HETATM 1 C ACE A 1 -0.092 5.230 1.691 1.00 0.00 C HETATM 2 O ACE A 1 0.101 4.037 1.453 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.425 6.308 0.743 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.405 6.816 0.220 1.00 0.00 H HETATM 5 H2 ACE A 1 1.016 7.074 1.278 1.00 0.00 H HETATM 6 H3 ACE A 1 1.085 5.872 -0.029 1.00 0.00 H ATOM 7 N ILE A 2 -0.779 5.679 2.750 1.00 0.00 N ATOM 8 CA ILE A 2 -1.351 4.777 3.799 1.00 0.00 C ATOM 9 C ILE A 2 -2.833 4.338 3.520 1.00 0.00 C ATOM 10 O ILE A 2 -3.744 4.598 4.312 1.00 0.00 O ATOM 11 CB ILE A 2 -1.101 5.368 5.239 1.00 0.00 C ATOM 12 CG1 ILE A 2 -1.401 6.880 5.501 1.00 0.00 C ATOM 13 CG2 ILE A 2 0.343 5.081 5.721 1.00 0.00 C ATOM 14 CD1 ILE A 2 -2.842 7.353 5.270 1.00 0.00 C ATOM 15 H ILE A 2 -0.860 6.699 2.807 1.00 0.00 H ATOM 16 HA ILE A 2 -0.795 3.816 3.780 1.00 0.00 H ATOM 17 HB ILE A 2 -1.753 4.791 5.918 1.00 0.00 H ATOM 18 HG12 ILE A 2 -1.147 7.125 6.550 1.00 0.00 H ATOM 19 HG13 ILE A 2 -0.722 7.510 4.894 1.00 0.00 H ATOM 20 HG21 ILE A 2 1.101 5.586 5.091 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.510 5.413 6.763 1.00 0.00 H ATOM 22 HG23 ILE A 2 0.572 4.001 5.703 1.00 0.00 H ATOM 23 HD11 ILE A 2 -3.565 6.782 5.880 1.00 0.00 H ATOM 24 HD12 ILE A 2 -2.961 8.420 5.534 1.00 0.00 H ATOM 25 HD13 ILE A 2 -3.139 7.248 4.211 1.00 0.00 H ATOM 26 N TRP A 3 -3.057 3.627 2.398 1.00 0.00 N ATOM 27 CA TRP A 3 -4.396 3.125 1.984 1.00 0.00 C ATOM 28 C TRP A 3 -4.162 1.824 1.163 1.00 0.00 C ATOM 29 O TRP A 3 -4.020 1.869 -0.064 1.00 0.00 O ATOM 30 CB TRP A 3 -5.220 4.176 1.178 1.00 0.00 C ATOM 31 CG TRP A 3 -5.693 5.411 1.955 1.00 0.00 C ATOM 32 CD1 TRP A 3 -5.069 6.677 1.947 1.00 0.00 C ATOM 33 CD2 TRP A 3 -6.749 5.522 2.841 1.00 0.00 C ATOM 34 NE1 TRP A 3 -5.720 7.585 2.803 1.00 0.00 N ATOM 35 CE2 TRP A 3 -6.753 6.844 3.354 1.00 0.00 C ATOM 36 CE3 TRP A 3 -7.705 4.575 3.290 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -7.716 7.229 4.318 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -8.647 4.978 4.238 1.00 0.00 C ATOM 39 CH2 TRP A 3 -8.653 6.285 4.744 1.00 0.00 C ATOM 40 H TRP A 3 -2.208 3.345 1.913 1.00 0.00 H ATOM 41 HA TRP A 3 -4.961 2.859 2.893 1.00 0.00 H ATOM 42 HB2 TRP A 3 -4.647 4.500 0.288 1.00 0.00 H ATOM 43 HB3 TRP A 3 -6.117 3.683 0.756 1.00 0.00 H ATOM 44 HD1 TRP A 3 -4.162 6.904 1.406 1.00 0.00 H ATOM 45 HE1 TRP A 3 -5.460 8.556 3.012 1.00 0.00 H ATOM 46 HE3 TRP A 3 -7.704 3.561 2.915 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -7.726 8.231 4.722 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -9.381 4.268 4.591 1.00 0.00 H ATOM 49 