HETATM 1 C ACE A 1 1.669 0.920 -2.139 1.00 51.13 C HETATM 2 O ACE A 1 1.914 2.126 -2.112 1.00 52.42 O HETATM 3 CH3 ACE A 1 2.262 -0.013 -1.102 1.00 42.24 C HETATM 4 H1 ACE A 1 2.799 -0.808 -1.597 1.00 45.23 H HETATM 5 H2 ACE A 1 1.470 -0.433 -0.500 1.00 63.53 H HETATM 6 H3 ACE A 1 2.941 0.539 -0.468 1.00 2.12 H ATOM 7 N PHE A 2 0.887 0.361 -3.058 1.00 5.44 N ATOM 8 CA PHE A 2 0.260 1.151 -4.110 1.00 55.33 C ATOM 9 C PHE A 2 -0.731 2.152 -3.522 1.00 2.00 C ATOM 10 O PHE A 2 -0.635 3.354 -3.768 1.00 1.03 O ATOM 11 CB PHE A 2 -0.454 0.236 -5.107 1.00 74.10 C ATOM 12 CG PHE A 2 -0.775 0.906 -6.413 1.00 22.43 C ATOM 13 CD1 PHE A 2 -1.959 1.606 -6.575 1.00 12.32 C ATOM 14 CD2 PHE A 2 0.108 0.835 -7.478 1.00 25.12 C ATOM 15 CE1 PHE A 2 -2.257 2.223 -7.775 1.00 64.45 C ATOM 16 CE2 PHE A 2 -0.183 1.450 -8.681 1.00 34.31 C ATOM 17 CZ PHE A 2 -1.367 2.145 -8.829 1.00 52.44 C ATOM 18 H PHE A 2 0.730 -0.606 -3.027 1.00 11.23 H ATOM 19 HA PHE A 2 1.037 1.693 -4.626 1.00 4.25 H ATOM 20 HB2 PHE A 2 0.175 -0.616 -5.317 1.00 52.23 H ATOM 21 HB3 PHE A 2 -1.381 -0.105 -4.671 1.00 73.12 H ATOM 22 HD1 PHE A 2 -2.655 1.669 -5.751 1.00 73.43 H ATOM 23 HD2 PHE A 2 1.036 0.291 -7.362 1.00 74.14 H ATOM 24 HE1 PHE A 2 -3.183 2.766 -7.889 1.00 42.20 H ATOM 25 HE2 PHE A 2 0.514 1.387 -9.503 1.00 5.23 H ATOM 26 HZ PHE A 2 -1.598 2.626 -9.769 1.00 25.25 H HETATM 27 N AIB A 3 -1.682 1.646 -2.744 1.00 54.22 N HETATM 28 CA AIB A 3 -2.691 2.495 -2.121 1.00 71.41 C HETATM 29 C AIB A 3 -2.005 3.616 -1.348 1.00 51.02 C HETATM 30 O AIB A 3 -2.354 4.787 -1.494 1.00 42.20 O HETATM 31 CB1 AIB A 3 -3.536 1.660 -1.164 1.00 51.50 C HETATM 32 CB2 AIB A 3 -3.587 3.095 -3.199 1.00 72.44 C HETATM 33 H AIB A 3 -1.707 0.680 -2.586 1.00 24.32 H HETATM 34 HB11 AIB A 3 -4.330 1.176 -1.713 1.00 50.33 H HETATM 35 HB12 AIB A 3 -3.962 2.302 -0.407 1.00 4.32 H HETATM 36 HB13 AIB A 3 -2.915 0.912 -0.694 1.00 50.22 H HETATM 37 HB21 AIB A 3 -4.467 3.520 -2.740 1.00 52.43 H HETATM 38 HB22 AIB A 3 -3.882 2.322 -3.894 1.00 23.30 H HETATM 39 HB23 AIB A 3 -3.047 3.867 -3.728 1.00 34.44 H HETATM 40 N AIB A 4 -1.028 3.249 -0.526 1.00 2.13 N HETATM 41 CA AIB A 4 -0.293 4.224 0.270 1.00 3.55 C HETATM 42 C AIB A 4 0.431 5.196 -0.656 1.00 74.24 C HETATM 43 O AIB A 4 0.522 6.389 -0.372 1.00 11.55 