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 -6.477 -3.262 0.275 0.00 0.00 C+0 HETATM 2 O UNK 0 -5.684 -2.458 -0.489 0.00 0.00 O+0 HETATM 3 C UNK 0 -5.439 -1.256 0.220 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.998 -0.991 0.202 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.268 -2.020 1.070 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.354 -1.331 2.069 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.816 -2.374 3.008 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.149 -3.436 2.167 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.651 -4.592 2.989 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.054 -3.918 1.077 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.143 -4.557 1.724 0.00 0.00 O+0 HETATM 12 O UNK 0 -2.596 -2.938 0.297 0.00 0.00 O+0 HETATM 13 C UNK 0 -1.298 -4.937 0.274 0.00 0.00 C+0 HETATM 14 O UNK 0 -1.174 -6.047 0.872 0.00 0.00 O+0 HETATM 15 C UNK 0 -0.743 -4.755 -1.033 0.00 0.00 C+0 HETATM 16 O UNK 0 -1.033 -5.650 -1.913 0.00 0.00 O+0 HETATM 17 N UNK 0 0.093 -3.721 -1.515 0.00 0.00 N+0 HETATM 18 C UNK 0 -0.163 -3.038 -2.774 0.00 0.00 C+0 HETATM 19 C UNK 0 1.015 -2.329 -3.320 0.00 0.00 C+0 HETATM 20 C UNK 0 2.288 -3.075 -3.133 0.00 0.00 C+0 HETATM 21 C UNK 0 2.447 -3.590 -1.751 0.00 0.00 C+0 HETATM 22 C UNK 0 1.297 -3.235 -0.838 0.00 0.00 C+0 HETATM 23 C UNK 0 1.194 -1.794 -0.506 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.045 -1.419 -0.544 0.00 0.00 O+0 HETATM 25 O UNK 0 2.270 -1.063 -0.220 0.00 0.00 O+0 HETATM 26 C UNK 0 3.067 -0.104 -0.888 0.00 0.00 C+0 HETATM 27 C UNK 0 4.480 -0.071 -0.270 0.00 0.00 C+0 HETATM 28 C UNK 0 5.277 0.902 -1.100 0.00 0.00 C+0 HETATM 29 C UNK 0 5.093 -1.376 -0.043 0.00 0.00 C+0 HETATM 30 C UNK 0 6.416 -1.325 0.640 0.00 0.00 C+0 HETATM 31 C UNK 0 7.548 -0.636 -0.010 0.00 0.00 C+0 HETATM 32 C UNK 0 8.888 -1.024 0.666 0.00 0.00 C+0 HETATM 33 C UNK 0 8.667 -1.394 2.094 0.00 0.00 C+0 HETATM 34 O UNK 0 8.182 -0.294 2.784 0.00 0.00 O+0 HETATM 35 C UNK 0 7.764 -2.605 2.220 0.00 0.00 C+0 HETATM 36 O UNK 0 8.453 -3.760 2.517 0.00 0.00 O+0 HETATM 37 C UNK 0 8.126 -4.268 3.776 0.00 0.00 C+0 HETATM 38 C UNK 0 6.842 -2.756 1.018 0.00 0.00 C+0 HETATM 39 C UNK 0 2.461 1.224 -0.445 0.00 0.00 C+0 HETATM 40 C UNK 0 2.561 2.388 -1.259 0.00 0.00 C+0 HETATM 41 O UNK 0 3.400 3.273 -1.005 0.00 0.00 O+0 HETATM 42 C UNK 0 1.708 2.657 -2.438 0.00 0.00 C+0 HETATM 43 C UNK 0 2.282 2.009 -3.650 0.00 0.00 C+0 HETATM 44 C UNK 0 1.558 4.149 -2.639 0.00 0.00 C+0 HETATM 45 C UNK 0 0.601 4.854 -2.038 0.00 0.00 C+0 HETATM 46 C UNK 0 0.944 6.256 -1.671 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.677 