HETATM 1 C ACE A 1 1.509 0.892 -2.193 1.00 2.33 C HETATM 2 O ACE A 1 1.746 2.098 -2.117 1.00 10.15 O HETATM 3 CH3 ACE A 1 2.083 -0.074 -1.176 1.00 23.21 C HETATM 4 H1 ACE A 1 3.152 -0.146 -1.309 1.00 43.41 H HETATM 5 H2 ACE A 1 1.637 -1.048 -1.312 1.00 65.43 H HETATM 6 H3 ACE A 1 1.868 0.283 -0.178 1.00 64.44 H ATOM 7 N PHE A 2 0.753 0.363 -3.149 1.00 24.21 N ATOM 8 CA PHE A 2 0.146 1.187 -4.187 1.00 71.24 C ATOM 9 C PHE A 2 -0.832 2.190 -3.583 1.00 51.11 C ATOM 10 O PHE A 2 -0.721 3.395 -3.808 1.00 64.35 O ATOM 11 CB PHE A 2 -0.576 0.306 -5.210 1.00 2.33 C ATOM 12 CG PHE A 2 -0.878 1.011 -6.501 1.00 44.31 C ATOM 13 CD1 PHE A 2 0.148 1.437 -7.329 1.00 44.23 C ATOM 14 CD2 PHE A 2 -2.187 1.248 -6.887 1.00 71.42 C ATOM 15 CE1 PHE A 2 -0.127 2.087 -8.518 1.00 23.22 C ATOM 16 CE2 PHE A 2 -2.468 1.896 -8.075 1.00 13.51 C ATOM 17 CZ PHE A 2 -1.437 2.316 -8.892 1.00 25.34 C ATOM 18 H PHE A 2 0.601 -0.606 -3.157 1.00 1.35 H ATOM 19 HA PHE A 2 0.936 1.727 -4.685 1.00 2.41 H ATOM 20 HB2 PHE A 2 0.041 -0.550 -5.436 1.00 45.02 H ATOM 21 HB3 PHE A 2 -1.511 -0.030 -4.787 1.00 64.45 H ATOM 22 HD1 PHE A 2 1.173 1.258 -7.039 1.00 42.00 H ATOM 23 HD2 PHE A 2 -2.995 0.920 -6.249 1.00 34.44 H ATOM 24 HE1 PHE A 2 0.682 2.413 -9.155 1.00 12.32 H ATOM 25 HE2 PHE A 2 -3.494 2.074 -8.364 1.00 24.41 H ATOM 26 HZ PHE A 2 -1.654 2.823 -9.819 1.00 41.35 H HETATM 27 N AIB A 3 -1.791 1.683 -2.815 1.00 2.44 N HETATM 28 CA AIB A 3 -2.789 2.534 -2.178 1.00 11.00 C HETATM 29 C AIB A 3 -2.090 3.635 -1.388 1.00 44.22 C HETATM 30 O AIB A 3 -2.428 4.812 -1.511 1.00 74.23 O HETATM 31 CB1 AIB A 3 -3.644 1.695 -1.233 1.00 43.45 C HETATM 32 CB2 AIB A 3 -3.678 3.161 -3.246 1.00 54.24 C HETATM 33 H AIB A 3 -1.827 0.715 -2.673 1.00 34.35 H HETATM 34 HB11 AIB A 3 -4.299 2.343 -0.670 1.00 1.02 H HETATM 35 HB12 AIB A 3 -3.003 1.152 -0.555 1.00 2.44 H HETATM 36 HB13 AIB A 3 -4.235 0.997 -1.807 1.00 64.42 H HETATM 37 HB21 AIB A 3 -4.093 2.384 -3.871 1.00 53.12 H HETATM 38 HB22 AIB A 3 -3.092 3.836 -3.853 1.00 22.34 H HETATM 39 HB23 AIB A 3 -4.480 3.708 -2.772 1.00 42.21 H HETATM 40 N AIB A 4 -1.112 3.245 -0.577 1.00 61.20 N HETATM 41 CA AIB A 4 -0.365 4.199 0.233 1.00 5.01 C HETATM 42 C AIB A 4 0.362 5.182 -0.679 1.00 72.44 C HETATM 43 O AIB A 4 0.470 6.368 -0.370 1.00 23.44 