HETATM 1 C ACE A 1 -9.302 -4.791 -3.049 1.00 0.00 C HETATM 2 O ACE A 1 -8.096 -4.847 -3.296 1.00 0.00 O HETATM 3 CH3 ACE A 1 -10.111 -6.071 -2.862 1.00 0.00 C HETATM 4 H1 ACE A 1 -9.467 -6.964 -2.962 1.00 0.00 H HETATM 5 H2 ACE A 1 -10.575 -6.112 -1.859 1.00 0.00 H HETATM 6 H3 ACE A 1 -10.914 -6.157 -3.616 1.00 0.00 H ATOM 7 N ILE A 2 -9.990 -3.646 -2.928 1.00 0.00 N ATOM 8 CA ILE A 2 -9.357 -2.299 -3.075 1.00 0.00 C ATOM 9 C ILE A 2 -8.666 -1.861 -1.747 1.00 0.00 C ATOM 10 O ILE A 2 -9.197 -2.069 -0.650 1.00 0.00 O ATOM 11 CB ILE A 2 -10.330 -1.208 -3.645 1.00 0.00 C ATOM 12 CG1 ILE A 2 -11.597 -0.931 -2.780 1.00 0.00 C ATOM 13 CG2 ILE A 2 -10.703 -1.490 -5.123 1.00 0.00 C ATOM 14 CD1 ILE A 2 -12.249 0.438 -3.025 1.00 0.00 C ATOM 15 H ILE A 2 -10.985 -3.762 -2.708 1.00 0.00 H ATOM 16 HA ILE A 2 -8.548 -2.404 -3.827 1.00 0.00 H ATOM 17 HB ILE A 2 -9.745 -0.267 -3.667 1.00 0.00 H ATOM 18 HG12 ILE A 2 -12.345 -1.734 -2.924 1.00 0.00 H ATOM 19 HG13 ILE A 2 -11.338 -0.976 -1.707 1.00 0.00 H ATOM 20 HG21 ILE A 2 -11.272 -0.656 -5.574 1.00 0.00 H ATOM 21 HG22 ILE A 2 -9.804 -1.631 -5.752 1.00 0.00 H ATOM 22 HG23 ILE A 2 -11.320 -2.401 -5.229 1.00 0.00 H ATOM 23 HD11 ILE A 2 -11.536 1.263 -2.842 1.00 0.00 H ATOM 24 HD12 ILE A 2 -12.619 0.541 -4.061 1.00 0.00 H ATOM 25 HD13 ILE A 2 -13.110 0.594 -2.351 1.00 0.00 H ATOM 26 N TRP A 3 -7.480 -1.237 -1.874 1.00 0.00 N ATOM 27 CA TRP A 3 -6.670 -0.789 -0.706 1.00 0.00 C ATOM 28 C TRP A 3 -6.071 0.620 -0.968 1.00 0.00 C ATOM 29 O TRP A 3 -5.555 0.903 -2.057 1.00 0.00 O ATOM 30 CB TRP A 3 -5.526 -1.804 -0.402 1.00 0.00 C ATOM 31 CG TRP A 3 -5.945 -3.261 -0.131 1.00 0.00 C ATOM 32 CD1 TRP A 3 -6.823 -3.694 0.884 1.00 0.00 C ATOM 33 CD2 TRP A 3 -5.644 -4.395 -0.865 1.00 0.00 C ATOM 34 NE1 TRP A 3 -7.068 -5.077 0.814 1.00 0.00 N ATOM 35 CE2 TRP A 3 -6.330 -5.490 -0.282 1.00 0.00 C ATOM 36 CE3 TRP A 3 -4.869 -4.578 -2.039 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -6.233 -6.779 -0.859 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -4.781 -5.859 -2.586 1.00 0.00 C ATOM 39 CH2 TRP A 3 -5.452 -6.943 -2.005 1.00 0.00 C ATOM 40 H TRP A 3 -7.195 -1.050 -2.841 1.00 0.00 H ATOM 41 HA TRP A 3 -7.314 -0.737 0.197 1.00 0.00 H ATOM 42 HB2 TRP A 3 -4.781 -1.782 -1.221 1.00 0.00 H ATOM 43 HB3 TRP A 3 -4.969 -1.451 0.485 1.00 0.00 H ATOM 44 HD1 TRP A 3 -7.320 -3.026 1.570 1.00 0.00 H ATOM 45 HE1 TRP A 3 -7.701 -5.637 1.396 1.00 0.00 H ATOM 46 HE3 TRP A 3 -4.371 -3.748 -2.516 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -6.759 -7.619 -0.429 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -4.195 -6.014 -3.480 1.00 0.00 H ATOM 49 HH2 TRP A 3 -5.372 -7.920 -2.456 1.00 0.00 H ATOM 50 N GLY A 4 -6.108 1.490 0.059 1.00 0.00 N ATOM 51 CA GLY A 4 -5.562 2.868 -0.035 1.00 0.00 C ATOM 52 C GLY A 4 -4.017 2.934 -0.039 1.00 0.00 C ATOM 53 O GLY A 4 -3.352 2.169 0.669 1.00 0.00 O ATOM 54 H GLY A 4 -6.542 1.132 0.917 1.00 0.00 H ATOM 55 HA2 GLY A 4 -5.994 3.375 -0.921 1.00 0.00 H ATOM 56 HA3 GLY A 4 -5.928 3.448 0.832 1.00 0.00 H HETATM 57 N SET A 5 -3.458 3.874 -0.826 1.00 0.00 N HETATM 58 CA SET A 5 -1.984 4.040 -0.946 1.00 0.00 C HETATM 59 CB SET A 5 -1.424 4.928 0.203 1.00 0.00 C HETATM 60 OG SET A 5 -1.602 6.150 0.189 1.00 0.00 O HETATM 61 NT SET A 5 -0.281 4.043 -2.795 1.00 0.00 N HETATM 62 C SET A 5 -1.606 4.560 -2.369 1.00 0.00 C HETATM 63 H SET A 5 -4.121 4.447 -1.359 1.00 0.00 H HETATM 64 HA SET A 5 -1.551 3.026 -0.859 1.00 0.00 H HETATM 65 HB2 SET A 5 -2.377 4.284 -3.118 1.00 0.00 H HETATM 66 HB3 SET A 5 -1.594 5.666 -2.400 1.00 0.00 H HETATM 67 HNT2 SET A 5 0.588 4.363 -2.353 1.00 0.00 H ATOM 68 N SER A 6 -0.772 4.300 1.203 1.00 0.00 N ATOM 69 CA SER A 6 -0.196 5.009 2.377 1.00 0.00 C ATOM 70 C SER A 6 0.815 4.053 3.064 1.00 0.00 C ATOM 71 O SER A 6 0.430 3.004 3.595 1.00 0.00 O ATOM 72 CB SER A 6 -1.278 5.445 3.402 1.00 0.00 C ATOM 73 OG SER A 6 -2.061 6.525 2.906 1.00 0.00 O ATOM 74 H SER A 6 -0.569 3.306 1.041 1.00 0.00 H ATOM 75 HA SER A 6 0.330 5.922 2.029 1.00 0.00 H ATOM 76 HB2 SER A 6 -1.940 4.598 3.668 1.00 0.00 H ATOM 77 HB3 SER A 6 -0.810 5.771 4.352 1.00 0.00 H ATOM 78 HG SER A 6 -2.236 6.326 1.981 1.00 0.00 H ATOM 79 N GLY A 7 2.106 4.420 3.061 1.00 0.00 N ATOM 80 CA GLY A 7 3.152 3.591 3.696 1.00 0.00 C ATOM 81 C GLY A 7 4.547 4.210 3.519 1.00 0.00 C ATOM 82 O GLY A 7 4.868 5.198 4.186 1.00 0.00 O ATOM 83 H GLY A 7 2.310 5.315 2.603 1.00 0.00 H ATOM 84 HA2 GLY A 7 2.943 3.505 4.780 1.00 0.00 H ATOM 85 HA3 GLY A 7 3.110 2.554 3.308 1.00 0.00 H ATOM 86 N LYS A 8 5.374 3.609 2.645 1.00 0.00 N ATOM 87 CA LYS A 8 6.757 4.099 2.373 1.00 0.00 C ATOM 88 C LYS A 8 7.194 3.560 0.979 1.00 0.00 C ATOM 89 O LYS A 8 7.043 4.279 -0.013 1.00 0.00 O ATOM 90 CB LYS A 8 7.731 3.811 3.562 1.00 0.00 C ATOM 91 CG LYS A 8 9.123 4.469 3.428 1.00 0.00 C ATOM 92 CD LYS A 8 10.039 4.180 4.634 1.00 0.00 C ATOM 93 CE LYS A 8 11.422 4.840 4.495 1.00 0.00 C ATOM 94 NZ LYS A 8 12.271 4.545 5.668 1.00 0.00 N ATOM 95 H LYS A 8 4.915 2.909 2.049 1.00 0.00 H ATOM 96 HA LYS A 8 6.705 5.202 2.268 1.00 0.00 H ATOM 97 HB2 LYS A 8 7.274 4.170 4.504 1.00 0.00 H ATOM 98 HB3 LYS A 8 7.842 2.718 3.701 1.00 0.00 H ATOM 99 HG2 LYS A 8 9.613 4.117 