HETATM 1 C ACE A 1 -6.809 2.263 -4.268 1.00 0.00 C HETATM 2 O ACE A 1 -6.148 2.006 -5.276 1.00 0.00 O HETATM 3 CH3 ACE A 1 -7.931 3.294 -4.322 1.00 0.00 C HETATM 4 H1 ACE A 1 -7.746 4.134 -3.626 1.00 0.00 H HETATM 5 H2 ACE A 1 -8.026 3.722 -5.337 1.00 0.00 H HETATM 6 H3 ACE A 1 -8.906 2.842 -4.065 1.00 0.00 H ATOM 7 N ILE A 2 -6.611 1.683 -3.074 1.00 0.00 N ATOM 8 CA ILE A 2 -5.561 0.646 -2.837 1.00 0.00 C ATOM 9 C ILE A 2 -6.130 -0.767 -3.163 1.00 0.00 C ATOM 10 O ILE A 2 -7.235 -1.118 -2.735 1.00 0.00 O ATOM 11 CB ILE A 2 -4.873 0.763 -1.427 1.00 0.00 C ATOM 12 CG1 ILE A 2 -5.788 0.649 -0.165 1.00 0.00 C ATOM 13 CG2 ILE A 2 -4.014 2.050 -1.337 1.00 0.00 C ATOM 14 CD1 ILE A 2 -6.044 -0.780 0.342 1.00 0.00 C ATOM 15 H ILE A 2 -7.251 1.991 -2.335 1.00 0.00 H ATOM 16 HA ILE A 2 -4.750 0.828 -3.571 1.00 0.00 H ATOM 17 HB ILE A 2 -4.133 -0.059 -1.363 1.00 0.00 H ATOM 18 HG12 ILE A 2 -5.334 1.193 0.686 1.00 0.00 H ATOM 19 HG13 ILE A 2 -6.752 1.163 -0.335 1.00 0.00 H ATOM 20 HG21 ILE A 2 -4.632 2.967 -1.357 1.00 0.00 H ATOM 21 HG22 ILE A 2 -3.413 2.080 -0.408 1.00 0.00 H ATOM 22 HG23 ILE A 2 -3.293 2.123 -2.173 1.00 0.00 H ATOM 23 HD11 ILE A 2 -5.099 -1.313 0.554 1.00 0.00 H ATOM 24 HD12 ILE A 2 -6.623 -0.766 1.283 1.00 0.00 H ATOM 25 HD13 ILE A 2 -6.616 -1.394 -0.373 1.00 0.00 H ATOM 26 N TRP A 3 -5.369 -1.563 -3.939 1.00 0.00 N ATOM 27 CA TRP A 3 -5.793 -2.929 -4.357 1.00 0.00 C ATOM 28 C TRP A 3 -4.580 -3.884 -4.199 1.00 0.00 C ATOM 29 O TRP A 3 -3.597 -3.789 -4.943 1.00 0.00 O ATOM 30 CB TRP A 3 -6.341 -2.950 -5.814 1.00 0.00 C ATOM 31 CG TRP A 3 -7.478 -1.962 -6.137 1.00 0.00 C ATOM 32 CD1 TRP A 3 -8.736 -1.914 -5.501 1.00 0.00 C ATOM 33 CD2 TRP A 3 -7.443 -0.851 -6.965 1.00 0.00 C ATOM 34 NE1 TRP A 3 -9.498 -0.808 -5.921 1.00 0.00 N ATOM 35 CE2 TRP A 3 -8.673 -0.158 -6.823 1.00 0.00 C ATOM 36 CE3 TRP A 3 -6.416 -0.326 -7.794 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -8.884 1.062 -7.508 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -6.653 0.874 -8.467 1.00 0.00 C ATOM 39 CH2 TRP A 3 -7.867 1.557 -8.326 1.00 0.00 C ATOM 40 H TRP A 3 -4.489 -1.146 -4.262 1.00 0.00 H ATOM 41 HA TRP A 3 -6.620 -3.285 -3.707 1.00 0.00 H ATOM 42 HB2 TRP A 3 -5.505 -2.790 -6.521 1.00 0.00 H ATOM 43 HB3 TRP A 3 -6.698 -3.974 -6.036 1.00 0.00 H ATOM 44 HD1 TRP A 3 -9.022 -2.570 -4.694 1.00 0.00 H ATOM 45 HE1 TRP A 3 -10.413 -0.502 -5.572 1.00 0.00 H ATOM 46 HE3 TRP A 3 -5.466 -0.829 -7.895 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -9.809 1.609 -7.392 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -5.881 1.289 -9.098 1.00 