D0R7UI AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNK A 0 6.725 6.058 -6.039 1.00 0.00 C HETATM 2 C UNK A 0 7.655 5.067 -5.350 1.00 0.00 C HETATM 3 C UNK A 0 7.385 3.640 -5.825 1.00 0.00 C HETATM 4 C UNK A 0 8.297 2.612 -5.153 1.00 0.00 C HETATM 5 C UNK A 0 7.967 1.199 -5.646 1.00 0.00 C HETATM 6 C UNK A 0 8.856 0.145 -4.987 1.00 0.00 C HETATM 7 C UNK A 0 8.517 -1.259 -5.491 1.00 0.00 C HETATM 8 C UNK A 0 9.401 -2.310 -4.840 1.00 0.00 C HETATM 9 O UNK A 0 7.171 6.926 -6.794 1.00 0.00 O HETATM 10 C UNK A 0 5.224 5.849 -5.825 1.00 0.00 C ATOM 11 CB GLN A 1 2.353 6.064 -6.627 1.00 0.00 C ATOM 12 CA GLN A 1 3.030 7.026 -5.620 1.00 0.00 C ATOM 13 C GLN A 1 2.827 6.722 -4.096 1.00 0.00 C ATOM 14 N GLN A 1 4.490 7.121 -5.924 1.00 0.00 N ATOM 15 O GLN A 1 3.780 6.698 -3.318 1.00 0.00 O ATOM 16 CG GLN A 1 0.832 5.952 -6.581 1.00 0.00 C ATOM 17 CD GLN A 1 0.161 7.300 -6.584 1.00 0.00 C ATOM 18 OE1 GLN A 1 -0.296 7.788 -5.556 1.00 0.00 O ATOM 19 NE2 GLN A 1 0.168 7.964 -7.769 1.00 0.00 N ATOM 20 CB THR A 2 2.213 5.589 -1.373 1.00 0.00 C ATOM 21 CA THR A 2 1.093 6.127 -2.315 1.00 0.00 C ATOM 22 C THR A 2 0.276 7.283 -1.666 1.00 0.00 C ATOM 23 N THR A 2 1.523 6.520 -3.677 1.00 0.00 N ATOM 24 O THR A 2 0.472 8.475 -1.898 1.00 0.00 O ATOM 25 OG1 THR A 2 2.879 4.451 -1.956 1.00 0.00 O ATOM 26 CG2 THR A 2 1.770 5.115 0.006 1.00 0.00 C ATOM 27 HA THR A 2 0.387 5.308 -2.512 1.00 0.00 H ATOM 28 CB ALA A 3 -0.578 8.656 0.960 1.00 0.00 C ATOM 29 CA ALA A 3 -1.466 7.795 0.059 1.00 0.00 C ATOM 30 C ALA A 3 -2.561 8.565 -0.725 1.00 0.00 C ATOM 31 N ALA A 3 -0.698 6.871 -0.772 1.00 0.00 N ATOM 32 O ALA A 3 -3.539 8.017 -1.170 1.00 0.00 O ATOM 33 CB SER A 4 -2.498 12.110 -2.029 1.00 0.00 C ATOM 34 CA SER A 4 -3.169 10.753 -1.719 1.00 0.00 C ATOM 35 C SER A 4 -4.543 11.032 -1.055 1.00 0.00 C ATOM 36 N SER A 4 -2.277 9.924 -0.901 1.00 0.00 N ATOM 37 O SER A 4 -5.578 10.547 -1.488 1.00 0.00 O ATOM 38 OG SER A 4 -1.329 11.961 -2.830 1.00 0.00 O ATOM 39 CB ILE A 5 -5.953 13.855 -0.614 1.00 0.00 C ATOM 40 CA ILE A 5 -5.704 12.695 0.442 1.00 0.00 C ATOM 41 C ILE A 5 -6.879 11.747 0.896 1.00 0.00 C ATOM 42 N ILE A 5 -4.514 11.908 0.037 1.00 0.00 N ATOM 43 O ILE A 5 -7.840 11.516 0.158 1.00 0.00 O ATOM 44 CG2 ILE A 5 -6.714 13.459 -1.882 1.00 0.00 C ATOM 45 CG1 ILE A 5 -6.598 15.118 -0.004 1.00 0.00 C ATOM 46 CD1 ILE A 5 -6.486 16.407 -0.806 1.00 0.00 C ATOM 47 HA ILE A 5 -5.354 13.200 1.351 1.00 0.00 H ATOM 48 C PRO A 6 -5.558 11.445 4.495 1.00 0.00 