HETATM 1 C ACE A 1 1.693 0.919 -2.124 1.00 52.12 C HETATM 2 O ACE A 1 1.931 2.127 -2.092 1.00 62.52 O HETATM 3 CH3 ACE A 1 2.272 -0.012 -1.077 1.00 44.54 C HETATM 4 H1 ACE A 1 2.017 0.349 -0.092 1.00 54.14 H HETATM 5 H2 ACE A 1 3.347 -0.046 -1.181 1.00 31.14 H HETATM 6 H3 ACE A 1 1.866 -1.004 -1.213 1.00 64.15 H ATOM 7 N PHE A 2 0.930 0.357 -3.056 1.00 44.03 N ATOM 8 CA PHE A 2 0.317 1.144 -4.119 1.00 42.55 C ATOM 9 C PHE A 2 -0.688 2.140 -3.548 1.00 51.22 C ATOM 10 O PHE A 2 -0.594 3.343 -3.792 1.00 24.32 O ATOM 11 CB PHE A 2 -0.375 0.226 -5.129 1.00 1.21 C ATOM 12 CG PHE A 2 -0.681 0.897 -6.438 1.00 22.43 C ATOM 13 CD1 PHE A 2 0.338 1.225 -7.318 1.00 34.50 C ATOM 14 CD2 PHE A 2 -1.987 1.199 -6.787 1.00 40.34 C ATOM 15 CE1 PHE A 2 0.060 1.841 -8.523 1.00 55.24 C ATOM 16 CE2 PHE A 2 -2.271 1.815 -7.991 1.00 51.45 C ATOM 17 CZ PHE A 2 -1.247 2.138 -8.860 1.00 24.10 C ATOM 18 H PHE A 2 0.777 -0.611 -3.029 1.00 0.03 H ATOM 19 HA PHE A 2 1.101 1.690 -4.621 1.00 3.31 H ATOM 20 HB2 PHE A 2 0.264 -0.620 -5.332 1.00 32.33 H ATOM 21 HB3 PHE A 2 -1.306 -0.123 -4.708 1.00 4.12 H ATOM 22 HD1 PHE A 2 1.360 0.993 -7.055 1.00 64.12 H ATOM 23 HD2 PHE A 2 -2.789 0.949 -6.109 1.00 32.20 H ATOM 24 HE1 PHE A 2 0.863 2.092 -9.200 1.00 22.22 H ATOM 25 HE2 PHE A 2 -3.293 2.047 -8.252 1.00 71.32 H ATOM 26 HZ PHE A 2 -1.466 2.619 -9.801 1.00 71.03 H HETATM 27 N AIB A 3 -1.651 1.629 -2.787 1.00 43.44 N HETATM 28 CA AIB A 3 -2.674 2.473 -2.182 1.00 32.33 C HETATM 29 C AIB A 3 -2.007 3.597 -1.397 1.00 12.15 C HETATM 30 O AIB A 3 -2.359 4.767 -1.548 1.00 61.41 O HETATM 31 CB1 AIB A 3 -3.532 1.634 -1.240 1.00 3.12 C HETATM 32 CB2 AIB A 3 -3.554 3.069 -3.275 1.00 73.12 C HETATM 33 H AIB A 3 -1.673 0.663 -2.630 1.00 30.32 H HETATM 34 HB11 AIB A 3 -3.098 0.650 -1.138 1.00 11.30 H HETATM 35 HB12 AIB A 3 -4.530 1.548 -1.643 1.00 20.32 H HETATM 36 HB13 AIB A 3 -3.574 2.111 -0.271 1.00 75.35 H HETATM 37 HB21 AIB A 3 -3.011 3.848 -3.789 1.00 53.15 H HETATM 38 HB22 AIB A 3 -4.447 3.485 -2.832 1.00 72.51 H HETATM 39 HB23 AIB A 3 -3.828 2.296 -3.979 1.00 4.25 H HETATM 40 N AIB A 4 -1.043 3.235 -0.557 1.00 64.52 N HETATM 41 CA AIB A 4 -0.326 4.213 0.252 1.00 52.11 C HETATM 42 C AIB A 4 0.408 5.188 -0.662 1.00 4.21 C HETATM 43 O AIB A 4 0.489 6.382 -0.375 1.00 1.20 