HETATM 1 C ACE A 1 1.767 0.902 -2.152 1.00 12.33 C HETATM 2 O ACE A 1 2.003 2.110 -2.121 1.00 12.21 O HETATM 3 CH3 ACE A 1 2.365 -0.029 -1.117 1.00 25.35 C HETATM 4 H1 ACE A 1 2.134 0.335 -0.127 1.00 22.43 H HETATM 5 H2 ACE A 1 3.437 -0.070 -1.244 1.00 42.53 H HETATM 6 H3 ACE A 1 1.952 -1.020 -1.241 1.00 55.02 H ATOM 7 N PHE A 2 0.991 0.340 -3.073 1.00 13.44 N ATOM 8 CA PHE A 2 0.358 1.129 -4.124 1.00 25.31 C ATOM 9 C PHE A 2 -0.640 2.120 -3.534 1.00 51.42 C ATOM 10 O PHE A 2 -0.553 3.324 -3.776 1.00 62.35 O ATOM 11 CB PHE A 2 -0.347 0.211 -5.124 1.00 72.03 C ATOM 12 CG PHE A 2 -0.668 0.881 -6.430 1.00 0.13 C ATOM 13 CD1 PHE A 2 0.332 1.476 -7.182 1.00 72.13 C ATOM 14 CD2 PHE A 2 -1.969 0.917 -6.904 1.00 35.22 C ATOM 15 CE1 PHE A 2 0.040 2.093 -8.384 1.00 41.12 C ATOM 16 CE2 PHE A 2 -2.267 1.532 -8.105 1.00 50.20 C ATOM 17 CZ PHE A 2 -1.261 2.122 -8.846 1.00 13.15 C ATOM 18 H PHE A 2 0.840 -0.628 -3.045 1.00 2.04 H ATOM 19 HA PHE A 2 1.133 1.678 -4.636 1.00 60.15 H ATOM 20 HB2 PHE A 2 0.288 -0.637 -5.334 1.00 54.44 H ATOM 21 HB3 PHE A 2 -1.273 -0.136 -4.692 1.00 33.43 H ATOM 22 HD1 PHE A 2 1.351 1.454 -6.822 1.00 32.01 H ATOM 23 HD2 PHE A 2 -2.757 0.457 -6.325 1.00 73.05 H ATOM 24 HE1 PHE A 2 0.829 2.553 -8.960 1.00 41.34 H ATOM 25 HE2 PHE A 2 -3.285 1.554 -8.463 1.00 74.34 H ATOM 26 HZ PHE A 2 -1.491 2.603 -9.784 1.00 52.24 H HETATM 27 N AIB A 3 -1.589 1.605 -2.759 1.00 41.32 N HETATM 28 CA AIB A 3 -2.605 2.444 -2.135 1.00 42.41 C HETATM 29 C AIB A 3 -1.928 3.569 -1.358 1.00 32.42 C HETATM 30 O AIB A 3 -2.285 4.737 -1.501 1.00 14.54 O HETATM 31 CB1 AIB A 3 -3.445 1.601 -1.182 1.00 10.33 C HETATM 32 CB2 AIB A 3 -3.504 3.041 -3.213 1.00 23.01 C HETATM 33 H AIB A 3 -1.606 0.638 -2.603 1.00 51.24 H HETATM 34 HB11 AIB A 3 -3.510 2.097 -0.224 1.00 65.13 H HETATM 35 HB12 AIB A 3 -2.984 0.633 -1.056 1.00 24.05 H HETATM 36 HB13 AIB A 3 -4.437 1.477 -1.590 1.00 71.22 H HETATM 37 HB21 AIB A 3 -3.725 2.288 -3.955 1.00 20.23 H HETATM 38 HB22 AIB A 3 -2.999 3.872 -3.683 1.00 51.11 H HETATM 39 HB23 AIB A 3 -4.424 3.386 -2.764 1.00 63.42 H HETATM 40 N AIB A 4 -0.949 3.206 -0.535 1.00 53.51 N HETATM 41 CA AIB A 4 -0.223 4.185 0.265 1.00 24.10 C HETATM 42 C AIB A 4 0.495 5.164 -0.658 1.00 11.21 C HETATM 43 O AIB A 4 0.577 6.358 -0.369 1.00 