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 -1.458 1.476 0.402 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.840 0.393 -0.471 0.00 0.00 C+0 HETATM 3 N UNK 0 -3.276 0.023 -0.361 0.00 0.00 N+0 HETATM 4 C UNK 0 -3.640 -1.126 0.368 0.00 0.00 C+0 HETATM 5 O UNK 0 -2.590 -1.715 0.920 0.00 0.00 O+0 HETATM 6 C UNK 0 -4.879 -1.787 0.640 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.717 -3.251 0.101 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.211 -3.173 -1.327 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.709 -1.724 -1.474 0.00 0.00 C+0 HETATM 10 N UNK 0 -6.040 -1.426 -0.100 0.00 0.00 N+0 HETATM 11 C UNK 0 -7.266 -1.014 0.506 0.00 0.00 C+0 HETATM 12 O UNK 0 -7.216 -0.694 1.718 0.00 0.00 O+0 HETATM 13 C UNK 0 -8.581 -0.944 -0.154 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.968 -2.310 -0.741 0.00 0.00 C+0 HETATM 15 C UNK 0 -9.223 -3.130 0.526 0.00 0.00 C+0 HETATM 16 C UNK 0 -9.545 -2.083 1.584 0.00 0.00 C+0 HETATM 17 N UNK 0 -9.675 -0.831 0.802 0.00 0.00 N+0 HETATM 18 C UNK 0 -10.693 0.083 1.021 0.00 0.00 C+0 HETATM 19 O UNK 0 -11.564 -0.154 1.939 0.00 0.00 O+0 HETATM 20 C UNK 0 -10.878 1.348 0.260 0.00 0.00 C+0 HETATM 21 C UNK 0 -9.832 2.370 0.473 0.00 0.00 C+0 HETATM 22 C UNK 0 -9.653 2.854 1.842 0.00 0.00 C+0 HETATM 23 N UNK 0 -10.380 2.458 2.977 0.00 0.00 N+0 HETATM 24 O UNK 0 -8.742 3.724 2.021 0.00 0.00 O+0 HETATM 25 N UNK 0 -12.227 1.866 0.516 0.00 0.00 N+0 HETATM 26 C UNK 0 -13.270 1.646 -0.414 0.00 0.00 C+0 HETATM 27 O UNK 0 -12.978 0.985 -1.489 0.00 0.00 O+0 HETATM 28 C UNK 0 -14.659 2.070 -0.321 0.00 0.00 C+0 HETATM 29 N UNK 0 -15.007 2.850 0.838 0.00 0.00 N+0 HETATM 30 C UNK 0 -15.242 2.624 -1.610 0.00 0.00 C+0 HETATM 31 C UNK 0 -14.824 1.863 -2.830 0.00 0.00 C+0 HETATM 32 O UNK 0 -16.647 2.645 -1.568 0.00 0.00 O+0 HETATM 33 C UNK 0 -1.035 -0.831 -0.370 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.468 -1.764 -1.192 0.00 0.00 O+0 HETATM 35 N UNK 0 0.046 -1.203 0.403 0.00 0.00 N+0 HETATM 36 C UNK 0 0.598 -2.590 0.345 0.00 0.00 C+0 HETATM 37 C UNK 0 0.536 -2.957 1.826 0.00 0.00 C+0 HETATM 38 C UNK 0 0.505 -1.635 2.552 0.00 0.00 C+0 HETATM 39 C UNK 0 0.842 -0.604 1.407 0.00 0.00 C+0 HETATM 40 C UNK 0 2.270 -0.500 1.297 0.00 0.00 C+0 HETATM 41 O UNK 0 2.838 -0.082 2.436 0.00 0.00 O+0 HETATM 42 N UNK 0 3.224 -0.727 0.304 0.00 0.00 N+0 HETATM 43 C UNK 0 4.613 -0.536 0.608 0.00 0.00 C+0 HETATM 44 C UNK 0 5.449 0.026 -0.476 0.00 0.00 C+0 HETATM 45 O UNK 0 5.074 -0.011 -1.651 0.00 0.00 O+0 HETATM 46 N UNK 0 6.695 0.598 -0.126 0.00 0.00 N+0 HETATM 47 C UNK 0 7.686 1.139 -1.059 0.00 0.00 C+0 HETATM 48 C UNK 0 7.439 2.656 -1.200 0.00 0.00 C+0 HETATM 49 S UNK 0 5.780 2.987 -1.822 0.00 0.00 S+0 HETATM 50 C UNK 0 9.007 1.028 -0.429 0.00 0.00 C+0 HETATM 51 O UNK 0 8.989 1.415 0.823 0.00 0.00 O+0 HETATM 52 N UNK 0 10.232 0.592 -0.912 0.00 0.00 N+0 HETATM 53 C UNK 0 11.392 0.600 -0.001 0.00 0.00 C+0 HETATM 54 C UNK 0 12.683 0.573 -0.630 0.00 0.00 C+0 HETATM 55 O UNK 0 12.922 -0.242 -1.570 0.00 0.00 O+0 HETATM 56 N UNK 0 13.761 1.430 -0.261 0.00 0.00 N+0 HETATM 57 C UNK 0 15.079 1.430 -0.817 0.00 0.00 C+0 HETATM 58 C UNK 0 16.062 2.096 0.045 0.00 0.00 C+0 HETATM 59 N UNK 0 17.425 2.293 -0.167 0.00 0.00 N+0 HETATM 60 O UNK 0 15.599 2.562 1.157 0.00 0.00 O+0 HETATM 61 C UNK 0 15.088 2.147 -2.181 0.00 0.00 C+0 HETATM 62 C UNK 0 16.451 1.981 -2.793 0.00 0.00 C+0 HETATM 63 O UNK 0 14.716 3.471 -2.082 0.00 0.00 O+0 HETATM 64 C UNK 0 11.157 -0.704 0.828 0.00 0.00 C+0 HETATM 65 C UNK 0 10.788 -1.805 -0.095 0.00 0.00 C+0 HETATM 66 O UNK 0 12.142 -0.926 1.730 0.00 0.00 O+0 HETATM 67 C UNK 0 5.231 -1.914 0.990 0.00 0.00 C+0 HETATM 68 C UNK 0 4.678 -2.452 2.260 0.00 0.00 C+0 HETATM 69 O UNK 0 5.100 -2.815 -0.040 0.00 0.00 O+0 HETATM 70 H UNK 0 -1.682 1.266 1.472 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.070 2.424 0.200 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.410 1.841 0.227 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.687 0.692 -1.571 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.976 0.626 -0.801 0.00 0.00 H+0 HETATM 75 H UNK 0 -5.108 -1.877 1.748 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.651 -3.537 0.118 0.00 0.00 H+0 HETATM 77 H UNK 0 -5.369 -3.915 0.700 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.087 -3.826 -1.488 0.00 0.00 H+0 HETATM 79 H UNK 0 -4.390 -3.367 -2.053 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.532 -1.619 -2.189 0.00 0.00 H+0 HETATM 81 H UNK 0 -4.806 -1.169 -1.841 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.608 -0.152 -0.884 0.00 0.00 H+0 HETATM 83 H UNK 0 -8.217 -2.813 -1.302 0.00 0.00 H+0 HETATM 84 H UNK 0 -9.883 -2.213 -1.355 0.00 0.00 H+0 HETATM 85 H UNK 0 -10.054 -3.795 0.299 0.00 0.00 H+0 HETATM 86 H UNK 0 -8.289 -3.662 0.802 0.00 0.00 H+0 HETATM 87 H UNK 0 -8.845 -2.032 2.395 0.00 0.00 H+0 HETATM 88 H UNK 0 -10.547 -2.385 1.985 0.00 0.00 H+0 HETATM 89 H UNK 0 -10.872 1.030 -0.812 0.00 