HETATM 1 C ACE A 1 1.516 0.950 -2.235 1.00 43.44 C HETATM 2 O ACE A 1 1.793 2.150 -2.208 1.00 22.23 O HETATM 3 CH3 ACE A 1 2.108 -0.003 -1.217 1.00 20.53 C HETATM 4 H1 ACE A 1 1.411 -0.806 -1.026 1.00 43.12 H HETATM 5 H2 ACE A 1 2.306 0.528 -0.297 1.00 70.34 H HETATM 6 H3 ACE A 1 3.032 -0.413 -1.601 1.00 13.02 H ATOM 7 N PHE A 2 0.700 0.417 -3.139 1.00 2.44 N ATOM 8 CA PHE A 2 0.070 1.229 -4.173 1.00 12.40 C ATOM 9 C PHE A 2 -0.881 2.252 -3.558 1.00 3.25 C ATOM 10 O PHE A 2 -0.759 3.453 -3.799 1.00 61.43 O ATOM 11 CB PHE A 2 -0.690 0.339 -5.158 1.00 61.51 C ATOM 12 CG PHE A 2 -1.010 1.020 -6.458 1.00 33.51 C ATOM 13 CD1 PHE A 2 -0.089 1.034 -7.493 1.00 74.21 C ATOM 14 CD2 PHE A 2 -2.232 1.645 -6.645 1.00 35.22 C ATOM 15 CE1 PHE A 2 -0.382 1.660 -8.690 1.00 5.52 C ATOM 16 CE2 PHE A 2 -2.530 2.273 -7.840 1.00 34.34 C ATOM 17 CZ PHE A 2 -1.604 2.280 -8.864 1.00 21.43 C ATOM 18 H PHE A 2 0.518 -0.546 -3.109 1.00 42.51 H ATOM 19 HA PHE A 2 0.850 1.754 -4.703 1.00 31.22 H ATOM 20 HB2 PHE A 2 -0.092 -0.533 -5.379 1.00 51.22 H ATOM 21 HB3 PHE A 2 -1.620 0.027 -4.707 1.00 1.11 H ATOM 22 HD1 PHE A 2 0.867 0.549 -7.359 1.00 55.21 H ATOM 23 HD2 PHE A 2 -2.959 1.640 -5.844 1.00 25.32 H ATOM 24 HE1 PHE A 2 0.344 1.664 -9.489 1.00 44.21 H ATOM 25 HE2 PHE A 2 -3.487 2.756 -7.972 1.00 32.31 H ATOM 26 HZ PHE A 2 -1.834 2.770 -9.798 1.00 13.14 H HETATM 27 N AIB A 3 -1.828 1.767 -2.761 1.00 65.12 N HETATM 28 CA AIB A 3 -2.800 2.638 -2.111 1.00 64.33 C HETATM 29 C AIB A 3 -2.067 3.736 -1.348 1.00 54.51 C HETATM 30 O AIB A 3 -2.389 4.917 -1.480 1.00 44.11 O HETATM 31 CB1 AIB A 3 -3.645 1.820 -1.140 1.00 4.42 C HETATM 32 CB2 AIB A 3 -3.703 3.267 -3.166 1.00 55.01 C HETATM 33 H AIB A 3 -1.873 0.800 -2.607 1.00 54.41 H HETATM 34 HB11 AIB A 3 -4.048 0.959 -1.651 1.00 31.45 H HETATM 35 HB12 AIB A 3 -4.454 2.430 -0.767 1.00 35.34 H HETATM 36 HB13 AIB A 3 -3.030 1.494 -0.314 1.00 45.20 H HETATM 37 HB21 AIB A 3 -3.143 3.996 -3.732 1.00 64.25 H HETATM 38 HB22 AIB A 3 -4.538 3.752 -2.682 1.00 12.21 H HETATM 39 HB23 AIB A 3 -4.070 2.499 -3.831 1.00 21.31 H HETATM 40 N AIB A 4 -1.082 3.340 -0.550 1.00 21.52 N HETATM 41 CA AIB A 4 -0.304 4.291 0.235 1.00 60.13 C HETATM 42 C AIB A 4 0.424 5.248 -0.703 1.00 53.22 C HETATM 43 O AIB A 4 0.553 6.437 -0.414 1.00 