HETATM 1 C ACE A 1 -3.667 -9.163 -0.890 1.00 0.00 C HETATM 2 O ACE A 1 -4.538 -9.124 -0.018 1.00 0.00 O HETATM 3 CH3 ACE A 1 -3.720 -10.216 -1.992 1.00 0.00 C HETATM 4 H1 ACE A 1 -2.804 -10.834 -2.010 1.00 0.00 H HETATM 5 H2 ACE A 1 -4.575 -10.901 -1.846 1.00 0.00 H HETATM 6 H3 ACE A 1 -3.841 -9.751 -2.988 1.00 0.00 H ATOM 7 N ILE A 2 -2.641 -8.305 -0.964 1.00 0.00 N ATOM 8 CA ILE A 2 -2.419 -7.204 0.023 1.00 0.00 C ATOM 9 C ILE A 2 -3.085 -5.878 -0.466 1.00 0.00 C ATOM 10 O ILE A 2 -2.424 -4.963 -0.962 1.00 0.00 O ATOM 11 CB ILE A 2 -0.903 -7.054 0.430 1.00 0.00 C ATOM 12 CG1 ILE A 2 0.203 -7.197 -0.666 1.00 0.00 C ATOM 13 CG2 ILE A 2 -0.549 -8.016 1.591 1.00 0.00 C ATOM 14 CD1 ILE A 2 0.170 -6.192 -1.824 1.00 0.00 C ATOM 15 H ILE A 2 -2.014 -8.452 -1.761 1.00 0.00 H ATOM 16 HA ILE A 2 -2.952 -7.458 0.964 1.00 0.00 H ATOM 17 HB ILE A 2 -0.798 -6.038 0.851 1.00 0.00 H ATOM 18 HG12 ILE A 2 1.199 -7.104 -0.192 1.00 0.00 H ATOM 19 HG13 ILE A 2 0.187 -8.221 -1.085 1.00 0.00 H ATOM 20 HG21 ILE A 2 -0.625 -9.077 1.287 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.479 -7.855 1.966 1.00 0.00 H ATOM 22 HG23 ILE A 2 -1.219 -7.877 2.459 1.00 0.00 H ATOM 23 HD11 ILE A 2 0.228 -5.148 -1.463 1.00 0.00 H ATOM 24 HD12 ILE A 2 1.023 -6.351 -2.507 1.00 0.00 H ATOM 25 HD13 ILE A 2 -0.749 -6.291 -2.431 1.00 0.00 H ATOM 26 N TRP A 3 -4.412 -5.762 -0.268 1.00 0.00 N ATOM 27 CA TRP A 3 -5.202 -4.576 -0.690 1.00 0.00 C ATOM 28 C TRP A 3 -5.145 -3.486 0.418 1.00 0.00 C ATOM 29 O TRP A 3 -5.902 -3.502 1.392 1.00 0.00 O ATOM 30 CB TRP A 3 -6.643 -5.008 -1.082 1.00 0.00 C ATOM 31 CG TRP A 3 -6.786 -5.683 -2.464 1.00 0.00 C ATOM 32 CD1 TRP A 3 -5.992 -6.735 -2.986 1.00 0.00 C ATOM 33 CD2 TRP A 3 -7.695 -5.385 -3.469 1.00 0.00 C ATOM 34 NE1 TRP A 3 -6.380 -7.095 -4.287 1.00 0.00 N ATOM 35 CE2 TRP A 3 -7.437 -6.246 -4.567 1.00 0.00 C ATOM 36 CE3 TRP A 3 -8.729 -4.414 -3.548 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -8.208 -6.141 -5.749 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -9.477 -4.331 -4.723 1.00 0.00 C ATOM 39 CH2 TRP A 3 -9.221 -5.182 -5.806 1.00 0.00 C ATOM 40 H TRP A 3 -4.873 -6.631 0.003 1.00 0.00 H ATOM 41 HA TRP A 3 -4.751 -4.180 -1.618 1.00 0.00 H ATOM 42 HB2 TRP A 3 -7.080 -5.664 -0.305 1.00 0.00 H ATOM 43 HB3 TRP A 3 -7.289 -4.111 -1.069 1.00 0.00 H ATOM 44 HD1 TRP A 3 -5.154 -7.183 -2.467 1.00 0.00 H ATOM 45 HE1 TRP A 3 -5.967 -7.809 -4.898 1.00 0.00 H ATOM 46 HE3 TRP A 3 -8.936 -3.746 -2.724 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -8.018 -6.787 -6.594 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -10.266 -3.598 -4.799 1.00 0.00 H ATOM 49 HH2 TRP A 3 -9.816 -5.091 -6.703 1.00 0.00 H ATOM 50 N GLY A 4 -4.209 -2.548 0.224 1.00 0.00 N ATOM 51 CA GLY A 4 -3.954 -1.433 1.160 1.00 0.00 C ATOM 52 C GLY A 4 -2.492 -0.985 0.978 1.00 0.00 C ATOM 53 O GLY A 4 -2.232 0.000 0.280 1.00 0.00 O ATOM 54 H GLY A 4 -3.629 -2.696 -0.609 1.00 0.00 H ATOM 55 HA2 GLY A 4 -4.638 -0.593 0.937 1.00 0.00 H ATOM 56 HA3 GLY A 4 -4.148 -1.722 2.212 1.00 0.00 H HETATM 57 N BCX A 5 -1.558 -1.727 1.601 1.00 0.00 N HETATM 58 CC BCX A 5 0.595 -2.628 0.822 1.00 0.00 C HETATM 59 CA BCX A 5 -0.107 -1.446 1.506 1.00 0.00 C HETATM 60 C BCX A 5 2.032 -2.317 0.347 1.00 0.00 C HETATM 61 O BCX A 5 2.282 -1.324 -0.336 1.00 0.00 O HETATM 62 CB BCX A 5 0.463 -1.127 2.905 1.00 0.00 C HETATM 63 SG BCX A 5 -0.425 0.208 3.712 1.00 0.00 S HETATM 64 H BCX A 5 -1.924 -2.520 2.138 1.00 0.00 H HETATM 65 HC1 BCX A 5 0.021 -2.904 -0.088 1.00 0.00 H HETATM 66 HC2 BCX A 5 0.534 -3.525 1.469 1.00 0.00 H HETATM 67 HA BCX A 5 0.101 -0.600 0.838 1.00 0.00 H HETATM 68 HB2 BCX A 5 0.440 -2.000 3.579 1.00 0.00 H HETATM 69 HB3 BCX A 5 1.521 -0.810 2.832 1.00 0.00 H ATOM 70 N SER A 6 2.917 -3.286 0.574 1.00 0.00 N ATOM 71 CA SER A 6 4.108 -3.495 -0.298 1.00 0.00 C ATOM 72 C SER A 6 3.658 -4.216 -1.605 1.00 0.00 C ATOM 73 O SER A 6 3.650 -5.448 -1.700 1.00 0.00 O ATOM 74 CB SER A 6 5.204 -4.230 0.507 1.00 0.00 C ATOM 75 OG SER A 6 6.388 -4.384 -0.269 1.00 0.00 O ATOM 76 H SER A 6 2.435 -4.051 1.047 1.00 0.00 H ATOM 77 HA SER A 6 4.548 -2.508 -0.556 1.00 0.00 H ATOM 78 HB2 SER A 6 5.457 -3.666 1.427 1.00 0.00 H ATOM 79 HB3 SER A 6 4.859 -5.225 0.846 1.00 0.00 H ATOM 80 HG SER A 6 6.699 -3.498 -0.473 1.00 0.00 H ATOM 81 N GLY A 7 3.271 -3.395 -2.594 1.00 0.00 N ATOM 82 CA GLY A 7 2.742 -3.875 -3.893 1.00 0.00 C ATOM 83 C GLY A 7 1.591 -2.971 -4.393 1.00 0.00 C ATOM 84 O GLY A 7 1.622 -2.525 -5.543 1.00 0.00 O ATOM 85 H GLY A 7 3.197 -2.403 -2.323 1.00 0.00 H ATOM 86 HA2 GLY A 7 3.561 -3.882 -4.637 1.00 0.00 H ATOM 87 HA3 GLY A 7 2.378 -4.919 -3.839 1.00 0.00 H ATOM 88 N LYS A 8 0.574 -2.720 -3.538 1.00 0.00 N ATOM 89 CA LYS A 8 -0.581 -1.843 -3.859 1.00 0.00 C ATOM 90 C LYS A 8 -0.146 -0.341 -3.882 1.00 0.00 C ATOM 91 O LYS A 8 -0.189 0.297 -4.937 1.00 0.00 O ATOM 92 CB LYS A 8 -1.720 -2.147 -2.835 1.00 0.00 C ATOM 93 CG LYS A 8 -3.134 -1.684 -3.255 1.00 0.00 C ATOM 94 CD LYS A 8 -3.803 -2.589 -4.311 1.00 0.00 C ATOM 95 CE LYS A 8 -5.257 -2.181 -4.607 1.00 0.00 C ATOM 96 NZ LYS A 8 -5.840 -3.037 -5.656 1.00 0.00 N ATOM 97 H LYS A 8 0.727 -3.054 -2.581 1.00 0.00 H ATOM 98 HA LYS A 8 -0.942 -2.113 -4.871 