HETATM 1 C ACE A 1 -3.490 2.268 -5.862 1.00 0.00 C HETATM 2 O ACE A 1 -4.511 2.912 -6.113 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.694 2.541 -4.591 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.638 2.777 -4.816 1.00 0.00 H HETATM 5 H2 ACE A 1 -3.112 3.402 -4.038 1.00 0.00 H HETATM 6 H3 ACE A 1 -2.714 1.672 -3.908 1.00 0.00 H ATOM 7 N ILE A 2 -2.991 1.311 -6.653 1.00 0.00 N ATOM 8 CA ILE A 2 -3.636 0.884 -7.937 1.00 0.00 C ATOM 9 C ILE A 2 -4.642 -0.292 -7.711 1.00 0.00 C ATOM 10 O ILE A 2 -5.799 -0.188 -8.127 1.00 0.00 O ATOM 11 CB ILE A 2 -2.618 0.650 -9.115 1.00 0.00 C ATOM 12 CG1 ILE A 2 -1.476 -0.378 -8.838 1.00 0.00 C ATOM 13 CG2 ILE A 2 -2.041 1.996 -9.621 1.00 0.00 C ATOM 14 CD1 ILE A 2 -0.734 -0.902 -10.078 1.00 0.00 C ATOM 15 H ILE A 2 -2.227 0.772 -6.230 1.00 0.00 H ATOM 16 HA ILE A 2 -4.282 1.715 -8.286 1.00 0.00 H ATOM 17 HB ILE A 2 -3.214 0.246 -9.957 1.00 0.00 H ATOM 18 HG12 ILE A 2 -0.744 0.051 -8.128 1.00 0.00 H ATOM 19 HG13 ILE A 2 -1.884 -1.265 -8.324 1.00 0.00 H ATOM 20 HG21 ILE A 2 -2.841 2.717 -9.874 1.00 0.00 H ATOM 21 HG22 ILE A 2 -1.395 2.480 -8.865 1.00 0.00 H ATOM 22 HG23 ILE A 2 -1.435 1.873 -10.538 1.00 0.00 H ATOM 23 HD11 ILE A 2 -1.426 -1.387 -10.792 1.00 0.00 H ATOM 24 HD12 ILE A 2 -0.202 -0.099 -10.619 1.00 0.00 H ATOM 25 HD13 ILE A 2 0.022 -1.658 -9.796 1.00 0.00 H ATOM 26 N TRP A 3 -4.214 -1.389 -7.055 1.00 0.00 N ATOM 27 CA TRP A 3 -5.077 -2.569 -6.762 1.00 0.00 C ATOM 28 C TRP A 3 -6.024 -2.341 -5.542 1.00 0.00 C ATOM 29 O TRP A 3 -7.236 -2.534 -5.671 1.00 0.00 O ATOM 30 CB TRP A 3 -4.204 -3.849 -6.587 1.00 0.00 C ATOM 31 CG TRP A 3 -3.359 -4.252 -7.806 1.00 0.00 C ATOM 32 CD1 TRP A 3 -3.864 -4.501 -9.096 1.00 0.00 C ATOM 33 CD2 TRP A 3 -1.984 -4.360 -7.918 1.00 0.00 C ATOM 34 NE1 TRP A 3 -2.837 -4.763 -10.022 1.00 0.00 N ATOM 35 CE2 TRP A 3 -1.678 -4.667 -9.269 1.00 0.00 C ATOM 36 CE3 TRP A 3 -0.944 -4.188 -6.969 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -0.330 -4.799 -9.680 1.00 0.00 C ATOM 38 CZ3 TRP A 3 0.377 -4.327 -7.396 1.00 0.00 C ATOM 39 CH2 TRP A 3 0.680 -4.626 -8.731 1.00 0.00 C ATOM 40 H TRP A 3 -3.208 -1.383 -6.846 1.00 0.00 H ATOM 41 HA TRP A 3 -5.732 -2.748 -7.638 1.00 0.00 H ATOM 42 HB2 TRP A 3 -3.551 -3.737 -5.700 1.00 0.00 H ATOM 43 HB3 TRP A 3 -4.861 -4.704 -6.339 1.00 0.00 H ATOM 44 HD1 TRP A 3 -4.913 -4.431 -9.341 1.00 0.00 H ATOM 45 HE1 TRP A 3 -2.923 -4.946 -11.028 1.00 0.00 H ATOM 46 HE3 TRP A 3 -1.162 -3.950 -5.938 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -0.083 -5.023 -10.708 1.00 0.00 H ATOM 48 HZ3 TRP A 3 1.180 -4.197 -6.686 1.00 0.00 H ATOM 