HETATM 1 C ACE A 1 3.270 0.824 8.402 1.00 0.00 C HETATM 2 O ACE A 1 3.677 -0.080 7.669 1.00 0.00 O HETATM 3 CH3 ACE A 1 4.189 1.979 8.784 1.00 0.00 C HETATM 4 H1 ACE A 1 3.782 2.948 8.441 1.00 0.00 H HETATM 5 H2 ACE A 1 4.338 2.036 9.878 1.00 0.00 H HETATM 6 H3 ACE A 1 5.186 1.862 8.320 1.00 0.00 H ATOM 7 N ILE A 2 2.030 0.874 8.913 1.00 0.00 N ATOM 8 CA ILE A 2 0.992 -0.163 8.641 1.00 0.00 C ATOM 9 C ILE A 2 0.291 0.136 7.282 1.00 0.00 C ATOM 10 O ILE A 2 -0.180 1.249 7.029 1.00 0.00 O ATOM 11 CB ILE A 2 0.013 -0.415 9.848 1.00 0.00 C ATOM 12 CG1 ILE A 2 -0.641 0.809 10.565 1.00 0.00 C ATOM 13 CG2 ILE A 2 0.702 -1.292 10.925 1.00 0.00 C ATOM 14 CD1 ILE A 2 -1.682 1.609 9.769 1.00 0.00 C ATOM 15 H ILE A 2 1.823 1.708 9.467 1.00 0.00 H ATOM 16 HA ILE A 2 1.533 -1.121 8.498 1.00 0.00 H ATOM 17 HB ILE A 2 -0.817 -1.038 9.465 1.00 0.00 H ATOM 18 HG12 ILE A 2 -1.162 0.455 11.476 1.00 0.00 H ATOM 19 HG13 ILE A 2 0.138 1.498 10.941 1.00 0.00 H ATOM 20 HG21 ILE A 2 1.555 -0.772 11.401 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.004 -1.584 11.732 1.00 0.00 H ATOM 22 HG23 ILE A 2 1.093 -2.236 10.500 1.00 0.00 H ATOM 23 HD11 ILE A 2 -2.249 2.290 10.431 1.00 0.00 H ATOM 24 HD12 ILE A 2 -1.214 2.245 8.998 1.00 0.00 H ATOM 25 HD13 ILE A 2 -2.419 0.952 9.270 1.00 0.00 H ATOM 26 N TRP A 3 0.258 -0.879 6.400 1.00 0.00 N ATOM 27 CA TRP A 3 -0.332 -0.759 5.042 1.00 0.00 C ATOM 28 C TRP A 3 -1.117 -2.060 4.723 1.00 0.00 C ATOM 29 O TRP A 3 -0.539 -3.153 4.671 1.00 0.00 O ATOM 30 CB TRP A 3 0.762 -0.524 3.956 1.00 0.00 C ATOM 31 CG TRP A 3 1.691 0.687 4.153 1.00 0.00 C ATOM 32 CD1 TRP A 3 1.286 2.028 4.306 1.00 0.00 C ATOM 33 CD2 TRP A 3 3.065 0.697 4.323 1.00 0.00 C ATOM 34 NE1 TRP A 3 2.373 2.882 4.560 1.00 0.00 N ATOM 35 CE2 TRP A 3 3.467 2.035 4.565 1.00 0.00 C ATOM 36 CE3 TRP A 3 4.024 -0.350 4.310 1.00 0.00 C ATOM 37 CZ2 TRP A 3 4.830 2.336 4.793 1.00 0.00 C ATOM 38 CZ3 TRP A 3 5.363 -0.027 4.533 1.00 0.00 C ATOM 39 CH2 TRP A 3 5.760 1.295 4.772 1.00 0.00 C ATOM 40 H TRP A 3 0.627 -1.764 6.753 1.00 0.00 H ATOM 41 HA TRP A 3 -1.010 0.118 5.003 