4.190 -1.794 0.00 0.00 C+0 HETATM 48 O UNK 0 -0.610 3.332 -0.664 0.00 0.00 O+0 HETATM 49 C UNK 0 -1.841 5.103 -1.491 0.00 0.00 C+0 HETATM 50 O UNK 0 -2.296 5.841 -2.554 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.358 7.194 -2.390 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.923 4.152 -1.013 0.00 0.00 C+0 HETATM 53 O UNK 0 -3.233 3.277 -1.814 0.00 0.00 O+0 HETATM 54 C UNK 0 -3.580 4.225 0.290 0.00 0.00 C+0 HETATM 55 C UNK 0 -2.838 5.073 1.265 0.00 0.00 C+0 HETATM 56 C UNK 0 -3.819 2.803 0.800 0.00 0.00 C+0 HETATM 57 C UNK 0 -5.052 2.749 1.684 0.00 0.00 C+0 HETATM 58 C UNK 0 -5.031 1.659 2.698 0.00 0.00 C+0 HETATM 59 C UNK 0 -6.267 2.897 0.912 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.479 2.612 1.325 0.00 0.00 C+0 HETATM 61 C UNK 0 -7.847 1.309 1.781 0.00 0.00 C+0 HETATM 62 C UNK 0 -8.056 0.206 1.082 0.00 0.00 C+0 HETATM 63 C UNK 0 -7.497 0.013 -0.224 0.00 0.00 C+0 HETATM 64 C UNK 0 -6.247 -0.227 -0.563 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.638 0.464 -1.703 0.00 0.00 C+0 HETATM 66 H UNK 0 -6.077 -3.560 1.258 0.00 0.00 H+0 HETATM 67 H UNK 0 -6.743 -4.227 -0.253 0.00 0.00 H+0 HETATM 68 H UNK 0 -7.479 -2.816 0.503 0.00 0.00 H+0 HETATM 69 H UNK 0 -5.910 -1.336 1.198 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.797 -0.023 0.691 0.00 0.00 H+0 HETATM 71 H UNK 0 -3.535 -0.954 -0.806 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.019 -2.550 1.674 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.575 -0.718 1.619 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.035 -0.675 2.683 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.572 -2.763 3.694 0.00 0.00 H+0 HETATM 76 H UNK 0 -1.006 -1.919 3.632 0.00 0.00 H+0 HETATM 77 H UNK 0 -0.247 -2.955 1.721 0.00 0.00 H+0 HETATM 78 H UNK 0 0.216 -5.068 2.494 0.00 0.00 H+0 HETATM 79 H UNK 0 -0.336 -4.215 3.976 0.00 0.00 H+0 HETATM 80 H UNK 0 -1.426 -5.346 3.129 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.582 -5.199 1.109 0.00 0.00 H+0 HETATM 82 H UNK 0 -0.437 -3.861 -3.496 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.079 -2.416 -2.702 0.00 0.00 H+0 HETATM 84 H UNK 0 0.850 -2.243 -4.435 0.00 0.00 H+0 HETATM 85 H UNK 0 1.131 -1.278 -2.978 0.00 0.00 H+0 HETATM 86 H UNK 0 3.190 -2.457 -3.430 0.00 0.00 H+0 HETATM 87 H UNK 0 2.355 -3.945 -3.853 0.00 0.00 H+0 HETATM 88 H UNK 0 2.457 -4.710 -1.766 0.00 0.00 H+0 HETATM 89 H UNK 0 3.382 -3.306 -1.252 0.00 0.00 H+0 HETATM 90 H UNK 0 1.479 -3.769 0.122 0.00 0.00 H+0 HETATM 91 H UNK 0 3.182 -0.223 -1.954 0.00 0.00 H+0 HETATM 92 H UNK 0 4.394 0.431 0.745 0.00 0.00 H+0 HETATM 93 H UNK 0 4.640 1.289 -1.971 0.00 0.00 H+0 