O HETATM 44 CB1 AIB A 4 0.726 3.502 1.145 1.00 5.23 C HETATM 45 CB2 AIB A 4 -1.266 4.996 1.155 1.00 33.34 C HETATM 46 H AIB A 4 -0.796 2.300 -0.453 1.00 3.14 H HETATM 47 HB11 AIB A 4 0.310 2.565 1.484 1.00 64.34 H HETATM 48 HB12 AIB A 4 0.968 4.118 1.999 1.00 25.31 H HETATM 49 HB13 AIB A 4 1.622 3.313 0.573 1.00 64.44 H HETATM 50 HB21 AIB A 4 -0.716 5.530 1.916 1.00 41.35 H HETATM 51 HB22 AIB A 4 -1.951 4.305 1.625 1.00 24.32 H HETATM 52 HB23 AIB A 4 -1.822 5.698 0.552 1.00 1.41 H HETATM 53 N AIB A 5 0.943 4.676 -1.767 1.00 21.42 N HETATM 54 CA AIB A 5 1.658 5.497 -2.736 1.00 4.12 C HETATM 55 C AIB A 5 0.770 6.657 -3.173 1.00 42.11 C HETATM 56 O AIB A 5 1.259 7.743 -3.483 1.00 53.20 O HETATM 57 CB1 AIB A 5 2.022 4.650 -3.950 1.00 64.44 C HETATM 58 CB2 AIB A 5 2.931 6.044 -2.098 1.00 21.23 C HETATM 59 H AIB A 5 0.838 3.717 -1.938 1.00 74.24 H HETATM 60 HB11 AIB A 5 1.645 3.647 -3.816 1.00 21.43 H HETATM 61 HB12 AIB A 5 3.096 4.619 -4.059 1.00 65.20 H HETATM 62 HB13 AIB A 5 1.583 5.083 -4.837 1.00 2.43 H HETATM 63 HB21 AIB A 5 3.565 6.467 -2.863 1.00 73.22 H HETATM 64 HB22 AIB A 5 3.456 5.243 -1.598 1.00 11.01 H HETATM 65 HB23 AIB A 5 2.674 6.809 -1.380 1.00 31.31 H HETATM 66 N DIV A 6 -0.537 6.419 -3.195 1.00 71.14 N HETATM 67 CA DIV A 6 -1.494 7.444 -3.595 1.00 2.03 C HETATM 68 CB1 DIV A 6 -1.325 7.746 -5.080 1.00 61.00 C HETATM 69 CG1 DIV A 6 -1.269 6.510 -5.950 1.00 75.34 C HETATM 70 CB2 DIV A 6 -2.911 6.945 -3.335 1.00 54.13 C HETATM 71 C DIV A 6 -1.246 8.713 -2.787 1.00 3.35 C HETATM 72 O DIV A 6 -1.447 9.823 -3.277 1.00 51.24 O HETATM 73 H DIV A 6 -0.866 5.533 -2.937 1.00 61.23 H HETATM 74 HB11 DIV A 6 -0.412 8.304 -5.229 1.00 15.31 H HETATM 75 HB12 DIV A 6 -2.149 8.358 -5.415 1.00 73.35 H HETATM 76 HG11 DIV A 6 -2.075 5.842 -5.680 1.00 4.51 H HETATM 77 HG12 DIV A 6 -0.323 6.009 -5.805 1.00 54.54 H HETATM 78 HG13 DIV A 6 -1.371 6.794 -6.987 1.00 40.52 H HETATM 79 HB21 DIV A 6 -3.032 5.963 -3.769 1.00 15.32 H HETATM 80 HB22 DIV A 6 -3.620 7.626 -3.783 1.00 12.23 H HETATM 81 HB23 DIV A 6 -3.085 6.893 -2.271 1.00 34.43 H ATOM 82 N GLY A 7 -0.807 8.541 -1.543 1.00 43.12 N ATOM 83 CA GLY A 7 -0.538 9.681 -0.687 1.00 14.43 C ATOM 84 C GLY A 7 0.393 10.687 -1.335 1.00 32.24 C ATOM 85 O GLY A 7 0.259 11.893 -1.125 1.00 3.24 O