| COMPND chignolin_folded.pdb | |
| AUTHOR GENERATED BY OPEN BABEL 3.1.1 | |
| ATOM 1 N GLY A 1 -6.986 1.003 3.359 1.00 0.00 N | |
| ATOM 2 CA GLY A 1 -6.740 -0.436 3.053 1.00 0.00 C | |
| ATOM 3 C GLY A 1 -5.453 -0.575 2.240 1.00 0.00 C | |
| ATOM 4 O GLY A 1 -4.472 -1.123 2.702 1.00 0.00 O | |
| ATOM 5 H1 GLY A 1 -6.931 1.558 2.483 1.00 0.00 H | |
| ATOM 6 H2 GLY A 1 -6.265 1.342 4.030 1.00 0.00 H | |
| ATOM 7 H3 GLY A 1 -7.930 1.112 3.779 1.00 0.00 H | |
| ATOM 8 HA2 GLY A 1 -6.645 -0.987 3.978 1.00 0.00 H | |
| ATOM 9 HA3 GLY A 1 -7.567 -0.829 2.482 1.00 0.00 H | |
| ATOM 10 N TYR A 2 -5.446 -0.085 1.032 1.00 0.00 N | |
| ATOM 11 CA TYR A 2 -4.221 -0.193 0.191 1.00 0.00 C | |
| ATOM 12 C TYR A 2 -3.136 0.733 0.742 1.00 0.00 C | |
| ATOM 13 O TYR A 2 -3.289 1.939 0.768 1.00 0.00 O | |
| ATOM 14 CB TYR A 2 -4.547 0.213 -1.247 1.00 0.00 C | |
| ATOM 15 CG TYR A 2 -3.286 0.169 -2.076 1.00 0.00 C | |
| ATOM 16 CD1 TYR A 2 -2.899 -1.024 -2.700 1.00 0.00 C | |
| ATOM 17 CD2 TYR A 2 -2.501 1.320 -2.221 1.00 0.00 C | |
| ATOM 18 CE1 TYR A 2 -1.728 -1.066 -3.466 1.00 0.00 C | |
| ATOM 19 CE2 TYR A 2 -1.331 1.277 -2.987 1.00 0.00 C | |
| ATOM 20 CZ TYR A 2 -0.944 0.085 -3.609 1.00 0.00 C | |
| ATOM 21 OH TYR A 2 0.210 0.044 -4.364 1.00 0.00 O | |
| ATOM 22 H TYR A 2 -6.249 0.353 0.675 1.00 0.00 H | |
| ATOM 23 HA TYR A 2 -3.865 -1.213 0.204 1.00 0.00 H | |
| ATOM 24 HB2 TYR A 2 -5.275 -0.471 -1.658 1.00 0.00 H | |
| ATOM 25 HB3 TYR A 2 -4.948 1.216 -1.255 1.00 0.00 H | |
| ATOM 26 HD1 TYR A 2 -3.504 -1.913 -2.589 1.00 0.00 H | |
| ATOM 27 HD2 TYR A 2 -2.799 2.240 -1.740 1.00 0.00 H | |
| ATOM 28 HE1 TYR A 2 -1.429 -1.985 -3.945 1.00 0.00 H | |
| ATOM 29 HE2 TYR A 2 -0.726 2.166 -3.098 1.00 0.00 H | |
| ATOM 30 HH TYR A 2 0.080 -0.594 -5.069 1.00 0.00 H | |
| ATOM 31 N ASP A 3 -2.037 0.182 1.177 1.00 0.00 N | |
| ATOM 32 CA ASP A 3 -0.940 1.032 1.718 1.00 0.00 C | |
| ATOM 33 C ASP A 3 -0.123 1.602 0.550 1.00 0.00 C | |
| ATOM 34 O ASP A 3 0.515 0.860 -0.169 1.00 0.00 O | |
| ATOM 35 CB ASP A 3 -0.030 0.183 2.608 1.00 0.00 C | |
| ATOM 36 CG ASP A 3 0.783 1.097 3.527 1.00 0.00 C | |
| ATOM 37 OD1 ASP A 3 1.270 2.106 3.046 1.00 0.00 O | |
| ATOM 38 OD2 ASP A 3 0.904 0.771 4.696 1.00 0.00 O | |
