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 2.789 0.620 -4.197 0.00 0.00 C+0 HETATM 2 C UNK 0 1.981 1.464 -3.279 0.00 0.00 C+0 HETATM 3 C UNK 0 1.182 0.915 -2.349 0.00 0.00 C+0 HETATM 4 N UNK 0 1.154 -0.517 -2.295 0.00 0.00 N+0 HETATM 5 C UNK 0 1.050 -1.315 -1.134 0.00 0.00 C+0 HETATM 6 O UNK 0 0.045 -2.128 -1.099 0.00 0.00 O+0 HETATM 7 C UNK 0 1.910 -1.371 0.044 0.00 0.00 C+0 HETATM 8 N UNK 0 2.900 -0.367 0.202 0.00 0.00 N+0 HETATM 9 C UNK 0 4.237 -0.547 -0.310 0.00 0.00 C+0 HETATM 10 O UNK 0 4.421 -1.648 -0.934 0.00 0.00 O+0 HETATM 11 C UNK 0 5.315 0.405 -0.160 0.00 0.00 C+0 HETATM 12 N UNK 0 6.117 0.691 -1.305 0.00 0.00 N+0 HETATM 13 C UNK 0 7.558 0.467 -1.258 0.00 0.00 C+0 HETATM 14 O UNK 0 7.977 0.005 -0.205 0.00 0.00 O+0 HETATM 15 C UNK 0 8.363 0.821 -2.442 0.00 0.00 C+0 HETATM 16 C UNK 0 7.778 0.289 -3.719 0.00 0.00 C+0 HETATM 17 N UNK 0 9.749 0.679 -2.398 0.00 0.00 N+0 HETATM 18 C UNK 0 10.593 0.239 -1.385 0.00 0.00 C+0 HETATM 19 O UNK 0 10.334 -0.192 -0.250 0.00 0.00 O+0 HETATM 20 C UNK 0 12.103 0.292 -1.679 0.00 0.00 C+0 HETATM 21 C UNK 0 12.874 -0.344 -0.598 0.00 0.00 C+0 HETATM 22 C UNK 0 12.742 0.145 0.799 0.00 0.00 C+0 HETATM 23 C UNK 0 13.706 -1.360 -0.842 0.00 0.00 C+0 HETATM 24 Cl UNK 0 14.631 -2.147 0.380 0.00 0.00 Cl+0 HETATM 25 C UNK 0 5.038 1.670 0.599 0.00 0.00 C+0 HETATM 26 C UNK 0 4.631 1.508 2.020 0.00 0.00 C+0 HETATM 27 C UNK 0 4.079 2.608 -0.092 0.00 0.00 C+0 HETATM 28 C UNK 0 1.122 -1.624 1.326 0.00 0.00 C+0 HETATM 29 C UNK 0 1.954 -2.596 2.142 0.00 0.00 C+0 HETATM 30 O UNK 0 0.816 -0.454 1.976 0.00 0.00 O+0 HETATM 31 C UNK 0 0.299 -0.013 3.097 0.00 0.00 C+0 HETATM 32 O UNK 0 1.018 0.436 4.064 0.00 0.00 O+0 HETATM 33 C UNK 0 -1.190 0.016 3.364 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.523 -1.106 4.295 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.203 -2.480 3.820 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.757 -0.868 5.615 0.00 0.00 C+0 HETATM 37 N UNK 0 -1.942 0.070 2.133 0.00 0.00 N+0 HETATM 38 C UNK 0 -3.207 0.515 1.826 0.00 0.00 C+0 HETATM 39 O UNK 0 -3.365 1.649 1.224 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.547 -0.118 2.079 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.561 -1.591 2.034 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.853 -2.180 2.347 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.218 -2.310 3.686 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.401 -2.902 4.043 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.285 -3.397 3.120 0.00 0.00 C+0 HETATM 46 O UNK 0 -9.491 -3.998 3.510 0.00 0.00 O+0 HETATM 47 C UNK 0 -7.937 -3.277 1.795 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.726 -2.671 1.421 0.00 0.00 C+0 HETATM 49 N UNK 0 -5.602 0.596 1.406 0.00 0.00 N+0 HETATM 50 C UNK 0 -6.809 0.786 2.283 0.00 0.00 C+0 HETATM 51 C UNK 0 -5.712 1.189 0.155 0.00 0.00 C+0 HETATM 52 O UNK 0 -5.998 2.497 0.313 0.00 0.00 O+0 HETATM 53 C UNK 0 -5.624 0.867 -1.258 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.559 -0.217 -1.775 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.976 0.204 -1.580 0.00 0.00 C+0 HETATM 56 C UNK 0 -8.541 0.956 -2.605 0.00 0.00 C+0 HETATM 57 C UNK 0 -9.842 1.432 -2.579 0.00 0.00 C+0 HETATM 58 C UNK 0 -10.612 1.147 -1.492 0.00 0.00 C+0 HETATM 59 C UNK 0 -10.055 0.396 -0.462 0.00 0.00 C+0 HETATM 60 C UNK 0 -8.758 -0.065 -0.511 0.00 0.00 C+0 HETATM 61 N UNK 0 -4.363 0.874 -1.923 0.00 0.00 N+0 HETATM 62 C UNK 0 -3.065 0.443 -1.580 0.00 0.00 C+0 HETATM 63 O UNK 0 -2.637 -0.640 -1.107 0.00 0.00 O+0 HETATM 64 C UNK 0 -2.065 1.546 -1.869 0.00 0.00 C+0 HETATM 65 C UNK 0 -1.795 1.416 -3.345 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.086 0.987 -4.006 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.311 1.511 -3.284 0.00 0.00 C+0 HETATM 68 O UNK 0 -5.390 1.220 -4.045 0.00 0.00 O+0 HETATM 69 N UNK 0 -0.927 1.621 -1.055 0.00 0.00 N+0 HETATM 70 C UNK 0 0.427 1.806 -1.489 0.00 0.00 C+0 HETATM 71 O UNK 0 1.074 2.848 -1.107 0.00 0.00 O+0 HETATM 72 H UNK 0 3.269 -0.222 -3.655 0.00 0.00 H+0 HETATM 73 H UNK 0 2.131 0.270 -5.018 0.00 0.00 H+0 HETATM 74 H UNK 0 3.540 1.276 -4.685 0.00 0.00 H+0 HETATM 75 H UNK 0 2.027 2.567 -3.350 0.00 0.00 H+0 HETATM 76 H UNK 0 1.211 -0.978 -3.264 0.00 0.00 H+0 HETATM 77 H UNK 0 2.499 -2.338 -0.111 0.00 0.00 H+0 HETATM 78 H UNK 0 2.687 0.552 0.698 0.00 0.00 H+0 HETATM 79 H UNK 0 6.060 -0.148 0.559 0.00 0.00 H+0 HETATM 80 H UNK 0 5.665 1.056 -2.174 0.00 0.00 H+0 HETATM 81 H UNK 0 8.162 1.991 -2.457 0.00 0.00 H+0 HETATM 82 H UNK 0 7.656 -0.829 -3.688 0.00 0.00 H+0 HETATM 83 H UNK 0 8.444 0.519 -4.586 0.00 0.00 H+0 HETATM 84 H UNK 0 6.820 0.792 -3.960 0.00 0.00 H+0 HETATM 85 H UNK 0 10.252 0.970 -3.326 0.00 0.00 H+0 HETATM 86 H UNK 0 12.272 -0.200 -2.631 0.00 0.00 H+0 HETATM 87 H UNK 0 12.381 1.375 -1.783 0.00 0.00 H+0 HETATM 88 H UNK 0 12.619 -0.687 1.520 0.00 0.00 H+0 HETATM 89 H UNK 0 13.726 0.639 1.058 0.00 0.00 H+0 HETATM 90 H UNK 0 11.937 0.925 0.898 0.00 0.00 H+0 HETATM 91 H UNK 0 13.783 -1.692 -1.900 0.00 0.00 H+0 HETATM 92 H UNK 0 6.027 2.248 0.638 0.00 0.00 H+0 HETATM 93 H UNK 0 5.415 1.907 2.745 0.00 0.00 H+0 HETATM 94 H UNK 0 4.420 0.477 2.327 0.00 0.00 H+0 HETATM 95 H UNK 0 3.698 2.082 2.205 0.00 0.00 H+0 HETATM 96 H UNK 0 3.230 2.886 0.599 0.00 0.00 H+0 HETATM 97 H UNK 0 4.552 3.595 -0.365 0.00 0.00 H+0 HETATM 98 H UNK 0 3.732 2.164 -1.038 0.00 0.00 H+0 HETATM 99 H UNK 0 0.241 -2.216 0.978 0.00 0.00 H+0 HETATM 100 H UNK 0 1.393 -3.530 2.374 0.00 0.00 H+0 HETATM 101 H UNK 0 2.119 -2.107 3.149 0.00 0.00 H+0 HETATM 102 H UNK 0 2.943 -2.771 1.713 0.00 0.00 H+0 HETATM 103 H UNK 0 -1.368 0.940 4.028 0.00 0.00 H+0 HETATM 104 H UNK 0 -2.584 -1.100 4.616 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.306 -2.492 2.722 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.149 -2.708 4.064 0.00 0.00 H+0 HETATM 107 H UNK 0 -1.888 -3.255 4.255 0.00 0.00 H+0 HETATM 108 H UNK 0 -1.291 -1.365 6.447 0.00 0.00 H+0 HETATM 109 H UNK 0 0.257 -1.307 5.554 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.764 0.223 5.816 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.359 -0.298 1.291 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.648 0.103 3.208 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.146 -2.015 1.079 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.816 -1.942 2.805 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.536 -1.920 4.422 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.686 -3.001 5.104 0.00 0.00 H+0 HETATM 117 H UNK 0 -10.272 -3.350 3.593 0.00 0.00 H+0 HETATM 118 H UNK 0 -8.633 -3.676 1.063 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.480 -2.616 0.373 0.00 0.00 H+0 HETATM 120 H UNK 0 -7.443 -0.085 2.303 0.00 0.00 H+0 HETATM 121 H UNK 0 -6.461 0.914 3.357 0.00 0.00 H+0 HETATM 