HETATM 1 C ACE A 1 1.421 0.897 -2.208 1.00 73.42 C HETATM 2 O ACE A 1 1.686 2.097 -2.140 1.00 31.11 O HETATM 3 CH3 ACE A 1 1.983 -0.079 -1.193 1.00 15.42 C HETATM 4 H1 ACE A 1 2.900 -0.505 -1.571 1.00 13.34 H HETATM 5 H2 ACE A 1 1.266 -0.867 -1.014 1.00 52.43 H HETATM 6 H3 ACE A 1 2.183 0.441 -0.266 1.00 54.44 H ATOM 7 N PHE A 2 0.643 0.381 -3.154 1.00 62.44 N ATOM 8 CA PHE A 2 0.044 1.214 -4.191 1.00 24.15 C ATOM 9 C PHE A 2 -0.904 2.242 -3.581 1.00 32.10 C ATOM 10 O PHE A 2 -0.767 3.443 -3.813 1.00 75.30 O ATOM 11 CB PHE A 2 -0.707 0.346 -5.202 1.00 35.14 C ATOM 12 CG PHE A 2 -1.005 1.052 -6.494 1.00 23.23 C ATOM 13 CD1 PHE A 2 0.010 1.335 -7.393 1.00 63.23 C ATOM 14 CD2 PHE A 2 -2.299 1.433 -6.808 1.00 73.23 C ATOM 15 CE1 PHE A 2 -0.260 1.984 -8.583 1.00 61.14 C ATOM 16 CE2 PHE A 2 -2.575 2.082 -7.997 1.00 35.41 C ATOM 17 CZ PHE A 2 -1.554 2.359 -8.885 1.00 35.31 C ATOM 18 H PHE A 2 0.468 -0.584 -3.156 1.00 65.11 H ATOM 19 HA PHE A 2 0.842 1.734 -4.698 1.00 51.12 H ATOM 20 HB2 PHE A 2 -0.113 -0.526 -5.430 1.00 3.33 H ATOM 21 HB3 PHE A 2 -1.646 0.033 -4.769 1.00 41.41 H ATOM 22 HD1 PHE A 2 1.024 1.042 -7.158 1.00 0.00 H ATOM 23 HD2 PHE A 2 -3.099 1.218 -6.114 1.00 63.15 H ATOM 24 HE1 PHE A 2 0.541 2.199 -9.275 1.00 70.22 H ATOM 25 HE2 PHE A 2 -3.588 2.374 -8.230 1.00 75.12 H ATOM 26 HZ PHE A 2 -1.768 2.865 -9.814 1.00 42.23 H HETATM 27 N AIB A 3 -1.866 1.761 -2.801 1.00 34.33 N HETATM 28 CA AIB A 3 -2.839 2.637 -2.158 1.00 24.30 C HETATM 29 C AIB A 3 -2.106 3.725 -1.380 1.00 51.03 C HETATM 30 O AIB A 3 -2.419 4.909 -1.505 1.00 72.55 O HETATM 31 CB1 AIB A 3 -3.702 1.822 -1.201 1.00 74.01 C HETATM 32 CB2 AIB A 3 -3.724 3.279 -3.220 1.00 51.43 C HETATM 33 H AIB A 3 -1.924 0.794 -2.654 1.00 22.22 H HETATM 34 HB11 AIB A 3 -4.359 1.178 -1.768 1.00 4.11 H HETATM 35 HB12 AIB A 3 -4.292 2.490 -0.591 1.00 53.11 H HETATM 36 HB13 AIB A 3 -3.068 1.221 -0.566 1.00 71.25 H HETATM 37 HB21 AIB A 3 -4.529 3.817 -2.741 1.00 71.31 H HETATM 38 HB22 AIB A 3 -4.134 2.512 -3.860 1.00 31.32 H HETATM 39 HB23 AIB A 3 -3.136 3.965 -3.813 1.00 30.05 H HETATM 40 N AIB A 4 -1.129 3.316 -0.577 1.00 74.12 N HETATM 41 CA AIB A 4 -0.352 4.256 0.221 1.00 52.40 C HETATM 42 C AIB A 4 0.387 5.218 -0.703 1.00 62.14 C HETATM 43 O AIB A 4 0.526 6.403 -0.400 1.00 