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 13.812 -0.326 -3.765 0.00 0.00 C+0 HETATM 2 C UNK 0 12.706 -0.603 -3.034 0.00 0.00 C+0 HETATM 3 N UNK 0 12.444 0.126 -1.896 0.00 0.00 N+0 HETATM 4 C UNK 0 11.447 0.124 -0.926 0.00 0.00 C+0 HETATM 5 O UNK 0 10.453 -0.640 -0.901 0.00 0.00 O+0 HETATM 6 C UNK 0 11.555 1.123 0.230 0.00 0.00 C+0 HETATM 7 C UNK 0 12.523 1.846 0.201 0.00 0.00 C+0 HETATM 8 N UNK 0 10.484 1.025 1.227 0.00 0.00 N+0 HETATM 9 C UNK 0 10.446 1.782 2.376 0.00 0.00 C+0 HETATM 10 O UNK 0 11.442 2.556 2.719 0.00 0.00 O+0 HETATM 11 C UNK 0 9.320 1.869 3.332 0.00 0.00 C+0 HETATM 12 C UNK 0 9.612 2.640 4.396 0.00 0.00 C+0 HETATM 13 N UNK 0 8.006 1.452 2.993 0.00 0.00 N+0 HETATM 14 C UNK 0 6.882 1.804 3.717 0.00 0.00 C+0 HETATM 15 O UNK 0 7.123 2.499 4.792 0.00 0.00 O+0 HETATM 16 C UNK 0 5.493 1.546 3.458 0.00 0.00 C+0 HETATM 17 C UNK 0 4.594 2.487 4.036 0.00 0.00 C+0 HETATM 18 C UNK 0 3.272 2.389 3.822 0.00 0.00 C+0 HETATM 19 C UNK 0 2.733 1.346 3.017 0.00 0.00 C+0 HETATM 20 C UNK 0 3.574 0.441 2.474 0.00 0.00 C+0 HETATM 21 N UNK 0 4.915 0.607 2.732 0.00 0.00 N+0 HETATM 22 C UNK 0 3.248 -0.797 1.751 0.00 0.00 C+0 HETATM 23 N UNK 0 2.315 -0.979 0.835 0.00 0.00 N+0 HETATM 24 C UNK 0 2.294 -2.242 0.437 0.00 0.00 C+0 HETATM 25 O UNK 0 3.251 -2.856 1.138 0.00 0.00 O+0 HETATM 26 C UNK 0 3.845 -2.065 1.920 0.00 0.00 C+0 HETATM 27 C UNK 0 4.994 -2.395 2.871 0.00 0.00 C+0 HETATM 28 C UNK 0 1.394 -2.859 -0.583 0.00 0.00 C+0 HETATM 29 C UNK 0 0.901 -4.047 -0.189 0.00 0.00 C+0 HETATM 30 N UNK 0 1.078 -2.411 -1.869 0.00 0.00 N+0 HETATM 31 C UNK 0 0.297 -1.403 -2.479 0.00 0.00 C+0 HETATM 32 O UNK 0 0.830 -0.206 -2.481 0.00 0.00 O+0 HETATM 33 C UNK 0 -1.026 -1.492 -3.126 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.163 -0.658 -4.208 0.00 0.00 C+0 HETATM 35 N UNK 0 -2.164 -2.269 -2.861 0.00 0.00 N+0 HETATM 36 C UNK 0 -2.465 -3.441 -2.168 0.00 0.00 C+0 HETATM 37 O UNK 0 -2.590 -4.535 -2.922 0.00 0.00 O+0 HETATM 38 C UNK 0 -2.688 -3.730 -0.741 0.00 0.00 C+0 HETATM 39 N UNK 0 -3.208 -2.904 0.155 0.00 0.00 N+0 HETATM 40 C UNK 0 -3.328 -3.501 1.338 0.00 0.00 C+0 HETATM 41 O UNK 0 -2.861 -4.737 1.170 0.00 0.00 O+0 HETATM 42 C UNK 0 -2.465 -4.937 -0.058 0.00 0.00 C+0 HETATM 43 C UNK 0 -1.893 -6.217 -0.610 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.875 -2.906 2.573 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.033 -2.821 3.608 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.567 -2.225 4.856 0.00 0.00 C+0 HETATM 47 N UNK 0 -5.254 -2.488 2.692 0.00 0.00 N+0 HETATM 48 C UNK 0 -6.367 -3.172 2.095 0.00 0.00 C+0 HETATM 