File size: 21,123 Bytes
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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
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