HETATM 1 C ACE A 1 1.561 0.928 -2.228 1.00 25.32 C HETATM 2 O ACE A 1 1.812 2.132 -2.185 1.00 50.41 O HETATM 3 CH3 ACE A 1 2.153 -0.022 -1.205 1.00 14.33 C HETATM 4 H1 ACE A 1 3.224 -0.064 -1.328 1.00 4.52 H HETATM 5 H2 ACE A 1 1.735 -1.008 -1.344 1.00 42.02 H HETATM 6 H3 ACE A 1 1.918 0.330 -0.210 1.00 25.24 H ATOM 7 N PHE A 2 0.776 0.385 -3.152 1.00 33.12 N ATOM 8 CA PHE A 2 0.149 1.192 -4.193 1.00 22.24 C ATOM 9 C PHE A 2 -0.835 2.189 -3.589 1.00 11.21 C ATOM 10 O PHE A 2 -0.734 3.394 -3.819 1.00 21.13 O ATOM 11 CB PHE A 2 -0.571 0.293 -5.200 1.00 12.12 C ATOM 12 CG PHE A 2 -0.898 0.984 -6.493 1.00 21.20 C ATOM 13 CD1 PHE A 2 0.085 1.656 -7.202 1.00 54.00 C ATOM 14 CD2 PHE A 2 -2.187 0.960 -7.000 1.00 11.32 C ATOM 15 CE1 PHE A 2 -0.214 2.293 -8.392 1.00 4.03 C ATOM 16 CE2 PHE A 2 -2.491 1.595 -8.189 1.00 53.23 C ATOM 17 CZ PHE A 2 -1.503 2.262 -8.887 1.00 22.54 C ATOM 18 H PHE A 2 0.614 -0.582 -3.134 1.00 13.14 H ATOM 19 HA PHE A 2 0.929 1.737 -4.702 1.00 74.23 H ATOM 20 HB2 PHE A 2 0.056 -0.556 -5.427 1.00 11.20 H ATOM 21 HB3 PHE A 2 -1.496 -0.054 -4.764 1.00 51.24 H ATOM 22 HD1 PHE A 2 1.093 1.681 -6.817 1.00 24.30 H ATOM 23 HD2 PHE A 2 -2.962 0.439 -6.455 1.00 25.32 H ATOM 24 HE1 PHE A 2 0.561 2.813 -8.935 1.00 41.12 H ATOM 25 HE2 PHE A 2 -3.500 1.568 -8.573 1.00 53.42 H ATOM 26 HZ PHE A 2 -1.738 2.759 -9.816 1.00 33.33 H HETATM 27 N AIB A 3 -1.788 1.678 -2.816 1.00 25.40 N HETATM 28 CA AIB A 3 -2.791 2.522 -2.179 1.00 41.44 C HETATM 29 C AIB A 3 -2.098 3.630 -1.393 1.00 1.10 C HETATM 30 O AIB A 3 -2.441 4.805 -1.522 1.00 73.34 O HETATM 31 CB1 AIB A 3 -3.638 1.680 -1.232 1.00 21.42 C HETATM 32 CB2 AIB A 3 -3.686 3.141 -3.248 1.00 13.13 C HETATM 33 H AIB A 3 -1.816 0.709 -2.670 1.00 50.14 H HETATM 34 HB11 AIB A 3 -3.507 0.633 -1.466 1.00 0.42 H HETATM 35 HB12 AIB A 3 -4.678 1.946 -1.345 1.00 53.42 H HETATM 36 HB13 AIB A 3 -3.328 1.862 -0.213 1.00 54.23 H HETATM 37 HB21 AIB A 3 -3.964 2.385 -3.967 1.00 61.20 H HETATM 38 HB22 AIB A 3 -3.153 3.936 -3.748 1.00 71.34 H HETATM 39 HB23 AIB A 3 -4.576 3.541 -2.784 1.00 70.12 H HETATM 40 N AIB A 4 -1.121 3.248 -0.578 1.00 23.54 N HETATM 41 CA AIB A 4 -0.379 4.209 0.230 1.00 33.40 C HETATM 42 C AIB A 4 0.347 5.189 -0.685 1.00 74.13 C HETATM 43 O AIB A 4 0.444 6.378 -0.384 1.00 