HETATM 1 C ACE A 1 1.489 0.959 -2.268 1.00 33.53 C HETATM 2 O ACE A 1 1.765 2.158 -2.233 1.00 64.35 O HETATM 3 CH3 ACE A 1 2.071 0.001 -1.247 1.00 45.03 C HETATM 4 H1 ACE A 1 1.832 0.344 -0.252 1.00 42.41 H HETATM 5 H2 ACE A 1 3.144 -0.043 -1.365 1.00 42.21 H HETATM 6 H3 ACE A 1 1.653 -0.984 -1.398 1.00 22.31 H ATOM 7 N PHE A 2 0.680 0.429 -3.180 1.00 24.32 N ATOM 8 CA PHE A 2 0.059 1.244 -4.217 1.00 1.32 C ATOM 9 C PHE A 2 -0.896 2.265 -3.606 1.00 14.30 C ATOM 10 O PHE A 2 -0.772 3.467 -3.843 1.00 31.53 O ATOM 11 CB PHE A 2 -0.692 0.357 -5.211 1.00 75.03 C ATOM 12 CG PHE A 2 -1.011 1.046 -6.507 1.00 71.14 C ATOM 13 CD1 PHE A 2 -2.041 1.970 -6.581 1.00 61.22 C ATOM 14 CD2 PHE A 2 -0.281 0.769 -7.652 1.00 71.00 C ATOM 15 CE1 PHE A 2 -2.337 2.606 -7.772 1.00 64.13 C ATOM 16 CE2 PHE A 2 -0.572 1.402 -8.846 1.00 2.13 C ATOM 17 CZ PHE A 2 -1.602 2.321 -8.906 1.00 64.32 C ATOM 18 H PHE A 2 0.498 -0.534 -3.155 1.00 60.33 H ATOM 19 HA PHE A 2 0.844 1.770 -4.738 1.00 53.32 H ATOM 20 HB2 PHE A 2 -0.090 -0.510 -5.436 1.00 44.24 H ATOM 21 HB3 PHE A 2 -1.623 0.038 -4.766 1.00 63.20 H ATOM 22 HD1 PHE A 2 -2.617 2.193 -5.694 1.00 51.52 H ATOM 23 HD2 PHE A 2 0.524 0.050 -7.607 1.00 13.13 H ATOM 24 HE1 PHE A 2 -3.142 3.324 -7.816 1.00 34.52 H ATOM 25 HE2 PHE A 2 0.004 1.177 -9.731 1.00 1.21 H ATOM 26 HZ PHE A 2 -1.830 2.817 -9.837 1.00 74.15 H HETATM 27 N AIB A 3 -1.850 1.778 -2.819 1.00 71.34 N HETATM 28 CA AIB A 3 -2.827 2.647 -2.175 1.00 34.41 C HETATM 29 C AIB A 3 -2.102 3.743 -1.402 1.00 65.30 C HETATM 30 O AIB A 3 -2.421 4.924 -1.533 1.00 32.21 O HETATM 31 CB1 AIB A 3 -3.681 1.826 -1.213 1.00 42.42 C HETATM 32 CB2 AIB A 3 -3.722 3.280 -3.235 1.00 73.52 C HETATM 33 H AIB A 3 -1.898 0.811 -2.669 1.00 64.30 H HETATM 34 HB11 AIB A 3 -4.553 1.456 -1.732 1.00 2.22 H HETATM 35 HB12 AIB A 3 -3.991 2.449 -0.387 1.00 24.44 H HETATM 36 HB13 AIB A 3 -3.103 0.993 -0.840 1.00 52.51 H HETATM 37 HB21 AIB A 3 -4.149 2.505 -3.855 1.00 41.04 H HETATM 38 HB22 AIB A 3 -3.137 3.949 -3.848 1.00 4.35 H HETATM 39 HB23 AIB A 3 -4.515 3.833 -2.754 1.00 31.33 H HETATM 40 N AIB A 4 -1.123 3.343 -0.597 1.00 21.15 N HETATM 41 CA AIB A 4 -0.351 4.291 0.198 1.00 55.54 C HETATM 42 C AIB A 4 0.384 5.252 -0.731 1.00 62.30 C HETATM 43 O AIB A 4 0.511 6.440 -0.437 1.00 51.02 