HETATM 1 C ACE A 0 1.255 4.480 0.209 1.00 20.00 C HETATM 2 O ACE A 0 0.519 5.160 0.924 1.00 20.00 O HETATM 3 CH3 ACE A 0 2.316 5.566 0.494 1.00 20.00 C HETATM 4 H1 ACE A 0 1.940 6.531 0.179 1.00 20.00 H HETATM 5 H2 ACE A 0 3.223 5.347 -0.048 1.00 20.00 H HETATM 6 H3 ACE A 0 2.531 5.601 1.551 1.00 20.00 H ATOM 7 N PHE A 1 1.781 3.318 0.644 1.00 20.00 N ATOM 8 CA PHE A 1 1.470 3.063 2.045 1.00 20.00 C ATOM 9 C PHE A 1 2.425 2.031 2.635 1.00 20.00 C ATOM 10 O PHE A 1 3.399 1.638 1.971 1.00 20.00 O ATOM 11 CB PHE A 1 0.025 2.585 2.190 1.00 20.00 C ATOM 12 CG PHE A 1 -0.873 3.589 2.854 1.00 20.00 C ATOM 13 CD1 PHE A 1 -2.074 3.956 2.270 1.00 20.00 C ATOM 14 CD2 PHE A 1 -0.515 4.168 4.063 1.00 20.00 C ATOM 15 CE1 PHE A 1 -2.902 4.882 2.876 1.00 20.00 C ATOM 16 CE2 PHE A 1 -1.339 5.093 4.674 1.00 20.00 C ATOM 17 CZ PHE A 1 -2.534 5.451 4.080 1.00 20.00 C ATOM 18 H PHE A 1 2.755 3.386 0.743 1.00 20.00 H ATOM 19 HA PHE A 1 1.587 3.991 2.584 1.00 20.00 H ATOM 20 HB2 PHE A 1 -0.378 2.377 1.210 1.00 20.00 H ATOM 21 HB3 PHE A 1 0.007 1.680 2.780 1.00 20.00 H ATOM 22 HD1 PHE A 1 -2.363 3.512 1.329 1.00 20.00 H ATOM 23 HD2 PHE A 1 0.419 3.888 4.527 1.00 20.00 H ATOM 24 HE1 PHE A 1 -3.835 5.159 2.410 1.00 20.00 H ATOM 25 HE2 PHE A 1 -1.049 5.538 5.614 1.00 20.00 H ATOM 26 HZ PHE A 1 -3.179 6.173 4.556 1.00 20.00 H HETATM 27 N AIB A 2 2.121 1.613 3.885 1.00 20.00 N HETATM 28 CA AIB A 2 2.938 0.624 4.602 1.00 20.00 C HETATM 29 C AIB A 2 2.888 -0.751 3.907 1.00 20.00 C HETATM 30 O AIB A 2 2.534 -1.741 4.570 1.00 20.00 O HETATM 31 CB1 AIB A 2 2.397 0.426 6.016 1.00 20.00 C HETATM 32 CB2 AIB A 2 4.400 1.070 4.638 1.00 20.00 C HETATM 33 H AIB A 2 1.331 1.982 4.333 1.00 20.00 H HETATM 34 HB11 AIB A 2 1.761 -0.451 6.036 1.00 20.00 H HETATM 35 HB12 AIB A 2 1.819 1.280 6.312 1.00 20.00 H HETATM 36 HB13 AIB A 2 3.226 0.309 6.705 1.00 20.00 H HETATM 37 HB21 AIB A 2 4.463 2.065 5.065 1.00 20.00 H HETATM 38 HB22 AIB A 2 4.804 1.095 3.644 1.00 20.00 H HETATM 39 HB23 AIB A 2 4.977 0.368 5.231 1.00 20.00 H HETATM 40 N AIB A 3 3.245 -0.782 2.585 1.00 20.00 N HETATM 41 CA AIB A 3 3.243 -2.025 1.802 1.00 20.00 C HETATM 42 C AIB A 3 3.936 -1.825 0.438 1.00 20.00 C HETATM 43 O AIB A 3 4.574 -2.772 -0.050 1.00 20.00 O HETATM 44 