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 3.170 1.002 1.186 0.00 0.00 C+0 HETATM 2 C UNK 0 4.120 1.610 0.215 0.00 0.00 C+0 HETATM 3 O UNK 0 3.616 1.681 -1.085 0.00 0.00 O+0 HETATM 4 C UNK 0 3.457 0.485 -1.733 0.00 0.00 C+0 HETATM 5 O UNK 0 2.169 0.092 -1.753 0.00 0.00 O+0 HETATM 6 C UNK 0 1.563 -0.081 -2.961 0.00 0.00 C+0 HETATM 7 C UNK 0 0.256 0.534 -3.231 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.238 1.612 -2.333 0.00 0.00 C+0 HETATM 9 O UNK 0 -0.820 1.229 -1.157 0.00 0.00 O+0 HETATM 10 O UNK 0 -0.777 -0.318 -3.583 0.00 0.00 O+0 HETATM 11 C UNK 0 -0.996 -1.419 -2.843 0.00 0.00 C+0 HETATM 12 O UNK 0 -2.058 -1.369 -1.978 0.00 0.00 O+0 HETATM 13 C UNK 0 -2.955 -2.401 -2.122 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.288 -1.984 -2.722 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.338 -0.490 -2.795 0.00 0.00 C+0 HETATM 16 O UNK 0 -4.352 0.185 -1.607 0.00 0.00 O+0 HETATM 17 O UNK 0 -5.343 -2.504 -2.069 0.00 0.00 O+0 HETATM 18 C UNK 0 -5.519 -2.348 -0.732 0.00 0.00 C+0 HETATM 19 O UNK 0 -6.287 -1.197 -0.576 0.00 0.00 O+0 HETATM 20 C UNK 0 -7.455 -1.401 0.115 0.00 0.00 C+0 HETATM 21 C UNK 0 -8.672 -1.387 -0.788 0.00 0.00 C+0 HETATM 22 C UNK 0 -8.415 -0.599 -2.045 0.00 0.00 C+0 HETATM 23 O UNK 0 -9.460 -0.825 -2.985 0.00 0.00 O+0 HETATM 24 O UNK 0 -9.816 -1.058 -0.217 0.00 0.00 O+0 HETATM 25 C UNK 0 -9.977 -0.274 0.864 0.00 0.00 C+0 HETATM 26 O UNK 0 -11.162 0.477 0.829 0.00 0.00 O+0 HETATM 27 C UNK 0 -12.043 0.196 1.834 0.00 0.00 C+0 HETATM 28 C UNK 0 -12.277 1.544 2.523 0.00 0.00 C+0 HETATM 29 O UNK 0 -11.042 2.048 2.994 0.00 0.00 O+0 HETATM 30 C UNK 0 -13.242 1.505 3.652 0.00 0.00 C+0 HETATM 31 O UNK 0 -12.807 0.674 4.665 0.00 0.00 O+0 HETATM 32 C UNK 0 -13.417 -0.246 1.314 0.00 0.00 C+0 HETATM 33 O UNK 0 -14.163 -0.692 2.445 0.00 0.00 O+0 HETATM 34 C UNK 0 -13.359 -1.384 0.342 0.00 0.00 C+0 HETATM 35 O UNK 0 -14.714 -1.818 0.201 0.00 0.00 O+0 HETATM 36 C UNK 0 -13.011 -0.907 -1.033 0.00 0.00 C+0 HETATM 37 O UNK 0 -13.768 -1.069 -1.966 0.00 0.00 O+0 HETATM 38 C UNK 0 -8.765 0.459 1.246 0.00 0.00 C+0 HETATM 39 O UNK 0 -8.435 1.581 0.500 0.00 0.00 O+0 HETATM 40 C UNK 0 -7.556 -0.462 1.252 0.00 0.00 C+0 HETATM 41 O UNK 0 -7.500 -1.144 2.500 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.234 -2.401 0.018 0.00 0.00 C+0 HETATM 43 O UNK 0 -4.348 -3.271 1.149 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.155 -3.095 -0.807 0.00 0.00 C+0 HETATM 45 O UNK 0 -3.554 -4.410 -1.028 0.00 0.00 O+0 HETATM 46 C UNK 0 0.247 -1.964 -2.143 0.00 0.00 C+0 HETATM 47 O UNK 0 0.478 -1.466 -0.897 0.00 0.00 O+0 HETATM 48 C UNK 0 1.380 -1.603 -3.089 0.00 0.00 C+0 HETATM 49 O UNK 0 1.072 -1.859 -4.422 0.00 0.00 O+0 HETATM 50 C UNK 0 4.523 -0.459 -1.287 