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 16.978 2.365 2.336 0.00 0.00 C+0 HETATM 2 O UNK 0 16.469 1.969 1.095 0.00 0.00 O+0 HETATM 3 C UNK 0 15.089 1.810 1.241 0.00 0.00 C+0 HETATM 4 C UNK 0 14.327 2.733 0.310 0.00 0.00 C+0 HETATM 5 C UNK 0 14.820 4.164 0.400 0.00 0.00 C+0 HETATM 6 O UNK 0 12.987 2.701 0.714 0.00 0.00 O+0 HETATM 7 C UNK 0 12.434 1.460 0.364 0.00 0.00 C+0 HETATM 8 O UNK 0 11.100 1.420 0.665 0.00 0.00 O+0 HETATM 9 C UNK 0 10.253 1.378 -0.410 0.00 0.00 C+0 HETATM 10 C UNK 0 9.424 0.104 -0.505 0.00 0.00 C+0 HETATM 11 C UNK 0 10.360 -1.050 -0.760 0.00 0.00 C+0 HETATM 12 O UNK 0 8.644 0.238 -1.668 0.00 0.00 O+0 HETATM 13 C UNK 0 7.469 0.964 -1.360 0.00 0.00 C+0 HETATM 14 O UNK 0 6.472 0.138 -0.942 0.00 0.00 O+0 HETATM 15 C UNK 0 5.325 0.052 -1.659 0.00 0.00 C+0 HETATM 16 C UNK 0 4.028 0.314 -0.927 0.00 0.00 C+0 HETATM 17 C UNK 0 3.490 -1.030 -0.542 0.00 0.00 C+0 HETATM 18 O UNK 0 2.497 -1.069 0.398 0.00 0.00 O+0 HETATM 19 C UNK 0 1.407 -1.867 -0.039 0.00 0.00 C+0 HETATM 20 C UNK 0 1.586 -3.157 0.823 0.00 0.00 C+0 HETATM 21 C UNK 0 1.985 -2.811 2.224 0.00 0.00 C+0 HETATM 22 C UNK 0 0.427 -4.067 0.811 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.912 -3.309 1.018 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.904 -4.294 1.364 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.905 -2.382 -0.111 0.00 0.00 C+0 HETATM 26 C UNK 0 0.109 -1.335 0.333 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.363 -0.032 0.012 0.00 0.00 C+0 HETATM 28 C UNK 0 -1.649 0.200 0.048 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.673 -0.914 0.432 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.608 -0.103 1.057 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.049 0.890 2.130 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.899 0.035 0.952 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.729 -1.061 0.626 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.992 -0.466 -0.047 0.00 0.00 C+0 HETATM 35 O UNK 0 -8.028 -0.840 0.847 0.00 0.00 O+0 HETATM 36 C UNK 0 -8.741 0.245 1.355 0.00 0.00 C+0 HETATM 37 C UNK 0 -10.142 0.067 0.889 0.00 0.00 C+0 HETATM 38 C UNK 0 -11.241 0.617 1.715 0.00 0.00 C+0 HETATM 39 C UNK 0 -12.399 -0.383 1.649 0.00 0.00 C+0 HETATM 40 N UNK 0 -11.773 1.856 1.163 0.00 0.00 N+1 HETATM 41 O UNK 0 -11.720 2.885 1.852 0.00 0.00 O+0 HETATM 42 O UNK 0 -12.328 1.931 -0.085 0.00 0.00 O-1 HETATM 43 C UNK 0 -10.809 0.861 3.118 0.00 0.00 C+0 HETATM 44 N UNK 0 -11.856 0.630 4.083 0.00 0.00 N+0 HETATM 45 O UNK 0 -12.897 