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 -19.010 0.660 -0.165 0.00 0.00 C+0 HETATM 2 C UNK 0 -17.562 0.329 -0.419 0.00 0.00 C+0 HETATM 3 C UNK 0 -17.043 0.461 -1.664 0.00 0.00 C+0 HETATM 4 C UNK 0 -15.677 0.130 -1.953 0.00 0.00 C+0 HETATM 5 O UNK 0 -15.383 0.320 -3.226 0.00 0.00 O+0 HETATM 6 C UNK 0 -14.924 -0.318 -0.914 0.00 0.00 C+0 HETATM 7 C UNK 0 -15.469 -0.452 0.379 0.00 0.00 C+0 HETATM 8 C UNK 0 -16.802 -0.119 0.596 0.00 0.00 C+0 HETATM 9 C UNK 0 -14.597 -0.910 1.476 0.00 0.00 C+0 HETATM 10 C UNK 0 -13.490 -1.835 1.046 0.00 0.00 C+0 HETATM 11 O UNK 0 -13.905 -3.129 0.752 0.00 0.00 O+0 HETATM 12 C UNK 0 -12.814 -1.252 -0.160 0.00 0.00 C+0 HETATM 13 C UNK 0 -13.531 -0.729 -1.175 0.00 0.00 C+0 HETATM 14 C UNK 0 -12.837 -0.291 -2.363 0.00 0.00 C+0 HETATM 15 O UNK 0 -13.352 0.192 -3.333 0.00 0.00 O+0 HETATM 16 C UNK 0 -11.390 -0.408 -2.436 0.00 0.00 C+0 HETATM 17 C UNK 0 -10.713 0.025 -3.553 0.00 0.00 C+0 HETATM 18 O UNK 0 -11.413 0.535 -4.615 0.00 0.00 O+0 HETATM 19 C UNK 0 -9.335 -0.056 -3.625 0.00 0.00 C+0 HETATM 20 C UNK 0 -8.643 -0.574 -2.572 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.294 -1.000 -1.474 0.00 0.00 C+0 HETATM 22 O UNK 0 -8.654 -1.512 -0.377 0.00 0.00 O+0 HETATM 23 C UNK 0 -7.240 -1.485 -0.326 0.00 0.00 C+0 HETATM 24 C UNK 0 -6.877 -0.060 0.202 0.00 0.00 C+0 HETATM 25 C UNK 0 -6.652 -0.180 1.689 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.716 -0.937 2.241 0.00 0.00 O+0 HETATM 27 C UNK 0 -5.386 -1.001 1.927 0.00 0.00 C+0 HETATM 28 O UNK 0 -4.255 -0.209 1.768 0.00 0.00 O+0 HETATM 29 C UNK 0 -3.540 -0.007 2.938 0.00 0.00 C+0 HETATM 30 C UNK 0 -2.102 -0.436 2.906 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.194 0.741 2.801 0.00 0.00 C+0 HETATM 32 O UNK 0 0.116 0.455 2.446 0.00 0.00 O+0 HETATM 33 C UNK 0 0.990 1.156 3.328 0.00 0.00 C+0 HETATM 34 C UNK 0 2.080 0.246 3.775 0.00 0.00 C+0 HETATM 35 C UNK 0 3.437 0.878 3.414 0.00 0.00 C+0 HETATM 36 C UNK 0 3.537 0.951 1.900 0.00 0.00 C+0 HETATM 37 O UNK 0 4.585 1.682 1.421 0.00 0.00 O+0 HETATM 38 C UNK 0 5.456 0.904 0.661 0.00 0.00 C+0 HETATM 39 C UNK 0 5.323 1.169 -0.833 0.00 0.00 C+0 HETATM 40 C UNK 0 6.484 0.441 -1.499 0.00 0.00 C+0 HETATM 41 O UNK 0 6.301 0.474 -2.860 0.00 0.00 O+0 HETATM 42 C UNK 0 7.768 1.135 -1.097 0.00 0.00 C+0 HETATM 43 O UNK 0 8.870 0.373 -1.029 0.00 0.00 O+0 HETATM 44 C UNK 0 9.912 0.640 -1.898 0.00 0.00 C+0 HETATM 45 C UNK 0 11.209 0.904 -1.193 0.00 0.00 C+0 HETATM 46 C UNK 0 12.036 -0.368 -1.152 0.00 0.00 C+0 HETATM 47 O UNK 0 13.121 -0.242 -0.298 0.00 0.00 O+0 HETATM 48 C UNK 0 14.286 -0.472 -1.041 0.00 0.00 C+0 HETATM 49 C UNK 0 15.153 0.774 -1.127 0.00 0.00 C+0 HETATM 50 C UNK 0 16.441 0.356 -1.824 0.00 0.00 C+0 HETATM 51 C UNK 0 