HETATM 1 C ACE A 1 1.689 0.914 -2.101 1.00 63.41 C HETATM 2 O ACE A 1 1.928 2.121 -2.072 1.00 13.14 O HETATM 3 CH3 ACE A 1 2.272 -0.015 -1.054 1.00 74.33 C HETATM 4 H1 ACE A 1 3.348 -0.027 -1.140 1.00 53.14 H HETATM 5 H2 ACE A 1 1.887 -1.014 -1.204 1.00 45.40 H HETATM 6 H3 ACE A 1 1.993 0.332 -0.069 1.00 44.54 H ATOM 7 N PHE A 2 0.925 0.350 -3.030 1.00 53.04 N ATOM 8 CA PHE A 2 0.309 1.136 -4.093 1.00 73.23 C ATOM 9 C PHE A 2 -0.695 2.132 -3.521 1.00 53.21 C ATOM 10 O PHE A 2 -0.602 3.334 -3.767 1.00 4.43 O ATOM 11 CB PHE A 2 -0.386 0.216 -5.100 1.00 24.13 C ATOM 12 CG PHE A 2 -0.692 0.883 -6.410 1.00 3.30 C ATOM 13 CD1 PHE A 2 0.315 1.485 -7.148 1.00 0.34 C ATOM 14 CD2 PHE A 2 -1.986 0.908 -6.904 1.00 43.23 C ATOM 15 CE1 PHE A 2 0.036 2.101 -8.353 1.00 71.32 C ATOM 16 CE2 PHE A 2 -2.271 1.522 -8.110 1.00 21.24 C ATOM 17 CZ PHE A 2 -1.258 2.118 -8.835 1.00 74.14 C ATOM 18 H PHE A 2 0.772 -0.618 -3.001 1.00 15.11 H ATOM 19 HA PHE A 2 1.092 1.681 -4.597 1.00 54.04 H ATOM 20 HB2 PHE A 2 0.252 -0.632 -5.301 1.00 34.12 H ATOM 21 HB3 PHE A 2 -1.316 -0.131 -4.677 1.00 15.42 H ATOM 22 HD1 PHE A 2 1.328 1.472 -6.773 1.00 32.35 H ATOM 23 HD2 PHE A 2 -2.779 0.441 -6.337 1.00 41.50 H ATOM 24 HE1 PHE A 2 0.829 2.566 -8.919 1.00 23.11 H ATOM 25 HE2 PHE A 2 -3.284 1.533 -8.483 1.00 40.25 H ATOM 26 HZ PHE A 2 -1.479 2.598 -9.777 1.00 0.42 H HETATM 27 N AIB A 3 -1.656 1.622 -2.757 1.00 41.51 N HETATM 28 CA AIB A 3 -2.678 2.466 -2.150 1.00 50.52 C HETATM 29 C AIB A 3 -2.009 3.592 -1.368 1.00 53.23 C HETATM 30 O AIB A 3 -2.362 4.761 -1.521 1.00 5.42 O HETATM 31 CB1 AIB A 3 -3.533 1.629 -1.205 1.00 11.21 C HETATM 32 CB2 AIB A 3 -3.561 3.061 -3.242 1.00 61.14 C HETATM 33 H AIB A 3 -1.678 0.656 -2.598 1.00 63.00 H HETATM 34 HB11 AIB A 3 -4.403 2.196 -0.908 1.00 51.55 H HETATM 35 HB12 AIB A 3 -2.955 1.372 -0.329 1.00 54.13 H HETATM 36 HB13 AIB A 3 -3.846 0.726 -1.707 1.00 74.04 H HETATM 37 HB21 AIB A 3 -3.917 2.271 -3.887 1.00 35.12 H HETATM 38 HB22 AIB A 3 -2.988 3.768 -3.823 1.00 43.34 H HETATM 39 HB23 AIB A 3 -4.403 3.564 -2.791 1.00 3.45 H HETATM 40 N AIB A 4 -1.043 3.231 -0.531 1.00 4.02 N HETATM 41 CA AIB A 4 -0.324 4.211 0.275 1.00 34.11 C HETATM 42 C AIB A 4 0.408 5.185 -0.642 1.00 31.20 C HETATM 43 O AIB A 4 0.489 6.379 -0.357 1.00 51.22 