43.15 O HETATM 44 CB1 AIB A 4 0.638 3.470 1.093 1.00 63.32 C HETATM 45 CB2 AIB A 4 -1.347 4.972 1.127 1.00 13.44 C HETATM 46 H AIB A 4 -0.893 2.296 -0.518 1.00 0.52 H HETATM 47 HB11 AIB A 4 1.543 3.309 0.525 1.00 52.12 H HETATM 48 HB12 AIB A 4 0.229 2.517 1.396 1.00 44.14 H HETATM 49 HB13 AIB A 4 0.863 4.060 1.969 1.00 64.30 H HETATM 50 HB21 AIB A 4 -0.793 5.495 1.892 1.00 3.45 H HETATM 51 HB22 AIB A 4 -2.033 4.278 1.591 1.00 42.23 H HETATM 52 HB23 AIB A 4 -1.902 5.685 0.535 1.00 71.55 H HETATM 53 N AIB A 5 0.854 4.681 -1.804 1.00 2.42 N HETATM 54 CA AIB A 5 1.571 5.512 -2.763 1.00 43.42 C HETATM 55 C AIB A 5 0.687 6.682 -3.184 1.00 23.25 C HETATM 56 O AIB A 5 1.180 7.770 -3.481 1.00 31.43 O HETATM 57 CB1 AIB A 5 1.929 4.679 -3.989 1.00 45.55 C HETATM 58 CB2 AIB A 5 2.847 6.045 -2.120 1.00 44.33 C HETATM 59 H AIB A 5 0.744 3.725 -1.988 1.00 53.40 H HETATM 60 HB11 AIB A 5 3.003 4.645 -4.100 1.00 63.30 H HETATM 61 HB12 AIB A 5 1.491 5.127 -4.869 1.00 43.22 H HETATM 62 HB13 AIB A 5 1.547 3.677 -3.868 1.00 24.44 H HETATM 63 HB21 AIB A 5 2.594 6.788 -1.378 1.00 52.14 H HETATM 64 HB22 AIB A 5 3.473 6.493 -2.879 1.00 31.24 H HETATM 65 HB23 AIB A 5 3.379 5.232 -1.649 1.00 4.35 H HETATM 66 N DIV A 6 -0.621 6.450 -3.206 1.00 31.31 N HETATM 67 CA DIV A 6 -1.574 7.484 -3.590 1.00 11.11 C HETATM 68 CB1 DIV A 6 -1.405 7.806 -5.071 1.00 13.41 C HETATM 69 CG1 DIV A 6 -1.356 6.582 -5.959 1.00 10.42 C HETATM 70 CB2 DIV A 6 -2.993 6.987 -3.336 1.00 54.13 C HETATM 71 C DIV A 6 -1.320 8.741 -2.764 1.00 74.20 C HETATM 72 O DIV A 6 -1.523 9.858 -3.237 1.00 43.23 O HETATM 73 H DIV A 6 -0.953 5.562 -2.958 1.00 73.13 H HETATM 74 HB11 DIV A 6 -0.490 8.363 -5.213 1.00 35.33 H HETATM 75 HB12 DIV A 6 -2.227 8.426 -5.397 1.00 12.41 H HETATM 76 HG11 DIV A 6 -1.978 5.806 -5.537 1.00 5.31 H HETATM 77 HG12 DIV A 6 -0.338 6.229 -6.029 1.00 42.53 H HETATM 78 HG13 DIV A 6 -1.718 6.837 -6.944 1.00 3.41 H HETATM 79 HB21 DIV A 6 -3.082 5.964 -3.671 1.00 2.01 H HETATM 80 HB22 DIV A 6 -3.693 7.605 -3.879 1.00 15.10 H HETATM 81 HB23 DIV A 6 -3.210 7.040 -2.280 1.00 11.44 H ATOM 82 N GLY A 7 -0.876 8.550 -1.526 1.00 23.54 N ATOM 83 CA GLY A 7 -0.602 9.677 -0.653 1.00 63.44 C ATOM 84 C GLY A 7 0.346 10.679 -1.282 1.00 13.21 C ATOM 85 O GLY A 7 0.235 11.883 -1.044 1.00 62.21 