HETATM 1 C ACE A 1 1.696 0.913 -2.146 1.00 71.32 C HETATM 2 O ACE A 1 1.944 2.118 -2.122 1.00 53.45 O HETATM 3 CH3 ACE A 1 2.298 -0.021 -1.115 1.00 1.11 C HETATM 4 H1 ACE A 1 1.533 -0.681 -0.735 1.00 13.45 H HETATM 5 H2 ACE A 1 2.711 0.558 -0.302 1.00 65.21 H HETATM 6 H3 ACE A 1 3.082 -0.607 -1.574 1.00 1.23 H ATOM 7 N PHE A 2 0.904 0.355 -3.056 1.00 14.13 N ATOM 8 CA PHE A 2 0.266 1.146 -4.102 1.00 63.33 C ATOM 9 C PHE A 2 -0.716 2.149 -3.504 1.00 64.13 C ATOM 10 O PHE A 2 -0.620 3.351 -3.752 1.00 23.52 O ATOM 11 CB PHE A 2 -0.460 0.231 -5.091 1.00 10.31 C ATOM 12 CG PHE A 2 -0.792 0.901 -6.394 1.00 63.50 C ATOM 13 CD1 PHE A 2 -1.886 1.744 -6.496 1.00 34.11 C ATOM 14 CD2 PHE A 2 -0.009 0.687 -7.517 1.00 25.22 C ATOM 15 CE1 PHE A 2 -2.194 2.360 -7.694 1.00 51.21 C ATOM 16 CE2 PHE A 2 -0.311 1.301 -8.718 1.00 32.13 C ATOM 17 CZ PHE A 2 -1.405 2.139 -8.806 1.00 1.51 C ATOM 18 H PHE A 2 0.744 -0.612 -3.023 1.00 2.24 H ATOM 19 HA PHE A 2 1.040 1.686 -4.626 1.00 71.30 H ATOM 20 HB2 PHE A 2 0.165 -0.622 -5.307 1.00 32.34 H ATOM 21 HB3 PHE A 2 -1.383 -0.107 -4.645 1.00 54.25 H ATOM 22 HD1 PHE A 2 -2.504 1.918 -5.627 1.00 41.41 H ATOM 23 HD2 PHE A 2 0.848 0.031 -7.449 1.00 20.24 H ATOM 24 HE1 PHE A 2 -3.050 3.016 -7.760 1.00 64.34 H ATOM 25 HE2 PHE A 2 0.308 1.126 -9.585 1.00 22.11 H ATOM 26 HZ PHE A 2 -1.643 2.620 -9.743 1.00 75.41 H HETATM 27 N AIB A 3 -1.660 1.646 -2.716 1.00 60.42 N HETATM 28 CA AIB A 3 -2.660 2.497 -2.083 1.00 73.40 C HETATM 29 C AIB A 3 -1.964 3.617 -1.318 1.00 22.11 C HETATM 30 O AIB A 3 -2.311 4.789 -1.461 1.00 35.33 O HETATM 31 CB1 AIB A 3 -3.497 1.665 -1.117 1.00 31.23 C HETATM 32 CB2 AIB A 3 -3.566 3.098 -3.152 1.00 73.02 C HETATM 33 H AIB A 3 -1.685 0.679 -2.557 1.00 5.21 H HETATM 34 HB11 AIB A 3 -4.270 1.145 -1.664 1.00 45.54 H HETATM 35 HB12 AIB A 3 -3.951 2.314 -0.383 1.00 2.24 H HETATM 36 HB13 AIB A 3 -2.863 0.946 -0.619 1.00 34.24 H HETATM 37 HB21 AIB A 3 -3.910 2.317 -3.814 1.00 33.33 H HETATM 38 HB22 AIB A 3 -3.015 3.833 -3.720 1.00 1.25 H HETATM 39 HB23 AIB A 3 -4.415 3.570 -2.680 1.00 54.15 H HETATM 40 N AIB A 4 -0.979 3.248 -0.506 1.00 3.34 N HETATM 41 CA AIB A 4 -0.233 4.222 0.282 1.00 12.53 C HETATM 42 C AIB A 4 0.482 5.192 -0.653 1.00 25.33 C HETATM 43 O AIB A 4 0.579 6.385 -0.369 1.00 44.33 