O HETATM 44 CB1 AIB A 4 0.681 3.495 1.144 1.00 0.31 C HETATM 45 CB2 AIB A 4 -1.319 4.979 1.120 1.00 2.30 C HETATM 46 H AIB A 4 -0.807 2.287 -0.480 1.00 73.45 H HETATM 47 HB11 AIB A 4 0.265 2.554 1.473 1.00 54.53 H HETATM 48 HB12 AIB A 4 0.903 4.110 2.004 1.00 42.54 H HETATM 49 HB13 AIB A 4 1.589 3.313 0.588 1.00 74.41 H HETATM 50 HB21 AIB A 4 -2.006 4.284 1.581 1.00 45.54 H HETATM 51 HB22 AIB A 4 -1.870 5.677 0.507 1.00 62.03 H HETATM 52 HB23 AIB A 4 -0.784 5.519 1.887 1.00 0.15 H HETATM 53 N AIB A 5 0.943 4.671 -1.763 1.00 53.03 N HETATM 54 CA AIB A 5 1.671 5.496 -2.719 1.00 51.34 C HETATM 55 C AIB A 5 0.785 6.652 -3.171 1.00 50.35 C HETATM 56 O AIB A 5 1.274 7.741 -3.472 1.00 73.13 O HETATM 57 CB1 AIB A 5 2.060 4.651 -3.928 1.00 12.11 C HETATM 58 CB2 AIB A 5 2.930 6.049 -2.059 1.00 72.41 C HETATM 59 H AIB A 5 0.845 3.712 -1.937 1.00 32.30 H HETATM 60 HB11 AIB A 5 3.136 4.626 -4.018 1.00 73.14 H HETATM 61 HB12 AIB A 5 1.633 5.083 -4.821 1.00 64.13 H HETATM 62 HB13 AIB A 5 1.686 3.646 -3.800 1.00 14.12 H HETATM 63 HB21 AIB A 5 3.601 6.421 -2.819 1.00 11.43 H HETATM 64 HB22 AIB A 5 3.418 5.263 -1.501 1.00 41.04 H HETATM 65 HB23 AIB A 5 2.662 6.852 -1.389 1.00 51.43 H HETATM 66 N DIV A 6 -0.521 6.408 -3.217 1.00 4.02 N HETATM 67 CA DIV A 6 -1.475 7.429 -3.632 1.00 61.11 C HETATM 68 CB1 DIV A 6 -1.282 7.732 -5.114 1.00 43.41 C HETATM 69 CG1 DIV A 6 -1.205 6.497 -5.984 1.00 60.10 C HETATM 70 CB2 DIV A 6 -2.894 6.923 -3.398 1.00 15.23 C HETATM 71 C DIV A 6 -1.247 8.699 -2.819 1.00 61.22 C HETATM 72 O DIV A 6 -1.445 9.808 -3.313 1.00 3.10 O HETATM 73 H DIV A 6 -0.850 5.520 -2.965 1.00 3.22 H HETATM 74 HB11 DIV A 6 -0.370 8.295 -5.247 1.00 4.31 H HETATM 75 HB12 DIV A 6 -2.103 8.340 -5.464 1.00 11.33 H HETATM 76 HG11 DIV A 6 -0.291 5.963 -5.771 1.00 23.20 H HETATM 77 HG12 DIV A 6 -1.218 6.788 -7.024 1.00 70.41 H HETATM 78 HG13 DIV A 6 -2.051 5.858 -5.778 1.00 13.50 H HETATM 79 HB21 DIV A 6 -3.587 7.510 -3.983 1.00 10.34 H HETATM 80 HB22 DIV A 6 -3.141 7.014 -2.350 1.00 44.30 H HETATM 81 HB23 DIV A 6 -2.961 5.887 -3.694 1.00 71.23 H ATOM 82 N GLY A 7 -0.829 8.528 -1.568 1.00 60.04 N ATOM 83 CA GLY A 7 -0.581 9.669 -0.707 1.00 1.12 C ATOM 84 C GLY A 7 0.357 10.679 -1.338 1.00 13.21 C ATOM 85 O GLY A 7 0.214 11.885 -1.130 1.00 31.23 O