HEADER PROTEIN 09-FEB-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 09-FEB-23 0 HETATM 1 Lu UNK 0 -10.188 3.907 0.000 0.00 0.00 Lu+3 HETATM 2 C UNK 0 45.013 -3.069 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 43.646 -2.359 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 43.578 -0.820 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 42.212 -0.110 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 42.143 1.428 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 40.777 2.138 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 39.479 1.310 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 39.547 -0.229 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 38.112 2.020 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 38.044 3.558 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 39.342 4.387 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 40.775 3.823 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 41.754 5.013 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 40.925 6.311 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 39.435 5.924 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 38.355 7.022 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 38.765 8.506 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 40.256 8.893 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 41.336 7.795 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 36.814 1.191 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 35.447 1.902 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 35.379 3.440 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 34.149 1.073 0.000 0.00 0.00 C+0 HETATM 25 N UNK 0 32.783 1.783 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 31.484 0.955 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 31.553 -0.584 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 30.118 1.665 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 30.050 3.203 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 31.348 4.032 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 31.279 5.570 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 32.578 6.399 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 33.944 5.689 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 35.242 6.517 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 34.012 4.150 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 32.714 3.322 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 28.820 0.836 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 27.453 1.547 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 27.385 3.085 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 26.155 0.718 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 26.223 -0.820 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 24.788 1.428 0.000 0.00 0.00 N+0 HETATM 43 C UNK 0 23.490 0.600 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 23.558 -0.939 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 22.124 1.310 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 22.055 2.848 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 20.689 3.558 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 20.620 5.097 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 19.254 5.807 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 21.919 5.925 0.000 0.00 0.00 O+0 HETATM 51 N UNK 0 20.825 0.481 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 19.459 1.191 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 19.391 2.730 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 18.161 0.363 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 18.229 -1.175 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 16.931 -2.004 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 16.999 -3.542 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 18.366 -4.252 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 15.701 -4.371 0.000 0.00 0.00 O+0 HETATM 60 N UNK 0 16.794 1.073 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 15.496 0.245 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 15.564 -1.294 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 14.129 0.955 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 14.061 2.493 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 15.359 3.322 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 15.291 4.860 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 13.924 5.570 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 16.589 5.689 0.000 0.00 0.00 O+0 HETATM 69 N UNK 0 12.831 0.126 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 11.465 0.836 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 11.396 2.375 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 10.167 0.008 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 10.235 -1.530 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 11.601 -2.241 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 11.670 -3.779 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 10.371 -4.607 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 13.036 -4.489 0.000 0.00 0.00 O+0 HETATM 78 N UNK 0 8.800 0.718 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 7.502 -0.110 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 7.570 -1.649 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 6.135 0.600 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 6.067 2.138 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 7.365 2.967 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 7.297 4.505 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 5.930 5.215 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 8.595 5.334 0.000 0.00 0.00 O+0 HETATM 87 N UNK 