HETATM 1 C ACE A 1 1.199 7.036 -3.186 1.00 0.00 C HETATM 2 O ACE A 1 0.323 7.833 -3.526 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.186 6.413 -1.794 1.00 0.00 C HETATM 4 H1 ACE A 1 2.090 6.688 -1.218 1.00 0.00 H HETATM 5 H2 ACE A 1 0.310 6.754 -1.212 1.00 0.00 H HETATM 6 H3 ACE A 1 1.136 5.309 -1.842 1.00 0.00 H ATOM 7 N ILE A 2 2.216 6.658 -3.974 1.00 0.00 N ATOM 8 CA ILE A 2 2.396 7.148 -5.379 1.00 0.00 C ATOM 9 C ILE A 2 1.533 6.312 -6.379 1.00 0.00 C ATOM 10 O ILE A 2 0.711 6.885 -7.100 1.00 0.00 O ATOM 11 CB ILE A 2 3.921 7.332 -5.720 1.00 0.00 C ATOM 12 CG1 ILE A 2 4.214 8.287 -6.915 1.00 0.00 C ATOM 13 CG2 ILE A 2 4.781 6.044 -5.793 1.00 0.00 C ATOM 14 CD1 ILE A 2 3.905 7.790 -8.339 1.00 0.00 C ATOM 15 H ILE A 2 2.779 5.891 -3.592 1.00 0.00 H ATOM 16 HA ILE A 2 1.977 8.174 -5.418 1.00 0.00 H ATOM 17 HB ILE A 2 4.336 7.877 -4.852 1.00 0.00 H ATOM 18 HG12 ILE A 2 3.679 9.243 -6.755 1.00 0.00 H ATOM 19 HG13 ILE A 2 5.283 8.569 -6.884 1.00 0.00 H ATOM 20 HG21 ILE A 2 4.709 5.452 -4.863 1.00 0.00 H ATOM 21 HG22 ILE A 2 4.483 5.385 -6.628 1.00 0.00 H ATOM 22 HG23 ILE A 2 5.853 6.278 -5.932 1.00 0.00 H ATOM 23 HD11 ILE A 2 2.826 7.621 -8.499 1.00 0.00 H ATOM 24 HD12 ILE A 2 4.224 8.533 -9.093 1.00 0.00 H ATOM 25 HD13 ILE A 2 4.430 6.847 -8.573 1.00 0.00 H ATOM 26 N TRP A 3 1.711 4.977 -6.410 1.00 0.00 N ATOM 27 CA TRP A 3 0.936 4.056 -7.288 1.00 0.00 C ATOM 28 C TRP A 3 -0.594 3.980 -6.950 1.00 0.00 C ATOM 29 O TRP A 3 -1.415 4.054 -7.869 1.00 0.00 O ATOM 30 CB TRP A 3 1.652 2.672 -7.245 1.00 0.00 C ATOM 31 CG TRP A 3 1.053 1.572 -8.136 1.00 0.00 C ATOM 32 CD1 TRP A 3 0.932 1.623 -9.540 1.00 0.00 C ATOM 33 CD2 TRP A 3 0.483 0.366 -7.757 1.00 0.00 C ATOM 34 NE1 TRP A 3 0.295 0.477 -10.053 1.00 0.00 N ATOM 35 CE2 TRP A 3 0.024 -0.287 -8.930 1.00 0.00 C ATOM 36 CE3 TRP A 3 0.307 -0.239 -6.485 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -0.620 -1.545 -8.836 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -0.327 -1.480 -6.419 1.00 0.00 C ATOM 39 CH2 TRP A 3 -0.785 -2.122 -7.576 1.00 0.00 C ATOM 40 H TRP A 3 2.437 4.647 -5.764 1.00 0.00 H ATOM 41 HA TRP A 3 1.022 4.435 -8.326 1.00 0.00 H ATOM 42 HB2 TRP A 3 2.713 2.794 -7.536 1.00 0.00 H ATOM 43 HB3 TRP A 3 1.692 2.310 -6.200 1.00 0.00 H ATOM 44 HD1 TRP A 3 1.255 2.457 -10.145 1.00 0.00 H ATOM 45 HE1 TRP A 3 0.065 0.265 -11.030 1.00 0.00 H ATOM 46 HE3 TRP A 3 0.660 0.237 -5.584 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -0.978 -2.050 -9.722 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -0.465 -1.955 -5.458 1.00 0.00 H ATOM 49 HH2 TRP A 3 -1.274 -3.082 -7.491 