HETATM 1 C ACE A 1 -3.328 1.858 -5.597 1.00 0.00 C HETATM 2 O ACE A 1 -3.869 2.878 -6.028 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.299 1.953 -4.476 1.00 0.00 C HETATM 4 H1 ACE A 1 -2.193 2.994 -4.124 1.00 0.00 H HETATM 5 H2 ACE A 1 -2.581 1.336 -3.603 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.302 1.626 -4.822 1.00 0.00 H ATOM 7 N ILE A 2 -3.573 0.622 -6.055 1.00 0.00 N ATOM 8 CA ILE A 2 -4.553 0.328 -7.153 1.00 0.00 C ATOM 9 C ILE A 2 -5.707 -0.622 -6.691 1.00 0.00 C ATOM 10 O ILE A 2 -6.873 -0.325 -6.967 1.00 0.00 O ATOM 11 CB ILE A 2 -3.883 -0.100 -8.512 1.00 0.00 C ATOM 12 CG1 ILE A 2 -3.044 -1.413 -8.461 1.00 0.00 C ATOM 13 CG2 ILE A 2 -3.078 1.072 -9.132 1.00 0.00 C ATOM 14 CD1 ILE A 2 -2.595 -1.982 -9.817 1.00 0.00 C ATOM 15 H ILE A 2 -3.058 -0.120 -5.570 1.00 0.00 H ATOM 16 HA ILE A 2 -5.093 1.266 -7.393 1.00 0.00 H ATOM 17 HB ILE A 2 -4.717 -0.289 -9.216 1.00 0.00 H ATOM 18 HG12 ILE A 2 -2.160 -1.275 -7.813 1.00 0.00 H ATOM 19 HG13 ILE A 2 -3.632 -2.207 -7.970 1.00 0.00 H ATOM 20 HG21 ILE A 2 -3.678 2.000 -9.182 1.00 0.00 H ATOM 21 HG22 ILE A 2 -2.169 1.304 -8.547 1.00 0.00 H ATOM 22 HG23 ILE A 2 -2.756 0.856 -10.166 1.00 0.00 H ATOM 23 HD11 ILE A 2 -2.062 -2.940 -9.688 1.00 0.00 H ATOM 24 HD12 ILE A 2 -3.456 -2.175 -10.484 1.00 0.00 H ATOM 25 HD13 ILE A 2 -1.904 -1.301 -10.347 1.00 0.00 H ATOM 26 N TRP A 3 -5.406 -1.744 -6.004 1.00 0.00 N ATOM 27 CA TRP A 3 -6.430 -2.718 -5.521 1.00 0.00 C ATOM 28 C TRP A 3 -7.185 -2.229 -4.246 1.00 0.00 C ATOM 29 O TRP A 3 -8.414 -2.127 -4.264 1.00 0.00 O ATOM 30 CB TRP A 3 -5.795 -4.126 -5.309 1.00 0.00 C ATOM 31 CG TRP A 3 -5.185 -4.774 -6.558 1.00 0.00 C ATOM 32 CD1 TRP A 3 -5.917 -5.237 -7.664 1.00 0.00 C ATOM 33 CD2 TRP A 3 -3.854 -4.956 -6.886 1.00 0.00 C ATOM 34 NE1 TRP A 3 -5.076 -5.715 -8.687 1.00 0.00 N ATOM 35 CE2 TRP A 3 -3.798 -5.527 -8.183 1.00 0.00 C ATOM 36 CE3 TRP A 3 -2.661 -4.635 -6.191 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -2.546 -5.783 -8.792 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -1.438 -4.896 -6.811 1.00 0.00 C ATOM 39 CH2 TRP A 3 -1.381 -5.462 -8.090 1.00 0.00 C ATOM 40 H TRP A 3 -4.401 -1.912 -5.889 1.00 0.00 H ATOM 41 HA TRP A 3 -7.196 -2.836 -6.314 1.00 0.00 H ATOM 42 HB2 TRP A 3 -5.034 -4.084 -4.506 1.00 0.00 H ATOM 43 HB3 TRP A 3 -6.566 -4.817 -4.917 1.00 0.00 H ATOM 44 HD1 TRP A 3 -6.993 -5.172 -7.720 1.00 0.00 H ATOM 45 HE1 TRP A 3 -5.344 -6.081 -9.608 1.00 0.00 H ATOM 46 HE3 TRP A 3 -2.694 -4.193 -5.206 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -2.489 -6.208 -9.783 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -0.520 -4.654 -6.295 1.00 0.00 H ATOM 49 HH2 TRP A 3 -0.419 -5.649 -8.546 1.00 0.00 H ATOM 50 N GLY A 4 -6.447 -1.942 -3.160 1.00 0.00 N ATOM 51 CA GLY A 4 -7.030 -1.463 -1.888 1.00 0.00 C ATOM 52 C GLY A 4 -5.968 -0.708 -1.075 1.00 0.00 C ATOM 53 O GLY A 4 -5.818 0.506 -1.240 1.00 0.00 O ATOM 54 H GLY A 4 -5.441 -2.076 -3.308 1.00 0.00 H ATOM 55 HA2 GLY A 4 -7.882 -0.780 -2.077 1.00 0.00 H ATOM 56 HA3 GLY A 4 -7.450 -2.315 -1.318 1.00 0.00 H ATOM 57 N ASP A 5 -5.246 -1.429 -0.196 1.00 0.00 N ATOM 58 CA ASP A 5 -4.169 -0.841 0.650 1.00 0.00 C ATOM 59 C ASP A 5 -3.008 -1.886 0.865 1.00 0.00 C ATOM 60 O ASP A 5 -3.206 -3.097 0.705 1.00 0.00 O ATOM 61 CB ASP A 5 -4.789 -0.325 1.989 1.00 0.00 C ATOM 62 CG ASP A 5 -3.852 0.534 2.861 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.312 0.046 3.858 1.00 0.00 O ATOM 64 H ASP A 5 -5.465 -2.431 -0.173 1.00 0.00 H ATOM 65 HA ASP A 5 -3.779 0.032 0.084 1.00 0.00 H ATOM 66 HB2 ASP A 5 -5.706 0.263 1.784 1.00 0.00 H ATOM 67 HB3 ASP A 5 -5.142 -1.185 2.590 1.00 0.00 H ATOM 68 N SER A 6 -1.793 -1.434 1.257 1.00 0.00 N ATOM 69 CA SER A 6 -0.624 -2.328 1.497 1.00 0.00 C ATOM 70 C SER A 6 -0.708 -3.184 2.803 1.00 0.00 C ATOM 71 O SER A 6 -0.501 -4.399 2.735 1.00 0.00 O ATOM 72 CB SER A 6 0.679 -1.489 1.487 1.00 0.00 C ATOM 73 OG SER A 6 0.828 -0.725 0.293 1.00 0.00 O ATOM 74 H SER A 6 -1.684 -0.430 1.441 1.00 0.00 H ATOM 75 HA SER A 6 -0.551 -3.032 0.645 1.00 0.00 H ATOM 76 HB2 SER A 6 0.707 -0.802 2.354 1.00 0.00 H ATOM 77 HB3 SER A 6 1.562 -2.146 1.601 1.00 0.00 H ATOM 78 HG SER A 6 0.956 -1.351 -0.425 1.00 0.00 H ATOM 79 N GLY A 7 -0.987 -2.566 3.971 1.00 0.00 N ATOM 80 CA GLY A 7 -1.078 -3.279 5.269 1.00 0.00 C ATOM 81 C GLY A 7 0.255 -3.407 6.040 1.00 0.00 C ATOM 82 O GLY A 7 0.653 -4.521 6.390 1.00 0.00 O ATOM 83 H GLY A 7 -1.167 -1.559 3.898 1.00 0.00 H ATOM 84 HA2 GLY A 7 -1.804 -2.745 5.910 1.00 0.00 H ATOM 85 HA3 GLY A 7 -1.523 -4.284 5.130 1.00 0.00 H ATOM 86 N LYS A 8 0.928 -2.271 6.309 1.00 0.00 N ATOM 87 CA LYS A 8 2.222 -2.230 7.045 1.00 0.00 C ATOM 88 C LYS A 8 2.415 -0.780 7.591 1.00 0.00 C ATOM 89 O LYS A 8 2.232 -0.561 8.791 1.00 0.00 O ATOM 90 CB LYS A 8 3.406 -2.784 6.190 1.00 0.00 C ATOM 91 CG LYS A 8 4.734 -2.952 6.965 1.00 0.00 C ATOM 92 CD LYS A 8 5.910 -3.504 6.126 1.00 0.00 C ATOM 93 CE LYS A 8 6.478 -2.579 5.027 1.00 0.00 C ATOM 94 NZ LYS A 8 7.150 -1.379 5.574 1.00 0.00 N ATOM 95 H LYS A 8 0.471 -1.419 5.966 1.00 0.00 H ATOM 96 HA LYS A 8 2.123 -2.889 7.931 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.128 -3.772 5.775 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.558 -2.139 5.305 1.00 0.00 