HETATM 1 C ACE A 1 -5.808 14.336 -4.396 1.00 0.00 C HETATM 2 O ACE A 1 -6.070 14.479 -5.591 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.022 15.455 -3.436 1.00 0.00 C HETATM 4 H1 ACE A 1 -6.890 15.238 -2.813 1.00 0.00 H HETATM 5 H2 ACE A 1 -5.140 15.566 -2.804 1.00 0.00 H HETATM 6 H3 ACE A 1 -6.193 16.379 -3.987 1.00 0.00 H ATOM 7 N ILE A 2 -5.329 13.223 -3.861 1.00 0.00 N ATOM 8 CA ILE A 2 -5.070 12.050 -4.679 1.00 0.00 C ATOM 9 C ILE A 2 -4.885 10.831 -3.773 1.00 0.00 C ATOM 10 O ILE A 2 -3.833 10.665 -3.159 1.00 0.00 O ATOM 11 CB ILE A 2 -3.890 12.302 -5.619 1.00 0.00 C ATOM 12 CG1 ILE A 2 -3.236 10.986 -6.046 1.00 0.00 C ATOM 13 CG2 ILE A 2 -2.881 13.264 -4.988 1.00 0.00 C ATOM 14 CD1 ILE A 2 -4.170 10.179 -6.950 1.00 0.00 C ATOM 15 H ILE A 2 -5.118 13.115 -2.889 1.00 0.00 H ATOM 16 HA ILE A 2 -5.949 11.886 -5.303 1.00 0.00 H ATOM 17 HB ILE A 2 -4.269 12.781 -6.523 1.00 0.00 H ATOM 18 HG13 ILE A 2 -2.983 10.399 -5.163 1.00 0.00 H ATOM 19 HG21 ILE A 2 -3.356 14.231 -4.821 1.00 0.00 H ATOM 20 HG22 ILE A 2 -2.540 12.858 -4.035 1.00 0.00 H ATOM 21 HG23 ILE A 2 -2.029 13.388 -5.655 1.00 0.00 H ATOM 22 HD11 ILE A 2 -3.694 9.235 -7.214 1.00 0.00 H ATOM 23 HD12 ILE A 2 -5.104 9.980 -6.425 1.00 0.00 H ATOM 24 HD13 ILE A 2 -4.377 10.747 -7.857 1.00 0.00 H ATOM 25 N TRP A 3 -5.924 10.011 -3.719 1.00 0.00 N ATOM 26 CA TRP A 3 -5.889 8.813 -2.897 1.00 0.00 C ATOM 27 C TRP A 3 -5.725 7.608 -3.826 1.00 0.00 C ATOM 28 O TRP A 3 -6.632 7.278 -4.588 1.00 0.00 O ATOM 29 CB TRP A 3 -7.132 8.720 -2.011 1.00 0.00 C ATOM 30 CG TRP A 3 -8.439 8.543 -2.788 1.00 0.00 C ATOM 31 CD1 TRP A 3 -9.144 7.418 -2.972 1.00 0.00 C ATOM 32 CD2 TRP A 3 -9.173 9.574 -3.482 1.00 0.00 C ATOM 33 NE1 TRP A 3 -10.273 7.647 -3.731 1.00 0.00 N ATOM 34 CE2 TRP A 3 -10.291 9.001 -4.051 1.00 0.00 C ATOM 35 CE3 TRP A 3 -8.900 10.946 -3.624 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -11.227 9.724 -4.801 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -9.844 11.654 -4.376 1.00 0.00 C ATOM 38 CH2 TRP A 3 -10.975 11.092 -4.956 1.00 0.00 C ATOM 39 H TRP A 3 -6.776 10.154 -4.222 1.00 0.00 H ATOM 40 HA TRP A 3 -5.030 8.891 -2.231 1.00 0.00 H ATOM 41 HB3 TRP A 3 -7.202 9.622 -1.404 1.00 0.00 H ATOM 42 HD1 TRP A 3 -8.860 6.444 -2.573 1.00 0.00 H ATOM 43 HE1 TRP A 3 -11.015 6.906 -4.026 1.00 0.00 H ATOM 44 HE3 TRP A 3 -8.024 11.422 -3.185 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -12.103 9.247 -5.240 