CB1 AIB A 3 4.014 -3.116 2.546 1.00 20.00 C HETATM 45 CB2 AIB A 3 1.809 -2.473 1.517 1.00 20.00 C HETATM 46 H AIB A 3 3.518 0.039 2.119 1.00 20.00 H HETATM 47 HB11 AIB A 3 4.778 -3.527 1.896 1.00 20.00 H HETATM 48 HB12 AIB A 3 3.348 -3.905 2.839 1.00 20.00 H HETATM 49 HB13 AIB A 3 4.466 -2.692 3.437 1.00 20.00 H HETATM 50 HB21 AIB A 3 1.720 -2.756 0.474 1.00 20.00 H HETATM 51 HB22 AIB A 3 1.126 -1.670 1.718 1.00 20.00 H HETATM 52 HB23 AIB A 3 1.559 -3.312 2.158 1.00 20.00 H HETATM 53 N AIB A 4 3.793 -0.592 -0.147 1.00 20.00 N HETATM 54 CA AIB A 4 4.401 -0.264 -1.444 1.00 20.00 C HETATM 55 C AIB A 4 5.650 -1.129 -1.709 1.00 20.00 C HETATM 56 O AIB A 4 6.748 -0.735 -1.282 1.00 20.00 O HETATM 57 CB1 AIB A 4 3.408 -0.535 -2.574 1.00 20.00 C HETATM 58 CB2 AIB A 4 4.850 1.196 -1.453 1.00 20.00 C HETATM 59 H AIB A 4 3.272 0.123 0.288 1.00 20.00 H HETATM 60 HB11 AIB A 4 2.829 0.362 -2.768 1.00 20.00 H HETATM 61 HB12 AIB A 4 2.737 -1.325 -2.296 1.00 20.00 H HETATM 62 HB13 AIB A 4 3.949 -0.834 -3.465 1.00 20.00 H HETATM 63 HB21 AIB A 4 4.479 1.693 -0.563 1.00 20.00 H HETATM 64 HB22 AIB A 4 4.456 1.699 -2.316 1.00 20.00 H HETATM 65 HB23 AIB A 4 5.932 1.242 -1.487 1.00 20.00 H HETATM 66 N DIV A 5 5.455 -2.290 -2.412 1.00 20.00 N HETATM 67 CA DIV A 5 6.564 -3.209 -2.738 1.00 20.00 C HETATM 68 CB1 DIV A 5 6.106 -4.559 -3.183 1.00 20.00 C HETATM 69 CG1 DIV A 5 5.336 -5.310 -2.107 1.00 20.00 C HETATM 70 CB2 DIV A 5 7.237 -2.931 -4.075 1.00 20.00 C HETATM 71 C DIV A 5 7.615 -3.218 -1.601 1.00 20.00 C HETATM 72 O DIV A 5 8.767 -2.844 -1.817 1.00 20.00 O HETATM 73 H DIV A 5 4.559 -2.552 -2.729 1.00 20.00 H HETATM 74 HB11 DIV A 5 6.960 -5.163 -3.457 1.00 20.00 H HETATM 75 HB12 DIV A 5 5.457 -4.458 -4.040 1.00 20.00 H HETATM 76 HG11 DIV A 5 5.022 -6.267 -2.495 1.00 20.00 H HETATM 77 HG12 DIV A 5 4.463 -4.741 -1.813 1.00 20.00 H HETATM 78 HG13 DIV A 5 5.970 -5.467 -1.246 1.00 20.00 H HETATM 79 HB21 DIV A 5 7.674 -1.944 -4.065 1.00 20.00 H HETATM 80 HB22 DIV A 5 6.509 -2.991 -4.870 1.00 20.00 H HETATM 81 HB23 DIV A 5 8.014 -3.661 -4.249 1.00 20.00 H ATOM 82 N GLY A 6 7.202 -3.654 -0.391 1.00 20.00 N ATOM 83 CA GLY A 6 8.137 -3.693 0.716 1.00 20.00 C ATOM 84 C GLY A 6 8.465 -2.308 1.245 1.00 20.00 C ATOM 85 O GLY A 6 