17.164 -0.670 -1.015 0.00 0.00 C+0 HETATM 52 O UNK 0 17.750 -1.642 -1.826 0.00 0.00 O+0 HETATM 53 C UNK 0 16.197 -1.227 0.005 0.00 0.00 C+0 HETATM 54 C UNK 0 16.747 -2.501 0.623 0.00 0.00 C+0 HETATM 55 O UNK 0 14.974 -1.540 -0.537 0.00 0.00 O+0 HETATM 56 C UNK 0 11.058 -1.444 -0.706 0.00 0.00 C+0 HETATM 57 O UNK 0 11.643 -2.583 -0.248 0.00 0.00 O+0 HETATM 58 C UNK 0 10.196 -1.663 -1.960 0.00 0.00 C+0 HETATM 59 C UNK 0 8.884 -2.219 -1.544 0.00 0.00 C+0 HETATM 60 O UNK 0 10.075 -0.489 -2.704 0.00 0.00 O+0 HETATM 61 C UNK 0 7.558 1.836 0.248 0.00 0.00 C+0 HETATM 62 C UNK 0 7.159 3.270 0.084 0.00 0.00 C+0 HETATM 63 O UNK 0 6.728 1.103 1.053 0.00 0.00 O+0 HETATM 64 C UNK 0 2.213 1.575 1.451 0.00 0.00 C+0 HETATM 65 C UNK 0 2.438 2.514 0.321 0.00 0.00 C+0 HETATM 66 O UNK 0 1.568 2.162 2.490 0.00 0.00 O+0 HETATM 67 C UNK 0 -1.794 1.678 1.728 0.00 0.00 C+0 HETATM 68 O UNK 0 -0.935 2.717 1.413 0.00 0.00 O+0 HETATM 69 C UNK 0 -3.151 2.165 2.218 0.00 0.00 C+0 HETATM 70 C UNK 0 -4.099 2.367 1.070 0.00 0.00 C+0 HETATM 71 O UNK 0 -3.612 1.337 3.238 0.00 0.00 O+0 HETATM 72 C UNK 0 -5.396 -2.042 0.840 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.640 -3.289 1.215 0.00 0.00 C+0 HETATM 74 O UNK 0 -6.736 -2.422 0.545 0.00 0.00 O+0 HETATM 75 C UNK 0 -10.676 -0.923 -1.395 0.00 0.00 C+0 HETATM 76 C UNK 0 -11.379 -1.367 -0.211 0.00 0.00 C+0 HETATM 77 O UNK 0 -10.707 -1.826 0.740 0.00 0.00 O+0 HETATM 78 H UNK 0 -19.244 1.587 -0.679 0.00 0.00 H+0 HETATM 79 H UNK 0 -19.224 0.604 0.915 0.00 0.00 H+0 HETATM 80 H UNK 0 -19.590 -0.199 -0.638 0.00 0.00 H+0 HETATM 81 H UNK 0 -17.679 0.819 -2.435 0.00 0.00 H+0 HETATM 82 H UNK 0 -15.136 0.441 -4.075 0.00 0.00 H+0 HETATM 83 H UNK 0 -17.141 -0.253 1.615 0.00 0.00 H+0 HETATM 84 H UNK 0 -14.161 -0.040 2.031 0.00 0.00 H+0 HETATM 85 H UNK 0 -15.247 -1.455 2.178 0.00 0.00 H+0 HETATM 86 H UNK 0 -12.738 -1.882 1.862 0.00 0.00 H+0 HETATM 87 H UNK 0 -14.474 -3.545 1.427 0.00 0.00 H+0 HETATM 88 H UNK 0 -10.937 0.848 -5.441 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.815 0.293 -4.501 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.558 -0.639 -2.665 0.00 0.00 H+0 HETATM 91 H UNK 0 -6.745 -1.553 -1.308 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.990 0.273 -0.310 0.00 0.00 H+0 HETATM 93 H UNK 0 -7.785 0.582 0.099 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.664 0.795 2.165 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.429 -1.168 3.161 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.510 -1.434 2.895 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.057 -0.562 3.763 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.911 -1.169 2.056 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.820 -1.013 3.820 