HETATM 1 C ACE A 1 1.571 0.959 -2.268 1.00 11.52 C HETATM 2 O ACE A 1 1.819 2.165 -2.223 1.00 34.31 O HETATM 3 CH3 ACE A 1 2.166 0.009 -1.248 1.00 12.24 C HETATM 4 H1 ACE A 1 2.818 0.555 -0.583 1.00 14.55 H HETATM 5 H2 ACE A 1 2.731 -0.758 -1.756 1.00 33.22 H HETATM 6 H3 ACE A 1 1.371 -0.449 -0.676 1.00 20.01 H ATOM 7 N PHE A 2 0.785 0.417 -3.192 1.00 31.22 N ATOM 8 CA PHE A 2 0.155 1.224 -4.230 1.00 10.42 C ATOM 9 C PHE A 2 -0.831 2.218 -3.622 1.00 43.34 C ATOM 10 O PHE A 2 -0.733 3.424 -3.850 1.00 23.31 O ATOM 11 CB PHE A 2 -0.565 0.326 -5.238 1.00 1.21 C ATOM 12 CG PHE A 2 -0.894 1.019 -6.529 1.00 72.44 C ATOM 13 CD1 PHE A 2 0.082 1.220 -7.492 1.00 24.35 C ATOM 14 CD2 PHE A 2 -2.180 1.468 -6.782 1.00 34.33 C ATOM 15 CE1 PHE A 2 -0.218 1.857 -8.680 1.00 41.24 C ATOM 16 CE2 PHE A 2 -2.487 2.106 -7.969 1.00 62.41 C ATOM 17 CZ PHE A 2 -1.504 2.300 -8.920 1.00 73.41 C ATOM 18 H PHE A 2 0.625 -0.550 -3.175 1.00 62.43 H ATOM 19 HA PHE A 2 0.932 1.772 -4.740 1.00 2.34 H ATOM 20 HB2 PHE A 2 0.063 -0.521 -5.467 1.00 64.22 H ATOM 21 HB3 PHE A 2 -1.489 -0.023 -4.802 1.00 63.10 H ATOM 22 HD1 PHE A 2 1.089 0.873 -7.306 1.00 54.42 H ATOM 23 HD2 PHE A 2 -2.950 1.316 -6.038 1.00 53.00 H ATOM 24 HE1 PHE A 2 0.552 2.007 -9.423 1.00 0.45 H ATOM 25 HE2 PHE A 2 -3.494 2.450 -8.153 1.00 4.00 H ATOM 26 HZ PHE A 2 -1.741 2.798 -9.848 1.00 52.20 H HETATM 27 N AIB A 3 -1.781 1.703 -2.849 1.00 62.22 N HETATM 28 CA AIB A 3 -2.785 2.544 -2.209 1.00 71.13 C HETATM 29 C AIB A 3 -2.093 3.652 -1.422 1.00 35.55 C HETATM 30 O AIB A 3 -2.440 4.826 -1.548 1.00 22.41 O HETATM 31 CB1 AIB A 3 -3.629 1.697 -1.262 1.00 43.11 C HETATM 32 CB2 AIB A 3 -3.684 3.163 -3.275 1.00 24.22 C HETATM 33 H AIB A 3 -1.807 0.734 -2.706 1.00 22.03 H HETATM 34 HB11 AIB A 3 -4.556 2.209 -1.050 1.00 44.31 H HETATM 35 HB12 AIB A 3 -3.086 1.538 -0.342 1.00 14.12 H HETATM 36 HB13 AIB A 3 -3.841 0.744 -1.724 1.00 14.21 H HETATM 37 HB21 AIB A 3 -3.985 2.401 -3.979 1.00 21.15 H HETATM 38 HB22 AIB A 3 -3.143 3.940 -3.795 1.00 22.31 H HETATM 39 HB23 AIB A 3 -4.559 3.586 -2.806 1.00 14.14 H HETATM 40 N AIB A 4 -1.114 3.270 -0.608 1.00 71.55 N HETATM 41 CA AIB A 4 -0.374 4.231 0.200 1.00 63.40 C HETATM 42 C AIB A 4 0.349 5.215 -0.714 1.00 75.54 C HETATM 43 O AIB A 4 0.444 6.403 -0.411 1.00 