9.569 -2.074 1.729 1.00 20.00 O ATOM 86 H GLY A 6 6.272 -3.950 -0.247 1.00 20.00 H ATOM 87 HA2 GLY A 6 7.718 -4.290 1.516 1.00 20.00 H ATOM 88 HA3 GLY A 6 9.051 -4.160 0.379 1.00 20.00 H ATOM 89 N LEU A 7 7.507 -1.385 1.143 1.00 20.00 N ATOM 90 CA LEU A 7 7.700 -0.013 1.605 1.00 20.00 C ATOM 91 C LEU A 7 9.134 0.458 1.367 1.00 20.00 C ATOM 92 O LEU A 7 9.889 0.667 2.332 1.00 20.00 O ATOM 93 CB LEU A 7 7.331 0.119 3.089 1.00 20.00 C ATOM 94 CG LEU A 7 8.093 -0.798 4.049 1.00 20.00 C ATOM 95 CD1 LEU A 7 8.859 0.022 5.074 1.00 20.00 C ATOM 96 CD2 LEU A 7 7.137 -1.758 4.743 1.00 20.00 C ATOM 97 H LEU A 7 6.649 -1.627 0.737 1.00 20.00 H ATOM 98 HA LEU A 7 7.038 0.616 1.029 1.00 20.00 H ATOM 99 HB2 LEU A 7 7.508 1.141 3.389 1.00 20.00 H ATOM 100 HB3 LEU A 7 6.276 -0.089 3.193 1.00 20.00 H ATOM 101 HG LEU A 7 8.805 -1.382 3.491 1.00 20.00 H ATOM 102 HD11 LEU A 7 8.282 0.895 5.340 1.00 20.00 H ATOM 103 HD12 LEU A 7 9.034 -0.577 5.957 1.00 20.00 H ATOM 104 HD13 LEU A 7 9.806 0.329 4.655 1.00 20.00 H ATOM 105 HD21 LEU A 7 6.121 -1.422 4.598 1.00 20.00 H ATOM 106 HD22 LEU A 7 7.253 -2.747 4.326 1.00 20.00 H ATOM 107 HD23 LEU A 7 7.359 -1.784 5.800 1.00 20.00 H HETATM 108 N AIB A 8 9.468 0.628 0.067 1.00 20.00 N HETATM 109 CA AIB A 8 10.799 1.092 -0.351 1.00 20.00 C HETATM 110 C AIB A 8 11.919 0.337 0.393 1.00 20.00 C HETATM 111 O AIB A 8 13.035 0.875 0.486 1.00 20.00 O HETATM 112 CB1 AIB A 8 11.004 0.837 -1.843 1.00 20.00 C HETATM 113 CB2 AIB A 8 10.967 2.577 -0.027 1.00 20.00 C HETATM 114 H AIB A 8 8.799 0.447 -0.626 1.00 20.00 H HETATM 115 HB11 AIB A 8 10.339 0.043 -2.168 1.00 20.00 H HETATM 116 HB12 AIB A 8 12.018 0.535 -2.032 1.00 20.00 H HETATM 117 HB13 AIB A 8 10.804 1.748 -2.397 1.00 20.00 H HETATM 118 HB21 AIB A 8 10.295 2.847 0.780 1.00 20.00 H HETATM 119 HB22 AIB A 8 10.730 3.172 -0.887 1.00 20.00 H HETATM 120 HB23 AIB A 8 11.996 2.769 0.258 1.00 20.00 H HETATM 121 N AIB A 9 11.598 -0.891 0.904 1.00 20.00 N HETATM 122 CA AIB A 9 12.572 -1.715 1.634 1.00 20.00 C HETATM 123 C AIB A 9 13.860 -1.922 0.809 1.00 20.00 C HETATM 124 O AIB A 9 14.950 -1.923 1.379 1.00 20.00 O HETATM 125 CB1 AIB A 9 12.989 -1.012 2.926 1.00 20.00 C HETATM 126 CB2 AIB A 9 11.986 -3.094 1.932 1.00 20.00 C HETATM 127 H AIB