49 HH2 TRP A 3 1.713 -4.723 -9.032 1.00 0.00 H ATOM 50 N GLY A 4 -5.474 -1.947 -4.379 1.00 0.00 N ATOM 51 CA GLY A 4 -6.272 -1.689 -3.161 1.00 0.00 C ATOM 52 C GLY A 4 -5.407 -0.993 -2.098 1.00 0.00 C ATOM 53 O GLY A 4 -5.197 0.221 -2.174 1.00 0.00 O ATOM 54 H GLY A 4 -4.461 -1.795 -4.432 1.00 0.00 H ATOM 55 HA2 GLY A 4 -7.132 -1.034 -3.399 1.00 0.00 H ATOM 56 HA3 GLY A 4 -6.710 -2.634 -2.785 1.00 0.00 H ATOM 57 N ASP A 5 -4.926 -1.768 -1.109 1.00 0.00 N ATOM 58 CA ASP A 5 -4.060 -1.251 -0.012 1.00 0.00 C ATOM 59 C ASP A 5 -2.906 -2.278 0.300 1.00 0.00 C ATOM 60 O ASP A 5 -3.019 -3.469 -0.018 1.00 0.00 O ATOM 61 CB ASP A 5 -4.949 -0.920 1.231 1.00 0.00 C ATOM 62 CG ASP A 5 -4.230 -0.119 2.336 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.742 -0.702 3.307 1.00 0.00 O ATOM 64 H ASP A 5 -5.161 -2.764 -1.186 1.00 0.00 H ATOM 65 HA ASP A 5 -3.615 -0.304 -0.384 1.00 0.00 H ATOM 66 HB2 ASP A 5 -5.852 -0.358 0.919 1.00 0.00 H ATOM 67 HB3 ASP A 5 -5.343 -1.856 1.670 1.00 0.00 H ATOM 68 N SER A 6 -1.794 -1.840 0.940 1.00 0.00 N ATOM 69 CA SER A 6 -0.650 -2.733 1.280 1.00 0.00 C ATOM 70 C SER A 6 -0.916 -3.622 2.534 1.00 0.00 C ATOM 71 O SER A 6 -0.907 -4.848 2.396 1.00 0.00 O ATOM 72 CB SER A 6 0.654 -1.910 1.411 1.00 0.00 C ATOM 73 OG SER A 6 0.976 -1.249 0.191 1.00 0.00 O ATOM 74 H SER A 6 -1.797 -0.884 1.310 1.00 0.00 H ATOM 75 HA SER A 6 -0.482 -3.421 0.427 1.00 0.00 H ATOM 76 HB2 SER A 6 0.573 -1.166 2.225 1.00 0.00 H ATOM 77 HB3 SER A 6 1.500 -2.568 1.687 1.00 0.00 H ATOM 78 HG SER A 6 1.664 -0.609 0.397 1.00 0.00 H ATOM 79 N GLY A 7 -1.144 -3.032 3.728 1.00 0.00 N ATOM 80 CA GLY A 7 -1.400 -3.802 4.973 1.00 0.00 C ATOM 81 C GLY A 7 -0.553 -3.398 6.200 1.00 0.00 C ATOM 82 O GLY A 7 -1.105 -3.274 7.297 1.00 0.00 O ATOM 83 H GLY A 7 -1.100 -2.008 3.734 1.00 0.00 H ATOM 84 HA2 GLY A 7 -2.470 -3.686 5.228 1.00 0.00 H ATOM 85 HA3 GLY A 7 -1.269 -4.891 4.823 1.00 0.00 H ATOM 86 N LYS A 8 0.772 -3.219 6.029 1.00 0.00 N ATOM 87 CA LYS A 8 1.695 -2.854 7.137 1.00 0.00 C ATOM 88 C LYS A 8 1.626 -1.350 7.551 1.00 0.00 C ATOM 89 O LYS A 8 1.224 -1.074 8.685 1.00 0.00 O ATOM 90 CB LYS A 8 3.119 -3.365 6.772 1.00 0.00 C ATOM 91 CG LYS A 8 4.148 -3.305 7.924 1.00 0.00 C ATOM 92 CD LYS A 8 5.539 -3.839 7.518 1.00 0.00 C ATOM 93 CE LYS A 8 6.619 -3.734 8.614 1.00 0.00 C ATOM 94 NZ LYS A 8 6.401 -4.680 9.732 1.00 0.00 N ATOM 95 H LYS A 8 1.077 -3.242 5.050 1.00 0.00 H ATOM 96 HA LYS A 8 1.389 -3.440 8.028 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.055 -4.418 6.431 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.507 -2.804 5.900 1.00 0.00 H