HETATM 1 C ACE A 1 -2.759 -9.681 -2.202 1.00 0.00 C HETATM 2 O ACE A 1 -2.573 -10.010 -1.028 1.00 0.00 O HETATM 3 CH3 ACE A 1 -3.308 -10.687 -3.208 1.00 0.00 C HETATM 4 H1 ACE A 1 -2.603 -10.854 -4.043 1.00 0.00 H HETATM 5 H2 ACE A 1 -3.489 -11.668 -2.731 1.00 0.00 H HETATM 6 H3 ACE A 1 -4.271 -10.348 -3.635 1.00 0.00 H ATOM 7 N ILE A 2 -2.498 -8.463 -2.696 1.00 0.00 N ATOM 8 CA ILE A 2 -1.966 -7.341 -1.874 1.00 0.00 C ATOM 9 C ILE A 2 -3.025 -6.209 -2.035 1.00 0.00 C ATOM 10 O ILE A 2 -3.141 -5.579 -3.091 1.00 0.00 O ATOM 11 CB ILE A 2 -0.529 -6.879 -2.292 1.00 0.00 C ATOM 12 CG1 ILE A 2 0.555 -7.996 -2.400 1.00 0.00 C ATOM 13 CG2 ILE A 2 0.000 -5.722 -1.404 1.00 0.00 C ATOM 14 CD1 ILE A 2 0.902 -8.765 -1.113 1.00 0.00 C ATOM 15 H ILE A 2 -2.846 -8.303 -3.644 1.00 0.00 H ATOM 16 HA ILE A 2 -1.900 -7.646 -0.808 1.00 0.00 H ATOM 17 HB ILE A 2 -0.636 -6.459 -3.308 1.00 0.00 H ATOM 18 HG12 ILE A 2 0.244 -8.727 -3.168 1.00 0.00 H ATOM 19 HG13 ILE A 2 1.487 -7.559 -2.807 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.989 -5.366 -1.739 1.00 0.00 H ATOM 21 HG22 ILE A 2 -0.670 -4.844 -1.429 1.00 0.00 H ATOM 22 HG23 ILE A 2 0.100 -6.020 -0.344 1.00 0.00 H ATOM 23 HD11 ILE A 2 0.017 -9.269 -0.681 1.00 0.00 H ATOM 24 HD12 ILE A 2 1.656 -9.548 -1.310 1.00 0.00 H ATOM 25 HD13 ILE A 2 1.321 -8.102 -0.335 1.00 0.00 H ATOM 26 N TRP A 3 -3.779 -5.980 -0.955 1.00 0.00 N ATOM 27 CA TRP A 3 -4.852 -4.961 -0.885 1.00 0.00 C ATOM 28 C TRP A 3 -4.578 -4.055 0.346 1.00 0.00 C ATOM 29 O TRP A 3 -4.579 -4.519 1.492 1.00 0.00 O ATOM 30 CB TRP A 3 -6.253 -5.630 -0.839 1.00 0.00 C ATOM 31 CG TRP A 3 -6.696 -6.249 -2.174 1.00 0.00 C ATOM 32 CD1 TRP A 3 -6.360 -7.539 -2.645 1.00 0.00 C ATOM 33 CD2 TRP A 3 -7.426 -5.663 -3.193 1.00 0.00 C ATOM 34 NE1 TRP A 3 -6.869 -7.775 -3.935 1.00 0.00 N ATOM 35 CE2 TRP A 3 -7.525 -6.597 -4.256 1.00 0.00 C ATOM 36 CE3 TRP A 3 -8.006 -4.373 -3.313 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -8.209 -6.248 -5.445 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -8.682 -4.057 -4.493 1.00 0.00 C ATOM 39 CH2 TRP A 3 -8.782 -4.978 -5.543 1.00 0.00 C ATOM 40 H TRP A 3 -3.606 -6.640 -0.206 1.00 0.00 H ATOM 41 HA TRP A 3 -4.809 -4.349 -1.798 1.00 0.00 H ATOM 42 HB2 TRP A 3 -6.294 -6.394 -0.038 1.00 0.00 H ATOM 43 HB3 TRP A 3 -7.009 -4.880 -0.538 1.00 0.00 H ATOM 44 HD1 TRP A 3 -5.734 -8.238 -2.108 1.00 0.00 H ATOM 45 HE1 TRP A 3 -6.756 -8.611 -4.518 1.00 0.00 H ATOM 46 HE3 TRP A 3 -7.928 -3.649 -2.516 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -8.288 -6.948 -6.265 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -9.130 -3.078 -4.600 1.00 0.00 H ATOM 49 HH2 TRP A 3 -9.306 -4.700 -6.445 1.00 0.00 H ATOM 50 N GLY A 4 -4.354 -2.757 0.083 1.00 0.00 N ATOM 51 CA GLY A 4 -4.047 -1.753 1.127 1.00 0.00 C ATOM 52 C GLY A 4 -2.618 -1.232 0.906 1.00 0.00 C ATOM 53 O GLY A 4 -2.428 -0.241 0.194 1.00 0.00 O ATOM 54 H GLY A 4 -4.352 -2.516 -0.914 1.00 0.00 H ATOM 55 HA2 GLY A 4 -4.759 -0.912 1.037 1.00 0.00 H ATOM 56 HA3 GLY A 4 -4.182 -2.141 2.157 1.00 0.00 H HETATM 57 N BCX A 5 -1.630 -1.914 1.515 1.00 0.00 N HETATM 58 CC BCX A 5 0.465 -2.607 0.473 1.00 0.00 C HETATM 59 CA BCX A 5 -0.199 -1.558 1.372 1.00 0.00 C HETATM 60 C BCX A 5 1.890 -2.240 0.034 1.00 0.00 C HETATM 61 O BCX A 5 2.110 -1.342 -0.776 1.00 0.00 O HETATM 62 CB BCX A 5 0.468 -1.435 2.768 1.00 0.00 C HETATM 63 SG BCX A 5 2.128 -0.745 2.684 1.00 0.00 S HETATM 64 H BCX A 5 -1.941 -2.739 2.040 1.00 0.00 H HETATM 65 HC1 BCX A 5 -0.124 -2.721 -0.455 1.00 0.00 H HETATM 66 HC2 BCX A 5 0.407 -3.607 0.951 1.00 0.00 H HETATM 67 HA BCX A 5 -0.089 -0.613 0.821 1.00 0.00 H HETATM 68 HB2 BCX A 5 -0.105 -0.763 3.427 1.00 0.00 H HETATM 69 HB3 BCX A 5 0.551 -2.414 3.274 1.00 0.00 H ATOM 70 N SER A 6 2.819 -3.076 0.486 1.00 0.00 N ATOM 71 CA SER A 6 4.048 -3.396 -0.296 1.00 0.00 C ATOM 72 C SER A 6 3.662 -4.216 -1.571 1.00 0.00 C ATOM 73 O SER A 6 3.705 -5.450 -1.600 1.00 0.00 O ATOM 74 CB SER A 6 5.047 -4.057 0.681 1.00 0.00 C ATOM 75 OG SER A 6 6.266 -4.384 0.022 1.00 0.00 O ATOM 76 H SER A 6 2.341 -3.750 1.093 1.00 0.00 H ATOM 77 HA SER A 6 4.527 -2.446 -0.612 1.00 0.00 H ATOM 78 HB2 SER A 6 5.270 -3.373 1.527 1.00 0.00 H ATOM 79 HB3 SER A 6 4.621 -4.967 1.145 1.00 0.00 H ATOM 80 HG SER A 6 6.639 -3.555 -0.290 1.00 0.00 H ATOM 81 N GLY A 7 3.265 -3.460 -2.609 1.00 0.00 N ATOM 82 CA GLY A 7 2.755 -4.004 -3.888 1.00 0.00 C ATOM 83 C GLY A 7 1.613 -3.101 -4.432 1.00 0.00 C ATOM 84 O GLY A 7 1.646 -2.727 -5.605 1.00 0.00 O ATOM 85 H GLY A 7 3.163 -2.455 -2.398 1.00 0.00 H ATOM 86 HA2 GLY A 7 3.581 -4.055 -4.622 1.00 0.00 H ATOM 87 HA3 GLY A 7 2.377 -5.039 -3.779 1.00 0.00 H ATOM 88 N LYS A 8 0.604 -2.771 -3.589 1.00 0.00 N ATOM 89 CA LYS A 8 -0.531 -1.884 -3.957 1.00 0.00 C ATOM 90 C LYS A 8 -0.070 -0.388 -3.993 1.00 0.00 C ATOM 91 O LYS A 8 -0.031 0.217 -5.067 1.00 0.00 O ATOM 92 CB LYS A 8 -1.712 -2.147 -2.966 1.00 0.00 C ATOM 93 CG LYS A 8 -3.090 -1.590 -3.391 1.00 0.00 C ATOM 94 CD LYS A 8 -3.749 -2.341 -4.567 1.00 0.00 C ATOM 95 CE LYS A 8 -5.167 -1.833 -4.877 1.00 0.00 C ATOM 96 NZ LYS A 8 -5.746 -2.561 -6.021 1.00 0.00 N ATOM 97 H LYS A 8 0.755 -3.046 -2.614 1.00 0.00 H ATOM 98 HA LYS A 