HETATM 1 C ACE A 1 1.479 0.940 -2.196 1.00 15.11 C HETATM 2 O ACE A 1 1.755 2.139 -2.165 1.00 3.45 O HETATM 3 CH3 ACE A 1 2.052 -0.013 -1.166 1.00 60.12 C HETATM 4 H1 ACE A 1 2.679 -0.742 -1.658 1.00 54.32 H HETATM 5 H2 ACE A 1 1.246 -0.518 -0.654 1.00 4.02 H HETATM 6 H3 ACE A 1 2.641 0.542 -0.450 1.00 11.42 H ATOM 7 N PHE A 2 0.678 0.406 -3.113 1.00 2.52 N ATOM 8 CA PHE A 2 0.066 1.218 -4.159 1.00 22.33 C ATOM 9 C PHE A 2 -0.895 2.241 -3.561 1.00 5.41 C ATOM 10 O PHE A 2 -0.768 3.442 -3.802 1.00 31.44 O ATOM 11 CB PHE A 2 -0.677 0.326 -5.156 1.00 45.21 C ATOM 12 CG PHE A 2 -0.983 1.009 -6.458 1.00 41.32 C ATOM 13 CD1 PHE A 2 0.040 1.430 -7.292 1.00 41.25 C ATOM 14 CD2 PHE A 2 -2.294 1.231 -6.848 1.00 10.04 C ATOM 15 CE1 PHE A 2 -0.238 2.059 -8.492 1.00 34.24 C ATOM 16 CE2 PHE A 2 -2.579 1.859 -8.046 1.00 24.44 C ATOM 17 CZ PHE A 2 -1.550 2.274 -8.868 1.00 45.20 C ATOM 18 H PHE A 2 0.495 -0.556 -3.086 1.00 22.34 H ATOM 19 HA PHE A 2 0.856 1.741 -4.675 1.00 54.34 H ATOM 20 HB2 PHE A 2 -0.072 -0.542 -5.372 1.00 0.13 H ATOM 21 HB3 PHE A 2 -1.611 0.009 -4.718 1.00 41.40 H ATOM 22 HD1 PHE A 2 1.067 1.262 -6.998 1.00 52.35 H ATOM 23 HD2 PHE A 2 -3.100 0.908 -6.205 1.00 61.32 H ATOM 24 HE1 PHE A 2 0.569 2.382 -9.132 1.00 12.30 H ATOM 25 HE2 PHE A 2 -3.605 2.026 -8.338 1.00 4.24 H ATOM 26 HZ PHE A 2 -1.769 2.764 -9.805 1.00 13.44 H HETATM 27 N AIB A 3 -1.855 1.757 -2.781 1.00 14.22 N HETATM 28 CA AIB A 3 -2.838 2.629 -2.149 1.00 33.12 C HETATM 29 C AIB A 3 -2.119 3.728 -1.374 1.00 52.33 C HETATM 30 O AIB A 3 -2.438 4.909 -1.513 1.00 64.11 O HETATM 31 CB1 AIB A 3 -3.700 1.813 -1.191 1.00 73.12 C HETATM 32 CB2 AIB A 3 -3.724 3.257 -3.220 1.00 4.32 C HETATM 33 H AIB A 3 -1.904 0.791 -2.627 1.00 33.13 H HETATM 34 HB11 AIB A 3 -4.705 2.208 -1.186 1.00 13.23 H HETATM 35 HB12 AIB A 3 -3.285 1.870 -0.196 1.00 14.23 H HETATM 36 HB13 AIB A 3 -3.720 0.782 -1.514 1.00 54.51 H HETATM 37 HB21 AIB A 3 -3.162 4.009 -3.756 1.00 34.43 H HETATM 38 HB22 AIB A 3 -4.583 3.715 -2.753 1.00 75.12 H HETATM 39 HB23 AIB A 3 -4.052 2.493 -3.909 1.00 50.41 H HETATM 40 N AIB A 4 -1.148 3.332 -0.558 1.00 41.04 N HETATM 41 CA AIB A 4 -0.383 4.284 0.238 1.00 14.04 C HETATM 42 C AIB A 4 0.361 5.240 -0.688 1.00 12.13 C HETATM 43 O AIB A 4 0.485 6.430 -0.398 1.00 20.40 