HETATM 1 C ACE A 1 -10.261 0.031 -7.058 1.00 0.00 C HETATM 2 O ACE A 1 -11.241 -0.697 -7.229 1.00 0.00 O HETATM 3 CH3 ACE A 1 -10.422 1.547 -7.015 1.00 0.00 C HETATM 4 H1 ACE A 1 -11.481 1.838 -7.145 1.00 0.00 H HETATM 5 H2 ACE A 1 -10.085 1.964 -6.047 1.00 0.00 H HETATM 6 H3 ACE A 1 -9.845 2.039 -7.820 1.00 0.00 H ATOM 7 N ILE A 2 -9.007 -0.416 -6.905 1.00 0.00 N ATOM 8 CA ILE A 2 -8.642 -1.869 -6.916 1.00 0.00 C ATOM 9 C ILE A 2 -7.801 -2.277 -5.663 1.00 0.00 C ATOM 10 O ILE A 2 -8.184 -3.224 -4.969 1.00 0.00 O ATOM 11 CB ILE A 2 -8.028 -2.374 -8.276 1.00 0.00 C ATOM 12 CG1 ILE A 2 -6.793 -1.577 -8.799 1.00 0.00 C ATOM 13 CG2 ILE A 2 -9.117 -2.491 -9.373 1.00 0.00 C ATOM 14 CD1 ILE A 2 -5.943 -2.296 -9.860 1.00 0.00 C ATOM 15 H ILE A 2 -8.308 0.322 -6.773 1.00 0.00 H ATOM 16 HA ILE A 2 -9.574 -2.457 -6.781 1.00 0.00 H ATOM 17 HB ILE A 2 -7.686 -3.412 -8.092 1.00 0.00 H ATOM 18 HG12 ILE A 2 -7.113 -0.592 -9.190 1.00 0.00 H ATOM 19 HG13 ILE A 2 -6.115 -1.338 -7.962 1.00 0.00 H ATOM 20 HG21 ILE A 2 -9.980 -3.093 -9.031 1.00 0.00 H ATOM 21 HG22 ILE A 2 -9.511 -1.501 -9.672 1.00 0.00 H ATOM 22 HG23 ILE A 2 -8.739 -2.982 -10.287 1.00 0.00 H ATOM 23 HD11 ILE A 2 -5.549 -3.258 -9.483 1.00 0.00 H ATOM 24 HD12 ILE A 2 -6.513 -2.504 -10.783 1.00 0.00 H ATOM 25 HD13 ILE A 2 -5.072 -1.681 -10.152 1.00 0.00 H ATOM 26 N TRP A 3 -6.679 -1.589 -5.365 1.00 0.00 N ATOM 27 CA TRP A 3 -5.804 -1.913 -4.201 1.00 0.00 C ATOM 28 C TRP A 3 -6.279 -1.282 -2.857 1.00 0.00 C ATOM 29 O TRP A 3 -6.523 -2.020 -1.898 1.00 0.00 O ATOM 30 CB TRP A 3 -4.321 -1.542 -4.506 1.00 0.00 C ATOM 31 CG TRP A 3 -3.658 -2.316 -5.650 1.00 0.00 C ATOM 32 CD1 TRP A 3 -3.389 -3.695 -5.638 1.00 0.00 C ATOM 33 CD2 TRP A 3 -3.184 -1.853 -6.864 1.00 0.00 C ATOM 34 NE1 TRP A 3 -2.754 -4.118 -6.820 1.00 0.00 N ATOM 35 CE2 TRP A 3 -2.637 -2.956 -7.567 1.00 0.00 C ATOM 36 CE3 TRP A 3 -3.167 -0.555 -7.437 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -2.062 -2.767 -8.847 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -2.596 -0.395 -8.700 1.00 0.00 C ATOM 39 CH2 TRP A 3 -2.051 -1.483 -9.394 1.00 0.00 C ATOM 40 H TRP A 3 -6.435 -0.860 -6.043 1.00 0.00 H ATOM 41 HA TRP A 3 -5.819 -3.011 -4.046 1.00 0.00 H ATOM 42 HB2 TRP A 3 -4.226 -0.455 -4.686 1.00 0.00 H ATOM 43 HB3 TRP A 3 -3.710 -1.720 -3.599 1.00 0.00 H ATOM 44 HD1 TRP A 3 -3.658 -4.338 -4.813 1.00 0.00 H ATOM 45 HE1 TRP A 3 -2.451 -5.065 -7.073 1.00 0.00 H ATOM 46 HE3 TRP A 3 -3.579 0.294 -6.912 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -1.638 -3.599 -9.391 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -2.572 0.587 -9.150 1.00 0.00 H ATOM 49 HH2 TRP A 3 -1.615 -1.325 -10.370 1.00 0.00 H ATOM 50 N GLY A 4 -6.391 0.059 -2.785 1.00 0.00 N ATOM 51 CA GLY A 4 -6.805 0.769 -1.550 1.00 0.00 C ATOM 52 C GLY A 4 -5.566 1.254 -0.775 1.00 0.00 C ATOM 53 O GLY A 4 -5.123 2.391 -0.964 1.00 0.00 O ATOM 54 H GLY A 4 -6.142 0.544 -3.653 1.00 0.00 H ATOM 55 HA2 GLY A 4 -7.419 1.644 -1.833 1.00 0.00 H ATOM 56 HA3 GLY A 4 -7.468 0.150 -0.913 1.00 0.00 H ATOM 57 N ASP A 5 -5.029 0.385 0.100 1.00 0.00 N ATOM 58 CA ASP A 5 -3.810 0.680 0.904 1.00 0.00 C ATOM 59 C ASP A 5 -3.011 -0.652 1.167 1.00 0.00 C ATOM 60 O ASP A 5 -3.573 -1.753 1.111 1.00 0.00 O ATOM 61 CB ASP A 5 -4.196 1.436 2.217 1.00 0.00 C ATOM 62 CG ASP A 5 -3.006 2.011 3.013 1.00 0.00 C ATOM 63 OD1 ASP A 5 -2.617 1.448 4.040 1.00 0.00 O ATOM 64 H ASP A 5 -5.482 -0.535 0.125 1.00 0.00 H ATOM 65 HA ASP A 5 -3.198 1.362 0.275 1.00 0.00 H ATOM 66 HB2 ASP A 5 -4.894 2.265 1.989 1.00 0.00 H ATOM 67 HB3 ASP A 5 -4.774 0.762 2.878 1.00 0.00 H ATOM 68 N SER A 6 -1.697 -0.568 1.485 1.00 0.00 N ATOM 69 CA SER A 6 -0.845 -1.761 1.756 1.00 0.00 C ATOM 70 C SER A 6 -1.092 -2.436 3.144 1.00 0.00 C ATOM 71 O SER A 6 -1.333 -3.645 3.184 1.00 0.00 O ATOM 72 CB SER A 6 0.644 -1.380 1.572 1.00 0.00 C ATOM 73 OG SER A 6 0.905 -0.889 0.260 1.00 0.00 O ATOM 74 H SER A 6 -1.294 0.365 1.623 1.00 0.00 H ATOM 75 HA SER A 6 -1.064 -2.523 0.982 1.00 0.00 H ATOM 76 HB2 SER A 6 0.956 -0.622 2.315 1.00 0.00 H ATOM 77 HB3 SER A 6 1.291 -2.259 1.752 1.00 0.00 H ATOM 78 HG SER A 6 0.338 -0.124 0.138 1.00 0.00 H ATOM 79 N GLY A 7 -1.022 -1.681 4.262 1.00 0.00 N ATOM 80 CA GLY A 7 -1.233 -2.226 5.626 1.00 0.00 C ATOM 81 C GLY A 7 0.045 -2.742 6.326 1.00 0.00 C ATOM 82 O GLY A 7 0.097 -3.908 6.724 1.00 0.00 O ATOM 83 H GLY A 7 -0.818 -0.688 4.109 1.00 0.00 H ATOM 84 HA2 GLY A 7 -1.682 -1.434 6.253 1.00 0.00 H ATOM 85 HA3 GLY A 7 -1.996 -3.029 5.612 1.00 0.00 H ATOM 86 N LYS A 8 1.057 -1.867 6.480 1.00 0.00 N ATOM 87 CA LYS A 8 2.350 -2.203 7.136 1.00 0.00 C ATOM 88 C LYS A 8 3.015 -0.864 7.582 1.00 0.00 C ATOM 89 O LYS A 8 2.998 -0.552 8.776 1.00 0.00 O ATOM 90 CB LYS A 8 3.237 -3.133 6.247 1.00 0.00 C ATOM 91 CG LYS A 8 4.516 -3.657 6.938 1.00 0.00 C ATOM 92 CD LYS A 8 5.345 -4.588 6.031 1.00 0.00 C ATOM 93 CE LYS A 8 6.620 -5.102 6.725 1.00 0.00 C ATOM 94 NZ LYS A 8 7.388 -5.992 5.831 1.00 0.00 N ATOM 95 H LYS A 8 0.867 -0.931 6.106 1.00 0.00 H ATOM 96 HA LYS A 8 2.121 -2.764 8.064 1.00 0.00 H ATOM 97 HB2 LYS A 8 2.638 -4.006 5.925 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.505 -2.612 5.307 1.00 0.00 H ATOM 99 HG2 LYS A 8 5.141 -2.802 