HEADER PROTEIN 21-NOV-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-NOV-22 0 HETATM 1 H UNK 0 19.403 8.572 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 20.008 7.156 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 20.613 5.739 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 19.689 4.507 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 22.142 5.555 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 23.066 6.787 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 24.595 6.603 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 25.519 7.835 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 24.914 9.252 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 26.074 10.265 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 27.396 9.475 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 27.053 7.973 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 23.385 9.436 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 22.461 8.204 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 20.932 8.388 0.000 0.00 0.00 C+0 HETATM 16 H UNK 0 21.856 9.620 0.000 0.00 0.00 H+0 HETATM 17 N UNK 0 20.327 9.804 0.000 0.00 0.00 N+1 HETATM 18 C UNK 0 20.130 11.202 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 19.594 11.380 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 19.552 13.004 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 19.800 14.532 0.000 0.00 0.00 N+0 HETATM 22 P UNK 0 21.276 15.236 0.000 0.00 0.00 P+0 HETATM 23 S UNK 0 22.356 15.649 0.000 0.00 0.00 S+0 HETATM 24 N UNK 0 22.964 15.265 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 24.523 14.772 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 25.466 13.412 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 26.859 12.475 0.000 0.00 0.00 N+1 HETATM 28 C UNK 0 27.505 13.832 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 25.935 11.243 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 26.540 9.827 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 28.069 9.643 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 28.674 8.226 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 27.750 6.994 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 26.221 7.179 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 25.616 8.595 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 24.082 8.457 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 23.739 6.956 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 25.061 6.165 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 28.993 10.875 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 29.917 12.107 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 30.522 10.691 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 31.127 9.274 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 31.446 11.923 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 30.841 13.339 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 31.765 14.571 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 31.160 15.987 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 29.631 16.171 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 29.448 17.867 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 30.679 18.432 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 31.807 17.384 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 28.707 14.939 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 29.312 13.523 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 28.388 12.291 0.000 0.00 0.00 C+0 HETATM 54 H UNK 0 27.464 11.059 0.000 0.00 0.00 H+0 HETATM 55 N UNK 0 19.980 16.279 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 21.103 17.307 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 21.212 18.870 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 22.446 19.890 0.000 0.00 0.00 N+1 HETATM 59 C UNK 0 23.827 19.103 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 20.972 20.336 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 20.622 21.836 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 21.746 22.889 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 21.396 24.389 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 19.923 24.835 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 18.799 23.783 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 19.149 22.283 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 17.830 21.487 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 16.666 22.494 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 17.264 23.913 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 23.220 22.442 0.000 0.00 0.00 C+0 HETATM 71 H UNK 0 24.694 21.995 0.000 0.00 0.00 H+0 HETATM 72 C UNK 0 24.344 23.495 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 24.631 25.113 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 25.818 23.048 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 26.167 21.549 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 27.641 21.102 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 27.991 19.602 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 26.867 18.549 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 27.521 17.155 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 29.050 17.346 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 29.340 18.859 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 25.394 18.996 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 25.044 20.496 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 23.570 20.942 0.000 0.00 0.00 C+0 HETATM 85 H UNK 0 23.920 19.443 0.000 0.00 0.00 H+0 HETATM 86 C UNK 0 18.798 9.988 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 17.874 8.756 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 18.479 7.340 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 17.555 6.108 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 16.026 6.292 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 15.421 7.708 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 16.345 8.940 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 15.459 10.199 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 13.987 9.746 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 13.964 8.206 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 15 88 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 CONECT 6 5 7 14 CONECT 7 6 8 CONECT 8 7 9 12 CONECT 9 8 10 13 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 8 CONECT 13 9 14 CONECT 14 13 6 15 CONECT 15 14 2 16 17 CONECT 16 15 CONECT 17 15 18 19 86 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 24 55 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 29 53 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 35 CONECT 31 30 32 39 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 38 CONECT 35 34 30 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 34 CONECT 39 31 40 41 53 CONECT 40 39 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 45 52 CONECT 45 44 46 CONECT 46 45 47 50 CONECT 47 46 48 51 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 46 CONECT 51 47 52 CONECT 52 51 44 53 CONECT 53 52 27 39 54 CONECT 54 53 CONECT 55 22 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 60 84 CONECT 59 58 CONECT 60 58 61 CONECT 61 60 62 66 CONECT 62 61 63 70 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 69 CONECT 66 65 61 67 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 65 CONECT 70 62 71 72 84 CONECT 71 70 CONECT 72 70 73 74 CONECT 73 72 CONECT 74 72 75 CONECT 75 74 76 83 CONECT 76 75 77 CONECT 77 76 78 81 CONECT 78 77 79 82 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 77 CONECT 82 78 83 CONECT 83 82 75 84 CONECT 84 83 58 70 85 CONECT 85 84 CONECT 86 17 87 CONECT 87 86 88 92 CONECT 88 87 2 89 CONECT 89 88 90 CONECT 90 89 91 CONECT 91 90 92 95 CONECT 92 91 87 93 CONECT 93 92 94 CONECT 94 93 95 CONECT 95 94 91 MASTER 0 0 0 0 0 0 0 0 95 0 224 0 END