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 N UNK 0 17.476 -3.656 -1.152 0.00 0.00 N+0 HETATM 2 C UNK 0 17.227 -3.490 0.284 0.00 0.00 C+0 HETATM 3 C UNK 0 15.778 -2.987 0.510 0.00 0.00 C+0 HETATM 4 C UNK 0 14.855 -3.990 -0.053 0.00 0.00 C+0 HETATM 5 C UNK 0 13.401 -3.804 0.053 0.00 0.00 C+0 HETATM 6 N UNK 0 12.869 -2.621 -0.518 0.00 0.00 N+0 HETATM 7 C UNK 0 13.012 -1.298 -0.075 0.00 0.00 C+0 HETATM 8 O UNK 0 13.645 -1.023 0.967 0.00 0.00 O+0 HETATM 9 C UNK 0 12.406 -0.184 -0.832 0.00 0.00 C+0 HETATM 10 C UNK 0 13.413 0.684 -1.552 0.00 0.00 C+0 HETATM 11 C UNK 0 14.387 1.359 -0.658 0.00 0.00 C+0 HETATM 12 C UNK 0 15.368 2.225 -1.452 0.00 0.00 C+0 HETATM 13 N UNK 0 16.242 2.817 -0.441 0.00 0.00 N+0 HETATM 14 O UNK 0 15.879 4.005 0.082 0.00 0.00 O+0 HETATM 15 C UNK 0 17.402 2.134 -0.067 0.00 0.00 C+0 HETATM 16 O UNK 0 18.146 2.669 0.811 0.00 0.00 O+0 HETATM 17 N UNK 0 11.764 0.720 0.161 0.00 0.00 N+0 HETATM 18 C UNK 0 10.485 1.167 -0.207 0.00 0.00 C+0 HETATM 19 O UNK 0 10.001 0.804 -1.341 0.00 0.00 O+0 HETATM 20 C UNK 0 9.635 2.032 0.629 0.00 0.00 C+0 HETATM 21 C UNK 0 9.200 1.028 1.777 0.00 0.00 C+0 HETATM 22 O UNK 0 8.640 -0.043 1.123 0.00 0.00 O+0 HETATM 23 N UNK 0 8.401 2.338 -0.056 0.00 0.00 N+0 HETATM 24 C UNK 0 7.300 2.988 0.494 0.00 0.00 C+0 HETATM 25 O UNK 0 7.398 3.349 1.717 0.00 0.00 O+0 HETATM 26 C UNK 0 6.040 3.269 -0.200 0.00 0.00 C+0 HETATM 27 N UNK 0 4.973 2.834 0.701 0.00 0.00 N+0 HETATM 28 C UNK 0 3.699 3.346 0.843 0.00 0.00 C+0 HETATM 29 O UNK 0 3.298 4.343 0.170 0.00 0.00 O+0 HETATM 30 C UNK 0 2.682 2.693 1.847 0.00 0.00 C+0 HETATM 31 C UNK 0 2.769 1.275 1.490 0.00 0.00 C+0 HETATM 32 C UNK 0 2.008 0.204 2.132 0.00 0.00 C+0 HETATM 33 C UNK 0 0.539 0.182 2.113 0.00 0.00 C+0 HETATM 34 N UNK 0 -0.167 0.195 0.936 0.00 0.00 N+0 HETATM 35 N UNK 0 -0.019 -0.111 -0.259 0.00 0.00 N+1 HETATM 36 O UNK 0 1.157 -0.630 -0.649 0.00 0.00 O-1 HETATM 37 C UNK 0 -1.051 0.169 -1.206 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.286 -0.754 -2.291 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.550 -2.182 -2.140 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.641 -2.647 -1.202 0.00 0.00 C+0 HETATM 41 N UNK 0 -2.805 -4.084 -1.362 0.00 0.00 N+0 HETATM 42 C UNK 0 -2.133 -4.981 -0.533 0.00 0.00 C+0 HETATM 43 O UNK 0 -1.350 -4.632 0.386 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.886 -1.910 -1.321 0.00 0.00 C+0 HETATM 45 O UNK 0 -4.675 -2.096 -2.268 0.00 0.00 O+0 HETATM 46 N UNK 0 -4.209 -0.955 -0.310 0.00 0.00 N+0 HETATM 47 C UNK 0 -5.433 -0.134 -0.310 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.533 -1.107 -0.144 0.00 0.00 C+0 HETATM 49 O UNK 0 -6.221 -2.325 0.110 0.00 0.00 O+0 HETATM 50 N UNK 0 -7.867 -0.726 -0.267 0.00 0.00 N+0 HETATM 51 C UNK 0 -8.947 -1.689 -0.105 0.00 0.00 C+0 HETATM 52 C UNK 0 -9.094 -1.913 1.422 0.00 0.00 C+0 HETATM 53 O UNK 0 -9.438 -0.758 2.068 0.00 0.00 O+0 HETATM 54 C UNK 0 -10.224 -1.143 -0.639 0.00 0.00 C+0 HETATM 55 O UNK 0 -10.223 -0.517 -1.720 0.00 0.00 O+0 HETATM 56 N UNK 0 -11.359 -1.351 0.104 0.00 0.00 N+0 HETATM 57 C UNK 0 -12.756 -0.832 -0.276 0.00 0.00 C+0 HETATM 58 C UNK 0 -13.347 -1.963 -0.936 0.00 0.00 C+0 HETATM 59 C UNK 0 -14.685 -2.247 -1.424 0.00 0.00 C+0 HETATM 60 C UNK 0 -15.674 -2.940 -0.582 0.00 0.00 C+0 HETATM 61 N UNK 0 -16.235 -2.533 0.621 0.00 0.00 N+0 HETATM 62 O UNK 0 -15.575 -2.836 1.795 0.00 0.00 O+0 HETATM 63 C UNK 0 -17.472 -1.845 0.755 0.00 0.00 C+0 HETATM 64 O UNK 0 -17.904 -1.560 1.882 0.00 0.00 O+0 HETATM 65 C UNK 0 -13.187 -0.198 0.943 0.00 0.00 C+0 HETATM 66 O UNK 0 -13.203 -0.934 1.982 0.00 0.00 O+0 HETATM 67 N UNK 0 -13.534 1.198 0.963 0.00 0.00 N+0 HETATM 68 C UNK 0 -13.851 2.473 0.986 0.00 0.00 C+0 HETATM 69 C UNK 0 -15.170 2.988 1.426 0.00 0.00 C+0 HETATM 70 C UNK 0 -16.312 2.710 0.521 0.00 0.00 C+0 HETATM 71 C UNK 0 -16.522 1.248 0.252 0.00 0.00 C+0 HETATM 72 N UNK 0 -17.663 1.123 -0.619 0.00 0.00 N+0 HETATM 73 C UNK 0 -5.298 0.907 0.738 0.00 0.00 C+0 HETATM 74 O UNK 0 -4.154 1.700 0.398 0.00 0.00 O+0 HETATM 75 C UNK 0 -6.376 1.865 0.930 0.00 0.00 C+0 HETATM 76 O UNK 0 -6.266 3.070 0.523 0.00 0.00 O+0 HETATM 77 O UNK 0 -7.576 1.572 1.550 0.00 0.00 O+0 HETATM 78 N UNK 0 1.480 3.388 1.542 0.00 0.00 N+0 HETATM 79 C UNK 0 1.100 4.683 1.968 0.00 0.00 C+0 HETATM 80 O UNK 0 1.813 5.376 2.689 0.00 0.00 O+0 HETATM 81 C UNK 0 5.878 2.543 -1.526 0.00 0.00 C+0 HETATM 82 O UNK 0 6.857 2.994 -2.403 0.00 0.00 O+0 HETATM 83 C UNK 0 5.886 1.094 -1.462 0.00 0.00 C+0 HETATM 84 O UNK 0 6.620 0.421 -2.257 0.00 0.00 O+0 HETATM 85 O UNK 0 5.128 0.413 -0.567 0.00 0.00 O+0 HETATM 86 H UNK 0 16.984 -4.504 -1.550 0.00 0.00 H+0 HETATM 87 H UNK 0 18.528 -3.838 -1.240 0.00 0.00 H+0 HETATM 88 H UNK 0 17.415 -4.389 0.860 0.00 0.00 H+0 HETATM 