73.55 O HETATM 44 CB1 AIB A 4 0.657 3.490 1.070 1.00 53.12 C HETATM 45 CB2 AIB A 4 -1.288 5.045 1.131 1.00 22.24 C HETATM 46 H AIB A 4 -0.927 2.359 -0.520 1.00 42.12 H HETATM 47 HB11 AIB A 4 0.923 4.081 1.933 1.00 3.35 H HETATM 48 HB12 AIB A 4 1.541 3.290 0.484 1.00 65.52 H HETATM 49 HB13 AIB A 4 0.220 2.557 1.393 1.00 30.23 H HETATM 50 HB21 AIB A 4 -1.983 4.368 1.606 1.00 3.14 H HETATM 51 HB22 AIB A 4 -1.834 5.769 0.546 1.00 51.33 H HETATM 52 HB23 AIB A 4 -0.709 5.555 1.887 1.00 50.41 H HETATM 53 N AIB A 5 0.860 4.699 -1.832 1.00 4.51 N HETATM 54 CA AIB A 5 1.586 5.512 -2.801 1.00 10.23 C HETATM 55 C AIB A 5 0.724 6.700 -3.215 1.00 32.00 C HETATM 56 O AIB A 5 1.237 7.776 -3.521 1.00 24.50 O HETATM 57 CB1 AIB A 5 1.913 4.669 -4.028 1.00 70.34 C HETATM 58 CB2 AIB A 5 2.880 6.018 -2.172 1.00 41.11 C HETATM 59 H AIB A 5 0.718 3.748 -2.017 1.00 42.03 H HETATM 60 HB11 AIB A 5 2.713 5.136 -4.584 1.00 30.14 H HETATM 61 HB12 AIB A 5 1.037 4.591 -4.656 1.00 1.15 H HETATM 62 HB13 AIB A 5 2.220 3.682 -3.716 1.00 24.34 H HETATM 63 HB21 AIB A 5 2.650 6.759 -1.421 1.00 12.11 H HETATM 64 HB22 AIB A 5 3.502 6.461 -2.936 1.00 2.11 H HETATM 65 HB23 AIB A 5 3.405 5.192 -1.715 1.00 12.54 H HETATM 66 N DIV A 6 -0.590 6.497 -3.222 1.00 43.32 N HETATM 67 CA DIV A 6 -1.523 7.552 -3.599 1.00 34.31 C HETATM 68 CB1 DIV A 6 -1.365 7.864 -5.083 1.00 54.13 C HETATM 69 CG1 DIV A 6 -1.355 6.636 -5.966 1.00 64.25 C HETATM 70 CB2 DIV A 6 -2.950 7.088 -3.326 1.00 55.40 C HETATM 71 C DIV A 6 -1.231 8.806 -2.782 1.00 21.44 C HETATM 72 O DIV A 6 -1.409 9.925 -3.259 1.00 5.41 O HETATM 73 H DIV A 6 -0.939 5.618 -2.968 1.00 61.22 H HETATM 74 HB11 DIV A 6 -0.440 8.399 -5.239 1.00 12.14 H HETATM 75 HB12 DIV A 6 -2.177 8.501 -5.402 1.00 11.31 H HETATM 76 HG11 DIV A 6 -2.069 5.917 -5.592 1.00 42.03 H HETATM 77 HG12 DIV A 6 -0.367 6.198 -5.962 1.00 74.11 H HETATM 78 HG13 DIV A 6 -1.620 6.915 -6.975 1.00 50.33 H HETATM 79 HB21 DIV A 6 -3.645 7.759 -3.810 1.00 34.14 H HETATM 80 HB22 DIV A 6 -3.132 7.089 -2.261 1.00 64.43 H HETATM 81 HB23 DIV A 6 -3.085 6.089 -3.714 1.00 10.42 H ATOM 82 N GLY A 7 -0.781 8.609 -1.546 1.00 1.01 N ATOM 83 CA GLY A 7 -0.471 9.733 -0.682 1.00 31.03 C ATOM 84 C GLY A 7 0.478 10.720 -1.332 1.00 24.42 C ATOM 85 O GLY A 7 0.380 11.927 -1.108 1.00 