71.34 O HETATM 44 CB1 AIB A 4 0.801 3.467 1.139 1.00 14.52 C HETATM 45 CB2 AIB A 4 -1.203 4.946 1.151 1.00 51.32 C HETATM 46 H AIB A 4 -0.710 2.259 -0.465 1.00 32.14 H HETATM 47 HB11 AIB A 4 1.708 3.309 0.575 1.00 31.12 H HETATM 48 HB12 AIB A 4 0.401 2.515 1.453 1.00 33.43 H HETATM 49 HB13 AIB A 4 1.018 4.071 2.008 1.00 33.23 H HETATM 50 HB21 AIB A 4 -1.884 4.249 1.616 1.00 11.12 H HETATM 51 HB22 AIB A 4 -1.762 5.648 0.549 1.00 22.10 H HETATM 52 HB23 AIB A 4 -0.658 5.481 1.914 1.00 1.23 H HETATM 53 N AIB A 5 1.013 4.651 -1.769 1.00 50.10 N HETATM 54 CA AIB A 5 1.724 5.481 -2.735 1.00 33.45 C HETATM 55 C AIB A 5 0.827 6.635 -3.170 1.00 5.11 C HETATM 56 O AIB A 5 1.308 7.726 -3.476 1.00 64.42 O HETATM 57 CB1 AIB A 5 2.096 4.639 -3.951 1.00 11.31 C HETATM 58 CB2 AIB A 5 2.991 6.035 -2.093 1.00 2.03 C HETATM 59 H AIB A 5 0.915 3.692 -1.943 1.00 71.05 H HETATM 60 HB11 AIB A 5 3.170 4.616 -4.057 1.00 65.41 H HETATM 61 HB12 AIB A 5 1.656 5.073 -4.837 1.00 1.12 H HETATM 62 HB13 AIB A 5 1.725 3.634 -3.820 1.00 72.52 H HETATM 63 HB21 AIB A 5 2.729 6.818 -1.396 1.00 23.40 H HETATM 64 HB22 AIB A 5 3.637 6.437 -2.860 1.00 32.04 H HETATM 65 HB23 AIB A 5 3.505 5.243 -1.568 1.00 41.12 H HETATM 66 N DIV A 6 -0.478 6.387 -3.195 1.00 0.32 N HETATM 67 CA DIV A 6 -1.442 7.406 -3.593 1.00 3.32 C HETATM 68 CB1 DIV A 6 -1.273 7.714 -5.077 1.00 22.30 C HETATM 69 CG1 DIV A 6 -1.207 6.480 -5.951 1.00 5.33 C HETATM 70 CB2 DIV A 6 -2.856 6.896 -3.337 1.00 1.11 C HETATM 71 C DIV A 6 -1.204 8.675 -2.781 1.00 13.13 C HETATM 72 O DIV A 6 -1.413 9.785 -3.269 1.00 33.13 O HETATM 73 H DIV A 6 -0.801 5.498 -2.940 1.00 4.04 H HETATM 74 HB11 DIV A 6 -0.364 8.279 -5.223 1.00 14.41 H HETATM 75 HB12 DIV A 6 -2.101 8.320 -5.412 1.00 53.00 H HETATM 76 HG11 DIV A 6 -0.232 6.024 -5.857 1.00 1.43 H HETATM 77 HG12 DIV A 6 -1.376 6.759 -6.980 1.00 63.03 H HETATM 78 HG13 DIV A 6 -1.965 5.777 -5.639 1.00 5.11 H HETATM 79 HB21 DIV A 6 -3.024 6.818 -2.273 1.00 4.41 H HETATM 80 HB22 DIV A 6 -2.976 5.924 -3.792 1.00 43.23 H HETATM 81 HB23 DIV A 6 -3.570 7.585 -3.765 1.00 22.54 H ATOM 82 N GLY A 7 -0.766 8.503 -1.537 1.00 61.22 N ATOM 83 CA GLY A 7 -0.507 9.643 -0.677 1.00 74.31 C ATOM 84 C GLY A 7 0.417 10.657 -1.321 1.00 20.11 C ATOM 85 O GLY A 7 0.274 11.862 -1.108 1.00 21.33 