O HETATM 44 CB1 AIB A 4 0.685 3.495 1.166 1.00 61.41 C HETATM 45 CB2 AIB A 4 -1.315 4.978 1.144 1.00 0.34 C HETATM 46 H AIB A 4 -0.807 2.283 -0.453 1.00 40.22 H HETATM 47 HB11 AIB A 4 1.548 3.214 0.580 1.00 53.55 H HETATM 48 HB12 AIB A 4 0.231 2.608 1.584 1.00 10.53 H HETATM 49 HB13 AIB A 4 0.992 4.154 1.965 1.00 75.51 H HETATM 50 HB21 AIB A 4 -1.868 5.675 0.531 1.00 23.24 H HETATM 51 HB22 AIB A 4 -0.778 5.519 1.910 1.00 54.42 H HETATM 52 HB23 AIB A 4 -2.000 4.284 1.608 1.00 73.01 H HETATM 53 N AIB A 5 0.940 4.666 -1.744 1.00 33.11 N HETATM 54 CA AIB A 5 1.665 5.490 -2.703 1.00 64.10 C HETATM 55 C AIB A 5 0.778 6.645 -3.155 1.00 2.14 C HETATM 56 O AIB A 5 1.266 7.733 -3.458 1.00 40.33 O HETATM 57 CB1 AIB A 5 2.051 4.643 -3.911 1.00 65.01 C HETATM 58 CB2 AIB A 5 2.926 6.043 -2.047 1.00 12.45 C HETATM 59 H AIB A 5 0.842 3.706 -1.916 1.00 14.42 H HETATM 60 HB11 AIB A 5 1.623 5.074 -4.804 1.00 63.53 H HETATM 61 HB12 AIB A 5 1.677 3.638 -3.781 1.00 4.23 H HETATM 62 HB13 AIB A 5 3.127 4.617 -4.004 1.00 3.32 H HETATM 63 HB21 AIB A 5 3.590 6.426 -2.808 1.00 32.14 H HETATM 64 HB22 AIB A 5 3.422 5.256 -1.499 1.00 32.15 H HETATM 65 HB23 AIB A 5 2.658 6.840 -1.369 1.00 2.35 H HETATM 66 N DIV A 6 -0.527 6.401 -3.196 1.00 74.54 N HETATM 67 CA DIV A 6 -1.483 7.421 -3.611 1.00 60.40 C HETATM 68 CB1 DIV A 6 -1.293 7.722 -5.094 1.00 34.11 C HETATM 69 CG1 DIV A 6 -1.219 6.485 -5.962 1.00 40.11 C HETATM 70 CB2 DIV A 6 -2.902 6.915 -3.372 1.00 41.03 C HETATM 71 C DIV A 6 -1.253 8.692 -2.801 1.00 31.25 C HETATM 72 O DIV A 6 -1.452 9.800 -3.296 1.00 15.35 O HETATM 73 H DIV A 6 -0.856 5.513 -2.942 1.00 42.03 H HETATM 74 HB11 DIV A 6 -0.382 8.284 -5.230 1.00 5.52 H HETATM 75 HB12 DIV A 6 -2.116 8.329 -5.442 1.00 45.43 H HETATM 76 HG11 DIV A 6 -1.563 6.723 -6.958 1.00 1.00 H HETATM 77 HG12 DIV A 6 -1.844 5.711 -5.541 1.00 2.51 H HETATM 78 HG13 DIV A 6 -0.197 6.138 -6.007 1.00 74.05 H HETATM 79 HB21 DIV A 6 -3.128 6.962 -2.317 1.00 53.54 H HETATM 80 HB22 DIV A 6 -2.982 5.893 -3.712 1.00 43.01 H HETATM 81 HB23 DIV A 6 -3.600 7.532 -3.919 1.00 34.44 H ATOM 82 N GLY A 7 -0.832 8.523 -1.551 1.00 31.14 N ATOM 83 CA GLY A 7 -0.582 9.665 -0.691 1.00 52.43 C ATOM 84 C GLY A 7 0.354 10.675 -1.326 1.00 73.32 C ATOM 85 O GLY A 7 0.211 11.881 -1.119 1.00 61.45 O