HETATM 1 C ACE A 1 1.451 0.877 -2.205 1.00 45.31 C HETATM 2 O ACE A 1 1.719 2.077 -2.142 1.00 51.50 O HETATM 3 CH3 ACE A 1 2.024 -0.097 -1.194 1.00 51.44 C HETATM 4 H1 ACE A 1 3.100 -0.114 -1.280 1.00 30.44 H HETATM 5 H2 ACE A 1 1.631 -1.085 -1.383 1.00 41.11 H HETATM 6 H3 ACE A 1 1.747 0.215 -0.197 1.00 43.20 H ATOM 7 N PHE A 2 0.662 0.361 -3.141 1.00 65.43 N ATOM 8 CA PHE A 2 0.053 1.193 -4.172 1.00 32.30 C ATOM 9 C PHE A 2 -0.887 2.223 -3.553 1.00 54.14 C ATOM 10 O PHE A 2 -0.752 3.423 -3.789 1.00 43.32 O ATOM 11 CB PHE A 2 -0.712 0.324 -5.173 1.00 21.24 C ATOM 12 CG PHE A 2 -1.018 1.026 -6.465 1.00 22.41 C ATOM 13 CD1 PHE A 2 -2.151 1.813 -6.590 1.00 34.54 C ATOM 14 CD2 PHE A 2 -0.172 0.899 -7.555 1.00 24.24 C ATOM 15 CE1 PHE A 2 -2.435 2.459 -7.778 1.00 35.31 C ATOM 16 CE2 PHE A 2 -0.450 1.543 -8.745 1.00 73.04 C ATOM 17 CZ PHE A 2 -1.583 2.325 -8.857 1.00 33.24 C ATOM 18 H PHE A 2 0.487 -0.604 -3.139 1.00 54.12 H ATOM 19 HA PHE A 2 0.845 1.711 -4.690 1.00 30.11 H ATOM 20 HB2 PHE A 2 -0.123 -0.551 -5.402 1.00 61.34 H ATOM 21 HB3 PHE A 2 -1.648 0.017 -4.730 1.00 43.13 H ATOM 22 HD1 PHE A 2 -2.818 1.919 -5.747 1.00 12.23 H ATOM 23 HD2 PHE A 2 0.716 0.287 -7.468 1.00 52.34 H ATOM 24 HE1 PHE A 2 -3.322 3.070 -7.862 1.00 61.43 H ATOM 25 HE2 PHE A 2 0.218 1.436 -9.587 1.00 23.03 H ATOM 26 HZ PHE A 2 -1.803 2.828 -9.786 1.00 53.31 H HETATM 27 N AIB A 3 -1.841 1.745 -2.761 1.00 72.42 N HETATM 28 CA AIB A 3 -2.805 2.623 -2.109 1.00 3.10 C HETATM 29 C AIB A 3 -2.062 3.712 -1.342 1.00 21.23 C HETATM 30 O AIB A 3 -2.375 4.895 -1.465 1.00 41.53 O HETATM 31 CB1 AIB A 3 -3.659 1.811 -1.141 1.00 4.23 C HETATM 32 CB2 AIB A 3 -3.702 3.265 -3.162 1.00 45.12 C HETATM 33 H AIB A 3 -1.898 0.778 -2.612 1.00 31.01 H HETATM 34 HB11 AIB A 3 -3.023 1.163 -0.556 1.00 64.35 H HETATM 35 HB12 AIB A 3 -4.366 1.215 -1.698 1.00 12.03 H HETATM 36 HB13 AIB A 3 -4.192 2.481 -0.482 1.00 42.03 H HETATM 37 HB21 AIB A 3 -3.147 4.026 -3.692 1.00 32.13 H HETATM 38 HB22 AIB A 3 -4.558 3.713 -2.681 1.00 13.21 H HETATM 39 HB23 AIB A 3 -4.034 2.511 -3.860 1.00 32.21 H HETATM 40 N AIB A 4 -1.076 3.303 -0.549 1.00 75.23 N HETATM 41 CA AIB A 4 -0.289 4.244 0.238 1.00 21.42 C HETATM 42 C AIB A 4 0.441 5.202 -0.696 1.00 41.53 C HETATM 43 O AIB A 4 0.585 6.387 -0.397 1.00 