HETATM 1 C ACE A 1 -4.755 -3.175 5.060 1.00 0.00 C HETATM 2 O ACE A 1 -5.789 -3.727 5.440 1.00 0.00 O HETATM 3 CH3 ACE A 1 -4.774 -2.231 3.863 1.00 0.00 C HETATM 4 H1 ACE A 1 -4.486 -1.204 4.153 1.00 0.00 H HETATM 5 H2 ACE A 1 -4.081 -2.569 3.072 1.00 0.00 H HETATM 6 H3 ACE A 1 -5.782 -2.177 3.414 1.00 0.00 H ATOM 7 N ILE A 2 -3.556 -3.351 5.631 1.00 0.00 N ATOM 8 CA ILE A 2 -3.335 -4.231 6.818 1.00 0.00 C ATOM 9 C ILE A 2 -2.177 -3.623 7.672 1.00 0.00 C ATOM 10 O ILE A 2 -2.438 -2.987 8.697 1.00 0.00 O ATOM 11 CB ILE A 2 -3.261 -5.765 6.459 1.00 0.00 C ATOM 12 CG1 ILE A 2 -3.254 -6.642 7.745 1.00 0.00 C ATOM 13 CG2 ILE A 2 -2.122 -6.171 5.483 1.00 0.00 C ATOM 14 CD1 ILE A 2 -3.404 -8.153 7.520 1.00 0.00 C ATOM 15 H ILE A 2 -2.796 -2.818 5.197 1.00 0.00 H ATOM 16 HA ILE A 2 -4.231 -4.125 7.463 1.00 0.00 H ATOM 17 HB ILE A 2 -4.206 -5.997 5.931 1.00 0.00 H ATOM 18 HG12 ILE A 2 -2.328 -6.461 8.323 1.00 0.00 H ATOM 19 HG13 ILE A 2 -4.077 -6.319 8.411 1.00 0.00 H ATOM 20 HG21 ILE A 2 -2.312 -7.162 5.032 1.00 0.00 H ATOM 21 HG22 ILE A 2 -2.014 -5.461 4.644 1.00 0.00 H ATOM 22 HG23 ILE A 2 -1.140 -6.237 5.986 1.00 0.00 H ATOM 23 HD11 ILE A 2 -2.541 -8.567 6.966 1.00 0.00 H ATOM 24 HD12 ILE A 2 -3.460 -8.690 8.483 1.00 0.00 H ATOM 25 HD13 ILE A 2 -4.318 -8.388 6.946 1.00 0.00 H ATOM 26 N TRP A 3 -0.917 -3.809 7.240 1.00 0.00 N ATOM 27 CA TRP A 3 0.298 -3.288 7.935 1.00 0.00 C ATOM 28 C TRP A 3 0.412 -1.734 8.086 1.00 0.00 C ATOM 29 O TRP A 3 0.724 -1.256 9.180 1.00 0.00 O ATOM 30 CB TRP A 3 1.572 -3.940 7.317 1.00 0.00 C ATOM 31 CG TRP A 3 1.888 -3.670 5.830 1.00 0.00 C ATOM 32 CD1 TRP A 3 1.356 -4.379 4.729 1.00 0.00 C ATOM 33 CD2 TRP A 3 2.759 -2.743 5.281 1.00 0.00 C ATOM 34 NE1 TRP A 3 1.864 -3.910 3.505 1.00 0.00 N ATOM 35 CE2 TRP A 3 2.736 -2.899 3.870 1.00 0.00 C ATOM 36 CE3 TRP A 3 3.610 -1.778 5.881 1.00 0.00 C ATOM 37 CZ2 TRP A 3 3.571 -2.101 3.053 1.00 0.00 C ATOM 38 CZ3 TRP A 3 4.423 -1.002 5.055 1.00 0.00 C ATOM 39 CH2 TRP A 3 4.410 -1.168 3.664 1.00 0.00 C ATOM 40 H TRP A 3 -0.857 -4.506 6.489 1.00 0.00 H ATOM 41 HA TRP A 3 0.248 -3.679 8.970 1.00 0.00 H ATOM 42 HB2 TRP A 3 2.447 -3.645 7.925 1.00 0.00 H ATOM 43 HB3 TRP A 3 1.514 -5.036 7.462 1.00 0.00 H ATOM 44 HD1 TRP A 3 0.659 -5.199 4.810 1.00 0.00 H ATOM 45 HE1 TRP A 3 1.687 -4.277 2.563 1.00 0.00 H ATOM 46 HE3 TRP A 3 3.639 -1.648 6.954 1.00 0.00 H ATOM 47 HZ2 TRP A 3 3.568 -2.215 1.979 1.00 0.00 H ATOM 48 HZ3 TRP A 3 5.077 -0.264 5.495 1.00 0.00 H ATOM 49 HH2 TRP A 3 5.054 -0.552 3.052 1.00 0.00 H ATOM 50 N GLY A 4 0.174 -0.968 7.008 1.00 0.00 