O HETATM 44 CB1 AIB A 4 0.653 3.452 1.089 1.00 44.14 C HETATM 45 CB2 AIB A 4 -1.327 4.961 1.138 1.00 41.53 C HETATM 46 H AIB A 4 -0.888 2.293 -0.522 1.00 70.52 H HETATM 47 HB11 AIB A 4 0.903 4.048 1.954 1.00 12.11 H HETATM 48 HB12 AIB A 4 1.546 3.269 0.508 1.00 33.35 H HETATM 49 HB13 AIB A 4 0.232 2.510 1.409 1.00 5.51 H HETATM 50 HB21 AIB A 4 -2.010 4.267 1.603 1.00 34.31 H HETATM 51 HB22 AIB A 4 -1.884 5.676 0.550 1.00 73.33 H HETATM 52 HB23 AIB A 4 -0.767 5.482 1.901 1.00 55.11 H HETATM 53 N AIB A 5 0.857 4.680 -1.806 1.00 25.43 N HETATM 54 CA AIB A 5 1.574 5.513 -2.764 1.00 14.44 C HETATM 55 C AIB A 5 0.688 6.682 -3.182 1.00 51.12 C HETATM 56 O AIB A 5 1.179 7.771 -3.479 1.00 62.45 O HETATM 57 CB1 AIB A 5 1.933 4.683 -3.991 1.00 44.01 C HETATM 58 CB2 AIB A 5 2.849 6.047 -2.119 1.00 52.14 C HETATM 59 H AIB A 5 0.739 3.726 -1.997 1.00 13.10 H HETATM 60 HB11 AIB A 5 2.261 3.702 -3.679 1.00 42.40 H HETATM 61 HB12 AIB A 5 2.728 5.172 -4.536 1.00 74.40 H HETATM 62 HB13 AIB A 5 1.066 4.587 -4.628 1.00 2.13 H HETATM 63 HB21 AIB A 5 2.620 6.938 -1.553 1.00 23.45 H HETATM 64 HB22 AIB A 5 3.569 6.285 -2.889 1.00 35.13 H HETATM 65 HB23 AIB A 5 3.261 5.297 -1.461 1.00 34.23 H HETATM 66 N DIV A 6 -0.620 6.449 -3.203 1.00 73.20 N HETATM 67 CA DIV A 6 -1.575 7.482 -3.585 1.00 43.43 C HETATM 68 CB1 DIV A 6 -1.407 7.806 -5.066 1.00 52.51 C HETATM 69 CG1 DIV A 6 -1.357 6.584 -5.955 1.00 73.54 C HETATM 70 CB2 DIV A 6 -2.993 6.983 -3.331 1.00 53.44 C HETATM 71 C DIV A 6 -1.322 8.739 -2.758 1.00 70.43 C HETATM 72 O DIV A 6 -1.527 9.856 -3.230 1.00 2.21 O HETATM 73 H DIV A 6 -0.951 5.560 -2.956 1.00 13.55 H HETATM 74 HB11 DIV A 6 -0.493 8.364 -5.208 1.00 31.11 H HETATM 75 HB12 DIV A 6 -2.230 8.426 -5.391 1.00 0.02 H HETATM 76 HG11 DIV A 6 -1.727 6.837 -6.938 1.00 12.42 H HETATM 77 HG12 DIV A 6 -1.972 5.804 -5.530 1.00 24.20 H HETATM 78 HG13 DIV A 6 -0.338 6.236 -6.033 1.00 43.33 H HETATM 79 HB21 DIV A 6 -3.679 7.501 -3.986 1.00 34.23 H HETATM 80 HB22 DIV A 6 -3.263 7.174 -2.303 1.00 73.02 H HETATM 81 HB23 DIV A 6 -3.042 5.922 -3.526 1.00 3.14 H ATOM 82 N GLY A 7 -0.875 8.546 -1.521 1.00 14.54 N ATOM 83 CA GLY A 7 -0.602 9.673 -0.647 1.00 71.04 C ATOM 84 C GLY A 7 0.343 10.678 -1.276 1.00 74.00 C ATOM 85 O GLY A 7 0.230 11.881 -1.037 1.00 2.03 