H ATOM 99 HG2 LYS A 8 5.029 -1.994 7.433 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.561 -3.639 7.815 1.00 0.00 H ATOM 101 HD2 LYS A 8 6.729 -3.796 6.811 1.00 0.00 H ATOM 102 HD3 LYS A 8 5.594 -4.456 5.659 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.203 -3.149 4.414 1.00 0.00 H ATOM 104 HE3 LYS A 8 5.680 -2.275 4.321 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.930 -1.630 6.194 1.00 0.00 H ATOM 106 HZ2 LYS A 8 7.536 -0.779 4.835 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.507 -0.801 6.127 1.00 0.00 H ATOM 108 N LEU A 9 2.791 0.188 6.727 1.00 0.00 N ATOM 109 CA LEU A 9 3.001 1.612 7.115 1.00 0.00 C ATOM 110 C LEU A 9 2.310 2.515 6.047 1.00 0.00 C ATOM 111 O LEU A 9 1.260 3.092 6.341 1.00 0.00 O ATOM 112 CB LEU A 9 4.508 1.950 7.349 1.00 0.00 C ATOM 113 CG LEU A 9 5.215 1.295 8.570 1.00 0.00 C ATOM 114 CD1 LEU A 9 6.735 1.540 8.511 1.00 0.00 C ATOM 115 CD2 LEU A 9 4.664 1.790 9.923 1.00 0.00 C ATOM 116 H LEU A 9 2.877 -0.124 5.754 1.00 0.00 H ATOM 117 HA LEU A 9 2.467 1.822 8.062 1.00 0.00 H ATOM 118 HB2 LEU A 9 5.069 1.694 6.429 1.00 0.00 H ATOM 119 HB3 LEU A 9 4.616 3.049 7.437 1.00 0.00 H ATOM 120 HG LEU A 9 5.060 0.201 8.522 1.00 0.00 H ATOM 121 HD11 LEU A 9 6.986 2.616 8.567 1.00 0.00 H ATOM 122 HD12 LEU A 9 7.263 1.038 9.343 1.00 0.00 H ATOM 123 HD13 LEU A 9 7.177 1.151 7.576 1.00 0.00 H ATOM 124 HD21 LEU A 9 5.188 1.318 10.775 1.00 0.00 H ATOM 125 HD22 LEU A 9 4.768 2.885 10.040 1.00 0.00 H ATOM 126 HD23 LEU A 9 3.593 1.547 10.045 1.00 0.00 H ATOM 127 N ILE A 10 2.875 2.631 4.823 1.00 0.00 N ATOM 128 CA ILE A 10 2.298 3.454 3.722 1.00 0.00 C ATOM 129 C ILE A 10 1.266 2.599 2.921 1.00 0.00 C ATOM 130 O ILE A 10 1.635 1.628 2.253 1.00 0.00 O ATOM 131 CB ILE A 10 3.427 4.122 2.851 1.00 0.00 C ATOM 132 CG1 ILE A 10 2.902 5.100 1.757 1.00 0.00 C ATOM 133 CG2 ILE A 10 4.425 3.132 2.191 1.00 0.00 C ATOM 134 CD1 ILE A 10 2.148 6.336 2.275 1.00 0.00 C ATOM 135 H ILE A 10 3.743 2.101 4.699 1.00 0.00 H ATOM 136 HA ILE A 10 1.764 4.305 4.194 1.00 0.00 H ATOM 137 HB ILE A 10 4.036 4.735 3.543 1.00 0.00 H ATOM 138 HG12 ILE A 10 3.752 5.470 1.152 1.00 0.00 H ATOM 139 HG13 ILE A 10 2.259 4.559 1.036 1.00 0.00 H ATOM 140 HG21 ILE A 10 4.908 2.473 2.935 1.00 0.00 H ATOM 141 HG22 ILE A 10 3.936 2.478 1.447 1.00 0.00 H ATOM 142 HG23 ILE A 10 5.243 3.661 1.667 1.00 0.00 H ATOM 143 HD11 ILE A 10 1.884 7.016 1.445 1.00 0.00 H ATOM 144 HD12 ILE A 10 1.204 6.066 2.782 1.00 0.00 H ATOM 145 HD13 ILE A 10 2.759 6.918 2.990 1.00 0.00 H HETATM 146 N SET A 11 -0.024 2.978 2.993 1.00 0.00 N HETATM 147 CA SET A 11 -1.120 2.258 2.281 1.00 0.00 C HETATM 