HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 2.416 5.627 -0.794 0.00 0.00 C+0 HETATM 2 C UNK 0 1.194 5.270 -1.552 0.00 0.00 C+0 HETATM 3 C UNK 0 0.390 4.229 -1.171 0.00 0.00 C+0 HETATM 4 N UNK 0 0.824 3.539 -0.015 0.00 0.00 N+0 HETATM 5 C UNK 0 0.941 2.138 0.193 0.00 0.00 C+0 HETATM 6 O UNK 0 0.321 1.683 1.205 0.00 0.00 O+0 HETATM 7 C UNK 0 1.694 1.181 -0.622 0.00 0.00 C+0 HETATM 8 N UNK 0 3.053 1.014 -0.138 0.00 0.00 N+0 HETATM 9 C UNK 0 4.221 1.044 -0.897 0.00 0.00 C+0 HETATM 10 O UNK 0 4.165 1.211 -2.136 0.00 0.00 O+0 HETATM 11 C UNK 0 5.549 0.884 -0.264 0.00 0.00 C+0 HETATM 12 N UNK 0 6.460 0.144 -1.137 0.00 0.00 N+0 HETATM 13 C UNK 0 7.378 -0.817 -0.548 0.00 0.00 C+0 HETATM 14 O UNK 0 7.336 -0.949 0.690 0.00 0.00 O+0 HETATM 15 C UNK 0 8.296 -1.576 -1.374 0.00 0.00 C+0 HETATM 16 C UNK 0 9.570 -2.028 -0.703 0.00 0.00 C+0 HETATM 17 C UNK 0 9.971 -1.442 0.390 0.00 0.00 C+0 HETATM 18 Cl UNK 0 11.406 -1.811 1.325 0.00 0.00 Cl+0 HETATM 19 C UNK 0 10.301 -3.143 -1.333 0.00 0.00 C+0 HETATM 20 C UNK 0 11.530 -3.600 -0.656 0.00 0.00 C+0 HETATM 21 C UNK 0 6.212 2.265 -0.119 0.00 0.00 C+0 HETATM 22 C UNK 0 6.416 2.945 -1.443 0.00 0.00 C+0 HETATM 23 C UNK 0 7.528 2.122 0.582 0.00 0.00 C+0 HETATM 24 C UNK 0 0.958 -0.169 -0.614 0.00 0.00 C+0 HETATM 25 C UNK 0 1.973 -1.232 -1.013 0.00 0.00 C+0 HETATM 26 O UNK 0 0.332 -0.336 0.576 0.00 0.00 O+0 HETATM 27 C UNK 0 0.279 -1.161 1.609 0.00 0.00 C+0 HETATM 28 O UNK 0 0.783 -0.890 2.764 0.00 0.00 O+0 HETATM 29 C UNK 0 -0.376 -2.496 1.533 0.00 0.00 C+0 HETATM 30 C UNK 0 0.716 -3.526 1.549 0.00 0.00 C+0 HETATM 31 C UNK 0 0.230 -4.953 1.472 0.00 0.00 C+0 HETATM 32 C UNK 0 1.432 -3.433 2.917 0.00 0.00 C+0 HETATM 33 N UNK 0 -1.171 -2.635 0.338 0.00 0.00 N+0 HETATM 34 C UNK 0 -2.228 -1.856 -0.125 0.00 0.00 C+0 HETATM 35 O UNK 0 -2.066 -1.393 -1.331 0.00 0.00 O+0 HETATM 36 C UNK 0 -3.494 -1.442 0.453 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.029 -2.216 1.618 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.308 -3.643 1.362 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.518 -4.075 0.813 0.00 0.00 C+0 HETATM 40 C UNK 0 -5.782 -5.398 0.597 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.853 -6.379 0.914 0.00 0.00 C+0 HETATM 42 O UNK 0 -5.164 -7.734 0.672 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.661 -5.975 1.454 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.422 -4.641 1.661 0.00 0.00 C+0 HETATM 45 N UNK 0 -4.498 -1.397 -0.621 0.00 0.00 N+0 HETATM 46 C UNK 0 -4.241 -2.269 -1.780 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.666 -0.638 -0.641 0.00 0.00 C+0 HETATM 48 O UNK 0 -6.681 -1.274 -1.152 0.00 0.00 O+0 HETATM 49 C UNK 0 -5.962 0.718 -0.201 0.00 0.00 C+0 HETATM 50 C UNK 0 -7.184 1.211 -0.996 0.00 0.00 C+0 HETATM 51 C UNK 0 -7.674 2.524 -0.713 0.00 0.00 C+0 HETATM 52 C UNK 0 -8.718 2.718 0.175 0.00 0.00 C+0 HETATM 53 C UNK 0 -9.192 4.007 0.446 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.629 5.092 -0.166 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.593 4.894 -1.047 0.00 0.00 C+0 HETATM 56 C UNK 0 -7.139 3.640 -1.304 0.00 0.00 C+0 HETATM 57 N UNK 0 -4.878 1.679 -0.179 0.00 0.00 N+0 HETATM 58 C UNK 0 -3.939 2.075 -1.120 0.00 0.00 C+0 HETATM 59 