O HETATM 44 CB1 AIB A 4 0.621 3.531 1.105 1.00 55.00 C HETATM 45 CB2 AIB A 4 -1.332 5.077 1.132 1.00 70.35 C HETATM 46 H AIB A 4 -0.941 2.377 -0.491 1.00 25.12 H HETATM 47 HB11 AIB A 4 0.187 2.596 1.428 1.00 23.00 H HETATM 48 HB12 AIB A 4 0.871 4.129 1.969 1.00 54.44 H HETATM 49 HB13 AIB A 4 1.515 3.335 0.532 1.00 73.41 H HETATM 50 HB21 AIB A 4 -0.764 5.595 1.890 1.00 42.13 H HETATM 51 HB22 AIB A 4 -2.030 4.402 1.604 1.00 74.53 H HETATM 52 HB23 AIB A 4 -1.874 5.795 0.534 1.00 63.34 H HETATM 53 N AIB A 5 0.854 4.712 -1.803 1.00 30.40 N HETATM 54 CA AIB A 5 1.586 5.518 -2.772 1.00 1.31 C HETATM 55 C AIB A 5 0.727 6.703 -3.199 1.00 52.45 C HETATM 56 O AIB A 5 1.242 7.777 -3.507 1.00 44.52 O HETATM 57 CB1 AIB A 5 1.922 4.667 -3.992 1.00 14.10 C HETATM 58 CB2 AIB A 5 2.876 6.028 -2.138 1.00 11.24 C HETATM 59 H AIB A 5 0.722 3.757 -1.978 1.00 64.32 H HETATM 60 HB11 AIB A 5 1.518 3.674 -3.860 1.00 24.10 H HETATM 61 HB12 AIB A 5 2.994 4.608 -4.106 1.00 10.11 H HETATM 62 HB13 AIB A 5 1.490 5.117 -4.874 1.00 61.52 H HETATM 63 HB21 AIB A 5 3.522 6.427 -2.906 1.00 14.42 H HETATM 64 HB22 AIB A 5 3.376 5.214 -1.634 1.00 60.03 H HETATM 65 HB23 AIB A 5 2.643 6.804 -1.423 1.00 45.45 H HETATM 66 N DIV A 6 -0.586 6.500 -3.216 1.00 55.01 N HETATM 67 CA DIV A 6 -1.518 7.552 -3.606 1.00 64.11 C HETATM 68 CB1 DIV A 6 -1.348 7.856 -5.091 1.00 32.11 C HETATM 69 CG1 DIV A 6 -1.324 6.622 -5.966 1.00 43.23 C HETATM 70 CB2 DIV A 6 -2.947 7.090 -3.342 1.00 24.44 C HETATM 71 C DIV A 6 -1.232 8.811 -2.794 1.00 22.53 C HETATM 72 O DIV A 6 -1.406 9.928 -3.279 1.00 33.44 O HETATM 73 H DIV A 6 -0.937 5.622 -2.960 1.00 74.21 H HETATM 74 HB11 DIV A 6 -0.424 8.395 -5.242 1.00 33.55 H HETATM 75 HB12 DIV A 6 -2.160 8.487 -5.421 1.00 12.05 H HETATM 76 HG11 DIV A 6 -0.300 6.335 -6.156 1.00 2.52 H HETATM 77 HG12 DIV A 6 -1.817 6.836 -6.903 1.00 61.41 H HETATM 78 HG13 DIV A 6 -1.837 5.815 -5.465 1.00 63.21 H HETATM 79 HB21 DIV A 6 -3.129 7.075 -2.277 1.00 52.42 H HETATM 80 HB22 DIV A 6 -3.084 6.097 -3.744 1.00 20.22 H HETATM 81 HB23 DIV A 6 -3.639 7.769 -3.817 1.00 4.35 H ATOM 82 N GLY A 7 -0.791 8.621 -1.553 1.00 52.25 N ATOM 83 CA GLY A 7 -0.488 9.750 -0.693 1.00 54.24 C ATOM 84 C GLY A 7 0.466 10.733 -1.342 1.00 10.34 C ATOM 85 O GLY A 7 0.366 11.942 -1.126 1.00 31.25 