0 4.837 -0.229 0.000 0.00 0.00 N+0 HETATM 88 C UNK 0 3.471 0.481 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 3.402 2.020 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 2.172 -0.347 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 2.241 -1.885 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 3.607 -2.596 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 3.675 -4.134 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 2.377 -4.962 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 5.042 -4.844 0.000 0.00 0.00 O+0 HETATM 96 N UNK 0 0.806 0.363 0.000 0.00 0.00 N+0 HETATM 97 C UNK 0 -0.492 -0.465 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -0.424 -2.004 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -1.859 0.245 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 -3.157 -0.584 0.000 0.00 0.00 N+0 HETATM 101 C UNK 0 -3.621 0.885 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 -5.125 1.217 0.000 0.00 0.00 C+0 HETATM 103 N UNK 0 -6.165 0.081 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 -6.993 1.379 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 -8.532 1.311 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 -9.360 2.609 0.000 0.00 0.00 O-1 HETATM 107 O UNK 0 -9.242 -0.056 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 -7.633 -0.383 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 -7.965 -1.887 0.000 0.00 0.00 C+0 HETATM 110 N UNK 0 -6.829 -2.927 0.000 0.00 0.00 N+0 HETATM 111 C UNK 0 -8.127 -3.755 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 -9.494 -3.045 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 -9.562 -1.507 0.000 0.00 0.00 O-1 HETATM 114 O UNK 0 -10.792 -3.874 0.000 0.00 0.00 O+0 HETATM 115 C UNK 0 -6.365 -4.395 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 -4.861 -4.727 0.000 0.00 0.00 C+0 HETATM 117 N UNK 0 -3.822 -3.591 0.000 0.00 0.00 N+0 HETATM 118 C UNK 0 -2.993 -4.889 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 -3.703 -6.256 0.000 0.00 0.00 C+0 HETATM 120 O UNK 0 -2.875 -7.554 0.000 0.00 0.00 O-1 HETATM 121 O UNK 0 -5.242 -6.324 0.000 0.00 0.00 O+0 HETATM 122 C UNK 0 -2.353 -3.127 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 -2.021 -1.623 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 43.441 2.257 0.000 0.00 0.00 C+0 HETATM 125 O UNK 0 43.373 3.795 0.000 0.00 0.00 O+0 HETATM 126 N UNK 0 44.808 1.547 0.000 0.00 0.00 N+0 HETATM 127 C UNK 0 46.106 2.375 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 46.038 3.913 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 47.336 4.742 0.000 0.00 0.00 C+0 HETATM 130 O UNK 0 47.268 6.280 0.000 0.00 0.00 O+0 HETATM 131 O UNK 0 48.703 4.032 0.000 0.00 0.00 O+0 HETATM 132 C UNK 0 47.473 1.665 0.000 0.00 0.00 C+0 HETATM 133 O UNK 0 47.541 0.126 0.000 0.00 0.00 O+0 HETATM 134 N UNK 0 48.771 2.493 0.000 0.00 0.00 N+0 HETATM 135 C UNK 0 50.137 1.783 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 51.436 2.612 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 51.367 4.150 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 50.001 4.860 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 49.933 6.399 0.000 0.00 0.00 C+0 HETATM 140 C UNK 0 51.231 7.227 0.000 0.00 0.00 C+0 HETATM 141 C UNK 0 52.597 6.517 0.000 0.00 0.00 C+0 HETATM 142 C UNK 0 52.666 4.979 0.000 0.00 0.00 C+0 HETATM 143 C UNK 0 50.206 0.245 0.000 0.00 0.00 C+0 HETATM 144 N UNK 0 51.572 -0.465 0.000 0.00 0.00 N+0 HETATM 145 O UNK 0 48.908 -0.584 0.000 0.00 0.00 O+0 CONECT 2 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 124 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 21 CONECT 11 10 12 CONECT 12 11 13 16 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 20 CONECT 16 15 12 17 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 15 CONECT 21 10 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 37 CONECT 29 28 30 CONECT 30 29 31 36 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 30 CONECT 37 28 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 46 51 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 CONECT 51 45 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 60 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 CONECT 60 54 61 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 69 CONECT 64 63 65 CONECT 65 64 66 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 CONECT 69 63 70 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 78 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 CONECT 78 72 79 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 87 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 CONECT 87 81 88 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 91 96 CONECT 91 90 92 CONECT 92 91 93 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 CONECT 96 90 97 CONECT 97 96 98 99 CONECT 98 97 CONECT 99 97 100 CONECT 100 99 101 123 CONECT 101 100 102 CONECT 102 101 103 CONECT 103 102 104 108 CONECT 104 103 105 CONECT 105 104 106 107 CONECT 106 105 CONECT 107 105 CONECT 108 103 109 CONECT 109 108 110 CONECT 110 109 111 115 CONECT 111 110 112 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 CONECT 115 110 116 CONECT 116 115 117 CONECT 117 116 118 122 CONECT 118 117 119 CONECT 119 118 120 121 CONECT 120 119 CONECT 121 119 CONECT 122 117 123 CONECT 123 122 100 CONECT 124 6 125 126 CONECT 125 124 CONECT 126 124 127 CONECT 127 126 128 132 CONECT 128 127 129 CONECT 129 128 130 131 CONECT 130 129 CONECT 131 129 CONECT 132 127 133 134 CONECT 133 132 CONECT 134 132 135 CONECT 135 134 136 143 CONECT 136 135 137 CONECT 137 136 138 142 CONECT 138 137 139 CONECT 139 138 140 CONECT 140 139 141 CONECT 141 140 142 CONECT 142 141 137 CONECT 143 135 144 145 CONECT 144 143 CONECT 145 143 MASTER 0 0 0 0 0 0 0 0 145 0 296 0 END