0.00 H ATOM 49 HH2 TRP A 3 -8.016 2.490 -8.851 1.00 0.00 H ATOM 50 N GLY A 4 -4.659 -4.793 -3.210 1.00 0.00 N ATOM 51 CA GLY A 4 -3.581 -5.772 -2.920 1.00 0.00 C ATOM 52 C GLY A 4 -2.331 -5.121 -2.298 1.00 0.00 C ATOM 53 O GLY A 4 -2.346 -4.743 -1.123 1.00 0.00 O ATOM 54 H GLY A 4 -5.557 -4.790 -2.715 1.00 0.00 H ATOM 55 HA2 GLY A 4 -3.968 -6.519 -2.205 1.00 0.00 H ATOM 56 HA3 GLY A 4 -3.335 -6.350 -3.833 1.00 0.00 H HETATM 57 N SET A 5 -1.263 -5.007 -3.108 1.00 0.00 N HETATM 58 CA SET A 5 0.006 -4.364 -2.681 1.00 0.00 C HETATM 59 CB SET A 5 0.017 -2.961 -3.355 1.00 0.00 C HETATM 60 OG SET A 5 0.365 -2.827 -4.534 1.00 0.00 O HETATM 61 NT SET A 5 2.425 -4.876 -2.264 1.00 0.00 N HETATM 62 C SET A 5 1.224 -5.265 -3.041 1.00 0.00 C HETATM 63 H SET A 5 -1.417 -5.325 -4.071 1.00 0.00 H HETATM 64 HA SET A 5 0.004 -4.243 -1.577 1.00 0.00 H HETATM 65 HB2 SET A 5 0.989 -6.334 -2.862 1.00 0.00 H HETATM 66 HB3 SET A 5 1.452 -5.210 -4.122 1.00 0.00 H HETATM 67 HNT2 SET A 5 2.981 -4.049 -2.509 1.00 0.00 H ATOM 68 N SER A 6 -0.413 -1.930 -2.604 1.00 0.00 N ATOM 69 CA SER A 6 -0.504 -0.536 -3.106 1.00 0.00 C ATOM 70 C SER A 6 -0.423 0.427 -1.893 1.00 0.00 C ATOM 71 O SER A 6 -1.127 0.258 -0.889 1.00 0.00 O ATOM 72 CB SER A 6 -1.837 -0.299 -3.862 1.00 0.00 C ATOM 73 OG SER A 6 -1.897 -1.038 -5.077 1.00 0.00 O ATOM 74 H SER A 6 -0.466 -2.120 -1.596 1.00 0.00 H ATOM 75 HA SER A 6 0.334 -0.338 -3.805 1.00 0.00 H ATOM 76 HB2 SER A 6 -2.700 -0.573 -3.228 1.00 0.00 H ATOM 77 HB3 SER A 6 -1.966 0.773 -4.103 1.00 0.00 H ATOM 78 HG SER A 6 -1.674 -1.946 -4.853 1.00 0.00 H ATOM 79 N GLY A 7 0.428 1.454 -2.011 1.00 0.00 N ATOM 80 CA GLY A 7 0.607 2.456 -0.941 1.00 0.00 C ATOM 81 C GLY A 7 1.734 3.428 -1.306 1.00 0.00 C ATOM 82 O GLY A 7 1.494 4.422 -1.998 1.00 0.00 O ATOM 83 H GLY A 7 0.945 1.496 -2.897 1.00 0.00 H ATOM 84 HA2 GLY A 7 -0.333 3.024 -0.800 1.00 0.00 H ATOM 85 HA3 GLY A 7 0.804 1.958 0.030 1.00 0.00 H ATOM 86 N LYS A 8 2.951 3.138 -0.816 1.00 0.00 N ATOM 87 CA LYS A 8 4.156 3.976 -1.086 1.00 0.00 C ATOM 88 C LYS A 8 5.400 3.077 -0.811 1.00 0.00 C ATOM 89 O LYS A 8 5.811 2.337 -1.710 1.00 0.00 O ATOM 90 CB LYS A 8 4.097 5.361 -0.361 1.00 0.00 C ATOM 91 CG LYS A 8 5.222 6.345 -0.760 1.00 0.00 C ATOM 92 CD LYS A 8 5.102 7.774 -0.181 1.00 0.00 C ATOM 93 CE LYS A 8 5.419 7.948 1.320 1.00 0.00 C ATOM 94 NZ LYS A 8 4.281 7.602 2.200 1.00 0.00 N ATOM 95 H LYS A 8 3.003 2.184 -0.431 1.00 0.00 H ATOM 96 HA LYS A 8 4.175 4.189 -2.174 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.128 5.848 -0.580 1.00 0.00 H ATOM 98 HB3 LYS A 8 4.097 5.204 0.733 