O ATOM 86 H GLY A 7 -0.617 7.594 -1.201 1.00 41.12 H ATOM 87 HA2 GLY A 7 -1.445 10.123 -0.443 1.00 55.42 H ATOM 88 HA3 GLY A 7 -0.056 9.292 0.239 1.00 3.34 H ATOM 89 N LEU A 8 1.369 10.170 -2.109 1.00 50.44 N ATOM 90 CA LEU A 8 2.323 11.043 -2.786 1.00 14.14 C ATOM 91 C LEU A 8 1.670 11.748 -3.971 1.00 22.13 C ATOM 92 O LEU A 8 2.097 12.829 -4.374 1.00 44.04 O ATOM 93 CB LEU A 8 3.533 10.238 -3.260 1.00 25.20 C ATOM 94 CG LEU A 8 4.272 9.440 -2.185 1.00 3.44 C ATOM 95 CD1 LEU A 8 5.668 9.067 -2.661 1.00 14.41 C ATOM 96 CD2 LEU A 8 4.344 10.233 -0.888 1.00 13.04 C ATOM 97 H LEU A 8 1.433 9.202 -2.241 1.00 20.23 H ATOM 98 HA LEU A 8 2.651 11.788 -2.076 1.00 22.42 H ATOM 99 HB2 LEU A 8 3.194 9.542 -4.012 1.00 51.41 H ATOM 100 HB3 LEU A 8 4.237 10.929 -3.702 1.00 54.15 H ATOM 101 HG LEU A 8 3.731 8.525 -1.989 1.00 22.22 H ATOM 102 HD11 LEU A 8 6.240 8.681 -1.831 1.00 73.43 H ATOM 103 HD12 LEU A 8 6.158 9.943 -3.059 1.00 50.24 H ATOM 104 HD13 LEU A 8 5.595 8.314 -3.432 1.00 22.13 H ATOM 105 HD21 LEU A 8 4.507 11.277 -1.113 1.00 23.44 H ATOM 106 HD22 LEU A 8 5.160 9.863 -0.284 1.00 71.21 H ATOM 107 HD23 LEU A 8 3.416 10.122 -0.347 1.00 11.15 H HETATM 108 N AIB A 9 0.632 11.129 -4.522 1.00 72.53 N HETATM 109 CA AIB A 9 -0.081 11.698 -5.660 1.00 31.53 C HETATM 110 C AIB A 9 -1.087 12.731 -5.164 1.00 3.32 C HETATM 111 O AIB A 9 -1.586 13.547 -5.938 1.00 73.21 O HETATM 112 CB1 AIB A 9 -0.817 10.589 -6.405 1.00 32.14 C HETATM 113 CB2 AIB A 9 0.915 12.368 -6.600 1.00 72.43 C HETATM 114 H AIB A 9 0.338 10.269 -4.156 1.00 22.33 H HETATM 115 HB11 AIB A 9 -1.191 10.972 -7.343 1.00 22.03 H HETATM 116 HB12 AIB A 9 -1.644 10.239 -5.804 1.00 24.22 H HETATM 117 HB13 AIB A 9 -0.138 9.771 -6.595 1.00 33.44 H HETATM 118 HB21 AIB A 9 0.541 12.322 -7.612 1.00 52.15 H HETATM 119 HB22 AIB A 9 1.864 11.855 -6.544 1.00 0.51 H HETATM 120 HB23 AIB A 9 1.045 13.400 -6.311 1.00 30.13 H HETATM 121 N AIB A 10 -1.379 12.691 -3.868 1.00 20.21 N HETATM 122 CA AIB A 10 -2.325 13.624 -3.269 1.00 11.24 C HETATM 123 C AIB A 10 -1.845 15.053 -3.499 1.00 41.13 C HETATM 124 O AIB A 10 -2.564 15.897 -4.036 1.00 23.43 O HETATM 125 CB1 AIB A 10 -2.424 13.357 -1.770 1.00 65.55 C HETATM 126 CB2 AIB A 10 -3.697 13.439 -3.909 1.00 43.12 C HETATM 127 H AIB A 10 -0.948 12.017 -3.302 1.00 11.44 H HETATM 128 HB11 AIB A 10 -1.979 14.178 -1.228 1.00 53.00 H HETATM 129 HB12 AIB A 10 -1.899 12.443 -1.533 1.00 32.21 H HETATM 130 HB13 AIB A 10 -3.462 13.259 -1.490 1.00 1.24 H HETATM 131 HB21 AIB A 10 -3.999 12.406 -3.822 1.00 25.13 H HETATM 132 HB22 AIB A 10 -3.646 13.712 -4.953 1.00 14.30 H HETATM 133 HB23 AIB A 10 -4.417 14.068 -3.407 1.00 5.32 H HETATM 134 N HYP A 11 -0.600 15.334 -3.085 1.00 73.43 N HETATM 135 CA HYP A 11 0.004 16.660 -3.237 1.00 1.52 C HETATM 136 C HYP A 11 -0.027 17.150 -4.681 1.00 0.24 C HETATM 137 O HYP A 11 0.130 18.342 -4.944 1.00 51.00 O HETATM 138 CB HYP A 11 1.448 16.447 -2.776 1.00 0.25 C HETATM 139 CG HYP A 11 1.394 15.237 -1.908 1.00 51.04 C HETATM 140 CD HYP A 11 0.313 14.377 -2.438 1.00 32.12 C HETATM 141 OD1 HYP A 11 1.609 15.579 -0.533 1.00 74.24 O HETATM 142 HA HYP A 11 -0.475 17.390 -2.600 1.00 60.21 H HETATM 143 HB2 HYP A 11 2.084 16.290 -3.636 1.00 32.05 H HETATM 144 HB3 HYP A 11 1.785 17.312 -2.225 1.00 4.41 H HETATM 145 HG HYP A 11 2.141 14.530 -2.237 1.00 70.21 H HETATM 146 HD22 HYP A 11 0.573 13.575 -3.113 1.00 34.35 H HETATM 147 HD23 HYP A 11 -0.122 13.984 -1.531 1.00 21.43 H HETATM 148 HD1 HYP A 11 0.799 15.937 -0.162 1.00 61.10 H ATOM 149 N GLN A 12 -0.231 16.223 -5.611 1.00 3.11 N ATOM 150 CA GLN A 12 -0.282 16.562 -7.028 1.00 40.01 C ATOM 151 C GLN A 12 -1.700 16.933 -7.448 1.00 75.21 C ATOM 152 O GLN A 12 -1.909 17.537 -8.500 1.00 21.40 O ATOM 153 CB GLN A 12 0.223 15.391 -7.873 1.00 1.02 C ATOM 154 CG GLN A 12 1.739 15.277 -7.910 1.00 75.02 C ATOM 155 CD GLN A 12 2.381 16.329 -8.792 1.00 64.14 C ATOM 156 OE1 GLN A 12 2.362 16.223 -10.019 1.00 65.11 O ATOM 157 NE2 GLN A 12 2.955 17.353 -8.171 1.00 61.33 N ATOM 158 H GLN A 12 -0.349 15.290 -5.338 1.00 23.11 H ATOM 159 HA GLN A 12 0.362 17.414 -7.189 1.00 34.44 H ATOM 160 HB2 GLN A 12 -0.176 14.473 -7.469 1.00 21.32 H ATOM 161 HB3 GLN A 12 -0.132 15.514 -8.885 1.00 62.24 H ATOM 162 HG2 GLN A 12 2.120 15.390 -6.906 1.00 63.43 H ATOM 163 HG3 GLN A 12 2.004 14.300 -8.287 1.00 53.34 H ATOM 164 HE21 GLN A 12 2.933 17.370 -7.191 1.00 54.41 H ATOM 165 HE22 GLN A 12 3.379 18.047 -8.717 1.00 32.42 H HETATM 166 N DIV A 13 -2.673 16.567 -6.619 1.00 65.21 N HETATM 167 CA DIV A 13 -4.072 16.861 -6.905 1.00 64.30 C HETATM 