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 13.415 -2.393 0.492 0.00 0.00 C+0 HETATM 2 C UNK 0 12.482 -2.162 -0.661 0.00 0.00 C+0 HETATM 3 C UNK 0 11.512 -3.255 -0.860 0.00 0.00 C+0 HETATM 4 C UNK 0 10.652 -3.632 0.265 0.00 0.00 C+0 HETATM 5 C UNK 0 9.713 -2.691 0.901 0.00 0.00 C+0 HETATM 6 C UNK 0 10.245 -1.525 1.634 0.00 0.00 C+0 HETATM 7 C UNK 0 9.157 -0.656 2.263 0.00 0.00 C+0 HETATM 8 C UNK 0 8.254 -0.054 1.272 0.00 0.00 C+0 HETATM 9 O UNK 0 8.290 -0.306 0.052 0.00 0.00 O+0 HETATM 10 N UNK 0 7.246 0.898 1.681 0.00 0.00 N+0 HETATM 11 C UNK 0 6.359 1.507 0.747 0.00 0.00 C+0 HETATM 12 C UNK 0 4.953 1.644 1.197 0.00 0.00 C+0 HETATM 13 O UNK 0 4.628 1.322 2.342 0.00 0.00 O+0 HETATM 14 N UNK 0 4.028 2.156 0.263 0.00 0.00 N+0 HETATM 15 C UNK 0 2.627 2.366 0.575 0.00 0.00 C+0 HETATM 16 C UNK 0 1.787 1.257 0.114 0.00 0.00 C+0 HETATM 17 O UNK 0 2.225 0.092 0.294 0.00 0.00 O+0 HETATM 18 N UNK 0 0.555 1.427 -0.498 0.00 0.00 N+0 HETATM 19 C UNK 0 -0.291 0.314 -0.930 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.704 0.607 -0.673 0.00 0.00 C+0 HETATM 21 O UNK 0 -1.988 1.848 -0.464 0.00 0.00 O+0 HETATM 22 N UNK 0 -2.728 -0.361 -0.643 0.00 0.00 N+0 HETATM 23 C UNK 0 -4.115 -0.018 -0.411 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.518 -0.066 1.022 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.401 -1.306 1.775 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.124 -2.516 1.350 0.00 0.00 C+0 HETATM 27 N UNK 0 -4.871 -3.624 2.288 0.00 0.00 N+1 HETATM 28 O UNK 0 -5.283 -3.338 3.592 0.00 0.00 O-1 HETATM 29 N UNK 0 -4.345 -4.711 1.980 0.00 0.00 N+0 HETATM 30 O UNK 0 -4.191 -5.644 3.016 0.00 0.00 O+0 HETATM 31 C UNK 0 -5.000 -0.748 -1.302 0.00 0.00 C+0 HETATM 32 O UNK 0 -4.505 -1.655 -2.032 0.00 0.00 O+0 HETATM 33 N UNK 0 -6.413 -0.531 -1.434 0.00 0.00 N+0 HETATM 34 C UNK 0 -7.229 -1.278 -2.310 0.00 0.00 C+0 HETATM 35 C UNK 0 -8.618 -0.851 -2.343 0.00 0.00 C+0 HETATM 36 O UNK 0 -9.436 -1.496 -3.106 0.00 0.00 O+0 HETATM 37 N UNK 0 -9.144 0.222 -1.606 0.00 0.00 N+0 HETATM 38 C UNK 0 -10.550 0.614 -1.709 0.00 0.00 C+0 HETATM 39 C UNK 0 -11.463 -0.415 -1.161 0.00 0.00 C+0 HETATM 40 C UNK 0 -11.212 -0.692 0.315 0.00 0.00 C+0 HETATM 41 C UNK 0 -11.416 0.575 1.127 0.00 0.00 C+0 HETATM 42 N UNK 0 -11.206 0.317 2.530 0.00 0.00 N+1 HETATM 43 O UNK 0 -10.020 -0.142 3.019 0.00 0.00 O-1 HETATM 44 N UNK 0 -12.147 0.519 3.370 0.00 0.00 N+0 HETATM 45 O UNK 0 -13.382 0.982 2.994 0.00 0.00 O+0 HETATM 46 C UNK 0 -10.850 0.885 -3.128 0.00 0.00 C+0 HETATM 47 O UNK 0 -9.950 0.824 -3.992 0.00 0.00 O+0 HETATM 48 O UNK 0 -12.130 1.216 -3.553 0.00 0.00 O+0 HETATM 49 C UNK 0 -0.146 0.116 -2.439 0.00 0.00 C+0 HETATM 50 C UNK 0 -0.706 1.317 -3.149 0.00 0.00 C+0 HETATM 51 O UNK 0 1.160 -0.172 -2.772 0.00 0.00 O+0 HETATM 52 C UNK 0 2.208 3.742 0.234 0.00 0.00 C+0 HETATM 53 C UNK 0 2.481 4.116 -1.211 0.00 0.00 C+0 HETATM 54 O UNK 0 0.898 4.070 0.521 0.00 0.00 O+0 HETATM 55 C UNK 0 6.862 2.959 0.579 0.00 0.00 C+0 HETATM 56 O UNK 0 6.839 3.566 1.843 0.00 0.00 O+0 HETATM 57 C UNK 0 8.238 2.907 0.078 0.00 0.00 C+0 HETATM 58 O UNK 0 9.227 3.253 0.770 0.00 0.00 O+0 HETATM 59 O UNK 0 8.469 2.452 -1.235 0.00 0.00 O+0 HETATM 60 H UNK 0 12.869 -2.795 1.364 0.00 0.00 H+0 HETATM 61 H UNK 0 14.228 -3.078 0.160 0.00 0.00 H+0 HETATM 62 H UNK 0 13.890 -1.439 0.838 0.00 0.00 H+0 HETATM 63 H UNK 0 13.180 -2.185 -1.615 0.00 0.00 H+0 HETATM 64 H UNK 0 12.077 -1.147 -0.660 0.00 0.00 H+0 HETATM 65 H UNK 0 12.096 -4.186 -1.200 0.00 0.00 H+0 HETATM 66 H UNK 0 10.860 -3.027 -1.768 0.00 0.00 H+0 HETATM 67 H UNK 0 11.308 -4.069 1.097 0.00 0.00 H+0 HETATM 68 H UNK 0 10.060 -4.546 -0.080 0.00 0.00 H+0 HETATM 69 H UNK 0 9.053 -3.275 1.642 0.00 0.00 H+0 HETATM 70 H UNK 0 8.988 -2.367 0.094 0.00 0.00 H+0 HETATM 71 H UNK 0 10.931 -0.907 1.061 0.00 0.00 H+0 HETATM 72 H UNK 0 10.872 -1.918 2.509 0.00 0.00 H+0 HETATM 73 H UNK 0 9.649 0.152 2.837 0.00 0.00 H+0 HETATM 74 H UNK 0 8.582 -1.305 2.963 0.00 0.00 H+0 HETATM 75 H UNK 0 7.196 1.125 2.703 0.00 0.00 H+0 HETATM 76 H UNK 0 6.459 1.056 -0.246 0.00 0.00 H+0 HETATM 77 H UNK 0 4.301 2.412 -0.727 0.00 0.00 H+0 HETATM 78 H UNK 0 2.549 2.299 1.723 0.00 0.00 H+0 HETATM 79 H UNK 0 0.147 2.362 -0.700 0.00 0.00 H+0 HETATM 80 H UNK 0 0.048 -0.588 -0.423 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.489 -1.361 -0.787 0.00 0.00 H+0 HETATM 82 H UNK 0 -4.189 1.079 -0.676 0.00 0.00 H+0 HETATM 83 H UNK 0 -5.610 0.242 1.035 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.016 0.801 1.544 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.661 -1.144 2.867 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.300 -1.568 1.854 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.884 -2.919 0.363 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.231 -2.379 1.376 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.095 -5.348 3.982 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.781 0.220 -0.831 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.193 -2.350 -1.949 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.779 -1.356 -3.340 0.00 0.00 H+0 HETATM 93 H UNK 0 -8.549 0.775 -0.962 0.00 0.00 H+0 HETATM 94 H UNK 0 -10.681 1.609 -1.194 0.00 0.00 H+0 HETATM 95 H UNK 0 -11.262 -1.383 -1.678 0.00 0.00 H+0 HETATM 96 H UNK 0 -12.524 -0.177 -1.302 0.00 0.00 H+0 HETATM 97 H UNK 0 -10.174 -1.040 0.453 0.00 0.00 H+0 HETATM 98 H UNK 0 -11.948 -1.447 0.640 0.00 0.00 H+0 HETATM 99 H UNK 0 -12.403 1.018 0.983 0.00 0.00 H+0 HETATM 100 H UNK 0 -10.653 1.348 0.828 0.00 