122 H UNK 0 -7.319 1.732 2.065 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.224 1.777 -1.785 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.311 -1.205 -1.403 0.00 0.00 H+0 HETATM 125 H UNK 0 -6.441 -0.331 -2.882 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.984 1.217 -3.499 0.00 0.00 H+0 HETATM 127 H UNK 0 -10.228 2.021 -3.434 0.00 0.00 H+0 HETATM 128 H UNK 0 -11.638 1.517 -1.467 0.00 0.00 H+0 HETATM 129 H UNK 0 -10.715 0.205 0.378 0.00 0.00 H+0 HETATM 130 H UNK 0 -8.376 -0.650 0.289 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.577 2.558 -1.776 0.00 0.00 H+0 HETATM 132 H UNK 0 -1.072 0.626 -3.534 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.415 2.380 -3.748 0.00 0.00 H+0 HETATM 134 H UNK 0 -3.121 1.416 -5.030 0.00 0.00 H+0 HETATM 135 H UNK 0 -3.140 -0.116 -4.111 0.00 0.00 H+0 HETATM 136 H UNK 0 -4.177 2.580 -3.062 0.00 0.00 H+0 HETATM 137 H UNK 0 -5.597 1.933 -4.677 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.032 1.569 -0.010 0.00 0.00 H+0 CONECT 1 2 72 73 74 CONECT 2 1 3 75 CONECT 3 2 4 70 CONECT 4 3 5 76 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 28 77 CONECT 8 7 9 78 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 25 79 CONECT 12 11 13 80 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 17 81 CONECT 16 15 82 83 84 CONECT 17 15 18 85 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 86 87 CONECT 21 20 22 23 CONECT 22 21 88 89 90 CONECT 23 21 24 91 CONECT 24 23 CONECT 25 11 26 27 92 CONECT 26 25 93 94 95 CONECT 27 25 96 97 98 CONECT 28 7 29 30 99 CONECT 29 28 100 101 102 CONECT 30 28 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 37 103 CONECT 34 33 35 36 104 CONECT 35 34 105 106 107 CONECT 36 34 108 109 110 CONECT 37 33 38 111 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 49 112 CONECT 41 40 42 113 114 CONECT 42 41 43 48 CONECT 43 42 44 115 CONECT 44 43 45 116 CONECT 45 44 46 47 CONECT 46 45 117 CONECT 47 45 48 118 CONECT 48 47 42 119 CONECT 49 40 50 51 CONECT 50 49 120 121 122 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 54 61 123 CONECT 54 53 55 124 125 CONECT 55 54 56 60 CONECT 56 55 57 126 CONECT 57 56 58 127 CONECT 58 57 59 128 CONECT 59 58 60 129 CONECT 60 59 55 130 CONECT 61 53 62 67 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 69 131 CONECT 65 64 66 132 133 CONECT 66 65 67 134 135 CONECT 67 66 68 61 136 CONECT 68 67 137 CONECT 69 64 70 138 CONECT 70 69 71 3 CONECT 71 70 CONECT 72 1 CONECT 73 1 CONECT 74 1 CONECT 75 2 CONECT 76 4 CONECT 77 7 CONECT 78 8 CONECT 79 11 CONECT 80 12 CONECT 81 15 CONECT 82 16 CONECT 83 16 CONECT 84 16 CONECT 85 17 CONECT 86 20 CONECT 87 20 CONECT 88 22 CONECT 89 22 CONECT 90 22 CONECT 91 23 CONECT 92 25 CONECT 93 26 CONECT 94 26 CONECT 95 26 CONECT 96 27 CONECT 97 27 CONECT 98 27 CONECT 99 28 CONECT 100 29 CONECT 101 29 CONECT 102 29 CONECT 103 33 CONECT 104 34 CONECT 105 35 CONECT 106 35 CONECT 107 35 CONECT 108 36 CONECT 109 36 CONECT 110 36 CONECT 111 37 CONECT 112 40 CONECT 113 41 CONECT 114 41 CONECT 115 43 CONECT 116 44 CONECT 117 46 CONECT 118 47 CONECT 119 48 CONECT 120 50 CONECT 121 50 CONECT 122 50 CONECT 123 53 CONECT 124 54 CONECT 125 54 CONECT 126 56 CONECT 127 57 CONECT 128 58 CONECT 129 59 CONECT 130 60 CONECT 131 64 CONECT 132 65 CONECT 133 65 CONECT 134 66 CONECT 135 66 CONECT 136 67 CONECT 137 68 CONECT 138 69 MASTER 0 0 0 0 0 0 0 0 138 0 282 0 END