HETATM 94 H UNK 0 5.657 1.772 -0.587 0.00 0.00 H+0 HETATM 95 H UNK 0 6.031 0.309 -1.684 0.00 0.00 H+0 HETATM 96 H UNK 0 5.197 -1.883 -1.058 0.00 0.00 H+0 HETATM 97 H UNK 0 4.359 -2.020 0.532 0.00 0.00 H+0 HETATM 98 H UNK 0 6.232 -0.856 1.680 0.00 0.00 H+0 HETATM 99 H UNK 0 7.658 -1.056 -1.041 0.00 0.00 H+0 HETATM 100 H UNK 0 7.548 0.466 0.039 0.00 0.00 H+0 HETATM 101 H UNK 0 9.576 -0.164 0.618 0.00 0.00 H+0 HETATM 102 H UNK 0 9.367 -1.834 0.075 0.00 0.00 H+0 HETATM 103 H UNK 0 9.681 -1.608 2.534 0.00 0.00 H+0 HETATM 104 H UNK 0 8.519 -0.329 3.707 0.00 0.00 H+0 HETATM 105 H UNK 0 7.096 -2.381 3.094 0.00 0.00 H+0 HETATM 106 H UNK 0 8.364 -3.534 4.581 0.00 0.00 H+0 HETATM 107 H UNK 0 7.073 -4.630 3.822 0.00 0.00 H+0 HETATM 108 H UNK 0 8.772 -5.150 3.950 0.00 0.00 H+0 HETATM 109 H UNK 0 7.306 -3.255 0.170 0.00 0.00 H+0 HETATM 110 H UNK 0 5.930 -3.279 1.371 0.00 0.00 H+0 HETATM 111 H UNK 0 2.874 1.389 0.610 0.00 0.00 H+0 HETATM 112 H UNK 0 1.358 1.001 -0.174 0.00 0.00 H+0 HETATM 113 H UNK 0 0.669 2.272 -2.300 0.00 0.00 H+0 HETATM 114 H UNK 0 1.826 2.483 -4.573 0.00 0.00 H+0 HETATM 115 H UNK 0 2.053 0.914 -3.683 0.00 0.00 H+0 HETATM 116 H UNK 0 3.378 2.104 -3.769 0.00 0.00 H+0 HETATM 117 H UNK 0 2.296 4.600 -3.307 0.00 0.00 H+0 HETATM 118 H UNK 0 0.792 6.866 -2.595 0.00 0.00 H+0 HETATM 119 H UNK 0 0.288 6.682 -0.901 0.00 0.00 H+0 HETATM 120 H UNK 0 1.991 6.401 -1.374 0.00 0.00 H+0 HETATM 121 H UNK 0 -0.928 3.497 -2.636 0.00 0.00 H+0 HETATM 122 H UNK 0 0.108 3.713 -0.063 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.542 5.764 -0.653 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.757 7.609 -3.365 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.140 7.505 -1.639 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.428 7.726 -2.218 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.580 4.725 0.122 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.882 6.127 0.859 0.00 0.00 H+0 HETATM 129 H UNK 0 -1.816 4.707 1.379 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.374 5.163 2.249 0.00 0.00 H+0 HETATM 131 H UNK 0 -3.993 2.203 -0.104 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.919 2.458 1.313 0.00 0.00 H+0 HETATM 133 H UNK 0 -4.925 3.706 2.297 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.949 1.537 3.008 0.00 0.00 H+0 HETATM 135 H UNK 0 -5.544 2.019 3.615 0.00 0.00 H+0 HETATM 136 H UNK 0 -5.355 0.674 2.370 0.00 0.00 H+0 HETATM 137 H UNK 0 -6.170 3.297 -0.115 0.00 0.00 H+0 HETATM 138 H UNK 0 -8.236 3.457 1.313 0.00 0.00 H+0 HETATM 139 H UNK 0 -8.053 1.154 2.871 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.735 -0.603 1.519 0.00 0.00 H+0 