HETATM 1 C ACE A 1 -0.398 -2.186 -3.614 1.00 0.00 C HETATM 2 O ACE A 1 0.758 -2.022 -4.007 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.688 -2.340 -2.127 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.608 -1.809 -1.816 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.794 -3.405 -1.850 1.00 0.00 H HETATM 6 H3 ACE A 1 0.141 -1.923 -1.527 1.00 0.00 H ATOM 7 N ILE A 2 -1.461 -2.255 -4.422 1.00 0.00 N ATOM 8 CA ILE A 2 -1.374 -2.118 -5.910 1.00 0.00 C ATOM 9 C ILE A 2 -2.576 -1.291 -6.470 1.00 0.00 C ATOM 10 O ILE A 2 -2.344 -0.262 -7.111 1.00 0.00 O ATOM 11 CB ILE A 2 -1.106 -3.456 -6.702 1.00 0.00 C ATOM 12 CG1 ILE A 2 -2.059 -4.644 -6.362 1.00 0.00 C ATOM 13 CG2 ILE A 2 0.377 -3.892 -6.600 1.00 0.00 C ATOM 14 CD1 ILE A 2 -2.072 -5.795 -7.382 1.00 0.00 C ATOM 15 H ILE A 2 -2.354 -2.394 -3.937 1.00 0.00 H ATOM 16 HA ILE A 2 -0.505 -1.462 -6.127 1.00 0.00 H ATOM 17 HB ILE A 2 -1.263 -3.216 -7.772 1.00 0.00 H ATOM 18 HG12 ILE A 2 -1.821 -5.046 -5.358 1.00 0.00 H ATOM 19 HG13 ILE A 2 -3.098 -4.282 -6.278 1.00 0.00 H ATOM 20 HG21 ILE A 2 1.067 -3.066 -6.853 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.641 -4.236 -5.582 1.00 0.00 H ATOM 22 HG23 ILE A 2 0.617 -4.719 -7.294 1.00 0.00 H ATOM 23 HD11 ILE A 2 -1.095 -6.307 -7.445 1.00 0.00 H ATOM 24 HD12 ILE A 2 -2.822 -6.560 -7.109 1.00 0.00 H ATOM 25 HD13 ILE A 2 -2.329 -5.436 -8.397 1.00 0.00 H ATOM 26 N TRP A 3 -3.836 -1.719 -6.241 1.00 0.00 N ATOM 27 CA TRP A 3 -5.049 -1.010 -6.744 1.00 0.00 C ATOM 28 C TRP A 3 -5.579 0.045 -5.727 1.00 0.00 C ATOM 29 O TRP A 3 -5.560 1.238 -6.045 1.00 0.00 O ATOM 30 CB TRP A 3 -6.139 -2.022 -7.210 1.00 0.00 C ATOM 31 CG TRP A 3 -5.747 -2.931 -8.385 1.00 0.00 C ATOM 32 CD1 TRP A 3 -5.506 -4.320 -8.316 1.00 0.00 C ATOM 33 CD2 TRP A 3 -5.530 -2.583 -9.706 1.00 0.00 C ATOM 34 NE1 TRP A 3 -5.139 -4.850 -9.568 1.00 0.00 N ATOM 35 CE2 TRP A 3 -5.158 -3.753 -10.415 1.00 0.00 C ATOM 36 CE3 TRP A 3 -5.607 -1.333 -10.371 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -4.858 -3.680 -11.796 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -5.308 -1.285 -11.733 1.00 0.00 C ATOM 39 CH2 TRP A 3 -4.940 -2.440 -12.436 1.00 0.00 C ATOM 40 H TRP A 3 -3.895 -2.612 -5.740 1.00 0.00 H ATOM 41 HA TRP A 3 -4.772 -0.436 -7.651 1.00 0.00 H ATOM 42 HB2 TRP A 3 -6.474 -2.644 -6.358 1.00 0.00 H ATOM 43 HB3 TRP A 3 -7.045 -1.463 -7.515 1.00 0.00 H ATOM 44 HD1 TRP A 3 -5.576 -4.908 -7.413 1.00 0.00 H ATOM 45 HE1 TRP A 3 -4.903 -5.821 -9.801 1.00 0.00 H ATOM 46 HE3 TRP A 3 -5.885 -0.438 -9.831 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -4.571 -4.563 -12.348 