1.00 0.00 H ATOM 42 HB2 TRP A 3 1.375 -1.439 3.852 1.00 0.00 H ATOM 43 HB3 TRP A 3 0.270 -0.413 2.973 1.00 0.00 H ATOM 44 HD1 TRP A 3 0.254 2.344 4.328 1.00 0.00 H ATOM 45 HE1 TRP A 3 2.354 3.891 4.746 1.00 0.00 H ATOM 46 HE3 TRP A 3 3.733 -1.375 4.134 1.00 0.00 H ATOM 47 HZ2 TRP A 3 5.148 3.351 4.986 1.00 0.00 H ATOM 48 HZ3 TRP A 3 6.106 -0.811 4.527 1.00 0.00 H ATOM 49 HH2 TRP A 3 6.804 1.513 4.946 1.00 0.00 H ATOM 50 N GLY A 4 -2.433 -1.928 4.487 1.00 0.00 N ATOM 51 CA GLY A 4 -3.311 -3.074 4.149 1.00 0.00 C ATOM 52 C GLY A 4 -3.190 -3.461 2.654 1.00 0.00 C ATOM 53 O GLY A 4 -3.949 -2.924 1.842 1.00 0.00 O ATOM 54 H GLY A 4 -2.800 -0.989 4.667 1.00 0.00 H ATOM 55 HA2 GLY A 4 -3.142 -3.931 4.829 1.00 0.00 H ATOM 56 HA3 GLY A 4 -4.358 -2.769 4.361 1.00 0.00 H ATOM 57 N GLU A 5 -2.260 -4.376 2.287 1.00 0.00 N ATOM 58 CA GLU A 5 -2.057 -4.778 0.869 1.00 0.00 C ATOM 59 C GLU A 5 -3.126 -5.777 0.348 1.00 0.00 C ATOM 60 O GLU A 5 -3.159 -6.947 0.743 1.00 0.00 O ATOM 61 CB GLU A 5 -0.610 -5.331 0.643 1.00 0.00 C ATOM 62 CG GLU A 5 0.275 -4.456 -0.272 1.00 0.00 C ATOM 63 CD GLU A 5 0.814 -3.164 0.381 1.00 0.00 C ATOM 64 OE1 GLU A 5 0.088 -2.470 1.099 1.00 0.00 O ATOM 65 H GLU A 5 -1.585 -4.672 3.004 1.00 0.00 H ATOM 66 HA GLU A 5 -2.133 -3.846 0.268 1.00 0.00 H ATOM 67 HB2 GLU A 5 -0.078 -5.525 1.596 1.00 0.00 H ATOM 68 HB3 GLU A 5 -0.643 -6.335 0.174 1.00 0.00 H ATOM 69 HG2 GLU A 5 1.103 -5.090 -0.641 1.00 0.00 H ATOM 70 HG3 GLU A 5 -0.296 -4.192 -1.185 1.00 0.00 H ATOM 71 N SER A 6 -3.992 -5.278 -0.548 1.00 0.00 N ATOM 72 CA SER A 6 -5.058 -6.080 -1.191 1.00 0.00 C ATOM 73 C SER A 6 -5.460 -5.298 -2.471 1.00 0.00 C ATOM 74 O SER A 6 -6.277 -4.372 -2.411 1.00 0.00 O ATOM 75 CB SER A 6 -6.248 -6.344 -0.235 1.00 0.00 C ATOM 76 OG SER A 6 -7.239 -7.148 -0.868 1.00 0.00 O ATOM 77 H SER A 6 -3.874 -4.279 -0.747 1.00 0.00 H ATOM 78 HA SER A 6 -4.618 -7.057 -1.477 1.00 0.00 H ATOM 79 HB2 SER A 6 -5.904 -6.864 0.679 1.00 0.00 H ATOM 80 HB3 SER A 6 -6.705 -5.397 0.110 1.00 0.00 H ATOM 81 HG SER A 6 -7.591 -6.622 -1.591 1.00 0.00 H ATOM 82 N GLY A 