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 -3.897 -5.942 -3.133 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.777 -6.191 -1.954 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.358 -4.973 -1.325 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.221 -4.159 -2.263 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.916 -3.131 -1.440 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.964 -2.409 -0.502 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.850 -1.759 0.537 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.098 -1.260 1.704 0.00 0.00 C+0 HETATM 9 O UNK 0 -6.031 -2.131 2.793 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.753 -2.323 3.247 0.00 0.00 C+0 HETATM 11 C UNK 0 -6.715 0.048 2.192 0.00 0.00 C+0 HETATM 12 C UNK 0 -8.170 0.175 2.041 0.00 0.00 C+0 HETATM 13 C UNK 0 -5.965 0.991 2.721 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.611 1.253 2.259 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.296 1.273 0.981 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.247 1.580 -0.074 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.042 2.615 0.033 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.568 3.959 0.529 0.00 0.00 C+0 HETATM 19 C UNK 0 -6.160 4.343 1.840 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.178 4.277 0.228 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.287 4.982 1.139 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.402 4.833 2.611 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.880 4.629 0.783 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.647 3.477 0.480 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.746 5.578 0.772 0.00 0.00 C+0 HETATM 26 O UNK 0 -1.213 6.836 0.495 0.00 0.00 O+0 HETATM 27 C UNK 0 -1.040 7.768 1.488 0.00 0.00 C+0 HETATM 28 C UNK 0 0.255 5.086 -0.285 0.00 0.00 C+0 HETATM 29 O UNK 0 0.862 6.241 -0.775 0.00 0.00 O+0 HETATM 30 C UNK 0 -0.449 4.431 -1.415 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.559 5.139 -2.104 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.069 3.229 -1.786 0.00 0.00 C+0 HETATM 33 C UNK 0 1.337 2.813 -1.824 0.00 0.00 C+0 HETATM 34 C UNK 0 2.320 3.918 -2.132 0.00 0.00 C+0 HETATM 35 C UNK 0 1.780 1.968 -0.692 0.00 0.00 C+0 HETATM 36 O UNK 0 2.741 2.389 -0.037 0.00 0.00 O+0 HETATM 37 C UNK 0 1.172 0.702 -0.311 0.00 0.00 C+0 HETATM 38 C UNK 0 0.977 -0.282 -1.442 0.00 0.00 C+0 HETATM 39 C UNK 0 2.305 -0.676 -2.084 0.00 0.00 C+0 HETATM 40 C UNK 0 2.031 -1.670 -3.224 0.00 0.00 C+0 HETATM 41 C UNK 0 3.130 -1.397 -1.084 0.00 0.00 C+0 HETATM 42 C UNK 0 4.476 -1.839 -1.578 0.00 0.00 C+0 HETATM 43 C UNK 0 5.172 -2.564 -0.428 0.00 0.00 C+0 HETATM 44 C UNK 0 5.676 -1.605 0.602 0.00 0.00 C+0 HETATM 45 C UNK 0 6.620 -0.597 -0.020 0.00 0.00 C+0 HETATM 46 O UNK 0 7.869 -0.580 0.646 0.00 0.00 O+0 HETATM 47 C UNK 0 8.399 0.513 1.287 0.00 0.00 C+0 HETATM 48 O UNK 0 7.760 1.577 1.298 0.00 0.00 O+0 HETATM 49 C UNK 0 9.709 0.407 1.947 0.00 0.00 C+0 HETATM 50 C UNK 0 9.642 -0.657 3.025 0.00 0.00 C+0 HETATM 51 C UNK 0 10.098 1.726 2.603 0.00 0.00 