HETATM 1 C ACE A 1 1.486 0.919 -2.235 1.00 2.33 C HETATM 2 O ACE A 1 1.764 2.118 -2.203 1.00 10.32 O HETATM 3 CH3 ACE A 1 2.067 -0.037 -1.212 1.00 2.42 C HETATM 4 H1 ACE A 1 2.820 0.472 -0.629 1.00 11.42 H HETATM 5 H2 ACE A 1 2.513 -0.880 -1.718 1.00 41.14 H HETATM 6 H3 ACE A 1 1.281 -0.386 -0.557 1.00 52.35 H ATOM 7 N PHE A 2 0.678 0.388 -3.146 1.00 42.34 N ATOM 8 CA PHE A 2 0.058 1.202 -4.186 1.00 5.34 C ATOM 9 C PHE A 2 -0.897 2.225 -3.578 1.00 10.01 C ATOM 10 O PHE A 2 -0.772 3.426 -3.817 1.00 20.31 O ATOM 11 CB PHE A 2 -0.692 0.314 -5.179 1.00 75.53 C ATOM 12 CG PHE A 2 -1.010 1.000 -6.477 1.00 4.31 C ATOM 13 CD1 PHE A 2 -2.087 1.867 -6.572 1.00 62.42 C ATOM 14 CD2 PHE A 2 -0.230 0.780 -7.601 1.00 74.01 C ATOM 15 CE1 PHE A 2 -2.381 2.499 -7.765 1.00 52.13 C ATOM 16 CE2 PHE A 2 -0.520 1.410 -8.797 1.00 3.01 C ATOM 17 CZ PHE A 2 -1.596 2.272 -8.879 1.00 20.54 C ATOM 18 H PHE A 2 0.495 -0.574 -3.120 1.00 71.50 H ATOM 19 HA PHE A 2 0.844 1.727 -4.707 1.00 61.22 H ATOM 20 HB2 PHE A 2 -0.090 -0.554 -5.402 1.00 43.13 H ATOM 21 HB3 PHE A 2 -1.623 -0.005 -4.734 1.00 52.54 H ATOM 22 HD1 PHE A 2 -2.701 2.047 -5.702 1.00 71.52 H ATOM 23 HD2 PHE A 2 0.613 0.106 -7.538 1.00 74.00 H ATOM 24 HE1 PHE A 2 -3.223 3.172 -7.827 1.00 11.55 H ATOM 25 HE2 PHE A 2 0.096 1.230 -9.665 1.00 65.33 H ATOM 26 HZ PHE A 2 -1.824 2.764 -9.812 1.00 12.21 H HETATM 27 N AIB A 3 -1.852 1.739 -2.791 1.00 42.42 N HETATM 28 CA AIB A 3 -2.829 2.610 -2.149 1.00 53.14 C HETATM 29 C AIB A 3 -2.104 3.707 -1.378 1.00 4.13 C HETATM 30 O AIB A 3 -2.422 4.888 -1.511 1.00 15.20 O HETATM 31 CB1 AIB A 3 -3.684 1.792 -1.187 1.00 54.23 C HETATM 32 CB2 AIB A 3 -3.723 3.242 -3.212 1.00 25.20 C HETATM 33 H AIB A 3 -1.900 0.773 -2.639 1.00 21.21 H HETATM 34 HB11 AIB A 3 -3.506 0.740 -1.353 1.00 74.11 H HETATM 35 HB12 AIB A 3 -4.728 2.012 -1.357 1.00 40.03 H HETATM 36 HB13 AIB A 3 -3.424 2.045 -0.170 1.00 52.41 H HETATM 37 HB21 AIB A 3 -3.163 3.989 -3.755 1.00 63.33 H HETATM 38 HB22 AIB A 3 -4.575 3.705 -2.737 1.00 4.20 H HETATM 39 HB23 AIB A 3 -4.063 2.479 -3.896 1.00 62.42 H HETATM 40 N AIB A 4 -1.126 3.308 -0.570 1.00 51.24 N HETATM 41 CA AIB A 4 -0.355 4.258 0.223 1.00 70.31 C HETATM 42 C AIB A 4 0.382 5.216 -0.707 1.00 24.24 C HETATM 43 O AIB A 4 0.509 6.405 -0.415 1.00 22.41 