HH2 TRP A 3 -9.392 6.565 5.480 1.00 0.00 H ATOM 50 N GLY A 4 -4.112 0.659 1.847 1.00 0.00 N ATOM 51 CA GLY A 4 -3.864 -0.651 1.185 1.00 0.00 C ATOM 52 C GLY A 4 -2.383 -0.777 0.775 1.00 0.00 C ATOM 53 O GLY A 4 -2.037 -0.384 -0.341 1.00 0.00 O ATOM 54 H GLY A 4 -4.227 0.748 2.862 1.00 0.00 H ATOM 55 HA2 GLY A 4 -4.161 -1.471 1.867 1.00 0.00 H ATOM 56 HA3 GLY A 4 -4.513 -0.762 0.296 1.00 0.00 H HETATM 57 N BCX A 5 -1.533 -1.328 1.659 1.00 0.00 N HETATM 58 CC BCX A 5 0.471 -2.809 1.040 1.00 0.00 C HETATM 59 CA BCX A 5 -0.077 -1.428 1.404 1.00 0.00 C HETATM 60 C BCX A 5 1.934 -2.726 0.512 1.00 0.00 C HETATM 61 O BCX A 5 2.469 -1.658 0.188 1.00 0.00 O HETATM 62 CB BCX A 5 0.627 -0.863 2.660 1.00 0.00 C HETATM 63 SG BCX A 5 0.320 0.909 2.786 1.00 0.00 S HETATM 64 H BCX A 5 -1.950 -1.593 2.557 1.00 0.00 H HETATM 65 HC1 BCX A 5 -0.174 -3.232 0.248 1.00 0.00 H HETATM 66 HC2 BCX A 5 0.384 -3.478 1.916 1.00 0.00 H HETATM 67 HA BCX A 5 0.186 -0.855 0.503 1.00 0.00 H HETATM 68 HB2 BCX A 5 0.300 -1.395 3.575 1.00 0.00 H HETATM 69 HB3 BCX A 5 1.723 -1.022 2.616 1.00 0.00 H ATOM 70 N SER A 6 2.541 -3.893 0.371 1.00 0.00 N ATOM 71 CA SER A 6 3.861 -4.034 -0.304 1.00 0.00 C ATOM 72 C SER A 6 3.602 -4.489 -1.766 1.00 0.00 C ATOM 73 O SER A 6 3.659 -5.679 -2.093 1.00 0.00 O ATOM 74 CB SER A 6 4.722 -4.958 0.582 1.00 0.00 C ATOM 75 OG SER A 6 6.005 -5.177 0.005 1.00 0.00 O ATOM 76 H SER A 6 1.881 -4.661 0.490 1.00 0.00 H ATOM 77 HA SER A 6 4.404 -3.066 -0.326 1.00 0.00 H ATOM 78 HB2 SER A 6 4.850 -4.499 1.585 1.00 0.00 H ATOM 79 HB3 SER A 6 4.219 -5.927 0.757 1.00 0.00 H ATOM 80 HG SER A 6 6.427 -4.317 -0.055 1.00 0.00 H ATOM 81 N GLY A 7 3.316 -3.496 -2.630 1.00 0.00 N ATOM 82 CA GLY A 7 2.977 -3.737 -4.056 1.00 0.00 C ATOM 83 C GLY A 7 1.822 -2.823 -4.535 1.00 0.00 C ATOM 84 O GLY A 7 1.912 -2.236 -5.614 1.00 0.00 O ATOM 85 H GLY A 7 3.142 -2.575 -2.201 1.00 0.00 H ATOM 86 HA2 GLY A 7 3.875 -3.555 -4.675 1.00 0.00 H ATOM 87 HA3 GLY A 7 2.691 -4.790 -4.245 1.00 0.00 H ATOM 88 N LYS A 8 0.735 -2.730 -3.738 1.00 0.00 N ATOM 89 CA LYS A 8 -0.445 -1.882 -4.023 1.00 0.00 C ATOM 90 C LYS A 8 -0.100 -0.365 -3.895 1.00 0.00 C ATOM 91 O LYS A 8 -0.127 0.351 -4.900 1.00 0.00 O ATOM 92 CB LYS A 8 -1.576 -2.359 -3.061 1.00 0.00 C ATOM 93 CG LYS A 8 -2.966 -1.748 -3.348 1.00 0.00 C ATOM 94 CD LYS A 8 -4.078 -2.361 -2.475 1.00 0.00 C ATOM 95 CE LYS A 8 -5.426 -1.638 -2.647 1.00 0.00 C ATOM 96 NZ LYS A 8 -6.471 -2.253 -1.809 1.00 0.00 N ATOM 97 H LYS A 8 0.840 -3.175 -2.822 1.00 0.00 H ATOM 98 HA LYS A 8 -0.775 -2.079 -5.063 1.00 0.00 H ATOM 99 HB2 LYS A 8 -1.659 -3.461 -3.090 1.00 0.00 H ATOM 100 HB3 LYS A 8 -1.291 -2.138 -2.011 1.00 0.00 H ATOM 101 HG2 LYS A 8 -2.921 -0.654 -3.183 1.00 0.00 H ATOM 102 HG3 LYS A 8 -3.223 -1.881 -4.416 1.00 0.00 H ATOM 103 HD2 LYS A 8 -4.188 -3.434 -2.723 1.00 0.00 H ATOM 104 HD3 LYS A 8 -3.773 -2.328 -1.413 1.00 0.00 H ATOM 105 HE2 LYS A 8 -5.328 -0.569 -2.379 1.00 0.00 H ATOM 106 HE3 LYS A 8 -5.747 -1.662 -3.706 1.00 0.00 H ATOM 107 HZ1 LYS A 8 -6.187 -2.244 -0.824 1.00 0.00 H ATOM 108 HZ2 LYS A 8 -6.582 -3.244 -2.054 1.00 0.00 H ATOM 109 N LEU A 9 0.236 0.103 -2.675 1.00 0.00 N ATOM 110 CA LEU A 9 0.568 1.516 -2.401 1.00 0.00 C ATOM 111 C LEU A 9 1.470 1.527 -1.135 1.00 0.00 C ATOM 112 O LEU A 9 0.975 1.338 -0.022 1.00 0.00 O ATOM 113 CB LEU A 9 -0.770 2.269 -2.185 1.00 0.00 C ATOM 114 CG LEU A 9 -0.694 3.812 -2.029 1.00 0.00 C ATOM 115 CD1 LEU A 9 -0.294 4.527 -3.335 1.00 0.00 C ATOM 116 CD2 LEU A 9 -2.033 4.370 -1.513 1.00 0.00 C ATOM 117 H LEU A 9 0.059 -0.540 -1.898 1.00 0.00 H ATOM 118 HA LEU A 9 1.084 1.955 -3.278 1.00 0.00 H ATOM 119 HB2 LEU A 9 -1.450 2.015 -3.020 1.00 0.00 H ATOM 120 HB3 LEU A 9 -1.247 1.821 -1.291 1.00 0.00 H ATOM 121 HG LEU A 9 0.072 4.045 -1.267 1.00 0.00 H ATOM 122 HD11 LEU A 9 -0.246 5.624 -3.200 1.00 0.00 H ATOM 123 HD12 LEU A 9 0.706 4.212 -3.687 1.00 0.00 H ATOM 124 HD13 LEU A 9 -1.009 4.327 -4.154 1.00 0.00 H ATOM 125 HD21 LEU A 9 -1.996 5.465 -1.371 1.00 0.00 H ATOM 126 HD22 LEU A 9 -2.871 4.153 -2.201 1.00 0.00 H ATOM 127 HD23 LEU A 9 -2.295 3.936 -0.531 1.00 0.00 H ATOM 128 N ILE A 10 2.784 1.765 -1.299 1.00 0.00 N ATOM 129 CA ILE A 10 3.777 1.807 -0.169 1.00 0.00 C ATOM 130 C ILE A 10 3.344 2.774 0.994 1.00 0.00 C ATOM 131 O ILE A 10 2.998 3.932 0.736 1.00 0.00 O ATOM 132 CB ILE A 10 5.233 2.106 -0.717 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.377 2.035 0.339 1.00 0.00 C ATOM 134 CG2 ILE A 10 5.357 3.462 -1.468 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.741 0.624 0.820 1.00 0.00 C ATOM 136 H ILE A 10 3.044 1.907 -2.280 1.00 0.00 H ATOM 137 HA ILE A 10 3.788 0.769 0.232 1.00 0.00 H ATOM 138 HB ILE A 10 5.495 1.323 -1.457 1.00 0.00 H ATOM 139 HG12 ILE A 10 7.307 2.470 -0.077 1.00 0.00 H ATOM 140 HG13 ILE A 10 6.139 2.674 1.208 1.00 0.00 H ATOM 141 HG21 ILE A 10 6.358 3.594 -1.919 1.00 0.00 H ATOM 142 HG22 ILE A 10 4.631 3.546 -2.296 1.00 0.00 H ATOM 143 HG23 ILE A 10 5.186 4.325 -0.798 1.00 0.00 H ATOM 144 HD11 ILE A 10 7.582 0.660 1.539 1.00 0.00 H ATOM 145 HD12 ILE A 10 5.895 0.124 1.325 1.00 0.00 H ATOM 146 HD13 ILE A 10 7.066 -0.018 -0.020 1.00 0.00 H ATOM 147 N CYS A 11 3.366 2.282 