ATOM 86 H GLY A 7 -0.688 7.620 -1.228 1.00 71.41 H ATOM 87 HA2 GLY A 7 -1.521 10.153 -0.489 1.00 53.11 H ATOM 88 HA3 GLY A 7 -0.145 9.319 0.218 1.00 50.54 H ATOM 89 N LEU A 8 1.320 10.188 -2.110 1.00 13.10 N ATOM 90 CA LEU A 8 2.287 11.056 -2.773 1.00 15.52 C ATOM 91 C LEU A 8 1.655 11.760 -3.970 1.00 4.53 C ATOM 92 O LEU A 8 2.092 12.839 -4.369 1.00 1.52 O ATOM 93 CB LEU A 8 3.502 10.247 -3.226 1.00 25.51 C ATOM 94 CG LEU A 8 4.222 9.450 -2.137 1.00 70.20 C ATOM 95 CD1 LEU A 8 5.623 9.071 -2.590 1.00 44.25 C ATOM 96 CD2 LEU A 8 4.276 10.246 -0.841 1.00 75.31 C ATOM 97 H LEU A 8 1.383 9.219 -2.238 1.00 50.02 H ATOM 98 HA LEU A 8 2.606 11.802 -2.059 1.00 70.45 H ATOM 99 HB2 LEU A 8 3.173 9.550 -3.982 1.00 11.24 H ATOM 100 HB3 LEU A 8 4.215 10.935 -3.659 1.00 35.20 H ATOM 101 HG LEU A 8 3.675 8.536 -1.947 1.00 40.43 H ATOM 102 HD11 LEU A 8 5.562 8.301 -3.344 1.00 70.11 H ATOM 103 HD12 LEU A 8 6.188 8.705 -1.746 1.00 61.40 H ATOM 104 HD13 LEU A 8 6.115 9.940 -3.002 1.00 45.30 H ATOM 105 HD21 LEU A 8 5.093 9.887 -0.233 1.00 13.33 H ATOM 106 HD22 LEU A 8 3.346 10.122 -0.304 1.00 40.12 H ATOM 107 HD23 LEU A 8 4.426 11.291 -1.067 1.00 35.14 H HETATM 108 N AIB A 9 0.624 11.143 -4.537 1.00 21.04 N HETATM 109 CA AIB A 9 -0.069 11.712 -5.686 1.00 62.54 C HETATM 110 C AIB A 9 -1.079 12.749 -5.209 1.00 11.30 C HETATM 111 O AIB A 9 -1.564 13.565 -5.993 1.00 62.40 O HETATM 112 CB1 AIB A 9 -0.796 10.603 -6.441 1.00 11.34 C HETATM 113 CB2 AIB A 9 0.944 12.377 -6.612 1.00 60.45 C HETATM 114 H AIB A 9 0.322 10.285 -4.173 1.00 22.22 H HETATM 115 HB11 AIB A 9 -1.634 10.258 -5.853 1.00 23.41 H HETATM 116 HB12 AIB A 9 -0.117 9.782 -6.617 1.00 41.42 H HETATM 117 HB13 AIB A 9 -1.153 10.985 -7.386 1.00 2.22 H HETATM 118 HB21 AIB A 9 1.891 11.862 -6.540 1.00 34.41 H HETATM 119 HB22 AIB A 9 1.073 13.409 -6.323 1.00 53.11 H HETATM 120 HB23 AIB A 9 0.586 12.330 -7.630 1.00 70.03 H HETATM 121 N AIB A 10 -1.392 12.713 -3.918 1.00 32.41 N HETATM 122 CA AIB A 10 -2.345 13.650 -3.336 1.00 11.11 C HETATM 123 C AIB A 10 -1.857 15.077 -3.562 1.00 1.10 C HETATM 124 O AIB A 10 -2.564 15.922 -4.112 1.00 35.44 O HETATM 125 CB1 AIB A 10 -2.468 13.386 -1.839 1.00 13.11 C HETATM 126 CB2 AIB A 10 -3.707 13.468 -3.998 1.00 63.30 C HETATM 127 H AIB A 10 -0.972 12.039 -3.343 