H+0 HETATM 98 H UNK 0 3.721 0.777 -2.583 0.00 0.00 H+0 HETATM 99 H UNK 0 2.174 1.585 -2.642 0.00 0.00 H+0 HETATM 100 H UNK 0 4.624 0.542 -0.506 0.00 0.00 H+0 HETATM 101 H UNK 0 3.720 0.474 0.967 0.00 0.00 H+0 HETATM 102 H UNK 0 3.685 1.959 -0.012 0.00 0.00 H+0 HETATM 103 H UNK 0 4.738 -1.167 -2.184 0.00 0.00 H+0 HETATM 104 H UNK 0 4.436 -2.746 -1.504 0.00 0.00 H+0 HETATM 105 H UNK 0 4.239 -2.491 -3.252 0.00 0.00 H+0 HETATM 106 H UNK 0 1.784 -3.418 -3.096 0.00 0.00 H+0 HETATM 107 H UNK 0 2.260 -3.748 -1.419 0.00 0.00 H+0 HETATM 108 H UNK 0 0.788 -2.881 -1.724 0.00 0.00 H+0 HETATM 109 H UNK 0 1.302 1.960 -0.074 0.00 0.00 H+0 HETATM 110 H UNK 0 0.307 -0.793 0.795 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.455 0.739 1.141 0.00 0.00 H+0 HETATM 112 H UNK 0 2.182 -0.336 2.181 0.00 0.00 H+0 HETATM 113 H UNK 0 1.851 1.405 2.226 0.00 0.00 H+0 HETATM 114 H UNK 0 -0.187 0.996 3.540 0.00 0.00 H+0 HETATM 115 H UNK 0 -0.925 -1.131 2.880 0.00 0.00 H+0 HETATM 116 H UNK 0 0.550 -1.945 3.369 0.00 0.00 H+0 HETATM 117 H UNK 0 -0.569 -1.297 4.584 0.00 0.00 H+0 HETATM 118 H UNK 0 1.780 1.669 4.625 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.102 1.396 6.097 0.00 0.00 H+0 HETATM 120 H UNK 0 0.217 -0.337 6.312 0.00 0.00 H+0 HETATM 121 H UNK 0 2.009 1.983 7.128 0.00 0.00 H+0 HETATM 122 H UNK 0 1.376 0.693 8.161 0.00 0.00 H+0 HETATM 123 H UNK 0 2.747 -0.960 7.205 0.00 0.00 H+0 HETATM 124 H UNK 0 5.548 1.921 4.555 0.00 0.00 H+0 HETATM 125 H UNK 0 3.974 2.512 5.088 0.00 0.00 H+0 HETATM 126 H UNK 0 4.836 -0.340 4.418 0.00 0.00 H+0 HETATM 127 H UNK 0 3.822 0.672 3.423 0.00 0.00 H+0 HETATM 128 H UNK 0 2.750 -1.850 3.800 0.00 0.00 H+0 HETATM 129 H UNK 0 1.864 -2.123 5.319 0.00 0.00 H+0 HETATM 130 H UNK 0 3.623 -2.170 5.290 0.00 0.00 H+0 HETATM 131 H UNK 0 7.362 0.106 6.730 0.00 0.00 H+0 HETATM 132 H UNK 0 8.438 1.458 7.118 0.00 0.00 H+0 HETATM 133 H UNK 0 7.659 1.360 5.538 0.00 0.00 H+0 HETATM 134 H UNK 0 6.528 3.535 5.574 0.00 0.00 H+0 HETATM 135 H UNK 0 7.569 3.786 6.920 0.00 0.00 H+0 HETATM 136 H UNK 0 4.529 4.144 7.054 0.00 0.00 H+0 HETATM 137 H UNK 0 5.064 5.286 9.199 0.00 0.00 H+0 HETATM 138 H UNK 0 4.334 2.913 9.048 0.00 0.00 H+0 HETATM 139 H UNK 0 6.397 3.147 11.279 0.00 0.00 H+0 HETATM 140 H UNK 0 4.838 4.001 11.258 0.00 0.00 H+0 HETATM 141 H UNK 0 4.858 2.258 11.290 0.00 0.00 H+0 HETATM 142 H UNK 0 7.314 2.183 9.102 0.00 0.00 H+0 HETATM 143 H UNK 0 6.649 -0.150 8.707 0.00 0.00 H+0 HETATM 144 H UNK 0 3.779 0.600 9.408 0.00 0.00 H+0 HETATM 145 H UNK 0 4.402 -0.924 8.809 0.00 0.00 H+0 HETATM 146 H UNK 0 -1.821 -1.362 -4.112 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.327 -2.405 -1.311 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.355 -3.073 -2.628 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.160 -4.464 -3.067 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.210 -3.530 -1.996 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.393 -2.947 -4.860 0.00 0.00 H+0 HETATM 152 H UNK 0 -6.351 -0.052 -4.907 0.00 0.00 H+0 HETATM 153 H UNK 0 -5.664 -0.437 -6.478 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.513 -0.693 -5.697 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.136 0.646 -4.757 0.00 0.00 H+0 HETATM 156 H UNK 0 -5.881 -1.017 -2.659 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.564 -1.252 -1.522 0.00 0.00 H+0 HETATM 158 H UNK 0 -4.768 0.303 -2.319 0.00 0.00 H+0 HETATM 159 H UNK 0 -9.611 -2.350 -5.080 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.389 -2.288 -3.800 0.00 0.00 H+0 HETATM 161 H UNK 0 -8.661 -0.885 -4.818 0.00 0.00 H+0 HETATM 162 H UNK 0 -8.934 -1.909 -7.428 0.00 0.00 H+0 HETATM 163 H UNK 0 -7.792 -0.667 -7.064 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.975 -1.975 -8.188 0.00 0.00 H+0 HETATM 165 H UNK 0 -6.529 -4.050 -9.397 0.00 0.00 H+0 HETATM 166 H UNK 0 -8.566 -3.641 -9.961 0.00 0.00 H+0 HETATM 167 H UNK 0 -5.807 -4.361 -7.120 0.00 0.00 H+0 HETATM 168 H UNK 0 -8.098 -6.314 -7.617 0.00 0.00 H+0 HETATM 169 H UNK 0 -6.493 -6.636 -6.920 0.00 0.00 H+0 HETATM 170 H UNK 0 -6.641 -6.263 -8.621 0.00 0.00 H+0 HETATM 171 H UNK 0 -8.760 -4.260 -6.305 0.00 0.00 H+0 HETATM 172 H UNK 0 -8.021 -4.380 -3.967 0.00 0.00 H+0 HETATM 173 H UNK 0 -5.813 -4.757 -3.280 0.00 0.00 H+0 HETATM 174 H UNK 0 -5.239 -5.183 -4.875 0.00 0.00 H+0 CONECT 1 2 90 91 92 CONECT 2 54 3 1 93 CONECT 3 2 4 53 94 CONECT 4 5 3 95 96 CONECT 5 4 10 6 97 CONECT 6 5 7 98 99 CONECT 7 13 9 6 8 CONECT 8 7 100 101 102 CONECT 9 7 10 CONECT 10 5 9 11 12 CONECT 11 10 103 104 105 CONECT 12 10 106 107 108 CONECT 13 14 53 7 109 CONECT 14 15 13 110 111 CONECT 15 16 14 112 113 CONECT 16 18 17 15 114 CONECT 17 16 115 116 117 CONECT 18 19 26 16 118 CONECT 19 20 18 119 120 CONECT 20 21 19 121 122 CONECT 21 22 26 20 123 CONECT 22 21 52 23 CONECT 23 24 28 22 CONECT 24 23 25 124 125 CONECT 