O HETATM 44 CB1 AIB A 4 0.655 3.502 1.080 1.00 63.15 C HETATM 45 CB2 AIB A 4 -1.296 5.048 1.125 1.00 12.55 C HETATM 46 H AIB A 4 -0.919 2.353 -0.507 1.00 22.30 H HETATM 47 HB11 AIB A 4 0.911 4.097 1.944 1.00 45.25 H HETATM 48 HB12 AIB A 4 1.545 3.308 0.499 1.00 23.34 H HETATM 49 HB13 AIB A 4 0.225 2.566 1.402 1.00 34.44 H HETATM 50 HB21 AIB A 4 -1.992 4.373 1.600 1.00 31.42 H HETATM 51 HB22 AIB A 4 -1.841 5.769 0.534 1.00 50.40 H HETATM 52 HB23 AIB A 4 -0.722 5.563 1.881 1.00 2.44 H HETATM 53 N AIB A 5 0.867 4.690 -1.827 1.00 20.02 N HETATM 54 CA AIB A 5 1.592 5.499 -2.799 1.00 60.23 C HETATM 55 C AIB A 5 0.730 6.685 -3.217 1.00 51.32 C HETATM 56 O AIB A 5 1.244 7.760 -3.526 1.00 54.11 O HETATM 57 CB1 AIB A 5 1.918 4.651 -4.024 1.00 73.41 C HETATM 58 CB2 AIB A 5 2.887 6.007 -2.174 1.00 32.43 C HETATM 59 H AIB A 5 0.734 3.736 -2.003 1.00 72.54 H HETATM 60 HB11 AIB A 5 1.481 5.103 -4.902 1.00 35.01 H HETATM 61 HB12 AIB A 5 1.514 3.658 -3.892 1.00 21.41 H HETATM 62 HB13 AIB A 5 2.989 4.590 -4.146 1.00 2.42 H HETATM 63 HB21 AIB A 5 3.363 5.204 -1.630 1.00 13.14 H HETATM 64 HB22 AIB A 5 2.665 6.819 -1.497 1.00 24.31 H HETATM 65 HB23 AIB A 5 3.549 6.357 -2.951 1.00 63.35 H HETATM 66 N DIV A 6 -0.584 6.482 -3.224 1.00 45.54 N HETATM 67 CA DIV A 6 -1.517 7.536 -3.605 1.00 32.25 C HETATM 68 CB1 DIV A 6 -1.359 7.844 -5.090 1.00 30.42 C HETATM 69 CG1 DIV A 6 -1.347 6.612 -5.969 1.00 55.52 C HETATM 70 CB2 DIV A 6 -2.944 7.073 -3.330 1.00 53.34 C HETATM 71 C DIV A 6 -1.225 8.792 -2.791 1.00 42.10 C HETATM 72 O DIV A 6 -1.402 9.910 -3.272 1.00 14.52 O HETATM 73 H DIV A 6 -0.933 5.604 -2.968 1.00 62.31 H HETATM 74 HB11 DIV A 6 -0.434 8.378 -5.247 1.00 1.54 H HETATM 75 HB12 DIV A 6 -2.171 8.479 -5.411 1.00 1.44 H HETATM 76 HG11 DIV A 6 -2.186 5.981 -5.715 1.00 23.51 H HETATM 77 HG12 DIV A 6 -0.427 6.069 -5.815 1.00 71.23 H HETATM 78 HG13 DIV A 6 -1.422 6.909 -7.005 1.00 5.11 H HETATM 79 HB21 DIV A 6 -3.631 7.646 -3.936 1.00 60.13 H HETATM 80 HB22 DIV A 6 -3.176 7.221 -2.286 1.00 12.10 H HETATM 81 HB23 DIV A 6 -3.036 6.025 -3.575 1.00 13.33 H ATOM 82 N GLY A 7 -0.775 8.599 -1.555 1.00 0.43 N ATOM 83 CA GLY A 7 -0.465 9.726 -0.694 1.00 32.01 C ATOM 84 C GLY A 7 0.484 10.711 -1.347 1.00 24.41 C ATOM 85 O GLY A 7 0.386 11.919 -1.127 1.00 22.41 