7.258 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.237 -4.190 7.867 1.00 0.00 H ATOM 101 HD2 LYS A 8 4.717 -5.443 5.714 1.00 0.00 H ATOM 102 HD3 LYS A 8 5.613 -4.048 5.102 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.257 -4.251 7.038 1.00 0.00 H ATOM 104 HE3 LYS A 8 6.359 -5.646 7.655 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.677 -5.513 4.970 1.00 0.00 H ATOM 106 HZ2 LYS A 8 8.242 -6.347 6.277 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.839 -6.811 5.543 1.00 0.00 H ATOM 108 N LEU A 9 3.597 -0.092 6.639 1.00 0.00 N ATOM 109 CA LEU A 9 4.255 1.214 6.924 1.00 0.00 C ATOM 110 C LEU A 9 3.761 2.244 5.863 1.00 0.00 C ATOM 111 O LEU A 9 2.956 3.116 6.203 1.00 0.00 O ATOM 112 CB LEU A 9 5.809 1.088 7.017 1.00 0.00 C ATOM 113 CG LEU A 9 6.395 0.291 8.217 1.00 0.00 C ATOM 114 CD1 LEU A 9 7.903 0.044 8.019 1.00 0.00 C ATOM 115 CD2 LEU A 9 6.157 0.983 9.575 1.00 0.00 C ATOM 116 H LEU A 9 3.529 -0.464 5.686 1.00 0.00 H ATOM 117 HA LEU A 9 3.899 1.608 7.897 1.00 0.00 H ATOM 118 HB2 LEU A 9 6.177 0.639 6.074 1.00 0.00 H ATOM 119 HB3 LEU A 9 6.249 2.104 7.028 1.00 0.00 H ATOM 120 HG LEU A 9 5.908 -0.701 8.254 1.00 0.00 H ATOM 121 HD11 LEU A 9 8.330 -0.562 8.840 1.00 0.00 H ATOM 122 HD12 LEU A 9 8.106 -0.507 7.081 1.00 0.00 H ATOM 123 HD13 LEU A 9 8.478 0.988 7.974 1.00 0.00 H ATOM 124 HD21 LEU A 9 6.591 0.403 10.411 1.00 0.00 H ATOM 125 HD22 LEU A 9 6.603 1.995 9.611 1.00 0.00 H ATOM 126 HD23 LEU A 9 5.080 1.091 9.799 1.00 0.00 H ATOM 127 N ILE A 10 4.219 2.146 4.594 1.00 0.00 N ATOM 128 CA ILE A 10 3.807 3.064 3.493 1.00 0.00 C ATOM 129 C ILE A 10 2.544 2.484 2.781 1.00 0.00 C ATOM 130 O ILE A 10 2.600 1.424 2.149 1.00 0.00 O ATOM 131 CB ILE A 10 5.014 3.398 2.538 1.00 0.00 C ATOM 132 CG1 ILE A 10 4.689 4.449 1.433 1.00 0.00 C ATOM 133 CG2 ILE A 10 5.686 2.169 1.870 1.00 0.00 C ATOM 134 CD1 ILE A 10 4.313 5.852 1.935 1.00 0.00 C ATOM 135 H ILE A 10 4.879 1.377 4.434 1.00 0.00 H ATOM 136 HA ILE A 10 3.539 4.036 3.956 1.00 0.00 H ATOM 137 HB ILE A 10 5.800 3.853 3.173 1.00 0.00 H ATOM 138 HG12 ILE A 10 5.565 4.568 0.767 1.00 0.00 H ATOM 139 HG13 ILE A 10 3.884 4.072 0.773 1.00 0.00 H ATOM 140 HG21 ILE A 10 6.032 1.429 2.614 1.00 0.00 H ATOM 141 HG22 ILE A 10 5.001 1.641 1.182 1.00 0.00 H ATOM 142 HG23 ILE A 10 6.577 2.456 1.281 1.00 0.00 H ATOM 143 HD11 ILE A 10 4.175 6.550 1.089 1.00 0.00 H ATOM 144 HD12 ILE A 10 3.368 5.851 2.507 1.00 0.00 H ATOM 145 HD13 ILE A 10 5.100 6.280 2.584 1.00 0.00 H HETATM 146 N SET A 11 1.408 3.199 2.888 1.00 0.00 N HETATM 147 CA SET A 11 0.122 2.780 2.258 1.00 0.00 C HETATM 148 CB SET A 11 