N ATOM 51 CA GLY A 4 0.251 0.507 7.041 1.00 0.00 C ATOM 52 C GLY A 4 -0.042 1.061 5.640 1.00 0.00 C ATOM 53 O GLY A 4 -1.206 1.119 5.232 1.00 0.00 O ATOM 54 H GLY A 4 -0.066 -1.493 6.160 1.00 0.00 H ATOM 55 HA2 GLY A 4 -0.496 0.909 7.752 1.00 0.00 H ATOM 56 HA3 GLY A 4 1.240 0.837 7.418 1.00 0.00 H ATOM 57 N ASP A 5 1.014 1.480 4.919 1.00 0.00 N ATOM 58 CA ASP A 5 0.889 2.012 3.534 1.00 0.00 C ATOM 59 C ASP A 5 2.209 1.713 2.739 1.00 0.00 C ATOM 60 O ASP A 5 3.304 1.740 3.315 1.00 0.00 O ATOM 61 CB ASP A 5 0.552 3.535 3.522 1.00 0.00 C ATOM 62 CG ASP A 5 0.114 4.075 2.144 1.00 0.00 C ATOM 63 OD1 ASP A 5 0.933 4.620 1.400 1.00 0.00 O ATOM 64 H ASP A 5 1.927 1.361 5.373 1.00 0.00 H ATOM 65 HA ASP A 5 0.027 1.465 3.098 1.00 0.00 H ATOM 66 HB2 ASP A 5 -0.242 3.752 4.260 1.00 0.00 H ATOM 67 HB3 ASP A 5 1.431 4.112 3.866 1.00 0.00 H ATOM 68 N SER A 6 2.132 1.488 1.406 1.00 0.00 N ATOM 69 CA SER A 6 3.326 1.201 0.563 1.00 0.00 C ATOM 70 C SER A 6 4.293 2.409 0.332 1.00 0.00 C ATOM 71 O SER A 6 5.499 2.250 0.540 1.00 0.00 O ATOM 72 CB SER A 6 2.831 0.575 -0.762 1.00 0.00 C ATOM 73 OG SER A 6 3.921 0.101 -1.548 1.00 0.00 O ATOM 74 H SER A 6 1.235 1.677 0.946 1.00 0.00 H ATOM 75 HA SER A 6 3.912 0.412 1.074 1.00 0.00 H ATOM 76 HB2 SER A 6 2.145 -0.272 -0.567 1.00 0.00 H ATOM 77 HB3 SER A 6 2.249 1.307 -1.354 1.00 0.00 H ATOM 78 HG SER A 6 4.375 -0.556 -1.015 1.00 0.00 H ATOM 79 N GLY A 7 3.787 3.584 -0.096 1.00 0.00 N ATOM 80 CA GLY A 7 4.621 4.785 -0.355 1.00 0.00 C ATOM 81 C GLY A 7 5.122 4.916 -1.810 1.00 0.00 C ATOM 82 O GLY A 7 6.331 5.003 -2.038 1.00 0.00 O ATOM 83 H GLY A 7 2.771 3.603 -0.232 1.00 0.00 H ATOM 84 HA2 GLY A 7 4.028 5.683 -0.102 1.00 0.00 H ATOM 85 HA3 GLY A 7 5.484 4.822 0.339 1.00 0.00 H ATOM 86 N LYS A 8 4.187 4.940 -2.778 1.00 0.00 N ATOM 87 CA LYS A 8 4.495 5.059 -4.230 1.00 0.00 C ATOM 88 C LYS A 8 3.202 5.528 -4.967 1.00 0.00 C ATOM 89 O LYS A 8 3.162 6.660 -5.456 1.00 0.00 O ATOM 90 CB LYS A 8 5.134 3.754 -4.804 1.00 0.00 C ATOM 91 CG LYS A 8 5.640 3.867 -6.260 1.00 0.00 C ATOM 92 CD LYS A 8 6.288 2.563 -6.767 1.00 0.00 C ATOM 93 CE LYS A 8 6.790 2.681 -8.217 1.00 0.00 C ATOM 94 NZ LYS A 8 7.407 1.416 -8.669 1.00 0.00 N ATOM 95 H LYS A 8 3.224 4.866 -2.434 1.00 0.00 H ATOM 96 HA LYS A 8 5.241 5.870 -4.349 1.00 0.00 H ATOM 97 HB2 LYS A 8 5.990 3.459 -4.166 1.00 0.00 H ATOM 98 HB3 LYS A 8 4.417 2.915 -4.720 1.00 0.00 H ATOM 99 HG2 LYS A 8 4.799 4.144 -6.924 1.00 0.00 H ATOM 100 HG3 LYS A 8 6.367 4.699 -6.331 1.00 0.00 H ATOM 101 HD2 LYS A 8 7.127 2.288 -6.098 1.00 0.00 H ATOM 102 HD3 LYS