O ATOM 86 H GLY A 7 -0.653 7.685 -1.224 1.00 65.44 H ATOM 87 HA2 GLY A 7 -1.383 10.238 -0.445 1.00 22.31 H ATOM 88 HA3 GLY A 7 -0.013 9.356 0.215 1.00 41.33 H ATOM 89 N LEU A 8 1.408 10.195 -2.151 1.00 54.11 N ATOM 90 CA LEU A 8 2.381 11.037 -2.838 1.00 11.55 C ATOM 91 C LEU A 8 1.737 11.769 -4.010 1.00 55.44 C ATOM 92 O LEU A 8 2.195 12.837 -4.416 1.00 31.00 O ATOM 93 CB LEU A 8 3.557 10.193 -3.332 1.00 55.03 C ATOM 94 CG LEU A 8 4.283 9.366 -2.271 1.00 11.33 C ATOM 95 CD1 LEU A 8 5.658 8.948 -2.768 1.00 75.44 C ATOM 96 CD2 LEU A 8 4.400 10.151 -0.972 1.00 31.51 C ATOM 97 H LEU A 8 1.436 9.225 -2.287 1.00 42.52 H ATOM 98 HA LEU A 8 2.745 11.767 -2.130 1.00 0.23 H ATOM 99 HB2 LEU A 8 3.183 9.513 -4.082 1.00 34.10 H ATOM 100 HB3 LEU A 8 4.277 10.862 -3.782 1.00 74.33 H ATOM 101 HG LEU A 8 3.713 8.469 -2.070 1.00 65.05 H ATOM 102 HD11 LEU A 8 5.549 8.200 -3.539 1.00 31.50 H ATOM 103 HD12 LEU A 8 6.228 8.539 -1.948 1.00 23.13 H ATOM 104 HD13 LEU A 8 6.172 9.808 -3.171 1.00 10.01 H ATOM 105 HD21 LEU A 8 5.194 9.733 -0.371 1.00 3.55 H ATOM 106 HD22 LEU A 8 3.468 10.089 -0.429 1.00 53.11 H ATOM 107 HD23 LEU A 8 4.621 11.184 -1.194 1.00 74.10 H HETATM 108 N AIB A 9 0.670 11.188 -4.550 1.00 13.55 N HETATM 109 CA AIB A 9 -0.039 11.787 -5.674 1.00 73.43 C HETATM 110 C AIB A 9 -1.001 12.852 -5.160 1.00 54.31 C HETATM 111 O AIB A 9 -1.484 13.688 -5.924 1.00 63.42 O HETATM 112 CB1 AIB A 9 -0.824 10.707 -6.413 1.00 3.22 C HETATM 113 CB2 AIB A 9 0.966 12.426 -6.627 1.00 33.13 C HETATM 114 H AIB A 9 0.352 10.338 -4.182 1.00 71.41 H HETATM 115 HB11 AIB A 9 -0.173 9.872 -6.627 1.00 11.03 H HETATM 116 HB12 AIB A 9 -1.208 11.111 -7.338 1.00 63.31 H HETATM 117 HB13 AIB A 9 -1.646 10.374 -5.796 1.00 41.45 H HETATM 118 HB21 AIB A 9 0.576 12.398 -7.633 1.00 52.05 H HETATM 119 HB22 AIB A 9 1.897 11.881 -6.586 1.00 63.22 H HETATM 120 HB23 AIB A 9 1.136 13.452 -6.335 1.00 30.32 H HETATM 121 N AIB A 10 -1.276 12.817 -3.860 1.00 60.33 N HETATM 122 CA AIB A 10 -2.181 13.780 -3.244 1.00 23.40 C HETATM 123 C AIB A 10 -1.654 15.192 -3.476 1.00 13.03 C HETATM 124 O AIB A 10 -2.351 16.062 -3.999 1.00 3.45 O HETATM 125 CB1 AIB A 10 -2.267 13.509 -1.746 1.00 33.23 C HETATM 126 CB2 AIB A 10 -3.567 13.645 -3.866 1.00 3.21 C HETATM 127 H AIB A 10 -0.860 12.127 -3.303 