1.00 55.23 H HETATM 128 HB11 AIB A 10 -2.030 14.207 -1.291 1.00 54.52 H HETATM 129 HB12 AIB A 10 -1.951 12.471 -1.591 1.00 4.30 H HETATM 130 HB13 AIB A 10 -3.511 13.292 -1.575 1.00 13.45 H HETATM 131 HB21 AIB A 10 -4.433 14.100 -3.508 1.00 62.14 H HETATM 132 HB22 AIB A 10 -4.013 12.435 -3.913 1.00 41.43 H HETATM 133 HB23 AIB A 10 -3.639 13.739 -5.041 1.00 62.43 H HETATM 134 N HYP A 11 -0.618 15.355 -3.129 1.00 33.24 N HETATM 135 CA HYP A 11 -0.008 16.680 -3.273 1.00 65.53 C HETATM 136 C HYP A 11 -0.014 17.166 -4.718 1.00 50.24 C HETATM 137 O HYP A 11 0.151 18.357 -4.982 1.00 34.11 O HETATM 138 CB HYP A 11 1.428 16.463 -2.788 1.00 41.04 C HETATM 139 CG HYP A 11 1.356 15.255 -1.920 1.00 24.04 C HETATM 140 CD HYP A 11 0.281 14.397 -2.464 1.00 64.25 C HETATM 141 OD1 HYP A 11 1.578 15.595 -0.545 1.00 54.23 O HETATM 142 HA HYP A 11 -0.495 17.412 -2.646 1.00 24.31 H HETATM 143 HB2 HYP A 11 2.077 16.302 -3.638 1.00 22.02 H HETATM 144 HB3 HYP A 11 1.759 17.328 -2.234 1.00 42.43 H HETATM 145 HG HYP A 11 2.092 14.536 -2.248 1.00 44.10 H HETATM 146 HD22 HYP A 11 0.550 13.592 -3.133 1.00 55.31 H HETATM 147 HD23 HYP A 11 -0.169 14.007 -1.564 1.00 21.05 H HETATM 148 HD1 HYP A 11 0.814 16.067 -0.205 1.00 33.30 H ATOM 149 N GLN A 12 -0.206 16.238 -5.650 1.00 25.42 N ATOM 150 CA GLN A 12 -0.233 16.574 -7.068 1.00 70.44 C ATOM 151 C GLN A 12 -1.643 16.948 -7.512 1.00 75.40 C ATOM 152 O GLN A 12 -1.833 17.550 -8.568 1.00 71.34 O ATOM 153 CB GLN A 12 0.282 15.399 -7.902 1.00 40.24 C ATOM 154 CG GLN A 12 1.797 15.281 -7.915 1.00 65.53 C ATOM 155 CD GLN A 12 2.463 16.391 -8.703 1.00 42.43 C ATOM 156 OE1 GLN A 12 2.624 16.295 -9.920 1.00 61.43 O ATOM 157 NE2 GLN A 12 2.854 17.456 -8.012 1.00 64.41 N ATOM 158 H GLN A 12 -0.331 15.305 -5.377 1.00 4.42 H ATOM 159 HA GLN A 12 0.416 17.423 -7.220 1.00 73.24 H ATOM 160 HB2 GLN A 12 -0.126 14.483 -7.503 1.00 32.12 H ATOM 161 HB3 GLN A 12 -0.056 15.521 -8.921 1.00 33.32 H ATOM 162 HG2 GLN A 12 2.157 15.317 -6.898 1.00 25.13 H ATOM 163 HG3 GLN A 12 2.068 14.333 -8.358 1.00 15.13 H ATOM 164 HE21 GLN A 12 2.695 17.463 -7.045 1.00 35.14 H ATOM 165 HE22 GLN A 12 3.288 18.188 -8.496 1.00 21.02 H HETATM 166 N DIV A 13 -2.630 16.586 -6.698 1.00 2.41 N HETATM 167 CA DIV A 13 -4.023 16.884 -7.007 1.00 32.21 C