1.00 0.00 H ATOM 50 N GLY A 4 -0.958 3.813 -5.667 1.00 0.00 N ATOM 51 CA GLY A 4 -2.371 3.732 -5.240 1.00 0.00 C ATOM 52 C GLY A 4 -2.439 3.191 -3.806 1.00 0.00 C ATOM 53 O GLY A 4 -2.284 3.956 -2.850 1.00 0.00 O ATOM 54 H GLY A 4 -0.179 3.880 -5.000 1.00 0.00 H ATOM 55 HA2 GLY A 4 -2.827 4.739 -5.273 1.00 0.00 H ATOM 56 HA3 GLY A 4 -2.965 3.107 -5.937 1.00 0.00 H ATOM 57 N ASP A 5 -2.681 1.875 -3.672 1.00 0.00 N ATOM 58 CA ASP A 5 -2.748 1.187 -2.353 1.00 0.00 C ATOM 59 C ASP A 5 -2.072 -0.230 -2.461 1.00 0.00 C ATOM 60 O ASP A 5 -2.015 -0.819 -3.548 1.00 0.00 O ATOM 61 CB ASP A 5 -4.222 1.133 -1.843 1.00 0.00 C ATOM 62 CG ASP A 5 -4.359 0.741 -0.358 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.619 -0.424 -0.045 1.00 0.00 O ATOM 64 H ASP A 5 -2.767 1.358 -4.555 1.00 0.00 H ATOM 65 HA ASP A 5 -2.166 1.821 -1.653 1.00 0.00 H ATOM 66 HB2 ASP A 5 -4.719 2.111 -1.998 1.00 0.00 H ATOM 67 HB3 ASP A 5 -4.807 0.422 -2.458 1.00 0.00 H ATOM 68 N SER A 6 -1.569 -0.803 -1.340 1.00 0.00 N ATOM 69 CA SER A 6 -0.907 -2.136 -1.344 1.00 0.00 C ATOM 70 C SER A 6 -1.916 -3.326 -1.381 1.00 0.00 C ATOM 71 O SER A 6 -1.918 -4.063 -2.372 1.00 0.00 O ATOM 72 CB SER A 6 0.088 -2.201 -0.162 1.00 0.00 C ATOM 73 OG SER A 6 0.877 -3.385 -0.221 1.00 0.00 O ATOM 74 H SER A 6 -1.816 -0.381 -0.438 1.00 0.00 H ATOM 75 HA SER A 6 -0.286 -2.208 -2.259 1.00 0.00 H ATOM 76 HB2 SER A 6 0.763 -1.323 -0.162 1.00 0.00 H ATOM 77 HB3 SER A 6 -0.447 -2.172 0.805 1.00 0.00 H ATOM 78 HG SER A 6 1.406 -3.318 -1.020 1.00 0.00 H ATOM 79 N GLY A 7 -2.751 -3.514 -0.336 1.00 0.00 N ATOM 80 CA GLY A 7 -3.737 -4.625 -0.280 1.00 0.00 C ATOM 81 C GLY A 7 -3.647 -5.557 0.951 1.00 0.00 C ATOM 82 O GLY A 7 -4.690 -5.948 1.481 1.00 0.00 O ATOM 83 H GLY A 7 -2.618 -2.872 0.452 1.00 0.00 H ATOM 84 HA2 GLY A 7 -4.747 -4.176 -0.305 1.00 0.00 H ATOM 85 HA3 GLY A 7 -3.700 -5.262 -1.185 1.00 0.00 H ATOM 86 N LYS A 8 -2.429 -5.931 1.389 1.00 0.00 N ATOM 87 CA LYS A 8 -2.221 -6.840 2.553 1.00 0.00 C ATOM 88 C LYS A 8 -2.530 -6.210 3.946 1.00 0.00 C ATOM 89 O LYS A 8 -3.318 -6.797 4.694 1.00 0.00 O ATOM 90 CB LYS A 8 -0.795 -7.465 2.512 1.00 0.00 C ATOM 91 CG LYS A 8 -0.435 -8.362 1.298 1.00 0.00 C ATOM 92 CD LYS A 8 -1.296 -9.626 1.074 1.00 0.00 C ATOM 93 CE LYS A 8 -1.201 -10.678 2.197 1.00 0.00 C ATOM 94 NZ LYS A 8 -2.014 -11.870 1.878 1.00 0.00 N ATOM 95 H LYS A 8 -1.647 -5.477 0.904 1.00 0.00 H ATOM 96 HA LYS A 8 -2.931 -7.684 2.444 1.00 0.00 H ATOM 97 HB2 LYS A 8 -0.043 -6.654 2.576 1.00 0.00 H ATOM 98 HB3 LYS A 8 -0.630 -8.055 3.433 1.00 0.00 H ATOM 99 HG2 LYS A 8 -0.471 -7.747 0.379 1.00 0.00 