89 H UNK 0 17.861 -2.674 0.634 0.00 0.00 H+0 HETATM 90 H UNK 0 15.598 -2.789 1.554 0.00 0.00 H+0 HETATM 91 H UNK 0 15.764 -2.019 -0.056 0.00 0.00 H+0 HETATM 92 H UNK 0 15.066 -4.174 -1.161 0.00 0.00 H+0 HETATM 93 H UNK 0 15.100 -4.983 0.414 0.00 0.00 H+0 HETATM 94 H UNK 0 12.872 -4.691 -0.424 0.00 0.00 H+0 HETATM 95 H UNK 0 13.041 -3.866 1.133 0.00 0.00 H+0 HETATM 96 H UNK 0 12.275 -2.755 -1.409 0.00 0.00 H+0 HETATM 97 H UNK 0 11.683 -0.506 -1.615 0.00 0.00 H+0 HETATM 98 H UNK 0 13.932 0.096 -2.346 0.00 0.00 H+0 HETATM 99 H UNK 0 12.805 1.476 -2.068 0.00 0.00 H+0 HETATM 100 H UNK 0 14.922 0.591 -0.071 0.00 0.00 H+0 HETATM 101 H UNK 0 13.912 2.043 0.064 0.00 0.00 H+0 HETATM 102 H UNK 0 15.908 1.554 -2.130 0.00 0.00 H+0 HETATM 103 H UNK 0 14.818 2.972 -2.042 0.00 0.00 H+0 HETATM 104 H UNK 0 15.516 4.564 -0.672 0.00 0.00 H+0 HETATM 105 H UNK 0 17.640 1.179 -0.518 0.00 0.00 H+0 HETATM 106 H UNK 0 12.282 0.948 1.014 0.00 0.00 H+0 HETATM 107 H UNK 0 10.069 2.828 1.204 0.00 0.00 H+0 HETATM 108 H UNK 0 10.152 0.723 2.251 0.00 0.00 H+0 HETATM 109 H UNK 0 8.585 1.544 2.496 0.00 0.00 H+0 HETATM 110 H UNK 0 7.698 0.176 0.861 0.00 0.00 H+0 HETATM 111 H UNK 0 8.375 2.031 -1.071 0.00 0.00 H+0 HETATM 112 H UNK 0 5.925 4.330 -0.418 0.00 0.00 H+0 HETATM 113 H UNK 0 5.276 2.021 1.319 0.00 0.00 H+0 HETATM 114 H UNK 0 3.171 3.011 2.799 0.00 0.00 H+0 HETATM 115 H UNK 0 3.882 0.996 1.689 0.00 0.00 H+0 HETATM 116 H UNK 0 2.763 1.219 0.355 0.00 0.00 H+0 HETATM 117 H UNK 0 2.408 0.034 3.185 0.00 0.00 H+0 HETATM 118 H UNK 0 2.345 -0.763 1.638 0.00 0.00 H+0 HETATM 119 H UNK 0 0.253 -0.799 2.657 0.00 0.00 H+0 HETATM 120 H UNK 0 0.084 0.934 2.820 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.987 0.542 -0.691 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.691 1.188 -1.668 0.00 0.00 H+0 HETATM 123 H UNK 0 -0.315 -0.710 -2.956 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.018 -0.301 -3.068 0.00 0.00 H+0 HETATM 125 H UNK 0 -1.747 -2.624 -3.156 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.562 -2.675 -1.849 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.244 -2.533 -0.134 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.450 -4.423 -2.099 0.00 0.00 H+0 HETATM 129 H UNK 0 -2.273 -6.045 -0.667 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.558 -0.824 0.489 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.511 