ATOM 86 H GLY A 7 -0.690 7.615 -1.209 1.00 52.12 H ATOM 87 HA2 GLY A 7 -1.522 10.150 -0.472 1.00 31.50 H ATOM 88 HA3 GLY A 7 -0.144 9.317 0.233 1.00 41.24 H ATOM 89 N LEU A 8 1.315 10.183 -2.100 1.00 32.40 N ATOM 90 CA LEU A 8 2.280 11.050 -2.766 1.00 51.25 C ATOM 91 C LEU A 8 1.646 11.752 -3.963 1.00 14.31 C ATOM 92 O LEU A 8 2.081 12.831 -4.365 1.00 21.32 O ATOM 93 CB LEU A 8 3.495 10.240 -3.221 1.00 72.24 C ATOM 94 CG LEU A 8 4.217 9.445 -2.133 1.00 61.31 C ATOM 95 CD1 LEU A 8 5.617 9.066 -2.589 1.00 64.34 C ATOM 96 CD2 LEU A 8 4.274 10.242 -0.838 1.00 54.55 C ATOM 97 H LEU A 8 1.378 9.213 -2.227 1.00 11.41 H ATOM 98 HA LEU A 8 2.601 11.797 -2.055 1.00 71.51 H ATOM 99 HB2 LEU A 8 3.164 9.542 -3.975 1.00 55.43 H ATOM 100 HB3 LEU A 8 4.206 10.928 -3.657 1.00 73.41 H ATOM 101 HG LEU A 8 3.671 8.532 -1.941 1.00 33.52 H ATOM 102 HD11 LEU A 8 6.179 8.686 -1.750 1.00 30.44 H ATOM 103 HD12 LEU A 8 6.114 9.937 -2.990 1.00 13.33 H ATOM 104 HD13 LEU A 8 5.553 8.306 -3.354 1.00 62.42 H ATOM 105 HD21 LEU A 8 3.322 10.175 -0.333 1.00 34.12 H ATOM 106 HD22 LEU A 8 4.489 11.277 -1.062 1.00 44.25 H ATOM 107 HD23 LEU A 8 5.049 9.842 -0.202 1.00 73.24 H HETATM 108 N AIB A 9 0.613 11.134 -4.526 1.00 70.32 N HETATM 109 CA AIB A 9 -0.083 11.700 -5.675 1.00 41.42 C HETATM 110 C AIB A 9 -1.092 12.739 -5.197 1.00 33.41 C HETATM 111 O AIB A 9 -1.579 13.553 -5.981 1.00 30.30 O HETATM 112 CB1 AIB A 9 -0.812 10.591 -6.426 1.00 22.11 C HETATM 113 CB2 AIB A 9 0.928 12.364 -6.605 1.00 15.22 C HETATM 114 H AIB A 9 0.312 10.276 -4.160 1.00 41.15 H HETATM 115 HB11 AIB A 9 -1.178 10.973 -7.367 1.00 44.34 H HETATM 116 HB12 AIB A 9 -1.643 10.241 -5.832 1.00 72.42 H HETATM 117 HB13 AIB A 9 -0.131 9.773 -6.610 1.00 21.13 H HETATM 118 HB21 AIB A 9 0.567 12.316 -7.622 1.00 21.12 H HETATM 119 HB22 AIB A 9 1.874 11.850 -6.534 1.00 25.34 H HETATM 120 HB23 AIB A 9 1.057 13.397 -6.317 1.00 54.23 H HETATM 121 N AIB A 10 -1.402 12.704 -3.905 1.00 32.10 N HETATM 122 CA AIB A 10 -2.354 13.642 -3.322 1.00 42.00 C HETATM 123 C AIB A 10 -1.867 15.069 -3.551 1.00 65.25 C HETATM 124 O AIB A 10 -2.576 15.912 -4.101 1.00 4.23 O HETATM 125 CB1 AIB A 10 -2.473 13.380 -1.824 1.00 52.24 C HETATM 126 CB2 AIB A 10 -3.717 13.458 -3.981 1.00 10.35 C HETATM 127 H AIB A 10 -0.981 12.031 -3.330 