HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -8.140 1.784 1.140 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.683 1.712 0.799 0.00 0.00 C+0 HETATM 3 O UNK 0 -5.975 0.737 1.002 0.00 0.00 O+0 HETATM 4 O UNK 0 -6.279 2.892 0.251 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.905 2.953 -0.163 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.686 2.360 -1.569 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.448 3.200 -2.648 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.981 3.231 -2.561 0.00 0.00 C+0 HETATM 9 O UNK 0 -7.482 1.900 -2.506 0.00 0.00 O+0 HETATM 10 C UNK 0 -7.575 3.876 -3.786 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.259 5.034 -3.876 0.00 0.00 C+0 HETATM 12 C UNK 0 -8.795 5.502 -5.205 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.554 5.965 -2.732 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.169 2.285 -1.962 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.988 1.608 -3.364 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.676 0.805 -3.335 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.927 1.350 -2.103 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.244 2.662 -2.604 0.00 0.00 C+0 HETATM 19 C UNK 0 0.155 0.501 -1.438 0.00 0.00 C+0 HETATM 20 C UNK 0 0.526 -0.712 -1.884 0.00 0.00 C+0 HETATM 21 C UNK 0 1.460 -1.633 -1.158 0.00 0.00 C+0 HETATM 22 C UNK 0 1.684 -1.229 0.316 0.00 0.00 C+0 HETATM 23 C UNK 0 2.641 -2.215 1.091 0.00 0.00 C+0 HETATM 24 C UNK 0 1.887 -3.553 1.315 0.00 0.00 C+0 HETATM 25 C UNK 0 3.984 -2.517 0.385 0.00 0.00 C+0 HETATM 26 O UNK 0 4.692 -3.530 1.105 0.00 0.00 O+0 HETATM 27 C UNK 0 6.024 -3.734 0.629 0.00 0.00 C+0 HETATM 28 O UNK 0 6.010 -4.242 -0.703 0.00 0.00 O+0 HETATM 29 C UNK 0 7.343 -4.474 -1.206 0.00 0.00 C+0 HETATM 30 C UNK 0 7.211 -4.944 -2.658 0.00 0.00 C+0 HETATM 31 O UNK 0 6.470 -3.975 -3.405 0.00 0.00 O+0 HETATM 32 C UNK 0 8.080 -5.511 -0.347 0.00 0.00 C+0 HETATM 33 O UNK 0 9.426 -5.684 -0.793 0.00 0.00 O+0 HETATM 34 C UNK 0 8.090 -5.058 1.114 0.00 0.00 C+0 HETATM 35 O UNK 0 8.672 -6.095 1.921 0.00 0.00 O+0 HETATM 36 C UNK 0 6.676 -4.743 1.590 0.00 0.00 C+0 HETATM 37 O UNK 0 6.740 -4.228 2.929 0.00 0.00 O+0 HETATM 38 C UNK 0 2.982 -1.628 2.472 0.00 0.00 C+0 HETATM 39 O UNK 0 3.046 -2.317 3.493 0.00 0.00 O+0 HETATM 40 C UNK 0 3.348 -0.164 2.538 0.00 0.00 C+0 HETATM 41 C UNK 0 2.247 0.668 1.904 0.00 0.00 C+0 HETATM 42 C UNK 0 1.980 0.306 0.423 0.00 0.00 C+0 HETATM 43 C UNK 0 3.211 0.747 -0.420 0.00 0.00 C+0 HETATM 44 C UNK 0 0.736 1.117 -0.156 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.413 1.399 0.841 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.625 2.159 0.234 0.00 0.00 C+0 HETATM 47 O UNK 0 -1.284 3.538 -0.007 0.00 0.00 O+0 HETATM 48 C UNK 0 -1.385 4.395 1.044 0.00 0.00 C+0 HETATM 49 C UNK 0 -0.991 5.774 0.613 0.00 0.00 C+0 HETATM 50 O UNK 0 -1.744 4.100 2.174 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.133 1.502 -1.081 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.757 0.123 -0.682 0.00 0.00 C+0 HETATM 53 H UNK 0 -8.304 2.546 1.905 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.468 0.817 1.532 0.00 0.00 H+0 HETATM 55 H UNK 0 -8.722 2.008 0.243 0.00 0.00 H+0 HETATM 56 H UNK 0 -4.611 4.008 -0.149 0.00 0.00 H+0 HETATM 57 H UNK 0 -4.307 2.452 0.594 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.103 1.347 -1.590 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.068 4.231 -2.635 0.00 0.00 H+0 HETATM 60 H UNK 0 -5.197 2.796 -3.636 0.00 0.00 H+0 HETATM 61 H UNK 0 -7.309 3.744 -1.658 0.00 0.00 H+0 HETATM 62 H UNK 0 -8.447 1.961 -2.606 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.417 3.300 -4.699 0.00 0.00 H+0 HETATM 64 H UNK 0 -8.357 6.470 -5.471 0.00 0.00 H+0 HETATM 65 H UNK 0 -9.883 5.614 -5.155 0.00 0.00 H+0 HETATM 66 H UNK 0 -8.570 4.801 -6.016 0.00 0.00 H+0 HETATM 67 H UNK 0 -9.634 6.014 -2.557 0.00 0.00 H+0 HETATM 68 H UNK 0 -8.077 5.672 -1.795 0.00 0.00 H+0 HETATM 69 H UNK 0 -8.198 6.973 -2.969 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.827 3.325 -2.047 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.948 2.374 -4.146 0.00 0.00 H+0 HETATM 72 H UNK 0 -3.816 0.932 -3.607 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.908 -0.262 -3.248 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.117 0.924 -4.270 0.00 0.00 H+0 HETATM 75 H UNK 0 0.202 3.270 -1.815 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.926 3.321 -3.150 0.00 0.00 H+0 HETATM 77 H UNK 0 0.569 2.417 -3.301 0.00 0.00 H+0 HETATM 78 H UNK 0 0.112 -1.115 -2.805 0.00 0.00 H+0 HETATM 79 H UNK 0 2.400 -1.666 -1.718 0.00 0.00 H+0 HETATM 80 H UNK 0 1.029 -2.639 -1.200 0.00 0.00 H+0 HETATM 81 H UNK 0 0.707 -1.351 0.812 0.00 0.00 H+0 HETATM 82 H UNK 0 2.445 -4.242 1.960 0.00 0.00 H+0 HETATM 83 H UNK 0 1.703 -4.075 0.371 0.00 0.00 H+0 HETATM 84 H UNK 0 0.921 -3.385 1.805 0.00 0.00 H+0 HETATM 85 H UNK 0 3.815 -2.889 -0.630 0.00 0.00 H+0 HETATM 86 H UNK 0 4.619 -1.633 0.333 0.00 0.00 H+0 HETATM 87 H UNK 0 6.556 -2.774 0.668 0.00 0.00 H+0 HETATM 88 H UNK 0 7.878 -3.515 -1.209 0.00 0.00 H+0 HETATM 89 H UNK 0 8.188 -5.070 -3.134 0.00 0.00 H+0 HETATM 90 H UNK 0 6.661 -5.889 -2.720 0.00 0.00 H+0 HETATM 91 H UNK 0 5.656 -3.821 -2.889 0.00 0.00 H+0 HETATM 92 H UNK 0 7.585 -6.487 -0.419 0.00 0.00 H+0 HETATM 93 H UNK 0 9.860 -6.218 -0.096 0.00 0.00 H+0 HETATM 94 H UNK 0 8.744 -4.186 1.240 0.00 0.00 H+0 HETATM 95 H UNK 0 8.482 -5.834 2.846 0.00 0.00 H+0 HETATM 96 H UNK 0 6.085 -5.666 1.640 0.00 0.00 H+0 HETATM 97 H UNK 0 5.820 -3.970 3.153 0.00 0.00 H+0 HETATM 98 H UNK 0 4.323 -0.010 2.070 0.00 0.00 H+0 HETATM 99 H UNK 