40.32 O HETATM 44 CB1 AIB A 4 0.647 3.492 1.060 1.00 40.34 C HETATM 45 CB2 AIB A 4 -1.342 4.990 1.100 1.00 11.35 C HETATM 46 H AIB A 4 -0.884 2.319 -0.551 1.00 71.11 H HETATM 47 HB11 AIB A 4 0.905 4.100 1.914 1.00 0.22 H HETATM 48 HB12 AIB A 4 1.534 3.296 0.476 1.00 5.31 H HETATM 49 HB13 AIB A 4 0.224 2.557 1.397 1.00 4.52 H HETATM 50 HB21 AIB A 4 -0.787 5.515 1.865 1.00 73.45 H HETATM 51 HB22 AIB A 4 -2.024 4.293 1.565 1.00 41.20 H HETATM 52 HB23 AIB A 4 -1.901 5.701 0.510 1.00 61.14 H HETATM 53 N AIB A 5 0.855 4.711 -1.835 1.00 24.42 N HETATM 54 CA AIB A 5 1.569 5.545 -2.794 1.00 1.34 C HETATM 55 C AIB A 5 0.682 6.713 -3.210 1.00 53.51 C HETATM 56 O AIB A 5 1.171 7.803 -3.506 1.00 3.02 O HETATM 57 CB1 AIB A 5 1.927 4.716 -4.022 1.00 64.21 C HETATM 58 CB2 AIB A 5 2.845 6.080 -2.151 1.00 70.25 C HETATM 59 H AIB A 5 0.747 3.755 -2.021 1.00 32.21 H HETATM 60 HB11 AIB A 5 3.001 4.684 -4.134 1.00 61.24 H HETATM 61 HB12 AIB A 5 1.487 5.164 -4.900 1.00 52.23 H HETATM 62 HB13 AIB A 5 1.548 3.712 -3.902 1.00 31.22 H HETATM 63 HB21 AIB A 5 2.649 7.046 -1.711 1.00 13.12 H HETATM 64 HB22 AIB A 5 3.614 6.177 -2.904 1.00 75.21 H HETATM 65 HB23 AIB A 5 3.176 5.395 -1.385 1.00 3.12 H HETATM 66 N DIV A 6 -0.626 6.478 -3.231 1.00 12.41 N HETATM 67 CA DIV A 6 -1.582 7.511 -3.611 1.00 52.33 C HETATM 68 CB1 DIV A 6 -1.416 7.837 -5.092 1.00 35.01 C HETATM 69 CG1 DIV A 6 -1.366 6.615 -5.982 1.00 62.14 C HETATM 70 CB2 DIV A 6 -3.000 7.010 -3.357 1.00 1.55 C HETATM 71 C DIV A 6 -1.330 8.767 -2.783 1.00 71.13 C HETATM 72 O DIV A 6 -1.536 9.885 -3.254 1.00 23.20 O HETATM 73 H DIV A 6 -0.956 5.589 -2.985 1.00 1.24 H HETATM 74 HB11 DIV A 6 -0.503 8.396 -5.234 1.00 72.31 H HETATM 75 HB12 DIV A 6 -2.240 8.456 -5.415 1.00 73.23 H HETATM 76 HG11 DIV A 6 -0.502 6.018 -5.727 1.00 15.54 H HETATM 77 HG12 DIV A 6 -1.296 6.924 -7.015 1.00 13.42 H HETATM 78 HG13 DIV A 6 -2.262 6.029 -5.842 1.00 13.44 H HETATM 79 HB21 DIV A 6 -3.705 7.647 -3.871 1.00 65.12 H HETATM 80 HB22 DIV A 6 -3.204 7.031 -2.296 1.00 41.11 H HETATM 81 HB23 DIV A 6 -3.095 5.999 -3.722 1.00 34.52 H ATOM 82 N GLY A 7 -0.883 8.574 -1.546 1.00 11.21 N ATOM 83 CA GLY A 7 -0.610 9.700 -0.672 1.00 14.12 C ATOM 84 C GLY A 7 0.333 10.706 -1.300 1.00 4.31 C ATOM 85 O GLY A 7 0.220 11.909 -1.060 1.00 2.14 