HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 C UNK 0 24.397 -10.344 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 22.864 -10.199 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 25.289 -9.089 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 26.544 -9.981 0.000 0.00 0.00 C+0 HETATM 5 N UNK 0 26.182 -7.834 0.000 0.00 0.00 N+0 HETATM 6 C UNK 0 25.541 -6.433 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 24.008 -6.288 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 26.433 -5.178 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 25.792 -3.778 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 26.685 -2.523 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 28.218 -2.668 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 26.044 -1.122 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 26.936 0.133 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 26.296 1.533 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 24.763 1.678 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 27.188 2.788 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 28.443 1.896 0.000 0.00 0.00 C+0 HETATM 18 N UNK 0 28.080 4.043 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 27.440 5.444 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 25.907 5.589 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 28.332 6.699 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 29.865 6.554 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 30.758 7.809 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 30.506 5.153 0.000 0.00 0.00 C+0 HETATM 25 N UNK 0 27.691 8.099 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 28.584 9.354 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 30.117 9.209 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 27.943 10.755 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 29.343 11.395 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 27.302 12.155 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 28.195 13.410 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 29.728 13.265 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 27.554 14.810 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 26.021 14.956 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 25.380 16.356 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 23.847 16.501 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 22.954 15.246 0.000 0.00 0.00 O+0 HETATM 38 N UNK 0 23.206 17.902 0.000 0.00 0.00 N+0 HETATM 39 N UNK 0 28.446 16.066 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 27.805 17.466 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 26.272 17.611 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 28.698 18.721 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 29.953 17.829 0.000 0.00 0.00 C+0 HETATM 44 N UNK 0 29.590 19.976 0.000 0.00 0.00 N+0 HETATM 45 C UNK 0 28.949 21.376 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 27.416 21.522 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 29.842 22.632 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 31.097 21.739 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 30.734 23.887 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 30.094 25.287 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 28.560 25.432 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 30.986 26.542 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 32.519 26.397 0.000 0.00 0.00 C+0 HETATM 54 N UNK 0 30.345 27.942 0.000 0.00 0.00 N+0 HETATM 55 C UNK 0 31.238 29.198 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 32.771 29.052 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 30.597 30.598 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 29.956 31.998 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 30.848 33.253 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 32.382 33.108 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 30.208 34.654 0.000 0.00 0.00 C+0 HETATM 62 N UNK 0 31.100 35.909 0.000 0.00 0.00 N+0 HETATM 63 C UNK 0 30.459 37.309 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 28.926 37.455 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 31.352 38.564 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 32.244 39.819 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 31.603 41.220 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 32.496 42.475 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 30.070 41.365 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 30.097 39.457 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 32.607 37.672 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 28.675 34.799 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 29.196 29.957 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 31.997 31.239 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 28.587 23.524 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 27.443 19.613 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 26.543 10.114 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 25.933 3.681 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 27.966 -5.323 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 28.859 -4.068 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 28.607 -6.724 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 24.034 -8.196 0.000 0.00 0.00 C+0 HETATM 83 N UNK 0 25.038 -11.744 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 26.547 -12.049 