C+0 HETATM 52 O UNK 0 9.158 2.103 3.569 0.00 0.00 O+0 HETATM 53 C UNK 0 10.823 0.023 0.999 0.00 0.00 C+0 HETATM 54 O UNK 0 11.995 -0.043 1.730 0.00 0.00 O+0 HETATM 55 C UNK 0 6.742 -0.876 -1.496 0.00 0.00 C+0 HETATM 56 O UNK 0 7.592 0.088 -2.030 0.00 0.00 O+0 HETATM 57 C UNK 0 8.711 -0.431 -2.632 0.00 0.00 C+0 HETATM 58 C UNK 0 5.348 -0.770 -2.097 0.00 0.00 C+0 HETATM 59 O UNK 0 0.143 -1.319 -1.177 0.00 0.00 O+0 HETATM 60 C UNK 0 -0.907 -1.693 -0.458 0.00 0.00 C+0 HETATM 61 O UNK 0 -2.086 -1.172 -0.407 0.00 0.00 O+0 HETATM 62 C UNK 0 -0.822 -2.880 0.460 0.00 0.00 C+0 HETATM 63 C UNK 0 0.473 -2.889 1.233 0.00 0.00 C+0 HETATM 64 C UNK 0 1.299 -4.109 1.086 0.00 0.00 C+0 HETATM 65 C UNK 0 1.297 -4.815 -0.216 0.00 0.00 C+0 HETATM 66 C UNK 0 0.176 -4.431 -1.146 0.00 0.00 C+0 HETATM 67 N UNK 0 -0.955 -4.129 -0.250 0.00 0.00 N+0 HETATM 68 C UNK 0 -1.986 -5.082 -0.158 0.00 0.00 C+0 HETATM 69 O UNK 0 -1.618 -6.331 -0.299 0.00 0.00 O+0 HETATM 70 C UNK 0 -3.393 -4.847 0.074 0.00 0.00 C+0 HETATM 71 O UNK 0 -3.914 -5.413 1.098 0.00 0.00 O+0 HETATM 72 C UNK 0 -4.318 -4.024 -0.740 0.00 0.00 C+0 HETATM 73 O UNK 0 -3.665 -3.387 -1.774 0.00 0.00 O+0 HETATM 74 O UNK 0 -5.023 -3.173 0.096 0.00 0.00 O+0 HETATM 75 H UNK 0 -2.865 -6.183 -2.857 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.150 -6.636 -3.987 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.966 -4.934 -3.553 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.643 -6.806 -2.310 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.300 -6.807 -1.164 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.008 -5.299 -0.488 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.632 -3.658 -3.047 0.00 0.00 H+0 HETATM 82 H UNK 0 -7.003 -4.805 -2.723 0.00 0.00 H+0 HETATM 83 H UNK 0 -7.721 -3.565 -0.791 0.00 0.00 H+0 HETATM 84 H UNK 0 -7.394 -2.338 -2.062 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.496 -1.569 -1.079 0.00 0.00 H+0 HETATM 86 H UNK 0 -7.646 -2.451 0.885 0.00 0.00 H+0 HETATM 87 H UNK 0 -7.383 -0.909 0.062 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.070 -0.984 1.436 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.349 -1.316 3.567 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.018 -2.707 2.535 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.699 -2.990 4.133 0.00 0.00 H+0 HETATM 92 H UNK 0 -8.632 -0.825 2.075 0.00 0.00 H+0 HETATM 93 H UNK 0 -8.374 0.589 1.025 0.00 0.00 H+0 HETATM 94 H UNK 0 -8.583 0.824 2.841 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.412 1.575 3.535 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.824 1.448 2.971 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.264 1.028 0.747 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.302 0.945 -0.981 0.00 0.00 H+0 HETATM 99 H UNK 0 -7.094 2.452 -0.269 0.00 0.00 H+0 HETATM 100 H UNK 0 -6.189 4.629 -0.173 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.218 5.453 1.907 0.00 0.00 H+0 HETATM 102 H UNK 0 -5.805 3.856 2.730 0.00 0.00 H+0 HETATM 103 H UNK 0 -7.255 4.045 1.766 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.657 