52.42 O HETATM 44 CB1 AIB A 4 0.715 3.537 1.083 1.00 42.23 C HETATM 45 CB2 AIB A 4 -1.237 5.082 1.145 1.00 11.21 C HETATM 46 H AIB A 4 -0.873 2.384 -0.487 1.00 11.41 H HETATM 47 HB11 AIB A 4 1.148 4.210 1.808 1.00 42.31 H HETATM 48 HB12 AIB A 4 1.494 3.145 0.446 1.00 70.05 H HETATM 49 HB13 AIB A 4 0.225 2.723 1.595 1.00 21.43 H HETATM 50 HB21 AIB A 4 -1.927 4.406 1.629 1.00 5.21 H HETATM 51 HB22 AIB A 4 -1.790 5.800 0.558 1.00 43.44 H HETATM 52 HB23 AIB A 4 -0.656 5.600 1.893 1.00 2.35 H HETATM 53 N AIB A 5 0.897 4.721 -1.828 1.00 3.34 N HETATM 54 CA AIB A 5 1.612 5.529 -2.808 1.00 42.32 C HETATM 55 C AIB A 5 0.745 6.714 -3.220 1.00 11.33 C HETATM 56 O AIB A 5 1.255 7.789 -3.535 1.00 54.03 O HETATM 57 CB1 AIB A 5 1.927 4.679 -4.035 1.00 10.52 C HETATM 58 CB2 AIB A 5 2.912 6.039 -2.196 1.00 4.32 C HETATM 59 H AIB A 5 0.763 3.767 -2.002 1.00 32.43 H HETATM 60 HB11 AIB A 5 1.480 5.130 -4.909 1.00 23.30 H HETATM 61 HB12 AIB A 5 1.526 3.686 -3.897 1.00 3.12 H HETATM 62 HB13 AIB A 5 2.997 4.621 -4.167 1.00 63.21 H HETATM 63 HB21 AIB A 5 2.693 6.822 -1.485 1.00 11.12 H HETATM 64 HB22 AIB A 5 3.549 6.430 -2.976 1.00 70.11 H HETATM 65 HB23 AIB A 5 3.416 5.227 -1.693 1.00 4.20 H HETATM 66 N DIV A 6 -0.568 6.510 -3.214 1.00 13.32 N HETATM 67 CA DIV A 6 -1.507 7.562 -3.586 1.00 44.15 C HETATM 68 CB1 DIV A 6 -1.363 7.868 -5.074 1.00 20.23 C HETATM 69 CG1 DIV A 6 -1.359 6.635 -5.951 1.00 54.32 C HETATM 70 CB2 DIV A 6 -2.931 7.099 -3.298 1.00 24.41 C HETATM 71 C DIV A 6 -1.208 8.820 -2.778 1.00 24.02 C HETATM 72 O DIV A 6 -1.391 9.937 -3.258 1.00 52.44 O HETATM 73 H DIV A 6 -0.914 5.632 -2.953 1.00 33.35 H HETATM 74 HB11 DIV A 6 -0.440 8.403 -5.240 1.00 62.12 H HETATM 75 HB12 DIV A 6 -2.178 8.503 -5.388 1.00 33.44 H HETATM 76 HG11 DIV A 6 -1.763 6.883 -6.922 1.00 3.40 H HETATM 77 HG12 DIV A 6 -1.966 5.867 -5.495 1.00 61.12 H HETATM 78 HG13 DIV A 6 -0.347 6.276 -6.063 1.00 71.01 H HETATM 79 HB21 DIV A 6 -3.066 6.095 -3.674 1.00 2.30 H HETATM 80 HB22 DIV A 6 -3.631 7.763 -3.783 1.00 65.55 H HETATM 81 HB23 DIV A 6 -3.104 7.110 -2.232 1.00 2.01 H ATOM 82 N GLY A 7 -0.745 8.630 -1.546 1.00 35.44 N ATOM 83 CA GLY A 7 -0.429 9.758 -0.690 1.00 25.24 C ATOM 84 C GLY A 7 0.513 10.743 -1.353 1.00 65.54 C ATOM 85 O GLY A 7 0.416 11.951 -1.134 1.00 60.33 