O ATOM 86 H GLY A 7 -0.671 7.707 -1.220 1.00 1.41 H ATOM 87 HA2 GLY A 7 -1.408 10.262 -0.453 1.00 10.32 H ATOM 88 HA3 GLY A 7 -0.043 9.383 0.220 1.00 51.03 H ATOM 89 N LEU A 8 1.395 10.216 -2.137 1.00 64.13 N ATOM 90 CA LEU A 8 2.374 11.057 -2.818 1.00 71.34 C ATOM 91 C LEU A 8 1.738 11.785 -3.998 1.00 44.41 C ATOM 92 O LEU A 8 2.200 12.852 -4.403 1.00 61.45 O ATOM 93 CB LEU A 8 3.553 10.211 -3.302 1.00 44.20 C ATOM 94 CG LEU A 8 4.272 9.388 -2.233 1.00 31.43 C ATOM 95 CD1 LEU A 8 5.650 8.967 -2.719 1.00 41.32 C ATOM 96 CD2 LEU A 8 4.380 10.176 -0.935 1.00 73.24 C ATOM 97 H LEU A 8 1.425 9.246 -2.271 1.00 23.13 H ATOM 98 HA LEU A 8 2.732 11.788 -2.110 1.00 4.33 H ATOM 99 HB2 LEU A 8 3.185 9.529 -4.053 1.00 22.14 H ATOM 100 HB3 LEU A 8 4.277 10.879 -3.749 1.00 33.25 H ATOM 101 HG LEU A 8 3.701 8.491 -2.034 1.00 21.02 H ATOM 102 HD11 LEU A 8 5.548 8.201 -3.472 1.00 73.31 H ATOM 103 HD12 LEU A 8 6.223 8.582 -1.889 1.00 10.24 H ATOM 104 HD13 LEU A 8 6.159 9.822 -3.141 1.00 72.22 H ATOM 105 HD21 LEU A 8 3.453 10.093 -0.386 1.00 63.15 H ATOM 106 HD22 LEU A 8 4.573 11.215 -1.161 1.00 33.24 H ATOM 107 HD23 LEU A 8 5.188 9.780 -0.340 1.00 24.44 H HETATM 108 N AIB A 9 0.675 11.203 -4.543 1.00 42.43 N HETATM 109 CA AIB A 9 -0.025 11.799 -5.675 1.00 33.50 C HETATM 110 C AIB A 9 -0.991 12.866 -5.171 1.00 22.01 C HETATM 111 O AIB A 9 -1.467 13.699 -5.941 1.00 11.41 O HETATM 112 CB1 AIB A 9 -0.805 10.717 -6.416 1.00 44.31 C HETATM 113 CB2 AIB A 9 0.987 12.435 -6.622 1.00 31.13 C HETATM 114 H AIB A 9 0.354 10.354 -4.176 1.00 24.23 H HETATM 115 HB11 AIB A 9 -1.195 11.123 -7.338 1.00 34.24 H HETATM 116 HB12 AIB A 9 -1.622 10.375 -5.798 1.00 64.02 H HETATM 117 HB13 AIB A 9 -0.149 9.888 -6.637 1.00 44.21 H HETATM 118 HB21 AIB A 9 0.604 12.404 -7.631 1.00 44.23 H HETATM 119 HB22 AIB A 9 1.918 11.890 -6.573 1.00 30.42 H HETATM 120 HB23 AIB A 9 1.155 13.461 -6.332 1.00 3.54 H HETATM 121 N AIB A 10 -1.275 12.834 -3.873 1.00 51.11 N HETATM 122 CA AIB A 10 -2.184 13.799 -3.266 1.00 60.01 C HETATM 123 C AIB A 10 -1.655 15.211 -3.498 1.00 33.44 C HETATM 124 O AIB A 10 -2.347 16.080 -4.028 1.00 34.22 O HETATM 125 CB1 AIB A 10 -2.282 13.532 -1.768 1.00 11.22 C HETATM 126 CB2 AIB A 10 -3.565 13.663 -3.898 1.00 53.51 C HETATM 127 H AIB A 10 -0.864 12.145 -3.311 1.00 1.35 H HETATM 128 HB11 AIB A 10 -3.321 13.471 -1.480 1.00 73.23 H HETATM 129 HB12 AIB A 10 -1.806 14.337 -1.227 1.00 22.40 H HETATM 130 HB13 AIB A 10 -1.789 12.600 -1.535 1.00 45.10 H HETATM 131 HB21 AIB A 10 -3.902 12.641 -3.812 1.00 21.11 H HETATM 132 HB22 AIB A 10 -3.512 13.938 -4.941 1.00 55.42 H HETATM 133 HB23 AIB A 10 -4.260 14.315 -3.389 1.00 3.22 H HETATM 134 N HYP A 11 -0.399 15.446 -3.091 1.00 40.42 N HETATM 135 CA HYP A 11 0.251 16.751 -3.244 1.00 52.45 C HETATM 136 C HYP A 11 0.227 17.245 -4.687 1.00 63.21 C HETATM 137 O HYP A 11 0.423 18.431 -4.949 1.00 43.14 O HETATM 138 CB HYP A 11 1.689 16.487 -2.793 1.00 64.43 C HETATM 139 CG HYP A 11 1.598 15.277 -1.928 1.00 4.42 C HETATM 140 CD HYP A 11 0.484 14.457 -2.451 1.00 61.12 C HETATM 141 OD1 HYP A 11 1.909 15.595 -0.565 1.00 71.13 O HETATM 142 HA HYP A 11 -0.198 17.496 -2.603 1.00 71.12 H HETATM 143 HB2 HYP A 11 2.313 16.309 -3.658 1.00 24.42 H HETATM 144 HB3 HYP A 11 2.061 17.338 -2.243 1.00 53.35 H HETATM 145 HG HYP A 11 2.277 14.523 -2.298 1.00 34.21 H HETATM 146 HD22 HYP A 11 0.711 13.647 -3.129 1.00 3.40 H HETATM 147 HD23 HYP A 11 0.042 14.077 -1.542 1.00 13.40 H HETATM 148 HD1 HYP A 11 1.102 15.602 -0.046 1.00 15.10 H ATOM 149 N GLN A 12 -0.014 16.327 -5.618 1.00 0.13 N ATOM 150 CA GLN A 12 -0.063 16.670 -7.034 1.00 3.50 C ATOM 151 C GLN A 12 -1.470 17.094 -7.443 1.00 65.45 C ATOM 152 O GLN A 12 -1.663 17.708 -8.492 1.00 62.11 O ATOM 153 CB GLN A 12 0.393 15.483 -7.884 1.00 45.41 C ATOM 154 CG GLN A 12 1.903 15.315 -7.934 1.00 5.14 C ATOM 155 CD GLN A 12 2.605 16.514 -8.541 1.00 73.03 C ATOM 156 OE1 GLN A 12 2.701 16.638 -9.763 1.00 0.24 O ATOM 157 NE2 GLN A 12 3.099 17.405 -7.690 1.00 41.21 N ATOM 158 H GLN A 12 -0.162 15.398 -5.346 1.00 32.03 H ATOM 159 HA GLN A 12 0.611 17.498 -7.197 1.00 55.25 H ATOM 160 HB2 GLN A 12 -0.035 14.579 -7.478 1.00 51.32 H ATOM 161 HB3 GLN A 12 0.035 15.620 -8.894 1.00 3.42 H ATOM 162 HG2 GLN A 12 2.271 15.175 -6.928 1.00 14.03 H ATOM 163 HG3 GLN A 12 2.136 14.442 -8.525 1.00 50.03 H ATOM 164 HE21 GLN A 12 2.986 17.240 -6.730 1.00 60.01 H ATOM 165 HE22 GLN A 12 3.558 18.189 -8.055 1.00 50.23 H HETATM 166 N DIV A 13 -2.449 16.760 -6.609 1.00 42.31 N HETATM 167 CA DIV A 13 -3.838 17.105 -6.885 1.00 11.51 C HETATM 168 