2.253 1.00 0.00 N ATOM 148 CA CYS A 11 2.983 3.067 3.460 1.00 0.00 C ATOM 149 C CYS A 11 4.070 4.110 3.899 1.00 0.00 C ATOM 150 O CYS A 11 4.739 3.971 4.929 1.00 0.00 O ATOM 151 CB CYS A 11 2.629 2.066 4.596 1.00 0.00 C ATOM 152 SG CYS A 11 0.892 1.569 4.576 1.00 0.00 S ATOM 153 H CYS A 11 3.614 1.295 2.329 1.00 0.00 H ATOM 154 HA CYS A 11 2.048 3.617 3.238 1.00 0.00 H ATOM 155 HB2 CYS A 11 3.278 1.170 4.594 1.00 0.00 H ATOM 156 HB3 CYS A 11 2.782 2.526 5.590 1.00 0.00 H ATOM 157 N THR A 12 4.213 5.175 3.094 1.00 0.00 N ATOM 158 CA THR A 12 5.166 6.284 3.314 1.00 0.00 C ATOM 159 C THR A 12 4.491 7.612 2.852 1.00 0.00 C ATOM 160 O THR A 12 3.764 7.658 1.851 1.00 0.00 O ATOM 161 CB THR A 12 6.533 6.080 2.588 1.00 0.00 C ATOM 162 OG1 THR A 12 6.350 5.917 1.186 1.00 0.00 O ATOM 163 CG2 THR A 12 7.397 4.923 3.118 1.00 0.00 C ATOM 164 H THR A 12 3.838 5.033 2.157 1.00 0.00 H ATOM 165 HA THR A 12 5.352 6.348 4.397 1.00 0.00 H ATOM 166 HB THR A 12 7.129 6.997 2.732 1.00 0.00 H ATOM 167 HG1 THR A 12 5.924 6.726 0.891 1.00 0.00 H ATOM 168 HG21 THR A 12 6.903 3.944 2.990 1.00 0.00 H ATOM 169 HG22 THR A 12 8.366 4.871 2.589 1.00 0.00 H ATOM 170 HG23 THR A 12 7.618 5.042 4.195 1.00 0.00 H ATOM 171 N THR A 13 4.783 8.709 3.573 1.00 0.00 N ATOM 172 CA THR A 13 4.236 10.061 3.273 1.00 0.00 C ATOM 173 C THR A 13 5.098 10.737 2.163 1.00 0.00 C ATOM 174 O THR A 13 6.127 11.372 2.420 1.00 0.00 O ATOM 175 CB THR A 13 4.146 10.946 4.547 1.00 0.00 C ATOM 176 OG1 THR A 13 5.421 11.054 5.177 1.00 0.00 O ATOM 177 CG2 THR A 13 3.117 10.481 5.593 1.00 0.00 C ATOM 178 H THR A 13 5.471 8.576 4.312 1.00 0.00 H ATOM 179 HA THR A 13 3.191 9.955 2.912 1.00 0.00 H ATOM 180 HB THR A 13 3.837 11.956 4.214 1.00 0.00 H ATOM 181 HG1 THR A 13 6.062 11.003 4.461 1.00 0.00 H ATOM 182 HG21 THR A 13 3.367 9.485 6.002 1.00 0.00 H ATOM 183 HG22 THR A 13 3.070 11.182 6.447 1.00 0.00 H ATOM 184 HG23 THR A 13 2.099 10.418 5.166 1.00 0.00 H ATOM 185 N ALA A 14 4.639 10.546 0.923 1.00 0.00 N ATOM 186 CA ALA A 14 5.295 11.085 -0.293 1.00 0.00 C ATOM 187 C ALA A 14 4.226 11.475 -1.336 1.00 0.00 C ATOM 188 O ALA A 14 4.026 12.638 -1.683 1.00 0.00 O ATOM 189 CB ALA A 14 6.325 10.078 -0.845 1.00 0.00 C ATOM 190 OXT ALA A 14 3.530 10.396 -1.829 1.00 0.00 O ATOM 191 H ALA A 14 3.852 9.890 0.930 1.00 0.00 H ATOM 192 HA ALA A 14 5.843 12.015 -0.041 1.00 0.00 H ATOM 193 HB1 ALA A 14 6.830 10.467 -1.749 1.00 0.00 H ATOM 194 HB2 ALA A 14 7.120 9.865 -0.106 1.00 0.00 H ATOM 195 HB3 ALA A 14 5.866 9.108 -1.117 1.00 0.00 H ATOM 196 HXT ALA A 14 3.830 9.571 -1.443 1.00 0.00 H TER 197 ALA A 14