O ATOM 86 H GLY A 7 -0.619 7.715 -1.215 1.00 42.51 H ATOM 87 HA2 GLY A 7 -1.344 10.269 -0.432 1.00 72.13 H ATOM 88 HA3 GLY A 7 0.033 9.390 0.215 1.00 21.01 H ATOM 89 N LEU A 8 1.429 10.227 -2.166 1.00 23.13 N ATOM 90 CA LEU A 8 2.395 11.069 -2.863 1.00 10.31 C ATOM 91 C LEU A 8 1.738 11.799 -4.031 1.00 22.35 C ATOM 92 O LEU A 8 2.191 12.866 -4.442 1.00 44.22 O ATOM 93 CB LEU A 8 3.567 10.225 -3.368 1.00 54.40 C ATOM 94 CG LEU A 8 4.304 9.401 -2.312 1.00 72.55 C ATOM 95 CD1 LEU A 8 5.674 8.983 -2.823 1.00 22.13 C ATOM 96 CD2 LEU A 8 4.432 10.186 -1.016 1.00 3.24 C ATOM 97 H LEU A 8 1.458 9.257 -2.301 1.00 12.03 H ATOM 98 HA LEU A 8 2.765 11.800 -2.160 1.00 2.42 H ATOM 99 HB2 LEU A 8 3.186 9.544 -4.113 1.00 41.13 H ATOM 100 HB3 LEU A 8 4.282 10.894 -3.826 1.00 13.33 H ATOM 101 HG LEU A 8 3.737 8.503 -2.106 1.00 64.20 H ATOM 102 HD11 LEU A 8 6.252 8.572 -2.009 1.00 14.05 H ATOM 103 HD12 LEU A 8 6.185 9.844 -3.228 1.00 61.20 H ATOM 104 HD13 LEU A 8 5.558 8.237 -3.595 1.00 65.24 H ATOM 105 HD21 LEU A 8 3.510 10.112 -0.458 1.00 4.32 H ATOM 106 HD22 LEU A 8 4.634 11.223 -1.242 1.00 11.44 H ATOM 107 HD23 LEU A 8 5.242 9.781 -0.428 1.00 45.00 H HETATM 108 N AIB A 9 0.667 11.216 -4.558 1.00 72.23 N HETATM 109 CA AIB A 9 -0.054 11.811 -5.677 1.00 2.50 C HETATM 110 C AIB A 9 -1.012 12.877 -5.155 1.00 30.11 C HETATM 111 O AIB A 9 -1.503 13.711 -5.915 1.00 63.45 O HETATM 112 CB1 AIB A 9 -0.844 10.730 -6.406 1.00 53.10 C HETATM 113 CB2 AIB A 9 0.941 12.450 -6.640 1.00 40.51 C HETATM 114 H AIB A 9 0.354 10.365 -4.187 1.00 14.25 H HETATM 115 HB11 AIB A 9 -0.200 9.887 -6.608 1.00 42.41 H HETATM 116 HB12 AIB A 9 -1.222 11.126 -7.337 1.00 42.12 H HETATM 117 HB13 AIB A 9 -1.671 10.411 -5.789 1.00 74.10 H HETATM 118 HB21 AIB A 9 0.541 12.421 -7.643 1.00 23.50 H HETATM 119 HB22 AIB A 9 1.874 11.906 -6.608 1.00 15.51 H HETATM 120 HB23 AIB A 9 1.113 13.477 -6.352 1.00 31.15 H HETATM 121 N AIB A 10 -1.274 12.843 -3.852 1.00 61.14 N HETATM 122 CA AIB A 10 -2.173 13.806 -3.229 1.00 35.24 C HETATM 123 C AIB A 10 -1.651 15.218 -3.468 1.00 10.44 C HETATM 124 O AIB A 10 -2.353 16.087 -3.985 1.00 15.21 O HETATM 125 CB1 AIB A 10 -2.245 13.537 -1.729 1.00 51.11 C HETATM 126 CB2 AIB A 10 -3.565 13.669 -3.837 1.00 34.13 C HETATM 127 H AIB A 10 -0.852 12.154 -3.298 