C ATOM 49 N PRO A 6 -6.747 11.075 2.155 1.00 0.00 N ATOM 50 CA PRO A 6 -6.561 11.868 3.389 1.00 0.00 C ATOM 51 CB PRO A 6 -7.938 11.763 4.107 1.00 0.00 C ATOM 52 CG PRO A 6 -8.811 10.932 3.188 1.00 0.00 C ATOM 53 CD PRO A 6 -7.801 10.092 2.448 1.00 0.00 C ATOM 54 O PRO A 6 -5.403 12.136 5.510 1.00 0.00 O ATOM 55 C PRO A 7 -5.708 9.150 6.392 1.00 0.00 C ATOM 56 N PRO A 7 -5.053 10.164 4.445 1.00 0.00 N ATOM 57 CA PRO A 7 -4.397 9.658 5.686 1.00 0.00 C ATOM 58 CB PRO A 7 -2.976 9.484 5.119 1.00 0.00 C ATOM 59 CG PRO A 7 -3.265 8.812 3.764 1.00 0.00 C ATOM 60 CD PRO A 7 -4.384 9.687 3.241 1.00 0.00 C ATOM 61 O PRO A 7 -6.209 8.059 6.112 1.00 0.00 O ATOM 62 CB GLN A 8 -7.829 8.463 8.458 1.00 0.00 C ATOM 63 CA GLN A 8 -7.768 9.786 7.658 1.00 0.00 C ATOM 64 C GLN A 8 -8.205 11.012 8.494 1.00 0.00 C ATOM 65 N GLN A 8 -6.389 10.063 7.177 1.00 0.00 N ATOM 66 O GLN A 8 -8.317 10.995 9.718 1.00 0.00 O ATOM 67 CG GLN A 8 -9.134 8.094 9.158 1.00 0.00 C ATOM 68 CD GLN A 8 -10.287 7.777 8.231 1.00 0.00 C ATOM 69 OE1 GLN A 8 -10.312 8.025 7.033 1.00 0.00 O ATOM 70 NE2 GLN A 8 -11.352 7.204 8.867 1.00 0.00 N ATOM 71 CB THR A 9 -7.704 14.510 8.257 1.00 0.00 C ATOM 72 CA THR A 9 -8.824 13.446 8.415 1.00 0.00 C ATOM 73 C THR A 9 -10.155 13.955 7.815 1.00 0.00 C ATOM 74 N THR A 9 -8.400 12.180 7.771 1.00 0.00 N ATOM 75 O THR A 9 -10.690 15.000 8.181 1.00 0.00 O ATOM 76 OG1 THR A 9 -6.445 14.001 8.729 1.00 0.00 O ATOM 77 CG2 THR A 9 -7.946 15.821 8.999 1.00 0.00 C ATOM 78 HA THR A 9 -9.003 13.258 9.480 1.00 0.00 H ATOM 79 CB TYR A 10 -12.224 13.090 4.810 1.00 0.00 C ATOM 80 CA TYR A 10 -12.013 13.577 6.251 1.00 0.00 C ATOM 81 C TYR A 10 -13.128 13.039 7.124 1.00 0.00 C ATOM 82 N TYR A 10 -10.718 13.179 6.818 1.00 0.00 N ATOM 83 O TYR A 10 -13.082 11.963 7.710 1.00 0.00 O ATOM 84 CG TYR A 10 -11.320 13.722 3.780 1.00 0.00 C ATOM 85 CD1 TYR A 10 -11.223 13.144 2.500 1.00 0.00 C ATOM 86 CE1 TYR A 10 -10.195 13.533 1.650 1.00 0.00 C ATOM 87 CZ TYR A 10 -9.357 14.537 2.104 1.00 0.00 C ATOM 88 CE2 TYR A 10 -9.773 15.409 3.075 1.00 0.00 C ATOM 89 CD2 TYR A 10 -10.619 14.905 4.034 1.00 0.00 C ATOM 90 OH TYR A 10 -8.008 14.249 2.097 1.00 0.00 O HETATM 91 H UNK A 0 8.690 5.351 -5.573 1.00 0.00 H HETATM 92 H UNK A 0 7.517 5.159 -4.267 1.00 0.00 H HETATM 93 H UNK A 0 6.342 3.371 -5.620 1.00 0.00 H HETATM 94 H UNK A 0 7.510 3.590 -6.913 1.00 0.00 H HETATM 95 H UNK A 0 9.346 2.846 -5.371 1.00 0.00 H HETATM 96 H UNK A 0 8.171 2.661 -4.065 1.00 0.00 H HETATM 97 H