A 8 5.555 1.736 -6.687 1.00 0.00 H ATOM 103 HE2 LYS A 8 5.955 2.948 -8.894 1.00 0.00 H ATOM 104 HE3 LYS A 8 7.527 3.503 -8.304 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.749 1.475 -9.635 1.00 0.00 H ATOM 106 HZ2 LYS A 8 8.208 1.152 -8.084 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.743 0.634 -8.634 1.00 0.00 H ATOM 108 N LEU A 9 2.167 4.663 -5.058 1.00 0.00 N ATOM 109 CA LEU A 9 0.877 4.983 -5.728 1.00 0.00 C ATOM 110 C LEU A 9 -0.289 4.298 -4.951 1.00 0.00 C ATOM 111 O LEU A 9 -1.096 5.001 -4.336 1.00 0.00 O ATOM 112 CB LEU A 9 0.957 4.645 -7.250 1.00 0.00 C ATOM 113 CG LEU A 9 -0.277 5.014 -8.122 1.00 0.00 C ATOM 114 CD1 LEU A 9 -0.513 6.535 -8.218 1.00 0.00 C ATOM 115 CD2 LEU A 9 -0.135 4.420 -9.536 1.00 0.00 C ATOM 116 H LEU A 9 2.329 3.759 -4.602 1.00 0.00 H ATOM 117 HA LEU A 9 0.702 6.074 -5.643 1.00 0.00 H ATOM 118 HB2 LEU A 9 1.850 5.136 -7.684 1.00 0.00 H ATOM 119 HB3 LEU A 9 1.160 3.561 -7.356 1.00 0.00 H ATOM 120 HG LEU A 9 -1.177 4.559 -7.668 1.00 0.00 H ATOM 121 HD11 LEU A 9 0.359 7.066 -8.645 1.00 0.00 H ATOM 122 HD12 LEU A 9 -1.386 6.774 -8.854 1.00 0.00 H ATOM 123 HD13 LEU A 9 -0.718 6.983 -7.229 1.00 0.00 H ATOM 124 HD21 LEU A 9 0.744 4.823 -10.073 1.00 0.00 H ATOM 125 HD22 LEU A 9 -0.025 3.320 -9.507 1.00 0.00 H ATOM 126 HD23 LEU A 9 -1.025 4.630 -10.159 1.00 0.00 H ATOM 127 N ILE A 10 -0.377 2.949 -4.968 1.00 0.00 N ATOM 128 CA ILE A 10 -1.445 2.181 -4.264 1.00 0.00 C ATOM 129 C ILE A 10 -1.010 1.925 -2.785 1.00 0.00 C ATOM 130 O ILE A 10 -0.134 1.097 -2.517 1.00 0.00 O ATOM 131 CB ILE A 10 -1.840 0.915 -5.112 1.00 0.00 C ATOM 132 CG1 ILE A 10 -3.193 0.257 -4.707 1.00 0.00 C ATOM 133 CG2 ILE A 10 -0.727 -0.144 -5.337 1.00 0.00 C ATOM 134 CD1 ILE A 10 -3.226 -0.621 -3.443 1.00 0.00 C ATOM 135 H ILE A 10 0.351 2.480 -5.516 1.00 0.00 H ATOM 136 HA ILE A 10 -2.360 2.809 -4.257 1.00 0.00 H ATOM 137 HB ILE A 10 -2.049 1.310 -6.126 1.00 0.00 H ATOM 138 HG12 ILE A 10 -3.966 1.042 -4.610 1.00 0.00 H ATOM 139 HG13 ILE A 10 -3.545 -0.365 -5.551 1.00 0.00 H ATOM 140 HG21 ILE A 10 0.188 0.303 -5.767 1.00 0.00 H ATOM 141 HG22 ILE A 10 -0.431 -0.647 -4.398 1.00 0.00 H ATOM 142 HG23 ILE A 10 -1.053 -0.934 -6.038 1.00 0.00 H ATOM 143 HD11 ILE A 10 -2.537 -1.482 -3.519 1.00 0.00 H ATOM 144 HD12 ILE A 10 -2.955 -0.059 -2.534 1.00 0.00 H ATOM 145 HD13 ILE A 10 -4.237 -1.036 -3.276 1.00 0.00 H HETATM 146 N SET A 11 -1.627 2.654 -1.834 1.00 0.00 N HETATM 147 CA SET A 11 -1.316 2.517 -0.381 1.00 0.00 C HETATM 148 CB SET A 11 -2.007 1.314 0.327 1.00 0.00 C HETATM 149 OG SET A 11 -1.316 0.622 