1.491 3.822 0.00 0.00 O+0 HETATM 46 C UNK 0 -13.613 2.075 4.858 0.00 0.00 C+0 HETATM 47 C UNK 0 -14.750 3.019 4.648 0.00 0.00 C+0 HETATM 48 O UNK 0 -13.249 1.762 6.044 0.00 0.00 O+0 HETATM 49 C UNK 0 -9.605 0.039 3.513 0.00 0.00 C+0 HETATM 50 C UNK 0 -9.887 -1.423 3.657 0.00 0.00 C+0 HETATM 51 O UNK 0 -8.526 0.246 2.704 0.00 0.00 O+0 HETATM 52 C UNK 0 -7.384 -1.087 -1.309 0.00 0.00 C+0 HETATM 53 C UNK 0 -8.183 -2.375 -1.317 0.00 0.00 C+0 HETATM 54 C UNK 0 -7.105 -0.615 -2.533 0.00 0.00 C+0 HETATM 55 C UNK 0 -6.302 0.561 -2.767 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.647 1.394 -3.953 0.00 0.00 C+0 HETATM 57 C UNK 0 -5.849 2.489 -4.002 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.064 3.405 -5.111 0.00 0.00 C+0 HETATM 59 O UNK 0 -6.945 3.177 -5.966 0.00 0.00 O+0 HETATM 60 C UNK 0 -4.813 2.811 -3.023 0.00 0.00 C+0 HETATM 61 C UNK 0 -3.667 3.460 -3.772 0.00 0.00 C+0 HETATM 62 C UNK 0 -4.257 1.616 -2.231 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.838 0.432 -2.853 0.00 0.00 C+0 HETATM 64 O UNK 0 -4.185 0.514 -4.163 0.00 0.00 O+0 HETATM 65 C UNK 0 -2.817 0.343 -3.760 0.00 0.00 C+0 HETATM 66 O UNK 0 -1.776 0.895 -4.193 0.00 0.00 O+0 HETATM 67 C UNK 0 -2.924 -0.691 -2.666 0.00 0.00 C+0 HETATM 68 C UNK 0 -1.952 -1.177 -1.933 0.00 0.00 C+0 HETATM 69 O UNK 0 -0.686 -1.082 -2.457 0.00 0.00 O+0 HETATM 70 C UNK 0 -2.253 -1.816 -0.564 0.00 0.00 C+0 HETATM 71 C UNK 0 -2.907 -3.070 -1.034 0.00 0.00 C+0 HETATM 72 C UNK 0 -4.322 -0.955 -2.634 0.00 0.00 C+0 HETATM 73 O UNK 0 -5.223 -1.826 -2.513 0.00 0.00 O+0 HETATM 74 O UNK 0 4.562 -1.896 -0.178 0.00 0.00 O+0 HETATM 75 C UNK 0 5.201 -2.354 -1.337 0.00 0.00 C+0 HETATM 76 C UNK 0 4.478 -3.612 -1.781 0.00 0.00 C+0 HETATM 77 C UNK 0 5.236 -1.294 -2.400 0.00 0.00 C+0 HETATM 78 O UNK 0 6.311 -1.487 -3.232 0.00 0.00 O+0 HETATM 79 C UNK 0 7.859 1.923 -0.282 0.00 0.00 C+0 HETATM 80 C UNK 0 9.243 2.509 -0.456 0.00 0.00 C+0 HETATM 81 O UNK 0 9.438 3.412 0.580 0.00 0.00 O+0 HETATM 82 C UNK 0 13.156 0.321 0.984 0.00 0.00 C+0 HETATM 83 C UNK 0 14.650 0.405 0.970 0.00 0.00 C+0 HETATM 84 O UNK 0 15.214 -0.076 -0.214 0.00 0.00 O+0 HETATM 85 H UNK 0 18.084 2.509 2.280 0.00 0.00 H+0 HETATM 86 H UNK 0 16.530 3.273 2.741 0.00 0.00 H+0 HETATM 87 H UNK 0 16.830 1.553 3.102 0.00 0.00 H+0 HETATM 88 H UNK 0 14.749 2.047 2.280 0.00 0.00 H+0 HETATM 89 H UNK 0 14.420 2.324 -0.713 0.00 0.00 H+0 HETATM 90 H UNK 0 14.941 4.504 1.428 0.00 0.00 H+0 HETATM 91 H UNK 0 15.830 4.191 -0.088 0.00 0.00 H+0 HETATM 92 H UNK 0 14.160 4.781 -0.238 