0.299 -1.329 0.00 0.00 H+0 HETATM 132 H UNK 0 -8.194 0.239 -0.514 0.00 0.00 H+0 HETATM 133 H UNK 0 -8.694 -2.677 -0.479 0.00 0.00 H+0 HETATM 134 H UNK 0 -9.713 -2.788 1.619 0.00 0.00 H+0 HETATM 135 H UNK 0 -8.052 -2.180 1.731 0.00 0.00 H+0 HETATM 136 H UNK 0 -9.782 -0.068 1.457 0.00 0.00 H+0 HETATM 137 H UNK 0 -11.383 -1.884 0.980 0.00 0.00 H+0 HETATM 138 H UNK 0 -12.499 -0.067 -1.095 0.00 0.00 H+0 HETATM 139 H UNK 0 -12.614 -2.178 -1.858 0.00 0.00 H+0 HETATM 140 H UNK 0 -13.000 -2.963 -0.349 0.00 0.00 H+0 HETATM 141 H UNK 0 -14.590 -2.838 -2.404 0.00 0.00 H+0 HETATM 142 H UNK 0 -15.123 -1.276 -1.840 0.00 0.00 H+0 HETATM 143 H UNK 0 -16.570 -3.210 -1.276 0.00 0.00 H+0 HETATM 144 H UNK 0 -15.255 -4.030 -0.467 0.00 0.00 H+0 HETATM 145 H UNK 0 -16.013 -2.361 2.539 0.00 0.00 H+0 HETATM 146 H UNK 0 -18.020 -1.584 -0.118 0.00 0.00 H+0 HETATM 147 H UNK 0 -13.759 1.115 2.311 0.00 0.00 H+0 HETATM 148 H UNK 0 -13.078 3.151 1.559 0.00 0.00 H+0 HETATM 149 H UNK 0 -13.688 3.004 -0.071 0.00 0.00 H+0 HETATM 150 H UNK 0 -15.105 4.072 1.730 0.00 0.00 H+0 HETATM 151 H UNK 0 -15.400 2.465 2.406 0.00 0.00 H+0 HETATM 152 H UNK 0 -17.261 3.065 1.040 0.00 0.00 H+0 HETATM 153 H UNK 0 -16.241 3.297 -0.401 0.00 0.00 H+0 HETATM 154 H UNK 0 -15.671 0.767 -0.270 0.00 0.00 H+0 HETATM 155 H UNK 0 -16.764 0.763 1.226 0.00 0.00 H+0 HETATM 156 H UNK 0 -17.875 2.034 -1.111 0.00 0.00 H+0 HETATM 157 H UNK 0 -18.533 0.754 -0.138 0.00 0.00 H+0 HETATM 158 H UNK 0 -5.053 0.410 1.724 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.776 2.108 1.217 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.411 2.092 1.369 0.00 0.00 H+0 HETATM 161 H UNK 0 0.783 2.867 0.924 0.00 0.00 H+0 HETATM 162 H UNK 0 0.127 5.091 1.648 0.00 0.00 H+0 HETATM 163 H UNK 0 4.899 2.914 -2.002 0.00 0.00 H+0 HETATM 164 H UNK 0 6.553 3.031 -3.343 0.00 0.00 H+0 HETATM 165 H UNK 0 4.818 -0.519 -0.717 0.00 0.00 H+0 CONECT 1 2 86 87 CONECT 2 1 3 88 89 CONECT 3 2 4 90 91 CONECT 4 3 5 92 93 CONECT 5 4 6 94 95 CONECT 6 5 7 96 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 17 97 CONECT 10 9 11 98 99 CONECT 11 10 12 100 101 CONECT 12 11 13 102 103 CONECT 13 12 14 15 CONECT 14 13 104 CONECT 15 13 16 105 CONECT 16 15 CONECT 17 9 18 106 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 23 107 CONECT 21 20 22 108 109 CONECT 22 21 110 CONECT 23 20 24 111 