168 CB1 DIV A 13 -4.461 16.231 -8.238 1.00 72.12 C HETATM 169 CG1 DIV A 13 -3.690 14.971 -8.565 1.00 42.12 C HETATM 170 CB2 DIV A 13 -4.948 16.288 -5.797 1.00 33.45 C HETATM 171 C DIV A 13 -4.269 18.371 -6.979 1.00 42.15 C HETATM 172 O DIV A 13 -4.835 18.902 -7.935 1.00 60.55 O HETATM 173 H DIV A 13 -2.443 16.088 -5.796 1.00 33.23 H HETATM 174 HB11 DIV A 13 -4.294 16.944 -9.032 1.00 11.01 H HETATM 175 HB12 DIV A 13 -5.513 15.988 -8.224 1.00 33.32 H HETATM 176 HG11 DIV A 13 -4.239 14.391 -9.292 1.00 41.23 H HETATM 177 HG12 DIV A 13 -3.556 14.388 -7.666 1.00 62.54 H HETATM 178 HG13 DIV A 13 -2.724 15.235 -8.970 1.00 52.13 H HETATM 179 HB21 DIV A 13 -4.398 15.530 -5.258 1.00 12.33 H HETATM 180 HB22 DIV A 13 -5.835 15.849 -6.230 1.00 31.15 H HETATM 181 HB23 DIV A 13 -5.232 17.078 -5.117 1.00 75.14 H HETATM 182 N HYP A 14 -3.791 19.082 -5.947 1.00 52.23 N HETATM 183 CA HYP A 14 -3.903 20.542 -5.873 1.00 22.14 C HETATM 184 C HYP A 14 -2.796 21.248 -6.648 1.00 2.32 C HETATM 185 O HYP A 14 -2.784 22.474 -6.753 1.00 2.32 O HETATM 186 CB HYP A 14 -3.775 20.831 -4.375 1.00 12.31 C HETATM 187 CG HYP A 14 -3.041 19.658 -3.824 1.00 4.23 C HETATM 188 CD HYP A 14 -3.105 18.516 -4.774 1.00 31.11 C HETATM 189 OD1 HYP A 14 -3.560 19.281 -2.543 1.00 33.14 O HETATM 190 HA HYP A 14 -4.864 20.885 -6.227 1.00 21.03 H HETATM 191 HB2 HYP A 14 -3.223 21.749 -4.229 1.00 24.22 H HETATM 192 HB3 HYP A 14 -4.758 20.923 -3.937 1.00 62.32 H HETATM 193 HG HYP A 14 -1.991 19.901 -3.743 1.00 14.12 H HETATM 194 HD22 HYP A 14 -2.129 18.139 -5.042 1.00 74.14 H HETATM 195 HD23 HYP A 14 -3.700 17.738 -4.318 1.00 70.15 H HETATM 196 HD1 HYP A 14 -3.548 20.040 -1.956 1.00 12.34 H HETATM 197 N AIB A 15 -1.867 20.467 -7.189 1.00 75.45 N HETATM 198 CA AIB A 15 -0.756 21.018 -7.956 1.00 15.04 C HETATM 199 C AIB A 15 -1.300 21.884 -9.087 1.00 63.14 C HETATM 200 O AIB A 15 -0.973 23.065 -9.210 1.00 63.54 O HETATM 201 CB1 AIB A 15 0.073 19.879 -8.540 1.00 11.31 C HETATM 202 CB2 AIB A 15 0.120 21.868 -7.041 1.00 74.41 C HETATM 203 H AIB A 15 -1.931 19.496 -7.071 1.00 14.10 H HETATM 204 HB11 AIB A 15 -0.273 18.939 -8.137 1.00 61.32 H HETATM 205 HB12 AIB A 15 1.112 20.021 -8.282 1.00 11.44 H HETATM 206 HB13 AIB A 15 -0.033 19.871 -9.615 1.00 11.53 H HETATM 207 HB21 AIB A 15 