1.00 0.00 H ATOM 99 HB2 LYS A 8 -1.764 -3.227 -2.604 1.00 0.00 H ATOM 100 HB3 LYS A 8 -1.475 -1.692 -1.853 1.00 0.00 H ATOM 101 HG2 LYS A 8 -3.774 -1.658 -2.355 1.00 0.00 H ATOM 102 HG3 LYS A 8 -3.101 -0.636 -3.610 1.00 0.00 H ATOM 103 HD2 LYS A 8 -3.210 -2.565 -5.246 1.00 0.00 H ATOM 104 HD3 LYS A 8 -3.779 -3.641 -3.965 1.00 0.00 H ATOM 105 HE2 LYS A 8 -5.873 -2.256 -3.691 1.00 0.00 H ATOM 106 HE3 LYS A 8 -5.304 -1.125 -4.931 1.00 0.00 H ATOM 107 HZ1 LYS A 8 -5.850 -4.016 -5.352 1.00 0.00 H ATOM 108 HZ2 LYS A 8 -6.824 -2.789 -5.813 1.00 0.00 H ATOM 109 N LEU A 9 0.288 0.196 -2.723 1.00 0.00 N ATOM 110 CA LEU A 9 0.739 1.592 -2.560 1.00 0.00 C ATOM 111 C LEU A 9 1.644 1.551 -1.299 1.00 0.00 C ATOM 112 O LEU A 9 1.128 1.386 -0.187 1.00 0.00 O ATOM 113 CB LEU A 9 -0.517 2.482 -2.376 1.00 0.00 C ATOM 114 CG LEU A 9 -0.287 4.008 -2.198 1.00 0.00 C ATOM 115 CD1 LEU A 9 0.316 4.676 -3.451 1.00 0.00 C ATOM 116 CD2 LEU A 9 -1.604 4.707 -1.813 1.00 0.00 C ATOM 117 H LEU A 9 0.147 -0.380 -1.890 1.00 0.00 H ATOM 118 HA LEU A 9 1.293 1.917 -3.463 1.00 0.00 H ATOM 119 HB2 LEU A 9 -1.183 2.306 -3.241 1.00 0.00 H ATOM 120 HB3 LEU A 9 -1.072 2.082 -1.503 1.00 0.00 H ATOM 121 HG LEU A 9 0.420 4.160 -1.359 1.00 0.00 H ATOM 122 HD11 LEU A 9 0.461 5.762 -3.305 1.00 0.00 H ATOM 123 HD12 LEU A 9 1.307 4.258 -3.702 1.00 0.00 H ATOM 124 HD13 LEU A 9 -0.330 4.548 -4.340 1.00 0.00 H ATOM 125 HD21 LEU A 9 -2.031 4.287 -0.883 1.00 0.00 H ATOM 126 HD22 LEU A 9 -1.457 5.788 -1.633 1.00 0.00 H ATOM 127 HD23 LEU A 9 -2.375 4.608 -2.601 1.00 0.00 H ATOM 128 N ILE A 10 2.977 1.701 -1.458 1.00 0.00 N ATOM 129 CA ILE A 10 3.957 1.653 -0.318 1.00 0.00 C ATOM 130 C ILE A 10 3.605 2.690 0.805 1.00 0.00 C ATOM 131 O ILE A 10 3.725 3.902 0.597 1.00 0.00 O ATOM 132 CB ILE A 10 5.451 1.678 -0.822 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.510 1.387 0.280 1.00 0.00 C ATOM 134 CG2 ILE A 10 5.849 2.972 -1.577 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.494 -0.044 0.847 1.00 0.00 C ATOM 136 H ILE A 10 3.256 1.864 -2.429 1.00 0.00 H ATOM 137 HA ILE A 10 3.834 0.639 0.112 1.00 0.00 H ATOM 138 HB ILE A 10 5.577 0.852 -1.550 1.00 0.00 H ATOM 139 HG12 ILE A 10 7.526 1.558 -0.124 1.00 0.00 H ATOM 140 HG13 ILE A 10 6.408 2.117 1.104 1.00 0.00 H ATOM 141 HG21 ILE A 10 5.159 3.192 -2.412 1.00 0.00 H ATOM 142 HG22 ILE A 10 5.852 3.859 -0.916 1.00 0.00 H ATOM 143 HG23 ILE A 10 6.859 2.895 -2.020 1.00 0.00 H ATOM 144 HD11 ILE A 10 6.623 -0.802 0.051 1.00 0.00 H ATOM 145 HD12 ILE A 10 7.318 -0.195 1.569 1.00 0.00 H ATOM 146 HD13 ILE A 10 5.553 -0.275 1.377 1.00 0.00 H ATOM 