0.41 O HETATM 44 CB1 AIB A 4 0.729 3.477 1.077 1.00 52.53 C HETATM 45 CB2 AIB A 4 -1.213 5.035 1.158 1.00 62.10 C HETATM 46 H AIB A 4 -0.874 2.346 -0.493 1.00 34.20 H HETATM 47 HB11 AIB A 4 1.596 3.252 0.473 1.00 33.03 H HETATM 48 HB12 AIB A 4 0.286 2.557 1.428 1.00 12.55 H HETATM 49 HB13 AIB A 4 1.026 4.080 1.922 1.00 14.42 H HETATM 50 HB21 AIB A 4 -1.904 4.360 1.641 1.00 3.15 H HETATM 51 HB22 AIB A 4 -1.764 5.760 0.577 1.00 32.35 H HETATM 52 HB23 AIB A 4 -0.625 5.545 1.906 1.00 2.34 H HETATM 53 N AIB A 5 0.900 4.682 -1.830 1.00 20.44 N HETATM 54 CA AIB A 5 1.615 5.492 -2.808 1.00 63.32 C HETATM 55 C AIB A 5 0.750 6.680 -3.215 1.00 33.50 C HETATM 56 O AIB A 5 1.261 7.754 -3.529 1.00 71.13 O HETATM 57 CB1 AIB A 5 1.928 4.645 -4.038 1.00 15.51 C HETATM 58 CB2 AIB A 5 2.917 5.998 -2.195 1.00 70.54 C HETATM 59 H AIB A 5 0.754 3.730 -2.012 1.00 1.12 H HETATM 60 HB11 AIB A 5 2.237 3.659 -3.727 1.00 25.23 H HETATM 61 HB12 AIB A 5 2.722 5.111 -4.603 1.00 33.21 H HETATM 62 HB13 AIB A 5 1.045 4.568 -4.655 1.00 34.40 H HETATM 63 HB21 AIB A 5 3.562 6.370 -2.977 1.00 41.42 H HETATM 64 HB22 AIB A 5 3.410 5.188 -1.678 1.00 33.23 H HETATM 65 HB23 AIB A 5 2.701 6.793 -1.497 1.00 60.41 H HETATM 66 N DIV A 6 -0.564 6.478 -3.206 1.00 40.35 N HETATM 67 CA DIV A 6 -1.501 7.533 -3.575 1.00 21.04 C HETATM 68 CB1 DIV A 6 -1.360 7.842 -5.061 1.00 44.23 C HETATM 69 CG1 DIV A 6 -1.361 6.612 -5.942 1.00 43.01 C HETATM 70 CB2 DIV A 6 -2.925 7.072 -3.284 1.00 72.34 C HETATM 71 C DIV A 6 -1.198 8.788 -2.763 1.00 43.12 C HETATM 72 O DIV A 6 -1.380 9.907 -3.241 1.00 0.24 O HETATM 73 H DIV A 6 -0.911 5.600 -2.947 1.00 32.25 H HETATM 74 HB11 DIV A 6 -0.436 8.376 -5.228 1.00 65.43 H HETATM 75 HB12 DIV A 6 -2.174 8.480 -5.372 1.00 31.22 H HETATM 76 HG11 DIV A 6 -0.360 6.209 -5.999 1.00 51.44 H HETATM 77 HG12 DIV A 6 -1.699 6.879 -6.933 1.00 24.24 H HETATM 78 HG13 DIV A 6 -2.024 5.870 -5.523 1.00 61.21 H HETATM 79 HB21 DIV A 6 -3.086 7.050 -2.217 1.00 31.14 H HETATM 80 HB22 DIV A 6 -3.073 6.082 -3.691 1.00 50.10 H HETATM 81 HB23 DIV A 6 -3.625 7.756 -3.740 1.00 53.40 H ATOM 82 N GLY A 7 -0.733 8.594 -1.532 1.00 75.45 N ATOM 83 CA GLY A 7 -0.413 9.719 -0.674 1.00 65.03 C ATOM 84 C GLY A 7 0.530 10.703 -1.337 1.00 42.54 C ATOM 85 O GLY A 7 0.436 11.911 -1.115 1.00 