UNK A 0 6.915 0.974 -5.432 1.00 0.00 H HETATM 98 H UNK A 0 8.091 1.154 -6.735 1.00 0.00 H HETATM 99 H UNK A 0 9.909 0.367 -5.198 1.00 0.00 H HETATM 100 H UNK A 0 8.728 0.184 -3.898 1.00 0.00 H HETATM 101 H UNK A 0 7.467 -1.489 -5.278 1.00 0.00 H HETATM 102 H UNK A 0 8.644 -1.306 -6.579 1.00 0.00 H HETATM 103 H UNK A 0 9.272 -2.311 -3.753 1.00 0.00 H HETATM 104 H UNK A 0 10.457 -2.126 -5.061 1.00 0.00 H HETATM 105 H UNK A 0 9.144 -3.307 -5.213 1.00 0.00 H HETATM 106 H UNK A 0 4.905 5.146 -6.601 1.00 0.00 H HETATM 107 H UNK A 0 5.089 5.381 -4.846 1.00 0.00 H ATOM 108 HB1 GLN A 1 2.628 6.390 -7.641 1.00 0.00 H ATOM 109 HB2 GLN A 1 2.746 5.047 -6.510 1.00 0.00 H ATOM 110 HA GLN A 1 2.632 8.037 -5.763 1.00 0.00 H ATOM 111 H GLN A 1 4.663 7.538 -6.839 1.00 0.00 H ATOM 112 HG1 GLN A 1 0.473 5.375 -7.441 1.00 0.00 H ATOM 113 HG2 GLN A 1 0.505 5.390 -5.700 1.00 0.00 H ATOM 114 HE21 GLN A 1 -0.233 8.894 -7.810 1.00 0.00 H ATOM 115 HE22 GLN A 1 0.627 7.610 -8.596 1.00 0.00 H ATOM 116 HB THR A 2 2.956 6.375 -1.203 1.00 0.00 H ATOM 117 H THR A 2 0.828 7.069 -4.184 1.00 0.00 H ATOM 118 HG1 THR A 2 2.211 3.819 -2.261 1.00 0.00 H ATOM 119 HG21 THR A 2 1.170 4.202 -0.062 1.00 0.00 H ATOM 120 HG22 THR A 2 1.225 5.875 0.567 1.00 0.00 H ATOM 121 HG23 THR A 2 2.658 4.856 0.596 1.00 0.00 H ATOM 122 HB1 ALA A 3 -1.172 9.371 1.533 1.00 0.00 H ATOM 123 HB2 ALA A 3 0.155 9.242 0.399 1.00 0.00 H ATOM 124 HB3 ALA A 3 -0.022 8.025 1.663 1.00 0.00 H ATOM 125 HA ALA A 3 -2.041 7.149 0.738 1.00 0.00 H ATOM 126 H ALA A 3 -1.016 5.911 -0.795 1.00 0.00 H ATOM 127 HB1 SER A 4 -2.195 12.641 -1.118 1.00 0.00 H ATOM 128 HB2 SER A 4 -3.190 12.764 -2.570 1.00 0.00 H ATOM 129 HA SER A 4 -3.345 10.209 -2.655 1.00 0.00 H ATOM 130 H SER A 4 -1.294 10.051 -1.114 1.00 0.00 H ATOM 131 H SER A 4 -0.591 11.680 -2.262 1.00 0.00 H ATOM 132 HB ILE A 5 -4.955 14.176 -0.941 1.00 0.00 H ATOM 133 H ILE A 5 -3.630 12.320 0.283 1.00 0.00 H ATOM 134 HG21 ILE A 5 -7.738 13.140 -1.670 1.00 0.00 H ATOM 135 HG22 ILE A 5 -6.202 12.674 -2.437 1.00 0.00 H ATOM 136 HG23 ILE A 5 -6.783 14.308 -2.571 1.00 0.00 H ATOM 137 HG11 ILE A 5 -7.670 14.944 0.088 1.00 0.00 H ATOM 138 HG12 ILE A 5 -6.160 15.316 0.981 1.00 0.00 H ATOM 139 HD11 ILE A 5 -7.047 16.349 -1.743 1.00 0.00 H ATOM 140 HD12 ILE A 5 -5.445 16.656 -1.023 1.00 0.00 H ATOM 141 HD13 ILE A 5 -6.921 17.232 -0.228 1.00 0.00 H ATOM 142 HA PRO A 6 -6.310 12.896 3.152 1.00 0.00 H ATOM 143 HB1 PRO A 6 -7.865 11.221 5.052 1.00 0.00 H ATOM 144 HB2 