HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 O UNK 0 -24.854 -11.599 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -23.447 -12.225 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -21.982 -11.749 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 -21.662 -10.243 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 -21.982 -8.737 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 -23.447 -8.261 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -20.838 -7.706 0.000 0.00 0.00 C+0 HETATM 8 N UNK 0 -21.158 -6.200 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 -20.014 -5.169 0.000 0.00 0.00 C+0 HETATM 10 N UNK 0 -18.549 -5.645 0.000 0.00 0.00 N+0 HETATM 11 C UNK 0 -18.229 -7.152 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -19.373 -8.182 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -19.053 -9.688 0.000 0.00 0.00 C+0 HETATM 14 N UNK 0 -16.764 -7.627 0.000 0.00 0.00 N+0 HETATM 15 C UNK 0 -20.334 -3.663 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -21.798 -3.187 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -22.943 -4.218 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -22.623 -5.724 0.000 0.00 0.00 O+0 HETATM 19 N UNK 0 -24.407 -3.742 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 -19.189 -2.632 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 -19.510 -1.126 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -18.365 -0.096 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 -16.900 -0.572 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -18.685 1.411 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -17.541 2.441 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 -20.150 1.887 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 -20.838 -12.780 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -19.373 -12.304 0.000 0.00 0.00 O+0 HETATM 29 N UNK 0 -21.158 -14.286 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 -20.014 -15.317 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -18.549 -14.841 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -20.334 -16.823 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -19.189 -17.853 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -19.510 -19.360 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -20.974 -19.836 0.000 0.00 0.00 O+0 HETATM 36 N UNK 0 -18.365 -20.390 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 -18.685 -21.896 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -17.541 -22.927 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -16.076 -22.451 0.000 0.00 0.00 O+0 HETATM 40 N UNK 0 -17.861 -24.433 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -16.717 -25.464 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -17.037 -26.970 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -15.892 -28.001 0.000 0.00 0.00 C+0 HETATM 44 N UNK 0 -14.386 -27.680 0.000 0.00 0.00 N+0 HETATM 45 C UNK 0 -13.616 -29.014 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -12.084 -29.175 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 -11.054 -28.031 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 -9.647 -28.657 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -9.808 -30.189 0.000 0.00 0.00 C+0 HETATM 50 S UNK 0 -11.314 -30.509 0.000 0.00 0.00 S+0 HETATM 51 C UNK 0 -8.313 -27.887 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -8.313 -26.347 0.000 0.00 0.00 O+0 HETATM 53 N UNK 0 -6.980 -28.657 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 -5.646 -27.887 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.312 -28.657 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -2.979 -27.887 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.645 -28.657 0.000 0.00 0.00 C+0 HETATM 58 N UNK 0 -0.311 -27.887 0.000 0.00 0.00 N+0 HETATM 59 C UNK 0 1.022 -28.657 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 1.022 -30.197 0.000 0.00 0.00 N+0 HETATM 61 N UNK 0 2.356 -27.887 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 3.690 -28.657 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 5.023 -27.887 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 6.357 -28.657 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 7.691 -27.887 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 9.024 -28.657 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 10.358 -27.887 0.000 0.00 0.00 C+0 HETATM 68 N UNK 0 10.358 -26.347 0.000 0.00 0.00 N+0 HETATM 69 N UNK 0 11.692 -28.657 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 13.025 -27.887 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 14.359 -28.657 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 15.693 -27.887 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 17.027 -28.657 0.000 0.00 0.00 C+0 HETATM 74 N UNK 0 18.360 -27.887 0.000 0.00 0.00 N+0 HETATM 75 C UNK 0 19.694 -28.657 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 21.028 -27.887 0.000 0.00 0.00 N+0 HETATM 77 N UNK 0 19.694 -30.197 0.000 0.00 0.00 N+0 HETATM 78 C UNK 0 -14.646 -30.159 0.000 0.00 0.00 C+0 HETATM 79 S UNK 0 -16.053 -29.532 0.000 0.00 0.00 S+0 HETATM 80 C UNK 0 -20.150 -22.372 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 -20.470 -23.879 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 -21.294 -21.342 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -17.725 -17.377 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 -21.798 -17.299 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 -23.286 -13.757 0.000 0.00 0.00 C+0 HETATM 86 N UNK 0 -21.952 -14.527 0.000 0.00 0.00 N+0 HETATM 87 C UNK 0 -22.272 -16.033 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 -23.804 -16.194 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 -24.430 -14.787 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -25.015 -10.067 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 -23.769 -9.162 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 -23.930 -7.630 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 -25.337 -7.004 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 -26.583 -7.909 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 -26.422 -9.441 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 -27.668 -10.346 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 -29.074 -9.720 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 -30.320 -10.625 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 -31.727 -9.998 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -31.888 -8.467 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 -30.642 -7.562 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -29.235 -8.188 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 -30.803 -6.030 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 -32.210 -5.404 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 -33.295 -7.841 0.000 0.00 0.00 O+0 HETATM 106 O UNK 0 -32.973 -10.904 0.000 0.00 0.00 O+0 HETATM 107 C UNK 0 -34.380 -10.277 0.000 0.00 0.00 C+0 HETATM 108 O UNK 0 -35.626 -11.182 0.000 0.00 0.00 O+0 HETATM 109 N UNK 0 -34.541 -8.746 0.000 0.00 0.00 N+0 HETATM 110 O UNK 0 -30.159 -12.156 0.000 0.00 0.00 O+0 HETATM 111 O UNK 0 -27.989 -7.283 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 -25.498 -5.473 0.000 0.00 0.00 O+0 HETATM 113 C UNK 0 -22.684 -6.725 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 -21.654 -5.581 0.000 0.00 0.00 O+0 CONECT 1 2 90 CONECT 2 1 3 85 CONECT 3 2 4 27 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 12 CONECT 8 7 9 CONECT 9 8 10 15 CONECT 10 9 11 CONECT 11 10 12 14 CONECT 12 11 7 13 CONECT 13 12 CONECT 14 11 CONECT 15 9 16 20 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 CONECT 20 15 21 CONECT 21 20 22 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 CONECT 27 3 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 84 CONECT 33 32 34 83 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 80 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 79 CONECT 44 43 45 CONECT 45 44 46 78 CONECT 46 45 47 50 CONECT 47 46 48 CONECT 48 47 49 51 CONECT 49 48 50 CONECT 50 49 46 CONECT 51 48 52 53 CONECT 52 51 CONECT 53 51 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 CONECT 66 65 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 72 74 CONECT 74 73 75 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 CONECT 78 45 79 CONECT 79 78 43 CONECT 80 37 81 82 CONECT 81 80 CONECT 82 80 CONECT 83 33 CONECT 84 32 CONECT 85 2 86 89 CONECT 86 85 87 CONECT 87 86 88 CONECT 88 87 89 CONECT 89 88 85 CONECT 90 1 91 95 CONECT 91 90 92 CONECT 92 91 93 113 CONECT 93 92 94 112 CONECT 94 93 95 111 CONECT 95 94 90 96 CONECT 96 95 97 CONECT 97 96 98 102 CONECT 98 97 99 110 CONECT 99 98 100 106 CONECT 100 99 101 105 CONECT 101 100 102 103 CONECT 102 101 97 CONECT 103 101 104 CONECT 104 103 CONECT 105 100 CONECT 106 99 107 CONECT 107 106 108 109 CONECT 108 107 CONECT 109 107 CONECT 110 98 CONECT 111 94 CONECT 112 93 CONECT 113 92 114 CONECT 114 113 MASTER 0 0 0 0 0 0 0 0 114 0 238 0 END