13.31 O ATOM 86 H GLY A 7 -0.608 7.678 -1.205 1.00 10.43 H ATOM 87 HA2 GLY A 7 -1.327 10.231 -0.414 1.00 3.32 H ATOM 88 HA3 GLY A 7 0.050 9.348 0.229 1.00 62.15 H ATOM 89 N LEU A 8 1.443 10.188 -2.153 1.00 3.10 N ATOM 90 CA LEU A 8 2.409 11.030 -2.850 1.00 2.30 C ATOM 91 C LEU A 8 1.752 11.764 -4.014 1.00 54.13 C ATOM 92 O LEU A 8 2.206 12.832 -4.424 1.00 61.31 O ATOM 93 CB LEU A 8 3.578 10.185 -3.360 1.00 1.34 C ATOM 94 CG LEU A 8 4.316 9.356 -2.308 1.00 13.13 C ATOM 95 CD1 LEU A 8 5.684 8.937 -2.822 1.00 21.22 C ATOM 96 CD2 LEU A 8 4.448 10.138 -1.009 1.00 43.00 C ATOM 97 H LEU A 8 1.469 9.219 -2.291 1.00 24.55 H ATOM 98 HA LEU A 8 2.782 11.759 -2.146 1.00 24.23 H ATOM 99 HB2 LEU A 8 3.195 9.507 -4.106 1.00 73.20 H ATOM 100 HB3 LEU A 8 4.294 10.854 -3.817 1.00 33.11 H ATOM 101 HG LEU A 8 3.748 8.459 -2.103 1.00 13.05 H ATOM 102 HD11 LEU A 8 6.192 9.795 -3.234 1.00 3.41 H ATOM 103 HD12 LEU A 8 5.566 8.186 -3.589 1.00 31.11 H ATOM 104 HD13 LEU A 8 6.265 8.530 -2.007 1.00 45.22 H ATOM 105 HD21 LEU A 8 3.545 10.026 -0.428 1.00 72.20 H ATOM 106 HD22 LEU A 8 4.605 11.183 -1.233 1.00 13.52 H ATOM 107 HD23 LEU A 8 5.288 9.760 -0.446 1.00 4.14 H HETATM 108 N AIB A 9 0.678 11.185 -4.541 1.00 70.24 N HETATM 109 CA AIB A 9 -0.044 11.785 -5.657 1.00 63.21 C HETATM 110 C AIB A 9 -0.999 12.851 -5.130 1.00 62.43 C HETATM 111 O AIB A 9 -1.490 13.687 -5.888 1.00 4.23 O HETATM 112 CB1 AIB A 9 -0.838 10.707 -6.388 1.00 23.15 C HETATM 113 CB2 AIB A 9 0.951 12.425 -6.620 1.00 75.55 C HETATM 114 H AIB A 9 0.364 10.334 -4.171 1.00 72.22 H HETATM 115 HB11 AIB A 9 -1.215 11.106 -7.318 1.00 31.35 H HETATM 116 HB12 AIB A 9 -1.665 10.389 -5.770 1.00 63.53 H HETATM 117 HB13 AIB A 9 -0.195 9.863 -6.592 1.00 34.00 H HETATM 118 HB21 AIB A 9 0.549 12.398 -7.623 1.00 31.23 H HETATM 119 HB22 AIB A 9 1.882 11.879 -6.591 1.00 61.23 H HETATM 120 HB23 AIB A 9 1.125 13.450 -6.330 1.00 33.14 H HETATM 121 N AIB A 10 -1.258 12.814 -3.827 1.00 70.24 N HETATM 122 CA AIB A 10 -2.155 13.777 -3.199 1.00 64.32 C HETATM 123 C AIB A 10 -1.630 15.189 -3.436 1.00 0.04 C HETATM 124 O AIB A 10 -2.332 16.060 -3.949 1.00 41.42 O HETATM 125 CB1 AIB A 10 -2.224 13.504 -1.700 1.00 44.33 C HETATM 126 CB2 AIB A 10 -3.548 13.644 -3.805 1.00 20.03 C HETATM 127 H AIB A 10 -0.836 12.123 -3.276 1.00 33.35 H HETATM 128 HB11 AIB A 10 -3.257 13.442 -1.393 1.00 31.21 H HETATM 129 HB12 AIB A 10 -1.737 14.307 -1.166 1.00 21.32 H HETATM 130 HB13 AIB A 10 -1.726 12.571 -1.481 1.00 3.44 H HETATM 131 HB21 AIB A 10 -3.883 12.621 -3.716 1.00 12.11 H HETATM 132 HB22 AIB A 10 -3.515 13.923 -4.848 1.00 34.23 H HETATM 133 HB23 AIB A 10 -4.232 14.294 -3.280 1.00 11.05 H HETATM 134 N HYP A 11 -0.366 15.423 -3.053 1.00 20.13 N HETATM 135 CA HYP A 11 0.281 16.728 -3.214 1.00 2.43 C HETATM 136 C HYP A 11 0.230 17.227 -4.654 1.00 11.23 C HETATM 137 O HYP A 11 0.421 18.414 -4.915 1.00 41.44 O HETATM 138 CB HYP A 11 1.728 16.461 -2.791 1.00 41.55 C HETATM 139 CG HYP A 11 1.653 15.249 -1.929 1.00 5.11 C HETATM 140 CD HYP A 11 0.529 14.431 -2.434 1.00 20.13 C HETATM 141 OD1 HYP A 11 1.963 15.567 -0.566 1.00 65.23 O HETATM 142 HA HYP A 11 -0.155 17.471 -2.561 1.00 60.51 H HETATM 143 HB2 HYP A 11 2.335 16.287 -3.669 1.00 22.44 H HETATM 144 HB3 HYP A 11 2.110 17.311 -2.246 1.00 3.02 H HETATM 145 HG HYP A 11 2.340 14.504 -2.302 1.00 73.45 H HETATM 146 HD22 HYP A 11 0.743 13.624 -3.119 1.00 35.34 H HETATM 147 HD23 HYP A 11 0.104 14.048 -1.517 1.00 42.33 H HETATM 148 HD1 HYP A 11 1.192 15.949 -0.143 1.00 14.41 H ATOM 149 N GLN A 12 -0.030 16.313 -5.583 1.00 24.01 N ATOM 150 CA GLN A 12 -0.106 16.662 -6.997 1.00 24.43 C ATOM 151 C GLN A 12 -1.520 17.087 -7.377 1.00 60.43 C ATOM 152 O GLN A 12 -1.733 17.705 -8.420 1.00 33.13 O ATOM 153 CB GLN A 12 0.334 15.478 -7.860 1.00 34.30 C ATOM 154 CG GLN A 12 1.842 15.309 -7.939 1.00 43.23 C ATOM 155 CD GLN A 12 2.493 16.311 -8.873 1.00 21.13 C ATOM 156 OE1 GLN A 12 2.480 16.140 -10.092 1.00 63.11 O ATOM 157 NE2 GLN A 12 3.067 17.365 -8.304 1.00 20.42 N ATOM 158 H GLN A 12 -0.173 15.383 -5.312 1.00 22.14 H ATOM 159 HA GLN A 12 0.565 17.490 -7.170 1.00 74.11 H ATOM 160 HB2 GLN A 12 -0.087 14.572 -7.449 1.00 53.22 H ATOM 161 HB3 GLN A 12 -0.044 15.619 -8.862 1.00 20.50 H ATOM 162 HG2 GLN A 12 2.259 15.438 -6.951 1.00 52.43 H ATOM 163 HG3 GLN A 12 2.062 14.313 -8.294 1.00 30.02 H ATOM 164 HE21 GLN A 12 3.040 17.434 -7.326 1.00 55.30 H ATOM 165 HE22 GLN A 12 3.496 18.027 -8.883 1.00 52.21 H HETATM 166 N DIV A 13 -2.483 16.750 -6.525 1.00 50.44 N HETATM 167 CA DIV A 13 -3.877 17.097 -6.773 1.00 33.00 C