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -9.681 12.723 -4.518 1.00 0.00 H ATOM 47 HH2 TRP A 3 -11.664 11.714 -5.528 1.00 0.00 H ATOM 48 N GLY A 4 -4.560 6.983 -3.731 1.00 0.00 N ATOM 49 CA GLY A 4 -4.265 5.822 -4.553 1.00 0.00 C ATOM 50 C GLY A 4 -4.251 4.544 -3.712 1.00 0.00 C ATOM 51 O GLY A 4 -5.159 3.722 -3.811 1.00 0.00 O ATOM 52 H GLY A 4 -3.827 7.258 -3.109 1.00 0.00 H ATOM 53 HA2 GLY A 4 -5.011 5.733 -5.343 1.00 0.00 H ATOM 54 HA3 GLY A 4 -3.299 5.952 -5.040 1.00 0.00 H ATOM 55 N CYS A 5 -3.208 4.419 -2.903 1.00 0.00 N ATOM 56 CA CYS A 5 -3.064 3.254 -2.045 1.00 0.00 C ATOM 57 C CYS A 5 -2.965 3.736 -0.597 1.00 0.00 C ATOM 58 O CYS A 5 -2.765 4.916 -0.310 1.00 0.00 O ATOM 59 CB CYS A 5 -1.859 2.401 -2.448 1.00 0.00 C ATOM 60 SG CYS A 5 -0.541 3.307 -3.337 1.00 0.00 S ATOM 61 H CYS A 5 -2.474 5.092 -2.829 1.00 0.00 H ATOM 62 HA CYS A 5 -3.956 2.646 -2.191 1.00 0.00 H ATOM 63 HB3 CYS A 5 -2.205 1.582 -3.077 1.00 0.00 H HETATM 64 N B3S A 6 -3.112 2.779 0.328 1.00 0.00 N HETATM 65 OD B3S A 6 -4.744 2.299 3.209 1.00 0.00 O HETATM 66 CG B3S A 6 -3.510 1.886 2.614 1.00 0.00 C HETATM 67 CB B3S A 6 -2.852 3.004 1.771 1.00 0.00 C HETATM 68 CA B3S A 6 -1.324 3.071 2.029 1.00 0.00 C HETATM 69 C B3S A 6 -0.650 4.407 1.701 1.00 0.00 C HETATM 70 O B3S A 6 -0.667 5.296 2.551 1.00 0.00 O HETATM 71 H B3S A 6 -3.272 1.849 -0.067 1.00 0.00 H HETATM 72 HD B3S A 6 -4.611 3.211 3.493 1.00 0.00 H HETATM 73 HG2 B3S A 6 -2.811 1.554 3.406 1.00 0.00 H HETATM 74 HB B3S A 6 -3.298 3.971 2.093 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.110 2.808 3.081 1.00 0.00 H HETATM 76 HA2 B3S A 6 -0.813 2.281 1.448 1.00 0.00 H ATOM 77 N GLY A 7 -0.098 4.524 0.503 1.00 0.00 N ATOM 78 CA GLY A 7 0.551 5.759 0.095 1.00 0.00 C ATOM 79 C GLY A 7 1.705 5.480 -0.871 1.00 0.00 C ATOM 80 O GLY A 7 1.496 4.921 -1.947 1.00 0.00 O ATOM 81 H GLY A 7 -0.088 3.796 -0.183 1.00 0.00 H ATOM 82 HA2 GLY A 7 -0.177 6.416 -0.381 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.927 6.283 0.974 1.00 0.00 H ATOM 84 N LYS A 8 2.896 5.880 -0.450 1.00 0.00 N ATOM 85 CA LYS A 8 4.082 5.680 -1.265 1.00 0.00 C ATOM 86 C LYS A 8 5.082 4.813 -0.497 1.00 0.00 C ATOM 87 O LYS A 8 6.288 5.045 -0.563 1.00 0.00 O ATOM 88 CB LYS A 8 4.655 7.025 -1.718 1.00 0.00 C ATOM 89 CG LYS A 8 3.735 7.697 -2.740 1.00 0.00 C ATOM 90 CD LYS A 8 3.916 7.080 -4.128 1.00 0.00 C ATOM 91 CE LYS A 8 2.886 7.637 -5.113 1.00 0.00 C ATOM 92 NZ LYS A 8 3.536 7.996 -6.394 1.00 0.00 N ATOM 93 