62.10 O ATOM 86 H GLY A 7 -0.659 7.693 -1.218 1.00 45.34 H ATOM 87 HA2 GLY A 7 -1.389 10.244 -0.431 1.00 23.11 H ATOM 88 HA3 GLY A 7 -0.019 9.360 0.226 1.00 43.53 H ATOM 89 N LEU A 8 1.401 10.207 -2.138 1.00 25.43 N ATOM 90 CA LEU A 8 2.375 11.051 -2.822 1.00 13.13 C ATOM 91 C LEU A 8 1.730 11.787 -3.992 1.00 61.32 C ATOM 92 O LEU A 8 2.188 12.856 -4.394 1.00 62.43 O ATOM 93 CB LEU A 8 3.550 10.208 -3.319 1.00 42.23 C ATOM 94 CG LEU A 8 4.277 9.378 -2.260 1.00 54.04 C ATOM 95 CD1 LEU A 8 5.651 8.961 -2.760 1.00 21.43 C ATOM 96 CD2 LEU A 8 4.394 10.158 -0.959 1.00 41.22 C ATOM 97 H LEU A 8 1.430 9.237 -2.277 1.00 1.42 H ATOM 98 HA LEU A 8 2.739 11.779 -2.112 1.00 31.44 H ATOM 99 HB2 LEU A 8 3.176 9.531 -4.071 1.00 61.51 H ATOM 100 HB3 LEU A 8 4.270 10.878 -3.767 1.00 43.33 H ATOM 101 HG LEU A 8 3.707 8.480 -2.063 1.00 1.21 H ATOM 102 HD11 LEU A 8 6.165 9.821 -3.161 1.00 74.14 H ATOM 103 HD12 LEU A 8 5.542 8.213 -3.532 1.00 11.42 H ATOM 104 HD13 LEU A 8 6.222 8.550 -1.940 1.00 23.20 H ATOM 105 HD21 LEU A 8 4.659 11.182 -1.177 1.00 12.42 H ATOM 106 HD22 LEU A 8 5.159 9.713 -0.340 1.00 64.52 H ATOM 107 HD23 LEU A 8 3.449 10.133 -0.438 1.00 12.21 H HETATM 108 N AIB A 9 0.663 11.207 -4.533 1.00 43.41 N HETATM 109 CA AIB A 9 -0.046 11.809 -5.656 1.00 22.01 C HETATM 110 C AIB A 9 -1.008 12.873 -5.138 1.00 71.22 C HETATM 111 O AIB A 9 -1.491 13.710 -5.900 1.00 2.44 O HETATM 112 CB1 AIB A 9 -0.830 10.732 -6.398 1.00 31.22 C HETATM 113 CB2 AIB A 9 0.959 12.452 -6.606 1.00 60.53 C HETATM 114 H AIB A 9 0.346 10.355 -4.168 1.00 53.34 H HETATM 115 HB11 AIB A 9 -0.179 9.898 -6.615 1.00 72.21 H HETATM 116 HB12 AIB A 9 -1.215 11.138 -7.321 1.00 41.43 H HETATM 117 HB13 AIB A 9 -1.652 10.396 -5.782 1.00 43.32 H HETATM 118 HB21 AIB A 9 1.129 13.477 -6.311 1.00 71.53 H HETATM 119 HB22 AIB A 9 0.569 12.427 -7.613 1.00 61.52 H HETATM 120 HB23 AIB A 9 1.891 11.907 -6.567 1.00 74.44 H HETATM 121 N AIB A 10 -1.282 12.833 -3.838 1.00 55.15 N HETATM 122 CA AIB A 10 -2.187 13.794 -3.219 1.00 33.10 C HETATM 123 C AIB A 10 -1.661 15.207 -3.446 1.00 53.23 C HETATM 124 O AIB A 10 -2.358 16.079 -3.966 1.00 60.14 O HETATM 125 CB1 AIB A 10 -2.274 13.518 -1.721 1.00 44.45 C HETATM 126 CB2 AIB A 10 -3.573 13.661 -3.841 1.00 53.00 C HETATM 127 H AIB A 10 -0.867 12.141 -3.283 1.00 44.31 H HETATM 128 HB11 AIB A 10 -1.794 14.320 -1.180 1.00 0.13 H HETATM 129 HB12 AIB A 10 -1.778 12.585 -1.498 1.00 5.40 H HETATM 130 HB13 AIB A 10 -3.311 13.454 -1.426 1.00 44.34 H HETATM 131 HB21 AIB A 10 -4.264 14.309 -3.323 1.00 13.43 H HETATM 132 HB22 AIB A 10 -3.909 12.638 -3.758 1.00 64.31 H HETATM 133 HB23 AIB A 10 -3.529 13.942 -4.883 1.00 23.11 H HETATM 134 N HYP A 11 -0.402 15.442 -3.048 1.00 71.51 N HETATM 135 CA HYP A 11 0.246 16.748 -3.199 1.00 34.11 C HETATM 136 C HYP A 11 0.211 17.250 -4.638 1.00 72.44 C HETATM 137 O HYP A 11 0.404 18.437 -4.895 1.00 52.54 O HETATM 138 CB HYP A 11 1.688 16.481 -2.760 1.00 52.52 C HETATM 139 CG HYP A 11 1.604 15.267 -1.901 1.00 42.30 C HETATM 140 CD HYP A 11 0.486 14.449 -2.421 1.00 5.14 C HETATM 141 OD1 HYP A 11 1.915 15.579 -0.537 1.00 40.23 O HETATM 142 HA HYP A 11 -0.199 17.488 -2.550 1.00 1.30 H HETATM 143 HB2 HYP A 11 2.305 16.309 -3.631 1.00 23.05 H HETATM 144 HB3 HYP A 11 2.063 17.330 -2.208 1.00 53.34 H HETATM 145 HG HYP A 11 2.286 14.518 -2.276 1.00 52.21 H HETATM 146 HD22 HYP A 11 0.709 13.643 -3.104 1.00 53.45 H HETATM 147 HD23 HYP A 11 0.051 14.064 -1.510 1.00 4.30 H HETATM 148 HD1 HYP A 11 2.524 16.321 -0.509 1.00 22.40 H ATOM 149 N GLN A 12 -0.037 16.337 -5.572 1.00 50.04 N ATOM 150 CA GLN A 12 -0.097 16.688 -6.986 1.00 43.53 C ATOM 151 C GLN A 12 -1.507 17.113 -7.383 1.00 20.24 C ATOM 152 O GLN A 12 -1.709 17.733 -8.426 1.00 43.12 O ATOM 153 CB GLN A 12 0.354 15.507 -7.847 1.00 32.33 C ATOM 154 CG GLN A 12 1.864 15.340 -7.909 1.00 35.23 C ATOM 155 CD GLN A 12 2.532 16.394 -8.769 1.00 63.53 C ATOM 156 OE1 GLN A 12 2.648 16.237 -9.985 1.00 60.31 O ATOM 157 NE2 GLN A 12 2.977 17.476 -8.142 1.00 30.03 N ATOM 158 H GLN A 12 -0.182 15.406 -5.305 1.00 15.33 H ATOM 159 HA GLN A 12 0.575 17.518 -7.150 1.00 74.32 H ATOM 160 HB2 GLN A 12 -0.071 14.600 -7.443 1.00 30.02 H ATOM 161 HB3 GLN A 12 -0.012 15.649 -8.853 1.00 12.22 H ATOM 162 HG2 GLN A 12 2.262 15.409 -6.907 1.00 41.54 H ATOM 163 HG3 GLN A 12 2.088 14.366 -8.317 1.00 64.24 H ATOM 164 HE21 GLN A 12 2.851 17.532 -7.171 1.00 1.02 H ATOM 165 HE22 GLN A 12 3.414 18.172 -8.673 1.00 50.43 H HETATM 166 N DIV A 13 -2.480 16.774 -6.543 1.00 24.12 N HETATM 167 CA DIV A 13 -3.871 17.120 -6.806 1.00 73.40 C HETATM 