O ATOM 86 H GLY A 7 -0.733 7.636 -1.202 1.00 24.44 H ATOM 87 HA2 GLY A 7 -1.532 10.173 -0.421 1.00 72.32 H ATOM 88 HA3 GLY A 7 -0.163 9.310 0.263 1.00 64.43 H ATOM 89 N LEU A 8 1.281 10.184 -2.085 1.00 53.01 N ATOM 90 CA LEU A 8 2.253 11.045 -2.749 1.00 43.11 C ATOM 91 C LEU A 8 1.620 11.771 -3.932 1.00 1.13 C ATOM 92 O LEU A 8 2.098 12.823 -4.355 1.00 64.35 O ATOM 93 CB LEU A 8 3.452 10.222 -3.224 1.00 2.13 C ATOM 94 CG LEU A 8 4.617 10.103 -2.240 1.00 14.23 C ATOM 95 CD1 LEU A 8 4.357 8.989 -1.238 1.00 11.14 C ATOM 96 CD2 LEU A 8 5.921 9.860 -2.984 1.00 43.02 C ATOM 97 H LEU A 8 1.319 9.217 -2.236 1.00 72.11 H ATOM 98 HA LEU A 8 2.591 11.778 -2.031 1.00 63.25 H ATOM 99 HB2 LEU A 8 3.103 9.225 -3.444 1.00 15.32 H ATOM 100 HB3 LEU A 8 3.828 10.678 -4.129 1.00 13.12 H ATOM 101 HG LEU A 8 4.712 11.030 -1.691 1.00 34.15 H ATOM 102 HD11 LEU A 8 5.060 9.067 -0.423 1.00 2.15 H ATOM 103 HD12 LEU A 8 4.475 8.032 -1.725 1.00 13.44 H ATOM 104 HD13 LEU A 8 3.350 9.076 -0.855 1.00 44.53 H ATOM 105 HD21 LEU A 8 5.722 9.297 -3.884 1.00 40.43 H ATOM 106 HD22 LEU A 8 6.597 9.301 -2.353 1.00 1.41 H ATOM 107 HD23 LEU A 8 6.370 10.807 -3.243 1.00 52.53 H HETATM 108 N AIB A 9 0.540 11.203 -4.459 1.00 2.24 N HETATM 109 CA AIB A 9 -0.160 11.797 -5.591 1.00 10.51 C HETATM 110 C AIB A 9 -1.100 12.890 -5.091 1.00 24.20 C HETATM 111 O AIB A 9 -1.565 13.724 -5.866 1.00 41.53 O HETATM 112 CB1 AIB A 9 -0.968 10.722 -6.310 1.00 44.33 C HETATM 113 CB2 AIB A 9 0.855 12.402 -6.556 1.00 34.03 C HETATM 114 H AIB A 9 0.207 10.365 -4.077 1.00 33.21 H HETATM 115 HB11 AIB A 9 -0.316 9.905 -6.584 1.00 12.41 H HETATM 116 HB12 AIB A 9 -1.413 11.142 -7.201 1.00 24.45 H HETATM 117 HB13 AIB A 9 -1.746 10.358 -5.656 1.00 0.41 H HETATM 118 HB21 AIB A 9 1.775 11.839 -6.509 1.00 41.05 H HETATM 119 HB22 AIB A 9 1.046 13.429 -6.280 1.00 62.41 H HETATM 120 HB23 AIB A 9 0.461 12.367 -7.561 1.00 30.42 H HETATM 121 N AIB A 10 -1.374 12.878 -3.791 1.00 32.43 N HETATM 122 CA AIB A 10 -2.258 13.867 -3.187 1.00 54.33 C HETATM 123 C AIB A 10 -1.704 15.265 -3.439 1.00 43.34 C HETATM 124 O AIB A 10 -2.383 16.142 -3.973 1.00 51.51 O HETATM 125 CB1 AIB A 10 -2.349 13.620 -1.685 1.00 60.53 C HETATM 126 CB2 AIB A 10 -3.648 13.752 -3.806 1.00 44.41 C HETATM 127 H AIB A 10 -0.973 12.187 -3.224 1.00 23.41 H HETATM 128 HB11 AIB A 10 -3.387 13.583 -1.388 1.00 43.13 H HETATM 129 HB12 AIB A 10 -1.851 14.420 -1.158 1.00 34.12 H HETATM 130 HB13 AIB A 10 -1.873 12.680 -1.446 1.00 42.10 H HETATM 131 HB21 AIB A 10 -3.598 14.014 -4.853 1.00 31.31 H HETATM 132 HB22 AIB A 10 -4.324 14.424 -3.299 1.00 13.10 H HETATM 133 HB23 AIB A 10 -4.004 12.738 -3.705 1.00 20.13 H HETATM 134 N HYP A 11 -0.439 15.480 -3.047 1.00 52.21 N HETATM 135 CA HYP A 11 0.235 16.770 -3.221 1.00 2.10 C HETATM 136 C HYP A 11 0.208 17.248 -4.669 1.00 23.12 C HETATM 137 O HYP A 11 0.425 18.427 -4.946 1.00 44.02 O HETATM 138 CB HYP A 11 1.672 16.481 -2.780 1.00 2.42 C HETATM 139 CG HYP A 11 1.565 15.284 -1.900 1.00 0.13 C HETATM 140 CD HYP A 11 0.430 14.480 -2.404 1.00 52.32 C HETATM 141 OD1 HYP A 11 1.836 15.623 -0.534 1.00 64.01 O HETATM 142 HA HYP A 11 -0.193 17.531 -2.584 1.00 63.52 H HETATM 143 HB2 HYP A 11 2.285 16.281 -3.648 1.00 14.22 H HETATM 144 HB3 HYP A 11 2.066 17.332 -2.243 1.00 74.52 H HETATM 145 HG HYP A 11 2.258 14.529 -2.240 1.00 74.34 H HETATM 146 HD22 HYP A 11 0.636 13.660 -3.075 1.00 73.34 H HETATM 147 HD23 HYP A 11 -0.012 14.119 -1.488 1.00 35.44 H HETATM 148 HD1 HYP A 11 1.191 15.199 0.036 1.00 73.23 H ATOM 149 N GLN A 12 -0.060 16.325 -5.587 1.00 22.12 N ATOM 150 CA GLN A 12 -0.115 16.653 -7.006 1.00 44.54 C ATOM 151 C GLN A 12 -1.517 17.100 -7.408 1.00 64.31 C ATOM 152 O GLN A 12 -1.707 17.705 -8.462 1.00 54.51 O ATOM 153 CB GLN A 12 0.310 15.448 -7.847 1.00 44.31 C ATOM 154 CG GLN A 12 1.816 15.250 -7.908 1.00 63.22 C ATOM 155 CD GLN A 12 2.515 16.326 -8.715 1.00 54.43 C ATOM 156 OE1 GLN A 12 2.406 16.368 -9.941 1.00 52.41 O ATOM 157 NE2 GLN A 12 3.237 17.205 -8.030 1.00 64.04 N ATOM 158 H GLN A 12 -0.224 15.402 -5.303 1.00 40.10 H ATOM 159 HA GLN A 12 0.573 17.466 -7.185 1.00 61.02 H ATOM 160 HB2 GLN A 12 -0.132 14.557 -7.427 1.00 51.43 H ATOM 161 HB3 GLN A 12 -0.054 15.581 -8.855 1.00 52.10 H ATOM 162 HG2 GLN A 12 2.210 15.264 -6.903 1.00 34.15 H ATOM 163 HG3 GLN A 12 2.022 14.291 -8.360 1.00 73.24 H ATOM 164 HE21 GLN A 12 3.280 17.109 -7.055 1.00 53.14 H ATOM 165 HE22 GLN A 12 3.700 17.911 -8.527 1.00 20.13 H HETATM 166 N DIV A 13 -2.494 16.796 -6.561 1.00 74.50 N HETATM 167 CA DIV A 13 -3.879 17.165 -6.828 1.00 52.03 C HETATM 