O ATOM 86 H GLY A 7 -0.737 7.660 -1.224 1.00 34.10 H ATOM 87 HA2 GLY A 7 -1.542 10.193 -0.437 1.00 43.40 H ATOM 88 HA3 GLY A 7 -0.169 9.332 0.243 1.00 41.32 H ATOM 89 N LEU A 8 1.269 10.215 -2.105 1.00 54.04 N ATOM 90 CA LEU A 8 2.238 11.080 -2.769 1.00 60.21 C ATOM 91 C LEU A 8 1.601 11.807 -3.949 1.00 60.31 C ATOM 92 O LEU A 8 2.076 12.861 -4.371 1.00 34.11 O ATOM 93 CB LEU A 8 3.438 10.261 -3.248 1.00 21.34 C ATOM 94 CG LEU A 8 4.604 10.142 -2.266 1.00 3.52 C ATOM 95 CD1 LEU A 8 4.349 9.026 -1.265 1.00 72.14 C ATOM 96 CD2 LEU A 8 5.908 9.904 -3.013 1.00 23.41 C ATOM 97 H LEU A 8 1.309 9.248 -2.258 1.00 50.32 H ATOM 98 HA LEU A 8 2.575 11.812 -2.051 1.00 25.35 H ATOM 99 HB2 LEU A 8 3.090 9.263 -3.469 1.00 44.52 H ATOM 100 HB3 LEU A 8 3.811 10.720 -4.152 1.00 70.43 H ATOM 101 HG LEU A 8 4.698 11.068 -1.715 1.00 2.31 H ATOM 102 HD11 LEU A 8 3.344 9.111 -0.880 1.00 61.21 H ATOM 103 HD12 LEU A 8 5.054 9.104 -0.451 1.00 64.55 H ATOM 104 HD13 LEU A 8 4.468 8.070 -1.755 1.00 1.24 H ATOM 105 HD21 LEU A 8 6.593 9.361 -2.377 1.00 54.33 H ATOM 106 HD22 LEU A 8 6.346 10.853 -3.285 1.00 41.14 H ATOM 107 HD23 LEU A 8 5.712 9.328 -3.905 1.00 32.21 H HETATM 108 N AIB A 9 0.522 11.237 -4.476 1.00 62.10 N HETATM 109 CA AIB A 9 -0.181 11.832 -5.606 1.00 34.21 C HETATM 110 C AIB A 9 -1.123 12.920 -5.102 1.00 54.11 C HETATM 111 O AIB A 9 -1.592 13.755 -5.875 1.00 12.42 O HETATM 112 CB1 AIB A 9 -0.987 10.756 -6.327 1.00 3.02 C HETATM 113 CB2 AIB A 9 0.830 12.442 -6.571 1.00 22.34 C HETATM 114 H AIB A 9 0.192 10.397 -4.096 1.00 33.41 H HETATM 115 HB11 AIB A 9 -0.335 9.938 -6.597 1.00 3.42 H HETATM 116 HB12 AIB A 9 -1.428 11.174 -7.219 1.00 52.33 H HETATM 117 HB13 AIB A 9 -1.768 10.393 -5.675 1.00 3.41 H HETATM 118 HB21 AIB A 9 1.019 13.468 -6.293 1.00 3.03 H HETATM 119 HB22 AIB A 9 0.435 12.408 -7.575 1.00 63.43 H HETATM 120 HB23 AIB A 9 1.752 11.881 -6.527 1.00 43.11 H HETATM 121 N AIB A 10 -1.396 12.904 -3.802 1.00 34.04 N HETATM 122 CA AIB A 10 -2.283 13.890 -3.195 1.00 23.44 C HETATM 123 C AIB A 10 -1.732 15.290 -3.444 1.00 34.11 C HETATM 124 O AIB A 10 -2.415 16.166 -3.975 1.00 10.34 O HETATM 125 CB1 AIB A 10 -2.371 13.638 -1.693 1.00 64.10 C HETATM 126 CB2 AIB A 10 -3.672 13.772 -3.812 1.00 13.11 C HETATM 127 H AIB A 10 -0.992 12.213 -3.237 