A 9 10.691 -1.266 0.800 1.00 20.00 H HETATM 128 HB11 AIB A 9 12.790 0.050 2.839 1.00 20.00 H HETATM 129 HB12 AIB A 9 14.038 -1.153 3.103 1.00 20.00 H HETATM 130 HB13 AIB A 9 12.435 -1.432 3.760 1.00 20.00 H HETATM 131 HB21 AIB A 9 12.777 -3.758 2.265 1.00 20.00 H HETATM 132 HB22 AIB A 9 11.540 -3.506 1.047 1.00 20.00 H HETATM 133 HB23 AIB A 9 11.222 -3.003 2.697 1.00 20.00 H HETATM 134 N HYP A 10 13.764 -2.089 -0.547 1.00 20.00 N HETATM 135 CA HYP A 10 14.996 -2.274 -1.332 1.00 20.00 C HETATM 136 C HYP A 10 15.676 -0.952 -1.685 1.00 20.00 C HETATM 137 O HYP A 10 16.402 -0.867 -2.676 1.00 20.00 O HETATM 138 CB HYP A 10 14.546 -2.989 -2.617 1.00 20.00 C HETATM 139 CG HYP A 10 13.122 -3.464 -2.352 1.00 20.00 C HETATM 140 CD HYP A 10 12.598 -2.407 -1.408 1.00 20.00 C HETATM 141 OD1 HYP A 10 13.118 -4.704 -1.663 1.00 20.00 O HETATM 142 HA HYP A 10 15.701 -2.901 -0.805 1.00 20.00 H HETATM 143 HB2 HYP A 10 15.206 -3.822 -2.814 1.00 20.00 H HETATM 144 HB3 HYP A 10 14.581 -2.296 -3.444 1.00 20.00 H HETATM 145 HG HYP A 10 12.571 -3.401 -3.279 1.00 20.00 H HETATM 146 HD22 HYP A 10 12.277 -1.536 -1.959 1.00 20.00 H HETATM 147 HD23 HYP A 10 11.783 -2.804 -0.822 1.00 20.00 H HETATM 148 HD1 HYP A 10 13.581 -4.606 -0.828 1.00 20.00 H ATOM 149 N GLN A 11 15.447 0.076 -0.872 1.00 20.00 N ATOM 150 CA GLN A 11 16.053 1.383 -1.107 1.00 20.00 C ATOM 151 C GLN A 11 17.397 1.497 -0.391 1.00 20.00 C ATOM 152 O GLN A 11 18.072 2.534 -0.499 1.00 20.00 O ATOM 153 CB GLN A 11 15.116 2.497 -0.636 1.00 20.00 C ATOM 154 CG GLN A 11 13.968 2.765 -1.594 1.00 20.00 C ATOM 155 CD GLN A 11 14.386 2.677 -3.049 1.00 20.00 C ATOM 156 OE1 GLN A 11 14.593 1.586 -3.583 1.00 20.00 O ATOM 157 NE2 GLN A 11 14.512 3.827 -3.701 1.00 20.00 N ATOM 158 H GLN A 11 14.867 -0.048 -0.095 1.00 20.00 H ATOM 159 HA GLN A 11 16.210 1.488 -2.170 1.00 20.00 H ATOM 160 HB2 GLN A 11 14.702 2.223 0.323 1.00 20.00 H ATOM 161 HB3 GLN A 11 15.685 3.408 -0.527 1.00 20.00 H ATOM 162 HG2 GLN A 11 13.195 2.035 -1.417 1.00 20.00 H ATOM 163 HG3 GLN A 11 13.580 3.754 -1.404 1.00 20.00 H ATOM 164 HE21 GLN A 11 14.333 4.657 -3.214 1.00 20.00 H ATOM 165 HE22 GLN A 11 14.778 3.798 -4.645 1.00 20.00 H HETATM 166 N DIV A 12 17.754 0.412 0.339 1.00 20.00 N HETATM 167 CA