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 81 112 CONECT 27 26 28 113 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 78 114 CONECT 31 30 32 115 116 CONECT 32 31 33 117 118 CONECT 33 32 34 119 120 CONECT 34 33 35 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 121 122 CONECT 38 37 39 123 124 CONECT 39 38 40 125 126 CONECT 40 39 41 44 127 CONECT 41 40 42 128 CONECT 42 41 43 129 CONECT 43 42 CONECT 44 40 45 46 CONECT 45 44 CONECT 46 44 47 130 CONECT 47 46 48 73 131 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 132 CONECT 51 50 52 54 133 CONECT 52 51 53 134 135 CONECT 53 52 136 CONECT 54 51 55 56 CONECT 55 54 CONECT 56 54 57 137 CONECT 57 56 58 65 138 CONECT 58 57 59 139 140 CONECT 59 58 60 141 142 CONECT 60 59 61 143 144 CONECT 61 60 62 63 CONECT 62 61 145 CONECT 63 61 64 146 CONECT 64 63 CONECT 65 57 66 67 CONECT 66 65 CONECT 67 65 68 147 CONECT 68 67 69 148 149 CONECT 69 68 70 150 151 CONECT 70 69 71 152 153 CONECT 71 70 72 154 155 CONECT 72 71 156 157 CONECT 73 47 74 75 158 CONECT 74 73 159 CONECT 75 73 76 77 CONECT 76 75 CONECT 77 75 160 CONECT 78 30 79 161 CONECT 79 78 80 162 CONECT 80 79 CONECT 81 26 82 83 163 CONECT 82 81 164 CONECT 83 81 84 85 CONECT 84 83 CONECT 85 83 165 CONECT 86 1 CONECT 87 1 CONECT 88 2 CONECT 89 2 CONECT 90 3 CONECT 91 3 CONECT 92 4 CONECT 93 4 CONECT 94 5 CONECT 95 5 CONECT 96 6 CONECT 97 9 CONECT 98 10 CONECT 99 10 CONECT 100 11 CONECT 101 11 CONECT 102 12 CONECT 103 12 CONECT 104 14 CONECT 105 15 CONECT 106 17 CONECT 107 20 CONECT 108 21 CONECT 109 21 CONECT 110 22 CONECT 111 23 CONECT 112 26 CONECT 113 27 CONECT 114 30 CONECT 115 31 CONECT 116 31 CONECT 117 32 CONECT 118 32 CONECT 119 33 CONECT 120 33 CONECT 121 37 CONECT 122 37 CONECT 123 38 CONECT 124 38 CONECT 125 39 CONECT 126 39 CONECT 127 40 CONECT 128 41 CONECT 129 42 CONECT 130 46 CONECT 131 47 CONECT 132 50 CONECT 133 51 CONECT 134 52 CONECT 135 52 CONECT 136 53 CONECT 137 56 CONECT 138 57 CONECT 139 58 CONECT 140 58 CONECT 141 59 CONECT 142 59 CONECT 143 60 CONECT 144 60 CONECT 145 62 CONECT 146 63 CONECT 147 67 CONECT 148 68 CONECT 149 68 CONECT 150 69 CONECT 151 69 CONECT 152 70 CONECT 153 70 CONECT 154 71 CONECT 155 71 CONECT 156 72 CONECT 157 72 CONECT 158 73 CONECT 159 74 CONECT 160 77 CONECT 161 78 CONECT 162 79 CONECT 163 81 CONECT 164 82 CONECT 165 85 MASTER 0 0 0 0 0 0 0 0 165 0 328 0 END