ATOM 86 H GLY A 7 -0.664 7.632 -1.205 1.00 10.21 H ATOM 87 HA2 GLY A 7 -1.473 10.170 -0.453 1.00 25.11 H ATOM 88 HA3 GLY A 7 -0.088 9.330 0.230 1.00 11.22 H ATOM 89 N LEU A 8 1.340 10.191 -2.123 1.00 71.20 N ATOM 90 CA LEU A 8 2.299 11.054 -2.803 1.00 41.40 C ATOM 91 C LEU A 8 1.651 11.761 -3.989 1.00 75.32 C ATOM 92 O LEU A 8 2.085 12.837 -4.397 1.00 4.43 O ATOM 93 CB LEU A 8 3.503 10.239 -3.277 1.00 22.52 C ATOM 94 CG LEU A 8 4.238 9.439 -2.200 1.00 72.02 C ATOM 95 CD1 LEU A 8 5.629 9.054 -2.677 1.00 45.15 C ATOM 96 CD2 LEU A 8 4.317 10.235 -0.906 1.00 1.03 C ATOM 97 H LEU A 8 1.396 9.221 -2.252 1.00 4.42 H ATOM 98 HA LEU A 8 2.634 11.798 -2.096 1.00 4.42 H ATOM 99 HB2 LEU A 8 3.157 9.543 -4.026 1.00 42.42 H ATOM 100 HB3 LEU A 8 4.211 10.923 -3.723 1.00 12.24 H ATOM 101 HG LEU A 8 3.690 8.528 -2.001 1.00 2.13 H ATOM 102 HD11 LEU A 8 6.126 9.925 -3.078 1.00 24.24 H ATOM 103 HD12 LEU A 8 5.550 8.299 -3.446 1.00 45.51 H ATOM 104 HD13 LEU A 8 6.199 8.663 -1.847 1.00 43.21 H ATOM 105 HD21 LEU A 8 5.140 9.870 -0.309 1.00 44.33 H ATOM 106 HD22 LEU A 8 3.395 10.119 -0.355 1.00 12.11 H ATOM 107 HD23 LEU A 8 4.472 11.279 -1.134 1.00 62.10 H HETATM 108 N AIB A 9 0.606 11.148 -4.538 1.00 25.15 N HETATM 109 CA AIB A 9 -0.104 11.719 -5.675 1.00 43.14 C HETATM 110 C AIB A 9 -1.101 12.762 -5.181 1.00 64.01 C HETATM 111 O AIB A 9 -1.595 13.579 -5.957 1.00 41.20 O HETATM 112 CB1 AIB A 9 -0.849 10.614 -6.416 1.00 54.11 C HETATM 113 CB2 AIB A 9 0.896 12.379 -6.619 1.00 70.25 C HETATM 114 H AIB A 9 0.307 10.291 -4.168 1.00 12.40 H HETATM 115 HB11 AIB A 9 -0.177 9.790 -6.605 1.00 11.20 H HETATM 116 HB12 AIB A 9 -1.222 10.997 -7.355 1.00 4.54 H HETATM 117 HB13 AIB A 9 -1.678 10.272 -5.813 1.00 64.01 H HETATM 118 HB21 AIB A 9 1.841 11.859 -6.563 1.00 42.41 H HETATM 119 HB22 AIB A 9 1.035 13.411 -6.333 1.00 33.10 H HETATM 120 HB23 AIB A 9 0.520 12.333 -7.631 1.00 11.41 H HETATM 121 N AIB A 10 -1.391 12.728 -3.885 1.00 33.53 N HETATM 122 CA AIB A 10 -2.329 13.670 -3.287 1.00 33.23 C HETATM 123 C AIB A 10 -1.838 15.094 -3.522 1.00 54.41 C HETATM 124 O AIB A 10 -2.551 15.942 -4.060 1.00 33.12 O HETATM 125 CB1 AIB A 10 -2.428 13.407 -1.788 1.00 3.13 C HETATM 126 CB2 AIB A 10 -3.703 13.494 -3.925 1.00 32.31 C HETATM 127 H AIB A 10 -0.965 12.052 -3.317 