1.00 33.42 H HETATM 128 HB11 AIB A 10 -3.304 13.446 -1.451 1.00 33.15 H HETATM 129 HB12 AIB A 10 -1.788 14.312 -1.206 1.00 45.13 H HETATM 130 HB13 AIB A 10 -1.771 12.576 -1.519 1.00 54.50 H HETATM 131 HB21 AIB A 10 -3.902 12.622 -3.780 1.00 11.21 H HETATM 132 HB22 AIB A 10 -3.522 13.923 -4.909 1.00 21.04 H HETATM 133 HB23 AIB A 10 -4.257 14.295 -3.350 1.00 15.25 H HETATM 134 N HYP A 11 -0.395 15.427 -3.078 1.00 51.40 N HETATM 135 CA HYP A 11 0.253 16.733 -3.233 1.00 11.13 C HETATM 136 C HYP A 11 0.218 17.230 -4.674 1.00 4.32 C HETATM 137 O HYP A 11 0.412 18.417 -4.935 1.00 12.35 O HETATM 138 CB HYP A 11 1.695 16.468 -2.793 1.00 71.30 C HETATM 139 CG HYP A 11 1.611 15.256 -1.930 1.00 51.30 C HETATM 140 CD HYP A 11 0.493 14.437 -2.447 1.00 61.32 C HETATM 141 OD1 HYP A 11 1.882 15.580 -0.561 1.00 31.24 O HETATM 142 HA HYP A 11 -0.191 17.476 -2.586 1.00 75.32 H HETATM 143 HB2 HYP A 11 2.313 16.292 -3.663 1.00 14.43 H HETATM 144 HB3 HYP A 11 2.070 17.318 -2.244 1.00 11.22 H HETATM 145 HG HYP A 11 2.315 14.517 -2.284 1.00 54.51 H HETATM 146 HD22 HYP A 11 0.715 13.629 -3.129 1.00 23.24 H HETATM 147 HD23 HYP A 11 0.058 14.055 -1.536 1.00 33.25 H HETATM 148 HD1 HYP A 11 2.604 15.035 -0.240 1.00 5.44 H ATOM 149 N GLN A 12 -0.029 16.315 -5.605 1.00 74.10 N ATOM 150 CA GLN A 12 -0.089 16.662 -7.020 1.00 22.10 C ATOM 151 C GLN A 12 -1.499 17.086 -7.418 1.00 22.51 C ATOM 152 O GLN A 12 -1.700 17.702 -8.463 1.00 52.54 O ATOM 153 CB GLN A 12 0.361 15.477 -7.877 1.00 5.34 C ATOM 154 CG GLN A 12 1.871 15.310 -7.938 1.00 21.21 C ATOM 155 CD GLN A 12 2.569 16.518 -8.531 1.00 12.01 C ATOM 156 OE1 GLN A 12 2.541 16.732 -9.743 1.00 44.22 O ATOM 157 NE2 GLN A 12 3.199 17.316 -7.677 1.00 44.12 N ATOM 158 H GLN A 12 -0.175 15.385 -5.334 1.00 71.04 H ATOM 159 HA GLN A 12 0.583 17.490 -7.186 1.00 52.44 H ATOM 160 HB2 GLN A 12 -0.064 14.572 -7.470 1.00 23.01 H ATOM 161 HB3 GLN A 12 -0.004 15.617 -8.883 1.00 73.22 H ATOM 162 HG2 GLN A 12 2.244 15.154 -6.936 1.00 43.05 H ATOM 163 HG3 GLN A 12 2.100 14.446 -8.545 1.00 10.15 H ATOM 164 HE21 GLN A 12 3.180 17.082 -6.725 1.00 41.21 H ATOM 165 HE22 GLN A 12 3.659 18.104 -8.033 1.00 63.42 H HETATM 166 N DIV A 13 -2.472 16.750 -6.577 1.00 63.51 N HETATM 167 CA DIV A 13 -3.863 17.095 -6.842 1.00 32.14 C HETATM 