HETATM 1 C ACE A 1 -5.075 -4.289 3.699 1.00 0.00 C HETATM 2 O ACE A 1 -6.045 -4.914 3.263 1.00 0.00 O HETATM 3 CH3 ACE A 1 -3.967 -5.011 4.457 1.00 0.00 C HETATM 4 H1 ACE A 1 -4.188 -6.090 4.550 1.00 0.00 H HETATM 5 H2 ACE A 1 -2.997 -4.921 3.934 1.00 0.00 H HETATM 6 H3 ACE A 1 -3.845 -4.610 5.481 1.00 0.00 H ATOM 7 N ILE A 2 -4.904 -2.969 3.542 1.00 0.00 N ATOM 8 CA ILE A 2 -5.886 -2.099 2.822 1.00 0.00 C ATOM 9 C ILE A 2 -5.678 -2.198 1.275 1.00 0.00 C ATOM 10 O ILE A 2 -4.546 -2.240 0.782 1.00 0.00 O ATOM 11 CB ILE A 2 -5.919 -0.629 3.367 1.00 0.00 C ATOM 12 CG1 ILE A 2 -4.581 0.155 3.227 1.00 0.00 C ATOM 13 CG2 ILE A 2 -6.476 -0.575 4.814 1.00 0.00 C ATOM 14 CD1 ILE A 2 -4.708 1.671 3.431 1.00 0.00 C ATOM 15 H ILE A 2 -4.039 -2.595 3.947 1.00 0.00 H ATOM 16 HA ILE A 2 -6.896 -2.509 3.036 1.00 0.00 H ATOM 17 HB ILE A 2 -6.662 -0.088 2.749 1.00 0.00 H ATOM 18 HG12 ILE A 2 -3.819 -0.250 3.919 1.00 0.00 H ATOM 19 HG13 ILE A 2 -4.161 -0.003 2.216 1.00 0.00 H ATOM 20 HG21 ILE A 2 -6.659 0.461 5.152 1.00 0.00 H ATOM 21 HG22 ILE A 2 -7.442 -1.105 4.901 1.00 0.00 H ATOM 22 HG23 ILE A 2 -5.784 -1.038 5.543 1.00 0.00 H ATOM 23 HD11 ILE A 2 -5.481 2.102 2.769 1.00 0.00 H ATOM 24 HD12 ILE A 2 -4.980 1.926 4.471 1.00 0.00 H ATOM 25 HD13 ILE A 2 -3.756 2.182 3.202 1.00 0.00 H ATOM 26 N TRP A 3 -6.792 -2.215 0.523 1.00 0.00 N ATOM 27 CA TRP A 3 -6.774 -2.354 -0.961 1.00 0.00 C ATOM 28 C TRP A 3 -6.470 -1.045 -1.746 1.00 0.00 C ATOM 29 O TRP A 3 -6.632 0.079 -1.258 1.00 0.00 O ATOM 30 CB TRP A 3 -8.105 -3.016 -1.431 1.00 0.00 C ATOM 31 CG TRP A 3 -8.156 -4.530 -1.195 1.00 0.00 C ATOM 32 CD1 TRP A 3 -8.683 -5.156 -0.053 1.00 0.00 C ATOM 33 CD2 TRP A 3 -7.622 -5.548 -1.966 1.00 0.00 C ATOM 34 NE1 TRP A 3 -8.504 -6.552 -0.088 1.00 0.00 N ATOM 35 CE2 TRP A 3 -7.837 -6.772 -1.283 1.00 0.00 C ATOM 36 CE3 TRP A 3 -6.908 -5.523 -3.191 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -7.339 -7.982 -1.823 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -6.434 -6.730 -3.708 1.00 0.00 C ATOM 39 CH2 TRP A 3 -6.647 -7.941 -3.035 1.00 0.00 C ATOM 40 H TRP A 3 -7.654 -2.029 1.046 1.00 0.00 H ATOM 41 HA TRP A 3 -5.959 -3.067 -1.211 1.00 0.00 H ATOM 42 HB2 TRP A 3 -8.978 -2.520 -0.965 1.00 0.00 H ATOM 43 HB3 TRP A 3 -8.257 -2.854 -2.515 1.00 0.00 H ATOM 44 HD1 TRP A 3 -9.108 -4.608 0.771 1.00 0.00 H ATOM 45 HE1 TRP A 3 -8.757 -7.241 0.630 1.00 0.00 H ATOM 46 HE3 TRP A 3 -6.721 -4.594 -3.710 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -7.482 -8.919 -1.305 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -5.885 -6.730 -4.638 1.00 0.00 H ATOM 49 HH2 TRP A 3 -6.260 -8.857 -3.456 1.00 0.00 H ATOM 50 N GLY A 4 -6.024 -1.252 -2.997 1.00 0.00 N ATOM 51 CA GLY A 4 -5.663 -0.159 -3.930 1.00 0.00 C ATOM 52 C GLY A 4 -4.208 0.334 -3.767 1.00 0.00 C ATOM 53 O GLY A 4 -3.314 -0.436 -3.398 1.00 0.00 O ATOM 54 H GLY A 4 -5.989 -2.247 -3.250 1.00 0.00 H ATOM 55 HA2 GLY A 4 -5.788 -0.528 -4.964 1.00 0.00 H ATOM 56 HA3 GLY A 4 -6.386 0.676 -3.834 1.00 0.00 H HETATM 57 N SET A 5 -3.981 1.623 -4.088 1.00 0.00 N HETATM 58 CA SET A 5 -2.640 2.256 -3.953 1.00 0.00 C HETATM 59 CB SET A 5 -2.701 3.178 -2.704 1.00 0.00 C HETATM 60 OG SET A 5 -3.095 4.345 -2.801 1.00 0.00 O HETATM 61 NT SET A 5 -0.721 3.131 -5.306 1.00 0.00 N HETATM 62 C SET A 5 -2.197 2.967 -5.267 1.00 0.00 C HETATM 63 H SET A 5 -4.812 2.155 -4.368 1.00 0.00 H HETATM 64 HA SET A 5 -1.892 1.465 -3.767 1.00 0.00 H HETATM 65 HB2 SET A 5 -2.547 2.401 -6.154 1.00 0.00 H HETATM 66 HB3 SET A 5 -2.682 3.957 -5.365 1.00 0.00 H HETATM 67 HNT2 SET A 5 -0.236 3.752 -4.648 1.00 0.00 H ATOM 68 N SER A 6 -2.333 2.630 -1.528 1.00 0.00 N ATOM 69 CA SER A 6 -2.380 3.367 -0.240 1.00 0.00 C ATOM 70 C SER A 6 -1.571 2.563 0.812 1.00 0.00 C ATOM 71 O SER A 6 -1.954 1.454 1.200 1.00 0.00 O ATOM 72 CB SER A 6 -3.837 3.626 0.238 1.00 0.00 C ATOM 73 OG SER A 6 -4.616 2.431 0.278 1.00 0.00 O ATOM 74 H SER A 6 -1.880 1.709 -1.586 1.00 0.00 H ATOM 75 HA SER A 6 -1.911 4.361 -0.390 1.00 0.00 H ATOM 76 HB2 SER A 6 -3.840 4.103 1.236 1.00 0.00 H ATOM 77 HB3 SER A 6 -4.332 4.351 -0.434 1.00 0.00 H ATOM 78 HG SER A 6 -5.514 2.696 0.490 1.00 0.00 H ATOM 79 N GLY A 7 -0.452 3.141 1.271 1.00 0.00 N ATOM 80 CA GLY A 7 0.414 2.492 2.276 1.00 0.00 C ATOM 81 C GLY A 7 1.423 3.503 2.831 1.00 0.00 C ATOM 82 O GLY A 7 1.094 4.250 3.758 1.00 0.00 O ATOM 83 H GLY A 7 -0.248 4.071 0.889 1.00 0.00 H ATOM 84 HA2 GLY A 7 -0.193 2.098 3.115 1.00 0.00 H ATOM 85 HA3 GLY A 7 0.919 1.611 1.833 1.00 0.00 H ATOM 86 N LYS A 8 2.647 3.508 2.274 1.00 0.00 N ATOM 87 CA LYS A 8 3.723 4.446 2.708 1.00 0.00 C ATOM 88 C LYS A 8 4.773 4.585 1.563 1.00 0.00 C ATOM 89 O LYS A 8 4.659 5.519 0.763 1.00 0.00 O ATOM 90 CB LYS A 8 4.292 4.099 4.122 1.00 0.00 C ATOM 91 CG LYS A 8 5.179 5.205 4.739 1.00 0.00 C ATOM 92 CD LYS A 8 5.742 4.819 6.121 1.00 0.00 C ATOM 93 CE LYS A 8 6.656 5.910 6.708 1.00 0.00 C ATOM 94 NZ LYS A 8 7.177 5.511 8.031 1.00 0.00 N ATOM 95 H LYS A 8 2.703 2.943 1.416 1.00 0.00 H ATOM 96 HA LYS A 8 3.257 5.448 2.800 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.456 3.909 4.822 1.00 0.00 H ATOM 98 HB3 LYS A 8 4.845 3.142 4.081 1.00 0.00 H ATOM 99 HG2 LYS A 8 6.013 5.439 4.051 