HETATM 1 C ACE A 1 -6.919 -3.796 3.504 1.00 0.00 C HETATM 2 O ACE A 1 -7.814 -4.178 2.746 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.402 -4.707 4.612 1.00 0.00 C HETATM 4 H1 ACE A 1 -5.331 -4.946 4.469 1.00 0.00 H HETATM 5 H2 ACE A 1 -6.521 -4.245 5.609 1.00 0.00 H HETATM 6 H3 ACE A 1 -6.951 -5.666 4.626 1.00 0.00 H ATOM 7 N ILE A 2 -6.324 -2.598 3.416 1.00 0.00 N ATOM 8 CA ILE A 2 -6.694 -1.571 2.395 1.00 0.00 C ATOM 9 C ILE A 2 -6.208 -1.973 0.963 1.00 0.00 C ATOM 10 O ILE A 2 -5.041 -2.316 0.756 1.00 0.00 O ATOM 11 CB ILE A 2 -6.265 -0.109 2.804 1.00 0.00 C ATOM 12 CG1 ILE A 2 -4.873 0.117 3.475 1.00 0.00 C ATOM 13 CG2 ILE A 2 -7.339 0.543 3.710 1.00 0.00 C ATOM 14 CD1 ILE A 2 -3.644 -0.370 2.699 1.00 0.00 C ATOM 15 H ILE A 2 -5.581 -2.435 4.104 1.00 0.00 H ATOM 16 HA ILE A 2 -7.805 -1.567 2.360 1.00 0.00 H ATOM 17 HB ILE A 2 -6.266 0.503 1.880 1.00 0.00 H ATOM 18 HG12 ILE A 2 -4.735 1.200 3.656 1.00 0.00 H ATOM 19 HG13 ILE A 2 -4.856 -0.343 4.481 1.00 0.00 H ATOM 20 HG21 ILE A 2 -7.108 1.603 3.932 1.00 0.00 H ATOM 21 HG22 ILE A 2 -8.337 0.537 3.234 1.00 0.00 H ATOM 22 HG23 ILE A 2 -7.437 0.019 4.679 1.00 0.00 H ATOM 23 HD11 ILE A 2 -3.646 -0.010 1.654 1.00 0.00 H ATOM 24 HD12 ILE A 2 -2.707 -0.014 3.166 1.00 0.00 H ATOM 25 HD13 ILE A 2 -3.589 -1.472 2.673 1.00 0.00 H ATOM 26 N TRP A 3 -7.132 -1.928 -0.015 1.00 0.00 N ATOM 27 CA TRP A 3 -6.847 -2.302 -1.428 1.00 0.00 C ATOM 28 C TRP A 3 -6.373 -1.105 -2.302 1.00 0.00 C ATOM 29 O TRP A 3 -6.604 0.073 -2.006 1.00 0.00 O ATOM 30 CB TRP A 3 -8.106 -2.983 -2.048 1.00 0.00 C ATOM 31 CG TRP A 3 -8.316 -4.433 -1.600 1.00 0.00 C ATOM 32 CD1 TRP A 3 -9.069 -4.832 -0.485 1.00 0.00 C ATOM 33 CD2 TRP A 3 -7.764 -5.592 -2.115 1.00 0.00 C ATOM 34 NE1 TRP A 3 -9.015 -6.225 -0.284 1.00 0.00 N ATOM 35 CE2 TRP A 3 -8.193 -6.676 -1.306 1.00 0.00 C ATOM 36 CE3 TRP A 3 -6.868 -5.810 -3.192 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -7.728 -7.986 -1.572 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -6.430 -7.112 -3.439 1.00 0.00 C ATOM 39 CH2 TRP A 3 -6.854 -8.183 -2.643 1.00 0.00 C ATOM 40 H TRP A 3 -8.065 -1.625 0.286 1.00 0.00 H ATOM 41 HA TRP A 3 -6.036 -3.060 -1.433 1.00 0.00 H ATOM 42 HB2 TRP A 3 -9.015 -2.382 -1.849 1.00 0.00 H ATOM 43 HB3 TRP A 3 -8.034 -2.994 -3.152 1.00 0.00 H ATOM 44 HD1 TRP A 3 -9.558 -4.130 0.169 1.00 0.00 H ATOM 45 HE1 TRP A 3 -9.435 -6.771 0.476 1.00 0.00 H ATOM 46 HE3 TRP A 3 -6.518 -4.989 -3.802 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -8.036 -8.817 -0.954 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -5.745 -7.295 -4.254 1.00 0.00 H ATOM 