| ATOM 39 H ASP A 3 -1.929 -0.792 1.143 1.00 0.00 H | |
| ATOM 40 HA ASP A 3 -1.364 1.834 2.301 1.00 0.00 H | |
| ATOM 41 HB2 ASP A 3 -0.633 -0.486 3.205 1.00 0.00 H | |
| ATOM 42 HB3 ASP A 3 0.643 -0.392 1.990 1.00 0.00 H | |
| ATOM 43 N PRO A 4 -0.167 2.902 0.390 1.00 0.00 N | |
| ATOM 44 CA PRO A 4 0.563 3.590 -0.689 1.00 0.00 C | |
| ATOM 45 C PRO A 4 2.049 3.716 -0.336 1.00 0.00 C | |
| ATOM 46 O PRO A 4 2.907 3.662 -1.194 1.00 0.00 O | |
| ATOM 47 CB PRO A 4 -0.102 4.968 -0.753 1.00 0.00 C | |
| ATOM 48 CG PRO A 4 -0.765 5.195 0.626 1.00 0.00 C | |
| ATOM 49 CD PRO A 4 -0.947 3.805 1.262 1.00 0.00 C | |
| ATOM 50 HA PRO A 4 0.436 3.074 -1.627 1.00 0.00 H | |
| ATOM 51 HB2 PRO A 4 0.642 5.729 -0.942 1.00 0.00 H | |
| ATOM 52 HB3 PRO A 4 -0.856 4.981 -1.525 1.00 0.00 H | |
| ATOM 53 HG2 PRO A 4 -0.125 5.809 1.246 1.00 0.00 H | |
| ATOM 54 HG3 PRO A 4 -1.726 5.668 0.503 1.00 0.00 H | |
| ATOM 55 HD2 PRO A 4 -0.551 3.796 2.269 1.00 0.00 H | |
| ATOM 56 HD3 PRO A 4 -1.987 3.519 1.258 1.00 0.00 H | |
| ATOM 57 N GLU A 5 2.359 3.886 0.920 1.00 0.00 N | |
| ATOM 58 CA GLU A 5 3.789 4.014 1.322 1.00 0.00 C | |
| ATOM 59 C GLU A 5 4.498 2.675 1.111 1.00 0.00 C | |
| ATOM 60 O GLU A 5 5.499 2.593 0.427 1.00 0.00 O | |
| ATOM 61 CB GLU A 5 3.870 4.411 2.797 1.00 0.00 C | |
| ATOM 62 CG GLU A 5 3.427 5.866 2.958 1.00 0.00 C | |
| ATOM 63 CD GLU A 5 4.308 6.557 4.001 1.00 0.00 C | |
| ATOM 64 OE1 GLU A 5 4.729 5.887 4.930 1.00 0.00 O | |
| ATOM 65 OE2 GLU A 5 4.547 7.745 3.853 1.00 0.00 O | |
| ATOM 66 H GLU A 5 1.655 3.927 1.599 1.00 0.00 H | |
| ATOM 67 HA GLU A 5 4.265 4.773 0.718 1.00 0.00 H | |
| ATOM 68 HB2 GLU A 5 3.224 3.770 3.379 1.00 0.00 H | |
| ATOM 69 HB3 GLU A 5 4.888 4.307 3.143 1.00 0.00 H | |
| ATOM 70 HG2 GLU A 5 3.519 6.378 2.012 1.00 0.00 H | |
| ATOM 71 HG3 GLU A 5 2.397 5.895 3.284 1.00 0.00 H | |
| ATOM 72 N THR A 6 3.985 1.625 1.691 1.00 0.00 N | |
| ATOM 73 CA THR A 6 4.627 0.292 1.519 1.00 0.00 C | |
| ATOM 74 C THR A 6 4.208 -0.297 0.171 1.00 0.00 C | |
| ATOM 75 O THR A 6 4.872 -1.155 -0.378 1.00 0.00 O | |
| ATOM 76 CB THR A 6 4.180 -0.641 2.646 1.00 0.00 C | |
| ATOM 77 OG1 THR A 6 4.472 -0.040 3.899 1.00 0.00 O | |
| ATOM 78 CG2 THR A 6 4.921 -1.973 2.530 1.00 0.00 C | |
| ATOM 79 H THR A 6 3.174 1.712 2.236 1.00 0.00 H | |