CB1 DIV A 13 -4.258 16.497 -8.219 1.00 31.34 C HETATM 169 CG1 DIV A 13 -3.534 15.212 -8.557 1.00 31.03 C HETATM 170 CB2 DIV A 13 -4.728 16.558 -5.774 1.00 10.43 C HETATM 171 C DIV A 13 -3.982 18.622 -6.951 1.00 4.32 C HETATM 172 O DIV A 13 -4.531 19.178 -7.902 1.00 74.41 O HETATM 173 H DIV A 13 -2.232 16.271 -5.789 1.00 23.43 H HETATM 174 HB11 DIV A 13 -4.071 17.208 -9.010 1.00 25.52 H HETATM 175 HB12 DIV A 13 -5.318 16.291 -8.199 1.00 11.13 H HETATM 176 HG11 DIV A 13 -3.412 14.621 -7.661 1.00 34.21 H HETATM 177 HG12 DIV A 13 -2.563 15.444 -8.969 1.00 74.35 H HETATM 178 HG13 DIV A 13 -4.109 14.654 -9.281 1.00 14.23 H HETATM 179 HB21 DIV A 13 -4.200 15.783 -5.239 1.00 33.31 H HETATM 180 HB22 DIV A 13 -5.630 16.149 -6.204 1.00 13.42 H HETATM 181 HB23 DIV A 13 -4.984 17.356 -5.092 1.00 23.02 H HETATM 182 N HYP A 14 -3.476 19.310 -5.916 1.00 42.44 N HETATM 183 CA HYP A 14 -3.535 20.773 -5.834 1.00 31.33 C HETATM 184 C HYP A 14 -2.414 21.444 -6.621 1.00 35.34 C HETATM 185 O HYP A 14 -2.363 22.669 -6.724 1.00 74.12 O HETATM 186 CB HYP A 14 -3.377 21.050 -4.337 1.00 14.04 C HETATM 187 CG HYP A 14 -2.673 19.851 -3.801 1.00 50.34 C HETATM 188 CD HYP A 14 -2.807 18.714 -4.748 1.00 63.32 C HETATM 189 OD1 HYP A 14 -3.191 19.480 -2.518 1.00 73.21 O HETATM 190 HA HYP A 14 -4.488 21.151 -6.173 1.00 52.02 H HETATM 191 HB2 HYP A 14 -2.794 21.949 -4.194 1.00 22.31 H HETATM 192 HB3 HYP A 14 -4.350 21.170 -3.885 1.00 14.43 H HETATM 193 HG HYP A 14 -1.616 20.062 -3.729 1.00 53.02 H HETATM 194 HD22 HYP A 14 -1.849 18.297 -5.023 1.00 72.13 H HETATM 195 HD23 HYP A 14 -3.431 17.960 -4.290 1.00 42.35 H HETATM 196 HD1 HYP A 14 -4.120 19.718 -2.466 1.00 61.34 H HETATM 197 N AIB A 15 -1.519 20.633 -7.174 1.00 24.10 N HETATM 198 CA AIB A 15 -0.399 21.149 -7.952 1.00 61.22 C HETATM 199 C AIB A 15 -0.926 22.033 -9.077 1.00 73.13 C HETATM 200 O AIB A 15 -0.569 23.205 -9.199 1.00 21.25 O HETATM 201 CB1 AIB A 15 0.387 19.984 -8.546 1.00 53.43 C HETATM 202 CB2 AIB A 15 0.514 21.969 -7.047 1.00 23.21 C HETATM 203 H AIB A 15 -1.613 19.665 -7.056 1.00 61.20 H HETATM 204 HB11 AIB A 15 0.264 19.978 -9.619 1.00 61.33 H HETATM 205 HB12 AIB A 15 0.019 19.056 -8.136 1.00 71.50 H HETATM 206 HB13 AIB A 15 1.433 20.095 -8.304 1.00 43.51 H HETATM 207 HB21 AIB A 15 -0.069 