0.00 0.00 C+0 HETATM 51 O UNK 0 4.893 -1.347 -2.301 0.00 0.00 O+0 HETATM 52 C UNK 0 5.814 0.350 -1.008 0.00 0.00 C+0 HETATM 53 O UNK 0 6.050 1.254 -2.044 0.00 0.00 O+0 HETATM 54 C UNK 0 5.535 1.088 0.293 0.00 0.00 C+0 HETATM 55 N UNK 0 6.534 2.115 0.441 0.00 0.00 N+0 HETATM 56 C UNK 0 6.507 2.837 1.676 0.00 0.00 C+0 HETATM 57 C UNK 0 6.831 1.899 2.817 0.00 0.00 C+0 HETATM 58 O UNK 0 6.359 2.429 4.049 0.00 0.00 O+0 HETATM 59 C UNK 0 8.335 1.746 2.989 0.00 0.00 C+0 HETATM 60 O UNK 0 8.574 0.459 3.451 0.00 0.00 O+0 HETATM 61 C UNK 0 9.019 1.894 1.650 0.00 0.00 C+0 HETATM 62 O UNK 0 10.375 1.562 1.737 0.00 0.00 O+0 HETATM 63 C UNK 0 10.696 0.467 0.937 0.00 0.00 C+0 HETATM 64 O UNK 0 11.137 -0.577 1.752 0.00 0.00 O+0 HETATM 65 C UNK 0 10.852 -1.770 1.083 0.00 0.00 C+0 HETATM 66 C UNK 0 11.339 -2.896 1.943 0.00 0.00 C+0 HETATM 67 O UNK 0 11.099 -4.122 1.342 0.00 0.00 O+0 HETATM 68 C UNK 0 11.532 -1.744 -0.279 0.00 0.00 C+0 HETATM 69 O UNK 0 10.618 -1.706 -1.328 0.00 0.00 O+0 HETATM 70 C UNK 0 12.463 -0.569 -0.423 0.00 0.00 C+0 HETATM 71 O UNK 0 13.573 -0.736 0.407 0.00 0.00 O+0 HETATM 72 C UNK 0 11.774 0.737 -0.064 0.00 0.00 C+0 HETATM 73 O UNK 0 11.253 1.265 -1.251 0.00 0.00 O+0 HETATM 74 C UNK 0 8.860 3.307 1.181 0.00 0.00 C+0 HETATM 75 C UNK 0 10.025 4.206 1.554 0.00 0.00 C+0 HETATM 76 O UNK 0 11.188 3.734 0.989 0.00 0.00 O+0 HETATM 77 C UNK 0 7.560 3.917 1.644 0.00 0.00 C+0 HETATM 78 O UNK 0 7.236 4.941 0.752 0.00 0.00 O+0 HETATM 79 H UNK 0 2.904 1.671 2.037 0.00 0.00 H+0 HETATM 80 H UNK 0 2.190 0.782 0.669 0.00 0.00 H+0 HETATM 81 H UNK 0 3.521 0.020 1.590 0.00 0.00 H+0 HETATM 82 H UNK 0 4.193 2.702 0.515 0.00 0.00 H+0 HETATM 83 H UNK 0 3.722 0.692 -2.819 0.00 0.00 H+0 HETATM 84 H UNK 0 2.315 0.107 -3.802 0.00 0.00 H+0 HETATM 85 H UNK 0 0.409 1.104 -4.231 0.00 0.00 H+0 HETATM 86 H UNK 0 0.531 2.429 -2.174 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.051 2.159 -2.902 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.255 1.475 -0.377 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.241 -2.278 -3.551 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.518 -3.106 -2.850 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.318 -2.414 -3.775 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.299 -0.207 -3.328 0.00 0.00 H+0 HETATM 93 H UNK 0 -3.478 -0.075 -3.386 0.00 0.00 H+0 HETATM 94 H UNK 0 -4.023 1.115 -1.663 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.103 -3.238 -0.332 0.00 0.00 H+0 HETATM 96 H UNK 0 -7.340 -2.459 0.526 0.00 0.00 H+0 HETATM 97 H UNK 0 -8.781 -2.503 -1.091 0.00 0.00 H+0 HETATM 98 H UNK 0 -7.439 -0.838 -2.514 0.00 0.00 H+0 HETATM 99 H UNK 0 -8.429 0.484 -1.892 0.00 0.00 H+0 HETATM 100 H UNK 0 -9.031 -0.747 -3.880 0.00 0.00 H+0 