O ATOM 86 H GLY A 7 -0.730 7.632 -1.198 1.00 14.41 H ATOM 87 HA2 GLY A 7 -1.533 10.167 -0.413 1.00 52.13 H ATOM 88 HA3 GLY A 7 -0.161 9.306 0.268 1.00 71.44 H ATOM 89 N LEU A 8 1.277 10.185 -2.081 1.00 45.40 N ATOM 90 CA LEU A 8 2.248 11.049 -2.745 1.00 73.02 C ATOM 91 C LEU A 8 1.612 11.775 -3.926 1.00 55.31 C ATOM 92 O LEU A 8 2.087 12.829 -4.349 1.00 22.41 O ATOM 93 CB LEU A 8 3.447 10.229 -3.223 1.00 23.34 C ATOM 94 CG LEU A 8 4.613 10.111 -2.240 1.00 62.43 C ATOM 95 CD1 LEU A 8 4.357 8.995 -1.239 1.00 72.33 C ATOM 96 CD2 LEU A 8 5.917 9.871 -2.987 1.00 24.42 C ATOM 97 H LEU A 8 1.317 9.219 -2.233 1.00 61.51 H ATOM 98 HA LEU A 8 2.585 11.781 -2.027 1.00 44.42 H ATOM 99 HB2 LEU A 8 3.099 9.232 -3.443 1.00 61.55 H ATOM 100 HB3 LEU A 8 3.821 10.687 -4.128 1.00 31.54 H ATOM 101 HG LEU A 8 4.707 11.037 -1.690 1.00 23.30 H ATOM 102 HD11 LEU A 8 5.064 9.071 -0.427 1.00 35.41 H ATOM 103 HD12 LEU A 8 4.472 8.039 -1.729 1.00 32.14 H ATOM 104 HD13 LEU A 8 3.352 9.082 -0.853 1.00 11.14 H ATOM 105 HD21 LEU A 8 6.355 10.819 -3.260 1.00 2.54 H ATOM 106 HD22 LEU A 8 5.720 9.295 -3.880 1.00 2.31 H ATOM 107 HD23 LEU A 8 6.601 9.327 -2.352 1.00 0.54 H HETATM 108 N AIB A 9 0.532 11.206 -4.453 1.00 23.14 N HETATM 109 CA AIB A 9 -0.171 11.800 -5.583 1.00 44.32 C HETATM 110 C AIB A 9 -1.112 12.890 -5.081 1.00 22.13 C HETATM 111 O AIB A 9 -1.580 13.725 -5.854 1.00 62.33 O HETATM 112 CB1 AIB A 9 -0.977 10.724 -6.303 1.00 43.42 C HETATM 113 CB2 AIB A 9 0.842 12.408 -6.548 1.00 53.33 C HETATM 114 H AIB A 9 0.201 10.366 -4.072 1.00 11.23 H HETATM 115 HB11 AIB A 9 -1.428 11.146 -7.189 1.00 74.53 H HETATM 116 HB12 AIB A 9 -1.750 10.354 -5.646 1.00 63.24 H HETATM 117 HB13 AIB A 9 -0.323 9.912 -6.584 1.00 23.01 H HETATM 118 HB21 AIB A 9 1.032 13.435 -6.271 1.00 75.14 H HETATM 119 HB22 AIB A 9 0.447 12.374 -7.553 1.00 61.51 H HETATM 120 HB23 AIB A 9 1.763 11.847 -6.504 1.00 4.10 H HETATM 121 N AIB A 10 -1.385 12.875 -3.780 1.00 41.31 N HETATM 122 CA AIB A 10 -2.271 13.862 -3.174 1.00 45.33 C HETATM 123 C AIB A 10 -1.719 15.262 -3.425 1.00 70.10 C HETATM 124 O AIB A 10 -2.401 16.138 -3.957 1.00 1.33 O HETATM 125 CB1 AIB A 10 -2.359 13.612 -1.672 1.00 42.25 C HETATM 126 CB2 AIB A 10 -3.660 13.745 -3.792 1.00 11.33 C HETATM 127 H AIB A 10 -0.981 12.184 -3.215 1.00 12.42 H HETATM 128 HB11 AIB A 10 -3.396 13.573 -1.374 1.00 71.04 H HETATM 129 HB12 AIB A 10 -1.862 14.413 -1.144 1.00 74.14 H HETATM 130 HB13 AIB A 10 -1.880 12.673 -1.435 1.00 53.51 H HETATM 131 HB21 AIB A 10 -4.338 14.415 -3.283 1.00 22.34 H HETATM 132 HB22 AIB A 10 -4.014 12.730 -3.692 1.00 31.13 H HETATM 133 HB23 AIB A 10 -3.612 14.009 -4.838 1.00 74.51 H HETATM 134 N HYP A 11 -0.455 15.479 -3.034 1.00 25.22 N HETATM 135 CA HYP A 11 0.217 16.770 -3.207 1.00 10.45 C HETATM 136 C HYP A 11 0.187 17.250 -4.654 1.00 3.24 C HETATM 137 O HYP A 11 0.402 18.430 -4.930 1.00 13.24 O HETATM 138 CB HYP A 11 1.655 16.484 -2.767 1.00 41.05 C HETATM 139 CG HYP A 11 1.551 15.285 -1.889 1.00 44.30 C HETATM 140 CD HYP A 11 0.417 14.480 -2.393 1.00 63.22 C HETATM 141 OD1 HYP A 11 1.856 15.616 -0.528 1.00 42.14 O HETATM 142 HA HYP A 11 -0.212 17.529 -2.568 1.00 42.02 H HETATM 143 HB2 HYP A 11 2.267 16.286 -3.637 1.00 11.45 H HETATM 144 HB3 HYP A 11 2.047 17.334 -2.230 1.00 43.31 H HETATM 145 HG HYP A 11 2.227 14.522 -2.247 1.00 12.33 H HETATM 146 HD22 HYP A 11 0.624 13.661 -3.066 1.00 22.42 H HETATM 147 HD23 HYP A 11 -0.023 14.116 -1.477 1.00 32.13 H HETATM 148 HD1 HYP A 11 1.085 16.008 -0.113 1.00 54.54 H ATOM 149 N GLN A 12 -0.080 16.328 -5.573 1.00 1.03 N ATOM 150 CA GLN A 12 -0.137 16.658 -6.992 1.00 10.53 C ATOM 151 C GLN A 12 -1.540 17.102 -7.391 1.00 54.32 C ATOM 152 O GLN A 12 -1.734 17.709 -8.444 1.00 3.50 O ATOM 153 CB GLN A 12 0.290 15.455 -7.835 1.00 14.53 C ATOM 154 CG GLN A 12 1.796 15.260 -7.898 1.00 12.21 C ATOM 155 CD GLN A 12 2.481 16.285 -8.781 1.00 35.31 C ATOM 156 OE1 GLN A 12 2.727 16.038 -9.962 1.00 22.32 O ATOM 157 NE2 GLN A 12 2.792 17.444 -8.212 1.00 33.50 N ATOM 158 H GLN A 12 -0.242 15.404 -5.290 1.00 42.41 H ATOM 159 HA GLN A 12 0.549 17.473 -7.170 1.00 72.31 H ATOM 160 HB2 GLN A 12 -0.150 14.563 -7.416 1.00 15.04 H ATOM 161 HB3 GLN A 12 -0.077 15.589 -8.842 1.00 24.10 H ATOM 162 HG2 GLN A 12 2.199 15.342 -6.899 1.00 51.24 H ATOM 163 HG3 GLN A 12 2.002 14.275 -8.288 1.00 72.52 H ATOM 164 HE21 GLN A 12 2.566 17.570 -7.266 1.00 72.41 H ATOM 165 HE22 GLN A 12 3.236 18.123 -8.759 1.00 55.41 H HETATM 166 N DIV A 13 -2.517 16.795 -6.544 1.00 24.35 N HETATM 167 CA DIV A 13 -3.902 17.162 -6.809 1.00 35.33 C