49 O UNK 0 -7.327 -3.627 2.838 0.00 0.00 O+0 HETATM 50 C UNK 0 -6.515 -3.411 0.639 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.610 -4.684 0.062 0.00 0.00 C+0 HETATM 52 S UNK 0 -6.766 -4.248 -1.628 0.00 0.00 S+0 HETATM 53 C UNK 0 -6.700 -2.614 -1.446 0.00 0.00 C+0 HETATM 54 N UNK 0 -6.574 -2.392 -0.227 0.00 0.00 N+0 HETATM 55 C UNK 0 -6.790 -1.303 -2.472 0.00 0.00 C+0 HETATM 56 O UNK 0 -7.306 -1.975 -3.420 0.00 0.00 O+0 HETATM 57 C UNK 0 -8.417 -1.630 -4.115 0.00 0.00 C+0 HETATM 58 N UNK 0 -8.348 -0.836 -1.942 0.00 0.00 N+0 HETATM 59 C UNK 0 -8.654 0.454 -2.129 0.00 0.00 C+0 HETATM 60 O UNK 0 -9.820 0.740 -2.654 0.00 0.00 O+0 HETATM 61 C UNK 0 -7.910 1.695 -1.840 0.00 0.00 C+0 HETATM 62 N UNK 0 -6.989 1.692 -0.888 0.00 0.00 N+0 HETATM 63 C UNK 0 -6.495 2.938 -0.790 0.00 0.00 C+0 HETATM 64 O UNK 0 -7.085 3.671 -1.656 0.00 0.00 O+0 HETATM 65 C UNK 0 -7.975 2.974 -2.343 0.00 0.00 C+0 HETATM 66 C UNK 0 -8.864 3.466 -3.427 0.00 0.00 C+0 HETATM 67 C UNK 0 -5.446 3.146 0.251 0.00 0.00 C+0 HETATM 68 C UNK 0 -5.369 4.362 0.794 0.00 0.00 C+0 HETATM 69 C UNK 0 -4.407 4.764 1.835 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.709 6.030 1.416 0.00 0.00 C+0 HETATM 71 O UNK 0 -5.185 4.984 2.999 0.00 0.00 O+0 HETATM 72 N UNK 0 -4.553 2.159 0.696 0.00 0.00 N+0 HETATM 73 C UNK 0 -3.863 1.151 0.013 0.00 0.00 C+0 HETATM 74 O UNK 0 -4.182 -0.060 0.404 0.00 0.00 O+0 HETATM 75 C UNK 0 -2.872 1.201 -1.027 0.00 0.00 C+0 HETATM 76 C UNK 0 -3.382 1.690 -2.381 0.00 0.00 C+0 HETATM 77 C UNK 0 -3.407 3.173 -2.534 0.00 0.00 C+0 HETATM 78 O UNK 0 -4.577 1.108 -2.711 0.00 0.00 O+0 HETATM 79 N UNK 0 -1.638 1.936 -0.759 0.00 0.00 N+0 HETATM 80 C UNK 0 -1.258 2.567 0.422 0.00 0.00 C+0 HETATM 81 O UNK 0 -1.479 3.884 0.459 0.00 0.00 O+0 HETATM 82 C UNK 0 -0.646 2.071 1.682 0.00 0.00 C+0 HETATM 83 C UNK 0 -1.287 1.962 2.917 0.00 0.00 C+0 HETATM 84 S UNK 0 -0.015 1.536 3.953 0.00 0.00 S+0 HETATM 85 C UNK 0 1.272 1.513 2.812 0.00 0.00 C+0 HETATM 86 N UNK 0 0.650 1.826 1.701 0.00 0.00 N+0 HETATM 87 C UNK 0 11.913 -1.725 -3.500 0.00 0.00 C+0 HETATM 88 N UNK 0 12.273 -2.551 -4.588 0.00 0.00 N+0 HETATM 89 O UNK 0 10.827 -1.975 -2.882 0.00 0.00 O+0 HETATM 90 H UNK 0 14.442 0.537 -3.338 0.00 0.00 H+0 HETATM 91 H UNK 0 14.109 -0.793 -4.607 0.00 0.00 H+0 HETATM 92 H UNK 0 13.201 0.928 -1.698 0.00 0.00 H+0 HETATM 93 H UNK 0 13.414 2.414 0.049 0.00 0.00 H+0 HETATM 94 H UNK 0 12.316 2.664 1.223 0.00 0.00 H+0 HETATM 95 H UNK 0 9.742 0.316 0.986 0.00 0.00 H+0 HETATM 96 H UNK 0 10.626 3.123 4.458 0.00 0.00 H+0 HETATM 97 H UNK 0 9.012 2.870 5.234 0.00 0.00 H+0 HETATM 98 H