3.326 -0.116 0.00 0.00 H+0 HETATM 105 H UNK 0 -4.093 4.855 -0.759 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.348 6.097 0.942 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.424 5.234 3.036 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.439 3.807 2.992 0.00 0.00 H+0 HETATM 109 H UNK 0 -4.143 5.529 3.092 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.279 5.515 1.801 0.00 0.00 H+0 HETATM 111 H UNK 0 0.008 7.950 1.774 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.566 8.702 1.140 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.582 7.476 2.414 0.00 0.00 H+0 HETATM 114 H UNK 0 0.948 4.448 0.249 0.00 0.00 H+0 HETATM 115 H UNK 0 1.421 6.694 -0.091 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.185 5.583 -3.062 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.994 5.926 -1.490 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.335 4.374 -2.368 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.876 2.527 -2.080 0.00 0.00 H+0 HETATM 120 H UNK 0 1.408 2.138 -2.737 0.00 0.00 H+0 HETATM 121 H UNK 0 1.846 4.669 -2.796 0.00 0.00 H+0 HETATM 122 H UNK 0 3.189 3.522 -2.741 0.00 0.00 H+0 HETATM 123 H UNK 0 2.808 4.349 -1.236 0.00 0.00 H+0 HETATM 124 H UNK 0 0.132 0.938 0.038 0.00 0.00 H+0 HETATM 125 H UNK 0 1.674 0.254 0.543 0.00 0.00 H+0 HETATM 126 H UNK 0 0.499 0.366 -2.264 0.00 0.00 H+0 HETATM 127 H UNK 0 2.771 0.237 -2.456 0.00 0.00 H+0 HETATM 128 H UNK 0 0.941 -1.648 -3.424 0.00 0.00 H+0 HETATM 129 H UNK 0 2.304 -2.693 -2.952 0.00 0.00 H+0 HETATM 130 H UNK 0 2.524 -1.313 -4.154 0.00 0.00 H+0 HETATM 131 H UNK 0 2.541 -2.274 -0.751 0.00 0.00 H+0 HETATM 132 H UNK 0 3.261 -0.748 -0.196 0.00 0.00 H+0 HETATM 133 H UNK 0 4.319 -2.602 -2.367 0.00 0.00 H+0 HETATM 134 H UNK 0 4.373 -3.193 0.044 0.00 0.00 H+0 HETATM 135 H UNK 0 5.944 -3.263 -0.795 0.00 0.00 H+0 HETATM 136 H UNK 0 4.824 -1.080 1.069 0.00 0.00 H+0 HETATM 137 H UNK 0 6.199 -2.197 1.379 0.00 0.00 H+0 HETATM 138 H UNK 0 6.192 0.422 0.093 0.00 0.00 H+0 HETATM 139 H UNK 0 10.512 -0.548 3.670 0.00 0.00 H+0 HETATM 140 H UNK 0 8.731 -0.489 3.663 0.00 0.00 H+0 HETATM 141 H UNK 0 9.657 -1.679 2.597 0.00 0.00 H+0 HETATM 142 H UNK 0 11.052 1.562 3.143 0.00 0.00 H+0 HETATM 143 H UNK 0 10.238 2.506 1.836 0.00 0.00 H+0 HETATM 144 H UNK 0 9.131 1.419 4.258 0.00 0.00 H+0 HETATM 145 H UNK 0 10.586 -0.965 0.535 0.00 0.00 H+0 HETATM 146 H UNK 0 10.918 0.821 0.243 0.00 0.00 H+0 HETATM 147 H UNK 0 12.416 0.855 1.806 0.00 0.00 H+0 HETATM 148 H UNK 0 7.214 -1.857 -1.707 0.00 0.00 H+0 HETATM 149 H UNK 0 9.358 -1.031 -1.944 0.00 0.00 H+0 HETATM 150 H UNK 0 9.338 0.433 -2.948 0.00 0.00 H+0 HETATM 151 H UNK 0 8.495 -0.999 -3.576 0.00 0.00 H+0 HETATM 152 H UNK 0 5.000 0.260 -1.918 0.00 0.00 H+0 HETATM 153 H UNK 0 5.509 -0.837 -3.214 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.645 -2.852 1.211 0.00 0.00 H+0 HETATM 155 H UNK 0 1.041 -1.986 1.026 0.00 0.00 H+0 HETATM 156 H UNK 0 0.212 -2.810 2.334 0.00 0.00 H+0 HETATM 157 H UNK 0 2.365 -3.957 1.383 0.00 0.00 H+0 HETATM 158 H UNK 0 0.929 -4.860 1.853 0.00 0.00 