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.211 1.327 3.729 0.00 0.00 H+0 HETATM 101 H UNK 0 0.453 1.673 4.137 0.00 0.00 H+0 HETATM 102 H UNK 0 2.064 -0.741 3.263 0.00 0.00 H+0 HETATM 103 H UNK 0 2.029 0.071 4.871 0.00 0.00 H+0 HETATM 104 H UNK 0 4.221 0.226 3.813 0.00 0.00 H+0 HETATM 105 H UNK 0 3.455 1.848 3.915 0.00 0.00 H+0 HETATM 106 H UNK 0 3.613 -0.067 1.507 0.00 0.00 H+0 HETATM 107 H UNK 0 5.059 -0.154 0.765 0.00 0.00 H+0 HETATM 108 H UNK 0 4.355 0.667 -1.200 0.00 0.00 H+0 HETATM 109 H UNK 0 5.215 2.202 -1.117 0.00 0.00 H+0 HETATM 110 H UNK 0 6.430 -0.591 -1.145 0.00 0.00 H+0 HETATM 111 H UNK 0 7.035 0.972 -3.331 0.00 0.00 H+0 HETATM 112 H UNK 0 7.909 1.960 -1.849 0.00 0.00 H+0 HETATM 113 H UNK 0 9.645 1.470 -2.545 0.00 0.00 H+0 HETATM 114 H UNK 0 11.098 1.172 -0.122 0.00 0.00 H+0 HETATM 115 H UNK 0 11.850 1.675 -1.661 0.00 0.00 H+0 HETATM 116 H UNK 0 12.377 -0.609 -2.158 0.00 0.00 H+0 HETATM 117 H UNK 0 14.053 -0.699 -2.126 0.00 0.00 H+0 HETATM 118 H UNK 0 15.362 1.211 -0.168 0.00 0.00 H+0 HETATM 119 H UNK 0 14.644 1.503 -1.829 0.00 0.00 H+0 HETATM 120 H UNK 0 17.047 1.181 -2.181 0.00 0.00 H+0 HETATM 121 H UNK 0 16.046 -0.204 -2.732 0.00 0.00 H+0 HETATM 122 H UNK 0 17.983 -0.167 -0.458 0.00 0.00 H+0 HETATM 123 H UNK 0 17.132 -2.346 -2.102 0.00 0.00 H+0 HETATM 124 H UNK 0 16.073 -0.474 0.781 0.00 0.00 H+0 HETATM 125 H UNK 0 17.692 -2.836 0.148 0.00 0.00 H+0 HETATM 126 H UNK 0 16.019 -3.317 0.659 0.00 0.00 H+0 HETATM 127 H UNK 0 17.005 -2.249 1.686 0.00 0.00 H+0 HETATM 128 H UNK 0 10.485 -0.985 0.117 0.00 0.00 H+0 HETATM 129 H UNK 0 11.562 -2.710 0.741 0.00 0.00 H+0 HETATM 130 H UNK 0 10.781 -2.385 -2.599 0.00 0.00 H+0 HETATM 131 H UNK 0 8.052 -1.943 -2.195 0.00 0.00 H+0 HETATM 132 H UNK 0 8.995 -3.349 -1.639 0.00 0.00 H+0 HETATM 133 H UNK 0 8.693 -2.091 -0.470 0.00 0.00 H+0 HETATM 134 H UNK 0 8.556 1.840 0.756 0.00 0.00 H+0 HETATM 135 H UNK 0 6.246 3.425 0.686 0.00 0.00 H+0 HETATM 136 H UNK 0 7.919 3.939 0.579 0.00 0.00 H+0 HETATM 137 H UNK 0 7.104 3.645 -0.940 0.00 0.00 H+0 HETATM 138 H UNK 0 1.598 0.723 1.049 0.00 0.00 H+0 HETATM 139 H UNK 0 1.561 3.231 0.275 0.00 0.00 H+0 HETATM 140 H UNK 0 2.381 2.011 -0.695 0.00 0.00 H+0 HETATM 141 H UNK 0 3.339 3.147 0.430 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.949 1.039 0.853 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.355 3.559 1.773 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.979 3.160 2.654 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.977 3.401 0.671 0.00 0.00 H+0 HETATM 146 H UNK 0 -5.143 2.324 1.421 0.00 0.00 H+0 HETATM 147 H UNK 0 -3.966 1.589 0.286 0.00 0.00 H+0 HETATM 148 H UNK 0 -4.964 -1.655 -0.111 0.00 0.00 H+0 HETATM 149 H UNK 0 -3.529 -3.075 1.142 