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