0.827 21.233 -6.529 1.00 21.45 H HETATM 208 HB22 AIB A 15 -0.501 22.374 -6.316 1.00 60.42 H HETATM 209 HB23 AIB A 15 0.653 22.598 -7.631 1.00 1.43 H ATOM 210 N PRO A 16 -2.150 21.286 -9.935 1.00 65.52 N ATOM 211 CA PRO A 16 -2.757 21.984 -11.072 1.00 3.11 C ATOM 212 C PRO A 16 -3.299 23.356 -10.687 1.00 10.23 C ATOM 213 O PRO A 16 -3.306 24.282 -11.498 1.00 51.20 O ATOM 214 CB PRO A 16 -3.900 21.055 -11.490 1.00 4.44 C ATOM 215 CG PRO A 16 -3.478 19.704 -11.026 1.00 60.21 C ATOM 216 CD PRO A 16 -2.584 19.881 -9.849 1.00 4.11 C ATOM 217 HA PRO A 16 -2.060 22.091 -11.890 1.00 62.43 H ATOM 218 HB2 PRO A 16 -4.816 21.370 -11.010 1.00 40.25 H ATOM 219 HB3 PRO A 16 -4.019 21.085 -12.562 1.00 41.22 H ATOM 220 HG2 PRO A 16 -4.344 19.129 -10.735 1.00 23.22 H ATOM 221 HG3 PRO A 16 -2.938 19.198 -11.813 1.00 5.42 H ATOM 222 HD2 PRO A 16 -3.083 19.689 -8.911 1.00 24.52 H ATOM 223 HD3 PRO A 16 -1.746 19.211 -9.978 1.00 33.04 H HETATM 224 N PHL A 17 -3.752 23.480 -9.444 1.00 14.43 N HETATM 225 CA PHL A 17 -4.297 24.740 -8.951 1.00 13.10 C HETATM 226 C PHL A 17 -3.318 25.422 -8.000 1.00 63.40 C HETATM 227 O PHL A 17 -1.985 25.391 -8.525 1.00 63.00 O HETATM 228 CB PHL A 17 -5.631 24.500 -8.241 1.00 54.22 C HETATM 229 CG PHL A 17 -6.779 24.275 -9.183 1.00 75.40 C HETATM 230 CD1 PHL A 17 -7.137 25.244 -10.106 1.00 4.41 C HETATM 231 CD2 PHL A 17 -7.502 23.093 -9.145 1.00 61.11 C HETATM 232 CE1 PHL A 17 -8.192 25.040 -10.974 1.00 73.13 C HETATM 233 CE2 PHL A 17 -8.558 22.883 -10.011 1.00 72.42 C HETATM 234 CZ PHL A 17 -8.905 23.858 -10.926 1.00 63.30 C HETATM 235 H PHL A 17 -3.720 22.706 -8.843 1.00 72.25 H HETATM 236 HA PHL A 17 -4.462 25.384 -9.801 1.00 72.10 H HETATM 237 HC1 PHL A 17 -3.614 26.451 -7.862 1.00 5.13 H HETATM 238 HC2 PHL A 17 -3.329 24.909 -7.050 1.00 30.34 H HETATM 239 HO PHL A 17 -1.356 25.348 -7.801 1.00 0.22 H HETATM 240 HB2 PHL A 17 -5.544 23.628 -7.611 1.00 0.22 H HETATM 241 HB3 PHL A 17 -5.865 25.359 -7.630 1.00 53.14 H HETATM 242 HD1 PHL A 17 -6.580 26.170 -10.144 1.00 43.32 H HETATM 243 HD2 PHL A 17 -7.233 22.330 -8.430 1.00 31.25 H HETATM 244 HE1 PHL A 17 -8.460 25.805 -11.688 1.00 73.42 H HETATM 245 HE2 PHL A 17 -9.114 21.958 -9.971 1.00 62.43 H HETATM 246 HZ PHL A 17 -9.729 23.696 -11.604 1.00 33.41 H TER 247 PHL A 17