O HETATM 44 CB1 AIB A 4 0.660 3.535 1.052 1.00 63.23 C HETATM 45 CB2 AIB A 4 -1.292 5.080 1.103 1.00 51.03 C HETATM 46 H AIB A 4 -0.915 2.387 -0.535 1.00 1.51 H HETATM 47 HB11 AIB A 4 0.924 4.132 1.912 1.00 53.41 H HETATM 48 HB12 AIB A 4 1.546 3.335 0.467 1.00 23.45 H HETATM 49 HB13 AIB A 4 0.227 2.602 1.381 1.00 64.44 H HETATM 50 HB21 AIB A 4 -0.717 5.592 1.860 1.00 15.04 H HETATM 51 HB22 AIB A 4 -1.989 4.403 1.575 1.00 4.21 H HETATM 52 HB23 AIB A 4 -1.836 5.803 0.513 1.00 14.25 H HETATM 53 N AIB A 5 0.868 4.728 -1.853 1.00 15.31 N HETATM 54 CA AIB A 5 1.591 5.539 -2.825 1.00 12.42 C HETATM 55 C AIB A 5 0.728 6.726 -3.239 1.00 55.24 C HETATM 56 O AIB A 5 1.240 7.802 -3.547 1.00 22.23 O HETATM 57 CB1 AIB A 5 1.915 4.694 -4.052 1.00 24.44 C HETATM 58 CB2 AIB A 5 2.886 6.047 -2.200 1.00 22.31 C HETATM 59 H AIB A 5 0.734 3.774 -2.031 1.00 45.12 H HETATM 60 HB11 AIB A 5 1.475 5.147 -4.928 1.00 24.52 H HETATM 61 HB12 AIB A 5 1.514 3.700 -3.920 1.00 70.40 H HETATM 62 HB13 AIB A 5 2.987 4.636 -4.176 1.00 33.32 H HETATM 63 HB21 AIB A 5 3.529 6.441 -2.973 1.00 71.34 H HETATM 64 HB22 AIB A 5 3.386 5.232 -1.697 1.00 2.34 H HETATM 65 HB23 AIB A 5 2.661 6.826 -1.487 1.00 51.22 H HETATM 66 N DIV A 6 -0.586 6.523 -3.246 1.00 22.45 N HETATM 67 CA DIV A 6 -1.520 7.576 -3.622 1.00 55.14 C HETATM 68 CB1 DIV A 6 -1.364 7.887 -5.107 1.00 73.13 C HETATM 69 CG1 DIV A 6 -1.353 6.657 -5.989 1.00 42.50 C HETATM 70 CB2 DIV A 6 -2.947 7.112 -3.347 1.00 50.25 C HETATM 71 C DIV A 6 -1.228 8.831 -2.807 1.00 22.02 C HETATM 72 O DIV A 6 -1.406 9.950 -3.285 1.00 55.22 O HETATM 73 H DIV A 6 -0.934 5.643 -2.991 1.00 12.15 H HETATM 74 HB11 DIV A 6 -0.440 8.423 -5.264 1.00 62.21 H HETATM 75 HB12 DIV A 6 -2.177 8.523 -5.426 1.00 20.41 H HETATM 76 HG11 DIV A 6 -0.333 6.401 -6.237 1.00 11.54 H HETATM 77 HG12 DIV A 6 -1.903 6.860 -6.896 1.00 35.32 H HETATM 78 HG13 DIV A 6 -1.813 5.834 -5.464 1.00 75.32 H HETATM 79 HB21 DIV A 6 -3.132 7.128 -2.284 1.00 11.44 H HETATM 80 HB22 DIV A 6 -3.077 6.107 -3.720 1.00 62.03 H HETATM 81 HB23 DIV A 6 -3.642 7.773 -3.844 1.00 34.10 H ATOM 82 N GLY A 7 -0.777 8.636 -1.571 1.00 45.13 N ATOM 83 CA GLY A 7 -0.466 9.761 -0.709 1.00 14.22 C ATOM 84 C GLY A 7 0.482 10.748 -1.361 1.00 31.40 C ATOM 85 O GLY A 7 0.383 11.955 -1.139 1.00 