147 N CYS A 11 3.139 2.184 1.968 1.00 0.00 N ATOM 148 CA CYS A 11 2.715 3.034 3.112 1.00 0.00 C ATOM 149 C CYS A 11 3.707 3.043 4.315 1.00 0.00 C ATOM 150 O CYS A 11 3.373 2.617 5.425 1.00 0.00 O ATOM 151 CB CYS A 11 1.227 2.797 3.465 1.00 0.00 C ATOM 152 SG CYS A 11 0.937 1.393 4.551 1.00 0.00 S ATOM 153 H CYS A 11 3.252 1.173 2.045 1.00 0.00 H ATOM 154 HA CYS A 11 2.656 4.059 2.745 1.00 0.00 H ATOM 155 HB2 CYS A 11 0.825 3.688 3.983 1.00 0.00 H ATOM 156 HB3 CYS A 11 0.607 2.690 2.554 1.00 0.00 H ATOM 157 N THR A 12 4.928 3.572 4.095 1.00 0.00 N ATOM 158 CA THR A 12 5.981 3.665 5.141 1.00 0.00 C ATOM 159 C THR A 12 5.829 5.018 5.896 1.00 0.00 C ATOM 160 O THR A 12 6.213 6.076 5.385 1.00 0.00 O ATOM 161 CB THR A 12 7.419 3.493 4.570 1.00 0.00 C ATOM 162 OG1 THR A 12 7.661 4.434 3.528 1.00 0.00 O ATOM 163 CG2 THR A 12 7.741 2.079 4.059 1.00 0.00 C ATOM 164 H THR A 12 5.151 3.760 3.117 1.00 0.00 H ATOM 165 HA THR A 12 5.837 2.827 5.843 1.00 0.00 H ATOM 166 HB THR A 12 8.141 3.702 5.384 1.00 0.00 H ATOM 167 HG1 THR A 12 7.310 5.268 3.861 1.00 0.00 H ATOM 168 HG21 THR A 12 7.047 1.763 3.261 1.00 0.00 H ATOM 169 HG22 THR A 12 8.765 2.022 3.647 1.00 0.00 H ATOM 170 HG23 THR A 12 7.672 1.330 4.867 1.00 0.00 H ATOM 171 N THR A 13 5.254 4.962 7.108 1.00 0.00 N ATOM 172 CA THR A 13 5.018 6.155 7.959 1.00 0.00 C ATOM 173 C THR A 13 5.346 5.746 9.423 1.00 0.00 C ATOM 174 O THR A 13 4.551 5.079 10.096 1.00 0.00 O ATOM 175 CB THR A 13 3.568 6.708 7.807 1.00 0.00 C ATOM 176 OG1 THR A 13 2.600 5.664 7.856 1.00 0.00 O ATOM 177 CG2 THR A 13 3.326 7.515 6.521 1.00 0.00 C ATOM 178 H THR A 13 4.942 4.039 7.416 1.00 0.00 H ATOM 179 HA THR A 13 5.706 6.977 7.667 1.00 0.00 H ATOM 180 HB THR A 13 3.382 7.384 8.658 1.00 0.00 H ATOM 181 HG1 THR A 13 2.823 5.079 7.126 1.00 0.00 H ATOM 182 HG21 THR A 13 3.451 6.895 5.614 1.00 0.00 H ATOM 183 HG22 THR A 13 2.301 7.929 6.494 1.00 0.00 H ATOM 184 HG23 THR A 13 4.024 8.368 6.436 1.00 0.00 H ATOM 185 N ALA A 14 6.539 6.150 9.894 1.00 0.00 N ATOM 186 CA ALA A 14 7.019 5.851 11.264 1.00 0.00 C ATOM 187 C ALA A 14 7.780 7.077 11.809 1.00 0.00 C ATOM 188 O ALA A 14 8.862 7.471 11.371 1.00 0.00 O ATOM 189 CB ALA A 14 7.904 4.588 11.253 1.00 0.00 C ATOM 190 OXT ALA A 14 7.111 7.687 12.839 1.00 0.00 O ATOM 191 H ALA A 14 7.108 6.650 9.202 1.00 0.00 H ATOM 192 HA ALA A 14 6.163 5.651 11.938 1.00 0.00 H ATOM 193 HB1 ALA A 14 8.793 4.702 10.604 1.00 0.00 H ATOM 194 HB2 ALA A 14 8.269 4.339 12.266 1.00 0.00 H ATOM 195 HB3 ALA A 14 7.346 3.705 10.890 1.00 0.00 H ATOM 196 HXT ALA A 14 7.596 8.449 13.163 1.00 0.00 H TER 197 ALA A 14