H ATOM 100 HG3 LYS A 8 0.627 -8.662 1.383 1.00 0.00 H ATOM 101 HD2 LYS A 8 -2.350 -9.329 0.913 1.00 0.00 H ATOM 102 HD3 LYS A 8 -0.981 -10.084 0.117 1.00 0.00 H ATOM 103 HE2 LYS A 8 -0.146 -10.978 2.354 1.00 0.00 H ATOM 104 HE3 LYS A 8 -1.543 -10.249 3.159 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -1.964 -12.582 2.615 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -3.006 -11.634 1.756 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -1.708 -12.319 1.006 1.00 0.00 H ATOM 108 N LEU A 9 -1.915 -5.062 4.307 1.00 0.00 N ATOM 109 CA LEU A 9 -2.151 -4.401 5.623 1.00 0.00 C ATOM 110 C LEU A 9 -2.126 -2.851 5.468 1.00 0.00 C ATOM 111 O LEU A 9 -3.196 -2.236 5.458 1.00 0.00 O ATOM 112 CB LEU A 9 -1.191 -4.993 6.706 1.00 0.00 C ATOM 113 CG LEU A 9 -1.386 -4.502 8.169 1.00 0.00 C ATOM 114 CD1 LEU A 9 -2.734 -4.939 8.777 1.00 0.00 C ATOM 115 CD2 LEU A 9 -0.230 -4.991 9.061 1.00 0.00 C ATOM 116 H LEU A 9 -1.314 -4.652 3.583 1.00 0.00 H ATOM 117 HA LEU A 9 -3.182 -4.641 5.949 1.00 0.00 H ATOM 118 HB2 LEU A 9 -1.270 -6.098 6.697 1.00 0.00 H ATOM 119 HB3 LEU A 9 -0.148 -4.790 6.394 1.00 0.00 H ATOM 120 HG LEU A 9 -1.354 -3.396 8.177 1.00 0.00 H ATOM 121 HD11 LEU A 9 -2.850 -6.039 8.783 1.00 0.00 H ATOM 122 HD12 LEU A 9 -2.844 -4.592 9.821 1.00 0.00 H ATOM 123 HD13 LEU A 9 -3.592 -4.522 8.219 1.00 0.00 H ATOM 124 HD21 LEU A 9 -0.184 -6.096 9.118 1.00 0.00 H ATOM 125 HD22 LEU A 9 0.751 -4.642 8.686 1.00 0.00 H ATOM 126 HD23 LEU A 9 -0.324 -4.614 10.097 1.00 0.00 H ATOM 127 N ILE A 10 -0.936 -2.223 5.346 1.00 0.00 N ATOM 128 CA ILE A 10 -0.802 -0.743 5.213 1.00 0.00 C ATOM 129 C ILE A 10 -0.937 -0.319 3.722 1.00 0.00 C ATOM 130 O ILE A 10 -0.143 -0.719 2.865 1.00 0.00 O ATOM 131 CB ILE A 10 0.506 -0.248 5.945 1.00 0.00 C ATOM 132 CG1 ILE A 10 0.271 -0.051 7.472 1.00 0.00 C ATOM 133 CG2 ILE A 10 1.228 0.994 5.355 1.00 0.00 C ATOM 134 CD1 ILE A 10 -0.594 1.152 7.904 1.00 0.00 C ATOM 135 H ILE A 10 -0.119 -2.844 5.359 1.00 0.00 H ATOM 136 HA ILE A 10 -1.649 -0.288 5.764 1.00 0.00 H ATOM 137 HB ILE A 10 1.265 -1.052 5.854 1.00 0.00 H ATOM 138 HG12 ILE A 10 -0.185 -0.971 7.885 1.00 0.00 H ATOM 139 HG13 ILE A 10 1.250 0.032 7.975 1.00 0.00 H ATOM 140 HG21 ILE A 10 1.599 0.804 4.331 1.00 0.00 H ATOM 141 HG22 ILE A 10 0.557 1.869 5.295 1.00 0.00 H ATOM 142 HG23 ILE A 10 2.108 1.291 5.954 1.00 0.00 H ATOM 143 HD11 ILE A 10 -0.696 1.194 9.003 1.00 0.00 H ATOM 144 HD12 ILE A 10 -0.151 2.114 7.586 1.00 0.00 H ATOM 145 HD13 ILE A 10 -1.617 1.110 7.488 1.00 0.00 H HETATM 146 N SET A 11 -1.939 0.536 3.462 1.00 0.00 N HETATM 147 CA SET A 11 -2.212 1.076 2.103 