O HETATM 44 CB1 AIB A 4 0.794 3.498 1.147 1.00 54.43 C HETATM 45 CB2 AIB A 4 -1.196 4.996 1.177 1.00 43.30 C HETATM 46 H AIB A 4 -0.748 2.299 -0.434 1.00 62.25 H HETATM 47 HB11 AIB A 4 0.380 2.561 1.487 1.00 21.45 H HETATM 48 HB12 AIB A 4 1.044 4.113 1.999 1.00 33.42 H HETATM 49 HB13 AIB A 4 1.684 3.309 0.566 1.00 42.33 H HETATM 50 HB21 AIB A 4 -0.636 5.528 1.933 1.00 74.23 H HETATM 51 HB22 AIB A 4 -1.878 4.307 1.652 1.00 14.32 H HETATM 52 HB23 AIB A 4 -1.754 5.702 0.580 1.00 71.24 H HETATM 53 N AIB A 5 0.982 4.670 -1.768 1.00 61.11 N HETATM 54 CA AIB A 5 1.689 5.489 -2.745 1.00 41.30 C HETATM 55 C AIB A 5 0.799 6.651 -3.174 1.00 33.22 C HETATM 56 O AIB A 5 1.286 7.736 -3.490 1.00 22.43 O HETATM 57 CB1 AIB A 5 2.039 4.640 -3.963 1.00 13.32 C HETATM 58 CB2 AIB A 5 2.969 6.034 -2.120 1.00 64.25 C HETATM 59 H AIB A 5 0.873 3.711 -1.938 1.00 53.20 H HETATM 60 HB11 AIB A 5 1.660 3.638 -3.824 1.00 2.42 H HETATM 61 HB12 AIB A 5 3.112 4.607 -4.082 1.00 75.31 H HETATM 62 HB13 AIB A 5 1.592 5.075 -4.845 1.00 32.22 H HETATM 63 HB21 AIB A 5 2.724 6.826 -1.429 1.00 12.12 H HETATM 64 HB22 AIB A 5 3.613 6.420 -2.897 1.00 53.41 H HETATM 65 HB23 AIB A 5 3.478 5.240 -1.593 1.00 44.53 H HETATM 66 N DIV A 6 -0.509 6.415 -3.182 1.00 53.32 N HETATM 67 CA DIV A 6 -1.468 7.442 -3.572 1.00 41.22 C HETATM 68 CB1 DIV A 6 -1.314 7.743 -5.059 1.00 71.34 C HETATM 69 CG1 DIV A 6 -1.271 6.506 -5.930 1.00 20.35 C HETATM 70 CB2 DIV A 6 -2.884 6.946 -3.298 1.00 2.44 C HETATM 71 C DIV A 6 -1.209 8.711 -2.768 1.00 2.44 C HETATM 72 O DIV A 6 -1.413 9.821 -3.257 1.00 51.41 O HETATM 73 H DIV A 6 -0.837 5.530 -2.920 1.00 12.10 H HETATM 74 HB11 DIV A 6 -0.402 8.299 -5.218 1.00 62.43 H HETATM 75 HB12 DIV A 6 -2.140 8.356 -5.387 1.00 13.34 H HETATM 76 HG11 DIV A 6 -1.557 6.765 -6.938 1.00 72.12 H HETATM 77 HG12 DIV A 6 -1.956 5.767 -5.540 1.00 1.34 H HETATM 78 HG13 DIV A 6 -0.269 6.102 -5.932 1.00 74.00 H HETATM 79 HB21 DIV A 6 -2.947 5.893 -3.525 1.00 63.53 H HETATM 80 HB22 DIV A 6 -3.582 7.491 -3.916 1.00 70.31 H HETATM 81 HB23 DIV A 6 -3.125 7.105 -2.257 1.00 32.11 H ATOM 82 N GLY A 7 -0.757 8.539 -1.529 1.00 11.21 N ATOM 83 CA GLY A 7 -0.477 9.680 -0.676 1.00 74.40 C ATOM 84 C GLY A 7 0.449 10.683 -1.335 1.00 33.25 C ATOM 85 O GLY A 7 0.320 11.890 -1.124 1.00 33.51 