O UNK 0 -3.981 2.185 -2.405 0.00 0.00 O+0 HETATM 60 C UNK 0 -2.558 2.484 -0.709 0.00 0.00 C+0 HETATM 61 C UNK 0 -2.537 2.931 0.715 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.878 3.545 1.034 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.807 2.349 1.178 0.00 0.00 C+0 HETATM 64 O UNK 0 -5.995 2.749 1.656 0.00 0.00 O+0 HETATM 65 N UNK 0 -2.100 3.593 -1.568 0.00 0.00 N+0 HETATM 66 C UNK 0 -0.811 3.938 -1.947 0.00 0.00 C+0 HETATM 67 O UNK 0 -0.621 4.025 -3.230 0.00 0.00 O+0 HETATM 68 H UNK 0 3.168 4.802 -0.869 0.00 0.00 H+0 HETATM 69 H UNK 0 2.186 5.845 0.278 0.00 0.00 H+0 HETATM 70 H UNK 0 2.876 6.516 -1.219 0.00 0.00 H+0 HETATM 71 H UNK 0 0.929 5.845 -2.435 0.00 0.00 H+0 HETATM 72 H UNK 0 1.092 4.209 0.795 0.00 0.00 H+0 HETATM 73 H UNK 0 1.792 1.557 -1.659 0.00 0.00 H+0 HETATM 74 H UNK 0 3.119 0.852 0.898 0.00 0.00 H+0 HETATM 75 H UNK 0 5.560 0.441 0.727 0.00 0.00 H+0 HETATM 76 H UNK 0 6.506 0.249 -2.165 0.00 0.00 H+0 HETATM 77 H UNK 0 8.652 -0.915 -2.207 0.00 0.00 H+0 HETATM 78 H UNK 0 7.834 -2.499 -1.823 0.00 0.00 H+0 HETATM 79 H UNK 0 9.387 -0.595 0.788 0.00 0.00 H+0 HETATM 80 H UNK 0 10.494 -2.904 -2.421 0.00 0.00 H+0 HETATM 81 H UNK 0 9.571 -4.021 -1.322 0.00 0.00 H+0 HETATM 82 H UNK 0 11.946 -4.529 -1.198 0.00 0.00 H+0 HETATM 83 H UNK 0 12.337 -2.859 -0.637 0.00 0.00 H+0 HETATM 84 H UNK 0 11.305 -4.001 0.346 0.00 0.00 H+0 HETATM 85 H UNK 0 5.558 2.865 0.562 0.00 0.00 H+0 HETATM 86 H UNK 0 5.736 3.821 -1.536 0.00 0.00 H+0 HETATM 87 H UNK 0 7.448 3.365 -1.534 0.00 0.00 H+0 HETATM 88 H UNK 0 6.290 2.277 -2.314 0.00 0.00 H+0 HETATM 89 H UNK 0 8.254 1.529 0.003 0.00 0.00 H+0 HETATM 90 H UNK 0 7.964 3.161 0.678 0.00 0.00 H+0 HETATM 91 H UNK 0 7.415 1.660 1.589 0.00 0.00 H+0 HETATM 92 H UNK 0 0.295 -0.085 -1.509 0.00 0.00 H+0 HETATM 93 H UNK 0 1.499 -2.208 -1.245 0.00 0.00 H+0 HETATM 94 H UNK 0 2.408 -0.910 -2.005 0.00 0.00 H+0 HETATM 95 H UNK 0 2.771 -1.324 -0.276 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.002 -2.550 2.459 0.00 0.00 H+0 HETATM 97 H UNK 0 1.473 -3.415 0.764 0.00 0.00 H+0 HETATM 98 H UNK 0 1.130 -5.584 1.250 0.00 0.00 H+0 HETATM 99 H UNK 0 -0.145 -5.306 2.477 0.00 0.00 H+0 HETATM 100 H UNK 0 -0.493 -5.155 0.681 0.00 0.00 H+0 HETATM 101 H UNK 0 0.683 -3.129 3.650 0.00 0.00 H+0 HETATM 102 H UNK 0 2.201 -2.663 2.808 0.00 0.00 H+0 HETATM 103 H UNK 0 1.851 -4.428 3.198 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.889 -3.461 -0.280 0.00 0.00 H+0 HETATM 105 H UNK 0 -3.379 -0.362 0.750 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.970 -1.701 1.937 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.363 -2.169 2.505 0.00 0.00 H+0 HETATM 108 H UNK 0 -6.279 -3.371 0.543 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.726 -5.733 0.175 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.453 -8.404 0.923 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.923 -6.743 1.710 0.00 0.00 H+0 HETATM 112 H UNK 0 -2.465 -4.392 2.106 0.00 0.00 H+0 HETATM 113 H UNK 0 -5.245 -2.683 -2.052 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.568 -3.090 -1.582 0.00 0.00 H+0 HETATM 115 H UNK 0 -3.903 -1.717 -2.669 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.412 0.570 0.835 0.00 0.00 H+0 HETATM 117 H