1.00 31.20 H HETATM 128 HB11 AIB A 10 -1.892 12.699 -1.457 1.00 5.23 H HETATM 129 HB12 AIB A 10 -3.408 13.598 -1.395 1.00 22.21 H HETATM 130 HB13 AIB A 10 -1.875 14.438 -1.164 1.00 44.41 H HETATM 131 HB21 AIB A 10 -3.625 14.036 -4.858 1.00 40.11 H HETATM 132 HB22 AIB A 10 -4.350 14.441 -3.302 1.00 74.42 H HETATM 133 HB23 AIB A 10 -4.026 12.756 -3.712 1.00 44.45 H HETATM 134 N HYP A 11 -0.468 15.507 -3.053 1.00 10.53 N HETATM 135 CA HYP A 11 0.202 16.800 -3.224 1.00 64.22 C HETATM 136 C HYP A 11 0.172 17.281 -4.671 1.00 2.12 C HETATM 137 O HYP A 11 0.385 18.462 -4.946 1.00 24.54 O HETATM 138 CB HYP A 11 1.641 16.514 -2.786 1.00 11.13 C HETATM 139 CG HYP A 11 1.538 15.314 -1.909 1.00 3.34 C HETATM 140 CD HYP A 11 0.405 14.509 -2.413 1.00 73.53 C HETATM 141 OD1 HYP A 11 1.837 15.645 -0.547 1.00 4.03 O HETATM 142 HA HYP A 11 -0.227 17.557 -2.585 1.00 1.40 H HETATM 143 HB2 HYP A 11 2.253 16.318 -3.655 1.00 74.10 H HETATM 144 HB3 HYP A 11 2.032 17.364 -2.247 1.00 44.14 H HETATM 145 HG HYP A 11 2.218 14.554 -2.265 1.00 35.14 H HETATM 146 HD22 HYP A 11 0.612 13.690 -3.087 1.00 2.22 H HETATM 147 HD23 HYP A 11 -0.035 14.143 -1.497 1.00 53.31 H HETATM 148 HD1 HYP A 11 1.712 14.870 0.006 1.00 4.21 H ATOM 149 N GLN A 12 -0.094 16.360 -5.591 1.00 34.42 N ATOM 150 CA GLN A 12 -0.152 16.691 -7.009 1.00 40.54 C ATOM 151 C GLN A 12 -1.556 17.135 -7.408 1.00 62.42 C ATOM 152 O GLN A 12 -1.750 17.743 -8.460 1.00 63.44 O ATOM 153 CB GLN A 12 0.275 15.490 -7.854 1.00 24.32 C ATOM 154 CG GLN A 12 1.782 15.296 -7.917 1.00 72.33 C ATOM 155 CD GLN A 12 2.495 16.472 -8.554 1.00 63.12 C ATOM 156 OE1 GLN A 12 2.261 16.799 -9.718 1.00 32.10 O ATOM 157 NE2 GLN A 12 3.372 17.116 -7.793 1.00 24.52 N ATOM 158 H GLN A 12 -0.255 15.436 -5.309 1.00 74.51 H ATOM 159 HA GLN A 12 0.533 17.506 -7.187 1.00 42.41 H ATOM 160 HB2 GLN A 12 -0.164 14.596 -7.436 1.00 1.45 H ATOM 161 HB3 GLN A 12 -0.091 15.624 -8.861 1.00 20.12 H ATOM 162 HG2 GLN A 12 2.158 15.167 -6.913 1.00 43.43 H ATOM 163 HG3 GLN A 12 1.993 14.409 -8.496 1.00 22.41 H ATOM 164 HE21 GLN A 12 3.509 16.798 -6.875 1.00 53.01 H ATOM 165 HE22 GLN A 12 3.848 17.879 -8.179 1.00 64.11 H HETATM 166 N DIV A 13 -2.532 16.825 -6.561 1.00 3.32 N HETATM 167 CA DIV A 13 -3.918 17.191 -6.825 1.00 42.43 C HETATM 168 