O ATOM 86 H GLY A 7 -0.613 7.630 -1.191 1.00 44.35 H ATOM 87 HA2 GLY A 7 -1.408 10.170 -0.433 1.00 10.04 H ATOM 88 HA3 GLY A 7 -0.018 9.328 0.236 1.00 0.12 H ATOM 89 N LEU A 8 1.386 10.185 -2.133 1.00 24.53 N ATOM 90 CA LEU A 8 2.340 11.046 -2.824 1.00 31.24 C ATOM 91 C LEU A 8 1.680 11.753 -4.003 1.00 71.42 C ATOM 92 O LEU A 8 2.112 12.828 -4.416 1.00 4.31 O ATOM 93 CB LEU A 8 3.537 10.227 -3.310 1.00 3.33 C ATOM 94 CG LEU A 8 4.281 9.427 -2.241 1.00 24.55 C ATOM 95 CD1 LEU A 8 5.667 9.039 -2.732 1.00 63.21 C ATOM 96 CD2 LEU A 8 4.376 10.223 -0.947 1.00 73.41 C ATOM 97 H LEU A 8 1.440 9.215 -2.261 1.00 74.14 H ATOM 98 HA LEU A 8 2.684 11.790 -2.120 1.00 61.45 H ATOM 99 HB2 LEU A 8 3.182 9.533 -4.055 1.00 61.22 H ATOM 100 HB3 LEU A 8 4.242 10.910 -3.763 1.00 14.51 H ATOM 101 HG LEU A 8 3.734 8.517 -2.035 1.00 61.32 H ATOM 102 HD11 LEU A 8 6.245 8.647 -1.909 1.00 12.35 H ATOM 103 HD12 LEU A 8 6.162 9.909 -3.137 1.00 50.13 H ATOM 104 HD13 LEU A 8 5.579 8.285 -3.501 1.00 14.20 H ATOM 105 HD21 LEU A 8 3.442 10.147 -0.410 1.00 30.15 H ATOM 106 HD22 LEU A 8 4.576 11.259 -1.176 1.00 53.44 H ATOM 107 HD23 LEU A 8 5.175 9.827 -0.338 1.00 40.14 H HETATM 108 N AIB A 9 0.629 11.141 -4.540 1.00 41.21 N HETATM 109 CA AIB A 9 -0.092 11.713 -5.671 1.00 11.03 C HETATM 110 C AIB A 9 -1.082 12.758 -5.166 1.00 62.04 C HETATM 111 O AIB A 9 -1.583 13.576 -5.938 1.00 21.44 O HETATM 112 CB1 AIB A 9 -0.848 10.609 -6.403 1.00 24.23 C HETATM 113 CB2 AIB A 9 0.899 12.370 -6.626 1.00 13.42 C HETATM 114 H AIB A 9 0.332 10.285 -4.167 1.00 11.51 H HETATM 115 HB11 AIB A 9 -0.177 9.787 -6.605 1.00 21.21 H HETATM 116 HB12 AIB A 9 -1.236 10.994 -7.334 1.00 5.50 H HETATM 117 HB13 AIB A 9 -1.665 10.263 -5.788 1.00 14.44 H HETATM 118 HB21 AIB A 9 1.042 13.402 -6.341 1.00 42.45 H HETATM 119 HB22 AIB A 9 0.512 12.325 -7.633 1.00 71.12 H HETATM 120 HB23 AIB A 9 1.843 11.849 -6.579 1.00 45.30 H HETATM 121 N AIB A 10 -1.359 12.725 -3.867 1.00 63.20 N HETATM 122 CA AIB A 10 -2.289 13.669 -3.260 1.00 3.23 C HETATM 123 C AIB A 10 -1.798 15.093 -3.501 1.00 63.32 C HETATM 124 O AIB A 10 -2.515 15.941 -4.032 1.00 1.21 O HETATM 125 CB1 AIB A 10 -2.372 13.408 -1.760 1.00 25.35 C HETATM 126 CB2 AIB A 10 -3.670 13.495 -3.883 1.00 44.11 C HETATM 127 H AIB A 10 -0.927 12.049 -3.304 1.00 14.34 H HETATM 128 HB11 AIB A 10 -1.913 14.227 -1.225 1.00 72.24 H HETATM 129 HB12 AIB A 10 -1.853 12.490 -1.525 1.00 61.20 H HETATM 130 HB13 AIB A 10 -3.407 13.321 -1.466 1.00 13.01 H HETATM 131 HB21 AIB A 10 -3.980 12.465 -3.788 1.00 71.03 H HETATM 132 HB22 AIB A 10 -3.629 13.764 -4.928 1.00 53.23 H HETATM 133 HB23 AIB A 10 -4.377 14.133 -3.374 1.00 72.32 H HETATM 134 N HYP A 11 -0.546 15.363 -3.103 1.00 64.32 N HETATM 135 CA HYP A 11 0.070 16.683 -3.267 1.00 14.23 C HETATM 136 C HYP A 11 0.026 17.168 -4.712 1.00 13.33 C HETATM 137 O HYP A 11 0.191 18.358 -4.981 1.00 73.42 O HETATM 138 CB HYP A 11 1.517 16.458 -2.822 1.00 72.20 C HETATM 139 CG HYP A 11 1.462 15.251 -1.950 1.00 54.20 C HETATM 140 CD HYP A 11 0.366 14.400 -2.463 1.00 61.44 C HETATM 141 OD1 HYP A 11 1.763 15.585 -0.589 1.00 71.04 O HETATM 142 HA HYP A 11 -0.395 17.419 -2.627 1.00 1.32 H HETATM 143 HB2 HYP A 11 2.141 16.292 -3.689 1.00 73.40 H HETATM 144 HB3 HYP A 11 1.869 17.322 -2.279 1.00 31.45 H HETATM 145 HG HYP A 11 2.162 14.515 -2.316 1.00 73.13 H HETATM 146 HD22 HYP A 11 0.610 13.593 -3.138 1.00 62.43 H HETATM 147 HD23 HYP A 11 -0.061 14.014 -1.550 1.00 33.43 H HETATM 148 HD1 HYP A 11 1.072 15.246 -0.016 1.00 30.33 H ATOM 149 N GLN A 12 -0.198 16.240 -5.636 1.00 71.01 N ATOM 150 CA GLN A 12 -0.263 16.575 -7.054 1.00 32.51 C ATOM 151 C GLN A 12 -1.683 16.957 -7.458 1.00 51.41 C ATOM 152 O GLN A 12 -1.898 17.560 -8.510 1.00 34.55 O ATOM 153 CB GLN A 12 0.221 15.396 -7.900 1.00 75.14 C ATOM 154 CG GLN A 12 1.734 15.267 -7.956 1.00 2.23 C ATOM 155 CD GLN A 12 2.395 16.443 -8.649 1.00 32.43 C ATOM 156 OE1 GLN A 12 2.401 16.530 -9.877 1.00 0.51 O ATOM 157 NE2 GLN A 12 2.956 17.354 -7.863 1.00 52.51 N ATOM 158 H GLN A 12 -0.322 15.309 -5.359 1.00 23.15 H ATOM 159 HA GLN A 12 0.387 17.419 -7.225 1.00 55.31 H ATOM 160 HB2 GLN A 12 -0.182 14.483 -7.488 1.00 73.34 H ATOM 161 HB3 GLN A 12 -0.145 15.518 -8.909 1.00 55.51 H ATOM 162 HG2 GLN A 12 2.115 15.204 -6.947 1.00 14.31 H ATOM 163 HG3 GLN A 12 1.986 14.364 -8.491 1.00 62.13 H ATOM 164 HE21 GLN A 12 2.913 17.218 -6.893 1.00 3.10 H ATOM 165 HE22 GLN A 12 3.390 18.124 -8.284 1.00 65.03 H HETATM 166 N DIV A 13 -2.649 16.603 -6.616 1.00 45.52 N HETATM 167 CA DIV A 13 -4.048 16.910 -6.886 1.00 71.23 C HETATM 