1.00 42.44 H HETATM 128 HB11 AIB A 10 -3.516 13.287 -1.557 1.00 65.53 H HETATM 129 HB12 AIB A 10 -2.034 14.203 -1.279 1.00 73.31 H HETATM 130 HB13 AIB A 10 -1.954 12.466 -1.576 1.00 54.12 H HETATM 131 HB21 AIB A 10 -4.023 12.426 -3.893 1.00 41.23 H HETATM 132 HB22 AIB A 10 -3.652 13.727 -5.024 1.00 42.45 H HETATM 133 HB23 AIB A 10 -4.442 14.091 -3.490 1.00 42.32 H HETATM 134 N HYP A 11 -0.627 15.347 -3.122 1.00 1.44 N HETATM 135 CA HYP A 11 -0.017 16.672 -3.270 1.00 2.12 C HETATM 136 C HYP A 11 -0.027 17.157 -4.716 1.00 20.53 C HETATM 137 O HYP A 11 0.137 18.347 -4.981 1.00 74.14 O HETATM 138 CB HYP A 11 1.420 16.457 -2.788 1.00 62.42 C HETATM 139 CG HYP A 11 1.351 15.250 -1.917 1.00 71.24 C HETATM 140 CD HYP A 11 0.275 14.391 -2.458 1.00 73.33 C HETATM 141 OD1 HYP A 11 1.542 15.597 -0.540 1.00 55.02 O HETATM 142 HA HYP A 11 -0.502 17.405 -2.642 1.00 54.04 H HETATM 143 HB2 HYP A 11 2.067 16.294 -3.639 1.00 1.41 H HETATM 144 HB3 HYP A 11 1.752 17.323 -2.236 1.00 64.13 H HETATM 145 HG HYP A 11 2.104 14.541 -2.230 1.00 54.42 H HETATM 146 HD22 HYP A 11 0.541 13.585 -3.126 1.00 44.24 H HETATM 147 HD23 HYP A 11 -0.173 14.002 -1.556 1.00 33.03 H HETATM 148 HD1 HYP A 11 1.320 14.845 0.013 1.00 25.45 H ATOM 149 N GLN A 12 -0.221 16.226 -5.645 1.00 45.52 N ATOM 150 CA GLN A 12 -0.252 16.560 -7.064 1.00 43.33 C ATOM 151 C GLN A 12 -1.663 16.933 -7.505 1.00 13.31 C ATOM 152 O GLN A 12 -1.856 17.534 -8.562 1.00 23.33 O ATOM 153 CB GLN A 12 0.262 15.385 -7.898 1.00 34.23 C ATOM 154 CG GLN A 12 1.777 15.266 -7.914 1.00 41.41 C ATOM 155 CD GLN A 12 2.449 16.464 -8.556 1.00 1.45 C ATOM 156 OE1 GLN A 12 2.292 16.712 -9.752 1.00 4.05 O ATOM 157 NE2 GLN A 12 3.203 17.216 -7.762 1.00 30.12 N ATOM 158 H GLN A 12 -0.345 15.295 -5.370 1.00 63.45 H ATOM 159 HA GLN A 12 0.396 17.409 -7.219 1.00 45.51 H ATOM 160 HB2 GLN A 12 -0.145 14.469 -7.496 1.00 14.02 H ATOM 161 HB3 GLN A 12 -0.079 15.505 -8.916 1.00 32.35 H ATOM 162 HG2 GLN A 12 2.130 15.178 -6.897 1.00 74.42 H ATOM 163 HG3 GLN A 12 2.050 14.380 -8.467 1.00 72.22 H ATOM 164 HE21 GLN A 12 3.283 16.957 -6.819 1.00 50.33 H ATOM 165 HE22 GLN A 12 3.650 17.996 -8.150 1.00 73.21 H HETATM 166 N DIV A 13 -2.648 16.573 -6.688 1.00 5.13 N HETATM 167 CA DIV A 13 -4.042 16.870 -6.994 1.00 23.23 C HETATM 