8 -0.868 -2.165 -4.975 1.00 0.00 H ATOM 99 HB2 LYS A 8 -1.821 -3.226 -2.748 1.00 0.00 H ATOM 100 HB3 LYS A 8 -1.466 -1.714 -1.973 1.00 0.00 H ATOM 101 HG2 LYS A 8 -3.764 -1.637 -2.517 1.00 0.00 H ATOM 102 HG3 LYS A 8 -3.003 -0.513 -3.627 1.00 0.00 H ATOM 103 HD2 LYS A 8 -3.114 -2.245 -5.469 1.00 0.00 H ATOM 104 HD3 LYS A 8 -3.788 -3.422 -4.340 1.00 0.00 H ATOM 105 HE2 LYS A 8 -5.824 -1.960 -3.995 1.00 0.00 H ATOM 106 HE3 LYS A 8 -5.152 -0.751 -5.102 1.00 0.00 H ATOM 107 HZ1 LYS A 8 -6.676 -2.190 -6.248 1.00 0.00 H ATOM 108 HZ2 LYS A 8 -5.175 -2.415 -6.861 1.00 0.00 H ATOM 109 N LEU A 9 0.282 0.184 -2.823 1.00 0.00 N ATOM 110 CA LEU A 9 0.733 1.584 -2.669 1.00 0.00 C ATOM 111 C LEU A 9 1.548 1.589 -1.345 1.00 0.00 C ATOM 112 O LEU A 9 0.968 1.424 -0.265 1.00 0.00 O ATOM 113 CB LEU A 9 -0.528 2.482 -2.606 1.00 0.00 C ATOM 114 CG LEU A 9 -0.307 4.012 -2.459 1.00 0.00 C ATOM 115 CD1 LEU A 9 0.394 4.639 -3.680 1.00 0.00 C ATOM 116 CD2 LEU A 9 -1.649 4.723 -2.202 1.00 0.00 C ATOM 117 H LEU A 9 0.118 -0.384 -1.987 1.00 0.00 H ATOM 118 HA LEU A 9 1.353 1.877 -3.539 1.00 0.00 H ATOM 119 HB2 LEU A 9 -1.126 2.278 -3.513 1.00 0.00 H ATOM 120 HB3 LEU A 9 -1.146 2.107 -1.764 1.00 0.00 H ATOM 121 HG LEU A 9 0.331 4.191 -1.572 1.00 0.00 H ATOM 122 HD11 LEU A 9 1.402 4.214 -3.838 1.00 0.00 H ATOM 123 HD12 LEU A 9 -0.178 4.483 -4.614 1.00 0.00 H ATOM 124 HD13 LEU A 9 0.531 5.730 -3.558 1.00 0.00 H ATOM 125 HD21 LEU A 9 -2.149 4.334 -1.296 1.00 0.00 H ATOM 126 HD22 LEU A 9 -1.513 5.810 -2.046 1.00 0.00 H ATOM 127 HD23 LEU A 9 -2.355 4.599 -3.045 1.00 0.00 H ATOM 128 N ILE A 10 2.880 1.783 -1.422 1.00 0.00 N ATOM 129 CA ILE A 10 3.781 1.763 -0.227 1.00 0.00 C ATOM 130 C ILE A 10 3.357 2.699 0.957 1.00 0.00 C ATOM 131 O ILE A 10 3.133 3.901 0.790 1.00 0.00 O ATOM 132 CB ILE A 10 5.304 1.895 -0.608 1.00 0.00 C ATOM 133 CG1 ILE A 10 5.739 3.034 -1.584 1.00 0.00 C ATOM 134 CG2 ILE A 10 5.852 0.553 -1.157 1.00 0.00 C ATOM 135 CD1 ILE A 10 5.532 4.477 -1.103 1.00 0.00 C ATOM 136 H ILE A 10 3.256 1.827 -2.373 1.00 0.00 H ATOM 137 HA ILE A 10 3.673 0.727 0.159 1.00 0.00 H ATOM 138 HB ILE A 10 5.865 2.059 0.333 1.00 0.00 H ATOM 139 HG12 ILE A 10 6.819 2.928 -1.802 1.00 0.00 H ATOM 140 HG13 ILE A 10 5.242 2.910 -2.564 1.00 0.00 H ATOM 141 HG21 ILE A 10 5.370 0.265 -2.111 1.00 0.00 H ATOM 142 HG22 ILE A 10 6.943 0.593 -1.341 1.00 0.00 H ATOM 143 HG23 ILE A 10 5.689 -0.277 -0.446 1.00 0.00 H ATOM 144 HD11 ILE A 10 6.052 5.194 -1.765 1.00 0.00 H ATOM 145 HD12 ILE A 10 4.465 4.762 -1.111 1.00 0.00 H ATOM 146 HD13 ILE A 10 5.920 4.633 -0.079 1.00 0.00 H ATOM 147 