PRO A 6 -8.354 12.746 4.344 1.00 0.00 H ATOM 145 HG1 PRO A 6 -9.608 10.392 3.702 1.00 0.00 H ATOM 146 HG2 PRO A 6 -9.272 11.565 2.449 1.00 0.00 H ATOM 147 HD1 PRO A 6 -7.408 9.315 3.112 1.00 0.00 H ATOM 148 HD2 PRO A 6 -8.218 9.622 1.554 1.00 0.00 H ATOM 149 HA PRO A 7 -4.264 8.556 5.744 1.00 0.00 H ATOM 150 HB1 PRO A 7 -2.501 10.461 4.952 1.00 0.00 H ATOM 151 HB2 PRO A 7 -2.294 8.897 5.745 1.00 0.00 H ATOM 152 HG1 PRO A 7 -2.410 8.753 3.099 1.00 0.00 H ATOM 153 HG2 PRO A 7 -3.639 7.788 3.911 1.00 0.00 H ATOM 154 HD1 PRO A 7 -5.079 9.130 2.605 1.00 0.00 H ATOM 155 HD2 PRO A 7 -3.984 10.546 2.691 1.00 0.00 H ATOM 156 HB1 GLN A 8 -7.030 8.477 9.209 1.00 0.00 H ATOM 157 HB2 GLN A 8 -7.602 7.622 7.794 1.00 0.00 H ATOM 158 HA GLN A 8 -8.417 9.724 6.776 1.00 0.00 H ATOM 159 H GLN A 8 -6.092 11.034 7.079 1.00 0.00 H ATOM 160 HG1 GLN A 8 -8.940 7.188 9.748 1.00 0.00 H ATOM 161 HG2 GLN A 8 -9.460 8.867 9.857 1.00 0.00 H ATOM 162 HE21 GLN A 8 -12.186 7.017 8.326 1.00 0.00 H ATOM 163 HE22 GLN A 8 -11.418 7.164 9.875 1.00 0.00 H ATOM 164 HB THR A 9 -7.563 14.733 7.192 1.00 0.00 H ATOM 165 H THR A 9 -8.201 12.218 6.778 1.00 0.00 H ATOM 166 HG1 THR A 9 -6.589 13.104 9.080 1.00 0.00 H ATOM 167 HG21 THR A 9 -8.121 15.645 10.066 1.00 0.00 H ATOM 168 HG22 THR A 9 -8.790 16.383 8.592 1.00 0.00 H ATOM 169 HG23 THR A 9 -7.064 16.468 8.928 1.00 0.00 H ATOM 170 HB1 TYR A 10 -12.089 12.000 4.774 1.00 0.00 H ATOM 171 HB2 TYR A 10 -13.253 13.302 4.498 1.00 0.00 H ATOM 172 HA TYR A 10 -12.103 14.667 6.303 1.00 0.00 H ATOM 173 H TYR A 10 -14.031 13.676 7.169 1.00 0.00 H ATOM 174 H TYR A 10 -10.544 12.181 6.897 1.00 0.00 H ATOM 175 HD1 TYR A 10 -11.809 12.277 2.223 1.00 0.00 H ATOM 176 HE1 TYR A 10 -9.914 12.928 0.790 1.00 0.00 H ATOM 177 HE2 TYR A 10 -9.443 16.439 3.079 1.00 0.00 H ATOM 178 HD2 TYR A 10 -10.710 15.462 4.959 1.00 0.00 H ATOM 179 HH TYR A 10 -7.624 14.642 2.901 1.00 0.00 H CONECT 1 10 2 9 CONECT 2 3 1 91 92 CONECT 3 4 2 93 94 CONECT 4 5 3 95 96 CONECT 5 6 4 97 98 CONECT 6 7 5 99 100 CONECT 7 8 6 101 102 CONECT 8 7 103 104 105 CONECT 9 1 CONECT 10 14 1 106 107 CONECT 11 16 12 108 109 CONECT 12 11 14 13 110 CONECT 13 15 23 12 CONECT 14 10 12 111 CONECT 15 13 CONECT 16 17 11 112 113 CONECT 17 18 19 16 CONECT 18 17 CONECT 19 17 114 115 CONECT 20 26 25 21 116 CONECT 21 23 20 22 27 CONECT 22 31 24 21 CONECT 23 21 13 117 CONECT 24 22 CONECT 25 20 118 CONECT 26 20 119 120 121 CONECT 27 21 CONECT 28 29 122 123 124 CONECT 29 28 30 31 125 CONECT 30 