7 -4.865 -5.664 -3.622 1.00 0.00 N ATOM 83 CA GLY A 7 -5.142 -4.982 -4.912 1.00 0.00 C ATOM 84 C GLY A 7 -4.062 -3.965 -5.343 1.00 0.00 C ATOM 85 O GLY A 7 -3.512 -4.091 -6.440 1.00 0.00 O ATOM 86 H GLY A 7 -4.143 -6.388 -3.526 1.00 0.00 H ATOM 87 HA2 GLY A 7 -5.228 -5.759 -5.695 1.00 0.00 H ATOM 88 HA3 GLY A 7 -6.132 -4.484 -4.915 1.00 0.00 H ATOM 89 N LYS A 8 -3.771 -2.958 -4.491 1.00 0.00 N ATOM 90 CA LYS A 8 -2.756 -1.908 -4.778 1.00 0.00 C ATOM 91 C LYS A 8 -1.293 -2.450 -4.835 1.00 0.00 C ATOM 92 O LYS A 8 -0.782 -3.022 -3.866 1.00 0.00 O ATOM 93 CB LYS A 8 -2.917 -0.706 -3.805 1.00 0.00 C ATOM 94 CG LYS A 8 -2.731 -0.943 -2.282 1.00 0.00 C ATOM 95 CD LYS A 8 -3.010 0.334 -1.456 1.00 0.00 C ATOM 96 CE LYS A 8 -3.030 0.148 0.073 1.00 0.00 C ATOM 97 NZ LYS A 8 -1.682 -0.034 0.649 1.00 0.00 N ATOM 98 H LYS A 8 -4.309 -2.973 -3.618 1.00 0.00 H ATOM 99 HA LYS A 8 -3.019 -1.494 -5.774 1.00 0.00 H ATOM 100 HB2 LYS A 8 -2.219 0.092 -4.123 1.00 0.00 H ATOM 101 HB3 LYS A 8 -3.921 -0.267 -3.972 1.00 0.00 H ATOM 102 HG2 LYS A 8 -3.407 -1.753 -1.949 1.00 0.00 H ATOM 103 HG3 LYS A 8 -1.705 -1.304 -2.078 1.00 0.00 H ATOM 104 HD2 LYS A 8 -2.291 1.129 -1.732 1.00 0.00 H ATOM 105 HD3 LYS A 8 -3.998 0.734 -1.753 1.00 0.00 H ATOM 106 HE2 LYS A 8 -3.496 1.038 0.538 1.00 0.00 H ATOM 107 HE3 LYS A 8 -3.681 -0.703 0.354 1.00 0.00 H ATOM 108 HZ1 LYS A 8 -1.228 -0.890 0.308 1.00 0.00 H ATOM 109 HZ2 LYS A 8 -1.059 0.749 0.418 1.00 0.00 H ATOM 110 HZ3 LYS A 8 -1.707 -0.105 1.673 1.00 0.00 H ATOM 111 N LEU A 9 -0.635 -2.245 -5.991 1.00 0.00 N ATOM 112 CA LEU A 9 0.770 -2.691 -6.239 1.00 0.00 C ATOM 113 C LEU A 9 1.943 -1.919 -5.544 1.00 0.00 C ATOM 114 O LEU A 9 3.098 -2.331 -5.693 1.00 0.00 O ATOM 115 CB LEU A 9 0.983 -2.904 -7.771 1.00 0.00 C ATOM 116 CG LEU A 9 1.005 -1.728 -8.796 1.00 0.00 C ATOM 117 CD1 LEU A 9 -0.327 -0.966 -8.933 1.00 0.00 C ATOM 118 CD2 LEU A 9 2.176 -0.744 -8.621 1.00 0.00 C ATOM 119 H LEU A 9 -1.188 -1.793 -6.727 1.00 0.00 H ATOM 120 HA LEU A 9 0.847 -3.709 -5.816 1.00 0.00 H ATOM 121 HB2 LEU A 9 1.931 -3.462 -7.897 1.00 0.00 H ATOM 