HETATM 1 C ACE A 1 -9.035 -0.654 -1.854 1.00 0.00 C HETATM 2 O ACE A 1 -8.948 0.255 -1.030 1.00 0.00 O HETATM 3 CH3 ACE A 1 -9.979 -0.547 -3.002 1.00 0.00 C HETATM 4 H1 ACE A 1 -10.907 -1.065 -2.758 1.00 0.00 H HETATM 5 H2 ACE A 1 -10.191 0.504 -3.201 1.00 0.00 H HETATM 6 H3 ACE A 1 -9.531 -1.002 -3.885 1.00 0.00 H ATOM 7 N ILE A 2 -8.330 -1.775 -1.812 1.00 0.00 N ATOM 8 CA ILE A 2 -7.369 -2.015 -0.749 1.00 0.00 C ATOM 9 C ILE A 2 -6.122 -2.680 -1.333 1.00 0.00 C ATOM 10 O ILE A 2 -5.603 -3.641 -0.768 1.00 0.00 O ATOM 11 CB ILE A 2 -8.015 -2.812 0.387 1.00 0.00 C ATOM 12 CG1 ILE A 2 -8.671 -4.088 -0.142 1.00 0.00 C ATOM 13 CG2 ILE A 2 -9.001 -1.945 1.174 1.00 0.00 C ATOM 14 CD1 ILE A 2 -10.121 -3.829 -0.554 1.00 0.00 C ATOM 15 H ILE A 2 -8.407 -2.510 -2.486 1.00 0.00 H ATOM 16 HA ILE A 2 -7.084 -1.045 -0.340 1.00 0.00 H ATOM 17 HB ILE A 2 -7.230 -3.116 1.080 1.00 0.00 H ATOM 18 HG13 ILE A 2 -8.639 -4.863 0.625 1.00 0.00 H ATOM 19 HG21 ILE A 2 -9.482 -2.548 1.944 1.00 0.00 H ATOM 20 HG22 ILE A 2 -8.464 -1.118 1.642 1.00 0.00 H ATOM 21 HG23 ILE A 2 -9.757 -1.549 0.496 1.00 0.00 H ATOM 22 HD11 ILE A 2 -10.672 -3.422 0.294 1.00 0.00 H ATOM 23 HD12 ILE A 2 -10.144 -3.116 -1.378 1.00 0.00 H ATOM 24 HD13 ILE A 2 -10.581 -4.765 -0.871 1.00 0.00 H ATOM 25 N TRP A 3 -5.676 -2.141 -2.459 1.00 0.00 N ATOM 26 CA TRP A 3 -4.499 -2.671 -3.128 1.00 0.00 C ATOM 27 C TRP A 3 -3.994 -1.609 -4.106 1.00 0.00 C ATOM 28 O TRP A 3 -3.537 -1.936 -5.201 1.00 0.00 O ATOM 29 CB TRP A 3 -4.808 -4.008 -3.802 1.00 0.00 C ATOM 30 CG TRP A 3 -4.379 -5.230 -2.988 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.234 -5.414 -2.317 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.143 -6.438 -2.783 1.00 0.00 C ATOM 33 NE1 TRP A 3 -3.203 -6.647 -1.698 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.401 -7.290 -1.990 1.00 0.00 C ATOM 35 CE3 TRP A 3 -6.418 -6.799 -3.253 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -4.849 -8.557 -1.598 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -6.851 -8.069 -2.852 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.116 -8.938 -2.055 1.00 0.00 C ATOM 39 H TRP A 3 -6.104 -1.360 -2.912 1.00 0.00 H ATOM 40 HA TRP A 3 -3.744 -2.866 -2.367 1.00 0.00 H ATOM 41 HB3 TRP A 3 -4.310 -4.038 -4.772 1.00 0.00 H ATOM 42 HD1 TRP A 3 -2.429 -4.682 -2.267 1.00 0.00 H ATOM 43 HE1 TRP A 3 -2.390 -7.044 -1.091 1.00 0.00 H ATOM 44 HE3 TRP A 3 -7.023 -6.145 -3.881 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -4.243 -9.212 -0.971 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -7.834 -8.399 -3.189 1.00 0.00 H ATOM 47 HH2 TRP A 3 -6.525 -9.912 -1.785 1.00 0.00 H ATOM 48 N GLY A 4 -4.094 -0.360 -3.678 1.00 0.00 N ATOM 49 CA GLY A 4 -3.652 0.752 -4.503 1.00 0.00 C ATOM 50 C GLY A 4 -3.053 1.867 -3.645 1.00 0.00 C ATOM 51 O GLY A 4 -3.742 2.457 -2.815 1.00 0.00 O ATOM 52 H GLY A 4 -4.467 -0.102 -2.787 1.00 0.00 H ATOM 53 HA2 GLY A 4 -2.912 0.404 -5.223 1.00 0.00 H ATOM 54 HA3 GLY A 4 -4.494 1.141 -5.075 1.00 0.00 H ATOM 55 N CYS A 5 -1.774 2.124 -3.876 1.00 0.00 N ATOM 56 CA CYS A 5 -1.072 3.159 -3.134 1.00 0.00 C ATOM 57 C CYS A 5 -2.009 4.359 -2.981 1.00 0.00 C ATOM 58 O CYS A 5 -2.243 5.130 -3.911 1.00 0.00 O ATOM 59 CB CYS A 5 0.245 3.546 -3.810 1.00 0.00 C ATOM 60 SG CYS A 5 0.275 3.308 -5.624 1.00 0.00 S ATOM 61 H CYS A 5 -1.219 1.641 -4.552 1.00 0.00 H ATOM 62 HA CYS A 5 -0.826 2.734 -2.161 1.00 0.00 H ATOM 63 HB3 CYS A 5 1.050 2.959 -3.367 1.00 0.00 H HETATM 64 N B3S A 6 -2.550 4.502 -1.766 1.00 0.00 N HETATM 65 OD B3S A 6 -4.417 6.355 0.765 1.00 0.00 O HETATM 66 CG B3S A 6 -4.326 5.344 -0.242 1.00 0.00 C HETATM 67 CB B3S A 6 -3.318 5.705 -1.361 1.00 0.00 C HETATM 68 CA B3S A 6 -2.349 6.823 -0.901 1.00 0.00 C HETATM 69 C B3S A 6 -1.243 6.389 0.067 1.00 0.00 C HETATM 70 O B3S A 6 -1.087 7.030 1.104 1.00 0.00 O HETATM 71 H B3S A 6 -2.259 3.782 -1.101 1.00 0.00 H HETATM 72 HD B3S A 6 -5.323 6.681 0.733 1.00 0.00 H HETATM 73 HG2 B3S A 6 -4.036 4.382 0.225 1.00 0.00 H HETATM 74 HB B3S A 6 -3.905 6.090 -2.224 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.887 7.305 -1.781 1.00 0.00 H HETATM 76 HA2 B3S A 6 -2.919 7.638 -0.420 1.00 0.00 H ATOM 77 N GLY A 7 -0.508 5.345 -0.288 1.00 0.00 N ATOM 78 CA GLY A 7 0.574 4.871 0.556 1.00 0.00 C ATOM 79 C GLY A 7 1.870 4.722 -0.244 1.00 0.00 C ATOM 80 O GLY A 7 2.135 3.665 -0.812 1.00 0.00 O ATOM 81 H GLY A 7 -0.642 4.829 -1.134 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.730 5.567 1.381 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.303 3.911 0.997 1.00 0.00 H ATOM 84 N LYS A 8 2.643 5.798 -0.262 1.00 0.00 N ATOM 85 CA LYS A 8 3.905 5.801 -0.983 1.00 0.00 C ATOM 86 C LYS A 8 4.949 5.025 -0.179 1.00 0.00 C ATOM 87 O LYS A 8 5.900 5.610 0.338 1.00 0.00 O ATOM 88 CB LYS A 8 4.327 7.233 -1.319 1.00 0.00 C ATOM 89 CG LYS A 8 3.464 7.810 -2.443 1.00 0.00 C ATOM 90 CD LYS A 8 3.979 9.183 -2.881 1.00 0.00 C ATOM 91 CE LYS A 8 3.614 9.465 -4.340 1.00 0.00 C ATOM 92 NZ LYS A 8 4.193 