HEADER PROTEIN 13-SEP-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 13-SEP-23 0 HETATM 1 C UNK 0 -8.935 8.386 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -9.966 7.242 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -9.490 5.777 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -10.520 4.633 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -7.984 5.457 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 -7.508 3.992 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -9.004 3.627 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -10.519 3.902 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -9.436 2.149 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -10.932 1.784 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -11.996 2.897 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -11.721 4.412 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 -13.077 5.142 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 -14.190 4.078 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -13.522 2.690 0.000 0.00 0.00 N+0 HETATM 16 N UNK 0 -8.371 1.036 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 -9.561 0.058 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -11.003 0.599 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 -9.309 -1.461 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -10.498 -2.439 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -11.940 -1.898 0.000 0.00 0.00 O+0 HETATM 22 N UNK 0 -7.867 -2.002 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 -8.514 -3.400 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -10.048 -3.538 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -7.628 -4.659 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.970 -6.160 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.648 -6.950 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.489 -5.937 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 -6.094 -4.521 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 -6.071 -6.061 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -7.393 -6.851 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -4.726 -6.811 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.703 -8.351 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.025 -9.140 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -7.370 -8.390 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.692 -9.180 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 -8.669 -10.720 0.000 0.00 0.00 N+0 HETATM 38 N UNK 0 -3.404 -6.021 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 -2.715 -7.398 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.563 -8.684 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -1.178 -7.490 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.218 -8.694 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 1.224 -8.153 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 1.155 -6.615 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 -0.329 -6.205 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 0.889 -7.147 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 0.682 -8.673 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 2.314 -6.563 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 3.532 -7.505 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 3.325 -9.031 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 4.543 -9.973 0.000 0.00 0.00 C+0 HETATM 52 N UNK 0 4.337 -11.499 0.000 0.00 0.00 N+0 HETATM 53 C UNK 0 5.555 -12.441 0.000 0.00 0.00 C+0 HETATM 54 N UNK 0 6.980 -11.857 0.000 0.00 0.00 N+0 HETATM 55 N UNK 0 5.348 -13.968 0.000 0.00 0.00 N+0 HETATM 56 N UNK 0 2.520 -5.037 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 4.027 -5.357 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 4.503 -6.822 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 5.057 -4.213 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 6.564 -4.533 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 7.039 -5.998 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 6.134 -7.243 0.000 0.00 0.00 C+0 HETATM 63 N UNK 0 7.039 -8.489 0.000 0.00 0.00 N+0 HETATM 64 C UNK 0 8.504 -8.013 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 8.504 -6.473 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 9.838 -5.703 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 11.171 -6.473 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 11.171 -8.013 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 9.838 -8.783 0.000 0.00 0.00 C+0 HETATM 70 N UNK 0 4.581 -2.748 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 6.077 -2.383 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 7.142 -3.496 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 6.509 -0.905 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 8.005 -0.540 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 9.070 -1.653 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 10.566 -1.288 0.000 0.00 0.00 C+0 HETATM 77 N UNK 0 11.630 -2.401 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 13.126 -2.036 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 13.558 -0.558 0.000 0.00 0.00 N+0 HETATM 80 N UNK 0 14.190 -3.149 0.000 0.00 0.00 N+0 HETATM 81 N UNK 0 5.445 0.208 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 6.635 1.186 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 8.076 0.645 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 6.382 2.705 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 7.572 3.683 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 9.014 3.142 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 10.203 4.120 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 9.266 1.623 0.000 0.00 0.00 C+0 HETATM 89 N UNK 0 4.940 3.247 0.000 0.00 0.00 N+0 HETATM 90 C UNK 0 5.588 4.644 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 7.122 4.782 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 4.701 5.903 0.000 0.00 0.00 C+0 HETATM 93 N UNK 0 3.168 5.765 0.000 0.00 0.00 N+0 HETATM 94 C UNK 0 3.145 7.305 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 4.467 8.095 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 1.799 8.055 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 1.776 9.595 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 3.098 10.385 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 3.075 11.924 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 4.397 12.714 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 5.742 11.964 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 7.065 12.754 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 5.766 10.424 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 4.444 9.635 0.000 0.00 0.00 C+0 HETATM 105 N UNK 0 0.477 7.265 0.000 0.00 0.00 N+0 HETATM 106 C UNK 0 -0.211 8.642 0.000 0.00 0.00 C+0 HETATM 107 O UNK 0 0.637 9.927 0.000 0.00 0.00 O+0 HETATM 108 C UNK 0 -1.749 8.735 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 -2.437 10.112 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 -1.589 11.397 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 -0.052 11.305 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 0.797 12.590 0.000 0.00 0.00 C+0 HETATM 113 N UNK 0 0.108 13.968 0.000 0.00 0.00 N+0 HETATM 114 N UNK 0 -2.597 7.449 0.000 0.00 0.00 N+0 HETATM 115 C UNK 0 -3.815 8.391 0.000 0.00 0.00 C+0 HETATM 116 O UNK 0 -3.608 9.917 0.000 0.00 0.00 O+0 HETATM 117 C UNK 0 -5.240 7.807 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 -6.458 8.749 0.000 0.00 0.00 C+0 HETATM 119 O UNK 0 -6.252 10.275 0.000 0.00 0.00 O+0 HETATM 120 N UNK 0 -5.447 6.281 0.000 0.00 0.00 N+0 HETATM 121 C UNK 0 -6.953 6.601 0.000 0.00 0.00 C+0 HETATM 122 O UNK 0 -7.429 8.066 0.000 0.00 0.00 O+0 HETATM 123 C UNK 0 5.349 7.301 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 4.895 8.772 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 6.883 7.438 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 7.530 8.836 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 121 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 16 CONECT 10 9 11 CONECT 11 10 12 15 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 11 CONECT 16 9 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 22 CONECT 20 19 21 CONECT 21 20 CONECT 22 19 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 29 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 25 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 38 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 CONECT 38 32 39 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 45 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 41 46 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 56 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 52 CONECT 52 51 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 CONECT 56 48 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 70 CONECT 60 59 61 CONECT 61 60 62 65 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 69 CONECT 65 64 61 66 CONECT 66 65 67 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 64 CONECT 70 59 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 81 CONECT 74 73 75 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 80 CONECT 79 78 CONECT 80 78 CONECT 81 73 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 89 CONECT 85 84 86 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 CONECT 89 84 90 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 93 123 CONECT 93 92 94 CONECT 94 93 95 96 CONECT 95 94 CONECT 96 94 97 105 CONECT 97 96 98 CONECT 98 97 99 104 CONECT 99 98 100 CONECT 100 99 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 CONECT 104 103 98 CONECT 105 96 106 CONECT 106 105 107 108 CONECT 107 106 CONECT 108 106 109 114 CONECT 109 108 110 CONECT 110 109 111 CONECT 111 110 112 CONECT 112 111 113 CONECT 113 112 CONECT 114 108 115 CONECT 115 114 116 117 CONECT 116 115 CONECT 117 115 118 120 CONECT 118 117 119 CONECT 119 118 CONECT 120 117 121 CONECT 121 120 5 122 CONECT 122 121 CONECT 123 92 124 125 CONECT 124 123 CONECT 125 123 126 CONECT 126 125 MASTER 0 0 0 0 0 0 0 0 126 0 264 0 END