122 HB3 LEU A 9 0.225 -3.633 -8.120 1.00 0.00 H ATOM 123 HG LEU A 9 1.171 -2.218 -9.773 1.00 0.00 H ATOM 124 HD11 LEU A 9 -0.315 -0.281 -9.802 1.00 0.00 H ATOM 125 HD12 LEU A 9 -1.179 -1.655 -9.084 1.00 0.00 H ATOM 126 HD13 LEU A 9 -0.550 -0.350 -8.043 1.00 0.00 H ATOM 127 HD21 LEU A 9 3.144 -1.271 -8.532 1.00 0.00 H ATOM 128 HD22 LEU A 9 2.264 -0.058 -9.485 1.00 0.00 H ATOM 129 HD23 LEU A 9 2.062 -0.112 -7.721 1.00 0.00 H ATOM 130 N ILE A 10 1.668 -0.826 -4.807 1.00 0.00 N ATOM 131 CA ILE A 10 2.681 -0.020 -4.085 1.00 0.00 C ATOM 132 C ILE A 10 2.088 0.192 -2.652 1.00 0.00 C ATOM 133 O ILE A 10 1.068 0.875 -2.490 1.00 0.00 O ATOM 134 CB ILE A 10 3.114 1.280 -4.852 1.00 0.00 C ATOM 135 CG1 ILE A 10 4.289 2.042 -4.170 1.00 0.00 C ATOM 136 CG2 ILE A 10 1.977 2.284 -5.165 1.00 0.00 C ATOM 137 CD1 ILE A 10 5.579 1.227 -3.978 1.00 0.00 C ATOM 138 H ILE A 10 0.678 -0.723 -4.578 1.00 0.00 H ATOM 139 HA ILE A 10 3.606 -0.626 -4.043 1.00 0.00 H ATOM 140 HB ILE A 10 3.494 0.945 -5.837 1.00 0.00 H ATOM 141 HG12 ILE A 10 4.546 2.935 -4.773 1.00 0.00 H ATOM 142 HG13 ILE A 10 3.968 2.441 -3.189 1.00 0.00 H ATOM 143 HG21 ILE A 10 1.129 1.799 -5.681 1.00 0.00 H ATOM 144 HG22 ILE A 10 1.579 2.759 -4.250 1.00 0.00 H ATOM 145 HG23 ILE A 10 2.323 3.100 -5.827 1.00 0.00 H ATOM 146 HD11 ILE A 10 5.917 0.767 -4.925 1.00 0.00 H ATOM 147 HD12 ILE A 10 6.400 1.861 -3.602 1.00 0.00 H ATOM 148 HD13 ILE A 10 5.444 0.411 -3.243 1.00 0.00 H HETATM 149 N SET A 11 2.722 -0.389 -1.614 1.00 0.00 N HETATM 150 CA SET A 11 2.256 -0.282 -0.204 1.00 0.00 C HETATM 151 CB SET A 11 2.763 1.040 0.463 1.00 0.00 C HETATM 152 OG SET A 11 3.709 1.022 1.257 1.00 0.00 O HETATM 153 NT SET A 11 2.081 -2.827 0.096 1.00 0.00 N HETATM 154 C SET A 11 2.698 -1.561 0.573 1.00 0.00 C HETATM 155 H SET A 11 3.451 -1.065 -1.841 1.00 0.00 H HETATM 156 HA SET A 11 1.147 -0.317 -0.167 1.00 0.00 H HETATM 157 HB2 SET A 11 3.799 -1.669 0.532 1.00 0.00 H HETATM 158 HB3 SET A 11 2.480 -1.436 1.652 1.00 0.00 H HETATM 159 HNT2 SET A 11 2.581 -3.474 -0.525 1.00 0.00 H ATOM 160 N THR A 12 2.145 2.191 0.120 