2.500 1.00 0.00 H ATOM 100 HG3 LYS A 8 9.000 5.562 3.306 1.00 0.00 H ATOM 101 HD2 LYS A 8 9.544 4.532 5.561 1.00 0.00 H ATOM 102 HD3 LYS A 8 10.153 3.084 4.752 1.00 0.00 H ATOM 103 HE2 LYS A 8 11.927 4.486 3.575 1.00 0.00 H ATOM 104 HE3 LYS A 8 11.316 5.937 4.382 1.00 0.00 H ATOM 105 HZ1 LYS A 8 13.200 4.977 5.594 1.00 0.00 H ATOM 106 HZ2 LYS A 8 11.851 4.887 6.540 1.00 0.00 H ATOM 107 HZ3 LYS A 8 12.421 3.536 5.788 1.00 0.00 H ATOM 108 N LEU A 9 7.722 2.318 0.893 1.00 0.00 N ATOM 109 CA LEU A 9 8.161 1.704 -0.394 1.00 0.00 C ATOM 110 C LEU A 9 6.970 1.088 -1.203 1.00 0.00 C ATOM 111 O LEU A 9 6.913 1.332 -2.412 1.00 0.00 O ATOM 112 CB LEU A 9 9.397 0.783 -0.124 1.00 0.00 C ATOM 113 CG LEU A 9 10.153 0.113 -1.309 1.00 0.00 C ATOM 114 CD1 LEU A 9 9.434 -1.114 -1.902 1.00 0.00 C ATOM 115 CD2 LEU A 9 10.577 1.098 -2.415 1.00 0.00 C ATOM 116 H LEU A 9 7.796 1.819 1.786 1.00 0.00 H ATOM 117 HA LEU A 9 8.557 2.522 -1.028 1.00 0.00 H ATOM 118 HB2 LEU A 9 10.163 1.392 0.403 1.00 0.00 H ATOM 119 HB3 LEU A 9 9.144 0.000 0.614 1.00 0.00 H ATOM 120 HG LEU A 9 11.093 -0.282 -0.876 1.00 0.00 H ATOM 121 HD11 LEU A 9 8.515 -0.845 -2.454 1.00 0.00 H ATOM 122 HD12 LEU A 9 10.083 -1.658 -2.612 1.00 0.00 H ATOM 123 HD13 LEU A 9 9.146 -1.837 -1.117 1.00 0.00 H ATOM 124 HD21 LEU A 9 11.227 0.613 -3.167 1.00 0.00 H ATOM 125 HD22 LEU A 9 9.707 1.513 -2.958 1.00 0.00 H ATOM 126 HD23 LEU A 9 11.146 1.953 -2.004 1.00 0.00 H ATOM 127 N ILE A 10 6.043 0.309 -0.592 1.00 0.00 N ATOM 128 CA ILE A 10 4.877 -0.284 -1.310 1.00 0.00 C ATOM 129 C ILE A 10 3.605 0.580 -1.038 1.00 0.00 C ATOM 130 O ILE A 10 3.384 1.075 0.075 1.00 0.00 O ATOM 131 CB ILE A 10 4.637 -1.803 -0.986 1.00 0.00 C ATOM 132 CG1 ILE A 10 4.342 -2.140 0.508 1.00 0.00 C ATOM 133 CG2 ILE A 10 5.771 -2.695 -1.549 1.00 0.00 C ATOM 134 CD1 ILE A 10 3.562 -3.447 0.724 1.00 0.00 C ATOM 135 H ILE A 10 6.035 0.332 0.433 1.00 0.00 H ATOM 136 HA ILE A 10 5.075 -0.247 -2.402 1.00 0.00 H ATOM 137 HB ILE A 10 3.733 -2.085 -1.561 1.00 0.00 H ATOM 138 HG12 ILE A 10 5.282 -2.160 1.092 1.00 0.00 H ATOM 139 HG13 ILE A 10 3.743 -1.334 0.969 1.00 0.00 H ATOM 140 HG21 ILE A 10 6.728 -2.528 -1.021 1.00 0.00 H ATOM 141 HG22 ILE A 10 5.535 -3.771 -1.461 1.00 0.00 H ATOM 142 HG23 ILE A 10 5.953 -2.500 -2.622 1.00 0.00 H ATOM 143 HD11 ILE A 10 4.120 -4.329 0.362 1.00 0.00 H ATOM 144 HD12 ILE A 10 3.347 -3.610 1.795 1.00 0.00 H ATOM 145 HD13 ILE A 10 2.589 -3.429 0.197 1.00 0.00 H ATOM 146 N ASP A 11 2.761 0.735 -2.071 1.00 0.00 N ATOM 147 CA ASP A 11 1.497 1.512 -1.970 1.00 0.00 C ATOM 148 C ASP A 11 0.330 0.683 -1.335 1.00 