UNK 0 -7.959 0.391 -0.861 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.870 1.052 -2.074 0.00 0.00 H+0 HETATM 119 H UNK 0 -9.218 1.917 0.698 0.00 0.00 H+0 HETATM 120 H UNK 0 -10.006 4.177 1.140 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.967 6.117 0.020 0.00 0.00 H+0 HETATM 122 H UNK 0 -7.149 5.775 -1.529 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.330 3.518 -2.000 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.907 1.584 -0.831 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.382 2.058 1.391 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.785 3.729 0.906 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.180 4.222 0.218 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.848 4.141 1.967 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.311 1.672 1.895 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.170 3.701 1.787 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.955 4.162 -1.911 0.00 0.00 H+0 CONECT 1 2 68 69 70 CONECT 2 1 3 71 CONECT 3 2 4 66 CONECT 4 3 5 72 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 24 73 CONECT 8 7 9 74 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 21 75 CONECT 12 11 13 76 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 77 78 CONECT 16 15 17 19 CONECT 17 16 18 79 CONECT 18 17 CONECT 19 16 20 80 81 CONECT 20 19 82 83 84 CONECT 21 11 22 23 85 CONECT 22 21 86 87 88 CONECT 23 21 89 90 91 CONECT 24 7 25 26 92 CONECT 25 24 93 94 95 CONECT 26 24 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 33 96 CONECT 30 29 31 32 97 CONECT 31 30 98 99 100 CONECT 32 30 101 102 103 CONECT 33 29 34 104 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 45 105 CONECT 37 36 38 106 107 CONECT 38 37 39 44 CONECT 39 38 40 108 CONECT 40 39 41 109 CONECT 41 40 42 43 CONECT 42 41 110 CONECT 43 41 44 111 CONECT 44 43 38 112 CONECT 45 36 46 47 CONECT 46 45 113 114 115 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 50 57 116 CONECT 50 49 51 117 118 CONECT 51 50 52 56 CONECT 52 51 53 119 CONECT 53 52 54 120 CONECT 54 53 55 121 CONECT 55 54 56 122 CONECT 56 55 51 123 CONECT 57 49 58 63 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 61 65 124 CONECT 61 60 62 125 126 CONECT 62 61 63 127 128 CONECT 63 62 64 57 129 CONECT 64 63 130 CONECT 65 60 66 131 CONECT 66 65 67 3 CONECT 67 66 CONECT 68 1 CONECT 69 1 CONECT 70 1 CONECT 71 2 CONECT 72 4 CONECT 73 7 CONECT 74 8 CONECT 75 11 CONECT 76 12 CONECT 77 15 CONECT 78 15 CONECT 79 17 CONECT 80 19 CONECT 81 19 CONECT 82 20 CONECT 83 20 CONECT 84 20 CONECT 85 21 CONECT 86 22 CONECT 87 22 CONECT 88 22 CONECT 89 23 CONECT 90 23 CONECT 91 23 CONECT 92 24 CONECT 93 25 CONECT 94 25 CONECT 95 25 CONECT 96 29 CONECT 97 30 CONECT 98 31 CONECT 99 31 CONECT 100 31 CONECT 101 32 CONECT 102 32 CONECT 103 32 CONECT 104 33 CONECT 105 36 CONECT 106 37 CONECT 107 37 CONECT 108 39 CONECT 109 40 CONECT 110 42 CONECT 111 43 CONECT 112 44 CONECT 113 46 CONECT 114 46 CONECT 115 46 CONECT 116 49 CONECT 117 50 CONECT 118 50 CONECT 119 52 CONECT 120 53 CONECT 121 54 CONECT 122 55 CONECT 123 56 CONECT 124 60 CONECT 125 61 CONECT 126 61 CONECT 127 62 CONECT 128 62 CONECT 129 63 CONECT 130 64 CONECT 131 65 MASTER 0 0 0 0 0 0 0 0 131 0 268 0 END