49 HH2 TRP A 3 -6.491 -9.178 -2.854 1.00 0.00 H ATOM 50 N GLY A 4 -5.705 -1.467 -3.409 1.00 0.00 N ATOM 51 CA GLY A 4 -5.170 -0.496 -4.391 1.00 0.00 C ATOM 52 C GLY A 4 -3.761 0.033 -4.052 1.00 0.00 C ATOM 53 O GLY A 4 -2.896 -0.722 -3.595 1.00 0.00 O ATOM 54 H GLY A 4 -5.648 -2.486 -3.523 1.00 0.00 H ATOM 55 HA2 GLY A 4 -5.112 -0.996 -5.374 1.00 0.00 H ATOM 56 HA3 GLY A 4 -5.893 0.332 -4.537 1.00 0.00 H HETATM 57 N SET A 5 -3.544 1.334 -4.321 1.00 0.00 N HETATM 58 CA SET A 5 -2.245 2.007 -4.048 1.00 0.00 C HETATM 59 CB SET A 5 -2.457 2.992 -2.866 1.00 0.00 C HETATM 60 OG SET A 5 -2.950 4.109 -3.056 1.00 0.00 O HETATM 61 NT SET A 5 -0.183 2.709 -5.298 1.00 0.00 N HETATM 62 C SET A 5 -1.666 2.663 -5.340 1.00 0.00 C HETATM 63 H SET A 5 -4.357 1.844 -4.683 1.00 0.00 H HETATM 64 HA SET A 5 -1.515 1.241 -3.731 1.00 0.00 H HETATM 65 HB2 SET A 5 -2.004 2.121 -6.247 1.00 0.00 H HETATM 66 HB3 SET A 5 -2.062 3.687 -5.479 1.00 0.00 H HETATM 67 HNT2 SET A 5 0.317 3.327 -4.648 1.00 0.00 H ATOM 68 N SER A 6 -2.101 2.554 -1.642 1.00 0.00 N ATOM 69 CA SER A 6 -2.264 3.365 -0.409 1.00 0.00 C ATOM 70 C SER A 6 -1.365 2.754 0.696 1.00 0.00 C ATOM 71 O SER A 6 -1.600 1.632 1.157 1.00 0.00 O ATOM 72 CB SER A 6 -3.747 3.469 0.044 1.00 0.00 C ATOM 73 OG SER A 6 -4.350 2.193 0.254 1.00 0.00 O ATOM 74 H SER A 6 -1.582 1.668 -1.621 1.00 0.00 H ATOM 75 HA SER A 6 -1.927 4.400 -0.626 1.00 0.00 H ATOM 76 HB2 SER A 6 -3.824 4.067 0.972 1.00 0.00 H ATOM 77 HB3 SER A 6 -4.336 4.023 -0.710 1.00 0.00 H ATOM 78 HG SER A 6 -5.276 2.358 0.450 1.00 0.00 H ATOM 79 N GLY A 7 -0.330 3.496 1.114 1.00 0.00 N ATOM 80 CA GLY A 7 0.595 3.025 2.165 1.00 0.00 C ATOM 81 C GLY A 7 1.626 4.108 2.506 1.00 0.00 C ATOM 82 O GLY A 7 1.292 5.070 3.204 1.00 0.00 O ATOM 83 H GLY A 7 -0.236 4.414 0.666 1.00 0.00 H ATOM 84 HA2 GLY A 7 0.025 2.779 3.083 1.00 0.00 H ATOM 85 HA3 GLY A 7 1.077 2.076 1.855 1.00 0.00 H ATOM 86 N LYS A 8 2.875 3.937 2.033 1.00 0.00 N ATOM 87 CA LYS A 8 3.973 4.915 2.287 1.00 0.00 C ATOM 88 C LYS A 8 5.109 4.703 1.241 1.00 0.00 C ATOM 89 O LYS A 8 5.144 5.430 0.244 1.00 0.00 O ATOM 90 CB LYS A 8 4.433 4.933 3.782 1.00 0.00 C ATOM 91 CG LYS A 8 5.376 6.102 4.149 1.00 0.00 C ATOM 92 CD LYS A 8 5.819 6.074 5.625 1.00 0.00 C ATOM 93 CE LYS A 8 6.787 7.219 5.970 1.00 0.00 C ATOM 94 NZ LYS A 8 7.191 7.164 7.390 1.00 0.00 N ATOM 95 H LYS A 8 2.946 3.194 1.324 1.00 0.00 H ATOM 96 HA LYS A 8 3.560 5.923 2.078 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.547 4.996 4.443 1.00 0.00 H ATOM 98 HB3 LYS A 8 4.906 3.967 4.041 1.00 0.00 H ATOM 99 HG2 LYS A 8 6.269 6.078 3.496 