1.00 42.41 H HETATM 128 HB11 AIB A 10 -3.466 13.319 -1.505 1.00 73.31 H HETATM 129 HB12 AIB A 10 -1.976 14.227 -1.248 1.00 73.32 H HETATM 130 HB13 AIB A 10 -1.910 12.490 -1.548 1.00 50.02 H HETATM 131 HB21 AIB A 10 -4.013 12.463 -3.834 1.00 62.03 H HETATM 132 HB22 AIB A 10 -3.652 13.764 -4.969 1.00 73.24 H HETATM 133 HB23 AIB A 10 -4.417 14.130 -3.423 1.00 74.41 H HETATM 134 N HYP A 11 -0.591 15.366 -3.111 1.00 10.34 N HETATM 135 CA HYP A 11 0.024 16.688 -3.267 1.00 15.03 C HETATM 136 C HYP A 11 -0.006 17.174 -4.712 1.00 22.03 C HETATM 137 O HYP A 11 0.160 18.364 -4.979 1.00 31.23 O HETATM 138 CB HYP A 11 1.466 16.465 -2.807 1.00 24.22 C HETATM 139 CG HYP A 11 1.404 15.258 -1.936 1.00 60.52 C HETATM 140 CD HYP A 11 0.316 14.404 -2.462 1.00 14.32 C HETATM 141 OD1 HYP A 11 1.619 15.602 -0.562 1.00 22.01 O HETATM 142 HA HYP A 11 -0.449 17.423 -2.631 1.00 70.23 H HETATM 143 HB2 HYP A 11 2.100 16.300 -3.667 1.00 53.32 H HETATM 144 HB3 HYP A 11 1.811 17.329 -2.259 1.00 22.10 H HETATM 145 HG HYP A 11 2.147 14.545 -2.262 1.00 23.10 H HETATM 146 HD22 HYP A 11 0.568 13.598 -3.135 1.00 3.34 H HETATM 147 HD23 HYP A 11 -0.121 14.017 -1.553 1.00 21.20 H HETATM 148 HD1 HYP A 11 1.324 16.502 -0.407 1.00 44.43 H ATOM 149 N GLN A 12 -0.218 16.246 -5.639 1.00 71.11 N ATOM 150 CA GLN A 12 -0.269 16.581 -7.057 1.00 43.32 C ATOM 151 C GLN A 12 -1.685 16.962 -7.476 1.00 61.13 C ATOM 152 O GLN A 12 -1.890 17.564 -8.530 1.00 10.34 O ATOM 153 CB GLN A 12 0.226 15.404 -7.899 1.00 41.03 C ATOM 154 CG GLN A 12 1.740 15.278 -7.939 1.00 5.14 C ATOM 155 CD GLN A 12 2.415 16.514 -8.500 1.00 55.41 C ATOM 156 OE1 GLN A 12 2.572 16.653 -9.714 1.00 13.05 O ATOM 157 NE2 GLN A 12 2.817 17.422 -7.618 1.00 61.20 N ATOM 158 H GLN A 12 -0.343 15.314 -5.363 1.00 41.45 H ATOM 159 HA GLN A 12 0.381 17.427 -7.221 1.00 3.30 H ATOM 160 HB2 GLN A 12 -0.179 14.490 -7.492 1.00 75.12 H ATOM 161 HB3 GLN A 12 -0.129 15.527 -8.912 1.00 34.42 H ATOM 162 HG2 GLN A 12 2.102 15.115 -6.934 1.00 53.30 H ATOM 163 HG3 GLN A 12 2.002 14.431 -8.556 1.00 3.23 H ATOM 164 HE21 GLN A 12 2.660 17.244 -6.667 1.00 34.53 H ATOM 165 HE22 GLN A 12 3.256 18.230 -7.953 1.00 44.01 H HETATM 166 N DIV A 13 -2.659 16.606 -6.645 1.00 24.21 N HETATM 167 CA DIV A 13 -4.056 16.910 -6.930 1.00 23.23 C HETATM 