HETATM 1 C ACE A 1 -12.880 -2.399 -6.829 1.00 0.00 C HETATM 2 O ACE A 1 -14.006 -1.920 -6.963 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.541 -3.716 -7.436 1.00 0.00 C HETATM 4 H1 ACE A 1 -11.874 -4.262 -6.769 1.00 0.00 H HETATM 5 H2 ACE A 1 -13.454 -4.292 -7.589 1.00 0.00 H HETATM 6 H3 ACE A 1 -12.046 -3.558 -8.394 1.00 0.00 H ATOM 7 N ILE A 2 -11.894 -1.820 -6.160 1.00 0.00 N ATOM 8 CA ILE A 2 -12.083 -0.530 -5.515 1.00 0.00 C ATOM 9 C ILE A 2 -10.718 0.057 -5.151 1.00 0.00 C ATOM 10 O ILE A 2 -9.821 -0.667 -4.722 1.00 0.00 O ATOM 11 CB ILE A 2 -13.034 -0.662 -4.324 1.00 0.00 C ATOM 12 CG1 ILE A 2 -12.770 0.435 -3.289 1.00 0.00 C ATOM 13 CG2 ILE A 2 -12.954 -2.061 -3.710 1.00 0.00 C ATOM 14 CD1 ILE A 2 -14.057 0.818 -2.556 1.00 0.00 C ATOM 15 H ILE A 2 -10.981 -2.214 -6.055 1.00 0.00 H ATOM 16 HA ILE A 2 -12.561 0.130 -6.238 1.00 0.00 H ATOM 17 HB ILE A 2 -14.053 -0.525 -4.684 1.00 0.00 H ATOM 18 HG13 ILE A 2 -12.353 1.312 -3.782 1.00 0.00 H ATOM 19 HG21 ILE A 2 -13.748 -2.684 -4.122 1.00 0.00 H ATOM 20 HG22 ILE A 2 -11.987 -2.506 -3.943 1.00 0.00 H ATOM 21 HG23 ILE A 2 -13.071 -1.991 -2.629 1.00 0.00 H ATOM 22 HD11 ILE A 2 -14.910 0.667 -3.218 1.00 0.00 H ATOM 23 HD12 ILE A 2 -14.170 0.193 -1.670 1.00 0.00 H ATOM 24 HD13 ILE A 2 -14.008 1.866 -2.260 1.00 0.00 H ATOM 25 N TRP A 3 -10.604 1.365 -5.335 1.00 0.00 N ATOM 26 CA TRP A 3 -9.363 2.058 -5.031 1.00 0.00 C ATOM 27 C TRP A 3 -9.128 1.965 -3.522 1.00 0.00 C ATOM 28 O TRP A 3 -9.946 2.433 -2.732 1.00 0.00 O ATOM 29 CB TRP A 3 -9.401 3.498 -5.543 1.00 0.00 C ATOM 30 CG TRP A 3 -9.334 3.620 -7.067 1.00 0.00 C ATOM 31 CD1 TRP A 3 -8.247 3.776 -7.835 1.00 0.00 C ATOM 32 CD2 TRP A 3 -10.449 3.587 -7.982 1.00 0.00 C ATOM 33 NE1 TRP A 3 -8.579 3.847 -9.173 1.00 0.00 N ATOM 34 CE2 TRP A 3 -9.961 3.728 -9.264 1.00 0.00 C ATOM 35 CE3 TRP A 3 -11.826 3.444 -7.734 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -10.780 3.740 -10.400 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -12.631 3.457 -8.879 1.00 0.00 C ATOM 38 CH2 TRP A 3 -12.154 3.598 -10.177 1.00 0.00 C ATOM 39 H TRP A 3 -11.338 1.946 -5.684 1.00 0.00 H ATOM 40 HA TRP A 3 -8.559 1.551 -5.566 1.00 0.00 H ATOM 41 HB3 TRP A 3 -8.567 4.050 -5.108 1.00 0.00 H ATOM 42 HD1 TRP A 3 -7.228 3.840 -7.452 1.00 0.00 H ATOM 43 HE1 TRP A 3 -7.885 3.973 -10.003 1.00 0.00 H ATOM 44 HE3 TRP A 3 -12.236 3.331 -6.731 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -10.369 3.853 -11.403 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -13.707 3.348 -8.743 1.00 0.00 H ATOM 47 HH2 TRP A 3 -12.848 3.598 -11.018 1.00 0.00 H ATOM 48 N GLY A 4 -8.005 1.358 -3.167 1.00 0.00 N ATOM 49 CA GLY A 4 -7.651 1.199 -1.767 1.00 0.00 C ATOM 50 C GLY A 4 -6.312 1.872 -1.459 1.00 0.00 C ATOM 51 O GLY A 4 -6.258 2.832 -0.690 1.00 0.00 O ATOM 52 H GLY A 4 -7.343 0.980 -3.815 1.00 0.00 H ATOM 53 HA2 GLY A 4 -8.432 1.629 -1.140 1.00 0.00 H ATOM 54 HA3 GLY A 4 -7.594 0.138 -1.521 1.00 0.00 H ATOM 55 N CYS A 5 -5.265 1.344 -2.075 1.00 0.00 N ATOM 56 CA CYS A 5 -3.930 1.883 -1.876 1.00 0.00 C ATOM 57 C CYS A 5 -3.504 2.596 -3.162 1.00 0.00 C ATOM 58 O CYS A 5 -3.809 2.174 -4.277 1.00 0.00 O ATOM 59 CB CYS A 5 -2.935 0.793 -1.472 1.00 0.00 C ATOM 60 SG CYS A 5 -1.178 1.306 -1.511 1.00 0.00 S ATOM 61 H CYS A 5 -5.318 0.564 -2.699 1.00 0.00 H ATOM 62 HA CYS A 5 -3.996 2.587 -1.047 1.00 0.00 H ATOM 63 HB3 CYS A 5 -3.064 -0.062 -2.135 1.00 0.00 H HETATM 64 N B3S A 6 -2.780 3.706 -2.978 1.00 0.00 N HETATM 65 OD B3S A 6 -3.758 6.259 -4.306 1.00 0.00 O HETATM 66 CG B3S A 6 -3.152 5.147 -4.969 1.00 0.00 C HETATM 67 CB B3S A 6 -2.106 4.424 -4.088 1.00 0.00 C HETATM 68 CA B3S A 6 -1.068 5.423 -3.519 1.00 0.00 C HETATM 69 C B3S A 6 0.061 4.809 -2.684 1.00 0.00 C HETATM 70 O B3S A 6 1.151 4.620 -3.221 1.00 0.00 O HETATM 71 H B3S A 6 -2.610 3.925 -1.992 1.00 0.00 H HETATM 72 HD B3S A 6 -3.965 6.901 -4.994 1.00 0.00 H HETATM 73 HG2 B3S A 6 -3.937 4.431 -5.282 1.00 0.00 H HETATM 74 HB B3S A 6 -1.568 3.700 -4.739 1.00 0.00 H HETATM 75 HA1 B3S A 6 -0.627 6.014 -4.341 1.00 0.00 H HETATM 76 HA2 B3S A 6 -1.580 6.178 -2.894 1.00 0.00 H ATOM 77 N GLY A 7 -0.219 4.505 -1.425 1.00 0.00 N ATOM 78 CA GLY A 7 0.782 3.904 -0.561 1.00 0.00 C ATOM 79 C GLY A 7 2.185 4.400 -0.918 1.00 0.00 C ATOM 80 O GLY A 7 2.848 3.829 -1.782 1.00 0.00 O ATOM 81 H GLY A 7 -1.109 4.661 -0.996 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.562 4.143 0.480 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.743 2.819 -0.652 1.00 0.00 H ATOM 84 N LYS A 8 2.594 5.459 -0.235 1.00 0.00 N ATOM 85 CA LYS A 8 3.906 6.040 -0.470 1.00 0.00 C ATOM 86 C LYS A 8 4.959 5.234 0.294 1.00 0.00 C ATOM 87 O LYS A 8 5.764 5.801 1.031 1.00 0.00 O ATOM 88 CB LYS A 8 3.902 7.531 -0.124 1.00 0.00 C ATOM 89 CG LYS A 8 3.553 8.377 -1.350 1.00 0.00 C ATOM 90 CD LYS A 8 2.765 9.625 -0.949 1.00 0.00 C ATOM 91 CE LYS A 8 1.260 9.398 -1.108 1.00 0.00 