N CYS A 11 3.229 2.099 2.156 1.00 0.00 N ATOM 148 CA CYS A 11 2.835 2.808 3.399 1.00 0.00 C ATOM 149 C CYS A 11 4.096 3.288 4.177 1.00 0.00 C ATOM 150 O CYS A 11 4.504 2.697 5.183 1.00 0.00 O ATOM 151 CB CYS A 11 1.886 1.906 4.219 1.00 0.00 C ATOM 152 SG CYS A 11 2.513 0.223 4.391 1.00 0.00 S ATOM 153 H CYS A 11 3.446 1.098 2.158 1.00 0.00 H ATOM 154 HA CYS A 11 2.211 3.684 3.145 1.00 0.00 H ATOM 155 HB2 CYS A 11 1.701 2.333 5.222 1.00 0.00 H ATOM 156 HB3 CYS A 11 0.895 1.849 3.730 1.00 0.00 H ATOM 157 N THR A 12 4.714 4.371 3.671 1.00 0.00 N ATOM 158 CA THR A 12 5.941 4.991 4.256 1.00 0.00 C ATOM 159 C THR A 12 6.124 6.503 3.923 1.00 0.00 C ATOM 160 O THR A 12 6.628 7.252 4.765 1.00 0.00 O ATOM 161 CB THR A 12 7.228 4.143 4.009 1.00 0.00 C ATOM 162 OG1 THR A 12 8.209 4.485 4.981 1.00 0.00 O ATOM 163 CG2 THR A 12 7.917 4.143 2.630 1.00 0.00 C ATOM 164 H THR A 12 4.253 4.770 2.852 1.00 0.00 H ATOM 165 HA THR A 12 5.765 4.977 5.344 1.00 0.00 H ATOM 166 HB THR A 12 6.929 3.103 4.177 1.00 0.00 H ATOM 167 HG1 THR A 12 8.432 5.405 4.820 1.00 0.00 H ATOM 168 HG21 THR A 12 8.336 5.130 2.368 1.00 0.00 H ATOM 169 HG22 THR A 12 8.767 3.430 2.618 1.00 0.00 H ATOM 170 HG23 THR A 12 7.234 3.827 1.822 1.00 0.00 H ATOM 171 N THR A 13 5.747 6.932 2.705 1.00 0.00 N ATOM 172 CA THR A 13 5.849 8.344 2.254 1.00 0.00 C ATOM 173 C THR A 13 4.431 8.979 2.341 1.00 0.00 C ATOM 174 O THR A 13 3.599 8.850 1.435 1.00 0.00 O ATOM 175 CB THR A 13 6.472 8.471 0.834 1.00 0.00 C ATOM 176 OG1 THR A 13 5.777 7.684 -0.130 1.00 0.00 O ATOM 177 CG2 THR A 13 7.968 8.122 0.753 1.00 0.00 C ATOM 178 H THR A 13 5.170 6.243 2.218 1.00 0.00 H ATOM 179 HA THR A 13 6.531 8.908 2.923 1.00 0.00 H ATOM 180 HB THR A 13 6.368 9.529 0.544 1.00 0.00 H ATOM 181 HG1 THR A 13 5.952 6.769 0.102 1.00 0.00 H ATOM 182 HG21 THR A 13 8.157 7.061 0.994 1.00 0.00 H ATOM 183 HG22 THR A 13 8.366 8.302 -0.261 1.00 0.00 H ATOM 184 HG23 THR A 13 8.569 8.733 1.452 1.00 0.00 H ATOM 185 N ALA A 14 4.180 9.668 3.463 1.00 0.00 N ATOM 186 CA ALA A 14 2.887 10.341 3.736 1.00 0.00 C ATOM 187 C ALA A 14 2.892 11.784 3.175 1.00 0.00 C ATOM 188 O ALA A 14 3.192 12.783 3.829 1.00 0.00 O ATOM 189 CB ALA A 14 2.617 10.281 5.252 1.00 0.00 C ATOM 190 OXT ALA A 14 2.535 11.817 1.850 1.00 0.00 O ATOM 191 H ALA A 14 4.948 9.614 4.139 1.00 0.00 H ATOM 192 HA ALA A 14 2.059 9.787 3.251 1.00 0.00 H ATOM 193 HB1 ALA A 14 1.647 10.747 5.506 1.00 0.00 H ATOM 194 HB2 ALA A 14 2.574 9.239 5.620 1.00 0.00 H ATOM 195 HB3 ALA A 14 3.393 10.807 5.840 1.00 0.00 H ATOM 196 HXT ALA A 14 2.378 10.937 1.500 1.00 0.00 H TER 197 ALA A 14