1.00 10.11 H HETATM 128 HB11 AIB A 10 -3.279 13.474 -1.424 1.00 31.43 H HETATM 129 HB12 AIB A 10 -1.761 14.342 -1.196 1.00 21.33 H HETATM 130 HB13 AIB A 10 -1.746 12.606 -1.506 1.00 60.30 H HETATM 131 HB21 AIB A 10 -3.899 12.646 -3.746 1.00 21.32 H HETATM 132 HB22 AIB A 10 -3.531 13.945 -4.880 1.00 51.12 H HETATM 133 HB23 AIB A 10 -4.252 14.319 -3.315 1.00 2.14 H HETATM 134 N HYP A 11 -0.388 15.456 -3.083 1.00 32.33 N HETATM 135 CA HYP A 11 0.257 16.762 -3.246 1.00 31.13 C HETATM 136 C HYP A 11 0.208 17.257 -4.687 1.00 74.11 C HETATM 137 O HYP A 11 0.397 18.444 -4.951 1.00 60.24 O HETATM 138 CB HYP A 11 1.703 16.499 -2.820 1.00 24.22 C HETATM 139 CG HYP A 11 1.629 15.289 -1.954 1.00 63.52 C HETATM 140 CD HYP A 11 0.507 14.467 -2.459 1.00 63.11 C HETATM 141 OD1 HYP A 11 1.930 15.611 -0.591 1.00 2.32 O HETATM 142 HA HYP A 11 -0.182 17.505 -2.596 1.00 20.11 H HETATM 143 HB2 HYP A 11 2.313 16.323 -3.695 1.00 74.32 H HETATM 144 HB3 HYP A 11 2.083 17.350 -2.276 1.00 11.44 H HETATM 145 HG HYP A 11 2.321 14.545 -2.322 1.00 32.11 H HETATM 146 HD22 HYP A 11 0.724 13.658 -3.141 1.00 53.35 H HETATM 147 HD23 HYP A 11 0.081 14.086 -1.543 1.00 23.04 H HETATM 148 HD1 HYP A 11 1.424 15.042 -0.007 1.00 73.34 H ATOM 149 N GLN A 12 -0.048 16.340 -5.614 1.00 73.15 N ATOM 150 CA GLN A 12 -0.122 16.685 -7.029 1.00 70.33 C ATOM 151 C GLN A 12 -1.536 17.106 -7.414 1.00 14.21 C ATOM 152 O GLN A 12 -1.749 17.721 -8.458 1.00 42.52 O ATOM 153 CB GLN A 12 0.321 15.499 -7.889 1.00 1.44 C ATOM 154 CG GLN A 12 1.830 15.333 -7.964 1.00 43.55 C ATOM 155 CD GLN A 12 2.527 16.568 -8.503 1.00 33.40 C ATOM 156 OE1 GLN A 12 2.457 16.863 -9.696 1.00 55.23 O ATOM 157 NE2 GLN A 12 3.204 17.296 -7.624 1.00 3.42 N ATOM 158 H GLN A 12 -0.190 15.410 -5.341 1.00 53.20 H ATOM 159 HA GLN A 12 0.547 17.514 -7.203 1.00 70.35 H ATOM 160 HB2 GLN A 12 -0.099 14.594 -7.476 1.00 40.23 H ATOM 161 HB3 GLN A 12 -0.055 15.637 -8.892 1.00 22.13 H ATOM 162 HG2 GLN A 12 2.208 15.130 -6.973 1.00 53.22 H ATOM 163 HG3 GLN A 12 2.055 14.499 -8.612 1.00 44.12 H ATOM 164 HE21 GLN A 12 3.217 16.999 -6.689 1.00 44.43 H ATOM 165 HE22 GLN A 12 3.665 18.099 -7.944 1.00 74.25 H HETATM 166 N DIV A 13 -2.501 16.770 -6.563 1.00 44.21 N HETATM 167 CA DIV A 13 -3.895 17.114 -6.814 1.00 70.44 C HETATM 