CB1 DIV A 13 -4.362 16.578 -8.149 1.00 20.21 C HETATM 169 CG1 DIV A 13 -3.663 15.278 -8.483 1.00 33.05 C HETATM 170 CB2 DIV A 13 -4.805 16.670 -5.700 1.00 31.40 C HETATM 171 C DIV A 13 -4.036 18.710 -6.904 1.00 35.23 C HETATM 172 O DIV A 13 -4.587 19.266 -7.854 1.00 70.33 O HETATM 173 H DIV A 13 -2.314 16.339 -5.738 1.00 52.52 H HETATM 174 HB11 DIV A 13 -4.171 17.278 -8.949 1.00 2.24 H HETATM 175 HB12 DIV A 13 -5.425 16.390 -8.116 1.00 50.42 H HETATM 176 HG11 DIV A 13 -4.255 14.724 -9.196 1.00 35.43 H HETATM 177 HG12 DIV A 13 -3.543 14.693 -7.583 1.00 23.12 H HETATM 178 HG13 DIV A 13 -2.693 15.489 -8.907 1.00 52.43 H HETATM 179 HB21 DIV A 13 -5.719 16.272 -6.117 1.00 1.43 H HETATM 180 HB22 DIV A 13 -5.040 17.477 -5.022 1.00 44.35 H HETATM 181 HB23 DIV A 13 -4.285 15.890 -5.164 1.00 20.52 H HETATM 182 N HYP A 14 -3.508 19.399 -5.881 1.00 73.41 N HETATM 183 CA HYP A 14 -3.542 20.862 -5.811 1.00 50.43 C HETATM 184 C HYP A 14 -2.419 21.507 -6.616 1.00 42.22 C HETATM 185 O HYP A 14 -2.349 22.730 -6.732 1.00 43.30 O HETATM 186 CB HYP A 14 -3.364 21.151 -4.319 1.00 23.45 C HETATM 187 CG HYP A 14 -2.674 19.945 -3.780 1.00 2.12 C HETATM 188 CD HYP A 14 -2.837 18.801 -4.714 1.00 41.35 C HETATM 189 OD1 HYP A 14 -3.285 19.503 -2.561 1.00 52.34 O HETATM 190 HA HYP A 14 -4.492 21.254 -6.144 1.00 73.31 H HETATM 191 HB2 HYP A 14 -2.764 22.041 -4.190 1.00 63.43 H HETATM 192 HB3 HYP A 14 -4.330 21.291 -3.857 1.00 43.45 H HETATM 193 HG HYP A 14 -1.632 20.177 -3.611 1.00 35.50 H HETATM 194 HD22 HYP A 14 -1.889 18.366 -4.996 1.00 15.02 H HETATM 195 HD23 HYP A 14 -3.469 18.063 -4.243 1.00 64.34 H HETATM 196 HD1 HYP A 14 -3.603 20.263 -2.069 1.00 12.35 H HETATM 197 N AIB A 15 -1.542 20.676 -7.171 1.00 13.42 N HETATM 198 CA AIB A 15 -0.422 21.166 -7.965 1.00 54.35 C HETATM 199 C AIB A 15 -0.947 22.049 -9.093 1.00 41.00 C HETATM 200 O AIB A 15 -0.571 23.214 -9.229 1.00 31.42 O HETATM 201 CB1 AIB A 15 0.337 19.983 -8.557 1.00 40.51 C HETATM 202 CB2 AIB A 15 0.514 21.979 -7.077 1.00 61.24 C HETATM 203 H AIB A 15 -1.651 19.711 -7.043 1.00 13.24 H HETATM 204 HB11 AIB A 15 -0.042 19.065 -8.134 1.00 61.45 H HETATM 205 HB12 AIB A 15 1.388 20.079 -8.327 1.00 51.12 H HETATM 206 HB13 AIB A 15 0.203 19.969 -9.629 1.00 12.23 H HETATM 207 HB21 AIB A 15 0.897 