DIV A 12 19.019 0.355 1.103 1.00 20.00 C HETATM 168 CB1 DIV A 12 18.857 0.757 2.553 1.00 20.00 C HETATM 169 CG1 DIV A 12 17.505 0.357 3.125 1.00 20.00 C HETATM 170 CB2 DIV A 12 19.452 -1.065 1.446 1.00 20.00 C HETATM 171 C DIV A 12 20.136 1.131 0.362 1.00 20.00 C HETATM 172 O DIV A 12 20.900 1.821 1.035 1.00 20.00 O HETATM 173 H DIV A 12 17.159 -0.364 0.373 1.00 20.00 H HETATM 174 HB11 DIV A 12 18.936 1.831 2.637 1.00 20.00 H HETATM 175 HB12 DIV A 12 19.625 0.303 3.165 1.00 20.00 H HETATM 176 HG11 DIV A 12 16.718 0.856 2.578 1.00 20.00 H HETATM 177 HG12 DIV A 12 17.457 0.649 4.164 1.00 20.00 H HETATM 178 HG13 DIV A 12 17.373 -0.713 3.050 1.00 20.00 H HETATM 179 HB21 DIV A 12 20.399 -1.043 1.965 1.00 20.00 H HETATM 180 HB22 DIV A 12 19.555 -1.645 0.542 1.00 20.00 H HETATM 181 HB23 DIV A 12 18.712 -1.530 2.081 1.00 20.00 H HETATM 182 N HYP A 13 20.221 1.043 -1.014 1.00 20.00 N HETATM 183 CA HYP A 13 21.238 1.785 -1.772 1.00 20.00 C HETATM 184 C HYP A 13 22.073 2.771 -0.947 1.00 20.00 C HETATM 185 O HYP A 13 23.310 2.655 -0.934 1.00 20.00 O HETATM 186 CB HYP A 13 22.110 0.641 -2.286 1.00 20.00 C HETATM 187 CG HYP A 13 21.102 -0.420 -2.724 1.00 20.00 C HETATM 188 CD HYP A 13 19.893 -0.164 -1.832 1.00 20.00 C HETATM 189 OD1 HYP A 13 21.581 -1.723 -2.436 1.00 20.00 O HETATM 190 HA HYP A 13 20.795 2.306 -2.624 1.00 20.00 H HETATM 191 HB2 HYP A 13 22.758 0.273 -1.491 1.00 20.00 H HETATM 192 HB3 HYP A 13 22.709 0.985 -3.117 1.00 20.00 H HETATM 193 HG HYP A 13 20.822 -0.206 -3.745 1.00 20.00 H HETATM 194 HD22 HYP A 13 19.024 0.024 -2.443 1.00 20.00 H HETATM 195 HD23 HYP A 13 19.720 -1.019 -1.199 1.00 20.00 H HETATM 196 HD1 HYP A 13 21.810 -2.152 -3.263 1.00 20.00 H HETATM 197 N AIB A 14 21.383 3.731 -0.271 1.00 20.00 N HETATM 198 CA AIB A 14 22.053 4.744 0.555 1.00 20.00 C HETATM 199 C AIB A 14 23.182 4.118 1.401 1.00 20.00 C HETATM 200 O AIB A 14 24.351 4.242 1.037 1.00 20.00 O HETATM 201 CB1 AIB A 14 22.711 5.788 -0.346 1.00 20.00 C HETATM 202 CB2 AIB A 14 21.056 5.401 1.509 1.00 20.00 C HETATM 203 H AIB A 14 20.405 3.762 -0.324 1.00 20.00 H HETATM 204 HB11 AIB A 14 21.942 6.344 -0.875 1.00 20.00 H HETATM 205 HB12 AIB A 14 23.345 5.309 -1.066 1.00 20.00 H HETATM 206 HB13 AIB A 14 23.313 6.459 0.258 