HETATM 1 C ACE A 1 -1.983 7.171 -14.989 1.00 0.00 C HETATM 2 O ACE A 1 -3.179 7.381 -15.193 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.947 8.067 -15.575 1.00 0.00 C HETATM 4 H1 ACE A 1 0.005 7.539 -15.622 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.249 8.363 -16.580 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.840 8.955 -14.952 1.00 0.00 H ATOM 7 N ILE A 2 -1.511 6.172 -14.258 1.00 0.00 N ATOM 8 CA ILE A 2 -2.408 5.219 -13.625 1.00 0.00 C ATOM 9 C ILE A 2 -1.636 4.423 -12.570 1.00 0.00 C ATOM 10 O ILE A 2 -0.825 3.563 -12.908 1.00 0.00 O ATOM 11 CB ILE A 2 -3.090 4.344 -14.677 1.00 0.00 C ATOM 12 CG1 ILE A 2 -3.504 2.995 -14.086 1.00 0.00 C ATOM 13 CG2 ILE A 2 -2.202 4.180 -15.913 1.00 0.00 C ATOM 14 CD1 ILE A 2 -4.838 2.526 -14.669 1.00 0.00 C ATOM 15 H ILE A 2 -0.538 6.007 -14.097 1.00 0.00 H ATOM 16 HA ILE A 2 -3.190 5.790 -13.123 1.00 0.00 H ATOM 17 HB ILE A 2 -4.001 4.847 -15.001 1.00 0.00 H ATOM 18 HG13 ILE A 2 -3.586 3.080 -13.002 1.00 0.00 H ATOM 19 HG21 ILE A 2 -2.405 4.987 -16.616 1.00 0.00 H ATOM 20 HG22 ILE A 2 -1.155 4.211 -15.615 1.00 0.00 H ATOM 21 HG23 ILE A 2 -2.416 3.223 -16.389 1.00 0.00 H ATOM 22 HD11 ILE A 2 -4.693 2.221 -15.706 1.00 0.00 H ATOM 23 HD12 ILE A 2 -5.211 1.681 -14.090 1.00 0.00 H ATOM 24 HD13 ILE A 2 -5.559 3.342 -14.628 1.00 0.00 H ATOM 25 N TRP A 3 -1.916 4.739 -11.314 1.00 0.00 N ATOM 26 CA TRP A 3 -1.258 4.064 -10.208 1.00 0.00 C ATOM 27 C TRP A 3 -2.114 4.266 -8.955 1.00 0.00 C ATOM 28 O TRP A 3 -2.013 5.297 -8.291 1.00 0.00 O ATOM 29 CB TRP A 3 0.178 4.561 -10.038 1.00 0.00 C ATOM 30 CG TRP A 3 0.999 4.544 -11.329 1.00 0.00 C ATOM 31 CD1 TRP A 3 1.655 3.512 -11.876 1.00 0.00 C ATOM 32 CD2 TRP A 3 1.226 5.658 -12.219 1.00 0.00 C ATOM 33 NE1 TRP A 3 2.286 3.877 -13.048 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.017 5.224 -13.262 1.00 0.00 C ATOM 35 CE3 TRP A 3 0.778 6.988 -12.143 1.00 0.00 C ATOM 36 CZ2 TRP A 3 2.428 6.056 -14.310 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.198 7.808 -13.197 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.995 7.386 -14.256 1.00 0.00 C ATOM 39 H TRP A 3 -2.579 5.440 -11.048 1.00 0.00 H ATOM 40 HA TRP A 3 -1.201 3.003 -10.452 1.00 0.00 H ATOM 41 HB3 TRP A 3 0.679 3.944 -9.293 1.00 0.00 H ATOM 42 HD1 TRP A 3 1.687 2.509 -11.449 1.00 0.00 H ATOM 43 HE1 TRP A 3 2.885 3.229 -13.687 1.00 0.00 H ATOM 44 HE3 TRP A 3 0.153 7.356 -11.329 1.00 0.00 H ATOM 45 HZ2 TRP A 3 3.053 5.689 -15.124 1.00 