HETATM 101 H UNK 0 -10.177 -0.978 1.751 0.00 0.00 H+0 HETATM 102 H UNK 0 -11.764 -0.515 2.590 0.00 0.00 H+0 HETATM 103 H UNK 0 -12.622 2.283 1.742 0.00 0.00 H+0 HETATM 104 H UNK 0 -11.075 3.048 2.948 0.00 0.00 H+0 HETATM 105 H UNK 0 -13.251 2.562 4.093 0.00 0.00 H+0 HETATM 106 H UNK 0 -14.254 1.274 3.334 0.00 0.00 H+0 HETATM 107 H UNK 0 -12.420 1.200 5.433 0.00 0.00 H+0 HETATM 108 H UNK 0 -14.002 0.571 0.874 0.00 0.00 H+0 HETATM 109 H UNK 0 -13.649 -1.355 2.973 0.00 0.00 H+0 HETATM 110 H UNK 0 -12.777 -2.240 0.652 0.00 0.00 H+0 HETATM 111 H UNK 0 -15.108 -1.919 1.101 0.00 0.00 H+0 HETATM 112 H UNK 0 -12.091 -0.412 -1.221 0.00 0.00 H+0 HETATM 113 H UNK 0 -8.797 0.827 2.321 0.00 0.00 H+0 HETATM 114 H UNK 0 -9.226 2.111 0.233 0.00 0.00 H+0 HETATM 115 H UNK 0 -6.605 0.161 1.283 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.483 -0.390 3.173 0.00 0.00 H+0 HETATM 117 H UNK 0 -3.908 -1.448 0.443 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.453 -2.756 1.961 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.224 -3.073 -0.217 0.00 0.00 H+0 HETATM 120 H UNK 0 -4.384 -4.653 -0.587 0.00 0.00 H+0 HETATM 121 H UNK 0 0.237 -3.086 -2.110 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.055 -1.833 -0.172 0.00 0.00 H+0 HETATM 123 H UNK 0 2.322 -2.119 -2.818 0.00 0.00 H+0 HETATM 124 H UNK 0 0.887 -2.824 -4.526 0.00 0.00 H+0 HETATM 125 H UNK 0 4.339 -1.054 -0.405 0.00 0.00 H+0 HETATM 126 H UNK 0 4.561 -0.991 -3.150 0.00 0.00 H+0 HETATM 127 H UNK 0 6.663 -0.335 -0.948 0.00 0.00 H+0 HETATM 128 H UNK 0 6.532 0.882 -2.806 0.00 0.00 H+0 HETATM 129 H UNK 0 5.623 0.291 1.077 0.00 0.00 H+0 HETATM 130 H UNK 0 6.364 2.787 -0.369 0.00 0.00 H+0 HETATM 131 H UNK 0 5.504 3.266 1.903 0.00 0.00 H+0 HETATM 132 H UNK 0 6.393 0.910 2.747 0.00 0.00 H+0 HETATM 133 H UNK 0 6.099 1.691 4.667 0.00 0.00 H+0 HETATM 134 H UNK 0 8.737 2.443 3.751 0.00 0.00 H+0 HETATM 135 H UNK 0 8.107 0.356 4.312 0.00 0.00 H+0 HETATM 136 H UNK 0 8.565 1.159 0.955 0.00 0.00 H+0 HETATM 137 H UNK 0 9.804 0.084 0.390 0.00 0.00 H+0 HETATM 138 H UNK 0 9.733 -1.850 0.960 0.00 0.00 H+0 HETATM 139 H UNK 0 10.759 -2.852 2.897 0.00 0.00 H+0 HETATM 140 H UNK 0 12.409 -2.779 2.157 0.00 0.00 H+0 HETATM 141 H UNK 0 10.747 -3.971 0.432 0.00 0.00 H+0 HETATM 142 H UNK 0 12.116 -2.667 -0.363 0.00 0.00 H+0 HETATM 143 H UNK 0 10.889 -1.028 -1.992 0.00 0.00 H+0 HETATM 144 H UNK 0 12.789 -0.536 -1.482 0.00 0.00 H+0 HETATM 145 H UNK 0 14.421 -0.766 -0.134 0.00 0.00 H+0 HETATM 146 H UNK 0 12.545 1.446 0.333 0.00 0.00 H+0 HETATM 147 H UNK 0 10.287 1.386 -1.224 0.00 0.00 H+0 HETATM 148 H UNK 0 8.795 3.272 0.059 0.00 0.00 H+0 HETATM 149 H UNK 0 10.135 4.255 2.658 0.00 0.00 H+0 HETATM 150 H UNK 0 9.813 5.206 1.133 0.00 0.00 H+0 HETATM 151 H UNK 