1.00 0.00 H ATOM 99 HG2 LYS A 8 6.211 5.922 -0.501 1.00 0.00 H ATOM 100 HG3 LYS A 8 5.233 6.429 -1.864 1.00 0.00 H ATOM 101 HD2 LYS A 8 5.823 8.403 -0.738 1.00 0.00 H ATOM 102 HD3 LYS A 8 4.116 8.211 -0.433 1.00 0.00 H ATOM 103 HE2 LYS A 8 6.313 7.358 1.601 1.00 0.00 H ATOM 104 HE3 LYS A 8 5.698 9.003 1.508 1.00 0.00 H ATOM 105 HZ1 LYS A 8 3.994 6.623 2.088 1.00 0.00 H ATOM 106 HZ2 LYS A 8 4.503 7.738 3.193 1.00 0.00 H ATOM 107 HZ3 LYS A 8 3.455 8.177 1.997 1.00 0.00 H ATOM 108 N LEU A 9 5.994 3.128 0.401 1.00 0.00 N ATOM 109 CA LEU A 9 7.168 2.285 0.773 1.00 0.00 C ATOM 110 C LEU A 9 6.750 0.840 1.220 1.00 0.00 C ATOM 111 O LEU A 9 7.450 -0.108 0.852 1.00 0.00 O ATOM 112 CB LEU A 9 8.071 3.069 1.778 1.00 0.00 C ATOM 113 CG LEU A 9 9.378 2.373 2.258 1.00 0.00 C ATOM 114 CD1 LEU A 9 10.387 2.128 1.118 1.00 0.00 C ATOM 115 CD2 LEU A 9 10.049 3.193 3.377 1.00 0.00 C ATOM 116 H LEU A 9 5.565 3.781 1.064 1.00 0.00 H ATOM 117 HA LEU A 9 7.788 2.154 -0.136 1.00 0.00 H ATOM 118 HB2 LEU A 9 8.357 4.044 1.329 1.00 0.00 H ATOM 119 HB3 LEU A 9 7.474 3.344 2.668 1.00 0.00 H ATOM 120 HG LEU A 9 9.113 1.391 2.693 1.00 0.00 H ATOM 121 HD11 LEU A 9 10.688 3.068 0.617 1.00 0.00 H ATOM 122 HD12 LEU A 9 11.310 1.642 1.486 1.00 0.00 H ATOM 123 HD13 LEU A 9 9.973 1.459 0.340 1.00 0.00 H ATOM 124 HD21 LEU A 9 10.356 4.199 3.031 1.00 0.00 H ATOM 125 HD22 LEU A 9 9.372 3.336 4.240 1.00 0.00 H ATOM 126 HD23 LEU A 9 10.953 2.690 3.766 1.00 0.00 H ATOM 127 N ILE A 10 5.656 0.659 1.998 1.00 0.00 N ATOM 128 CA ILE A 10 5.165 -0.678 2.440 1.00 0.00 C ATOM 129 C ILE A 10 4.055 -1.165 1.451 1.00 0.00 C ATOM 130 O ILE A 10 3.288 -0.375 0.882 1.00 0.00 O ATOM 131 CB ILE A 10 4.740 -0.698 3.957 1.00 0.00 C ATOM 132 CG1 ILE A 10 3.857 0.465 4.508 1.00 0.00 C ATOM 133 CG2 ILE A 10 5.988 -0.828 4.865 1.00 0.00 C ATOM 134 CD1 ILE A 10 2.469 0.630 3.877 1.00 0.00 C ATOM 135 H ILE A 10 5.028 1.465 2.079 1.00 0.00 H ATOM 136 HA ILE A 10 5.999 -1.405 2.343 1.00 0.00 H ATOM 137 HB ILE A 10 4.167 -1.630 4.124 1.00 0.00 H ATOM 138 HG12 ILE A 10 3.698 0.312 5.593 1.00 0.00 H ATOM 139 HG13 ILE A 10 4.400 1.426 4.436 1.00 0.00 H ATOM 140 HG21 ILE A 10 6.600 -1.710 4.599 1.00 0.00 H ATOM 141 HG22 ILE A 10 6.647 0.058 4.794 1.00 0.00 H ATOM 142 HG23 ILE A 10 5.716 -0.950 5.930 1.00 0.00 H ATOM 143 HD11 ILE A 10 1.857 1.351 4.449 1.00 0.00 H ATOM 144 HD12 ILE A 10 2.528 1.015 2.844 1.00 0.00 H ATOM 145 HD13 ILE A 10 1.912 -0.324 3.849 1.00 0.00 H ATOM 146 N ASP A 11 3.978 -2.493 1.250 1.00 0.00 N ATOM 147 CA ASP A 11 2.991 -3.117 0.329 1.00 0.00 C ATOM 148 C ASP A 11 1.528 -3.115 