25 26 24 126 127 CONECT 26 25 21 18 27 CONECT 27 26 128 129 130 CONECT 28 29 30 45 23 CONECT 29 28 131 132 133 CONECT 30 31 28 134 135 CONECT 31 32 37 30 136 CONECT 32 31 33 CONECT 33 32 36 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 33 CONECT 37 38 31 43 137 CONECT 38 37 39 CONECT 39 38 42 40 41 CONECT 40 39 CONECT 41 39 CONECT 42 39 CONECT 43 44 37 45 138 CONECT 44 43 139 140 141 CONECT 45 43 28 46 142 CONECT 46 47 45 52 143 CONECT 47 46 48 CONECT 48 47 51 49 50 CONECT 49 48 CONECT 50 48 CONECT 51 48 CONECT 52 46 22 144 145 CONECT 53 3 13 CONECT 54 2 55 62 146 CONECT 55 56 54 147 148 CONECT 56 57 55 149 150 CONECT 57 58 62 56 151 CONECT 58 59 57 84 CONECT 59 58 60 64 CONECT 60 59 61 152 153 CONECT 61 62 60 154 155 CONECT 62 63 61 57 54 CONECT 63 62 156 157 158 CONECT 64 65 66 77 59 CONECT 65 64 159 160 161 CONECT 66 64 67 162 163 CONECT 67 68 73 66 164 CONECT 68 67 69 CONECT 69 68 72 70 71 CONECT 70 69 CONECT 71 69 CONECT 72 69 CONECT 73 67 75 74 165 CONECT 74 73 166 CONECT 75 76 77 73 167 CONECT 76 75 168 169 170 CONECT 77 75 64 78 171 CONECT 78 79 77 84 172 CONECT 79 78 80 CONECT 80 79 83 81 82 CONECT 81 80 CONECT 82 80 CONECT 83 80 CONECT 84 78 58 173 174 CONECT 90 1 CONECT 91 1 CONECT 92 1 CONECT 93 2 CONECT 94 3 CONECT 95 4 CONECT 96 4 CONECT 97 5 CONECT 98 6 CONECT 99 6 CONECT 100 8 CONECT 101 8 CONECT 102 8 CONECT 103 11 CONECT 104 11 CONECT 105 11 CONECT 106 12 CONECT 107 12 CONECT 108 12 CONECT 109 13 CONECT 110 14 CONECT 111 14 CONECT 112 15 CONECT 113 15 CONECT 114 16 CONECT 115 17 CONECT 116 17 CONECT 117 17 CONECT 118 18 CONECT 119 19 CONECT 120 19 CONECT 121 20 CONECT 122 20 CONECT 123 21 CONECT 124 24 CONECT 125 24 CONECT 126 25 CONECT 127 25 CONECT 128 27 CONECT 129 27 CONECT 130 27 CONECT 131 29 CONECT 132 29 CONECT 133 29 CONECT 134 30 CONECT 135 30 CONECT 136 31 CONECT 137 37 CONECT 138 43 CONECT 139 44 CONECT 140 44 CONECT 141 44 CONECT 142 45 CONECT 143 46 CONECT 144 52 CONECT 145 52 CONECT 146 54 CONECT 147 55 CONECT 148 55 CONECT 149 56 CONECT 150 56 CONECT 151 57 CONECT 152 60 CONECT 153 60 CONECT 154 61 CONECT 155 61 CONECT 156 63 CONECT 157 63 CONECT 158 63 CONECT 159 65 CONECT 160 65 CONECT 161 65 CONECT 162 66 CONECT 163 66 CONECT 164 67 CONECT 165 73 CONECT 166 74 CONECT 167 75 CONECT 168 76 CONECT 169 76 CONECT 170 76 CONECT 171 77 CONECT 172 78 CONECT 173 84 CONECT 174 84 MASTER 0 0 0 0 0 0 0 0 174 0 356 0 END