168 CB1 DIV A 13 -4.415 16.236 -8.330 1.00 20.03 C HETATM 169 CG1 DIV A 13 -3.643 14.973 -8.642 1.00 23.15 C HETATM 170 CB2 DIV A 13 -4.935 16.303 -5.895 1.00 40.21 C HETATM 171 C DIV A 13 -4.234 18.380 -7.076 1.00 43.44 C HETATM 172 O DIV A 13 -4.785 18.909 -8.042 1.00 35.31 O HETATM 173 H DIV A 13 -2.431 16.097 -5.860 1.00 22.45 H HETATM 174 HB11 DIV A 13 -4.235 16.946 -9.124 1.00 32.34 H HETATM 175 HB12 DIV A 13 -5.468 15.996 -8.329 1.00 22.34 H HETATM 176 HG11 DIV A 13 -4.184 14.392 -9.374 1.00 25.32 H HETATM 177 HG12 DIV A 13 -3.522 14.392 -7.739 1.00 14.42 H HETATM 178 HG13 DIV A 13 -2.671 15.233 -9.035 1.00 21.24 H HETATM 179 HB21 DIV A 13 -4.394 15.546 -5.346 1.00 54.22 H HETATM 180 HB22 DIV A 13 -5.817 15.865 -6.338 1.00 51.44 H HETATM 181 HB23 DIV A 13 -5.226 17.097 -5.223 1.00 20.33 H HETATM 182 N HYP A 14 -3.768 19.094 -6.041 1.00 11.05 N HETATM 183 CA HYP A 14 -3.877 20.554 -5.973 1.00 4.32 C HETATM 184 C HYP A 14 -2.757 21.255 -6.735 1.00 72.24 C HETATM 185 O HYP A 14 -2.740 22.480 -6.845 1.00 13.44 O HETATM 186 CB HYP A 14 -3.769 20.849 -4.475 1.00 23.14 C HETATM 187 CG HYP A 14 -3.045 19.676 -3.909 1.00 71.10 C HETATM 188 CD HYP A 14 -3.099 18.530 -4.856 1.00 15.32 C HETATM 189 OD1 HYP A 14 -3.613 19.276 -2.655 1.00 45.52 O HETATM 190 HA HYP A 14 -4.832 20.899 -6.341 1.00 61.32 H HETATM 191 HB2 HYP A 14 -3.216 21.765 -4.324 1.00 45.43 H HETATM 192 HB3 HYP A 14 -4.757 20.945 -4.051 1.00 21.33 H HETATM 193 HG HYP A 14 -2.003 19.928 -3.782 1.00 64.12 H HETATM 194 HD22 HYP A 14 -2.121 18.150 -5.110 1.00 32.33 H HETATM 195 HD23 HYP A 14 -3.703 17.756 -4.406 1.00 24.52 H HETATM 196 HD1 HYP A 14 -3.254 18.424 -2.398 1.00 61.23 H HETATM 197 N AIB A 15 -1.824 20.468 -7.262 1.00 1.54 N HETATM 198 CA AIB A 15 -0.701 21.014 -8.015 1.00 10.04 C HETATM 199 C AIB A 15 -1.226 21.877 -9.157 1.00 13.21 C HETATM 200 O AIB A 15 -0.894 23.056 -9.280 1.00 15.42 O HETATM 201 CB1 AIB A 15 0.133 19.871 -8.583 1.00 70.23 C HETATM 202 CB2 AIB A 15 0.165 21.865 -7.091 1.00 71.43 C HETATM 203 H AIB A 15 -1.892 19.499 -7.141 1.00 32.44 H HETATM 204 HB11 AIB A 15 0.042 19.859 -9.659 1.00 52.34 H HETATM 205 HB12 AIB A 15 -0.221 18.933 -8.182 1.00 21.31 H HETATM 206 HB13 AIB A 15 1.169 20.011 -8.311 1.00 72.13 H HETATM 207 HB21 AIB A 15 0.921 