22.716 -6.529 1.00 22.33 H HETATM 208 HB22 AIB A 15 1.272 22.454 -7.644 1.00 50.13 H HETATM 209 HB23 AIB A 15 0.987 21.317 -6.327 1.00 15.14 H ATOM 210 N PRO A 16 -1.798 21.460 -9.921 1.00 45.43 N ATOM 211 CA PRO A 16 -2.393 22.179 -11.052 1.00 35.15 C ATOM 212 C PRO A 16 -3.461 23.174 -10.608 1.00 65.13 C ATOM 213 O PRO A 16 -3.931 23.990 -11.402 1.00 21.54 O ATOM 214 CB PRO A 16 -3.019 21.062 -11.891 1.00 52.53 C ATOM 215 CG PRO A 16 -3.293 19.966 -10.920 1.00 54.44 C ATOM 216 CD PRO A 16 -2.268 20.068 -9.837 1.00 33.32 C ATOM 217 HA PRO A 16 -1.643 22.693 -11.635 1.00 15.14 H ATOM 218 HB2 PRO A 16 -3.929 21.421 -12.351 1.00 15.42 H ATOM 219 HB3 PRO A 16 -2.324 20.748 -12.655 1.00 4.41 H ATOM 220 HG2 PRO A 16 -4.280 20.086 -10.501 1.00 14.04 H ATOM 221 HG3 PRO A 16 -3.207 19.009 -11.414 1.00 13.53 H ATOM 222 HD2 PRO A 16 -2.732 19.875 -8.881 1.00 33.31 H ATOM 223 HD3 PRO A 16 -1.457 19.376 -10.011 1.00 53.12 H HETATM 224 N PHL A 17 -3.838 23.102 -9.336 1.00 74.33 N HETATM 225 CA PHL A 17 -4.851 23.996 -8.788 1.00 1.24 C HETATM 226 C PHL A 17 -4.239 24.947 -7.763 1.00 20.22 C HETATM 227 O PHL A 17 -5.127 26.034 -7.474 1.00 61.02 O HETATM 228 CB PHL A 17 -5.979 23.189 -8.141 1.00 41.15 C HETATM 229 CG PHL A 17 -7.070 22.809 -9.101 1.00 64.44 C HETATM 230 CD1 PHL A 17 -7.724 23.776 -9.846 1.00 42.35 C HETATM 231 CD2 PHL A 17 -7.441 21.483 -9.258 1.00 71.13 C HETATM 232 CE1 PHL A 17 -8.728 23.430 -10.731 1.00 63.50 C HETATM 233 CE2 PHL A 17 -8.444 21.130 -10.142 1.00 2.15 C HETATM 234 CZ PHL A 17 -9.089 22.105 -10.878 1.00 22.42 C HETATM 235 H PHL A 17 -3.427 22.430 -8.753 1.00 22.13 H HETATM 236 HA PHL A 17 -5.256 24.576 -9.602 1.00 41.42 H HETATM 237 HC1 PHL A 17 -4.042 24.406 -6.849 1.00 14.34 H HETATM 238 HC2 PHL A 17 -3.316 25.347 -8.155 1.00 24.30 H HETATM 239 HO PHL A 17 -4.705 26.638 -6.859 1.00 22.22 H HETATM 240 HB2 PHL A 17 -5.570 22.280 -7.728 1.00 21.24 H HETATM 241 HB3 PHL A 17 -6.421 23.774 -7.349 1.00 34.50 H HETATM 242 HD1 PHL A 17 -7.442 24.814 -9.732 1.00 30.20 H HETATM 243 HD2 PHL A 17 -6.939 20.720 -8.682 1.00 65.34 H HETATM 244 HE1 PHL A 17 -9.230 24.194 -11.305 1.00 43.20 H HETATM 245 HE2 PHL A 17 -8.725 20.093 -10.254 1.00 45.53 H HETATM 246 HZ PHL A 17 -9.872 21.831 -11.569 1.00 12.42 H TER 247 PHL A 17