168 CB1 DIV A 13 -4.452 16.279 -8.261 1.00 11.34 C HETATM 169 CG1 DIV A 13 -3.691 15.013 -8.585 1.00 61.32 C HETATM 170 CB2 DIV A 13 -4.935 16.347 -5.818 1.00 73.44 C HETATM 171 C DIV A 13 -4.241 18.421 -7.008 1.00 52.51 C HETATM 172 O DIV A 13 -4.805 18.954 -7.965 1.00 24.42 O HETATM 173 H DIV A 13 -2.432 16.127 -5.821 1.00 1.35 H HETATM 174 HB11 DIV A 13 -4.281 16.989 -9.056 1.00 65.05 H HETATM 175 HB12 DIV A 13 -5.506 16.044 -8.244 1.00 40.40 H HETATM 176 HG11 DIV A 13 -4.246 14.435 -9.310 1.00 4.01 H HETATM 177 HG12 DIV A 13 -3.560 14.431 -7.685 1.00 32.41 H HETATM 178 HG13 DIV A 13 -2.724 15.268 -8.992 1.00 41.13 H HETATM 179 HB21 DIV A 13 -5.212 17.141 -5.141 1.00 73.11 H HETATM 180 HB22 DIV A 13 -4.390 15.587 -5.278 1.00 73.53 H HETATM 181 HB23 DIV A 13 -5.826 15.913 -6.249 1.00 11.41 H HETATM 182 N HYP A 14 -3.757 19.132 -5.979 1.00 23.45 N HETATM 183 CA HYP A 14 -3.857 20.592 -5.908 1.00 2.43 C HETATM 184 C HYP A 14 -2.745 21.288 -6.686 1.00 55.04 C HETATM 185 O HYP A 14 -2.724 22.514 -6.795 1.00 31.43 O HETATM 186 CB HYP A 14 -3.725 20.885 -4.411 1.00 61.10 C HETATM 187 CG HYP A 14 -2.999 19.708 -3.858 1.00 22.34 C HETATM 188 CD HYP A 14 -3.073 18.563 -4.804 1.00 54.35 C HETATM 189 OD1 HYP A 14 -3.618 19.240 -2.653 1.00 13.31 O HETATM 190 HA HYP A 14 -4.816 20.942 -6.261 1.00 63.04 H HETATM 191 HB2 HYP A 14 -3.165 21.798 -4.268 1.00 50.52 H HETATM 192 HB3 HYP A 14 -4.706 20.985 -3.972 1.00 52.13 H HETATM 193 HG HYP A 14 -1.972 19.981 -3.666 1.00 24.20 H HETATM 194 HD22 HYP A 14 -2.101 18.178 -5.073 1.00 70.12 H HETATM 195 HD23 HYP A 14 -3.674 17.791 -4.346 1.00 42.21 H HETATM 196 HD1 HYP A 14 -3.166 19.615 -1.894 1.00 12.44 H HETATM 197 N AIB A 15 -1.824 20.498 -7.227 1.00 71.42 N HETATM 198 CA AIB A 15 -0.710 21.038 -7.996 1.00 42.25 C HETATM 199 C AIB A 15 -1.248 21.905 -9.130 1.00 1.21 C HETATM 200 O AIB A 15 -0.912 23.083 -9.257 1.00 31.15 O HETATM 201 CB1 AIB A 15 0.110 19.891 -8.579 1.00 12.54 C HETATM 202 CB2 AIB A 15 0.174 21.884 -7.085 1.00 61.54 C HETATM 203 H AIB A 15 -1.895 19.528 -7.106 1.00 74.00 H HETATM 204 HB11 AIB A 15 0.002 19.882 -9.653 1.00 65.53 H HETATM 205 HB12 AIB A 15 -0.243 18.955 -8.173 1.00 22.21 H HETATM 206 HB13 AIB A 15 1.150 20.026 -8.322 1.00 2.00 H HETATM 207 HB21 AIB A 15 -0.447 