0.00 H+0 HETATM 90 H UNK 0 -8.864 1.962 0.120 0.00 0.00 H+0 HETATM 91 H UNK 0 -10.087 3.243 -0.190 0.00 0.00 H+0 HETATM 92 H UNK 0 -10.131 1.586 3.470 0.00 0.00 H+0 HETATM 93 H UNK 0 -11.165 3.029 3.323 0.00 0.00 H+0 HETATM 94 H UNK 0 -12.409 2.388 1.378 0.00 0.00 H+0 HETATM 95 H UNK 0 -15.253 1.093 -0.166 0.00 0.00 H+0 HETATM 96 H UNK 0 -14.193 3.350 1.204 0.00 0.00 H+0 HETATM 97 H UNK 0 -15.636 2.398 1.507 0.00 0.00 H+0 HETATM 98 H UNK 0 -14.844 3.669 -1.714 0.00 0.00 H+0 HETATM 99 H UNK 0 -14.936 0.750 -2.726 0.00 0.00 H+0 HETATM 100 H UNK 0 -15.572 2.142 -3.637 0.00 0.00 H+0 HETATM 101 H UNK 0 -13.853 2.169 -3.237 0.00 0.00 H+0 HETATM 102 H UNK 0 -17.029 1.803 -1.983 0.00 0.00 H+0 HETATM 103 H UNK 0 1.565 -2.666 -0.096 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.086 -3.262 -0.210 0.00 0.00 H+0 HETATM 105 H UNK 0 1.418 -3.557 2.042 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.419 -3.522 1.971 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.479 -1.389 2.934 0.00 0.00 H+0 HETATM 108 H UNK 0 1.344 -1.577 3.242 0.00 0.00 H+0 HETATM 109 H UNK 0 0.414 0.328 1.773 0.00 0.00 H+0 HETATM 110 H UNK 0 2.946 -1.007 -0.656 0.00 0.00 H+0 HETATM 111 H UNK 0 4.745 0.049 1.527 0.00 0.00 H+0 HETATM 112 H UNK 0 6.945 0.660 0.886 0.00 0.00 H+0 HETATM 113 H UNK 0 7.572 0.700 -2.021 0.00 0.00 H+0 HETATM 114 H UNK 0 7.573 3.116 -0.202 0.00 0.00 H+0 HETATM 115 H UNK 0 8.181 3.031 -1.922 0.00 0.00 H+0 HETATM 116 H UNK 0 5.624 2.535 -3.145 0.00 0.00 H+0 HETATM 117 H UNK 0 10.347 0.260 -1.888 0.00 0.00 H+0 HETATM 118 H UNK 0 11.256 1.390 0.730 0.00 0.00 H+0 HETATM 119 H UNK 0 13.563 2.144 0.491 0.00 0.00 H+0 HETATM 120 H UNK 0 15.334 0.363 -1.082 0.00 0.00 H+0 HETATM 121 H UNK 0 18.076 1.518 0.147 0.00 0.00 H+0 HETATM 122 H UNK 0 17.795 3.149 -0.606 0.00 0.00 H+0 HETATM 123 H UNK 0 14.291 1.662 -2.835 0.00 0.00 H+0 HETATM 124 H UNK 0 17.025 1.235 -2.200 0.00 0.00 H+0 HETATM 125 H UNK 0 16.373 1.516 -3.820 0.00 0.00 H+0 HETATM 126 H UNK 0 16.920 2.975 -2.852 0.00 0.00 H+0 HETATM 127 H UNK 0 15.274 4.032 -2.685 0.00 0.00 H+0 HETATM 128 H UNK 0 10.220 -0.456 1.426 0.00 0.00 H+0 HETATM 129 H UNK 0 10.066 -1.473 -0.879 0.00 0.00 H+0 HETATM 130 H UNK 0 10.238 -2.617 0.453 0.00 0.00 H+0 HETATM 131 H UNK 0 11.683 -2.281 -0.536 0.00 0.00 H+0 HETATM 132 H UNK 0 11.928 -0.639 2.637 0.00 0.00 H+0 HETATM 133 H UNK 0 6.327 -1.687 1.152 0.00 0.00 H+0 HETATM 134 H UNK 0 4.867 -1.760 3.113 0.00 0.00 H+0 HETATM 135 H UNK 0 5.194 -3.428 2.469 0.00 0.00 H+0 HETATM 136 H UNK 0 3.616 -2.671 2.171 0.00 0.00 H+0 HETATM 137 H UNK 0 4.158 -2.984 -0.259 0.00 0.00 H+0 CONECT 1 2 70 71 72 CONECT 2 1 3 33 73 CONECT 3 2 4 74 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 10 75 CONECT 7 6 8 76 77 CONECT 8 7 9 78 79 CONECT 9 8 10 80 81 CONECT 10 9 11 6 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 17 82 CONECT 14 13 15 83 84 CONECT 15 14 16 85 86 CONECT 16 15 17 87 88 CONECT 17 16 18 13 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 25 89 CONECT 21 20 22 90 91 CONECT 22 21 23 24 CONECT 23 22 92 93 CONECT 24 22 CONECT 25 20 26 94 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 95 CONECT 29 28 96 97 CONECT 30 28 31 32 98 CONECT 31 30 99 100 101 CONECT 32 30 102 CONECT 33 2 34 35 CONECT 34 33 CONECT 35 33 36 39 CONECT 36 35 37 103 104 CONECT 37 36 38 105 106 CONECT 38 37 39 107 108 CONECT 39 38 40 35 109 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 110 CONECT 43 42 44 67 111 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 112 CONECT 47 46 48 50 113 CONECT 48 47 49 114 115 CONECT 49 48 116 CONECT 50 47 51 52 CONECT 51 50 CONECT 52 50 53 117 CONECT 53 52 54 64 118 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 119 CONECT 57 56 58 61 120 CONECT 58 57 59 60 CONECT 59 58 121 122 CONECT 60 58 CONECT 61 57 62 63 123 CONECT 62 61 124 125 126 CONECT 63 61 127 CONECT 64 53 65 66 128 CONECT 65 64 129 130 131 CONECT 66 64 132 CONECT 67 43 68 69 133 CONECT 68 67 134 135 136 CONECT 69 67 137 CONECT 70 1 CONECT 71 1 CONECT 72 1 CONECT 73 2 CONECT 74 3 CONECT 75 6 CONECT 76 7 CONECT 77 7 CONECT 78 8 CONECT 79 8 CONECT 80 9 CONECT 81 9 CONECT 82 13 CONECT 83 14 CONECT 84 14 CONECT 85 15 CONECT 86 15 CONECT 87 16 CONECT 88 16 CONECT 89 20 CONECT 90 21 CONECT 91 21 CONECT 92 23 CONECT 93 23 CONECT 94 25 CONECT 95 28 CONECT 96 29 CONECT 97 29 CONECT 98 30 CONECT 99 31 CONECT 100 31 CONECT 101 31 CONECT 102 32 CONECT 103 36 CONECT 104 36 CONECT 105 37 CONECT 106 37 CONECT 107 38 CONECT 108 38 CONECT 109 39 CONECT 110 42 CONECT 111 43 CONECT 112 46 CONECT 113 47 CONECT 114 48 CONECT 115 48 CONECT 116 49 CONECT 117 52 CONECT 118 53 CONECT 119 56 CONECT 120 57 CONECT 121 59 CONECT 122 59 CONECT 123 61 CONECT 124 62 CONECT 125 62 CONECT 126 62 CONECT 127 63 CONECT 128 64 CONECT 129 65 CONECT 130 65 CONECT 131 65 CONECT 132 66 CONECT 133 67 CONECT 134 68 CONECT 135 68 CONECT 136 68 CONECT 137 69 MASTER 0 0 0 0 0 0 0 0 137 0 278 0 END