168 CB1 DIV A 13 -4.301 16.518 -8.140 1.00 20.11 C HETATM 169 CG1 DIV A 13 -3.579 15.236 -8.491 1.00 23.44 C HETATM 170 CB2 DIV A 13 -4.752 16.566 -5.691 1.00 72.42 C HETATM 171 C DIV A 13 -4.016 18.637 -6.862 1.00 73.43 C HETATM 172 O DIV A 13 -4.574 19.197 -7.806 1.00 62.23 O HETATM 173 H DIV A 13 -2.256 16.280 -5.727 1.00 21.40 H HETATM 174 HB11 DIV A 13 -4.120 17.233 -8.929 1.00 0.35 H HETATM 175 HB12 DIV A 13 -5.361 16.311 -8.113 1.00 44.41 H HETATM 176 HG11 DIV A 13 -3.450 14.639 -7.599 1.00 54.33 H HETATM 177 HG12 DIV A 13 -2.611 15.470 -8.909 1.00 11.30 H HETATM 178 HG13 DIV A 13 -4.159 14.682 -9.214 1.00 21.22 H HETATM 179 HB21 DIV A 13 -5.003 17.359 -5.003 1.00 13.12 H HETATM 180 HB22 DIV A 13 -4.220 15.787 -5.165 1.00 2.43 H HETATM 181 HB23 DIV A 13 -5.658 16.158 -6.117 1.00 5.15 H HETATM 182 N HYP A 14 -3.503 19.319 -5.828 1.00 51.30 N HETATM 183 CA HYP A 14 -3.563 20.781 -5.737 1.00 2.13 C HETATM 184 C HYP A 14 -2.449 21.457 -6.528 1.00 42.35 C HETATM 185 O HYP A 14 -2.400 22.683 -6.626 1.00 40.03 O HETATM 186 CB HYP A 14 -3.394 21.050 -4.239 1.00 43.23 C HETATM 187 CG HYP A 14 -2.684 19.849 -3.716 1.00 53.14 C HETATM 188 CD HYP A 14 -2.825 18.717 -4.668 1.00 63.43 C HETATM 189 OD1 HYP A 14 -3.119 19.532 -2.388 1.00 42.11 O HETATM 190 HA HYP A 14 -4.519 21.161 -6.067 1.00 22.43 H HETATM 191 HB2 HYP A 14 -2.810 21.949 -4.096 1.00 62.41 H HETATM 192 HB3 HYP A 14 -4.363 21.167 -3.779 1.00 53.22 H HETATM 193 HG HYP A 14 -1.620 20.032 -3.726 1.00 1.11 H HETATM 194 HD22 HYP A 14 -1.869 18.302 -4.953 1.00 40.21 H HETATM 195 HD23 HYP A 14 -3.445 17.960 -4.210 1.00 44.11 H HETATM 196 HD1 HYP A 14 -3.271 20.344 -1.898 1.00 60.45 H HETATM 197 N AIB A 15 -1.556 20.650 -7.092 1.00 50.34 N HETATM 198 CA AIB A 15 -0.443 21.171 -7.876 1.00 43.52 C HETATM 199 C AIB A 15 -0.979 22.062 -8.992 1.00 33.20 C HETATM 200 O AIB A 15 -0.623 23.235 -9.109 1.00 74.41 O HETATM 201 CB1 AIB A 15 0.339 20.011 -8.483 1.00 51.01 C HETATM 202 CB2 AIB A 15 0.477 21.987 -6.973 1.00 61.32 C HETATM 203 H AIB A 15 -1.648 19.682 -6.978 1.00 73.45 H HETATM 204 HB11 AIB A 15 1.387 20.121 -8.249 1.00 3.34 H HETATM 205 HB12 AIB A 15 0.208 20.011 -9.555 1.00 71.52 H HETATM 206 HB13 AIB A 15 -0.025 19.079 -8.076 1.00 12.55 H HETATM 207 HB21 AIB A 15 1.058 