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.592 6.140 4.823 1.00 0.00 H ATOM 101 HD2 LYS A 8 4.902 4.615 6.814 1.00 0.00 H ATOM 102 HD3 LYS A 8 6.301 3.867 6.036 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.503 6.112 6.022 1.00 0.00 H ATOM 104 HE3 LYS A 8 6.104 6.866 6.800 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.724 4.643 7.981 1.00 0.00 H ATOM 106 HZ2 LYS A 8 7.789 6.227 8.439 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.421 5.345 8.706 1.00 0.00 H ATOM 108 N LEU A 9 5.775 3.683 1.472 1.00 0.00 N ATOM 109 CA LEU A 9 6.829 3.738 0.413 1.00 0.00 C ATOM 110 C LEU A 9 6.443 3.052 -0.940 1.00 0.00 C ATOM 111 O LEU A 9 6.956 3.486 -1.976 1.00 0.00 O ATOM 112 CB LEU A 9 8.218 3.211 0.906 1.00 0.00 C ATOM 113 CG LEU A 9 8.892 3.787 2.185 1.00 0.00 C ATOM 114 CD1 LEU A 9 8.909 5.327 2.247 1.00 0.00 C ATOM 115 CD2 LEU A 9 8.369 3.174 3.498 1.00 0.00 C ATOM 116 H LEU A 9 5.773 2.959 2.198 1.00 0.00 H ATOM 117 HA LEU A 9 7.000 4.805 0.162 1.00 0.00 H ATOM 118 HB2 LEU A 9 8.203 2.108 0.993 1.00 0.00 H ATOM 119 HB3 LEU A 9 8.949 3.389 0.089 1.00 0.00 H ATOM 120 HG LEU A 9 9.947 3.466 2.120 1.00 0.00 H ATOM 121 HD11 LEU A 9 7.893 5.750 2.353 1.00 0.00 H ATOM 122 HD12 LEU A 9 9.507 5.695 3.102 1.00 0.00 H ATOM 123 HD13 LEU A 9 9.353 5.765 1.334 1.00 0.00 H ATOM 124 HD21 LEU A 9 7.322 3.449 3.706 1.00 0.00 H ATOM 125 HD22 LEU A 9 8.418 2.070 3.480 1.00 0.00 H ATOM 126 HD23 LEU A 9 8.967 3.504 4.367 1.00 0.00 H ATOM 127 N ILE A 10 5.588 2.004 -0.951 1.00 0.00 N ATOM 128 CA ILE A 10 5.171 1.287 -2.193 1.00 0.00 C ATOM 129 C ILE A 10 3.623 1.375 -2.367 1.00 0.00 C ATOM 130 O ILE A 10 2.859 1.354 -1.393 1.00 0.00 O ATOM 131 CB ILE A 10 5.686 -0.200 -2.237 1.00 0.00 C ATOM 132 CG1 ILE A 10 5.204 -1.110 -1.065 1.00 0.00 C ATOM 133 CG2 ILE A 10 7.225 -0.264 -2.410 1.00 0.00 C ATOM 134 CD1 ILE A 10 5.279 -2.620 -1.343 1.00 0.00 C ATOM 135 H ILE A 10 5.103 1.826 -0.063 1.00 0.00 H ATOM 136 HA ILE A 10 5.618 1.796 -3.073 1.00 0.00 H ATOM 137 HB ILE A 10 5.274 -0.641 -3.166 1.00 0.00 H ATOM 138 HG12 ILE A 10 5.762 -0.873 -0.140 1.00 0.00 H ATOM 139 HG13 ILE A 10 4.149 -0.884 -0.824 1.00 0.00 H ATOM 140 HG21 ILE A 10 7.758 0.113 -1.517 1.00 0.00 H ATOM 141 HG22 ILE A 10 7.580 -1.295 -2.591 1.00 0.00 H ATOM 142 HG23 ILE A 10 7.565 0.340 -3.271 1.00 0.00 H ATOM 143 HD11 ILE A 10 6.317 -2.961 -1.505 1.00 0.00 H ATOM 144 HD12 ILE A 10 4.872 -3.200 -0.495 1.00 0.00 H ATOM 145 HD13 ILE A 10 4.692 -2.896 -2.238 1.00 0.00 H ATOM 146 N ASP A 11 3.167 1.447 -3.632 1.00 0.00 N ATOM 147 CA ASP A 11 1.717 1.503 -3.964 1.00 0.00 C ATOM 148 C ASP A 11 0.989 0.128 -3.773 