168 CB1 DIV A 13 -4.337 16.506 -8.141 1.00 71.43 C HETATM 169 CG1 DIV A 13 -3.617 15.222 -8.493 1.00 51.32 C HETATM 170 CB2 DIV A 13 -4.765 16.564 -5.689 1.00 3.14 C HETATM 171 C DIV A 13 -4.042 18.630 -6.876 1.00 41.32 C HETATM 172 O DIV A 13 -4.609 19.186 -7.817 1.00 60.23 O HETATM 173 H DIV A 13 -2.269 16.280 -5.747 1.00 64.12 H HETATM 174 HB11 DIV A 13 -4.164 17.217 -8.935 1.00 14.51 H HETATM 175 HB12 DIV A 13 -5.396 16.298 -8.103 1.00 53.33 H HETATM 176 HG11 DIV A 13 -4.204 14.665 -9.208 1.00 61.33 H HETATM 177 HG12 DIV A 13 -3.480 14.630 -7.601 1.00 1.15 H HETATM 178 HG13 DIV A 13 -2.654 15.456 -8.922 1.00 21.21 H HETATM 179 HB21 DIV A 13 -4.227 15.789 -5.164 1.00 24.43 H HETATM 180 HB22 DIV A 13 -5.674 16.154 -6.103 1.00 43.03 H HETATM 181 HB23 DIV A 13 -5.010 17.361 -5.001 1.00 62.54 H HETATM 182 N HYP A 14 -3.519 19.318 -5.850 1.00 54.10 N HETATM 183 CA HYP A 14 -3.579 20.780 -5.765 1.00 14.32 C HETATM 184 C HYP A 14 -2.474 21.454 -6.570 1.00 64.33 C HETATM 185 O HYP A 14 -2.427 22.679 -6.674 1.00 43.10 O HETATM 186 CB HYP A 14 -3.396 21.056 -4.270 1.00 51.33 C HETATM 187 CG HYP A 14 -2.681 19.858 -3.749 1.00 4.22 C HETATM 188 CD HYP A 14 -2.829 18.721 -4.694 1.00 53.22 C HETATM 189 OD1 HYP A 14 -3.052 19.587 -2.392 1.00 34.43 O HETATM 190 HA HYP A 14 -4.539 21.157 -6.087 1.00 41.42 H HETATM 191 HB2 HYP A 14 -2.812 21.956 -4.137 1.00 23.21 H HETATM 192 HB3 HYP A 14 -4.361 21.175 -3.801 1.00 74.54 H HETATM 193 HG HYP A 14 -1.615 20.022 -3.817 1.00 53.10 H HETATM 194 HD22 HYP A 14 -1.876 18.306 -4.986 1.00 50.33 H HETATM 195 HD23 HYP A 14 -3.444 17.966 -4.227 1.00 12.44 H HETATM 196 HD1 HYP A 14 -2.297 19.731 -1.817 1.00 42.04 H HETATM 197 N AIB A 15 -1.586 20.645 -7.139 1.00 62.13 N HETATM 198 CA AIB A 15 -0.480 21.163 -7.936 1.00 55.42 C HETATM 199 C AIB A 15 -1.029 22.048 -9.051 1.00 4.22 C HETATM 200 O AIB A 15 -0.675 23.221 -9.177 1.00 21.33 O HETATM 201 CB1 AIB A 15 0.296 20.001 -8.545 1.00 62.24 C HETATM 202 CB2 AIB A 15 0.447 21.983 -7.046 1.00 2.41 C HETATM 203 H AIB A 15 -1.676 19.677 -7.020 1.00 73.43 H HETATM 204 HB11 AIB A 15 -0.063 19.071 -8.130 1.00 71.10 H HETATM 205 HB12 AIB A 15 1.347 20.113 -8.321 1.00 53.14 H HETATM 206 HB13 AIB A 15 0.155 19.995 -9.616 1.00 51.31 H HETATM 207 HB21 AIB A 15 -0.128 