0 11.764 4.463 0.625 0.00 0.00 H+0 HETATM 152 H UNK 0 7.644 4.412 2.640 0.00 0.00 H+0 HETATM 153 H UNK 0 6.505 5.462 1.183 0.00 0.00 H+0 CONECT 1 2 79 80 81 CONECT 2 1 3 54 82 CONECT 3 2 4 CONECT 4 3 5 50 83 CONECT 5 4 6 CONECT 6 5 7 48 84 CONECT 7 6 8 10 85 CONECT 8 7 9 86 87 CONECT 9 8 88 CONECT 10 7 11 CONECT 11 10 12 46 89 CONECT 12 11 13 CONECT 13 12 14 44 90 CONECT 14 13 15 17 91 CONECT 15 14 16 92 93 CONECT 16 15 94 CONECT 17 14 18 CONECT 18 17 19 42 95 CONECT 19 18 20 CONECT 20 19 21 40 96 CONECT 21 20 22 24 97 CONECT 22 21 23 98 99 CONECT 23 22 100 CONECT 24 21 25 CONECT 25 24 26 38 101 CONECT 26 25 27 CONECT 27 26 28 32 102 CONECT 28 27 29 30 103 CONECT 29 28 104 CONECT 30 28 31 105 106 CONECT 31 30 107 CONECT 32 27 33 34 108 CONECT 33 32 109 CONECT 34 32 35 36 110 CONECT 35 34 111 CONECT 36 34 37 112 CONECT 37 36 CONECT 38 25 39 40 113 CONECT 39 38 114 CONECT 40 38 41 20 115 CONECT 41 40 116 CONECT 42 18 43 44 117 CONECT 43 42 118 CONECT 44 42 45 13 119 CONECT 45 44 120 CONECT 46 11 47 48 121 CONECT 47 46 122 CONECT 48 46 49 6 123 CONECT 49 48 124 CONECT 50 4 51 52 125 CONECT 51 50 126 CONECT 52 50 53 54 127 CONECT 53 52 128 CONECT 54 52 55 2 129 CONECT 55 54 56 130 CONECT 56 55 57 77 131 CONECT 57 56 58 59 132 CONECT 58 57 133 CONECT 59 57 60 61 134 CONECT 60 59 135 CONECT 61 59 62 74 136 CONECT 62 61 63 CONECT 63 62 64 72 137 CONECT 64 63 65 CONECT 65 64 66 68 138 CONECT 66 65 67 139 140 CONECT 67 66 141 CONECT 68 65 69 70 142 CONECT 69 68 143 CONECT 70 68 71 72 144 CONECT 71 70 145 CONECT 72 70 73 63 146 CONECT 73 72 147 CONECT 74 61 75 77 148 CONECT 75 74 76 149 150 CONECT 76 75 151 CONECT 77 74 78 56 152 CONECT 78 77 153 CONECT 79 1 CONECT 80 1 CONECT 81 1 CONECT 82 2 CONECT 83 4 CONECT 84 6 CONECT 85 7 CONECT 86 8 CONECT 87 8 CONECT 88 9 CONECT 89 11 CONECT 90 13 CONECT 91 14 CONECT 92 15 CONECT 93 15 CONECT 94 16 CONECT 95 18 CONECT 96 20 CONECT 97 21 CONECT 98 22 CONECT 99 22 CONECT 100 23 CONECT 101 25 CONECT 102 27 CONECT 103 28 CONECT 104 29 CONECT 105 30 CONECT 106 30 CONECT 107 31 CONECT 108 32 CONECT 109 33 CONECT 110 34 CONECT 111 35 CONECT 112 36 CONECT 113 38 CONECT 114 39 CONECT 115 40 CONECT 116 41 CONECT 117 42 CONECT 118 43 CONECT 119 44 CONECT 120 45 CONECT 121 46 CONECT 122 47 CONECT 123 48 CONECT 124 49 CONECT 125 50 CONECT 126 51 CONECT 127 52 CONECT 128 53 CONECT 129 54 CONECT 130 55 CONECT 131 56 CONECT 132 57 CONECT 133 58 CONECT 134 59 CONECT 135 60 CONECT 136 61 CONECT 137 63 CONECT 138 65 CONECT 139 66 CONECT 140 66 CONECT 141 67 CONECT 142 68 CONECT 143 69 CONECT 144 70 CONECT 145 71 CONECT 146 72 CONECT 147 73 CONECT 148 74 CONECT 149 75 CONECT 150 75 CONECT 151 76 CONECT 152 77 CONECT 153 78 MASTER 0 0 0 0 0 0 0 0 153 0 316 0 END