HETATM 168 CB1 DIV A 13 -4.393 16.252 -8.345 1.00 12.22 C HETATM 169 CG1 DIV A 13 -3.620 14.989 -8.657 1.00 14.44 C HETATM 170 CB2 DIV A 13 -4.919 16.316 -5.911 1.00 73.34 C HETATM 171 C DIV A 13 -4.215 18.395 -7.088 1.00 24.43 C HETATM 172 O DIV A 13 -4.764 18.925 -8.054 1.00 22.42 O HETATM 173 H DIV A 13 -2.415 16.109 -5.870 1.00 33.51 H HETATM 174 HB11 DIV A 13 -4.211 16.963 -9.137 1.00 53.12 H HETATM 175 HB12 DIV A 13 -5.446 16.012 -8.347 1.00 12.23 H HETATM 176 HG11 DIV A 13 -2.648 15.250 -9.047 1.00 63.20 H HETATM 177 HG12 DIV A 13 -4.160 14.410 -9.391 1.00 64.41 H HETATM 178 HG13 DIV A 13 -3.502 14.408 -7.755 1.00 34.54 H HETATM 179 HB21 DIV A 13 -5.212 17.108 -5.239 1.00 1.35 H HETATM 180 HB22 DIV A 13 -4.380 15.558 -5.362 1.00 72.13 H HETATM 181 HB23 DIV A 13 -5.800 15.879 -6.358 1.00 34.34 H HETATM 182 N HYP A 14 -3.752 19.107 -6.050 1.00 25.55 N HETATM 183 CA HYP A 14 -3.860 20.567 -5.980 1.00 21.22 C HETATM 184 C HYP A 14 -2.739 21.268 -6.739 1.00 5.14 C HETATM 185 O HYP A 14 -2.721 22.494 -6.846 1.00 72.11 O HETATM 186 CB HYP A 14 -3.755 20.859 -4.481 1.00 15.01 C HETATM 187 CG HYP A 14 -3.033 19.685 -3.915 1.00 54.04 C HETATM 188 CD HYP A 14 -3.086 18.541 -4.864 1.00 70.20 C HETATM 189 OD1 HYP A 14 -3.299 19.543 -2.514 1.00 43.33 O HETATM 190 HA HYP A 14 -4.814 20.912 -6.350 1.00 32.10 H HETATM 191 HB2 HYP A 14 -3.203 21.775 -4.328 1.00 4.21 H HETATM 192 HB3 HYP A 14 -4.745 20.954 -4.059 1.00 43.32 H HETATM 193 HG HYP A 14 -1.973 19.804 -4.083 1.00 53.52 H HETATM 194 HD22 HYP A 14 -2.107 18.160 -5.116 1.00 13.30 H HETATM 195 HD23 HYP A 14 -3.691 17.766 -4.417 1.00 24.44 H HETATM 196 HD1 HYP A 14 -2.835 20.230 -2.029 1.00 61.23 H HETATM 197 N AIB A 15 -1.804 20.482 -7.264 1.00 1.54 N HETATM 198 CA AIB A 15 -0.679 21.029 -8.013 1.00 31.10 C HETATM 199 C AIB A 15 -1.201 21.894 -9.155 1.00 74.12 C HETATM 200 O AIB A 15 -0.869 23.073 -9.275 1.00 51.34 O HETATM 201 CB1 AIB A 15 0.156 19.886 -8.581 1.00 41.43 C HETATM 202 CB2 AIB A 15 0.185 21.878 -7.086 1.00 72.13 C HETATM 203 H AIB A 15 -1.873 19.512 -7.144 1.00 4.50 H HETATM 204 HB11 AIB A 15 1.191 20.026 -8.307 1.00 22.14 H HETATM 205 HB12 AIB A 15 0.067 19.877 -9.658 1.00 24.43 H HETATM 206 HB13 AIB A 15 -0.199 18.948 -8.182 1.00 70.33 H HETATM 207 HB21 AIB A 15 0.775 