22.728 -6.516 1.00 41.41 H HETATM 208 HB22 AIB A 15 1.193 22.471 -7.656 1.00 3.22 H HETATM 209 HB23 AIB A 15 0.933 21.331 -6.335 1.00 44.42 H ATOM 210 N PRO A 16 -1.914 21.476 -9.880 1.00 64.52 N ATOM 211 CA PRO A 16 -2.530 22.195 -10.999 1.00 71.30 C ATOM 212 C PRO A 16 -3.591 23.187 -10.536 1.00 2.51 C ATOM 213 O PRO A 16 -4.075 24.005 -11.319 1.00 63.24 O ATOM 214 CB PRO A 16 -3.169 21.078 -11.829 1.00 44.54 C ATOM 215 CG PRO A 16 -3.424 19.981 -10.855 1.00 74.33 C ATOM 216 CD PRO A 16 -2.381 20.082 -9.789 1.00 50.14 C ATOM 217 HA PRO A 16 -1.791 22.711 -11.594 1.00 71.23 H ATOM 218 HB2 PRO A 16 -4.087 21.437 -12.273 1.00 33.45 H ATOM 219 HB3 PRO A 16 -2.486 20.766 -12.605 1.00 41.52 H ATOM 220 HG2 PRO A 16 -4.404 20.098 -10.418 1.00 52.23 H ATOM 221 HG3 PRO A 16 -3.345 19.025 -11.351 1.00 74.44 H ATOM 222 HD2 PRO A 16 -2.828 19.887 -8.826 1.00 11.32 H ATOM 223 HD3 PRO A 16 -1.572 19.392 -9.979 1.00 32.24 H HETATM 224 N PHL A 17 -3.948 23.112 -9.258 1.00 71.52 N HETATM 225 CA PHL A 17 -4.952 24.004 -8.691 1.00 34.31 C HETATM 226 C PHL A 17 -4.372 24.809 -7.532 1.00 31.11 C HETATM 227 O PHL A 17 -3.018 25.194 -7.799 1.00 62.42 O HETATM 228 CB PHL A 17 -6.165 23.203 -8.213 1.00 74.33 C HETATM 229 CG PHL A 17 -7.137 22.875 -9.311 1.00 14.35 C HETATM 230 CD1 PHL A 17 -6.749 22.095 -10.388 1.00 15.02 C HETATM 231 CD2 PHL A 17 -8.439 23.348 -9.265 1.00 0.30 C HETATM 232 CE1 PHL A 17 -7.642 21.792 -11.399 1.00 65.51 C HETATM 233 CE2 PHL A 17 -9.335 23.048 -10.273 1.00 35.30 C HETATM 234 CZ PHL A 17 -8.936 22.270 -11.342 1.00 20.51 C HETATM 235 H PHL A 17 -3.526 22.439 -8.683 1.00 74.31 H HETATM 236 HA PHL A 17 -5.265 24.686 -9.467 1.00 22.45 H HETATM 237 HC1 PHL A 17 -4.964 25.700 -7.386 1.00 14.23 H HETATM 238 HC2 PHL A 17 -4.392 24.207 -6.635 1.00 53.41 H HETATM 239 HO PHL A 17 -2.491 25.083 -7.005 1.00 4.14 H HETATM 240 HB2 PHL A 17 -5.827 22.273 -7.782 1.00 63.55 H HETATM 241 HB3 PHL A 17 -6.691 23.773 -7.462 1.00 23.41 H HETATM 242 HD1 PHL A 17 -5.736 21.721 -10.434 1.00 33.35 H HETATM 243 HD2 PHL A 17 -8.753 23.958 -8.430 1.00 63.13 H HETATM 244 HE1 PHL A 17 -7.326 21.183 -12.233 1.00 64.22 H HETATM 245 HE2 PHL A 17 -10.347 23.423 -10.226 1.00 60.11 H HETATM 246 HZ PHL A 17 -9.635 22.033 -12.130 1.00 43.14 H TER 247 PHL A 17