HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -10.337 -3.240 -2.200 0.00 0.00 C+0 HETATM 2 C UNK 0 -11.507 -4.091 -1.968 0.00 0.00 C+0 HETATM 3 C UNK 0 -11.254 -5.583 -2.192 0.00 0.00 C+0 HETATM 4 C UNK 0 -12.670 -3.711 -1.616 0.00 0.00 C+0 HETATM 5 C UNK 0 -13.317 -2.483 -1.320 0.00 0.00 C+0 HETATM 6 C UNK 0 -12.746 -1.147 -1.295 0.00 0.00 C+0 HETATM 7 C UNK 0 -11.678 -0.796 -0.363 0.00 0.00 C+0 HETATM 8 C UNK 0 -11.910 -0.986 1.119 0.00 0.00 C+0 HETATM 9 C UNK 0 -10.508 -0.320 -0.707 0.00 0.00 C+0 HETATM 10 C UNK 0 -9.383 0.058 0.183 0.00 0.00 C+0 HETATM 11 C UNK 0 -9.043 1.509 0.041 0.00 0.00 C+0 HETATM 12 C UNK 0 -7.941 2.031 0.889 0.00 0.00 C+0 HETATM 13 C UNK 0 -7.851 3.539 0.510 0.00 0.00 C+0 HETATM 14 O UNK 0 -6.644 1.530 0.525 0.00 0.00 O+0 HETATM 15 C UNK 0 -5.606 1.730 1.424 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.935 1.489 2.762 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.989 1.659 3.732 0.00 0.00 C+0 HETATM 18 O UNK 0 -5.329 1.412 5.065 0.00 0.00 O+0 HETATM 19 C UNK 0 -3.730 2.068 3.367 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.380 2.317 2.028 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.341 2.136 1.064 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.718 2.382 -0.260 0.00 0.00 C+0 HETATM 23 N UNK 0 -2.422 2.985 -0.009 0.00 0.00 N+0 HETATM 24 C UNK 0 -1.561 3.646 -0.940 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.528 2.982 -1.715 0.00 0.00 C+0 HETATM 26 C UNK 0 0.578 2.239 -1.088 0.00 0.00 C+0 HETATM 27 C UNK 0 0.243 0.967 -0.433 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.281 -0.003 -1.450 0.00 0.00 C+0 HETATM 29 O UNK 0 0.447 -0.959 -1.785 0.00 0.00 O+0 HETATM 30 O UNK 0 -1.525 0.119 -2.022 0.00 0.00 O+0 HETATM 31 N UNK 0 1.472 0.388 0.125 0.00 0.00 N+0 HETATM 32 C UNK 0 2.731 0.164 -0.511 0.00 0.00 C+0 HETATM 33 C UNK 0 3.710 -0.117 0.604 0.00 0.00 C+0 HETATM 34 C UNK 0 3.002 -0.315 1.792 0.00 0.00 C+0 HETATM 35 C UNK 0 3.646 -0.647 2.954 0.00 0.00 C+0 HETATM 36 C UNK 0 5.018 -0.784 2.950 0.00 0.00 C+0 HETATM 37 O UNK 0 5.666 -1.126 4.144 0.00 0.00 O+0 HETATM 38 C UNK 0 5.746 -0.594 1.812 0.00 0.00 C+0 HETATM 39 C UNK 0 5.066 -0.258 0.634 0.00 0.00 C+0 HETATM 40 O UNK 0 5.841 -0.066 -0.529 0.00 0.00 O+0 HETATM 41 C UNK 0 7.045 0.709 -0.418 0.00 0.00 C+0 HETATM 42 C UNK 0 6.611 2.171 -0.583 0.00 0.00 C+0 HETATM 43 C UNK 0 8.029 0.441 -1.512 0.00 0.00 C+0 HETATM 44 C UNK 0 8.514 -0.999 -1.556 0.00 0.00 C+0 HETATM 45 C UNK 0 9.497 -1.200 -2.643 0.00 0.00 C+0 HETATM 46 C UNK 0 10.749 -1.547 -2.517 0.00 0.00 C+0 HETATM 47 C UNK 0 11.573 -1.698 -3.767 0.00 0.00 C+0 HETATM 48 C UNK 0 11.412 -1.797 -1.231 0.00 0.00 C+0 HETATM 49 C UNK 0 12.587 -0.836 -1.007 0.00 0.00 C+0 HETATM 50 C UNK 0 13.208 -1.111 0.296 0.00 0.00 C+0 HETATM 51 C UNK 0 14.452 -1.478 0.496 0.00 0.00 C+0 HETATM 52 C UNK 0 15.417 -1.663 -0.636 0.00 0.00 C+0 HETATM 53 C UNK 0 14.941 -1.721 1.897 0.00 0.00 C+0 HETATM 54 C UNK 0 7.673 0.549 0.940 0.00 0.00 C+0 HETATM 55 O UNK 0 7.358 1.645 1.726 0.00 0.00 O+0 HETATM 56 C UNK 0 7.219 -0.698 1.682 0.00 0.00 C+0 HETATM 57 C UNK 0 1.609 -0.003 1.481 0.00 0.00 C+0 HETATM 58 O UNK 0 0.662 -0.079 2.325 0.00 0.00 O+0 HETATM 59 C UNK 0 -2.188 2.832 1.406 0.00 0.00 C+0 HETATM 60 O UNK 0 -1.103 3.110 2.007 0.00 0.00 O+0 HETATM 61 C UNK 0 -7.332 1.047 3.096 0.00 0.00 C+0 HETATM 62 C UNK 0 -8.241 1.978 2.340 0.00 0.00 C+0 HETATM 63 O UNK 0 -9.557 1.621 2.626 0.00 0.00 O+0 HETATM 64 H UNK 0 -9.598 -3.736 -2.901 0.00 0.00 H+0 HETATM 65 H UNK 0 -10.642 -2.333 -2.744 0.00 0.00 H+0 HETATM 66 H UNK 0 -9.819 -3.002 -1.240 0.00 0.00 H+0 HETATM 67 H UNK 0 -10.553 -5.734 -3.016 0.00 0.00 H+0 HETATM 68 H UNK 0 -10.868 -5.943 -1.220 0.00 0.00 H+0 HETATM 69 H UNK 0 -12.236 -6.085 -2.355 0.00 0.00 H+0 HETATM 70 H UNK 0 -13.403 -4.614 -1.505 0.00 0.00 H+0 HETATM 71 H UNK 0 -14.297 -2.469 -1.975 0.00 0.00 H+0 HETATM 72 H UNK 0 -13.865 -2.617 -0.288 0.00 0.00 H+0 HETATM 73 H UNK 0 -12.404 -0.876 -2.348 0.00 0.00 H+0 HETATM 74 H UNK 0 -13.589 -0.389 -1.045 0.00 0.00 H+0 HETATM 75 H UNK 0 -11.408 -0.183 1.685 0.00 0.00 H+0 HETATM 76 H UNK 0 -13.012 -0.779 1.264 0.00 0.00 H+0 HETATM 77 H UNK 0 -11.631 -1.999 1.439 0.00 0.00 H+0 HETATM 78 H UNK 0 -10.341 -0.182 -1.790 0.00 0.00 H+0 HETATM 79 H UNK 0 -9.459 -0.290 1.208 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.490 -0.498 -0.244 0.00 0.00 H+0 HETATM 81 H UNK 0 -9.939 2.159 0.250 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.777 1.764 -1.028 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.825 3.890 0.708 0.00 0.00 H+0 HETATM 84 H UNK 0 -8.054 3.623 -0.573 0.00 0.00 H+0 HETATM 85 H UNK 0 -8.639 4.024 1.085 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.667 1.523 5.811 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.948 2.218 4.091 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.343 3.016 -0.931 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.544 1.377 -0.704 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.199 4.339 -1.614 0.00 0.00 H+0 HETATM 91 H UNK 0 -1.025 4.459 -0.322 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.102 3.777 -2.442 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.064 2.256 -2.429 0.00 0.00 H+0 HETATM 94 H UNK 0 1.384 2.055 -1.897 0.00 0.00 H+0 HETATM 95 H UNK 0 1.161 2.931 -0.397 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.467 1.068 0.374 0.00 0.00 H+0 HETATM 97 H UNK 0 -1.835 -0.573 -2.682 0.00 0.00 H+0 HETATM 98 H UNK 0 3.084 1.055 -1.096 0.00 0.00 H+0 HETATM 99 H UNK 0 2.740 -0.673 -1.230 0.00 0.00 H+0 HETATM 100 H UNK 0 3.104 -0.798 3.853 0.00 0.00 H+0 HETATM 101 H UNK 0 6.651 -1.252 4.225 0.00 0.00 H+0 HETATM 102 H UNK 0 6.243 2.286 -1.615 0.00 0.00 H+0 HETATM 103 H UNK 0 7.448 2.863 -0.347 0.00 0.00 H+0 HETATM 104 H UNK 0 5.760 2.344 0.101 0.00 0.00 H+0 HETATM 105 H UNK 0 8.900 1.132 -1.376 0.00 0.00 H+0 HETATM 106 H UNK 0 7.621 0.674 -2.521 0.00 0.00 H+0 HETATM 107 H UNK 0 7.651 -1.700 -1.654 0.00 0.00 H+0 HETATM 108 H UNK 0 8.982 -1.223 -0.591 0.00 0.00 H+0 HETATM 109 H UNK 0 9.096 -1.028 -3.659 0.00 0.00 H+0 HETATM 110 H UNK 0 12.527 -1.147 -3.704 0.00 0.00 H+0 HETATM 111 H UNK 0 11.001 -1.348 -4.664 0.00 0.00 H+0 HETATM 112 H UNK 0 11.805 -2.769 -3.912 0.00 0.00 H+0 HETATM 113 H UNK 0 11.816 -2.851 -1.276 0.00 0.00 H+0 HETATM 114 H UNK 0 10.803 -1.763 -0.336 0.00 0.00 H+0 HETATM 115 H UNK 0 13.260 -0.793 -1.860 0.00 0.00 H+0 HETATM 116 H UNK 0 12.096 0.178 -0.918 0.00 0.00 H+0 HETATM 117 H UNK 0 12.553 -0.991 1.173 0.00 0.00 H+0 HETATM 118 H UNK 0 14.848 -2.002 -1.506 0.00 0.00 H+0 HETATM 119 H UNK 0 15.987 -0.721 -0.796 0.00 0.00 H+0 HETATM 120 H UNK 0 16.166 -2.440 -0.318 0.00 0.00 H+0 HETATM 121 H UNK 0 15.851 -2.349 1.844 0.00 0.00 H+0 HETATM 122 H UNK 0 15.213 -0.753 2.374 0.00 0.00 H+0 HETATM 123 H UNK 0 14.154 -2.247 2.446 0.00 0.00 H+0 HETATM 124 H UNK 0 8.768 0.548 0.803 0.00 0.00 H+0 HETATM 125 H UNK 0 7.640 1.490 2.655 0.00 0.00 H+0 HETATM 126 H UNK 0 7.535 -1.636 1.221 0.00 0.00 H+0 HETATM 127 H UNK 0 7.667 -0.615 2.688 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.506 1.040 4.170 0.00 0.00 H+0 HETATM 129 H UNK 0 -7.461 0.029 2.678 0.00 0.00 H+0 HETATM 130 H UNK 0 -8.078 2.986 2.786 0.00 0.00 H+0 HETATM 131 H UNK 0 -9.588 0.900 3.299 0.00 0.00 H+0 CONECT 1 2 64 65 66 CONECT 2 1 3 4 CONECT 3 2 67 68 69 CONECT 4 2 5 70 CONECT 5 4 6 71 72 CONECT 6 5 7 73 74 CONECT 7 6 8 9 CONECT 8 7 75 76 77 CONECT 9 7 10 78 CONECT 10 9 11 79 80 CONECT 11 10 12 81 82 CONECT 12 11 13 14 62 CONECT 13 12 83 84 85 CONECT 14 12 15 CONECT 15 14 16 21 CONECT 16 15 17 61 CONECT 17 16 18 19 CONECT 18 17 86 CONECT 19 17 20 87 CONECT 20 19 21 59 CONECT 21 20 22 15 CONECT 22 21 23 88 89 CONECT 23 22 24 59 CONECT 24 23 25 90 91 CONECT 25 24 26 92 93 CONECT 26 25 27 94 95 CONECT 27 26 28 31 96 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 97 CONECT 31 27 32 57 CONECT 32 31 33 98 99 CONECT 33 32 34 39 CONECT 34 33 35 57 CONECT 35 34 36 100 CONECT 36 35 37 38 CONECT 37 36 101 CONECT 38 36 39 56 CONECT 39 38 40 33 CONECT 40 39 41 CONECT 41 40 42 43 54 CONECT 42 41 102 103 104 CONECT 43 41 44 105 106 CONECT 44 43 45 107 108 CONECT 45 44 46 109 CONECT 46 45 47 48 CONECT 47 46 110 111 112 CONECT 48 46 49 113 114 CONECT 49 48 50 115 116 CONECT 50 49 51 117 CONECT 51 50 52 53 CONECT 52 51 118 119 120 CONECT 53 51 121 122 123 CONECT 54 41 55 56 124 CONECT 55 54 125 CONECT 56 54 38 126 127 CONECT 57 34 58 31 CONECT 58 57 CONECT 59 23 60 20 CONECT 60 59 CONECT 61 16 62 128 129 CONECT 62 61 63 12 130 CONECT 63 62 131 CONECT 64 1 CONECT 65 1 CONECT 66 1 CONECT 67 3 CONECT 68 3 CONECT 69 3 CONECT 70 4 CONECT 71 5 CONECT 72 5 CONECT 73 6 CONECT 74 6 CONECT 75 8 CONECT 76 8 CONECT 77 8 CONECT 78 9 CONECT 79 10 CONECT 80 10 CONECT 81 11 CONECT 82 11 CONECT 83 13 CONECT 84 13 CONECT 85 13 CONECT 86 18 CONECT 87 19 CONECT 88 22 CONECT 89 22 CONECT 90 24 CONECT 91 24 CONECT 92 25 CONECT 93 25 CONECT 94 26 CONECT 95 26 CONECT 96 27 CONECT 97 30 CONECT 98 32 CONECT 99 32 CONECT 100 35 CONECT 101 37 CONECT 102 42 CONECT 103 42 CONECT 104 42 CONECT 105 43 CONECT 106 43 CONECT 107 44 CONECT 108 44 CONECT 109 45 CONECT 110 47 CONECT 111 47 CONECT 112 47 CONECT 113 48 CONECT 114 48 CONECT 115 49 CONECT 116 49 CONECT 117 50 CONECT 118 52 CONECT 119 52 CONECT 120 52 CONECT 121 53 CONECT 122 53 CONECT 123 53 CONECT 124 54 CONECT 125 55 CONECT 126 56 CONECT 127 56 CONECT 128 61 CONECT 129 61 CONECT 130 62 CONECT 131 63 MASTER 0 0 0 0 0 0 0 0 131 0 272 0 END