HETATM 141 H UNK 0 -8.169 0.019 -1.127 0.00 0.00 H+0 HETATM 142 H UNK 0 -6.021 1.502 -1.878 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.546 0.496 -1.655 0.00 0.00 H+0 HETATM 144 H UNK 0 -5.903 -0.114 -2.636 0.00 0.00 H+0 CONECT 1 2 66 67 68 CONECT 2 1 3 CONECT 3 2 4 64 69 CONECT 4 3 5 70 71 CONECT 5 4 6 12 72 CONECT 6 5 7 73 74 CONECT 7 6 8 75 76 CONECT 8 7 9 10 77 CONECT 9 8 78 79 80 CONECT 10 8 11 12 13 CONECT 11 10 81 CONECT 12 10 5 CONECT 13 10 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 15 18 22 CONECT 18 17 19 82 83 CONECT 19 18 20 84 85 CONECT 20 19 21 86 87 CONECT 21 20 22 88 89 CONECT 22 21 23 17 90 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 39 91 CONECT 27 26 28 29 92 CONECT 28 27 93 94 95 CONECT 29 27 30 96 97 CONECT 30 29 31 38 98 CONECT 31 30 32 99 100 CONECT 32 31 33 101 102 CONECT 33 32 34 35 103 CONECT 34 33 104 CONECT 35 33 36 38 105 CONECT 36 35 37 CONECT 37 36 106 107 108 CONECT 38 35 30 109 110 CONECT 39 26 40 111 112 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 44 113 CONECT 43 42 114 115 116 CONECT 44 42 45 117 CONECT 45 44 46 47 CONECT 46 45 118 119 120 CONECT 47 45 48 49 121 CONECT 48 47 122 CONECT 49 47 50 52 123 CONECT 50 49 51 CONECT 51 50 124 125 126 CONECT 52 49 53 54 CONECT 53 52 CONECT 54 52 55 56 127 CONECT 55 54 128 129 130 CONECT 56 54 57 131 132 CONECT 57 56 58 59 133 CONECT 58 57 134 135 136 CONECT 59 57 60 137 CONECT 60 59 61 138 CONECT 61 60 62 139 CONECT 62 61 63 140 CONECT 63 62 64 141 CONECT 64 63 65 3 CONECT 65 64 142 143 144 CONECT 66 1 CONECT 67 1 CONECT 68 1 CONECT 69 3 CONECT 70 4 CONECT 71 4 CONECT 72 5 CONECT 73 6 CONECT 74 6 CONECT 75 7 CONECT 76 7 CONECT 77 8 CONECT 78 9 CONECT 79 9 CONECT 80 9 CONECT 81 11 CONECT 82 18 CONECT 83 18 CONECT 84 19 CONECT 85 19 CONECT 86 20 CONECT 87 20 CONECT 88 21 CONECT 89 21 CONECT 90 22 CONECT 91 26 CONECT 92 27 CONECT 93 28 CONECT 94 28 CONECT 95 28 CONECT 96 29 CONECT 97 29 CONECT 98 30 CONECT 99 31 CONECT 100 31 CONECT 101 32 CONECT 102 32 CONECT 103 33 CONECT 104 34 CONECT 105 35 CONECT 106 37 CONECT 107 37 CONECT 108 37 CONECT 109 38 CONECT 110 38 CONECT 111 39 CONECT 112 39 CONECT 113 42 CONECT 114 43 CONECT 115 43 CONECT 116 43 CONECT 117 44 CONECT 118 46 CONECT 119 46 CONECT 120 46 CONECT 121 47 CONECT 122 48 CONECT 123 49 CONECT 124 51 CONECT 125 51 CONECT 126 51 CONECT 127 54 CONECT 128 55 CONECT 129 55 CONECT 130 55 CONECT 131 56 CONECT 132 56 CONECT 133 57 CONECT 134 58 CONECT 135 58 CONECT 136 58 CONECT 137 59 CONECT 138 60 CONECT 139 61 CONECT 140 62 CONECT 141 63 CONECT 142 65 CONECT 143 65 CONECT 144 65 MASTER 0 0 0 0 0 0 0 0 144 0 294 0 END