C ATOM 92 NZ LYS A 8 0.764 10.054 -2.339 1.00 0.00 N ATOM 93 H LYS A 8 2.048 5.918 0.466 1.00 0.00 H ATOM 94 HA LYS A 8 4.114 5.956 -1.537 1.00 0.00 H ATOM 95 HB3 LYS A 8 4.880 7.822 0.257 1.00 0.00 H ATOM 96 HG3 LYS A 8 2.969 7.782 -2.053 1.00 0.00 H ATOM 97 HD3 LYS A 8 3.076 10.470 -1.565 1.00 0.00 H ATOM 98 HE3 LYS A 8 0.733 9.793 -0.240 1.00 0.00 H ATOM 99 HZ1 LYS A 8 0.178 9.437 -2.888 1.00 0.00 H ATOM 100 HZ2 LYS A 8 0.211 10.878 -2.132 1.00 0.00 H ATOM 101 N LEU A 9 4.919 3.926 0.090 1.00 0.00 N ATOM 102 CA LEU A 9 5.861 3.037 0.750 1.00 0.00 C ATOM 103 C LEU A 9 5.782 1.650 0.107 1.00 0.00 C ATOM 104 O LEU A 9 6.801 1.087 -0.288 1.00 0.00 O ATOM 105 CB LEU A 9 5.622 3.029 2.261 1.00 0.00 C ATOM 106 CG LEU A 9 6.817 3.420 3.131 1.00 0.00 C ATOM 107 CD1 LEU A 9 8.083 2.684 2.686 1.00 0.00 C ATOM 108 CD2 LEU A 9 7.013 4.937 3.146 1.00 0.00 C ATOM 109 H LEU A 9 4.262 3.473 -0.513 1.00 0.00 H ATOM 110 HA LEU A 9 6.860 3.438 0.584 1.00 0.00 H ATOM 111 HB3 LEU A 9 5.296 2.030 2.552 1.00 0.00 H ATOM 112 HG LEU A 9 6.609 3.111 4.156 1.00 0.00 H ATOM 113 HD11 LEU A 9 8.894 3.401 2.561 1.00 0.00 H ATOM 114 HD12 LEU A 9 8.361 1.949 3.442 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.895 2.178 1.739 1.00 0.00 H ATOM 116 HD21 LEU A 9 7.602 5.219 4.019 1.00 0.00 H ATOM 117 HD22 LEU A 9 7.533 5.246 2.240 1.00 0.00 H ATOM 118 HD23 LEU A 9 6.040 5.428 3.191 1.00 0.00 H ATOM 119 N ILE A 10 4.562 1.141 0.024 1.00 0.00 N ATOM 120 CA ILE A 10 4.337 -0.170 -0.563 1.00 0.00 C ATOM 121 C ILE A 10 2.908 -0.241 -1.106 1.00 0.00 C ATOM 122 O ILE A 10 1.960 -0.432 -0.346 1.00 0.00 O ATOM 123 CB ILE A 10 4.667 -1.272 0.445 1.00 0.00 C ATOM 124 CG1 ILE A 10 3.503 -1.499 1.412 1.00 0.00 C ATOM 125 CG2 ILE A 10 5.973 -0.969 1.182 1.00 0.00 C ATOM 126 CD1 ILE A 10 2.542 -2.561 0.874 1.00 0.00 C ATOM 127 H ILE A 10 3.738 1.605 0.349 1.00 0.00 H ATOM 128 HA ILE A 10 5.030 -0.277 -1.397 1.00 0.00 H ATOM 129 HB ILE A 10 4.816 -2.202 -0.103 1.00 0.00 H ATOM 130 HG13 ILE A 10 2.966 -0.562 1.566 1.00 0.00 H ATOM 131 HG21 ILE A 10 6.790 -0.903 0.463 1.00 0.00 H ATOM 132 HG22 ILE A 10 5.879 -0.021 1.713 1.00 0.00 H ATOM 133 HG23 ILE A 10 6.182 -1.766 1.896 1.00 0.00 H ATOM 134 HD11 ILE A 10 2.832 -3.540 1.258 1.00 0.00 H ATOM 135 HD12 ILE A 10 1.527 -2.330 1.196 1.00 0.00 H ATOM 136 HD13 ILE A 10 2.584 -2.571 -0.215 1.00 0.00 H ATOM 137 N CYS A 11 2.800 -0.085 -2.418 1.00 0.00 N ATOM 138 CA CYS A 11 1.503 -0.129 -3.072 1.00 0.00 C ATOM 139 C CYS A 11 1.557 -1.189 -4.174 1.00 0.00 C ATOM 140 O CYS A 11 1.022 -0.987 -5.262 1.00 0.00 O ATOM 141 CB CYS A 11 1.098 1.241 -3.618 1.00 0.00 C ATOM 142 SG CYS A 11 -0.672 1.656 -3.411 1.00 0.00 S ATOM 143 H CYS A 11 3.576 0.070 -3.029 1.00 0.00 H ATOM 144 HA CYS A 11 0.776 -0.403 -2.308 1.00 0.00 H ATOM 145 HB3 CYS A 11 1.345 1.281 -4.679 1.00 0.00 H ATOM 146 N THR A 12 2.209 -2.298 -3.853 1.00 0.00 N ATOM 147 CA THR A 12 2.340 -3.391 -4.802 1.00 0.00 C ATOM 148 C THR A 12 2.797 -4.665 -4.088 1.00 0.00 C ATOM 149 O THR A 12 3.360 -4.601 -2.997 1.00 0.00 O ATOM 150 CB THR A 12 3.292 -2.940 -5.912 1.00 0.00 C ATOM 151 OG1 THR A 12 2.831 -3.635 -7.067 1.00 0.00 O ATOM 152 CG2 THR A 12 4.716 -3.462 -5.708 1.00 0.00 C ATOM 153 H THR A 12 2.641 -2.456 -2.965 1.00 0.00 H ATOM 154 HA THR A 12 1.358 -3.596 -5.226 1.00 0.00 H ATOM 155 HB THR A 12 3.285 -1.855 -6.014 1.00 0.00 H ATOM 156 HG1 THR A 12 2.920 -4.622 -6.932 1.00 0.00 H ATOM 157 HG21 THR A 12 5.133 -3.033 -4.797 1.00 0.00 H ATOM 158 HG22 THR A 12 4.697 -4.548 -5.624 1.00 0.00 H ATOM 159 HG23 THR A 12 5.333 -3.174 -6.560 1.00 0.00 H ATOM 160 N THR A 13 2.537 -5.792 -4.735 1.00 0.00 N ATOM 161 CA THR A 13 2.915 -7.078 -4.176 1.00 0.00 C ATOM 162 C THR A 13 2.969 -8.142 -5.275 1.00 0.00 C ATOM 163 O THR A 13 1.934 -8.655 -5.699 1.00 0.00 O ATOM 164 CB THR A 13 1.931 -7.414 -3.054 1.00 0.00 C ATOM 165 OG1 THR A 13 2.255 -6.487 -2.020 1.00 0.00 O ATOM 166 CG2 THR A 13 2.203 -8.783 -2.425 1.00 0.00 C ATOM 167 H THR A 13 2.079 -5.834 -5.623 1.00 0.00 H ATOM 168 HA THR A 13 3.921 -6.993 -3.765 1.00 0.00 H ATOM 169 HB THR A 13 0.902 -7.344 -3.405 1.00 0.00 H ATOM 170 HG1 THR A 13 3.239 -6.502 -1.844 1.00 0.00 H ATOM 171 HG21 THR A 13 2.240 -8.683 -1.340 1.00 0.00 H ATOM 172 HG22 THR A 13 1.406 -9.473 -2.701 1.00 0.00 H ATOM 173 HG23 THR A 13 3.157 -9.165 -2.789 1.00 0.00 H ATOM 174 N ALA A 14 4.185 -8.442 -5.705 1.00 0.00 N ATOM 175 CA ALA A 14 4.387 -9.435 -6.746 1.00 0.00 C ATOM 176 C ALA A 14 4.128 -10.829 -6.172 1.00 0.00 C ATOM 177 O ALA A 14 4.546 -11.132 -5.055 1.00 0.00 O ATOM 178 CB ALA A 14 5.799 -9.293 -7.320 1.00 0.00 C ATOM 179 H ALA A 14 5.022 -8.021 -5.356 1.00 0.00 H ATOM 180 HA ALA A 14 3.664 -9.237 -7.538 1.00 0.00 H ATOM 181 HB1 ALA A 14 6.206 -8.321 -7.046 1.00 0.00 H ATOM 182 HB2 ALA A 14 6.435 -10.081 -6.918 1.00 0.00 H ATOM 183 HB3 ALA A 14 5.760 -9.378 -8.406 1.00 0.00 H TER 184 ALA A 14