10.755 -4.778 1.00 0.00 N ATOM 93 H LYS A 8 2.420 6.655 0.202 1.00 0.00 H ATOM 94 HA LYS A 8 3.742 5.283 -1.928 1.00 0.00 H ATOM 95 HB3 LYS A 8 5.375 7.247 -1.618 1.00 0.00 H ATOM 96 HG3 LYS A 8 2.430 7.897 -2.105 1.00 0.00 H ATOM 97 HD3 LYS A 8 5.061 9.224 -2.758 1.00 0.00 H ATOM 98 HE3 LYS A 8 2.530 9.490 -4.451 1.00 0.00 H ATOM 99 HZ1 LYS A 8 5.180 10.672 -4.998 1.00 0.00 H ATOM 100 HZ2 LYS A 8 3.736 11.114 -5.609 1.00 0.00 H ATOM 101 N LEU A 9 4.737 3.720 -0.098 1.00 0.00 N ATOM 102 CA LEU A 9 5.648 2.858 0.635 1.00 0.00 C ATOM 103 C LEU A 9 5.575 1.441 0.061 1.00 0.00 C ATOM 104 O LEU A 9 6.604 0.805 -0.165 1.00 0.00 O ATOM 105 CB LEU A 9 5.362 2.928 2.136 1.00 0.00 C ATOM 106 CG LEU A 9 5.920 1.780 2.980 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.404 1.994 3.284 1.00 0.00 C ATOM 108 CD2 LEU A 9 5.096 1.586 4.254 1.00 0.00 C ATOM 109 H LEU A 9 3.961 3.252 -0.523 1.00 0.00 H ATOM 110 HA LEU A 9 6.657 3.241 0.480 1.00 0.00 H ATOM 111 HB3 LEU A 9 4.282 2.966 2.279 1.00 0.00 H ATOM 112 HG LEU A 9 5.839 0.860 2.401 1.00 0.00 H ATOM 113 HD11 LEU A 9 7.937 1.050 3.170 1.00 0.00 H ATOM 114 HD12 LEU A 9 7.814 2.729 2.592 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.517 2.354 4.307 1.00 0.00 H ATOM 116 HD21 LEU A 9 4.536 0.652 4.187 1.00 0.00 H ATOM 117 HD22 LEU A 9 5.762 1.549 5.116 1.00 0.00 H ATOM 118 HD23 LEU A 9 4.400 2.418 4.368 1.00 0.00 H ATOM 119 N ILE A 10 4.350 0.988 -0.158 1.00 0.00 N ATOM 120 CA ILE A 10 4.129 -0.341 -0.701 1.00 0.00 C ATOM 121 C ILE A 10 2.908 -0.316 -1.622 1.00 0.00 C ATOM 122 O ILE A 10 1.776 -0.458 -1.162 1.00 0.00 O ATOM 123 CB ILE A 10 4.027 -1.371 0.426 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.416 -1.770 0.931 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.205 -2.585 -0.012 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.276 -2.323 -0.207 1.00 0.00 C ATOM 127 H ILE A 10 3.519 1.512 0.028 1.00 0.00 H ATOM 128 HA ILE A 10 5.005 -0.602 -1.296 1.00 0.00 H ATOM 129 HB ILE A 10 3.500 -0.911 1.262 1.00 0.00 H ATOM 130 HG13 ILE A 10 5.318 -2.521 1.716 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.595 -3.480 0.473 1.00 0.00 H ATOM 132 HG22 ILE A 10 2.163 -2.440 0.273 1.00 0.00 H ATOM 133 HG23 ILE A 10 3.274 -2.699 -1.093 1.00 0.00 H ATOM 134 HD11 ILE A 10 6.784 -3.227 0.127 1.00 0.00 H ATOM 135 HD12 ILE A 10 5.640 -2.557 -1.062 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.015 -1.577 -0.500 1.00 0.00 H ATOM 137 N CYS A 11 3.179 -0.134 -2.907 1.00 