0 3.450 0.119 3.592 0.00 0.00 H+0 HETATM 100 H UNK 0 1.342 0.498 2.500 0.00 0.00 H+0 HETATM 101 H UNK 0 2.495 1.732 1.997 0.00 0.00 H+0 HETATM 102 H UNK 0 4.138 0.267 -0.115 0.00 0.00 H+0 HETATM 103 H UNK 0 3.081 0.555 -1.489 0.00 0.00 H+0 HETATM 104 H UNK 0 3.380 1.826 -0.312 0.00 0.00 H+0 HETATM 105 H UNK 0 1.140 2.104 -0.410 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.763 0.456 1.276 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.023 2.005 1.666 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.413 2.124 0.990 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.666 6.123 -0.171 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.063 6.455 1.466 0.00 0.00 H+0 HETATM 111 H UNK 0 0.043 5.769 0.258 0.00 0.00 H+0 HETATM 112 H UNK 0 -3.277 -0.368 -1.510 0.00 0.00 H+0 HETATM 113 H UNK 0 -3.496 0.249 0.115 0.00 0.00 H+0 HETATM 114 H UNK 0 -2.014 -0.588 -0.310 0.00 0.00 H+0 CONECT 1 2 53 54 55 CONECT 2 4 1 3 CONECT 3 2 CONECT 4 5 2 CONECT 5 6 4 56 57 CONECT 6 14 5 7 58 CONECT 7 6 8 59 60 CONECT 8 7 10 9 61 CONECT 9 8 62 CONECT 10 8 11 63 CONECT 11 10 12 13 CONECT 12 11 64 65 66 CONECT 13 11 67 68 69 CONECT 14 15 51 6 70 CONECT 15 16 14 71 72 CONECT 16 17 15 73 74 CONECT 17 18 51 16 19 CONECT 18 17 75 76 77 CONECT 19 20 44 17 CONECT 20 21 19 78 CONECT 21 22 20 79 80 CONECT 22 81 23 42 21 CONECT 23 25 24 38 22 CONECT 24 23 82 83 84 CONECT 25 23 26 85 86 CONECT 26 25 27 CONECT 27 28 36 26 87 CONECT 28 29 27 CONECT 29 32 28 30 88 CONECT 30 31 29 89 90 CONECT 31 30 91 CONECT 32 29 33 34 92 CONECT 33 32 93 CONECT 34 35 36 32 94 CONECT 35 34 95 CONECT 36 37 27 34 96 CONECT 37 36 97 CONECT 38 40 23 39 CONECT 39 38 CONECT 40 38 41 98 99 CONECT 41 40 42 100 101 CONECT 42 43 41 22 44 CONECT 43 42 102 103 104 CONECT 44 42 19 45 105 CONECT 45 46 44 106 107 CONECT 46 51 45 47 108 CONECT 47 46 48 CONECT 48 47 49 50 CONECT 49 48 109 110 111 CONECT 50 48 CONECT 51 46 52 17 14 CONECT 52 51 112 113 114 CONECT 53 1 CONECT 54 1 CONECT 55 1 CONECT 56 5 CONECT 57 5 CONECT 58 6 CONECT 59 7 CONECT 60 7 CONECT 61 8 CONECT 62 9 CONECT 63 10 CONECT 64 12 CONECT 65 12 CONECT 66 12 CONECT 67 13 CONECT 68 13 CONECT 69 13 CONECT 70 14 CONECT 71 15 CONECT 72 15 CONECT 73 16 CONECT 74 16 CONECT 75 18 CONECT 76 18 CONECT 77 18 CONECT 78 20 CONECT 79 21 CONECT 80 21 CONECT 81 22 CONECT 82 24 CONECT 83 24 CONECT 84 24 CONECT 85 25 CONECT 86 25 CONECT 87 27 CONECT 88 29 CONECT 89 30 CONECT 90 30 CONECT 91 31 CONECT 92 32 CONECT 93 33 CONECT 94 34 CONECT 95 35 CONECT 96 36 CONECT 97 37 CONECT 98 40 CONECT 99 40 CONECT 100 41 CONECT 101 41 CONECT 102 43 CONECT 103 43 CONECT 104 43 CONECT 105 44 CONECT 106 45 CONECT 107 45 CONECT 108 46 CONECT 109 49 CONECT 110 49 CONECT 111 49 CONECT 112 52 CONECT 113 52 CONECT 114 52 MASTER 0 0 0 0 0 0 0 0 114 0 236 0 END