22.372 -7.673 1.00 32.33 H HETATM 208 HB22 AIB A 15 0.640 21.230 -6.358 1.00 2.11 H HETATM 209 HB23 AIB A 15 -0.453 22.594 -6.589 1.00 52.45 H ATOM 210 N PRO A 16 -2.066 21.278 -10.014 1.00 33.11 N ATOM 211 CA PRO A 16 -2.656 21.974 -11.161 1.00 60.14 C ATOM 212 C PRO A 16 -3.200 23.349 -10.789 1.00 30.34 C ATOM 213 O PRO A 16 -3.194 24.272 -11.603 1.00 72.34 O ATOM 214 CB PRO A 16 -3.795 21.047 -11.591 1.00 74.44 C ATOM 215 CG PRO A 16 -3.384 19.696 -11.117 1.00 64.44 C ATOM 216 CD PRO A 16 -2.505 19.875 -9.928 1.00 54.04 C ATOM 217 HA PRO A 16 -1.948 22.076 -11.971 1.00 24.35 H ATOM 218 HB2 PRO A 16 -4.717 21.365 -11.126 1.00 55.51 H ATOM 219 HB3 PRO A 16 -3.900 21.073 -12.666 1.00 21.14 H ATOM 220 HG2 PRO A 16 -4.255 19.124 -10.837 1.00 22.43 H ATOM 221 HG3 PRO A 16 -2.833 19.186 -11.895 1.00 10.45 H ATOM 222 HD2 PRO A 16 -3.018 19.687 -8.996 1.00 42.45 H ATOM 223 HD3 PRO A 16 -1.668 19.202 -10.043 1.00 14.10 H HETATM 224 N PHL A 17 -3.669 23.479 -9.552 1.00 75.21 N HETATM 225 CA PHL A 17 -4.218 24.742 -9.072 1.00 22.35 C HETATM 226 C PHL A 17 -3.134 25.588 -8.410 1.00 53.52 C HETATM 227 O PHL A 17 -2.675 26.618 -9.294 1.00 44.51 O HETATM 228 CB PHL A 17 -5.355 24.484 -8.081 1.00 12.11 C HETATM 229 CG PHL A 17 -6.676 24.214 -8.742 1.00 74.32 C HETATM 230 CD1 PHL A 17 -7.323 25.207 -9.459 1.00 54.22 C HETATM 231 CD2 PHL A 17 -7.271 22.966 -8.646 1.00 55.14 C HETATM 232 CE1 PHL A 17 -8.539 24.962 -10.069 1.00 72.43 C HETATM 233 CE2 PHL A 17 -8.487 22.715 -9.255 1.00 23.43 C HETATM 234 CZ PHL A 17 -9.122 23.714 -9.966 1.00 20.21 C HETATM 235 H PHL A 17 -3.647 22.706 -8.949 1.00 11.54 H HETATM 236 HA PHL A 17 -4.608 25.278 -9.923 1.00 3.13 H HETATM 237 HC1 PHL A 17 -3.536 26.048 -7.519 1.00 50.43 H HETATM 238 HC2 PHL A 17 -2.299 24.956 -8.148 1.00 43.44 H HETATM 239 HO PHL A 17 -2.085 26.239 -9.949 1.00 64.34 H HETATM 240 HB2 PHL A 17 -5.107 23.627 -7.474 1.00 30.51 H HETATM 241 HB3 PHL A 17 -5.472 25.349 -7.445 1.00 65.31 H HETATM 242 HD1 PHL A 17 -6.868 26.184 -9.540 1.00 51.44 H HETATM 243 HD2 PHL A 17 -6.777 22.184 -8.090 1.00 23.14 H HETATM 244 HE1 PHL A 17 -9.033 25.745 -10.625 1.00 2.45 H HETATM 245 HE2 PHL A 17 -8.941 21.738 -9.172 1.00 45.21 H HETATM 246 HZ PHL A 17 -10.071 23.520 -10.442 1.00 73.43 H TER 247 PHL A 17