HETATM 168 CB1 DIV A 13 -4.323 16.493 -8.101 1.00 12.25 C HETATM 169 CG1 DIV A 13 -3.606 15.209 -8.457 1.00 54.51 C HETATM 170 CB2 DIV A 13 -4.746 16.546 -5.647 1.00 3.12 C HETATM 171 C DIV A 13 -4.022 18.614 -6.831 1.00 5.15 C HETATM 172 O DIV A 13 -4.590 19.173 -7.769 1.00 45.00 O HETATM 173 H DIV A 13 -2.250 16.258 -5.711 1.00 72.32 H HETATM 174 HB11 DIV A 13 -4.151 17.207 -8.893 1.00 22.24 H HETATM 175 HB12 DIV A 13 -5.383 16.288 -8.061 1.00 23.21 H HETATM 176 HG11 DIV A 13 -3.468 14.615 -7.566 1.00 61.11 H HETATM 177 HG12 DIV A 13 -2.644 15.442 -8.888 1.00 4.44 H HETATM 178 HG13 DIV A 13 -4.196 14.655 -9.172 1.00 63.31 H HETATM 179 HB21 DIV A 13 -4.988 17.341 -4.957 1.00 42.21 H HETATM 180 HB22 DIV A 13 -4.208 15.768 -5.125 1.00 41.31 H HETATM 181 HB23 DIV A 13 -5.656 16.139 -6.061 1.00 33.23 H HETATM 182 N HYP A 14 -3.496 19.298 -5.804 1.00 4.23 N HETATM 183 CA HYP A 14 -3.553 20.760 -5.715 1.00 3.34 C HETATM 184 C HYP A 14 -2.447 21.434 -6.520 1.00 72.23 C HETATM 185 O HYP A 14 -2.398 22.659 -6.620 1.00 44.42 O HETATM 186 CB HYP A 14 -3.366 21.032 -4.220 1.00 14.13 C HETATM 187 CG HYP A 14 -2.652 19.831 -3.702 1.00 55.25 C HETATM 188 CD HYP A 14 -2.804 18.697 -4.651 1.00 12.22 C HETATM 189 OD1 HYP A 14 -3.241 19.369 -2.480 1.00 41.13 O HETATM 190 HA HYP A 14 -4.512 21.140 -6.034 1.00 51.14 H HETATM 191 HB2 HYP A 14 -2.780 21.930 -4.085 1.00 1.10 H HETATM 192 HB3 HYP A 14 -4.331 21.151 -3.749 1.00 4.21 H HETATM 193 HG HYP A 14 -1.612 20.076 -3.546 1.00 33.44 H HETATM 194 HD22 HYP A 14 -1.852 18.281 -4.946 1.00 12.40 H HETATM 195 HD23 HYP A 14 -3.419 17.942 -4.184 1.00 54.10 H HETATM 196 HD1 HYP A 14 -3.569 20.119 -1.979 1.00 2.12 H HETATM 197 N AIB A 15 -1.562 20.625 -7.094 1.00 34.23 N HETATM 198 CA AIB A 15 -0.458 21.143 -7.891 1.00 45.33 C HETATM 199 C AIB A 15 -1.006 22.032 -9.003 1.00 31.23 C HETATM 200 O AIB A 15 -0.650 23.204 -9.126 1.00 73.04 O HETATM 201 CB1 AIB A 15 0.316 19.981 -8.505 1.00 31.22 C HETATM 202 CB2 AIB A 15 0.473 21.959 -7.001 1.00 2.44 C HETATM 203 H AIB A 15 -1.655 19.656 -6.978 1.00 2.34 H HETATM 204 HB11 AIB A 15 -0.044 19.050 -8.091 1.00 55.53 H HETATM 205 HB12 AIB A 15 1.367 20.091 -8.282 1.00 60.43 H HETATM 206 HB13 AIB A 15 0.173 19.978 -9.575 1.00 51.43 H HETATM 207 HB21 AIB A 15 1.126 