0.00 C ATOM 149 O ASP A 11 -0.202 1.102 -0.304 1.00 0.00 O ATOM 150 CB ASP A 11 1.182 2.142 -3.363 1.00 0.00 C ATOM 151 CG ASP A 11 -0.167 2.882 -3.461 1.00 0.00 C ATOM 152 OD1 ASP A 11 -1.106 2.345 -4.055 1.00 0.00 O ATOM 153 H ASP A 11 3.043 0.262 -2.937 1.00 0.00 H ATOM 154 HA ASP A 11 1.671 2.372 -1.292 1.00 0.00 H ATOM 155 HB2 ASP A 11 1.996 2.832 -3.661 1.00 0.00 H ATOM 156 HB3 ASP A 11 1.188 1.353 -4.140 1.00 0.00 H ATOM 157 N THR A 12 -0.043 -0.474 -1.922 1.00 0.00 N ATOM 158 CA THR A 12 -1.168 -1.329 -1.445 1.00 0.00 C ATOM 159 C THR A 12 -1.065 -1.791 0.042 1.00 0.00 C ATOM 160 O THR A 12 -0.093 -2.438 0.445 1.00 0.00 O ATOM 161 CB THR A 12 -1.362 -2.562 -2.382 1.00 0.00 C ATOM 162 OG1 THR A 12 -0.211 -3.403 -2.386 1.00 0.00 O ATOM 163 CG2 THR A 12 -1.710 -2.220 -3.842 1.00 0.00 C ATOM 164 H THR A 12 0.470 -0.705 -2.777 1.00 0.00 H ATOM 165 HA THR A 12 -2.084 -0.714 -1.565 1.00 0.00 H ATOM 166 HB THR A 12 -2.204 -3.161 -1.987 1.00 0.00 H ATOM 167 HG1 THR A 12 0.515 -2.861 -2.702 1.00 0.00 H ATOM 168 HG21 THR A 12 -2.618 -1.593 -3.907 1.00 0.00 H ATOM 169 HG22 THR A 12 -0.893 -1.669 -4.344 1.00 0.00 H ATOM 170 HG23 THR A 12 -1.896 -3.135 -4.434 1.00 0.00 H ATOM 171 N THR A 13 -2.095 -1.439 0.831 1.00 0.00 N ATOM 172 CA THR A 13 -2.183 -1.791 2.277 1.00 0.00 C ATOM 173 C THR A 13 -3.126 -3.022 2.447 1.00 0.00 C ATOM 174 O THR A 13 -4.298 -2.889 2.815 1.00 0.00 O ATOM 175 CB THR A 13 -2.613 -0.554 3.131 1.00 0.00 C ATOM 176 OG1 THR A 13 -3.819 0.034 2.645 1.00 0.00 O ATOM 177 CG2 THR A 13 -1.551 0.553 3.224 1.00 0.00 C ATOM 178 H THR A 13 -2.828 -0.897 0.363 1.00 0.00 H ATOM 179 HA THR A 13 -1.185 -2.086 2.661 1.00 0.00 H ATOM 180 HB THR A 13 -2.802 -0.902 4.165 1.00 0.00 H ATOM 181 HG1 THR A 13 -3.557 0.619 1.928 1.00 0.00 H ATOM 182 HG21 THR A 13 -0.602 0.177 3.649 1.00 0.00 H ATOM 183 HG22 THR A 13 -1.317 0.989 2.235 1.00 0.00 H ATOM 184 HG23 THR A 13 -1.890 1.383 3.872 1.00 0.00 H ATOM 185 N ALA A 14 -2.588 -4.229 2.180 1.00 0.00 N ATOM 186 CA ALA A 14 -3.348 -5.498 2.281 1.00 0.00 C ATOM 187 C ALA A 14 -3.187 -6.129 3.681 1.00 0.00 C ATOM 188 O ALA A 14 -2.127 -6.579 4.119 1.00 0.00 O ATOM 189 CB ALA A 14 -2.872 -6.444 1.165 1.00 0.00 C ATOM 190 OXT ALA A 14 -4.362 -6.127 4.386 1.00 0.00 O ATOM 191 H ALA A 14 -1.620 -4.199 1.841 1.00 0.00 H ATOM 192 HA ALA A 14 -4.424 -5.311 2.097 1.00 0.00 H ATOM 193 HB1 ALA A 14 -1.800 -6.706 1.259 1.00 0.00 H ATOM 194 HB2 ALA A 14 -3.441 -7.392 1.170 1.00 0.00 H ATOM 195 HB3 ALA A 14 -3.015 -5.999 0.162 1.00 0.00 H ATOM 196 HXT ALA A 14 -4.246 -6.516 5.255 1.00 0.00 H TER 197 ALA A 14