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -5.360 -0.340 -12.255 1.00 0.00 H ATOM 49 HH2 TRP A 3 -4.713 -2.371 -13.490 1.00 0.00 H ATOM 50 N GLY A 4 -6.046 -0.373 -4.530 1.00 0.00 N ATOM 51 CA GLY A 4 -6.566 0.559 -3.500 1.00 0.00 C ATOM 52 C GLY A 4 -5.458 1.040 -2.545 1.00 0.00 C ATOM 53 O GLY A 4 -4.660 1.904 -2.921 1.00 0.00 O ATOM 54 H GLY A 4 -5.987 -1.384 -4.373 1.00 0.00 H ATOM 55 HA2 GLY A 4 -7.050 1.439 -3.965 1.00 0.00 H ATOM 56 HA3 GLY A 4 -7.381 0.055 -2.947 1.00 0.00 H ATOM 57 N ASP A 5 -5.427 0.499 -1.312 1.00 0.00 N ATOM 58 CA ASP A 5 -4.402 0.871 -0.295 1.00 0.00 C ATOM 59 C ASP A 5 -4.141 -0.311 0.713 1.00 0.00 C ATOM 60 O ASP A 5 -5.000 -1.181 0.897 1.00 0.00 O ATOM 61 CB ASP A 5 -4.831 2.188 0.435 1.00 0.00 C ATOM 62 CG ASP A 5 -3.689 2.884 1.198 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.581 2.759 2.421 1.00 0.00 O ATOM 64 H ASP A 5 -6.142 -0.213 -1.127 1.00 0.00 H ATOM 65 HA ASP A 5 -3.479 1.070 -0.882 1.00 0.00 H ATOM 66 HB2 ASP A 5 -5.259 2.914 -0.284 1.00 0.00 H ATOM 67 HB3 ASP A 5 -5.660 1.978 1.137 1.00 0.00 H ATOM 68 N SER A 6 -2.969 -0.335 1.396 1.00 0.00 N ATOM 69 CA SER A 6 -2.618 -1.397 2.382 1.00 0.00 C ATOM 70 C SER A 6 -3.186 -1.115 3.811 1.00 0.00 C ATOM 71 O SER A 6 -3.982 -1.921 4.302 1.00 0.00 O ATOM 72 CB SER A 6 -1.085 -1.621 2.392 1.00 0.00 C ATOM 73 OG SER A 6 -0.603 -2.023 1.114 1.00 0.00 O ATOM 74 H SER A 6 -2.325 0.453 1.273 1.00 0.00 H ATOM 75 HA SER A 6 -3.057 -2.357 2.044 1.00 0.00 H ATOM 76 HB2 SER A 6 -0.544 -0.711 2.714 1.00 0.00 H ATOM 77 HB3 SER A 6 -0.818 -2.405 3.126 1.00 0.00 H ATOM 78 HG SER A 6 -0.743 -1.274 0.527 1.00 0.00 H ATOM 79 N GLY A 7 -2.787 -0.006 4.472 1.00 0.00 N ATOM 80 CA GLY A 7 -3.259 0.353 5.833 1.00 0.00 C ATOM 81 C GLY A 7 -2.223 0.091 6.949 1.00 0.00 C ATOM 82 O GLY A 7 -2.496 -0.683 7.869 1.00 0.00 O ATOM 83 H GLY A 7 -2.106 0.581 3.982 1.00 0.00 H ATOM 84 HA2 GLY A 7 -3.525 1.426 5.839 1.00 0.00 H ATOM 85 HA3 GLY A 7 -4.206 -0.163 6.084 1.00 0.00 H ATOM 86 N LYS A 8 -1.050 0.749 6.865 1.00 0.00 N ATOM 87 CA LYS A 8 0.052 0.611 7.859 1.00 0.00 C ATOM 88 C LYS A 8 1.011 1.833 7.706 1.00 0.00 C ATOM 89 O LYS A 8 1.049 2.687 8.596 1.00 0.00 O ATOM 90 CB LYS A 8 0.752 -0.785 7.780 1.00 0.00 C ATOM 91 CG LYS A 8 1.852 -1.078 8.828 1.00 0.00 C ATOM 92 CD LYS A 8 1.346 -1.175 10.283 1.00 0.00 C ATOM 93 CE LYS A 8 2.468 -1.531 11.275 1.00 0.00 C ATOM 94 NZ LYS A 8 1.948 -1.608 12.656 1.00 0.00 N ATOM 95 H LYS A 8 -0.972 1.372 6.054 1.00 0.00 H ATOM 96 HA LYS A 8 -0.404 0.695 8.865 1.00 0.00 H ATOM 97 HB2 LYS A 8 -0.009 -1.587 7.850 1.00 0.00 H ATOM 98 HB3 