0.090 2.885 0.699 1.00 0.00 C HETATM 149 OG SET A 11 -0.379 1.940 0.059 1.00 0.00 O HETATM 150 NT SET A 11 -2.408 3.089 2.486 1.00 0.00 N HETATM 151 C SET A 11 -1.055 3.544 2.933 1.00 0.00 C HETATM 152 H SET A 11 1.476 4.030 3.486 1.00 0.00 H HETATM 153 HA SET A 11 -0.023 1.711 2.509 1.00 0.00 H HETATM 154 HB2 SET A 11 -0.957 3.459 4.037 1.00 0.00 H HETATM 155 HB3 SET A 11 -0.941 4.628 2.739 1.00 0.00 H HETATM 156 HNT2 SET A 11 -2.876 3.413 1.623 1.00 0.00 H ATOM 157 N THR A 12 0.560 4.001 0.100 1.00 0.00 N ATOM 158 CA THR A 12 0.563 4.198 -1.381 1.00 0.00 C ATOM 159 C THR A 12 1.747 3.490 -2.133 1.00 0.00 C ATOM 160 O THR A 12 2.525 4.120 -2.856 1.00 0.00 O ATOM 161 CB THR A 12 0.370 5.720 -1.682 1.00 0.00 C ATOM 162 OG1 THR A 12 0.156 5.912 -3.077 1.00 0.00 O ATOM 163 CG2 THR A 12 1.504 6.670 -1.243 1.00 0.00 C ATOM 164 H THR A 12 0.944 4.704 0.741 1.00 0.00 H ATOM 165 HA THR A 12 -0.356 3.725 -1.783 1.00 0.00 H ATOM 166 HB THR A 12 -0.552 6.058 -1.169 1.00 0.00 H ATOM 167 HG1 THR A 12 -0.618 5.393 -3.307 1.00 0.00 H ATOM 168 HG21 THR A 12 2.459 6.444 -1.751 1.00 0.00 H ATOM 169 HG22 THR A 12 1.255 7.722 -1.478 1.00 0.00 H ATOM 170 HG23 THR A 12 1.689 6.618 -0.155 1.00 0.00 H ATOM 171 N THR A 13 1.850 2.156 -1.973 1.00 0.00 N ATOM 172 CA THR A 13 2.898 1.323 -2.630 1.00 0.00 C ATOM 173 C THR A 13 2.235 -0.053 -2.953 1.00 0.00 C ATOM 174 O THR A 13 2.411 -1.032 -2.219 1.00 0.00 O ATOM 175 CB THR A 13 4.190 1.230 -1.753 1.00 0.00 C ATOM 176 OG1 THR A 13 4.686 2.530 -1.447 1.00 0.00 O ATOM 177 CG2 THR A 13 5.350 0.470 -2.419 1.00 0.00 C ATOM 178 H THR A 13 1.215 1.786 -1.252 1.00 0.00 H ATOM 179 HA THR A 13 3.191 1.788 -3.593 1.00 0.00 H ATOM 180 HB THR A 13 3.945 0.725 -0.798 1.00 0.00 H ATOM 181 HG1 THR A 13 4.772 2.988 -2.286 1.00 0.00 H ATOM 182 HG21 THR A 13 5.087 -0.582 -2.632 1.00 0.00 H ATOM 183 HG22 THR A 13 5.654 0.937 -3.375 1.00 0.00 H ATOM 184 HG23 THR A 13 6.242 0.451 -1.766 1.00 0.00 H ATOM 185 N ALA A 14 1.464 -0.118 -4.058 1.00 0.00 N ATOM 186 CA ALA A 14 0.760 -1.355 -4.486 1.00 0.00 C ATOM 187 C ALA A 14 0.486 -1.323 -6.005 1.00 0.00 C ATOM 188 O ALA A 14 0.091 -0.331 -6.620 1.00 0.00 O ATOM 189 CB ALA A 14 -0.561 -1.524 -3.707 1.00 0.00 C ATOM 190 OXT ALA A 14 0.706 -2.540 -6.594 1.00 0.00 O ATOM 191 H ALA A 14 1.374 0.763 -4.576 1.00 0.00 H ATOM 192 HA ALA A 14 1.402 -2.233 -4.273 1.00 0.00 H ATOM 193 HB1 ALA A 14 -0.389 -1.575 -2.615 1.00 0.00 H ATOM 194 HB2 ALA A 14 -1.265 -0.690 -3.890 1.00 0.00 H ATOM 195 HB3 ALA A 14 -1.079 -2.460 -3.988 1.00 0.00 H ATOM 196 HXT ALA A 14 0.512 -2.510 -7.534 1.00 0.00 H TER 197 ALA A 14