0.00 H ATOM 46 HZ3 TRP A 3 0.879 8.850 -13.187 1.00 0.00 H ATOM 47 HH2 TRP A 3 2.279 8.087 -15.040 1.00 0.00 H ATOM 48 N GLY A 4 -2.936 3.266 -8.671 1.00 0.00 N ATOM 49 CA GLY A 4 -3.807 3.322 -7.510 1.00 0.00 C ATOM 50 C GLY A 4 -3.006 3.172 -6.215 1.00 0.00 C ATOM 51 O GLY A 4 -2.538 2.081 -5.893 1.00 0.00 O ATOM 52 H GLY A 4 -3.010 2.432 -9.216 1.00 0.00 H ATOM 53 HA2 GLY A 4 -4.346 4.269 -7.500 1.00 0.00 H ATOM 54 HA3 GLY A 4 -4.554 2.530 -7.573 1.00 0.00 H ATOM 55 N CYS A 5 -2.872 4.284 -5.506 1.00 0.00 N ATOM 56 CA CYS A 5 -2.135 4.290 -4.255 1.00 0.00 C ATOM 57 C CYS A 5 -2.644 5.454 -3.403 1.00 0.00 C ATOM 58 O CYS A 5 -2.894 6.559 -3.886 1.00 0.00 O ATOM 59 CB CYS A 5 -0.626 4.370 -4.486 1.00 0.00 C ATOM 60 SG CYS A 5 0.024 3.191 -5.726 1.00 0.00 S ATOM 61 H CYS A 5 -3.256 5.168 -5.775 1.00 0.00 H ATOM 62 HA CYS A 5 -2.339 3.336 -3.767 1.00 0.00 H ATOM 63 HB3 CYS A 5 -0.117 4.196 -3.539 1.00 0.00 H HETATM 64 N B3S A 6 -2.797 5.180 -2.103 1.00 0.00 N HETATM 65 OD B3S A 6 -5.234 6.118 0.146 1.00 0.00 O HETATM 66 CG B3S A 6 -3.897 5.615 0.085 1.00 0.00 C HETATM 67 CB B3S A 6 -3.085 6.222 -1.086 1.00 0.00 C HETATM 68 CA B3S A 6 -1.760 6.848 -0.581 1.00 0.00 C HETATM 69 C B3S A 6 -0.724 5.864 -0.031 1.00 0.00 C HETATM 70 O B3S A 6 -0.296 6.038 1.109 1.00 0.00 O HETATM 71 H B3S A 6 -2.549 4.218 -1.855 1.00 0.00 H HETATM 72 HD B3S A 6 -5.452 6.404 -0.748 1.00 0.00 H HETATM 73 HG2 B3S A 6 -3.380 5.822 1.043 1.00 0.00 H HETATM 74 HB B3S A 6 -3.701 7.031 -1.533 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.297 7.445 -1.388 1.00 0.00 H HETATM 76 HA2 B3S A 6 -1.975 7.592 0.208 1.00 0.00 H ATOM 77 N GLY A 7 -0.339 4.884 -0.834 1.00 0.00 N ATOM 78 CA GLY A 7 0.652 3.910 -0.407 1.00 0.00 C ATOM 79 C GLY A 7 2.069 4.401 -0.710 1.00 0.00 C ATOM 80 O GLY A 7 2.735 3.874 -1.600 1.00 0.00 O ATOM 81 H GLY A 7 -0.691 4.749 -1.760 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.549 3.727 0.663 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.476 2.961 -0.912 1.00 0.00 H ATOM 84 N LYS A 8 2.487 5.405 0.046 1.00 0.00 N ATOM 85 CA LYS A 8 3.813 5.973 -0.131 1.00 0.00 C ATOM 86 C LYS A 8 4.840 5.096 0.590 1.00 0.00 C ATOM 87 O LYS A 8 5.574 5.576 1.453 1.00 0.00 O ATOM 88 CB LYS A 8 3.833 7.436 0.316 1.00 0.00 C ATOM 89 CG LYS A 8 4.001 8.373 -0.883 1.00 0.00 C ATOM 90 CD LYS A 8 5.435 8.333 -1.413 1.00 0.00 C ATOM 91 CE LYS A 8 5.549 9.083 -2.742 1.00 0.00 C ATOM 92 NZ LYS A 8 6.422 10.269 -2.595 1.00 0.00 