168 CB1 DIV A 13 -4.293 16.489 -8.174 1.00 2.43 C HETATM 169 CG1 DIV A 13 -3.571 15.206 -8.521 1.00 22.14 C HETATM 170 CB2 DIV A 13 -4.745 16.544 -5.725 1.00 44.53 C HETATM 171 C DIV A 13 -4.008 18.612 -6.902 1.00 62.23 C HETATM 172 O DIV A 13 -4.565 19.169 -7.848 1.00 41.41 O HETATM 173 H DIV A 13 -2.248 16.258 -5.760 1.00 33.24 H HETATM 174 HB11 DIV A 13 -4.112 17.202 -8.964 1.00 45.44 H HETATM 175 HB12 DIV A 13 -5.353 16.283 -8.146 1.00 44.35 H HETATM 176 HG11 DIV A 13 -2.603 15.439 -8.940 1.00 13.10 H HETATM 177 HG12 DIV A 13 -4.151 14.650 -9.242 1.00 13.00 H HETATM 178 HG13 DIV A 13 -3.443 14.612 -7.628 1.00 5.45 H HETATM 179 HB21 DIV A 13 -4.996 17.340 -5.039 1.00 44.13 H HETATM 180 HB22 DIV A 13 -4.212 15.768 -5.196 1.00 74.44 H HETATM 181 HB23 DIV A 13 -5.650 16.136 -6.150 1.00 22.14 H HETATM 182 N HYP A 14 -3.495 19.297 -5.870 1.00 2.31 N HETATM 183 CA HYP A 14 -3.554 20.759 -5.783 1.00 10.41 C HETATM 184 C HYP A 14 -2.440 21.433 -6.576 1.00 45.03 C HETATM 185 O HYP A 14 -2.390 22.658 -6.677 1.00 2.52 O HETATM 186 CB HYP A 14 -3.385 21.033 -4.286 1.00 74.22 C HETATM 187 CG HYP A 14 -2.677 19.833 -3.759 1.00 44.05 C HETATM 188 CD HYP A 14 -2.817 18.698 -4.708 1.00 62.12 C HETATM 189 OD1 HYP A 14 -3.049 19.570 -2.401 1.00 74.10 O HETATM 190 HA HYP A 14 -4.510 21.138 -6.114 1.00 42.23 H HETATM 191 HB2 HYP A 14 -2.801 21.931 -4.145 1.00 52.45 H HETATM 192 HB3 HYP A 14 -4.355 21.152 -3.827 1.00 31.42 H HETATM 193 HG HYP A 14 -1.610 19.990 -3.829 1.00 14.30 H HETATM 194 HD22 HYP A 14 -1.861 18.282 -4.992 1.00 12.25 H HETATM 195 HD23 HYP A 14 -3.437 17.943 -4.248 1.00 32.01 H HETATM 196 HD1 HYP A 14 -2.309 19.765 -1.822 1.00 11.40 H HETATM 197 N AIB A 15 -1.547 20.624 -7.138 1.00 55.14 N HETATM 198 CA AIB A 15 -0.434 21.143 -7.923 1.00 62.45 C HETATM 199 C AIB A 15 -0.970 22.029 -9.042 1.00 41.43 C HETATM 200 O AIB A 15 -0.614 23.202 -9.163 1.00 21.20 O HETATM 201 CB1 AIB A 15 0.348 19.980 -8.527 1.00 12.15 C HETATM 202 CB2 AIB A 15 0.486 21.961 -7.023 1.00 32.52 C HETATM 203 H AIB A 15 -1.641 19.656 -7.022 1.00 64.44 H HETATM 204 HB11 AIB A 15 -0.017 19.050 -8.116 1.00 63.13 H HETATM 205 HB12 AIB A 15 1.396 20.091 -8.292 1.00 22.14 H HETATM 206 HB13 AIB A 15 0.218 19.976 -9.599 1.00 14.43 H HETATM 207 HB21 AIB A 15 -0.086 