3.15 O ATOM 86 H GLY A 7 -0.653 7.721 -1.243 1.00 33.21 H ATOM 87 HA2 GLY A 7 -1.384 10.272 -0.458 1.00 30.13 H ATOM 88 HA3 GLY A 7 -0.013 9.390 0.199 1.00 41.04 H ATOM 89 N LEU A 8 1.404 10.234 -2.167 1.00 45.21 N ATOM 90 CA LEU A 8 2.377 11.078 -2.853 1.00 14.40 C ATOM 91 C LEU A 8 1.730 11.812 -4.024 1.00 5.23 C ATOM 92 O LEU A 8 2.188 12.881 -4.428 1.00 33.13 O ATOM 93 CB LEU A 8 3.552 10.236 -3.351 1.00 21.52 C ATOM 94 CG LEU A 8 4.280 9.407 -2.292 1.00 1.24 C ATOM 95 CD1 LEU A 8 5.654 8.990 -2.792 1.00 23.21 C ATOM 96 CD2 LEU A 8 4.399 10.189 -0.992 1.00 12.24 C ATOM 97 H LEU A 8 1.434 9.265 -2.305 1.00 75.21 H ATOM 98 HA LEU A 8 2.741 11.807 -2.144 1.00 62.11 H ATOM 99 HB2 LEU A 8 3.178 9.557 -4.101 1.00 74.43 H ATOM 100 HB3 LEU A 8 4.271 10.905 -3.800 1.00 43.54 H ATOM 101 HG LEU A 8 3.711 8.509 -2.092 1.00 43.41 H ATOM 102 HD11 LEU A 8 5.545 8.241 -3.562 1.00 12.22 H ATOM 103 HD12 LEU A 8 6.227 8.582 -1.972 1.00 42.22 H ATOM 104 HD13 LEU A 8 6.167 9.851 -3.196 1.00 31.41 H ATOM 105 HD21 LEU A 8 3.463 10.137 -0.454 1.00 44.01 H ATOM 106 HD22 LEU A 8 4.630 11.221 -1.212 1.00 53.43 H ATOM 107 HD23 LEU A 8 5.186 9.765 -0.387 1.00 22.22 H HETATM 108 N AIB A 9 0.663 11.232 -4.563 1.00 24.22 N HETATM 109 CA AIB A 9 -0.047 11.832 -5.686 1.00 31.33 C HETATM 110 C AIB A 9 -1.009 12.896 -5.168 1.00 73.33 C HETATM 111 O AIB A 9 -1.493 13.732 -5.930 1.00 51.32 O HETATM 112 CB1 AIB A 9 -0.832 10.753 -6.425 1.00 43.34 C HETATM 113 CB2 AIB A 9 0.956 12.474 -6.638 1.00 24.51 C HETATM 114 H AIB A 9 0.347 10.380 -4.197 1.00 34.02 H HETATM 115 HB11 AIB A 9 -0.184 9.913 -6.630 1.00 13.32 H HETATM 116 HB12 AIB A 9 -1.206 11.154 -7.356 1.00 4.52 H HETATM 117 HB13 AIB A 9 -1.661 10.428 -5.814 1.00 40.34 H HETATM 118 HB21 AIB A 9 1.126 13.499 -6.344 1.00 63.13 H HETATM 119 HB22 AIB A 9 0.565 12.447 -7.644 1.00 44.33 H HETATM 120 HB23 AIB A 9 1.888 11.929 -6.599 1.00 63.14 H HETATM 121 N AIB A 10 -1.282 12.857 -3.868 1.00 54.52 N HETATM 122 CA AIB A 10 -2.187 13.819 -3.249 1.00 20.40 C HETATM 123 C AIB A 10 -1.662 15.232 -3.479 1.00 22.25 C HETATM 124 O AIB A 10 -2.359 16.103 -3.999 1.00 34.31 O HETATM 125 CB1 AIB A 10 -2.272 13.545 -1.751 1.00 62.21 C HETATM 126 CB2 AIB A 10 -3.574 13.685 -3.870 1.00 24.55 C HETATM 127 H AIB A 10 -0.866 12.167 -3.312 1.00 63.45 H HETATM 128 HB11 AIB A 10 -1.792 14.347 -1.211 1.00 2.43 H HETATM 129 HB12 AIB A 10 -1.775 12.612 -1.527 1.00 11.31 H HETATM 130 HB13 AIB A 10 -3.308 13.481 -1.455 1.00 34.21 H HETATM 131 HB21 AIB A 10 -3.908 12.661 -3.785 1.00 54.21 H HETATM 132 HB22 AIB A 10 -3.530 13.964 -4.912 1.00 12.32 H HETATM 133 HB23 AIB A 10 -4.264 14.333 -3.351 1.00 52.21 H HETATM 134 N HYP A 11 -0.402 15.467 -3.082 1.00 13.21 N HETATM 135 CA HYP A 11 0.245 16.774 -3.235 1.00 33.42 C HETATM 136 C HYP A 11 0.208 17.274 -4.675 1.00 22.41 C HETATM 137 O HYP A 11 0.401 18.461 -4.933 1.00 54.35 O HETATM 138 CB HYP A 11 1.687 16.508 -2.797 1.00 44.33 C HETATM 139 CG HYP A 11 1.605 15.295 -1.937 1.00 2.25 C HETATM 140 CD HYP A 11 0.487 14.476 -2.454 1.00 63.20 C HETATM 141 OD1 HYP A 11 1.876 15.617 -0.566 1.00 74.44 O HETATM 142 HA HYP A 11 -0.199 17.515 -2.586 1.00 74.33 H HETATM 143 HB2 HYP A 11 2.304 16.335 -3.668 1.00 2.00 H HETATM 144 HB3 HYP A 11 2.063 17.358 -2.247 1.00 35.12 H HETATM 145 HG HYP A 11 2.310 14.558 -2.292 1.00 0.11 H HETATM 146 HD22 HYP A 11 0.709 13.669 -3.137 1.00 42.52 H HETATM 147 HD23 HYP A 11 0.053 14.092 -1.543 1.00 22.14 H HETATM 148 HD1 HYP A 11 1.206 16.222 -0.241 1.00 54.31 H ATOM 149 N GLN A 12 -0.040 16.360 -5.608 1.00 31.24 N ATOM 150 CA GLN A 12 -0.101 16.710 -7.022 1.00 33.42 C ATOM 151 C GLN A 12 -1.512 17.133 -7.417 1.00 51.02 C ATOM 152 O GLN A 12 -1.715 17.752 -8.461 1.00 71.13 O ATOM 153 CB GLN A 12 0.349 15.527 -7.881 1.00 73.13 C ATOM 154 CG GLN A 12 1.858 15.361 -7.945 1.00 24.44 C ATOM 155 CD GLN A 12 2.557 16.583 -8.505 1.00 43.53 C ATOM 156 OE1 GLN A 12 2.433 16.895 -9.690 1.00 15.51 O ATOM 157 NE2 GLN A 12 3.298 17.284 -7.655 1.00 4.11 N ATOM 158 H GLN A 12 -0.185 15.429 -5.339 1.00 1.34 H ATOM 159 HA GLN A 12 0.570 17.539 -7.187 1.00 74.23 H ATOM 160 HB2 GLN A 12 -0.075 14.621 -7.476 1.00 33.52 H ATOM 161 HB3 GLN A 12 -0.018 15.668 -8.887 1.00 54.12 H ATOM 162 HG2 GLN A 12 2.230 15.179 -6.947 1.00 61.11 H ATOM 163 HG3 GLN A 12 2.088 14.513 -8.573 1.00 71.30 H ATOM 164 HE21 GLN A 12 3.353 16.975 -6.726 1.00 14.22 H ATOM 165 HE22 GLN A 12 3.762 18.079 -7.990 1.00 72.45 H HETATM 166 N DIV A 13 -2.484 16.795 -6.576 1.00 62.30 N HETATM 167 CA DIV A 13 -3.876 17.140 -6.838 1.00 62.42 C HETATM 