N ATOM 93 H LYS A 8 1.940 5.828 0.767 1.00 0.00 H ATOM 94 HA LYS A 8 4.035 5.959 -1.198 1.00 0.00 H ATOM 95 HB3 LYS A 8 4.649 7.594 1.022 1.00 0.00 H ATOM 96 HG3 LYS A 8 3.745 9.391 -0.591 1.00 0.00 H ATOM 97 HD3 LYS A 8 5.749 7.298 -1.548 1.00 0.00 H ATOM 98 HE3 LYS A 8 4.560 9.392 -3.078 1.00 0.00 H ATOM 99 HZ1 LYS A 8 6.571 10.512 -1.621 1.00 0.00 H ATOM 100 HZ2 LYS A 8 7.338 10.121 -3.004 1.00 0.00 H ATOM 101 N LEU A 9 4.857 3.827 0.210 1.00 0.00 N ATOM 102 CA LEU A 9 5.781 2.879 0.809 1.00 0.00 C ATOM 103 C LEU A 9 5.830 1.611 -0.047 1.00 0.00 C ATOM 104 O LEU A 9 6.903 1.061 -0.285 1.00 0.00 O ATOM 105 CB LEU A 9 5.410 2.621 2.270 1.00 0.00 C ATOM 106 CG LEU A 9 6.051 1.392 2.918 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.568 1.561 3.031 1.00 0.00 C ATOM 108 CD2 LEU A 9 5.407 1.085 4.271 1.00 0.00 C ATOM 109 H LEU A 9 4.256 3.445 -0.493 1.00 0.00 H ATOM 110 HA LEU A 9 6.769 3.338 0.803 1.00 0.00 H ATOM 111 HB3 LEU A 9 4.327 2.519 2.338 1.00 0.00 H ATOM 112 HG LEU A 9 5.871 0.533 2.273 1.00 0.00 H ATOM 113 HD11 LEU A 9 8.051 0.590 2.916 1.00 0.00 H ATOM 114 HD12 LEU A 9 7.918 2.235 2.250 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.815 1.976 4.008 1.00 0.00 H ATOM 116 HD21 LEU A 9 5.312 0.005 4.392 1.00 0.00 H ATOM 117 HD22 LEU A 9 6.029 1.488 5.070 1.00 0.00 H ATOM 118 HD23 LEU A 9 4.418 1.544 4.315 1.00 0.00 H ATOM 119 N ILE A 10 4.654 1.186 -0.485 1.00 0.00 N ATOM 120 CA ILE A 10 4.550 -0.007 -1.309 1.00 0.00 C ATOM 121 C ILE A 10 3.169 -0.048 -1.965 1.00 0.00 C ATOM 122 O ILE A 10 2.155 -0.171 -1.280 1.00 0.00 O ATOM 123 CB ILE A 10 4.878 -1.256 -0.488 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.680 -2.261 -1.316 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.608 -1.877 0.097 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.966 -1.628 -1.853 1.00 0.00 C ATOM 127 H ILE A 10 3.786 1.640 -0.286 1.00 0.00 H ATOM 128 HA ILE A 10 5.304 0.071 -2.093 1.00 0.00 H ATOM 129 HB ILE A 10 5.506 -0.956 0.352 1.00 0.00 H ATOM 130 HG13 ILE A 10 5.073 -2.619 -2.147 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.111 -1.151 0.740 1.00 0.00 H ATOM 132 HG22 ILE A 10 2.938 -2.163 -0.714 1.00 0.00 H ATOM 133 HG23 ILE A 10 3.871 -2.760 0.679 1.00 0.00 H ATOM 134 HD11 ILE A 10 7.352 -0.915 -1.124 1.00 0.00 H ATOM 135 HD12 ILE A 10 7.707 -2.406 -2.029 1.00 0.00 H ATOM 136 HD13 ILE A 10 6.752 -1.111 -2.789 1.00 0.00 H ATOM 137 N CYS A 11 3.173 0.057 -3.286 1.00 0.00 N ATOM 138 