36 32 29 CONECT 31 22 29 126 CONECT 32 30 CONECT 33 34 38 127 128 CONECT 34 36 35 33 129 CONECT 35 37 42 34 CONECT 36 34 30 130 CONECT 37 35 CONECT 38 33 131 CONECT 39 44 40 45 132 CONECT 40 41 39 42 47 CONECT 41 43 49 40 CONECT 42 35 40 133 CONECT 43 41 CONECT 44 39 134 135 136 CONECT 45 46 39 137 138 CONECT 46 45 139 140 141 CONECT 47 40 CONECT 48 56 50 54 CONECT 49 53 50 41 CONECT 50 51 49 48 142 CONECT 51 52 50 143 144 CONECT 52 53 51 145 146 CONECT 53 52 49 147 148 CONECT 54 48 CONECT 55 57 61 65 CONECT 56 57 60 48 CONECT 57 58 56 55 149 CONECT 58 59 57 150 151 CONECT 59 60 58 152 153 CONECT 60 59 56 154 155 CONECT 61 55 CONECT 62 63 67 156 157 CONECT 63 62 64 65 158 CONECT 64 66 74 63 CONECT 65 55 63 159 CONECT 66 64 CONECT 67 68 62 160 161 CONECT 68 69 70 67 CONECT 69 68 CONECT 70 68 162 163 CONECT 71 77 76 72 164 CONECT 72 74 71 73 78 CONECT 73 82 75 72 CONECT 74 72 64 165 CONECT 75 73 CONECT 76 71 166 CONECT 77 71 167 168 169 CONECT 78 72 CONECT 79 84 80 170 171 CONECT 80 79 81 82 172 CONECT 81 83 80 173 CONECT 82 73 80 174 CONECT 83 81 CONECT 84 85 89 79 CONECT 85 86 84 175 CONECT 86 87 85 176 CONECT 87 90 88 86 CONECT 88 89 87 177 CONECT 89 88 84 178 CONECT 90 87 179 CONECT 91 2 CONECT 92 2 CONECT 93 3 CONECT 94 3 CONECT 95 4 CONECT 96 4 CONECT 97 5 CONECT 98 5 CONECT 99 6 CONECT 100 6 CONECT 101 7 CONECT 102 7 CONECT 103 8 CONECT 104 8 CONECT 105 8 CONECT 106 10 CONECT 107 10 CONECT 108 11 CONECT 109 11 CONECT 110 12 CONECT 111 14 CONECT 112 16 CONECT 113 16 CONECT 114 19 CONECT 115 19 CONECT 116 20 CONECT 117 23 CONECT 118 25 CONECT 119 26 CONECT 120 26 CONECT 121 26 CONECT 122 28 CONECT 123 28 CONECT 124 28 CONECT 125 29 CONECT 126 31 CONECT 127 33 CONECT 128 33 CONECT 129 34 CONECT 130 36 CONECT 131 38 CONECT 132 39 CONECT 133 42 CONECT 134 44 CONECT 135 44 CONECT 136 44 CONECT 137 45 CONECT 138 45 CONECT 139 46 CONECT 140 46 CONECT 141 46 CONECT 142 50 CONECT 143 51 CONECT 144 51 CONECT 145 52 CONECT 146 52 CONECT 147 53 CONECT 148 53 CONECT 149 57 CONECT 150 58 CONECT 151 58 CONECT 152 59 CONECT 153 59 CONECT 154 60 CONECT 155 60 CONECT 156 62 CONECT 157 62 CONECT 158 63 CONECT 159 65 CONECT 160 67 CONECT 161 67 CONECT 162 70 CONECT 163 70 CONECT 164 71 CONECT 165 74 CONECT 166 76 CONECT 167 77 CONECT 168 77 CONECT 169 77 CONECT 170 79 CONECT 171 79 CONECT 172 80 CONECT 173 81 CONECT 174 82 CONECT 175 85 CONECT 176 86 CONECT 177 88 CONECT 178 89 CONECT 179 90 MASTER 0 0 0 0 0 0 0 0 179 0 179 0 END M END $$$$