0.00 0.00 H+0 HETATM 93 H UNK 0 12.540 1.390 -0.757 0.00 0.00 H+0 HETATM 94 H UNK 0 10.809 1.402 -1.393 0.00 0.00 H+0 HETATM 95 H UNK 0 8.845 -0.098 0.391 0.00 0.00 H+0 HETATM 96 H UNK 0 11.258 -0.732 -1.348 0.00 0.00 H+0 HETATM 97 H UNK 0 10.638 -1.535 0.213 0.00 0.00 H+0 HETATM 98 H UNK 0 9.872 -1.868 -1.350 0.00 0.00 H+0 HETATM 99 H UNK 0 7.143 1.534 -2.250 0.00 0.00 H+0 HETATM 100 H UNK 0 5.378 0.780 -2.487 0.00 0.00 H+0 HETATM 101 H UNK 0 4.162 0.897 0.002 0.00 0.00 H+0 HETATM 102 H UNK 0 3.317 0.811 -1.617 0.00 0.00 H+0 HETATM 103 H UNK 0 3.088 -1.536 -1.455 0.00 0.00 H+0 HETATM 104 H UNK 0 1.568 -2.226 -1.060 0.00 0.00 H+0 HETATM 105 H UNK 0 2.453 -3.680 0.364 0.00 0.00 H+0 HETATM 106 H UNK 0 2.150 -1.746 2.401 0.00 0.00 H+0 HETATM 107 H UNK 0 2.852 -3.446 2.556 0.00 0.00 H+0 HETATM 108 H UNK 0 1.139 -3.112 2.902 0.00 0.00 H+0 HETATM 109 H UNK 0 0.284 -4.620 -0.139 0.00 0.00 H+0 HETATM 110 H UNK 0 0.502 -4.746 1.671 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.688 -2.744 1.988 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.725 -4.601 2.456 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.800 -5.328 0.900 0.00 0.00 H+0 HETATM 114 H UNK 0 -2.974 -3.979 1.430 0.00 0.00 H+0 HETATM 115 H UNK 0 -0.505 -2.884 -1.046 0.00 0.00 H+0 HETATM 116 H UNK 0 0.142 -1.298 1.491 0.00 0.00 H+0 HETATM 117 H UNK 0 0.353 0.753 -0.261 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.967 1.197 -0.207 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.175 -1.324 1.406 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.529 1.864 2.018 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.965 1.075 1.902 0.00 0.00 H+0 HETATM 122 H UNK 0 -3.081 0.425 3.113 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.317 1.054 1.129 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.041 -1.539 1.636 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.482 -1.907 0.069 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.007 0.627 -0.048 0.00 0.00 H+0 HETATM 127 H UNK 0 -8.321 1.187 0.941 0.00 0.00 H+0 HETATM 128 H UNK 0 -10.341 -1.008 0.573 0.00 0.00 H+0 HETATM 129 H UNK 0 -10.201 0.605 -0.111 0.00 0.00 H+0 HETATM 130 H UNK 0 -13.281 0.029 1.121 0.00 0.00 H+0 HETATM 131 H UNK 0 -12.736 -0.669 2.671 0.00 0.00 H+0 HETATM 132 H UNK 0 -12.115 -1.289 1.071 0.00 0.00 H+0 HETATM 133 H UNK 0 -10.496 1.926 3.198 0.00 0.00 H+0 HETATM 134 H UNK 0 -11.505 0.741 5.059 0.00 0.00 H+0 HETATM 135 H UNK 0 -15.666 2.708 5.191 0.00 0.00 H+0 HETATM 136 H UNK 0 -14.396 4.024 