ATOM 99 HG2 LYS A 8 4.248 -2.261 8.277 1.00 0.00 H ATOM 100 HG3 LYS A 8 3.762 -3.877 8.789 1.00 0.00 H ATOM 101 HD2 LYS A 8 5.458 -4.886 7.164 1.00 0.00 H ATOM 102 HD3 LYS A 8 5.891 -3.269 6.637 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.612 -3.932 8.166 1.00 0.00 H ATOM 104 HE3 LYS A 8 6.675 -2.697 9.001 1.00 0.00 H ATOM 105 HZ1 LYS A 8 5.506 -4.511 10.205 1.00 0.00 H ATOM 106 HZ2 LYS A 8 6.387 -5.654 9.410 1.00 0.00 H ATOM 107 HZ3 LYS A 8 7.135 -4.611 10.447 1.00 0.00 H ATOM 108 N LEU A 9 2.021 -0.402 6.673 1.00 0.00 N ATOM 109 CA LEU A 9 2.011 1.056 6.996 1.00 0.00 C ATOM 110 C LEU A 9 1.467 1.920 5.818 1.00 0.00 C ATOM 111 O LEU A 9 0.376 2.484 5.948 1.00 0.00 O ATOM 112 CB LEU A 9 3.409 1.551 7.493 1.00 0.00 C ATOM 113 CG LEU A 9 3.907 1.058 8.882 1.00 0.00 C ATOM 114 CD1 LEU A 9 5.392 1.414 9.083 1.00 0.00 C ATOM 115 CD2 LEU A 9 3.075 1.621 10.053 1.00 0.00 C ATOM 116 H LEU A 9 2.272 -0.763 5.746 1.00 0.00 H ATOM 117 HA LEU A 9 1.296 1.240 7.822 1.00 0.00 H ATOM 118 HB2 LEU A 9 4.161 1.285 6.725 1.00 0.00 H ATOM 119 HB3 LEU A 9 3.417 2.659 7.507 1.00 0.00 H ATOM 120 HG LEU A 9 3.834 -0.043 8.914 1.00 0.00 H ATOM 121 HD11 LEU A 9 5.565 2.507 9.070 1.00 0.00 H ATOM 122 HD12 LEU A 9 5.778 1.034 10.048 1.00 0.00 H ATOM 123 HD13 LEU A 9 6.028 0.974 8.293 1.00 0.00 H ATOM 124 HD21 LEU A 9 3.451 1.264 11.030 1.00 0.00 H ATOM 125 HD22 LEU A 9 3.088 2.726 10.080 1.00 0.00 H ATOM 126 HD23 LEU A 9 2.017 1.307 9.995 1.00 0.00 H ATOM 127 N ILE A 10 2.199 2.035 4.687 1.00 0.00 N ATOM 128 CA ILE A 10 1.782 2.870 3.522 1.00 0.00 C ATOM 129 C ILE A 10 0.717 2.163 2.625 1.00 0.00 C ATOM 130 O ILE A 10 1.055 1.332 1.776 1.00 0.00 O ATOM 131 CB ILE A 10 3.045 3.421 2.757 1.00 0.00 C ATOM 132 CG1 ILE A 10 2.726 4.495 1.674 1.00 0.00 C ATOM 133 CG2 ILE A 10 3.965 2.340 2.126 1.00 0.00 C ATOM 134 CD1 ILE A 10 2.131 5.810 2.202 1.00 0.00 C ATOM 135 H ILE A 10 3.090 1.527 4.697 1.00 0.00 H ATOM 136 HA ILE A 10 1.310 3.778 3.947 1.00 0.00 H ATOM 137 HB ILE A 10 3.674 3.932 3.513 1.00 0.00 H ATOM 138 HG12 ILE A 10 3.651 4.757 1.125 1.00 0.00 H ATOM 139 HG13 ILE A 10 2.051 4.075 0.903 1.00 0.00 H ATOM 140 HG21 ILE A 10 4.258 1.565 2.858 1.00 0.00 H ATOM 141 HG22 ILE A 10 3.486 1.822 1.275 1.00 0.00 H ATOM 142 HG23 ILE A 10 4.905 2.779 1.744 1.00 0.00 H ATOM 143 HD11 ILE A 10 2.024 6.550 1.387 1.00 0.00 H ATOM 144 HD12 ILE A 10 1.127 5.666 2.640 1.00 0.00 H ATOM 145 HD13 ILE A 10 2.773 6.270 2.976 1.00 0.00 H HETATM 146 N SET A 11 -0.571 2.516 2.811 1.00 0.00 N HETATM 147 CA SET A 11 -1.687 1.939 2.006 1.00 0.00 C HETATM 148 CB SET A 11 -1.784 2.519 0.555 1.00 