168 CB1 DIV A 13 -4.460 16.279 -8.212 1.00 44.15 C HETATM 169 CG1 DIV A 13 -3.704 15.011 -8.544 1.00 72.03 C HETATM 170 CB2 DIV A 13 -4.917 16.349 -5.765 1.00 63.24 C HETATM 171 C DIV A 13 -4.232 18.422 -6.964 1.00 22.33 C HETATM 172 O DIV A 13 -4.804 18.954 -7.915 1.00 14.23 O HETATM 173 H DIV A 13 -2.414 16.125 -5.794 1.00 0.11 H HETATM 174 HB11 DIV A 13 -4.295 16.988 -9.011 1.00 34.04 H HETATM 175 HB12 DIV A 13 -5.514 16.046 -8.185 1.00 2.05 H HETATM 176 HG11 DIV A 13 -4.268 14.434 -9.263 1.00 24.24 H HETATM 177 HG12 DIV A 13 -3.565 14.429 -7.645 1.00 42.21 H HETATM 178 HG13 DIV A 13 -2.741 15.264 -8.962 1.00 51.40 H HETATM 179 HB21 DIV A 13 -5.185 17.144 -5.086 1.00 13.13 H HETATM 180 HB22 DIV A 13 -4.367 15.588 -5.231 1.00 13.25 H HETATM 181 HB23 DIV A 13 -5.813 15.917 -6.186 1.00 62.11 H HETATM 182 N HYP A 14 -3.735 19.132 -5.940 1.00 31.31 N HETATM 183 CA HYP A 14 -3.832 20.593 -5.869 1.00 62.30 C HETATM 184 C HYP A 14 -2.728 21.286 -6.660 1.00 63.20 C HETATM 185 O HYP A 14 -2.706 22.511 -6.770 1.00 5.33 O HETATM 186 CB HYP A 14 -3.683 20.886 -4.374 1.00 33.10 C HETATM 187 CG HYP A 14 -2.953 19.708 -3.828 1.00 34.24 C HETATM 188 CD HYP A 14 -3.040 18.563 -4.773 1.00 33.12 C HETATM 189 OD1 HYP A 14 -3.571 19.232 -2.625 1.00 71.44 O HETATM 190 HA HYP A 14 -4.794 20.944 -6.213 1.00 21.34 H HETATM 191 HB2 HYP A 14 -3.120 21.799 -4.238 1.00 33.42 H HETATM 192 HB3 HYP A 14 -4.660 20.988 -3.925 1.00 3.32 H HETATM 193 HG HYP A 14 -1.927 19.983 -3.635 1.00 30.03 H HETATM 194 HD22 HYP A 14 -2.071 18.176 -5.052 1.00 35.34 H HETATM 195 HD23 HYP A 14 -3.637 17.792 -4.308 1.00 10.24 H HETATM 196 HD1 HYP A 14 -3.068 19.533 -1.865 1.00 40.15 H HETATM 197 N AIB A 15 -1.813 20.493 -7.210 1.00 13.51 N HETATM 198 CA AIB A 15 -0.706 21.032 -7.991 1.00 75.34 C HETATM 199 C AIB A 15 -1.255 21.899 -9.120 1.00 31.25 C HETATM 200 O AIB A 15 -0.919 23.076 -9.251 1.00 24.24 O HETATM 201 CB1 AIB A 15 0.105 19.883 -8.582 1.00 11.15 C HETATM 202 CB2 AIB A 15 0.189 21.876 -7.090 1.00 54.05 C HETATM 203 H AIB A 15 -1.885 19.524 -7.087 1.00 41.10 H HETATM 204 HB11 AIB A 15 -0.014 19.873 -9.655 1.00 31.41 H HETATM 205 HB12 AIB A 15 -0.245 18.947 -8.171 1.00 40.33 H HETATM 206 HB13 AIB A 15 1.148 20.016 -8.336 1.00 42.02 H HETATM 207 HB21 AIB A 15 1.202 