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.802 -3.562 2.252 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.932 -4.134 0.581 0.00 0.00 H+0 CONECT 1 2 78 79 80 CONECT 2 1 3 8 CONECT 3 2 4 81 CONECT 4 3 5 6 CONECT 5 4 82 CONECT 6 4 7 13 CONECT 7 6 8 9 CONECT 8 7 2 83 CONECT 9 7 10 84 85 CONECT 10 9 11 12 86 CONECT 11 10 87 CONECT 12 10 13 76 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 75 CONECT 17 16 18 19 CONECT 18 17 88 CONECT 19 17 20 89 CONECT 20 19 21 90 CONECT 21 20 22 75 CONECT 22 21 23 CONECT 23 22 24 74 91 CONECT 24 23 25 92 93 CONECT 25 24 26 27 94 CONECT 26 25 95 CONECT 27 25 28 72 96 CONECT 28 27 29 CONECT 29 28 30 71 97 CONECT 30 29 31 98 99 CONECT 31 30 32 67 100 CONECT 32 31 33 CONECT 33 32 34 66 101 CONECT 34 33 35 102 103 CONECT 35 34 36 104 105 CONECT 36 35 37 64 106 CONECT 37 36 38 CONECT 38 37 39 63 107 CONECT 39 38 40 108 109 CONECT 40 39 41 42 110 CONECT 41 40 111 CONECT 42 40 43 61 112 CONECT 43 42 44 CONECT 44 43 45 60 113 CONECT 45 44 46 114 115 CONECT 46 45 47 56 116 CONECT 47 46 48 CONECT 48 47 49 55 117 CONECT 49 48 50 118 119 CONECT 50 49 51 120 121 CONECT 51 50 52 53 122 CONECT 52 51 123 CONECT 53 51 54 55 124 CONECT 54 53 125 126 127 CONECT 55 53 48 CONECT 56 46 57 58 128 CONECT 57 56 129 CONECT 58 56 59 60 130 CONECT 59 58 131 132 133 CONECT 60 58 44 CONECT 61 42 62 63 134 CONECT 62 61 135 136 137 CONECT 63 61 38 CONECT 64 36 65 66 138 CONECT 65 64 139 140 141 CONECT 66 64 33 CONECT 67 31 68 69 142 CONECT 68 67 143 CONECT 69 67 70 71 144 CONECT 70 69 145 146 147 CONECT 71 69 29 CONECT 72 27 73 74 148 CONECT 73 72 149 150 151 CONECT 74 72 23 CONECT 75 21 76 16 CONECT 76 75 77 12 CONECT 77 76 CONECT 78 1 CONECT 79 1 CONECT 80 1 CONECT 81 3 CONECT 82 5 CONECT 83 8 CONECT 84 9 CONECT 85 9 CONECT 86 10 CONECT 87 11 CONECT 88 18 CONECT 89 19 CONECT 90 20 CONECT 91 23 CONECT 92 24 CONECT 93 24 CONECT 94 25 CONECT 95 26 CONECT 96 27 CONECT 97 29 CONECT 98 30 CONECT 99 30 CONECT 100 31 CONECT 101 33 CONECT 102 34 CONECT 103 34 CONECT 104 35 CONECT 105 35 CONECT 106 36 CONECT 107 38 CONECT 108 39 CONECT 109 39 CONECT 110 40 CONECT 111 41 CONECT 112 42 CONECT 113 44 CONECT 114 45 CONECT 115 45 CONECT 116 46 CONECT 117 48 CONECT 118 49 CONECT 119 49 CONECT 120 50 CONECT 121 50 CONECT 122 51 CONECT 123 52 CONECT 124 53 CONECT 125 54 CONECT 126 54 CONECT 127 54 CONECT 128 56 CONECT 129 57 CONECT 130 58 CONECT 131 59 CONECT 132 59 CONECT 133 59 CONECT 134 61 CONECT 135 62 CONECT 136 62 CONECT 137 62 CONECT 138 64 CONECT 139 65 CONECT 140 65 CONECT 141 65 CONECT 142 67 CONECT 143 68 CONECT 144 69 CONECT 145 70 CONECT 146 70 CONECT 147 70 CONECT 148 72 CONECT 149 73 CONECT 150 73 CONECT 151 73 MASTER 0 0 0 0 0 0 0 0 151 0 320 0 END