1.00 0.00 C ATOM 149 O ASP A 11 -0.052 0.109 -3.116 1.00 0.00 O ATOM 150 CB ASP A 11 1.533 2.133 -5.381 1.00 0.00 C ATOM 151 CG ASP A 11 0.073 2.210 -5.876 1.00 0.00 C ATOM 152 OD1 ASP A 11 -0.331 1.379 -6.693 1.00 0.00 O ATOM 153 H ASP A 11 3.889 1.438 -4.361 1.00 0.00 H ATOM 154 HA ASP A 11 1.239 2.211 -3.256 1.00 0.00 H ATOM 155 HB2 ASP A 11 1.979 3.146 -5.407 1.00 0.00 H ATOM 156 HB3 ASP A 11 2.113 1.551 -6.123 1.00 0.00 H ATOM 157 N THR A 12 1.524 -0.993 -4.308 1.00 0.00 N ATOM 158 CA THR A 12 0.902 -2.348 -4.211 1.00 0.00 C ATOM 159 C THR A 12 0.647 -2.809 -2.740 1.00 0.00 C ATOM 160 O THR A 12 1.584 -3.113 -1.993 1.00 0.00 O ATOM 161 CB THR A 12 1.746 -3.402 -4.994 1.00 0.00 C ATOM 162 OG1 THR A 12 3.060 -3.513 -4.451 1.00 0.00 O ATOM 163 CG2 THR A 12 1.874 -3.139 -6.506 1.00 0.00 C ATOM 164 H THR A 12 2.394 -0.848 -4.831 1.00 0.00 H ATOM 165 HA THR A 12 -0.070 -2.285 -4.742 1.00 0.00 H ATOM 166 HB THR A 12 1.252 -4.387 -4.884 1.00 0.00 H ATOM 167 HG1 THR A 12 2.945 -3.617 -3.502 1.00 0.00 H ATOM 168 HG21 THR A 12 0.885 -3.064 -6.993 1.00 0.00 H ATOM 169 HG22 THR A 12 2.417 -2.198 -6.715 1.00 0.00 H ATOM 170 HG23 THR A 12 2.431 -3.951 -7.008 1.00 0.00 H ATOM 171 N THR A 13 -0.641 -2.824 -2.352 1.00 0.00 N ATOM 172 CA THR A 13 -1.095 -3.206 -0.992 1.00 0.00 C ATOM 173 C THR A 13 -2.432 -3.978 -1.168 1.00 0.00 C ATOM 174 O THR A 13 -3.444 -3.412 -1.599 1.00 0.00 O ATOM 175 CB THR A 13 -1.267 -1.985 -0.030 1.00 0.00 C ATOM 176 OG1 THR A 13 -2.132 -0.996 -0.586 1.00 0.00 O ATOM 177 CG2 THR A 13 0.046 -1.297 0.378 1.00 0.00 C ATOM 178 H THR A 13 -1.323 -2.614 -3.086 1.00 0.00 H ATOM 179 HA THR A 13 -0.344 -3.880 -0.527 1.00 0.00 H ATOM 180 HB THR A 13 -1.734 -2.350 0.905 1.00 0.00 H ATOM 181 HG1 THR A 13 -2.966 -1.440 -0.768 1.00 0.00 H ATOM 182 HG21 THR A 13 0.767 -2.013 0.814 1.00 0.00 H ATOM 183 HG22 THR A 13 0.541 -0.809 -0.482 1.00 0.00 H ATOM 184 HG23 THR A 13 -0.134 -0.513 1.136 1.00 0.00 H ATOM 185 N ALA A 14 -2.412 -5.279 -0.838 1.00 0.00 N ATOM 186 CA ALA A 14 -3.600 -6.161 -0.934 1.00 0.00 C ATOM 187 C ALA A 14 -4.308 -6.228 0.436 1.00 0.00 C ATOM 188 O ALA A 14 -3.955 -6.952 1.368 1.00 0.00 O ATOM 189 CB ALA A 14 -3.154 -7.545 -1.440 1.00 0.00 C ATOM 190 OXT ALA A 14 -5.365 -5.362 0.509 1.00 0.00 O ATOM 191 H ALA A 14 -1.473 -5.633 -0.631 1.00 0.00 H ATOM 192 HA ALA A 14 -4.317 -5.767 -1.681 1.00 0.00 H ATOM 193 HB1 ALA A 14 -2.421 -8.026 -0.764 1.00 0.00 H ATOM 194 HB2 ALA A 14 -4.012 -8.236 -1.530 1.00 0.00 H ATOM 195 HB3 ALA A 14 -2.689 -7.484 -2.442 1.00 0.00 H ATOM 196 HXT ALA A 14 -5.776 -5.385 1.377 1.00 0.00 H TER 197 ALA A 14