UNK 0 7.921 0.825 2.133 0.00 0.00 H+0 HETATM 99 H UNK 0 4.974 3.289 4.650 0.00 0.00 H+0 HETATM 100 H UNK 0 2.594 3.127 4.309 0.00 0.00 H+0 HETATM 101 H UNK 0 5.914 -2.451 2.245 0.00 0.00 H+0 HETATM 102 H UNK 0 4.752 -3.359 3.348 0.00 0.00 H+0 HETATM 103 H UNK 0 5.116 -1.584 3.604 0.00 0.00 H+0 HETATM 104 H UNK 0 1.133 -4.491 0.755 0.00 0.00 H+0 HETATM 105 H UNK 0 0.275 -4.592 -0.844 0.00 0.00 H+0 HETATM 106 H UNK 0 1.604 -3.020 -2.690 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.334 -0.035 -4.487 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.073 -0.596 -4.781 0.00 0.00 H+0 HETATM 109 H UNK 0 -3.120 -1.885 -3.361 0.00 0.00 H+0 HETATM 110 H UNK 0 -2.758 -6.913 -0.827 0.00 0.00 H+0 HETATM 111 H UNK 0 -1.446 -6.013 -1.589 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.265 -6.698 0.130 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.017 -3.167 3.600 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.773 -1.141 4.782 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.895 -2.345 5.725 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.500 -2.800 5.152 0.00 0.00 H+0 HETATM 117 H UNK 0 -5.452 -1.652 3.275 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.610 -5.673 0.528 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.440 -0.644 -1.716 0.00 0.00 H+0 HETATM 120 H UNK 0 -9.334 -1.611 -3.439 0.00 0.00 H+0 HETATM 121 H UNK 0 -8.328 -0.602 -4.558 0.00 0.00 H+0 HETATM 122 H UNK 0 -8.714 -2.276 -4.943 0.00 0.00 H+0 HETATM 123 H UNK 0 -8.773 -1.624 -1.556 0.00 0.00 H+0 HETATM 124 H UNK 0 -8.682 4.551 -3.530 0.00 0.00 H+0 HETATM 125 H UNK 0 -8.684 2.984 -4.394 0.00 0.00 H+0 HETATM 126 H UNK 0 -9.941 3.392 -3.117 0.00 0.00 H+0 HETATM 127 H UNK 0 -6.090 5.118 0.431 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.669 3.993 2.012 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.350 5.906 0.348 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.771 6.184 2.004 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.372 6.903 1.448 0.00 0.00 H+0 HETATM 132 H UNK 0 -6.165 4.880 2.782 0.00 0.00 H+0 HETATM 133 H UNK 0 -4.391 2.204 1.777 0.00 0.00 H+0 HETATM 134 H UNK 0 -2.481 0.146 -1.240 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.645 1.339 -3.182 0.00 0.00 H+0 HETATM 136 H UNK 0 -3.356 3.724 -1.591 0.00 0.00 H+0 HETATM 137 H UNK 0 -4.368 3.460 -3.040 0.00 0.00 H+0 HETATM 138 H UNK 0 -2.611 3.547 -3.266 0.00 0.00 H+0 HETATM 139 H UNK 0 -5.132 1.650 -3.333 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.980 2.007 -1.600 0.00 0.00 H+0 HETATM 141 H UNK 0 -2.345 2.149 3.124 0.00 0.00 H+0 