LYS A 8 1.189 -0.915 6.771 1.00 0.00 H ATOM 99 HG2 LYS A 8 2.343 -2.031 8.552 1.00 0.00 H ATOM 100 HG3 LYS A 8 2.649 -0.313 8.753 1.00 0.00 H ATOM 101 HD2 LYS A 8 0.883 -0.213 10.576 1.00 0.00 H ATOM 102 HD3 LYS A 8 0.537 -1.929 10.338 1.00 0.00 H ATOM 103 HE2 LYS A 8 2.933 -2.497 11.000 1.00 0.00 H ATOM 104 HE3 LYS A 8 3.278 -0.777 11.227 1.00 0.00 H ATOM 105 HZ1 LYS A 8 1.536 -0.718 12.960 1.00 0.00 H ATOM 106 HZ2 LYS A 8 1.213 -2.320 12.748 1.00 0.00 H ATOM 107 HZ3 LYS A 8 2.681 -1.846 13.334 1.00 0.00 H ATOM 108 N LEU A 9 1.787 1.900 6.603 1.00 0.00 N ATOM 109 CA LEU A 9 2.737 3.011 6.321 1.00 0.00 C ATOM 110 C LEU A 9 2.620 3.357 4.806 1.00 0.00 C ATOM 111 O LEU A 9 2.022 4.383 4.470 1.00 0.00 O ATOM 112 CB LEU A 9 4.162 2.653 6.847 1.00 0.00 C ATOM 113 CG LEU A 9 5.259 3.744 6.699 1.00 0.00 C ATOM 114 CD1 LEU A 9 4.988 4.995 7.559 1.00 0.00 C ATOM 115 CD2 LEU A 9 6.645 3.165 7.046 1.00 0.00 C ATOM 116 H LEU A 9 1.653 1.127 5.943 1.00 0.00 H ATOM 117 HA LEU A 9 2.403 3.915 6.869 1.00 0.00 H ATOM 118 HB2 LEU A 9 4.092 2.369 7.916 1.00 0.00 H ATOM 119 HB3 LEU A 9 4.501 1.729 6.339 1.00 0.00 H ATOM 120 HG LEU A 9 5.298 4.062 5.640 1.00 0.00 H ATOM 121 HD11 LEU A 9 4.915 4.752 8.636 1.00 0.00 H ATOM 122 HD12 LEU A 9 5.789 5.750 7.447 1.00 0.00 H ATOM 123 HD13 LEU A 9 4.046 5.496 7.270 1.00 0.00 H ATOM 124 HD21 LEU A 9 7.448 3.912 6.901 1.00 0.00 H ATOM 125 HD22 LEU A 9 6.703 2.822 8.096 1.00 0.00 H ATOM 126 HD23 LEU A 9 6.899 2.301 6.404 1.00 0.00 H ATOM 127 N ILE A 10 3.167 2.514 3.901 1.00 0.00 N ATOM 128 CA ILE A 10 3.094 2.728 2.426 1.00 0.00 C ATOM 129 C ILE A 10 1.748 2.127 1.908 1.00 0.00 C ATOM 130 O ILE A 10 1.517 0.915 1.989 1.00 0.00 O ATOM 131 CB ILE A 10 4.393 2.215 1.704 1.00 0.00 C ATOM 132 CG1 ILE A 10 4.443 2.536 0.182 1.00 0.00 C ATOM 133 CG2 ILE A 10 4.703 0.707 1.903 1.00 0.00 C ATOM 134 CD1 ILE A 10 4.440 4.024 -0.203 1.00 0.00 C ATOM 135 H ILE A 10 3.638 1.697 4.304 1.00 0.00 H ATOM 136 HA ILE A 10 3.088 3.824 2.255 1.00 0.00 H ATOM 137 HB ILE A 10 5.245 2.757 2.161 1.00 0.00 H ATOM 138 HG12 ILE A 10 5.356 2.091 -0.257 1.00 0.00 H ATOM 139 HG13 ILE A 10 3.605 2.031 -0.335 1.00 0.00 H ATOM 140 HG21 ILE A 10 5.672 0.423 1.451 1.00 0.00 H ATOM 141 HG22 ILE A 10 4.767 0.433 2.972 1.00 0.00 H ATOM 142 HG23 ILE A 10 3.933 0.060 1.446 1.00 0.00 H ATOM 143 HD11 ILE A 10 4.553 4.148 -1.297 1.00 0.00 H ATOM 144 HD12 ILE A 10 3.496 4.526 0.078 1.00 0.00 H ATOM 145 HD13 ILE A 10 5.271 4.574 0.275 1.00 0.00 H HETATM 146 N SET A 11 0.870 2.994 1.369 1.00 0.00 N HETATM 147 CA SET A 11 -0.466 2.585 0.864 1.00 0.00 C HETATM 148 CB SET A 11 -0.444 1.783 -0.479 1.00 0.00 C HETATM 149 OG SET A 11 -0.576 0.556 -0.435 1.00 0.00 O HETATM 150 NT SET A 11 -2.801 3.534 0.436 1.00 0.00 N HETATM 151 C SET A 11 -1.417 3.826 0.916 1.00 0.00 C HETATM 152 H SET A 11 1.139 3.980 1.445 1.00 0.00 H HETATM 153 HA SET A 11 -0.888 1.886 1.614 1.00 0.00 H HETATM 154 HB2 SET A 11 -1.438 4.234 1.952 1.00 0.00 H HETATM 155 HB3 SET A 11 -0.986 4.657 0.323 1.00 0.00 H HETATM 156 HNT2 SET A 11 -3.073 3.522 -0.562 1.00 0.00 H ATOM 157 N THR A 12 -0.286 2.445 -1.643 1.00 0.00 N ATOM 158 CA THR A 12 -0.317 1.762 -2.976 1.00 0.00 C ATOM 159 C THR A 12 1.027 1.188 -3.550 1.00 0.00 C ATOM 160 O THR A 12 1.154 1.059 -4.773 1.00 0.00 O ATOM 161 CB THR A 12 -1.126 2.673 -3.956 1.00 0.00 C ATOM 162 OG1 THR A 12 -1.500 1.924 -5.108 1.00 0.00 O ATOM 163 CG2 THR A 12 -0.421 3.958 -4.434 1.00 0.00 C ATOM 164 H THR A 12 -0.130 3.455 -1.550 1.00 0.00 H ATOM 165 HA THR A 12 -0.956 0.862 -2.873 1.00 0.00 H ATOM 166 HB THR A 12 -2.071 2.977 -3.464 1.00 0.00 H ATOM 167 HG1 THR A 12 -0.678 1.640 -5.518 1.00 0.00 H ATOM 168 HG21 THR A 12 -1.073 4.544 -5.107 1.00 0.00 H ATOM 169 HG22 THR A 12 -0.151 4.617 -3.589 1.00 0.00 H ATOM 170 HG23 THR A 12 0.508 3.738 -4.993 1.00 0.00 H ATOM 171 N THR A 13 2.010 0.812 -2.707 1.00 0.00 N ATOM 172 CA THR A 13 3.303 0.223 -3.168 1.00 0.00 C ATOM 173 C THR A 13 3.748 -0.793 -2.071 1.00 0.00 C ATOM 174 O THR A 13 4.548 -0.468 -1.189 1.00 0.00 O ATOM 175 CB THR A 13 4.362 1.318 -3.518 1.00 0.00 C ATOM 176 OG1 THR A 13 3.861 2.185 -4.530 1.00 0.00 O ATOM 177 CG2 THR A 13 5.699 0.767 -4.045 1.00 0.00 C ATOM 178 H THR A 13 1.785 0.914 -1.711 1.00 0.00 H ATOM 179 HA THR A 13 3.128 -0.353 -4.101 1.00 0.00 H ATOM 180 HB THR A 13 4.570 1.926 -2.620 1.00 0.00 H ATOM 181 HG1 THR A 13 2.930 2.313 -4.332 1.00 0.00 H ATOM 182 HG21 THR A 13 6.209 0.133 -3.297 1.00 0.00 H ATOM 183 HG22 THR A 13 5.561 0.158 -4.958 1.00 0.00 H ATOM 184 HG23 THR A 13 6.397 1.586 -4.300 1.00 0.00 H ATOM 185 N ALA A 14 3.212 -2.028 -2.136 1.00 0.00 N ATOM 186 CA ALA A 14 3.530 -3.107 -1.171 1.00 0.00 C ATOM 187 C ALA A 14 3.272 -4.464 -1.858 1.00 0.00 C ATOM 188 O ALA A 14 2.162 -4.851 -2.229 1.00 0.00 O ATOM 189 CB ALA A 14 2.700 -2.972 0.123 1.00 0.00 C ATOM 190 OXT ALA A 14 4.421 -5.194 -2.013 1.00 0.00 O ATOM 191 H ALA A 14 2.522 -2.157 -2.887 1.00 0.00 H ATOM 192 HA ALA A 14 4.602 -3.051 -0.895 1.00 0.00 H ATOM 193 HB1 ALA A 14 2.867 -1.997 0.618 1.00 0.00 H ATOM 194 HB2 ALA A 14 1.614 -3.062 -0.063 1.00 0.00 H ATOM 195 HB3 ALA A 14 2.969 -3.752 0.860 1.00 0.00 H ATOM 196 HXT ALA A 14 4.244 -6.033 -2.444 1.00 0.00 H TER 197 ALA A 14