H LYS A 8 3.056 6.334 0.426 1.00 0.00 H ATOM 94 HA LYS A 8 3.776 5.143 -2.162 1.00 0.00 H ATOM 95 HB3 LYS A 8 5.642 6.876 -2.154 1.00 0.00 H ATOM 96 HG3 LYS A 8 3.950 8.764 -2.781 1.00 0.00 H ATOM 97 HD3 LYS A 8 3.815 5.997 -4.065 1.00 0.00 H ATOM 98 HE3 LYS A 8 2.402 8.515 -4.686 1.00 0.00 H ATOM 99 HZ1 LYS A 8 4.369 7.444 -6.565 1.00 0.00 H ATOM 100 HZ2 LYS A 8 2.920 7.851 -7.186 1.00 0.00 H ATOM 101 N LEU A 9 4.544 3.832 0.212 1.00 0.00 N ATOM 102 CA LEU A 9 5.374 2.930 0.991 1.00 0.00 C ATOM 103 C LEU A 9 5.454 1.577 0.281 1.00 0.00 C ATOM 104 O LEU A 9 6.542 1.112 -0.056 1.00 0.00 O ATOM 105 CB LEU A 9 4.862 2.839 2.430 1.00 0.00 C ATOM 106 CG LEU A 9 5.930 2.660 3.512 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.240 2.148 2.910 1.00 0.00 C ATOM 108 CD2 LEU A 9 6.130 3.955 4.303 1.00 0.00 C ATOM 109 H LEU A 9 3.561 3.650 0.259 1.00 0.00 H ATOM 110 HA LEU A 9 6.374 3.358 1.031 1.00 0.00 H ATOM 111 HB3 LEU A 9 4.165 2.004 2.496 1.00 0.00 H ATOM 112 HG LEU A 9 5.581 1.905 4.215 1.00 0.00 H ATOM 113 HD11 LEU A 9 7.808 2.987 2.510 1.00 0.00 H ATOM 114 HD12 LEU A 9 7.824 1.649 3.683 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.020 1.443 2.108 1.00 0.00 H ATOM 116 HD21 LEU A 9 5.221 4.554 4.256 1.00 0.00 H ATOM 117 HD22 LEU A 9 6.353 3.714 5.342 1.00 0.00 H ATOM 118 HD23 LEU A 9 6.959 4.518 3.874 1.00 0.00 H ATOM 119 N ILE A 10 4.289 0.982 0.075 1.00 0.00 N ATOM 120 CA ILE A 10 4.213 -0.308 -0.589 1.00 0.00 C ATOM 121 C ILE A 10 2.862 -0.435 -1.296 1.00 0.00 C ATOM 122 O ILE A 10 1.834 -0.628 -0.648 1.00 0.00 O ATOM 123 CB ILE A 10 4.498 -1.438 0.402 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.997 -1.555 0.685 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.902 -2.760 -0.087 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.787 -1.737 -0.613 1.00 0.00 C ATOM 127 H ILE A 10 3.408 1.367 0.352 1.00 0.00 H ATOM 128 HA ILE A 10 5.001 -0.335 -1.342 1.00 0.00 H ATOM 129 HB ILE A 10 4.010 -1.195 1.346 1.00 0.00 H ATOM 130 HG13 ILE A 10 6.181 -2.399 1.348 1.00 0.00 H ATOM 131 HG21 ILE A 10 4.435 -3.591 0.373 1.00 0.00 H ATOM 132 HG22 ILE A 10 2.848 -2.807 0.187 1.00 0.00 H ATOM 133 HG23 ILE A 10 3.998 -2.822 -1.171 1.00 0.00 H ATOM 134 HD11 ILE A 10 7.553 -2.500 -0.469 1.00 0.00 H ATOM 135 HD12 ILE A 10 6.111 -2.047 -1.410 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.261 -0.793 -0.885 1.00 0.00 H ATOM 137 N CYS A 11 2.907 -0.323 -2.614 1.00 0.00 N ATOM 138 CA CYS