21.319 -6.355 1.00 4.15 H HETATM 208 HB22 AIB A 15 -0.117 22.634 -6.345 1.00 44.30 H HETATM 209 HB23 AIB A 15 1.141 22.584 -7.581 1.00 12.13 H ATOM 210 N PRO A 16 -1.857 21.494 -9.832 1.00 63.35 N ATOM 211 CA PRO A 16 -2.462 22.218 -10.954 1.00 2.51 C ATOM 212 C PRO A 16 -3.526 23.210 -10.497 1.00 1.35 C ATOM 213 O PRO A 16 -4.001 24.032 -11.281 1.00 20.03 O ATOM 214 CB PRO A 16 -3.094 21.107 -11.795 1.00 64.32 C ATOM 215 CG PRO A 16 -3.360 20.005 -10.829 1.00 25.34 C ATOM 216 CD PRO A 16 -2.326 20.100 -9.753 1.00 12.35 C ATOM 217 HA PRO A 16 -1.717 22.736 -11.540 1.00 3.42 H ATOM 218 HB2 PRO A 16 -4.008 21.468 -12.245 1.00 64.34 H ATOM 219 HB3 PRO A 16 -2.404 20.797 -12.566 1.00 42.40 H ATOM 220 HG2 PRO A 16 -4.343 20.121 -10.400 1.00 53.43 H ATOM 221 HG3 PRO A 16 -3.277 19.051 -11.328 1.00 61.22 H ATOM 222 HD2 PRO A 16 -2.783 19.901 -8.794 1.00 45.52 H ATOM 223 HD3 PRO A 16 -1.516 19.410 -9.937 1.00 51.22 H HETATM 224 N PHL A 17 -3.896 23.129 -9.223 1.00 22.32 N HETATM 225 CA PHL A 17 -4.905 24.019 -8.661 1.00 44.41 C HETATM 226 C PHL A 17 -4.327 24.840 -7.512 1.00 24.23 C HETATM 227 O PHL A 17 -4.722 26.214 -7.609 1.00 74.55 O HETATM 228 CB PHL A 17 -6.111 23.215 -8.172 1.00 64.41 C HETATM 229 CG PHL A 17 -6.988 22.715 -9.284 1.00 32.43 C HETATM 230 CD1 PHL A 17 -7.721 23.600 -10.058 1.00 1.15 C HETATM 231 CD2 PHL A 17 -7.081 21.359 -9.555 1.00 21.25 C HETATM 232 CE1 PHL A 17 -8.529 23.143 -11.082 1.00 12.35 C HETATM 233 CE2 PHL A 17 -7.887 20.896 -10.577 1.00 51.34 C HETATM 234 CZ PHL A 17 -8.613 21.789 -11.341 1.00 11.40 C HETATM 235 H PHL A 17 -3.481 22.453 -8.647 1.00 24.42 H HETATM 236 HA PHL A 17 -5.224 24.692 -9.442 1.00 70.43 H HETATM 237 HC1 PHL A 17 -4.684 24.441 -6.574 1.00 74.40 H HETATM 238 HC2 PHL A 17 -3.248 24.785 -7.543 1.00 13.55 H HETATM 239 HO PHL A 17 -5.572 26.271 -8.053 1.00 43.52 H HETATM 240 HB2 PHL A 17 -5.761 22.358 -7.615 1.00 52.23 H HETATM 241 HB3 PHL A 17 -6.712 23.837 -7.527 1.00 50.32 H HETATM 242 HD1 PHL A 17 -7.656 24.660 -9.855 1.00 11.01 H HETATM 243 HD2 PHL A 17 -6.515 20.659 -8.958 1.00 23.04 H HETATM 244 HE1 PHL A 17 -9.095 23.845 -11.676 1.00 74.44 H HETATM 245 HE2 PHL A 17 -7.951 19.837 -10.778 1.00 52.21 H HETATM 246 HZ PHL A 17 -9.243 21.431 -12.141 1.00 33.51 H TER 247 PHL A 17