168 CB1 DIV A 13 -4.323 16.550 -8.151 1.00 74.50 C HETATM 169 CG1 DIV A 13 -3.628 15.247 -8.481 1.00 31.24 C HETATM 170 CB2 DIV A 13 -4.769 16.648 -5.703 1.00 14.51 C HETATM 171 C DIV A 13 -3.993 18.684 -6.910 1.00 73.45 C HETATM 172 O DIV A 13 -4.541 19.239 -7.863 1.00 60.22 O HETATM 173 H DIV A 13 -2.279 16.311 -5.737 1.00 15.31 H HETATM 174 HB11 DIV A 13 -4.129 17.247 -8.952 1.00 51.41 H HETATM 175 HB12 DIV A 13 -5.387 16.365 -8.119 1.00 40.33 H HETATM 176 HG11 DIV A 13 -4.221 14.692 -9.193 1.00 11.41 H HETATM 177 HG12 DIV A 13 -3.510 14.664 -7.579 1.00 71.32 H HETATM 178 HG13 DIV A 13 -2.657 15.454 -8.905 1.00 1.42 H HETATM 179 HB21 DIV A 13 -5.003 17.459 -5.028 1.00 23.53 H HETATM 180 HB22 DIV A 13 -4.252 15.868 -5.164 1.00 53.31 H HETATM 181 HB23 DIV A 13 -5.684 16.253 -6.120 1.00 23.31 H HETATM 182 N HYP A 14 -3.465 19.373 -5.889 1.00 5.22 N HETATM 183 CA HYP A 14 -3.494 20.837 -5.823 1.00 11.44 C HETATM 184 C HYP A 14 -2.368 21.477 -6.627 1.00 62.12 C HETATM 185 O HYP A 14 -2.293 22.700 -6.745 1.00 33.40 O HETATM 186 CB HYP A 14 -3.317 21.129 -4.330 1.00 73.42 C HETATM 187 CG HYP A 14 -2.632 19.922 -3.787 1.00 51.25 C HETATM 188 CD HYP A 14 -2.796 18.777 -4.720 1.00 34.21 C HETATM 189 OD1 HYP A 14 -3.122 19.596 -2.481 1.00 3.12 O HETATM 190 HA HYP A 14 -4.443 21.231 -6.158 1.00 23.41 H HETATM 191 HB2 HYP A 14 -2.715 22.017 -4.203 1.00 63.02 H HETATM 192 HB3 HYP A 14 -4.284 21.274 -3.871 1.00 65.51 H HETATM 193 HG HYP A 14 -1.568 20.103 -3.752 1.00 1.14 H HETATM 194 HD22 HYP A 14 -1.850 18.338 -4.999 1.00 2.22 H HETATM 195 HD23 HYP A 14 -3.431 18.041 -4.248 1.00 1.11 H HETATM 196 HD1 HYP A 14 -4.080 19.657 -2.473 1.00 62.43 H HETATM 197 N AIB A 15 -1.493 20.642 -7.180 1.00 15.24 N HETATM 198 CA AIB A 15 -0.371 21.127 -7.974 1.00 31.13 C HETATM 199 C AIB A 15 -0.891 22.008 -9.104 1.00 54.14 C HETATM 200 O AIB A 15 -0.512 23.171 -9.243 1.00 11.34 O HETATM 201 CB1 AIB A 15 0.386 19.940 -8.561 1.00 40.51 C HETATM 202 CB2 AIB A 15 0.566 21.939 -7.086 1.00 43.14 C HETATM 203 H AIB A 15 -1.606 19.678 -7.050 1.00 31.41 H HETATM 204 HB11 AIB A 15 0.254 19.924 -9.633 1.00 32.11 H HETATM 205 HB12 AIB A 15 0.004 19.024 -8.137 1.00 34.21 H HETATM 206 HB13 AIB A 15 1.437 20.033 -8.329 1.00 52.54 H HETATM 207 HB21 AIB A 15 0.960 