4.987 0.00 0.00 H+0 HETATM 137 H UNK 0 -14.913 3.120 3.556 0.00 0.00 H+0 HETATM 138 H UNK 0 -9.317 0.413 4.544 0.00 0.00 H+0 HETATM 139 H UNK 0 -10.796 -1.615 4.290 0.00 0.00 H+0 HETATM 140 H UNK 0 -9.033 -1.861 4.255 0.00 0.00 H+0 HETATM 141 H UNK 0 -9.912 -1.982 2.716 0.00 0.00 H+0 HETATM 142 H UNK 0 -9.203 -2.184 -1.705 0.00 0.00 H+0 HETATM 143 H UNK 0 -7.612 -3.125 -1.857 0.00 0.00 H+0 HETATM 144 H UNK 0 -8.300 -2.711 -0.265 0.00 0.00 H+0 HETATM 145 H UNK 0 -7.495 -1.132 -3.434 0.00 0.00 H+0 HETATM 146 H UNK 0 -6.545 1.282 -1.910 0.00 0.00 H+0 HETATM 147 H UNK 0 -7.397 1.189 -4.669 0.00 0.00 H+0 HETATM 148 H UNK 0 -5.465 4.291 -5.208 0.00 0.00 H+0 HETATM 149 H UNK 0 -5.235 3.578 -2.317 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.601 2.980 -4.789 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.874 4.538 -3.971 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.719 3.289 -3.267 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.591 1.763 -1.190 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.145 1.662 -2.240 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.405 -1.369 -3.386 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.001 -3.160 -2.170 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.279 -4.018 -0.969 0.00 0.00 H+0 HETATM 158 H UNK 0 -3.866 -3.345 -0.651 0.00 0.00 H+0 HETATM 159 H UNK 0 6.250 -2.685 -1.075 0.00 0.00 H+0 HETATM 160 H UNK 0 4.595 -4.345 -0.939 0.00 0.00 H+0 HETATM 161 H UNK 0 5.086 -4.046 -2.620 0.00 0.00 H+0 HETATM 162 H UNK 0 3.433 -3.436 -2.063 0.00 0.00 H+0 HETATM 163 H UNK 0 4.324 -1.374 -3.013 0.00 0.00 H+0 HETATM 164 H UNK 0 6.745 -2.329 -3.015 0.00 0.00 H+0 HETATM 165 H UNK 0 7.655 1.570 0.752 0.00 0.00 H+0 HETATM 166 H UNK 0 7.161 2.812 -0.396 0.00 0.00 H+0 HETATM 167 H UNK 0 9.247 3.027 -1.435 0.00 0.00 H+0 HETATM 168 H UNK 0 9.624 4.298 0.178 0.00 0.00 H+0 HETATM 169 H UNK 0 12.836 0.098 2.021 0.00 0.00 H+0 HETATM 170 H UNK 0 12.902 -0.614 0.398 0.00 0.00 H+0 HETATM 171 H UNK 0 15.047 -0.250 1.778 0.00 0.00 H+0 HETATM 172 H UNK 0 15.395 -1.052 -0.160 0.00 0.00 H+0 CONECT 1 2 85 86 87 CONECT 2 1 3 CONECT 3 2 4 83 88 CONECT 4 3 5 6 89 CONECT 5 4 90 91 92 CONECT 6 4 7 CONECT 7 6 8 82 93 CONECT 8 7 9 CONECT 9 8 10 80 94 CONECT 10 9 11 12 95 CONECT 11 10 96 97 98 CONECT 12 10 13 CONECT 13 12 14 79 99 CONECT 14 13 15 CONECT 15 14 16 77 100 CONECT 16 15 17 101 102 CONECT 17 16 18 74 103 CONECT 18 17 19 CONECT 19 18 20 26 104 CONECT 20 19 21 22 105 CONECT 21 20 106 107 108 CONECT 22 20 23 109 110 CONECT 