168 CB1 DIV A 13 -4.307 16.536 -8.171 1.00 44.40 C HETATM 169 CG1 DIV A 13 -3.584 15.254 -8.521 1.00 72.00 C HETATM 170 CB2 DIV A 13 -4.755 16.587 -5.722 1.00 35.41 C HETATM 171 C DIV A 13 -4.021 18.657 -6.896 1.00 74.40 C HETATM 172 O DIV A 13 -4.580 19.216 -7.840 1.00 70.41 O HETATM 173 H DIV A 13 -2.259 16.302 -5.760 1.00 31.52 H HETATM 174 HB11 DIV A 13 -4.127 17.251 -8.961 1.00 23.04 H HETATM 175 HB12 DIV A 13 -5.366 16.330 -8.143 1.00 32.51 H HETATM 176 HG11 DIV A 13 -3.455 14.659 -7.629 1.00 65.21 H HETATM 177 HG12 DIV A 13 -2.617 15.489 -8.941 1.00 32.41 H HETATM 178 HG13 DIV A 13 -4.165 14.699 -9.243 1.00 11.02 H HETATM 179 HB21 DIV A 13 -5.006 17.381 -5.034 1.00 70.31 H HETATM 180 HB22 DIV A 13 -4.222 15.809 -5.195 1.00 73.02 H HETATM 181 HB23 DIV A 13 -5.661 16.178 -6.146 1.00 11.51 H HETATM 182 N HYP A 14 -3.508 19.341 -5.863 1.00 24.50 N HETATM 183 CA HYP A 14 -3.568 20.802 -5.773 1.00 44.52 C HETATM 184 C HYP A 14 -2.455 21.478 -6.567 1.00 4.22 C HETATM 185 O HYP A 14 -2.406 22.704 -6.666 1.00 32.22 O HETATM 186 CB HYP A 14 -3.397 21.073 -4.276 1.00 52.23 C HETATM 187 CG HYP A 14 -2.687 19.873 -3.753 1.00 21.03 C HETATM 188 CD HYP A 14 -2.828 18.739 -4.703 1.00 42.43 C HETATM 189 OD1 HYP A 14 -3.150 19.533 -2.440 1.00 24.32 O HETATM 190 HA HYP A 14 -4.524 21.181 -6.103 1.00 11.23 H HETATM 191 HB2 HYP A 14 -2.814 21.972 -4.135 1.00 25.03 H HETATM 192 HB3 HYP A 14 -4.366 21.190 -3.815 1.00 54.44 H HETATM 193 HG HYP A 14 -1.625 20.068 -3.734 1.00 22.10 H HETATM 194 HD22 HYP A 14 -1.872 18.325 -4.989 1.00 33.15 H HETATM 195 HD23 HYP A 14 -3.447 17.983 -4.244 1.00 11.34 H HETATM 196 HD1 HYP A 14 -3.833 18.861 -2.505 1.00 2.52 H HETATM 197 N AIB A 15 -1.562 20.671 -7.131 1.00 33.10 N HETATM 198 CA AIB A 15 -0.450 21.192 -7.916 1.00 61.45 C HETATM 199 C AIB A 15 -0.988 22.080 -9.033 1.00 10.32 C HETATM 200 O AIB A 15 -0.633 23.253 -9.152 1.00 2.13 O HETATM 201 CB1 AIB A 15 0.331 20.031 -8.523 1.00 25.32 C HETATM 202 CB2 AIB A 15 0.470 22.008 -7.015 1.00 43.24 C HETATM 203 H AIB A 15 -1.654 19.702 -7.016 1.00 53.22 H HETATM 204 HB11 AIB A 15 0.200 20.029 -9.595 1.00 34.13 H HETATM 205 HB12 AIB A 15 -0.032 19.100 -8.114 1.00 22.43 H HETATM 206 HB13 AIB A 15 1.380 20.142 -8.289 1.00 61.33 H HETATM 207 HB21 AIB A 15 0.919 