0.00 H+0 HETATM 101 H UNK 0 -14.210 0.522 3.330 0.00 0.00 H+0 HETATM 102 H UNK 0 -12.757 0.461 -3.830 0.00 0.00 H+0 HETATM 103 H UNK 0 -0.774 -0.758 -2.700 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.362 1.298 -4.216 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.811 1.240 -3.124 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.381 2.252 -2.657 0.00 0.00 H+0 HETATM 107 H UNK 0 1.309 -1.140 -2.674 0.00 0.00 H+0 HETATM 108 H UNK 0 2.849 4.433 0.867 0.00 0.00 H+0 HETATM 109 H UNK 0 3.568 4.191 -1.366 0.00 0.00 H+0 HETATM 110 H UNK 0 2.042 5.145 -1.366 0.00 0.00 H+0 HETATM 111 H UNK 0 1.981 3.410 -1.883 0.00 0.00 H+0 HETATM 112 H UNK 0 0.723 4.071 1.489 0.00 0.00 H+0 HETATM 113 H UNK 0 6.175 3.510 -0.087 0.00 0.00 H+0 HETATM 114 H UNK 0 7.616 3.235 2.390 0.00 0.00 H+0 HETATM 115 H UNK 0 7.686 2.167 -1.825 0.00 0.00 H+0 CONECT 1 2 60 61 62 CONECT 2 1 3 63 64 CONECT 3 2 4 65 66 CONECT 4 3 5 67 68 CONECT 5 4 6 69 70 CONECT 6 5 7 71 72 CONECT 7 6 8 73 74 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 75 CONECT 11 10 12 55 76 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 77 CONECT 15 14 16 52 78 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 79 CONECT 19 18 20 49 80 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 81 CONECT 23 22 24 31 82 CONECT 24 23 25 83 84 CONECT 25 24 26 85 86 CONECT 26 25 27 87 88 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 89 CONECT 31 23 32 33 CONECT 32 31 CONECT 33 31 34 90 CONECT 34 33 35 91 92 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 93 CONECT 38 37 39 46 94 CONECT 39 38 40 95 96 CONECT 40 39 41 97 98 CONECT 41 40 42 99 100 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 101 CONECT 46 38 47 48 CONECT 47 46 CONECT 48 46 102 CONECT 49 19 50 51 103 CONECT 50 49 104 105 106 CONECT 51 49 107 CONECT 52 15 53 54 108 CONECT 53 52 109 110 111 CONECT 54 52 112 CONECT 55 11 56 57 113 CONECT 56 55 114 CONECT 57 55 58 59 CONECT 58 57 CONECT 59 57 115 CONECT 60 1 CONECT 61 1 CONECT 62 1 CONECT 63 2 CONECT 64 2 CONECT 65 3 CONECT 66 3 CONECT 67 4 CONECT 68 4 CONECT 69 5 CONECT 70 5 CONECT 71 6 CONECT 72 6 CONECT 73 7 CONECT 74 7 CONECT 75 10 CONECT 76 11 CONECT 77 14 CONECT 78 15 CONECT 79 18 CONECT 80 19 CONECT 81 22 CONECT 82 23 CONECT 83 24 CONECT 84 24 CONECT 85 25 CONECT 86 25 CONECT 87 26 CONECT 88 26 CONECT 89 30 CONECT 90 33 CONECT 91 34 CONECT 92 34 CONECT 93 37 CONECT 94 38 CONECT 95 39 CONECT 96 39 CONECT 97 40 CONECT 98 40 CONECT 99 41 CONECT 100 41 CONECT 101 45 CONECT 102 48 CONECT 103 49 CONECT 104 50 CONECT 105 50 CONECT 106 50 CONECT 107 51 CONECT 108 52 CONECT 109 53 CONECT 110 53 CONECT 111 53 CONECT 112 54 CONECT 113 55 CONECT 114 56 CONECT 115 59 MASTER 0 0 0 0 0 0 0 0 115 0 228 0 END