0.00 N ATOM 138 CA CYS A 11 2.115 -0.087 -3.896 1.00 0.00 C ATOM 139 C CYS A 11 2.075 -1.434 -4.620 1.00 0.00 C ATOM 140 O CYS A 11 1.684 -1.505 -5.784 1.00 0.00 O ATOM 141 CB CYS A 11 2.299 1.079 -4.869 1.00 0.00 C ATOM 142 SG CYS A 11 0.867 1.400 -5.962 1.00 0.00 S ATOM 143 H CYS A 11 4.102 -0.019 -3.272 1.00 0.00 H ATOM 144 HA CYS A 11 1.188 0.088 -3.351 1.00 0.00 H ATOM 145 HB3 CYS A 11 3.174 0.882 -5.489 1.00 0.00 H ATOM 146 N THR A 12 2.484 -2.469 -3.901 1.00 0.00 N ATOM 147 CA THR A 12 2.498 -3.810 -4.461 1.00 0.00 C ATOM 148 C THR A 12 2.651 -4.850 -3.350 1.00 0.00 C ATOM 149 O THR A 12 3.170 -4.546 -2.277 1.00 0.00 O ATOM 150 CB THR A 12 3.612 -3.873 -5.509 1.00 0.00 C ATOM 151 OG1 THR A 12 3.139 -4.820 -6.462 1.00 0.00 O ATOM 152 CG2 THR A 12 4.895 -4.502 -4.963 1.00 0.00 C ATOM 153 H THR A 12 2.800 -2.403 -2.956 1.00 0.00 H ATOM 154 HA THR A 12 1.537 -3.992 -4.941 1.00 0.00 H ATOM 155 HB THR A 12 3.811 -2.886 -5.926 1.00 0.00 H ATOM 156 HG1 THR A 12 3.120 -5.734 -6.056 1.00 0.00 H ATOM 157 HG21 THR A 12 5.623 -4.601 -5.767 1.00 0.00 H ATOM 158 HG22 THR A 12 5.305 -3.869 -4.177 1.00 0.00 H ATOM 159 HG23 THR A 12 4.670 -5.488 -4.554 1.00 0.00 H ATOM 160 N THR A 13 2.187 -6.056 -3.644 1.00 0.00 N ATOM 161 CA THR A 13 2.265 -7.142 -2.683 1.00 0.00 C ATOM 162 C THR A 13 2.054 -8.488 -3.381 1.00 0.00 C ATOM 163 O THR A 13 0.919 -8.919 -3.576 1.00 0.00 O ATOM 164 CB THR A 13 1.248 -6.867 -1.574 1.00 0.00 C ATOM 165 OG1 THR A 13 1.877 -5.878 -0.764 1.00 0.00 O ATOM 166 CG2 THR A 13 1.070 -8.061 -0.634 1.00 0.00 C ATOM 167 H THR A 13 1.766 -6.295 -4.519 1.00 0.00 H ATOM 168 HA THR A 13 3.270 -7.156 -2.260 1.00 0.00 H ATOM 169 HB THR A 13 0.291 -6.555 -1.993 1.00 0.00 H ATOM 170 HG1 THR A 13 1.415 -4.998 -0.878 1.00 0.00 H ATOM 171 HG21 THR A 13 0.050 -8.072 -0.250 1.00 0.00 H ATOM 172 HG22 THR A 13 1.262 -8.985 -1.178 1.00 0.00 H ATOM 173 HG23 THR A 13 1.770 -7.976 0.198 1.00 0.00 H ATOM 174 N ALA A 14 3.166 -9.114 -3.738 1.00 0.00 N ATOM 175 CA ALA A 14 3.117 -10.401 -4.411 1.00 0.00 C ATOM 176 C ALA A 14 3.488 -11.504 -3.418 1.00 0.00 C ATOM 177 O ALA A 14 3.760 -12.636 -3.815 1.00 0.00 O ATOM 178 CB ALA A 14 4.042 -10.377 -5.628 1.00 0.00 C ATOM 179 H ALA A 14 4.085 -8.757 -3.576 1.00 0.00 H ATOM 180 HA ALA A 14 2.093 -10.559 -4.750 1.00 0.00 H ATOM 181 HB1 ALA A 14 4.870 -11.068 -5.469 1.00 0.00 H ATOM 182 HB2 ALA A 14 3.484 -10.677 -6.515 1.00 0.00 H ATOM 183 HB3 ALA A 14 4.432 -9.369 -5.769 1.00 0.00 H TER 184 ALA A 14