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.872 7.063 3.929 1.00 0.00 H ATOM 101 HD2 LYS A 8 4.923 6.125 6.276 1.00 0.00 H ATOM 102 HD3 LYS A 8 6.297 5.099 5.846 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.688 7.168 5.327 1.00 0.00 H ATOM 104 HE3 LYS A 8 6.316 8.199 5.757 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.661 6.281 7.620 1.00 0.00 H ATOM 106 HZ2 LYS A 8 7.838 7.921 7.639 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.383 7.241 8.020 1.00 0.00 H ATOM 108 N LEU A 9 6.023 3.729 1.450 1.00 0.00 N ATOM 109 CA LEU A 9 7.153 3.456 0.510 1.00 0.00 C ATOM 110 C LEU A 9 6.789 2.580 -0.734 1.00 0.00 C ATOM 111 O LEU A 9 7.439 2.750 -1.770 1.00 0.00 O ATOM 112 CB LEU A 9 8.415 2.877 1.234 1.00 0.00 C ATOM 113 CG LEU A 9 9.073 3.628 2.427 1.00 0.00 C ATOM 114 CD1 LEU A 9 9.336 5.123 2.158 1.00 0.00 C ATOM 115 CD2 LEU A 9 8.360 3.418 3.776 1.00 0.00 C ATOM 116 H LEU A 9 5.898 3.195 2.316 1.00 0.00 H ATOM 117 HA LEU A 9 7.481 4.430 0.094 1.00 0.00 H ATOM 118 HB2 LEU A 9 8.235 1.830 1.543 1.00 0.00 H ATOM 119 HB3 LEU A 9 9.220 2.782 0.475 1.00 0.00 H ATOM 120 HG LEU A 9 10.063 3.153 2.548 1.00 0.00 H ATOM 121 HD11 LEU A 9 8.397 5.699 2.060 1.00 0.00 H ATOM 122 HD12 LEU A 9 9.922 5.588 2.972 1.00 0.00 H ATOM 123 HD13 LEU A 9 9.910 5.272 1.224 1.00 0.00 H ATOM 124 HD21 LEU A 9 7.372 3.906 3.813 1.00 0.00 H ATOM 125 HD22 LEU A 9 8.205 2.345 3.993 1.00 0.00 H ATOM 126 HD23 LEU A 9 8.952 3.829 4.615 1.00 0.00 H ATOM 127 N ILE A 10 5.805 1.654 -0.652 1.00 0.00 N ATOM 128 CA ILE A 10 5.398 0.780 -1.791 1.00 0.00 C ATOM 129 C ILE A 10 3.869 0.940 -2.057 1.00 0.00 C ATOM 130 O ILE A 10 3.059 1.083 -1.131 1.00 0.00 O ATOM 131 CB ILE A 10 5.807 -0.727 -1.601 1.00 0.00 C ATOM 132 CG1 ILE A 10 5.213 -1.429 -0.341 1.00 0.00 C ATOM 133 CG2 ILE A 10 7.342 -0.917 -1.684 1.00 0.00 C ATOM 134 CD1 ILE A 10 5.160 -2.963 -0.424 1.00 0.00 C ATOM 135 H ILE A 10 5.231 1.699 0.200 1.00 0.00 H ATOM 136 HA ILE A 10 5.915 1.125 -2.711 1.00 0.00 H ATOM 137 HB ILE A 10 5.401 -1.262 -2.482 1.00 0.00 H ATOM 138 HG12 ILE A 10 5.765 -1.121 0.567 1.00 0.00 H ATOM 139 HG13 ILE A 10 4.176 -1.084 -0.170 1.00 0.00 H ATOM 140 HG21 ILE A 10 7.864 -0.451 -0.826 1.00 0.00 H ATOM 141 HG22 ILE A 10 7.629 -1.984 -1.699 1.00 0.00 H ATOM 142 HG23 ILE A 10 7.761 -0.466 -2.602 1.00 0.00 H ATOM 143 HD11 ILE A 10 6.167 -3.409 -0.513 1.00 0.00 H ATOM 144 HD12 ILE A 10 4.688 -3.393 0.477 1.00 0.00 H ATOM 145 HD13 ILE A 10 4.566 -3.300 -1.295 1.00 0.00 H ATOM 146 N ASP A 11 3.483 0.887 -3.345 1.00 0.00 N ATOM 147 CA ASP A 11 2.059 0.995 -3.765 1.00 0.00 C ATOM 148 C ASP A 11 1.245 -0.323 -3.530 1.00 0.00 C ATOM 149 O ASP A 11 0.172 -0.241 -2.928 1.00 0.00 O ATOM 150 CB ASP A 11 1.990 1.545 -5.222 1.00 0.00 C ATOM 151 CG ASP A 11 0.563 1.703 -5.786 1.00 0.00 C ATOM 152 OD1 ASP A 11 0.132 0.863 -6.580 1.00 0.00 O ATOM 153 H ASP A 11 4.243 0.751 -4.020 1.00 0.00 H ATOM 154 HA ASP A 11 1.582 1.772 -3.132 1.00 0.00 H ATOM 155 HB2 ASP A 11 2.514 2.518 -5.289 1.00 0.00 H ATOM 156 HB3 ASP A 11 2.554 0.875 -5.900 1.00 0.00 H ATOM 157 N THR A 12 1.738 -1.506 -3.964 1.00 0.00 N ATOM 158 CA THR A 12 1.034 -2.816 -3.814 1.00 0.00 C ATOM 159 C THR A 12 0.665 -3.148 -2.332 1.00 0.00 C ATOM 160 O THR A 12 1.537 -3.428 -1.503 1.00 0.00 O ATOM 161 CB THR A 12 1.865 -3.971 -4.457 1.00 0.00 C ATOM 162 OG1 THR A 12 3.138 -4.101 -3.826 1.00 0.00 O ATOM 163 CG2 THR A 12 2.094 -3.839 -5.974 1.00 0.00 C ATOM 164 H THR A 12 2.633 -1.446 -4.459 1.00 0.00 H ATOM 165 HA THR A 12 0.102 -2.743 -4.412 1.00 0.00 H ATOM 166 HB THR A 12 1.313 -4.918 -4.302 1.00 0.00 H ATOM 167 HG1 THR A 12 2.962 -4.125 -2.881 1.00 0.00 H ATOM 168 HG21 THR A 12 1.140 -3.759 -6.526 1.00 0.00 H ATOM 169 HG22 THR A 12 2.696 -2.944 -6.223 1.00 0.00 H ATOM 170 HG23 THR A 12 2.636 -4.714 -6.375 1.00 0.00 H ATOM 171 N THR A 13 -0.644 -3.073 -2.032 1.00 0.00 N ATOM 172 CA THR A 13 -1.200 -3.313 -0.678 1.00 0.00 C ATOM 173 C THR A 13 -2.584 -3.995 -0.868 1.00 0.00 C ATOM 174 O THR A 13 -3.505 -3.427 -1.465 1.00 0.00 O ATOM 175 CB THR A 13 -1.327 -2.005 0.168 1.00 0.00 C ATOM 176 OG1 THR A 13 -2.048 -0.994 -0.534 1.00 0.00 O ATOM 177 CG2 THR A 13 0.012 -1.403 0.630 1.00 0.00 C ATOM 178 H THR A 13 -1.273 -2.951 -2.831 1.00 0.00 H ATOM 179 HA THR A 13 -0.527 -3.999 -0.121 1.00 0.00 H ATOM 180 HB THR A 13 -1.894 -2.247 1.087 1.00 0.00 H ATOM 181 HG1 THR A 13 -1.592 -0.878 -1.372 1.00 0.00 H ATOM 182 HG21 THR A 13 0.626 -2.142 1.177 1.00 0.00 H ATOM 183 HG22 THR A 13 0.616 -1.033 -0.219 1.00 0.00 H ATOM 184 HG23 THR A 13 -0.147 -0.547 1.311 1.00 0.00 H ATOM 185 N ALA A 14 -2.704 -5.229 -0.353 1.00 0.00 N ATOM 186 CA ALA A 14 -3.951 -6.027 -0.427 1.00 0.00 C ATOM 187 C ALA A 14 -4.781 -5.847 0.864 1.00 0.00 C ATOM 188 O ALA A 14 -4.421 -6.227 1.979 1.00 0.00 O ATOM 189 CB ALA A 14 -3.585 -7.503 -0.666 1.00 0.00 C ATOM 190 OXT ALA A 14 -5.965 -5.205 0.628 1.00 0.00 O ATOM 191 H ALA A 14 -1.815 -5.615 -0.022 1.00 0.00 H ATOM 192 HA ALA A 14 -4.563 -5.705 -1.293 1.00 0.00 H ATOM 193 HB1 ALA A 14 -2.960 -7.921 0.146 1.00 0.00 H ATOM 194 HB2 ALA A 14 -4.490 -8.135 -0.737 1.00 0.00 H ATOM 195 HB3 ALA A 14 -3.031 -7.638 -1.614 1.00 0.00 H ATOM 196 HXT ALA A 14 -6.471 -5.083 1.436 1.00 0.00 H TER 197 ALA A 14