1.00 20.00 H HETATM 207 HB21 AIB A 14 21.508 5.506 2.489 1.00 20.00 H HETATM 208 HB22 AIB A 14 20.175 4.794 1.598 1.00 20.00 H HETATM 209 HB23 AIB A 14 20.772 6.373 1.120 1.00 20.00 H ATOM 210 N PRO A 15 22.857 3.437 2.542 1.00 20.00 N ATOM 211 CA PRO A 15 23.920 2.840 3.348 1.00 20.00 C ATOM 212 C PRO A 15 25.025 2.226 2.496 1.00 20.00 C ATOM 213 O PRO A 15 26.186 2.186 2.903 1.00 20.00 O ATOM 214 CB PRO A 15 23.208 1.745 4.152 1.00 20.00 C ATOM 215 CG PRO A 15 21.742 2.034 4.058 1.00 20.00 C ATOM 216 CD PRO A 15 21.587 3.322 3.297 1.00 20.00 C ATOM 217 HA PRO A 15 24.352 3.562 4.026 1.00 20.00 H ATOM 218 HB2 PRO A 15 23.441 0.780 3.727 1.00 20.00 H ATOM 219 HB3 PRO A 15 23.546 1.776 5.177 1.00 20.00 H ATOM 220 HG2 PRO A 15 21.246 1.232 3.533 1.00 20.00 H ATOM 221 HG3 PRO A 15 21.328 2.138 5.051 1.00 20.00 H ATOM 222 HD2 PRO A 15 20.743 3.262 2.624 1.00 20.00 H ATOM 223 HD3 PRO A 15 21.470 4.152 3.978 1.00 20.00 H HETATM 224 N PHL A 16 24.655 1.739 1.319 1.00 20.00 N HETATM 225 CA PHL A 16 25.650 1.090 0.379 1.00 20.00 C HETATM 226 C PHL A 16 24.961 -0.242 -0.114 1.00 20.00 C HETATM 227 O PHL A 16 25.304 -0.525 -1.459 1.00 20.00 O HETATM 228 CB PHL A 16 26.492 1.940 -0.531 1.00 20.00 C HETATM 229 CG PHL A 16 27.650 2.633 0.143 1.00 20.00 C HETATM 230 CD1 PHL A 16 28.958 2.246 -0.130 1.00 20.00 C HETATM 231 CD2 PHL A 16 27.433 3.672 1.041 1.00 20.00 C HETATM 232 CE1 PHL A 16 30.028 2.883 0.480 1.00 20.00 C HETATM 233 CE2 PHL A 16 28.498 4.312 1.656 1.00 20.00 C HETATM 234 CZ PHL A 16 29.798 3.916 1.375 1.00 20.00 C HETATM 235 H PHL A 16 23.713 1.794 1.054 1.00 20.00 H HETATM 236 HA PHL A 16 26.462 0.882 0.854 1.00 20.00 H HETATM 237 HC1 PHL A 16 23.889 -0.136 -0.046 1.00 20.00 H HETATM 238 HC2 PHL A 16 25.283 -1.063 0.507 1.00 20.00 H HETATM 239 HO PHL A 16 24.686 -0.086 -2.046 1.00 20.00 H HETATM 240 HB2 PHL A 16 25.866 2.701 -0.975 1.00 20.00 H HETATM 241 HB3 PHL A 16 26.895 1.316 -1.314 1.00 20.00 H HETATM 242 HD1 PHL A 16 29.138 1.441 -0.826 1.00 20.00 H HETATM 243 HD2 PHL A 16 26.421 3.979 1.260 1.00 20.00 H HETATM 244 HE1 PHL A 16 31.039 2.573 0.260 1.00 20.00 H HETATM 245 HE2 PHL A 16 28.317 5.116 2.353 1.00 20.00 H HETATM 246 HZ PHL A 16 30.628 4.414 1.852 1.00 20.00 H TER 247 PHL A 16