0.884 1.00 0.00 C ATOM 149 O ASP A 11 0.678 -2.410 0.332 1.00 0.00 O ATOM 150 CB ASP A 11 3.558 -4.504 -0.114 1.00 0.00 C ATOM 151 CG ASP A 11 2.631 -5.335 -1.020 1.00 0.00 C ATOM 152 OD1 ASP A 11 2.051 -6.319 -0.554 1.00 0.00 O ATOM 153 H ASP A 11 4.653 -3.055 1.779 1.00 0.00 H ATOM 154 HA ASP A 11 2.965 -2.505 -0.595 1.00 0.00 H ATOM 155 HB2 ASP A 11 4.533 -4.373 -0.623 1.00 0.00 H ATOM 156 HB3 ASP A 11 3.790 -5.116 0.780 1.00 0.00 H ATOM 157 N THR A 12 1.239 -3.887 1.950 1.00 0.00 N ATOM 158 CA THR A 12 -0.124 -3.979 2.543 1.00 0.00 C ATOM 159 C THR A 12 -0.538 -2.695 3.330 1.00 0.00 C ATOM 160 O THR A 12 0.178 -2.242 4.229 1.00 0.00 O ATOM 161 CB THR A 12 -0.257 -5.297 3.366 1.00 0.00 C ATOM 162 OG1 THR A 12 -1.615 -5.475 3.756 1.00 0.00 O ATOM 163 CG2 THR A 12 0.617 -5.429 4.630 1.00 0.00 C ATOM 164 H THR A 12 2.031 -4.421 2.324 1.00 0.00 H ATOM 165 HA THR A 12 -0.824 -4.114 1.691 1.00 0.00 H ATOM 166 HB THR A 12 0.000 -6.143 2.699 1.00 0.00 H ATOM 167 HG1 THR A 12 -1.641 -6.289 4.263 1.00 0.00 H ATOM 168 HG21 THR A 12 1.693 -5.327 4.397 1.00 0.00 H ATOM 169 HG22 THR A 12 0.369 -4.661 5.385 1.00 0.00 H ATOM 170 HG23 THR A 12 0.484 -6.415 5.111 1.00 0.00 H ATOM 171 N THR A 13 -1.702 -2.127 2.965 1.00 0.00 N ATOM 172 CA THR A 13 -2.261 -0.905 3.609 1.00 0.00 C ATOM 173 C THR A 13 -3.685 -1.261 4.125 1.00 0.00 C ATOM 174 O THR A 13 -4.672 -1.188 3.385 1.00 0.00 O ATOM 175 CB THR A 13 -2.254 0.338 2.664 1.00 0.00 C ATOM 176 OG1 THR A 13 -2.858 0.049 1.407 1.00 0.00 O ATOM 177 CG2 THR A 13 -0.860 0.923 2.396 1.00 0.00 C ATOM 178 H THR A 13 -2.219 -2.633 2.239 1.00 0.00 H ATOM 179 HA THR A 13 -1.648 -0.616 4.489 1.00 0.00 H ATOM 180 HB THR A 13 -2.849 1.138 3.144 1.00 0.00 H ATOM 181 HG1 THR A 13 -2.168 -0.345 0.866 1.00 0.00 H ATOM 182 HG21 THR A 13 -0.367 1.236 3.334 1.00 0.00 H ATOM 183 HG22 THR A 13 -0.194 0.197 1.894 1.00 0.00 H ATOM 184 HG23 THR A 13 -0.922 1.817 1.749 1.00 0.00 H ATOM 185 N ALA A 14 -3.776 -1.653 5.411 1.00 0.00 N ATOM 186 CA ALA A 14 -5.058 -2.031 6.055 1.00 0.00 C ATOM 187 C ALA A 14 -5.736 -0.800 6.697 1.00 0.00 C ATOM 188 O ALA A 14 -5.288 -0.192 7.670 1.00 0.00 O ATOM 189 CB ALA A 14 -4.781 -3.136 7.090 1.00 0.00 C ATOM 190 OXT ALA A 14 -6.895 -0.454 6.053 1.00 0.00 O ATOM 191 H ALA A 14 -2.877 -1.728 5.898 1.00 0.00 H ATOM 192 HA ALA A 14 -5.745 -2.468 5.303 1.00 0.00 H ATOM 193 HB1 ALA A 14 -5.713 -3.474 7.579 1.00 0.00 H ATOM 194 HB2 ALA A 14 -4.327 -4.031 6.624 1.00 0.00 H ATOM 195 HB3 ALA A 14 -4.096 -2.801 7.893 1.00 0.00 H ATOM 196 HXT ALA A 14 -7.301 0.315 6.458 1.00 0.00 H TER 197 ALA A 14