22.565 -7.674 1.00 3.21 H HETATM 208 HB22 AIB A 15 0.840 21.236 -6.517 1.00 23.23 H HETATM 209 HB23 AIB A 15 -0.450 22.434 -6.412 1.00 23.11 H ATOM 210 N PRO A 16 -2.039 21.296 -10.015 1.00 53.22 N ATOM 211 CA PRO A 16 -2.626 21.994 -11.163 1.00 71.01 C ATOM 212 C PRO A 16 -3.170 23.369 -10.790 1.00 34.54 C ATOM 213 O PRO A 16 -3.162 24.293 -11.603 1.00 23.21 O ATOM 214 CB PRO A 16 -3.765 21.068 -11.597 1.00 62.31 C ATOM 215 CG PRO A 16 -3.355 19.716 -11.124 1.00 22.11 C ATOM 216 CD PRO A 16 -2.479 19.893 -9.933 1.00 1.20 C ATOM 217 HA PRO A 16 -1.916 22.097 -11.970 1.00 63.44 H ATOM 218 HB2 PRO A 16 -4.688 21.386 -11.133 1.00 41.45 H ATOM 219 HB3 PRO A 16 -3.867 21.096 -12.671 1.00 62.55 H ATOM 220 HG2 PRO A 16 -4.227 19.144 -10.845 1.00 42.31 H ATOM 221 HG3 PRO A 16 -2.803 19.207 -11.901 1.00 15.12 H ATOM 222 HD2 PRO A 16 -2.993 19.704 -9.003 1.00 14.15 H ATOM 223 HD3 PRO A 16 -1.642 19.220 -10.047 1.00 3.32 H HETATM 224 N PHL A 17 -3.643 23.497 -9.554 1.00 73.13 N HETATM 225 CA PHL A 17 -4.192 24.759 -9.073 1.00 53.22 C HETATM 226 C PHL A 17 -3.104 25.617 -8.433 1.00 35.42 C HETATM 227 O PHL A 17 -3.380 27.012 -8.606 1.00 12.13 O HETATM 228 CB PHL A 17 -5.313 24.501 -8.065 1.00 34.25 C HETATM 229 CG PHL A 17 -6.552 23.917 -8.682 1.00 31.24 C HETATM 230 CD1 PHL A 17 -6.837 22.567 -8.551 1.00 42.23 C HETATM 231 CD2 PHL A 17 -7.431 24.718 -9.392 1.00 74.45 C HETATM 232 CE1 PHL A 17 -7.976 22.027 -9.118 1.00 21.44 C HETATM 233 CE2 PHL A 17 -8.572 24.183 -9.961 1.00 32.25 C HETATM 234 CZ PHL A 17 -8.844 22.836 -9.824 1.00 72.50 C HETATM 235 H PHL A 17 -3.623 22.724 -8.952 1.00 30.50 H HETATM 236 HA PHL A 17 -4.598 25.288 -9.922 1.00 1.13 H HETATM 237 HC1 PHL A 17 -3.056 25.400 -7.376 1.00 34.12 H HETATM 238 HC2 PHL A 17 -2.155 25.390 -8.894 1.00 63.14 H HETATM 239 HO PHL A 17 -4.168 27.247 -8.110 1.00 74.25 H HETATM 240 HB2 PHL A 17 -4.960 23.810 -7.314 1.00 13.13 H HETATM 241 HB3 PHL A 17 -5.584 25.433 -7.592 1.00 32.32 H HETATM 242 HD1 PHL A 17 -6.158 21.933 -7.999 1.00 5.13 H HETATM 243 HD2 PHL A 17 -7.220 25.771 -9.501 1.00 43.21 H HETATM 244 HE1 PHL A 17 -8.185 20.973 -9.009 1.00 33.22 H HETATM 245 HE2 PHL A 17 -9.249 24.817 -10.513 1.00 14.43 H HETATM 246 HZ PHL A 17 -9.735 22.416 -10.267 1.00 20.53 H TER 247 PHL A 17