1.00 0.00 N ATOM 161 CA THR A 12 2.515 3.519 0.686 1.00 0.00 C ATOM 162 C THR A 12 1.182 4.290 0.937 1.00 0.00 C ATOM 163 O THR A 12 0.732 4.345 2.085 1.00 0.00 O ATOM 164 CB THR A 12 3.589 4.250 -0.187 1.00 0.00 C ATOM 165 OG1 THR A 12 4.738 3.426 -0.362 1.00 0.00 O ATOM 166 CG2 THR A 12 4.084 5.575 0.419 1.00 0.00 C ATOM 167 H THR A 12 1.606 2.153 -0.753 1.00 0.00 H ATOM 168 HA THR A 12 2.969 3.370 1.687 1.00 0.00 H ATOM 169 HB THR A 12 3.170 4.459 -1.190 1.00 0.00 H ATOM 170 HG1 THR A 12 5.031 3.184 0.520 1.00 0.00 H ATOM 171 HG21 THR A 12 4.855 6.043 -0.219 1.00 0.00 H ATOM 172 HG22 THR A 12 3.266 6.310 0.526 1.00 0.00 H ATOM 173 HG23 THR A 12 4.530 5.428 1.420 1.00 0.00 H ATOM 174 N THR A 13 0.550 4.867 -0.108 1.00 0.00 N ATOM 175 CA THR A 13 -0.731 5.619 0.013 1.00 0.00 C ATOM 176 C THR A 13 -1.757 5.055 -1.017 1.00 0.00 C ATOM 177 O THR A 13 -2.676 4.333 -0.615 1.00 0.00 O ATOM 178 CB THR A 13 -0.525 7.167 -0.052 1.00 0.00 C ATOM 179 OG1 THR A 13 0.244 7.552 -1.189 1.00 0.00 O ATOM 180 CG2 THR A 13 0.130 7.777 1.199 1.00 0.00 C ATOM 181 H THR A 13 1.062 4.860 -0.994 1.00 0.00 H ATOM 182 HA THR A 13 -1.191 5.416 1.002 1.00 0.00 H ATOM 183 HB THR A 13 -1.521 7.630 -0.154 1.00 0.00 H ATOM 184 HG1 THR A 13 1.153 7.323 -0.981 1.00 0.00 H ATOM 185 HG21 THR A 13 -0.455 7.558 2.112 1.00 0.00 H ATOM 186 HG22 THR A 13 1.152 7.390 1.363 1.00 0.00 H ATOM 187 HG23 THR A 13 0.205 8.877 1.117 1.00 0.00 H ATOM 188 N ALA A 14 -1.600 5.350 -2.326 1.00 0.00 N ATOM 189 CA ALA A 14 -2.522 4.871 -3.388 1.00 0.00 C ATOM 190 C ALA A 14 -2.355 3.377 -3.757 1.00 0.00 C ATOM 191 O ALA A 14 -3.309 2.610 -3.875 1.00 0.00 O ATOM 192 CB ALA A 14 -2.340 5.766 -4.627 1.00 0.00 C ATOM 193 OXT ALA A 14 -1.047 3.005 -3.946 1.00 0.00 O ATOM 194 H ALA A 14 -0.819 5.983 -2.530 1.00 0.00 H ATOM 195 HA ALA A 14 -3.564 5.012 -3.040 1.00 0.00 H ATOM 196 HB1 ALA A 14 -2.525 6.832 -4.396 1.00 0.00 H ATOM 197 HB2 ALA A 14 -1.320 5.694 -5.053 1.00 0.00 H ATOM 198 HB3 ALA A 14 -3.047 5.493 -5.433 1.00 0.00 H ATOM 199 HXT ALA A 14 -0.976 2.075 -4.172 1.00 0.00 H TER 200 ALA A 14