22.495 -6.447 1.00 60.51 H HETATM 208 HB22 AIB A 15 0.807 22.519 -7.687 1.00 3.12 H HETATM 209 HB23 AIB A 15 0.788 21.236 -6.477 1.00 71.43 H ATOM 210 N PRO A 16 -2.103 21.311 -9.975 1.00 14.01 N ATOM 211 CA PRO A 16 -2.707 22.011 -11.113 1.00 3.12 C ATOM 212 C PRO A 16 -3.238 23.388 -10.731 1.00 10.44 C ATOM 213 O PRO A 16 -3.239 24.312 -11.545 1.00 15.14 O ATOM 214 CB PRO A 16 -3.857 21.090 -11.526 1.00 52.14 C ATOM 215 CG PRO A 16 -3.445 19.737 -11.060 1.00 34.53 C ATOM 216 CD PRO A 16 -2.548 19.910 -9.884 1.00 52.23 C ATOM 217 HA PRO A 16 -2.010 22.110 -11.932 1.00 51.04 H ATOM 218 HB2 PRO A 16 -4.771 21.413 -11.047 1.00 44.30 H ATOM 219 HB3 PRO A 16 -3.978 21.118 -12.599 1.00 23.21 H ATOM 220 HG2 PRO A 16 -4.315 19.169 -10.765 1.00 52.33 H ATOM 221 HG3 PRO A 16 -2.910 19.225 -11.846 1.00 33.32 H ATOM 222 HD2 PRO A 16 -3.047 19.724 -8.945 1.00 12.02 H ATOM 223 HD3 PRO A 16 -1.716 19.233 -10.012 1.00 53.34 H HETATM 224 N PHL A 17 -3.688 23.520 -9.487 1.00 73.42 N HETATM 225 CA PHL A 17 -4.223 24.785 -8.997 1.00 61.23 C HETATM 226 C PHL A 17 -3.193 25.515 -8.139 1.00 73.55 C HETATM 227 O PHL A 17 -2.214 26.169 -8.956 1.00 22.24 O HETATM 228 CB PHL A 17 -5.499 24.544 -8.188 1.00 51.52 C HETATM 229 CG PHL A 17 -6.598 23.897 -8.981 1.00 32.52 C HETATM 230 CD1 PHL A 17 -6.678 22.517 -9.080 1.00 71.10 C HETATM 231 CD2 PHL A 17 -7.551 24.667 -9.627 1.00 52.31 C HETATM 232 CE1 PHL A 17 -7.688 21.917 -9.808 1.00 55.43 C HETATM 233 CE2 PHL A 17 -8.564 24.073 -10.356 1.00 40.53 C HETATM 234 CZ PHL A 17 -8.632 22.697 -10.448 1.00 70.01 C HETATM 235 H PHL A 17 -3.661 22.747 -8.885 1.00 20.42 H HETATM 236 HA PHL A 17 -4.460 25.397 -9.853 1.00 44.44 H HETATM 237 HC1 PHL A 17 -3.695 26.256 -7.536 1.00 4.55 H HETATM 238 HC2 PHL A 17 -2.693 24.802 -7.500 1.00 74.01 H HETATM 239 HO PHL A 17 -1.932 26.981 -8.529 1.00 12.31 H HETATM 240 HB2 PHL A 17 -5.271 23.901 -7.352 1.00 2.54 H HETATM 241 HB3 PHL A 17 -5.867 25.490 -7.820 1.00 43.42 H HETATM 242 HD1 PHL A 17 -5.940 21.906 -8.580 1.00 22.22 H HETATM 243 HD2 PHL A 17 -7.499 25.744 -9.557 1.00 62.13 H HETATM 244 HE1 PHL A 17 -7.738 20.841 -9.878 1.00 35.12 H HETATM 245 HE2 PHL A 17 -9.300 24.685 -10.856 1.00 13.21 H HETATM 246 HZ PHL A 17 -9.423 22.231 -11.017 1.00 25.31 H TER 247 PHL A 17