H+0 HETATM 159 H UNK 0 1.219 -5.935 -0.099 0.00 0.00 H+0 HETATM 160 H UNK 0 2.260 -4.627 -0.755 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.021 -5.258 -1.825 0.00 0.00 H+0 HETATM 162 H UNK 0 0.409 -3.552 -1.762 0.00 0.00 H+0 HETATM 163 H UNK 0 -4.130 -2.611 -2.152 0.00 0.00 H+0 CONECT 1 2 75 76 77 CONECT 2 1 3 78 79 CONECT 3 2 4 72 80 CONECT 4 3 5 81 82 CONECT 5 4 6 83 84 CONECT 6 5 7 74 85 CONECT 7 6 8 86 87 CONECT 8 7 9 11 88 CONECT 9 8 10 CONECT 10 9 89 90 91 CONECT 11 8 12 13 CONECT 12 11 92 93 94 CONECT 13 11 14 95 CONECT 14 13 15 96 CONECT 15 14 16 97 CONECT 16 15 17 98 CONECT 17 16 18 99 CONECT 18 17 19 20 100 CONECT 19 18 101 102 103 CONECT 20 18 21 104 105 CONECT 21 20 22 23 106 CONECT 22 21 107 108 109 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 28 110 CONECT 26 25 27 CONECT 27 26 111 112 113 CONECT 28 25 29 30 114 CONECT 29 28 115 CONECT 30 28 31 32 CONECT 31 30 116 117 118 CONECT 32 30 33 119 CONECT 33 32 34 35 120 CONECT 34 33 121 122 123 CONECT 35 33 36 37 CONECT 36 35 CONECT 37 35 38 124 125 CONECT 38 37 39 59 126 CONECT 39 38 40 41 127 CONECT 40 39 128 129 130 CONECT 41 39 42 131 132 CONECT 42 41 43 58 133 CONECT 43 42 44 134 135 CONECT 44 43 45 136 137 CONECT 45 44 46 55 138 CONECT 46 45 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 51 53 CONECT 50 49 139 140 141 CONECT 51 49 52 142 143 CONECT 52 51 144 CONECT 53 49 54 145 146 CONECT 54 53 147 CONECT 55 45 56 58 148 CONECT 56 55 57 CONECT 57 56 149 150 151 CONECT 58 55 42 152 153 CONECT 59 38 60 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 63 67 154 CONECT 63 62 64 155 156 CONECT 64 63 65 157 158 CONECT 65 64 66 159 160 CONECT 66 65 67 161 162 CONECT 67 66 68 62 CONECT 68 67 69 70 CONECT 69 68 CONECT 70 68 71 72 CONECT 71 70 CONECT 72 70 73 74 3 CONECT 73 72 163 CONECT 74 72 6 CONECT 75 1 CONECT 76 1 CONECT 77 1 CONECT 78 2 CONECT 79 2 CONECT 80 3 CONECT 81 4 CONECT 82 4 CONECT 83 5 CONECT 84 5 CONECT 85 6 CONECT 86 7 CONECT 87 7 CONECT 88 8 CONECT 89 10 CONECT 90 10 CONECT 91 10 CONECT 92 12 CONECT 93 12 CONECT 94 12 CONECT 95 13 CONECT 96 14 CONECT 97 15 CONECT 98 16 CONECT 99 17 CONECT 100 18 CONECT 101 19 CONECT 102 19 CONECT 103 19 CONECT 104 20 CONECT 105 20 CONECT 106 21 CONECT 107 22 CONECT 108 22 CONECT 109 22 CONECT 110 25 CONECT 111 27 CONECT 112 27 CONECT 113 27 CONECT 114 28 CONECT 115 29 CONECT 116 31 CONECT 117 31 CONECT 118 31 CONECT 119 32 CONECT 120 33 CONECT 121 34 CONECT 122 34 CONECT 123 34 CONECT 124 37 CONECT 125 37 CONECT 126 38 CONECT 127 39 CONECT 128 40 CONECT 129 40 CONECT 130 40 CONECT 131 41 CONECT 132 41 CONECT 133 42 CONECT 134 43 CONECT 135 43 CONECT 136 44 CONECT 137 44 CONECT 138 45 CONECT 139 50 CONECT 140 50 CONECT 141 50 CONECT 142 51 CONECT 143 51 CONECT 144 52 CONECT 145 53 CONECT 146 53 CONECT 147 54 CONECT 148 55 CONECT 149 57 CONECT 150 57 CONECT 151 57 CONECT 152 58 CONECT 153 58 CONECT 154 62 CONECT 155 63 CONECT 156 63 CONECT 157 64 CONECT 158 64 CONECT 159 65 CONECT 160 65 CONECT 161 66 CONECT 162 66 CONECT 163 73 MASTER 0 0 0 0 0 0 0 0 163 0 332 0 END