148 CB SET A 11 -1.148 2.445 0.730 1.00 0.00 C HETATM 149 OG SET A 11 -1.426 1.465 0.031 1.00 0.00 O HETATM 150 NT SET A 11 -3.627 1.784 2.432 1.00 0.00 N HETATM 151 C SET A 11 -2.484 2.602 2.946 1.00 0.00 C HETATM 152 H SET A 11 -0.205 3.778 3.609 1.00 0.00 H HETATM 153 HA SET A 11 -0.957 1.177 2.462 1.00 0.00 H HETATM 154 HB2 SET A 11 -2.391 2.491 4.049 1.00 0.00 H HETATM 155 HB3 SET A 11 -2.696 3.680 2.804 1.00 0.00 H HETATM 156 HNT2 SET A 11 -4.167 2.008 1.580 1.00 0.00 H ATOM 157 N THR A 12 -0.894 3.657 0.192 1.00 0.00 N ATOM 158 CA THR A 12 -0.902 3.913 -1.281 1.00 0.00 C ATOM 159 C THR A 12 0.429 3.491 -2.001 1.00 0.00 C ATOM 160 O THR A 12 1.100 4.300 -2.650 1.00 0.00 O ATOM 161 CB THR A 12 -1.398 5.371 -1.541 1.00 0.00 C ATOM 162 OG1 THR A 12 -1.604 5.567 -2.936 1.00 0.00 O ATOM 163 CG2 THR A 12 -0.503 6.520 -1.030 1.00 0.00 C ATOM 164 H THR A 12 -0.669 4.392 0.871 1.00 0.00 H ATOM 165 HA THR A 12 -1.691 3.277 -1.728 1.00 0.00 H ATOM 166 HB THR A 12 -2.385 5.490 -1.052 1.00 0.00 H ATOM 167 HG1 THR A 12 -2.299 4.958 -3.198 1.00 0.00 H ATOM 168 HG21 THR A 12 0.493 6.517 -1.509 1.00 0.00 H ATOM 169 HG22 THR A 12 -0.959 7.504 -1.241 1.00 0.00 H ATOM 170 HG23 THR A 12 -0.345 6.465 0.062 1.00 0.00 H ATOM 171 N THR A 13 0.784 2.194 -1.898 1.00 0.00 N ATOM 172 CA THR A 13 2.008 1.619 -2.527 1.00 0.00 C ATOM 173 C THR A 13 1.631 0.182 -3.005 1.00 0.00 C ATOM 174 O THR A 13 1.881 -0.810 -2.311 1.00 0.00 O ATOM 175 CB THR A 13 3.225 1.685 -1.548 1.00 0.00 C ATOM 176 OG1 THR A 13 3.460 3.028 -1.133 1.00 0.00 O ATOM 177 CG2 THR A 13 4.547 1.180 -2.150 1.00 0.00 C ATOM 178 H THR A 13 0.207 1.668 -1.228 1.00 0.00 H ATOM 179 HA THR A 13 2.281 2.214 -3.423 1.00 0.00 H ATOM 180 HB THR A 13 3.001 1.084 -0.644 1.00 0.00 H ATOM 181 HG1 THR A 13 3.541 3.546 -1.938 1.00 0.00 H ATOM 182 HG21 THR A 13 4.489 0.114 -2.439 1.00 0.00 H ATOM 183 HG22 THR A 13 4.835 1.752 -3.052 1.00 0.00 H ATOM 184 HG23 THR A 13 5.377 1.270 -1.425 1.00 0.00 H ATOM 185 N ALA A 14 1.018 0.083 -4.200 1.00 0.00 N ATOM 186 CA ALA A 14 0.586 -1.209 -4.792 1.00 0.00 C ATOM 187 C ALA A 14 0.425 -1.065 -6.321 1.00 0.00 C ATOM 188 O ALA A 14 -0.073 -0.085 -6.879 1.00 0.00 O ATOM 189 CB ALA A 14 -0.735 -1.694 -4.159 1.00 0.00 C ATOM 190 OXT ALA A 14 0.877 -2.171 -6.992 1.00 0.00 O ATOM 191 H ALA A 14 0.855 0.977 -4.677 1.00 0.00 H ATOM 192 HA ALA A 14 1.364 -1.974 -4.599 1.00 0.00 H ATOM 193 HB1 ALA A 14 -0.644 -1.819 -3.064 1.00 0.00 H ATOM 194 HB2 ALA A 14 -1.572 -0.994 -4.338 1.00 0.00 H ATOM 195 HB3 ALA A 14 -1.037 -2.677 -4.562 1.00 0.00 H ATOM 196 HXT ALA A 14 0.764 -2.072 -7.940 1.00 0.00 H TER 197 ALA A 14