HETATM 168 CB1 DIV A 13 -4.347 16.547 -8.132 1.00 1.03 C HETATM 169 CG1 DIV A 13 -3.649 15.246 -8.464 1.00 12.32 C HETATM 170 CB2 DIV A 13 -4.790 16.642 -5.683 1.00 33.21 C HETATM 171 C DIV A 13 -4.020 18.680 -6.889 1.00 1.13 C HETATM 172 O DIV A 13 -4.570 19.235 -7.840 1.00 2.40 O HETATM 173 H DIV A 13 -2.300 16.310 -5.720 1.00 63.44 H HETATM 174 HB11 DIV A 13 -4.155 17.246 -8.932 1.00 51.41 H HETATM 175 HB12 DIV A 13 -5.410 16.360 -8.099 1.00 11.41 H HETATM 176 HG11 DIV A 13 -4.242 14.692 -9.177 1.00 23.34 H HETATM 177 HG12 DIV A 13 -3.529 14.662 -7.563 1.00 73.05 H HETATM 178 HG13 DIV A 13 -2.679 15.456 -8.889 1.00 2.55 H HETATM 179 HB21 DIV A 13 -5.704 16.245 -6.099 1.00 73.24 H HETATM 180 HB22 DIV A 13 -5.024 17.450 -5.006 1.00 54.54 H HETATM 181 HB23 DIV A 13 -4.271 15.862 -5.146 1.00 1.03 H HETATM 182 N HYP A 14 -3.491 19.370 -5.867 1.00 32.52 N HETATM 183 CA HYP A 14 -3.524 20.833 -5.799 1.00 2.54 C HETATM 184 C HYP A 14 -2.400 21.476 -6.604 1.00 1.50 C HETATM 185 O HYP A 14 -2.329 22.699 -6.721 1.00 42.42 O HETATM 186 CB HYP A 14 -3.345 21.123 -4.306 1.00 54.11 C HETATM 187 CG HYP A 14 -2.657 19.918 -3.766 1.00 24.40 C HETATM 188 CD HYP A 14 -2.820 18.773 -4.699 1.00 75.05 C HETATM 189 OD1 HYP A 14 -3.183 19.555 -2.484 1.00 34.14 O HETATM 190 HA HYP A 14 -4.474 21.225 -6.132 1.00 43.10 H HETATM 191 HB2 HYP A 14 -2.745 22.013 -4.179 1.00 23.32 H HETATM 192 HB3 HYP A 14 -4.311 21.265 -3.845 1.00 53.23 H HETATM 193 HG HYP A 14 -1.598 20.116 -3.691 1.00 2.44 H HETATM 194 HD22 HYP A 14 -1.873 18.337 -4.980 1.00 73.32 H HETATM 195 HD23 HYP A 14 -3.453 18.035 -4.228 1.00 2.33 H HETATM 196 HD1 HYP A 14 -2.493 19.629 -1.821 1.00 22.31 H HETATM 197 N AIB A 15 -1.524 20.644 -7.158 1.00 0.34 N HETATM 198 CA AIB A 15 -0.404 21.132 -7.953 1.00 4.54 C HETATM 199 C AIB A 15 -0.927 22.015 -9.081 1.00 72.51 C HETATM 200 O AIB A 15 -0.550 23.179 -9.218 1.00 72.51 O HETATM 201 CB1 AIB A 15 0.355 19.948 -8.543 1.00 12.40 C HETATM 202 CB2 AIB A 15 0.534 21.945 -7.065 1.00 55.03 C HETATM 203 H AIB A 15 -1.634 19.679 -7.028 1.00 41.43 H HETATM 204 HB11 AIB A 15 0.220 19.933 -9.614 1.00 64.25 H HETATM 205 HB12 AIB A 15 -0.025 19.030 -8.119 1.00 44.41 H HETATM 206 HB13 AIB A 15 1.406 20.043 -8.313 1.00 51.43 H HETATM 207 HB21 AIB A 15 -0.047 