22.560 -7.617 1.00 14.53 H HETATM 208 HB22 AIB A 15 1.066 21.292 -6.392 1.00 41.34 H HETATM 209 HB23 AIB A 15 -0.113 22.603 -6.362 1.00 0.52 H ATOM 210 N PRO A 16 -1.894 21.463 -9.832 1.00 23.11 N ATOM 211 CA PRO A 16 -2.511 22.186 -10.948 1.00 21.03 C ATOM 212 C PRO A 16 -3.570 23.178 -10.480 1.00 54.14 C ATOM 213 O PRO A 16 -4.056 23.996 -11.261 1.00 55.44 O ATOM 214 CB PRO A 16 -3.151 21.073 -11.781 1.00 32.21 C ATOM 215 CG PRO A 16 -3.407 19.973 -10.810 1.00 35.52 C ATOM 216 CD PRO A 16 -2.364 20.070 -9.744 1.00 4.24 C ATOM 217 HA PRO A 16 -1.772 22.703 -11.542 1.00 52.42 H ATOM 218 HB2 PRO A 16 -4.070 21.433 -12.222 1.00 43.25 H ATOM 219 HB3 PRO A 16 -2.469 20.762 -12.558 1.00 52.30 H ATOM 220 HG2 PRO A 16 -4.387 20.090 -10.372 1.00 71.32 H ATOM 221 HG3 PRO A 16 -3.329 19.018 -11.309 1.00 35.35 H ATOM 222 HD2 PRO A 16 -2.810 19.874 -8.780 1.00 11.10 H ATOM 223 HD3 PRO A 16 -1.556 19.379 -9.935 1.00 73.21 H HETATM 224 N PHL A 17 -3.924 23.100 -9.202 1.00 12.42 N HETATM 225 CA PHL A 17 -4.927 23.992 -8.631 1.00 20.25 C HETATM 226 C PHL A 17 -4.429 24.605 -7.325 1.00 33.43 C HETATM 227 O PHL A 17 -4.721 23.751 -6.211 1.00 52.22 O HETATM 228 CB PHL A 17 -6.234 23.234 -8.386 1.00 25.00 C HETATM 229 CG PHL A 17 -7.102 23.127 -9.607 1.00 21.22 C HETATM 230 CD1 PHL A 17 -6.835 22.179 -10.582 1.00 13.31 C HETATM 231 CD2 PHL A 17 -8.185 23.974 -9.779 1.00 44.15 C HETATM 232 CE1 PHL A 17 -7.633 22.078 -11.706 1.00 63.24 C HETATM 233 CE2 PHL A 17 -8.986 23.877 -10.902 1.00 4.04 C HETATM 234 CZ PHL A 17 -8.709 22.929 -11.867 1.00 24.42 C HETATM 235 H PHL A 17 -3.501 22.427 -8.629 1.00 21.22 H HETATM 236 HA PHL A 17 -5.108 24.784 -9.340 1.00 42.13 H HETATM 237 HC1 PHL A 17 -3.360 24.747 -7.383 1.00 12.10 H HETATM 238 HC2 PHL A 17 -4.915 25.557 -7.170 1.00 74.42 H HETATM 239 HO PHL A 17 -4.979 24.286 -5.457 1.00 20.23 H HETATM 240 HB2 PHL A 17 -6.004 22.233 -8.054 1.00 21.30 H HETATM 241 HB3 PHL A 17 -6.798 23.743 -7.619 1.00 60.41 H HETATM 242 HD1 PHL A 17 -5.993 21.513 -10.457 1.00 51.03 H HETATM 243 HD2 PHL A 17 -8.402 24.717 -9.026 1.00 41.12 H HETATM 244 HE1 PHL A 17 -7.413 21.335 -12.459 1.00 10.01 H HETATM 245 HE2 PHL A 17 -9.826 24.544 -11.025 1.00 31.42 H HETATM 246 HZ PHL A 17 -9.333 22.851 -12.744 1.00 72.41 H TER 247 PHL A 17