HETATM 142 H UNK 0 11.827 -3.475 -4.803 0.00 0.00 H+0 HETATM 143 H UNK 0 13.042 -2.256 -5.258 0.00 0.00 H+0 CONECT 1 2 90 91 CONECT 2 1 3 87 CONECT 3 2 4 92 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 8 CONECT 7 6 93 94 CONECT 8 6 9 95 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 12 13 CONECT 12 11 96 97 CONECT 13 11 14 98 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 21 CONECT 17 16 18 99 CONECT 18 17 19 100 CONECT 19 18 20 85 CONECT 20 19 21 22 CONECT 21 20 16 CONECT 22 20 23 26 CONECT 23 22 24 CONECT 24 23 25 28 CONECT 25 24 26 CONECT 26 25 27 22 CONECT 27 26 101 102 103 CONECT 28 24 29 30 CONECT 29 28 104 105 CONECT 30 28 31 106 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 CONECT 34 33 107 108 CONECT 35 33 36 109 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 42 CONECT 39 38 40 CONECT 40 39 41 44 CONECT 41 40 42 CONECT 42 41 43 38 CONECT 43 42 110 111 112 CONECT 44 40 45 47 CONECT 45 44 46 113 CONECT 46 45 114 115 116 CONECT 47 44 48 117 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 54 CONECT 51 50 52 118 CONECT 52 51 53 CONECT 53 52 54 55 CONECT 54 53 50 CONECT 55 53 56 58 119 CONECT 56 55 57 CONECT 57 56 120 121 122 CONECT 58 55 59 123 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 65 CONECT 62 61 63 CONECT 63 62 64 67 CONECT 64 63 65 CONECT 65 64 66 61 CONECT 66 65 124 125 126 CONECT 67 63 68 72 CONECT 68 67 69 127 CONECT 69 68 70 71 128 CONECT 70 69 129 130 131 CONECT 71 69 132 CONECT 72 67 73 133 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 79 134 CONECT 76 75 77 78 135 CONECT 77 76 136 137 138 CONECT 78 76 139 CONECT 79 75 80 140 CONECT 80 79 81 82 CONECT 81 80 CONECT 82 80 83 86 CONECT 83 82 84 141 CONECT 84 83 85 CONECT 85 84 86 19 CONECT 86 85 82 CONECT 87 2 88 89 CONECT 88 87 142 143 CONECT 89 87 CONECT 90 1 CONECT 91 1 CONECT 92 3 CONECT 93 7 CONECT 94 7 CONECT 95 8 CONECT 96 12 CONECT 97 12 CONECT 98 13 CONECT 99 17 CONECT 100 18 CONECT 101 27 CONECT 102 27 CONECT 103 27 CONECT 104 29 CONECT 105 29 CONECT 106 30 CONECT 107 34 CONECT 108 34 CONECT 109 35 CONECT 110 43 CONECT 111 43 CONECT 112 43 CONECT 113 45 CONECT 114 46 CONECT 115 46 CONECT 116 46 CONECT 117 47 CONECT 118 51 CONECT 119 55 CONECT 120 57 CONECT 121 57 CONECT 122 57 CONECT 123 58 CONECT 124 66 CONECT 125 66 CONECT 126 66 CONECT 127 68 CONECT 128 69 CONECT 129 70 CONECT 130 70 CONECT 131 70 CONECT 132 71 CONECT 133 72 CONECT 134 75 CONECT 135 76 CONECT 136 77 CONECT 137 77 CONECT 138 77 CONECT 139 78 CONECT 140 79 CONECT 141 83 CONECT 142 88 CONECT 143 88 MASTER 0 0 0 0 0 0 0 0 143 0 298 0 END