21.360 -6.277 1.00 14.34 H HETATM 208 HB22 AIB A 15 -0.102 22.778 -6.519 1.00 51.12 H HETATM 209 HB23 AIB A 15 1.246 22.465 -7.612 1.00 62.42 H ATOM 210 N PRO A 16 -1.866 21.511 -9.872 1.00 20.11 N ATOM 211 CA PRO A 16 -2.472 22.234 -10.994 1.00 14.04 C ATOM 212 C PRO A 16 -3.537 23.226 -10.536 1.00 65.14 C ATOM 213 O PRO A 16 -4.013 24.046 -11.321 1.00 73.13 O ATOM 214 CB PRO A 16 -3.104 21.121 -11.833 1.00 74.11 C ATOM 215 CG PRO A 16 -3.369 20.020 -10.865 1.00 10.01 C ATOM 216 CD PRO A 16 -2.335 20.117 -9.790 1.00 3.32 C ATOM 217 HA PRO A 16 -1.728 22.752 -11.581 1.00 30.42 H ATOM 218 HB2 PRO A 16 -4.019 21.481 -12.283 1.00 0.01 H ATOM 219 HB3 PRO A 16 -2.415 20.811 -12.604 1.00 51.11 H ATOM 220 HG2 PRO A 16 -4.352 20.137 -10.436 1.00 34.22 H ATOM 221 HG3 PRO A 16 -3.286 19.066 -11.363 1.00 75.44 H ATOM 222 HD2 PRO A 16 -2.790 19.919 -8.831 1.00 0.42 H ATOM 223 HD3 PRO A 16 -1.524 19.427 -9.975 1.00 15.34 H HETATM 224 N PHL A 17 -3.905 23.146 -9.262 1.00 4.20 N HETATM 225 CA PHL A 17 -4.913 24.037 -8.700 1.00 53.14 C HETATM 226 C PHL A 17 -4.289 25.001 -7.695 1.00 60.52 C HETATM 227 O PHL A 17 -3.104 25.605 -8.229 1.00 20.45 O HETATM 228 CB PHL A 17 -6.022 23.226 -8.026 1.00 2.21 C HETATM 229 CG PHL A 17 -6.985 22.604 -8.996 1.00 42.44 C HETATM 230 CD1 PHL A 17 -7.913 23.384 -9.667 1.00 71.14 C HETATM 231 CD2 PHL A 17 -6.962 21.240 -9.237 1.00 50.02 C HETATM 232 CE1 PHL A 17 -8.800 22.815 -10.561 1.00 75.15 C HETATM 233 CE2 PHL A 17 -7.847 20.666 -10.130 1.00 64.54 C HETATM 234 CZ PHL A 17 -8.768 21.454 -10.792 1.00 63.43 C HETATM 235 H PHL A 17 -3.488 22.471 -8.685 1.00 51.35 H HETATM 236 HA PHL A 17 -5.339 24.608 -9.511 1.00 62.43 H HETATM 237 HC1 PHL A 17 -5.000 25.779 -7.459 1.00 22.42 H HETATM 238 HC2 PHL A 17 -4.030 24.459 -6.797 1.00 45.52 H HETATM 239 HO PHL A 17 -2.591 24.944 -8.699 1.00 73.54 H HETATM 240 HB2 PHL A 17 -5.576 22.432 -7.447 1.00 65.31 H HETATM 241 HB3 PHL A 17 -6.582 23.874 -7.369 1.00 34.21 H HETATM 242 HD1 PHL A 17 -7.940 24.450 -9.487 1.00 63.51 H HETATM 243 HD2 PHL A 17 -6.243 20.622 -8.720 1.00 11.14 H HETATM 244 HE1 PHL A 17 -9.519 23.434 -11.077 1.00 53.22 H HETATM 245 HE2 PHL A 17 -7.819 19.601 -10.309 1.00 31.11 H HETATM 246 HZ PHL A 17 -9.460 21.007 -11.491 1.00 5.22 H TER 247 PHL A 17