CA CYS A 11 1.934 0.034 -4.043 1.00 0.00 C ATOM 139 C CYS A 11 1.653 -1.411 -4.460 1.00 0.00 C ATOM 140 O CYS A 11 0.961 -1.653 -5.447 1.00 0.00 O ATOM 141 CB CYS A 11 1.988 0.975 -5.248 1.00 0.00 C ATOM 142 SG CYS A 11 1.877 2.755 -4.837 1.00 0.00 S ATOM 143 H CYS A 11 4.003 0.158 -3.837 1.00 0.00 H ATOM 144 HA CYS A 11 1.153 0.403 -3.378 1.00 0.00 H ATOM 145 HB3 CYS A 11 1.174 0.721 -5.926 1.00 0.00 H ATOM 146 N THR A 12 2.205 -2.335 -3.686 1.00 0.00 N ATOM 147 CA THR A 12 2.023 -3.749 -3.963 1.00 0.00 C ATOM 148 C THR A 12 2.432 -4.587 -2.750 1.00 0.00 C ATOM 149 O THR A 12 3.201 -4.129 -1.906 1.00 0.00 O ATOM 150 CB THR A 12 2.810 -4.089 -5.230 1.00 0.00 C ATOM 151 OG1 THR A 12 2.004 -5.059 -5.891 1.00 0.00 O ATOM 152 CG2 THR A 12 4.113 -4.832 -4.928 1.00 0.00 C ATOM 153 H THR A 12 2.766 -2.130 -2.885 1.00 0.00 H ATOM 154 HA THR A 12 0.962 -3.932 -4.134 1.00 0.00 H ATOM 155 HB THR A 12 3.001 -3.193 -5.821 1.00 0.00 H ATOM 156 HG1 THR A 12 1.695 -5.750 -5.238 1.00 0.00 H ATOM 157 HG21 THR A 12 4.798 -4.166 -4.402 1.00 0.00 H ATOM 158 HG22 THR A 12 3.901 -5.699 -4.303 1.00 0.00 H ATOM 159 HG23 THR A 12 4.570 -5.159 -5.862 1.00 0.00 H ATOM 160 N THR A 13 1.900 -5.800 -2.701 1.00 0.00 N ATOM 161 CA THR A 13 2.202 -6.705 -1.606 1.00 0.00 C ATOM 162 C THR A 13 1.850 -8.144 -1.991 1.00 0.00 C ATOM 163 O THR A 13 2.706 -8.891 -2.461 1.00 0.00 O ATOM 164 CB THR A 13 1.457 -6.209 -0.364 1.00 0.00 C ATOM 165 OG1 THR A 13 0.238 -5.680 -0.879 1.00 0.00 O ATOM 166 CG2 THR A 13 2.141 -5.005 0.286 1.00 0.00 C ATOM 167 H THR A 13 1.276 -6.164 -3.392 1.00 0.00 H ATOM 168 HA THR A 13 3.276 -6.677 -1.421 1.00 0.00 H ATOM 169 HB THR A 13 1.320 -7.016 0.356 1.00 0.00 H ATOM 170 HG1 THR A 13 -0.380 -5.451 -0.127 1.00 0.00 H ATOM 171 HG21 THR A 13 1.882 -4.968 1.344 1.00 0.00 H ATOM 172 HG22 THR A 13 3.221 -5.100 0.181 1.00 0.00 H ATOM 173 HG23 THR A 13 1.807 -4.089 -0.202 1.00 0.00 H ATOM 174 N ALA A 14 0.588 -8.487 -1.778 1.00 0.00 N ATOM 175 CA ALA A 14 0.113 -9.823 -2.097 1.00 0.00 C ATOM 176 C ALA A 14 -1.311 -9.734 -2.651 1.00 0.00 C ATOM 177 O ALA A 14 -1.679 -10.488 -3.551 1.00 0.00 O ATOM 178 CB ALA A 14 0.198 -10.707 -0.851 1.00 0.00 C ATOM 179 H ALA A 14 -0.102 -7.873 -1.395 1.00 0.00 H ATOM 180 HA ALA A 14 0.767 -10.234 -2.865 1.00 0.00 H ATOM 181 HB1 ALA A 14 -0.552 -10.388 -0.127 1.00 0.00 H ATOM 182 HB2 ALA A 14 0.016 -11.745 -1.129 1.00 0.00 H ATOM 183 HB3 ALA A 14 1.191 -10.618 -0.410 1.00 0.00 H TER 184 ALA A 14