| ATOM 80 HA THR A 6 5.701 0.402 1.546 1.00 0.00 H | |
| ATOM 81 HB THR A 6 3.118 -0.817 2.568 1.00 0.00 H | |
| ATOM 82 HG1 THR A 6 4.471 -0.730 4.567 1.00 0.00 H | |
| ATOM 83 HG21 THR A 6 4.207 -2.784 2.533 1.00 0.00 H | |
| ATOM 84 HG22 THR A 6 5.594 -2.084 3.369 1.00 0.00 H | |
| ATOM 85 HG23 THR A 6 5.485 -1.992 1.610 1.00 0.00 H | |
| ATOM 86 N GLY A 7 3.112 0.161 -0.368 1.00 0.00 N | |
| ATOM 87 CA GLY A 7 2.646 -0.365 -1.681 1.00 0.00 C | |
| ATOM 88 C GLY A 7 2.326 -1.855 -1.558 1.00 0.00 C | |
| ATOM 89 O GLY A 7 2.897 -2.681 -2.244 1.00 0.00 O | |
| ATOM 90 H GLY A 7 2.595 0.855 0.092 1.00 0.00 H | |
| ATOM 91 HA2 GLY A 7 1.758 0.171 -1.988 1.00 0.00 H | |
| ATOM 92 HA3 GLY A 7 3.421 -0.228 -2.419 1.00 0.00 H | |
| ATOM 93 N THR A 8 1.415 -2.209 -0.692 1.00 0.00 N | |
| ATOM 94 CA THR A 8 1.063 -3.648 -0.534 1.00 0.00 C | |
| ATOM 95 C THR A 8 -0.420 -3.781 -0.220 1.00 0.00 C | |
| ATOM 96 O THR A 8 -1.024 -2.913 0.377 1.00 0.00 O | |
| ATOM 97 CB THR A 8 1.884 -4.260 0.602 1.00 0.00 C | |
| ATOM 98 OG1 THR A 8 3.116 -3.560 0.725 1.00 0.00 O | |
| ATOM 99 CG2 THR A 8 2.158 -5.733 0.294 1.00 0.00 C | |
| ATOM 100 H THR A 8 0.964 -1.530 -0.150 1.00 0.00 H | |
| ATOM 101 HA THR A 8 1.269 -4.173 -1.451 1.00 0.00 H | |
| ATOM 102 HB THR A 8 1.334 -4.187 1.527 1.00 0.00 H | |
| ATOM 103 HG1 THR A 8 3.759 -3.990 0.158 1.00 0.00 H | |
| ATOM 104 HG21 THR A 8 1.575 -6.036 -0.564 1.00 0.00 H | |
| ATOM 105 HG22 THR A 8 1.884 -6.336 1.147 1.00 0.00 H | |
| ATOM 106 HG23 THR A 8 3.208 -5.868 0.081 1.00 0.00 H | |
| ATOM 107 N TRP A 9 -1.014 -4.864 -0.632 1.00 0.00 N | |
| ATOM 108 CA TRP A 9 -2.453 -5.058 -0.377 1.00 0.00 C | |
| ATOM 109 C TRP A 9 -2.656 -5.717 0.990 1.00 0.00 C | |
| ATOM 110 O TRP A 9 -3.517 -6.556 1.162 1.00 0.00 O | |
| ATOM 111 CB TRP A 9 -3.043 -5.945 -1.472 1.00 0.00 C | |
| ATOM 112 CG TRP A 9 -4.054 -5.163 -2.241 1.00 0.00 C | |
| ATOM 113 CD1 TRP A 9 -4.281 -5.276 -3.568 1.00 0.00 C | |
| ATOM 114 CD2 TRP A 9 -4.970 -4.148 -1.750 1.00 0.00 C | |
| ATOM 115 NE1 TRP A 9 -5.292 -4.396 -3.922 1.00 0.00 N | |
| ATOM 116 CE2 TRP A 9 -5.747 -3.679 -2.833 1.00 0.00 C | |
| ATOM 117 CE3 TRP A 9 -5.200 -3.599 -0.479 1.00 0.00 C | |
| ATOM 118 CZ2 TRP A 9 -6.723 -2.696 -2.660 1.00 0.00 C | |