0.00 C HETATM 149 OG SET A 11 -1.989 1.734 -0.375 1.00 0.00 O HETATM 150 NT SET A 11 -4.100 1.198 2.121 1.00 0.00 N HETATM 151 C SET A 11 -3.031 2.001 2.790 1.00 0.00 C HETATM 152 H SET A 11 -0.731 3.173 3.583 1.00 0.00 H HETATM 153 HA SET A 11 -1.461 0.860 1.890 1.00 0.00 H HETATM 154 HB2 SET A 11 -2.876 1.658 3.837 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.358 3.053 2.904 1.00 0.00 H HETATM 156 HNT2 SET A 11 -4.575 1.499 1.255 1.00 0.00 H ATOM 157 N THR A 12 -1.639 3.849 0.352 1.00 0.00 N ATOM 158 CA THR A 12 -1.704 4.484 -1.004 1.00 0.00 C ATOM 159 C THR A 12 -0.589 4.122 -2.062 1.00 0.00 C ATOM 160 O THR A 12 -0.610 4.676 -3.166 1.00 0.00 O ATOM 161 CB THR A 12 -1.926 6.019 -0.822 1.00 0.00 C ATOM 162 OG1 THR A 12 -2.342 6.595 -2.056 1.00 0.00 O ATOM 163 CG2 THR A 12 -0.716 6.823 -0.310 1.00 0.00 C ATOM 164 H THR A 12 -1.539 4.407 1.207 1.00 0.00 H ATOM 165 HA THR A 12 -2.638 4.110 -1.466 1.00 0.00 H ATOM 166 HB THR A 12 -2.757 6.178 -0.107 1.00 0.00 H ATOM 167 HG1 THR A 12 -1.652 6.385 -2.691 1.00 0.00 H ATOM 168 HG21 THR A 12 0.153 6.744 -0.990 1.00 0.00 H ATOM 169 HG22 THR A 12 -0.959 7.897 -0.214 1.00 0.00 H ATOM 170 HG23 THR A 12 -0.389 6.475 0.686 1.00 0.00 H ATOM 171 N THR A 13 0.361 3.219 -1.749 1.00 0.00 N ATOM 172 CA THR A 13 1.429 2.770 -2.681 1.00 0.00 C ATOM 173 C THR A 13 1.295 1.215 -2.708 1.00 0.00 C ATOM 174 O THR A 13 1.981 0.508 -1.961 1.00 0.00 O ATOM 175 CB THR A 13 2.818 3.309 -2.220 1.00 0.00 C ATOM 176 OG1 THR A 13 2.794 4.732 -2.128 1.00 0.00 O ATOM 177 CG2 THR A 13 3.972 2.946 -3.170 1.00 0.00 C ATOM 178 H THR A 13 0.232 2.776 -0.833 1.00 0.00 H ATOM 179 HA THR A 13 1.248 3.156 -3.705 1.00 0.00 H ATOM 180 HB THR A 13 3.055 2.907 -1.216 1.00 0.00 H ATOM 181 HG1 THR A 13 2.609 5.053 -3.014 1.00 0.00 H ATOM 182 HG21 THR A 13 4.109 1.852 -3.251 1.00 0.00 H ATOM 183 HG22 THR A 13 3.806 3.335 -4.191 1.00 0.00 H ATOM 184 HG23 THR A 13 4.932 3.363 -2.812 1.00 0.00 H ATOM 185 N ALA A 14 0.388 0.699 -3.565 1.00 0.00 N ATOM 186 CA ALA A 14 0.126 -0.755 -3.692 1.00 0.00 C ATOM 187 C ALA A 14 -0.183 -1.084 -5.166 1.00 0.00 C ATOM 188 O ALA A 14 -1.316 -1.108 -5.648 1.00 0.00 O ATOM 189 CB ALA A 14 -1.029 -1.156 -2.748 1.00 0.00 C ATOM 190 OXT ALA A 14 0.953 -1.349 -5.885 1.00 0.00 O ATOM 191 H ALA A 14 -0.143 1.396 -4.098 1.00 0.00 H ATOM 192 HA ALA A 14 1.021 -1.339 -3.398 1.00 0.00 H ATOM 193 HB1 ALA A 14 -0.797 -0.913 -1.695 1.00 0.00 H ATOM 194 HB2 ALA A 14 -1.977 -0.639 -2.994 1.00 0.00 H ATOM 195 HB3 ALA A 14 -1.230 -2.242 -2.787 1.00 0.00 H ATOM 196 HXT ALA A 14 0.747 -1.556 -6.799 1.00 0.00 H TER 197 ALA A 14