23 22 24 25 111 CONECT 24 23 112 113 114 CONECT 25 23 26 70 115 CONECT 26 25 27 19 116 CONECT 27 26 28 117 CONECT 28 27 29 118 CONECT 29 28 30 70 119 CONECT 30 29 31 32 CONECT 31 30 120 121 122 CONECT 32 30 33 123 CONECT 33 32 34 124 125 CONECT 34 33 35 52 126 CONECT 35 34 36 CONECT 36 35 37 51 127 CONECT 37 36 38 128 129 CONECT 38 37 39 40 43 CONECT 39 38 130 131 132 CONECT 40 38 41 42 CONECT 41 40 CONECT 42 40 CONECT 43 38 44 49 133 CONECT 44 43 45 134 CONECT 45 44 46 CONECT 46 45 47 48 CONECT 47 46 135 136 137 CONECT 48 46 CONECT 49 43 50 51 138 CONECT 50 49 139 140 141 CONECT 51 49 36 CONECT 52 34 53 54 CONECT 53 52 142 143 144 CONECT 54 52 55 145 CONECT 55 54 56 63 146 CONECT 56 55 57 147 CONECT 57 56 58 60 CONECT 58 57 59 148 CONECT 59 58 CONECT 60 57 61 62 149 CONECT 61 60 150 151 152 CONECT 62 60 63 153 154 CONECT 63 62 64 55 72 CONECT 64 63 65 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 72 CONECT 68 67 69 70 CONECT 69 68 155 CONECT 70 68 71 29 25 CONECT 71 70 156 157 158 CONECT 72 67 73 63 CONECT 73 72 CONECT 74 17 75 CONECT 75 74 76 77 159 CONECT 76 75 160 161 162 CONECT 77 75 78 15 163 CONECT 78 77 164 CONECT 79 13 80 165 166 CONECT 80 79 81 9 167 CONECT 81 80 168 CONECT 82 7 83 169 170 CONECT 83 82 84 3 171 CONECT 84 83 172 CONECT 85 1 CONECT 86 1 CONECT 87 1 CONECT 88 3 CONECT 89 4 CONECT 90 5 CONECT 91 5 CONECT 92 5 CONECT 93 7 CONECT 94 9 CONECT 95 10 CONECT 96 11 CONECT 97 11 CONECT 98 11 CONECT 99 13 CONECT 100 15 CONECT 101 16 CONECT 102 16 CONECT 103 17 CONECT 104 19 CONECT 105 20 CONECT 106 21 CONECT 107 21 CONECT 108 21 CONECT 109 22 CONECT 110 22 CONECT 111 23 CONECT 112 24 CONECT 113 24 CONECT 114 24 CONECT 115 25 CONECT 116 26 CONECT 117 27 CONECT 118 28 CONECT 119 29 CONECT 120 31 CONECT 121 31 CONECT 122 31 CONECT 123 32 CONECT 124 33 CONECT 125 33 CONECT 126 34 CONECT 127 36 CONECT 128 37 CONECT 129 37 CONECT 130 39 CONECT 131 39 CONECT 132 39 CONECT 133 43 CONECT 134 44 CONECT 135 47 CONECT 136 47 CONECT 137 47 CONECT 138 49 CONECT 139 50 CONECT 140 50 CONECT 141 50 CONECT 142 53 CONECT 143 53 CONECT 144 53 CONECT 145 54 CONECT 146 55 CONECT 147 56 CONECT 148 58 CONECT 149 60 CONECT 150 61 CONECT 151 61 CONECT 152 61 CONECT 153 62 CONECT 154 62 CONECT 155 69 CONECT 156 71 CONECT 157 71 CONECT 158 71 CONECT 159 75 CONECT 160 76 CONECT 161 76 CONECT 162 76 CONECT 163 77 CONECT 164 78 CONECT 165 79 CONECT 166 79 CONECT 167 80 CONECT 168 81 CONECT 169 82 CONECT 170 82 CONECT 171 83 CONECT 172 84 MASTER 0 0 0 0 0 0 0 0 172 0 360 0 END