| ATOM 119 CZ3 TRP A 9 -6.179 -2.609 -0.299 1.00 0.00 C | |
| ATOM 120 CH2 TRP A 9 -6.940 -2.158 -1.388 1.00 0.00 C | |
| ATOM 121 H TRP A 9 -0.514 -5.543 -1.118 1.00 0.00 H | |
| ATOM 122 HA TRP A 9 -2.936 -4.098 -0.395 1.00 0.00 H | |
| ATOM 123 HB2 TRP A 9 -2.255 -6.270 -2.137 1.00 0.00 H | |
| ATOM 124 HB3 TRP A 9 -3.516 -6.806 -1.023 1.00 0.00 H | |
| ATOM 125 HD1 TRP A 9 -3.762 -5.943 -4.239 1.00 0.00 H | |
| ATOM 126 HE1 TRP A 9 -5.652 -4.282 -4.827 1.00 0.00 H | |
| ATOM 127 HE3 TRP A 9 -4.611 -3.941 0.364 1.00 0.00 H | |
| ATOM 128 HZ2 TRP A 9 -7.306 -2.353 -3.502 1.00 0.00 H | |
| ATOM 129 HZ3 TRP A 9 -6.349 -2.193 0.683 1.00 0.00 H | |
| ATOM 130 HH2 TRP A 9 -7.692 -1.397 -1.244 1.00 0.00 H | |
| ATOM 131 N GLY A 10 -1.870 -5.345 1.962 1.00 0.00 N | |
| ATOM 132 CA GLY A 10 -2.020 -5.954 3.315 1.00 0.00 C | |
| ATOM 133 C GLY A 10 -1.022 -7.102 3.475 1.00 0.00 C | |
| ATOM 134 O GLY A 10 -0.340 -7.406 2.510 1.00 0.00 O | |
| ATOM 135 OXT GLY A 10 -0.958 -7.658 4.558 1.00 0.00 O | |
| ATOM 136 H GLY A 10 -1.180 -4.668 1.804 1.00 0.00 H | |
| ATOM 137 HA2 GLY A 10 -1.831 -5.203 4.069 1.00 0.00 H | |
| ATOM 138 HA3 GLY A 10 -3.023 -6.335 3.429 1.00 0.00 H | |
| CONECT 1 5 2 7 6 | |
| CONECT 2 3 9 1 8 | |
| CONECT 3 10 4 4 2 | |
| CONECT 4 3 3 | |
| CONECT 5 1 | |
| CONECT 6 1 | |
| CONECT 7 1 | |
| CONECT 8 2 | |
| CONECT 9 2 | |
| CONECT 10 11 22 3 | |
| CONECT 11 14 23 12 10 | |
| CONECT 12 11 13 13 31 | |
| CONECT 13 12 12 | |
| CONECT 14 15 24 25 11 | |
| CONECT 15 16 16 17 14 | |
| CONECT 16 18 26 15 15 | |
| CONECT 17 19 19 15 27 | |
| CONECT 18 28 20 20 16 | |
| CONECT 19 20 29 17 17 | |
| CONECT 20 21 18 18 19 | |
| CONECT 21 30 20 | |
| CONECT 22 10 | |
| CONECT 23 11 | |
| CONECT 24 14 | |
| CONECT 25 14 | |
| CONECT 26 16 | |
| CONECT 27 17 | |
| CONECT 28 18 | |
| CONECT 29 19 | |
| CONECT 30 21 | |
| CONECT 31 12 39 32 | |
| CONECT 32 33 31 40 35 | |
| CONECT 33 34 34 43 32 | |
| CONECT 34 33 33 | |
| CONECT 35 32 42 41 36 | |
| CONECT 36 35 37 37 38 | |
| CONECT 37 36 36 | |
| CONECT 38 36 | |
| CONECT 39 31 | |
| CONECT 40 32 | |
| CONECT 41 35 | |
| CONECT 42 35 | |
| CONECT 43 44 33 49 | |
| CONECT 44 50 47 45 43 | |
| CONECT 45 46 46 44 57 | |
| CONECT 46 45 45 | |
| CONECT 47 52 51 44 48 | |