21.350 -6.288 1.00 24.43 H HETATM 208 HB22 AIB A 15 -0.028 22.808 -6.646 1.00 64.24 H HETATM 209 HB23 AIB A 15 1.336 22.354 -7.669 1.00 54.53 H ATOM 210 N PRO A 16 -1.837 21.484 -9.923 1.00 24.25 N ATOM 211 CA PRO A 16 -2.432 22.202 -11.053 1.00 54.10 C ATOM 212 C PRO A 16 -3.478 23.219 -10.608 1.00 22.23 C ATOM 213 O PRO A 16 -3.942 24.036 -11.403 1.00 60.01 O ATOM 214 CB PRO A 16 -3.086 21.089 -11.876 1.00 24.10 C ATOM 215 CG PRO A 16 -3.368 20.006 -10.892 1.00 42.32 C ATOM 216 CD PRO A 16 -2.330 20.100 -9.820 1.00 42.14 C ATOM 217 HA PRO A 16 -1.680 22.698 -11.649 1.00 11.34 H ATOM 218 HB2 PRO A 16 -3.995 21.459 -12.329 1.00 64.11 H ATOM 219 HB3 PRO A 16 -2.404 20.756 -12.644 1.00 5.32 H ATOM 220 HG2 PRO A 16 -4.348 20.146 -10.463 1.00 51.50 H ATOM 221 HG3 PRO A 16 -3.303 19.044 -11.378 1.00 32.33 H ATOM 222 HD2 PRO A 16 -2.787 19.924 -8.858 1.00 24.41 H ATOM 223 HD3 PRO A 16 -1.532 19.393 -9.997 1.00 14.31 H HETATM 224 N PHL A 17 -3.844 23.164 -9.332 1.00 33.55 N HETATM 225 CA PHL A 17 -4.836 24.080 -8.780 1.00 61.15 C HETATM 226 C PHL A 17 -4.194 25.041 -7.784 1.00 60.21 C HETATM 227 O PHL A 17 -2.794 25.197 -8.048 1.00 31.23 O HETATM 228 CB PHL A 17 -5.961 23.298 -8.100 1.00 32.03 C HETATM 229 CG PHL A 17 -6.940 22.693 -9.065 1.00 51.31 C HETATM 230 CD1 PHL A 17 -6.986 21.322 -9.258 1.00 32.01 C HETATM 231 CD2 PHL A 17 -7.814 23.496 -9.780 1.00 50.32 C HETATM 232 CE1 PHL A 17 -7.886 20.762 -10.145 1.00 50.22 C HETATM 233 CE2 PHL A 17 -8.716 22.942 -10.668 1.00 53.25 C HETATM 234 CZ PHL A 17 -8.752 21.574 -10.852 1.00 65.32 C HETATM 235 H PHL A 17 -3.438 22.490 -8.746 1.00 74.44 H HETATM 236 HA PHL A 17 -5.249 24.651 -9.598 1.00 21.52 H HETATM 237 HC1 PHL A 17 -4.672 26.006 -7.862 1.00 12.13 H HETATM 238 HC2 PHL A 17 -4.318 24.652 -6.784 1.00 54.40 H HETATM 239 HO PHL A 17 -2.294 25.001 -7.252 1.00 33.22 H HETATM 240 HB2 PHL A 17 -5.532 22.496 -7.518 1.00 0.54 H HETATM 241 HB3 PHL A 17 -6.506 23.962 -7.445 1.00 25.51 H HETATM 242 HD1 PHL A 17 -6.309 20.686 -8.705 1.00 62.01 H HETATM 243 HD2 PHL A 17 -7.787 24.567 -9.639 1.00 30.34 H HETATM 244 HE1 PHL A 17 -7.911 19.692 -10.286 1.00 63.22 H HETATM 245 HE2 PHL A 17 -9.392 23.579 -11.220 1.00 63.23 H HETATM 246 HZ PHL A 17 -9.456 21.138 -11.545 1.00 43.43 H TER 247 PHL A 17