A 11 1.699 -0.423 -3.416 1.00 0.00 C ATOM 139 C CYS A 11 1.914 -1.505 -4.477 1.00 0.00 C ATOM 140 O CYS A 11 1.565 -1.315 -5.641 1.00 0.00 O ATOM 141 CB CYS A 11 1.321 0.921 -4.041 1.00 0.00 C ATOM 142 SG CYS A 11 1.106 2.290 -2.845 1.00 0.00 S ATOM 143 H CYS A 11 3.747 -0.167 -3.134 1.00 0.00 H ATOM 144 HA CYS A 11 0.894 -0.703 -2.736 1.00 0.00 H ATOM 145 HB3 CYS A 11 0.394 0.799 -4.601 1.00 0.00 H ATOM 146 N THR A 12 2.487 -2.615 -4.036 1.00 0.00 N ATOM 147 CA THR A 12 2.753 -3.727 -4.932 1.00 0.00 C ATOM 148 C THR A 12 3.069 -4.993 -4.133 1.00 0.00 C ATOM 149 O THR A 12 3.433 -4.916 -2.961 1.00 0.00 O ATOM 150 CB THR A 12 3.879 -3.311 -5.881 1.00 0.00 C ATOM 151 OG1 THR A 12 3.606 -4.030 -7.081 1.00 0.00 O ATOM 152 CG2 THR A 12 5.245 -3.836 -5.434 1.00 0.00 C ATOM 153 H THR A 12 2.768 -2.761 -3.087 1.00 0.00 H ATOM 154 HA THR A 12 1.849 -3.929 -5.507 1.00 0.00 H ATOM 155 HB THR A 12 3.901 -2.229 -6.008 1.00 0.00 H ATOM 156 HG1 THR A 12 3.705 -5.012 -6.921 1.00 0.00 H ATOM 157 HG21 THR A 12 5.238 -4.925 -5.449 1.00 0.00 H ATOM 158 HG22 THR A 12 6.015 -3.468 -6.113 1.00 0.00 H ATOM 159 HG23 THR A 12 5.455 -3.487 -4.423 1.00 0.00 H ATOM 160 N THR A 13 2.917 -6.129 -4.800 1.00 0.00 N ATOM 161 CA THR A 13 3.181 -7.409 -4.166 1.00 0.00 C ATOM 162 C THR A 13 3.293 -8.512 -5.220 1.00 0.00 C ATOM 163 O THR A 13 2.285 -9.071 -5.648 1.00 0.00 O ATOM 164 CB THR A 13 2.079 -7.662 -3.135 1.00 0.00 C ATOM 165 OG1 THR A 13 2.480 -6.895 -2.003 1.00 0.00 O ATOM 166 CG2 THR A 13 2.075 -9.106 -2.626 1.00 0.00 C ATOM 167 H THR A 13 2.620 -6.182 -5.753 1.00 0.00 H ATOM 168 HA THR A 13 4.146 -7.350 -3.661 1.00 0.00 H ATOM 169 HB THR A 13 1.103 -7.387 -3.534 1.00 0.00 H ATOM 170 HG1 THR A 13 3.449 -7.050 -1.811 1.00 0.00 H ATOM 171 HG21 THR A 13 1.978 -9.788 -3.470 1.00 0.00 H ATOM 172 HG22 THR A 13 3.009 -9.308 -2.100 1.00 0.00 H ATOM 173 HG23 THR A 13 1.236 -9.248 -1.945 1.00 0.00 H ATOM 174 N ALA A 14 4.528 -8.793 -5.607 1.00 0.00 N ATOM 175 CA ALA A 14 4.786 -9.820 -6.603 1.00 0.00 C ATOM 176 C ALA A 14 4.643 -11.199 -5.956 1.00 0.00 C ATOM 177 O ALA A 14 4.439 -12.195 -6.648 1.00 0.00 O ATOM 178 CB ALA A 14 6.171 -9.603 -7.215 1.00 0.00 C ATOM 179 H ALA A 14 5.343 -8.334 -5.254 1.00 0.00 H ATOM 180 HA ALA A 14 4.036 -9.716 -7.388 1.00 0.00 H ATOM 181 HB1 ALA A 14 6.768 -8.978 -6.550 1.00 0.00 H ATOM 182 HB2 ALA A 14 6.664 -10.565 -7.347 1.00 0.00 H ATOM 183 HB3 ALA A 14 6.068 -9.111 -8.182 1.00 0.00 H TER 184 ALA A 14