| CONECT 48 47 54 53 49 | |
| CONECT 49 43 48 56 55 | |
| CONECT 50 44 | |
| CONECT 51 47 | |
| CONECT 52 47 | |
| CONECT 53 48 | |
| CONECT 54 48 | |
| CONECT 55 49 | |
| CONECT 56 49 | |
| CONECT 57 45 58 66 | |
| CONECT 58 67 57 59 61 | |
| CONECT 59 60 60 58 72 | |
| CONECT 60 59 59 | |
| CONECT 61 58 62 69 68 | |
| CONECT 62 70 61 71 63 | |
| CONECT 63 62 65 65 64 | |
| CONECT 64 63 | |
| CONECT 65 63 63 | |
| CONECT 66 57 | |
| CONECT 67 58 | |
| CONECT 68 61 | |
| CONECT 69 61 | |
| CONECT 70 62 | |
| CONECT 71 62 | |
| CONECT 72 59 73 79 | |
| CONECT 73 74 80 72 76 | |
| CONECT 74 75 75 86 73 | |
| CONECT 75 74 74 | |
| CONECT 76 73 78 81 77 | |
| CONECT 77 76 82 | |
| CONECT 78 85 83 76 84 | |
| CONECT 79 72 | |
| CONECT 80 73 | |
| CONECT 81 76 | |
| CONECT 82 77 | |
| CONECT 83 78 | |
| CONECT 84 78 | |
| CONECT 85 78 | |
| CONECT 86 87 90 74 | |
| CONECT 87 92 91 88 86 | |
| CONECT 88 89 89 87 93 | |
| CONECT 89 88 88 | |
| CONECT 90 86 | |
| CONECT 91 87 | |
| CONECT 92 87 | |
| CONECT 93 88 94 100 | |
| CONECT 94 101 93 95 97 | |
| CONECT 95 107 94 96 96 | |
| CONECT 96 95 95 | |
| CONECT 97 94 99 98 102 | |
| CONECT 98 103 97 | |
| CONECT 99 104 106 97 105 | |
| CONECT 100 93 | |
| CONECT 101 94 | |
| CONECT 102 97 | |
| CONECT 103 98 | |
| CONECT 104 99 | |
| CONECT 105 99 | |
| CONECT 106 99 | |
| CONECT 107 121 108 95 | |
| CONECT 108 111 107 122 109 | |
| CONECT 109 108 110 110 131 | |
| CONECT 110 109 109 | |
| CONECT 111 112 123 124 108 | |
| CONECT 112 113 113 114 111 | |
| CONECT 113 125 115 112 112 | |
| CONECT 114 116 116 112 117 | |
| CONECT 115 126 113 116 | |
| CONECT 116 115 118 114 114 | |
| CONECT 117 114 119 119 127 | |
| CONECT 118 128 116 120 120 | |
| CONECT 119 120 117 117 129 | |
| CONECT 120 118 118 130 119 | |
| CONECT 121 107 | |
| CONECT 122 108 | |
| CONECT 123 111 | |
| CONECT 124 111 | |
| CONECT 125 113 | |
| CONECT 126 115 | |
| CONECT 127 117 | |
| CONECT 128 118 | |
| CONECT 129 119 | |
| CONECT 130 120 | |
| CONECT 131 109 136 132 | |
| CONECT 132 131 138 133 137 | |
| CONECT 133 134 134 132 135 | |
| CONECT 134 133 133 | |
| CONECT 135 133 | |
| CONECT 136 131 | |
| CONECT 137 132 | |
| CONECT 138 132 | |
| MASTER 0 0 0 0 0 0 0 0 138 0 138 0 | |
| END | |