1.00 0.00 C HETATM 148 CB SET A 11 -1.278 2.261 1.683 1.00 0.00 C HETATM 149 OG SET A 11 -0.884 2.292 0.514 1.00 0.00 O HETATM 150 NT SET A 11 -4.099 1.709 0.533 1.00 0.00 N HETATM 151 C SET A 11 -3.728 1.398 1.947 1.00 0.00 C HETATM 152 H SET A 11 -2.512 0.751 4.287 1.00 0.00 H HETATM 153 HA SET A 11 -2.007 0.255 1.386 1.00 0.00 H HETATM 154 HB2 SET A 11 -4.335 0.549 2.334 1.00 0.00 H HETATM 155 HB3 SET A 11 -4.006 2.240 2.610 1.00 0.00 H HETATM 156 HNT2 SET A 11 -3.900 2.615 0.080 1.00 0.00 H ATOM 157 N THR A 12 -0.913 3.210 2.581 1.00 0.00 N ATOM 158 CA THR A 12 -0.021 4.365 2.229 1.00 0.00 C ATOM 159 C THR A 12 1.412 4.079 1.650 1.00 0.00 C ATOM 160 O THR A 12 2.012 4.988 1.069 1.00 0.00 O ATOM 161 CB THR A 12 -0.034 5.416 3.381 1.00 0.00 C ATOM 162 OG1 THR A 12 0.507 6.647 2.915 1.00 0.00 O ATOM 163 CG2 THR A 12 0.721 5.026 4.665 1.00 0.00 C ATOM 164 H THR A 12 -1.361 3.139 3.504 1.00 0.00 H ATOM 165 HA THR A 12 -0.529 4.853 1.381 1.00 0.00 H ATOM 166 HB THR A 12 -1.086 5.620 3.663 1.00 0.00 H ATOM 167 HG1 THR A 12 1.397 6.449 2.611 1.00 0.00 H ATOM 168 HG21 THR A 12 0.277 4.134 5.142 1.00 0.00 H ATOM 169 HG22 THR A 12 1.787 4.804 4.471 1.00 0.00 H ATOM 170 HG23 THR A 12 0.687 5.840 5.413 1.00 0.00 H ATOM 171 N THR A 13 1.951 2.856 1.803 1.00 0.00 N ATOM 172 CA THR A 13 3.277 2.460 1.253 1.00 0.00 C ATOM 173 C THR A 13 2.950 1.648 -0.039 1.00 0.00 C ATOM 174 O THR A 13 2.790 0.423 0.002 1.00 0.00 O ATOM 175 CB THR A 13 4.095 1.684 2.329 1.00 0.00 C ATOM 176 OG1 THR A 13 4.265 2.489 3.493 1.00 0.00 O ATOM 177 CG2 THR A 13 5.504 1.273 1.867 1.00 0.00 C ATOM 178 H THR A 13 1.278 2.168 2.150 1.00 0.00 H ATOM 179 HA THR A 13 3.874 3.357 0.985 1.00 0.00 H ATOM 180 HB THR A 13 3.545 0.767 2.620 1.00 0.00 H ATOM 181 HG1 THR A 13 4.819 1.980 4.089 1.00 0.00 H ATOM 182 HG21 THR A 13 6.115 2.151 1.584 1.00 0.00 H ATOM 183 HG22 THR A 13 6.050 0.737 2.665 1.00 0.00 H ATOM 184 HG23 THR A 13 5.469 0.598 0.993 1.00 0.00 H ATOM 185 N ALA A 14 2.832 2.359 -1.179 1.00 0.00 N ATOM 186 CA ALA A 14 2.491 1.746 -2.486 1.00 0.00 C ATOM 187 C ALA A 14 3.279 2.438 -3.613 1.00 0.00 C ATOM 188 O ALA A 14 3.153 3.626 -3.913 1.00 0.00 O ATOM 189 CB ALA A 14 0.972 1.876 -2.708 1.00 0.00 C ATOM 190 OXT ALA A 14 4.129 1.578 -4.258 1.00 0.00 O ATOM 191 H ALA A 14 2.933 3.373 -1.062 1.00 0.00 H ATOM 192 HA ALA A 14 2.746 0.667 -2.491 1.00 0.00 H ATOM 193 HB1 ALA A 14 0.633 2.929 -2.730 1.00 0.00 H ATOM 194 HB2 ALA A 14 0.652 1.413 -3.658 1.00 0.00 H ATOM 195 HB3 ALA A 14 0.403 1.372 -1.904 1.00 0.00 H ATOM 196 HXT ALA A 14 4.615 2.023 -4.955 1.00 0.00 H TER 197 ALA A 14