22.513 -6.353 1.00 71.41 H HETATM 208 HB22 AIB A 15 1.113 22.621 -7.677 1.00 60.51 H HETATM 209 HB23 AIB A 15 1.198 21.277 -6.537 1.00 43.43 H ATOM 210 N PRO A 16 -1.817 21.449 -9.910 1.00 54.21 N ATOM 211 CA PRO A 16 -2.412 22.167 -11.041 1.00 74.14 C ATOM 212 C PRO A 16 -3.457 23.185 -10.597 1.00 43.41 C ATOM 213 O PRO A 16 -3.919 24.003 -11.393 1.00 75.43 O ATOM 214 CB PRO A 16 -3.067 21.054 -11.863 1.00 61.40 C ATOM 215 CG PRO A 16 -3.350 19.972 -10.878 1.00 51.31 C ATOM 216 CD PRO A 16 -2.312 20.066 -9.807 1.00 1.15 C ATOM 217 HA PRO A 16 -1.660 22.662 -11.638 1.00 24.44 H ATOM 218 HB2 PRO A 16 -3.976 21.424 -12.316 1.00 44.14 H ATOM 219 HB3 PRO A 16 -2.385 20.719 -12.631 1.00 13.44 H ATOM 220 HG2 PRO A 16 -4.330 20.114 -10.449 1.00 33.11 H ATOM 221 HG3 PRO A 16 -3.287 19.009 -11.363 1.00 4.25 H ATOM 222 HD2 PRO A 16 -2.769 19.891 -8.844 1.00 1.02 H ATOM 223 HD3 PRO A 16 -1.515 19.358 -9.982 1.00 52.43 H HETATM 224 N PHL A 17 -3.824 23.131 -9.321 1.00 42.41 N HETATM 225 CA PHL A 17 -4.814 24.049 -8.771 1.00 53.40 C HETATM 226 C PHL A 17 -4.204 24.912 -7.670 1.00 52.23 C HETATM 227 O PHL A 17 -2.806 25.126 -7.899 1.00 23.42 O HETATM 228 CB PHL A 17 -6.011 23.272 -8.220 1.00 73.53 C HETATM 229 CG PHL A 17 -7.042 22.940 -9.262 1.00 5.20 C HETATM 230 CD1 PHL A 17 -8.270 23.581 -9.269 1.00 1.01 C HETATM 231 CD2 PHL A 17 -6.782 21.987 -10.234 1.00 4.51 C HETATM 232 CE1 PHL A 17 -9.220 23.279 -10.226 1.00 70.22 C HETATM 233 CE2 PHL A 17 -7.728 21.681 -11.194 1.00 5.51 C HETATM 234 CZ PHL A 17 -8.949 22.327 -11.189 1.00 63.14 C HETATM 235 H PHL A 17 -3.419 22.457 -8.735 1.00 40.43 H HETATM 236 HA PHL A 17 -5.150 24.691 -9.571 1.00 11.44 H HETATM 237 HC1 PHL A 17 -4.703 25.870 -7.650 1.00 75.25 H HETATM 238 HC2 PHL A 17 -4.329 24.417 -6.719 1.00 35.32 H HETATM 239 HO PHL A 17 -2.438 25.640 -7.176 1.00 63.54 H HETATM 240 HB2 PHL A 17 -5.663 22.344 -7.793 1.00 23.34 H HETATM 241 HB3 PHL A 17 -6.491 23.860 -7.452 1.00 61.55 H HETATM 242 HD1 PHL A 17 -8.483 24.326 -8.515 1.00 54.11 H HETATM 243 HD2 PHL A 17 -5.828 21.481 -10.238 1.00 64.02 H HETATM 244 HE1 PHL A 17 -10.174 23.786 -10.220 1.00 23.55 H HETATM 245 HE2 PHL A 17 -7.513 20.937 -11.946 1.00 31.43 H HETATM 246 HZ PHL A 17 -9.689 22.090 -11.939 1.00 32.24 H TER 247 PHL A 17