1.079 1.00 0.00 O HETATM 150 NT SET A 11 -1.158 3.837 1.797 1.00 0.00 N HETATM 151 C SET A 11 -1.602 3.851 0.367 1.00 0.00 C HETATM 152 H SET A 11 -2.288 3.353 -2.191 1.00 0.00 H HETATM 153 HA SET A 11 -0.223 2.354 -0.294 1.00 0.00 H HETATM 154 HB2 SET A 11 -1.128 4.686 -0.188 1.00 0.00 H HETATM 155 HB3 SET A 11 -2.688 4.062 0.316 1.00 0.00 H HETATM 156 HNT2 SET A 11 -1.686 3.371 2.552 1.00 0.00 H ATOM 157 N THR A 12 -3.327 1.089 0.135 1.00 0.00 N ATOM 158 CA THR A 12 -4.072 -0.028 0.791 1.00 0.00 C ATOM 159 C THR A 12 -3.716 -1.427 0.189 1.00 0.00 C ATOM 160 O THR A 12 -4.474 -2.027 -0.581 1.00 0.00 O ATOM 161 CB THR A 12 -5.608 0.246 0.805 1.00 0.00 C ATOM 162 OG1 THR A 12 -6.112 0.406 -0.520 1.00 0.00 O ATOM 163 CG2 THR A 12 -6.046 1.459 1.645 1.00 0.00 C ATOM 164 H THR A 12 -3.803 1.775 -0.460 1.00 0.00 H ATOM 165 HA THR A 12 -3.775 -0.049 1.860 1.00 0.00 H ATOM 166 HB THR A 12 -6.109 -0.636 1.249 1.00 0.00 H ATOM 167 HG1 THR A 12 -5.873 -0.397 -0.992 1.00 0.00 H ATOM 168 HG21 THR A 12 -7.146 1.563 1.655 1.00 0.00 H ATOM 169 HG22 THR A 12 -5.718 1.366 2.697 1.00 0.00 H ATOM 170 HG23 THR A 12 -5.633 2.406 1.251 1.00 0.00 H ATOM 171 N THR A 13 -2.540 -1.930 0.596 1.00 0.00 N ATOM 172 CA THR A 13 -1.993 -3.242 0.157 1.00 0.00 C ATOM 173 C THR A 13 -2.345 -4.313 1.232 1.00 0.00 C ATOM 174 O THR A 13 -1.544 -4.630 2.119 1.00 0.00 O ATOM 175 CB THR A 13 -0.464 -3.144 -0.144 1.00 0.00 C ATOM 176 OG1 THR A 13 0.257 -2.639 0.979 1.00 0.00 O ATOM 177 CG2 THR A 13 -0.108 -2.284 -1.369 1.00 0.00 C ATOM 178 H THR A 13 -1.958 -1.214 1.050 1.00 0.00 H ATOM 179 HA THR A 13 -2.466 -3.547 -0.800 1.00 0.00 H ATOM 180 HB THR A 13 -0.090 -4.165 -0.352 1.00 0.00 H ATOM 181 HG1 THR A 13 -0.033 -3.157 1.735 1.00 0.00 H ATOM 182 HG21 THR A 13 -0.407 -1.228 -1.229 1.00 0.00 H ATOM 183 HG22 THR A 13 0.980 -2.290 -1.562 1.00 0.00 H ATOM 184 HG23 THR A 13 -0.605 -2.650 -2.286 1.00 0.00 H ATOM 185 N ALA A 14 -3.572 -4.852 1.126 1.00 0.00 N ATOM 186 CA ALA A 14 -4.097 -5.881 2.056 1.00 0.00 C ATOM 187 C ALA A 14 -3.683 -7.301 1.608 1.00 0.00 C ATOM 188 O ALA A 14 -4.114 -7.861 0.599 1.00 0.00 O ATOM 189 CB ALA A 14 -5.626 -5.734 2.142 1.00 0.00 C ATOM 190 OXT ALA A 14 -2.769 -7.866 2.458 1.00 0.00 O ATOM 191 H ALA A 14 -4.163 -4.369 0.440 1.00 0.00 H ATOM 192 HA ALA A 14 -3.708 -5.695 3.075 1.00 0.00 H ATOM 193 HB1 ALA A 14 -5.924 -4.728 2.495 1.00 0.00 H ATOM 194 HB2 ALA A 14 -6.123 -5.900 1.167 1.00 0.00 H ATOM 195 HB3 ALA A 14 -6.061 -6.457 2.857 1.00 0.00 H ATOM 196 HXT ALA A 14 -2.517 -8.743 2.163 1.00 0.00 H TER 197 ALA A 14