21.307 -6.305 1.00 21.44 H HETATM 208 HB22 AIB A 15 0.022 22.761 -6.645 1.00 30.23 H HETATM 209 HB23 AIB A 15 1.381 22.325 -7.681 1.00 54.45 H ATOM 210 N PRO A 16 -1.781 21.443 -9.934 1.00 13.22 N ATOM 211 CA PRO A 16 -2.373 22.160 -11.067 1.00 54.21 C ATOM 212 C PRO A 16 -3.417 23.181 -10.626 1.00 60.31 C ATOM 213 O PRO A 16 -3.880 23.995 -11.425 1.00 42.10 O ATOM 214 CB PRO A 16 -3.028 21.047 -11.888 1.00 70.44 C ATOM 215 CG PRO A 16 -3.315 19.967 -10.902 1.00 41.34 C ATOM 216 CD PRO A 16 -2.279 20.061 -9.829 1.00 4.12 C ATOM 217 HA PRO A 16 -1.619 22.653 -11.663 1.00 22.03 H ATOM 218 HB2 PRO A 16 -3.935 21.418 -12.344 1.00 72.12 H ATOM 219 HB3 PRO A 16 -2.345 20.710 -12.654 1.00 54.21 H ATOM 220 HG2 PRO A 16 -4.296 20.111 -10.475 1.00 44.23 H ATOM 221 HG3 PRO A 16 -3.252 19.003 -11.385 1.00 51.33 H ATOM 222 HD2 PRO A 16 -2.738 19.888 -8.867 1.00 4.54 H ATOM 223 HD3 PRO A 16 -1.483 19.352 -10.002 1.00 62.30 H HETATM 224 N PHL A 17 -3.783 23.132 -9.350 1.00 33.34 N HETATM 225 CA PHL A 17 -4.773 24.052 -8.802 1.00 52.14 C HETATM 226 C PHL A 17 -4.136 24.995 -7.786 1.00 42.44 C HETATM 227 O PHL A 17 -4.755 26.287 -7.824 1.00 43.31 O HETATM 228 CB PHL A 17 -5.916 23.275 -8.146 1.00 70.53 C HETATM 229 CG PHL A 17 -7.028 22.929 -9.095 1.00 13.22 C HETATM 230 CD1 PHL A 17 -6.907 21.858 -9.965 1.00 31.21 C HETATM 231 CD2 PHL A 17 -8.195 23.677 -9.117 1.00 21.43 C HETATM 232 CE1 PHL A 17 -7.929 21.537 -10.839 1.00 2.02 C HETATM 233 CE2 PHL A 17 -9.220 23.360 -9.988 1.00 50.40 C HETATM 234 CZ PHL A 17 -9.086 22.290 -10.851 1.00 14.11 C HETATM 235 H PHL A 17 -3.379 22.460 -8.762 1.00 25.44 H HETATM 236 HA PHL A 17 -5.169 24.636 -9.619 1.00 62.01 H HETATM 237 HC1 PHL A 17 -4.252 24.583 -6.795 1.00 74.42 H HETATM 238 HC2 PHL A 17 -3.086 25.106 -8.013 1.00 43.14 H HETATM 239 HO PHL A 17 -4.082 26.967 -7.741 1.00 13.34 H HETATM 240 HB2 PHL A 17 -5.528 22.352 -7.741 1.00 12.21 H HETATM 241 HB3 PHL A 17 -6.332 23.868 -7.346 1.00 75.33 H HETATM 242 HD1 PHL A 17 -6.001 21.268 -9.956 1.00 71.13 H HETATM 243 HD2 PHL A 17 -8.301 24.514 -8.443 1.00 45.54 H HETATM 244 HE1 PHL A 17 -7.821 20.700 -11.512 1.00 22.40 H HETATM 245 HE2 PHL A 17 -10.124 23.951 -9.996 1.00 31.12 H HETATM 246 HZ PHL A 17 -9.886 22.041 -11.532 1.00 71.13 H TER 247 PHL A 17