22.735 -6.532 1.00 61.45 H HETATM 208 HB22 AIB A 15 1.265 22.412 -7.619 1.00 24.42 H HETATM 209 HB23 AIB A 15 0.929 21.315 -6.279 1.00 61.44 H ATOM 210 N PRO A 16 -1.847 21.459 -9.881 1.00 70.24 N ATOM 211 CA PRO A 16 -2.452 22.180 -11.005 1.00 44.13 C ATOM 212 C PRO A 16 -3.516 23.173 -10.551 1.00 41.35 C ATOM 213 O PRO A 16 -3.993 23.991 -11.339 1.00 63.32 O ATOM 214 CB PRO A 16 -3.083 21.066 -11.844 1.00 21.44 C ATOM 215 CG PRO A 16 -3.349 19.967 -10.874 1.00 33.34 C ATOM 216 CD PRO A 16 -2.317 20.066 -9.797 1.00 65.43 C ATOM 217 HA PRO A 16 -1.706 22.696 -11.592 1.00 52.25 H ATOM 218 HB2 PRO A 16 -3.997 21.425 -12.295 1.00 43.33 H ATOM 219 HB3 PRO A 16 -2.393 20.754 -12.613 1.00 43.00 H ATOM 220 HG2 PRO A 16 -4.333 20.085 -10.446 1.00 73.21 H ATOM 221 HG3 PRO A 16 -3.267 19.011 -11.370 1.00 44.23 H ATOM 222 HD2 PRO A 16 -2.773 19.870 -8.838 1.00 73.25 H ATOM 223 HD3 PRO A 16 -1.506 19.375 -9.980 1.00 35.15 H HETATM 224 N PHL A 17 -3.884 23.098 -9.277 1.00 32.41 N HETATM 225 CA PHL A 17 -4.893 23.990 -8.718 1.00 51.13 C HETATM 226 C PHL A 17 -4.327 24.785 -7.545 1.00 63.04 C HETATM 227 O PHL A 17 -5.039 26.015 -7.365 1.00 13.11 O HETATM 228 CB PHL A 17 -6.116 23.191 -8.264 1.00 53.02 C HETATM 229 CG PHL A 17 -7.129 22.974 -9.352 1.00 43.44 C HETATM 230 CD1 PHL A 17 -7.528 21.694 -9.701 1.00 4.21 C HETATM 231 CD2 PHL A 17 -7.681 24.051 -10.027 1.00 50.22 C HETATM 232 CE1 PHL A 17 -8.459 21.491 -10.702 1.00 13.34 C HETATM 233 CE2 PHL A 17 -8.613 23.855 -11.028 1.00 73.43 C HETATM 234 CZ PHL A 17 -9.002 22.573 -11.367 1.00 10.12 C HETATM 235 H PHL A 17 -3.468 22.425 -8.698 1.00 62.42 H HETATM 236 HA PHL A 17 -5.191 24.679 -9.494 1.00 31.42 H HETATM 237 HC1 PHL A 17 -4.412 24.198 -6.643 1.00 32.20 H HETATM 238 HC2 PHL A 17 -3.288 25.010 -7.736 1.00 63.23 H HETATM 239 HO PHL A 17 -5.065 26.237 -6.431 1.00 63.42 H HETATM 240 HB2 PHL A 17 -5.795 22.222 -7.914 1.00 25.04 H HETATM 241 HB3 PHL A 17 -6.602 23.718 -7.457 1.00 52.32 H HETATM 242 HD1 PHL A 17 -7.103 20.847 -9.181 1.00 30.31 H HETATM 243 HD2 PHL A 17 -7.377 25.054 -9.764 1.00 74.15 H HETATM 244 HE1 PHL A 17 -8.761 20.488 -10.964 1.00 23.15 H HETATM 245 HE2 PHL A 17 -9.036 24.702 -11.547 1.00 50.01 H HETATM 246 HZ PHL A 17 -9.730 22.417 -12.148 1.00 74.14 H TER 247 PHL A 17