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 26.724 -13.579 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 25.323 -14.219 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 24.281 -13.086 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 22.751 -13.262 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 22.139 -14.676 0.000 0.00 0.00 O+0 HETATM 90 N UNK 0 21.833 -12.026 0.000 0.00 0.00 N+0 HETATM 91 C UNK 0 20.304 -12.202 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 19.692 -13.616 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 20.610 -14.852 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 18.162 -13.792 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 19.386 -10.966 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 19.998 -9.553 0.000 0.00 0.00 O+0 HETATM 97 N UNK 0 17.856 -11.143 0.000 0.00 0.00 N+0 HETATM 98 C UNK 0 16.938 -9.906 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 18.175 -8.988 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 15.701 -10.824 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 16.020 -8.669 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 16.632 -7.256 0.000 0.00 0.00 O+0 HETATM 103 N UNK 0 14.490 -8.846 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 13.572 -7.610 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 14.809 -6.692 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 12.336 -8.527 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 10.923 -7.915 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 12.654 -6.373 0.000 0.00 0.00 C+0 HETATM 109 O UNK 0 13.266 -4.960 0.000 0.00 0.00 O+0 HETATM 110 C UNK 0 11.125 -6.550 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 10.207 -5.313 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 8.677 -5.490 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 8.065 -6.903 0.000 0.00 0.00 O+0 HETATM 114 N UNK 0 7.759 -4.253 0.000 0.00 0.00 N+0 HETATM 115 C UNK 0 6.229 -4.430 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 5.311 -3.193 0.000 0.00 0.00 C+0 HETATM 117 O UNK 0 5.923 -1.780 0.000 0.00 0.00 O+0 HETATM 118 N UNK 0 3.781 -3.370 0.000 0.00 0.00 N+0 HETATM 119 C UNK 0 2.864 -2.133 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 3.475 -0.720 0.000 0.00 0.00 C+0 HETATM 121 O UNK 0 2.558 0.516 0.000 0.00 0.00 O+0 HETATM 122 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 0.416 -1.073 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 -1.114 -1.250 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 -2.032 -0.014 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 -1.420 1.400 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 0.110 1.576 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 1.028 0.340 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 5.617 -5.843 0.000 0.00 0.00 C+0 HETATM 130 C UNK 0 4.087 -6.020 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 3.475 -7.433 0.000 0.00 0.00 C+0 HETATM 132 O UNK 0 4.393 -8.669 0.000 0.00 0.00 O+0 HETATM 133 N UNK 0 1.946 -7.610 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 10.819 -3.900 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 12.348 -3.723 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 12.960 -2.310 0.000 0.00 0.00 C+0 HETATM 137 O UNK 0 12.043 -1.073 0.000 0.00 0.00 O+0 HETATM 138 N UNK 0 14.490 -2.133 0.000 0.00 0.00 N+0 CONECT 1 2 3 83 CONECT 2 1 CONECT 3 1 4 5 82 CONECT 4 3 CONECT 5 3 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 79 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 18 78 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 25 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 CONECT 25 21 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 77 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 39 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 33 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 44 76 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 49 75 CONECT 48 47 CONECT 49 47 50 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 73 74 CONECT 58 57 59 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 72 CONECT 62 61 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 70 71 CONECT 66 65 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 CONECT 70 65 CONECT 71 65 CONECT 72 61 CONECT 73 57 CONECT 74 57 CONECT 75 47 CONECT 76 42 CONECT 77 28 CONECT 78 16 CONECT 79 8 80 81 CONECT 80 79 CONECT 81 79 CONECT 82 3 CONECT 83 1 84 87 CONECT 84 83 85 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 83 88 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 91 CONECT 91 90 92 95 CONECT 92 91 93 94 CONECT 93 92 CONECT 94 92 CONECT 95 91 96 97 CONECT 96 95 CONECT 97 95 98 CONECT 98 97 99 100 101 CONECT 99 98 CONECT 100 98 CONECT 101 98 102 103 CONECT 102 101 CONECT 103 101 104 CONECT 104 103 105 106 108 CONECT 105 104 CONECT 106 104 107 CONECT 107 106 CONECT 108 104 109 110 CONECT 109 108 CONECT 110 108 111 CONECT 111 110 112 134 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 115 CONECT 115 114 116 129 CONECT 116 115 117 118 CONECT 117 116 CONECT 118 116 119 CONECT 119 118 120 122 CONECT 120 119 121 CONECT 121 120 CONECT 122 119 123 CONECT 123 122 124 128 CONECT 124 123 125 CONECT 125 124 126 CONECT 126 125 127 CONECT 127 126 128 CONECT 128 127 123 CONECT 129 115 130 CONECT 130 129 131 CONECT 131 130 132 133 CONECT 132 131 CONECT 133 131 CONECT 134 111 135 CONECT 135 134 136 CONECT 136 135 137 138 CONECT 137 136 CONECT 138 136 MASTER 0 0 0 0 0 0 0 0 138 0 278 0 END