21.849 -7.463 1.00 0.41 H HETATM 208 HB22 AIB A 15 0.164 21.481 -6.086 1.00 32.43 H HETATM 209 HB23 AIB A 15 -0.166 22.896 -7.085 1.00 12.13 H ATOM 210 N PRO A 16 -2.121 21.306 -9.955 1.00 23.40 N ATOM 211 CA PRO A 16 -2.735 22.006 -11.087 1.00 20.02 C ATOM 212 C PRO A 16 -3.259 23.385 -10.700 1.00 33.40 C ATOM 213 O PRO A 16 -3.267 24.308 -11.514 1.00 60.14 O ATOM 214 CB PRO A 16 -3.892 21.087 -11.487 1.00 63.11 C ATOM 215 CG PRO A 16 -3.478 19.733 -11.024 1.00 24.12 C ATOM 216 CD PRO A 16 -2.567 19.906 -9.859 1.00 21.44 C ATOM 217 HA PRO A 16 -2.047 22.103 -11.914 1.00 71.20 H ATOM 218 HB2 PRO A 16 -4.799 21.412 -10.998 1.00 52.31 H ATOM 219 HB3 PRO A 16 -4.024 21.114 -12.558 1.00 42.13 H ATOM 220 HG2 PRO A 16 -4.345 19.168 -10.719 1.00 71.31 H ATOM 221 HG3 PRO A 16 -2.952 19.219 -11.815 1.00 54.25 H ATOM 222 HD2 PRO A 16 -3.056 19.721 -8.914 1.00 30.13 H ATOM 223 HD3 PRO A 16 -1.738 19.227 -9.995 1.00 43.13 H HETATM 224 N PHL A 17 -3.697 23.517 -9.452 1.00 43.52 N HETATM 225 CA PHL A 17 -4.223 24.784 -8.958 1.00 14.15 C HETATM 226 C PHL A 17 -3.262 25.420 -7.958 1.00 23.11 C HETATM 227 O PHL A 17 -3.536 26.817 -7.797 1.00 4.20 O HETATM 228 CB PHL A 17 -5.590 24.572 -8.303 1.00 71.32 C HETATM 229 CG PHL A 17 -6.637 24.063 -9.253 1.00 1.42 C HETATM 230 CD1 PHL A 17 -7.177 24.896 -10.220 1.00 31.14 C HETATM 231 CD2 PHL A 17 -7.081 22.753 -9.178 1.00 51.02 C HETATM 232 CE1 PHL A 17 -8.140 24.431 -11.095 1.00 53.24 C HETATM 233 CE2 PHL A 17 -8.044 22.283 -10.051 1.00 64.34 C HETATM 234 CZ PHL A 17 -8.575 23.123 -11.010 1.00 43.03 C HETATM 235 H PHL A 17 -3.665 22.745 -8.850 1.00 21.33 H HETATM 236 HA PHL A 17 -4.337 25.447 -9.801 1.00 41.03 H HETATM 237 HC1 PHL A 17 -3.369 24.932 -7.000 1.00 73.24 H HETATM 238 HC2 PHL A 17 -2.249 25.303 -8.314 1.00 61.23 H HETATM 239 HO PHL A 17 -4.139 26.943 -7.061 1.00 25.14 H HETATM 240 HB2 PHL A 17 -5.491 23.853 -7.504 1.00 22.30 H HETATM 241 HB3 PHL A 17 -5.936 25.510 -7.897 1.00 12.01 H HETATM 242 HD1 PHL A 17 -6.838 25.920 -10.287 1.00 2.22 H HETATM 243 HD2 PHL A 17 -6.668 22.095 -8.428 1.00 64.22 H HETATM 244 HE1 PHL A 17 -8.553 25.091 -11.844 1.00 12.22 H HETATM 245 HE2 PHL A 17 -8.382 21.259 -9.983 1.00 1.53 H HETATM 246 HZ PHL A 17 -9.327 22.758 -11.694 1.00 24.22 H TER 247 PHL A 17