HETATM 1 C ACE A 1 1.630 0.929 -2.236 1.00 1.42 C HETATM 2 O ACE A 1 1.873 2.136 -2.188 1.00 34.40 O HETATM 3 CH3 ACE A 1 2.224 -0.020 -1.214 1.00 40.22 C HETATM 4 H1 ACE A 1 1.712 0.098 -0.271 1.00 74.12 H HETATM 5 H2 ACE A 1 3.273 0.201 -1.084 1.00 63.41 H HETATM 6 H3 ACE A 1 2.111 -1.038 -1.560 1.00 1.21 H ATOM 7 N PHE A 2 0.851 0.385 -3.164 1.00 73.12 N ATOM 8 CA PHE A 2 0.222 1.191 -4.204 1.00 44.41 C ATOM 9 C PHE A 2 -0.770 2.180 -3.600 1.00 12.50 C ATOM 10 O PHE A 2 -0.676 3.387 -3.825 1.00 60.43 O ATOM 11 CB PHE A 2 -0.489 0.292 -5.217 1.00 31.22 C ATOM 12 CG PHE A 2 -0.815 0.985 -6.509 1.00 60.40 C ATOM 13 CD1 PHE A 2 -1.842 1.912 -6.573 1.00 41.52 C ATOM 14 CD2 PHE A 2 -0.095 0.707 -7.660 1.00 4.43 C ATOM 15 CE1 PHE A 2 -2.144 2.552 -7.761 1.00 12.14 C ATOM 16 CE2 PHE A 2 -0.392 1.344 -8.850 1.00 0.22 C ATOM 17 CZ PHE A 2 -1.419 2.267 -8.901 1.00 22.33 C ATOM 18 H PHE A 2 0.695 -0.583 -3.150 1.00 11.00 H ATOM 19 HA PHE A 2 1.000 1.743 -4.709 1.00 52.24 H ATOM 20 HB2 PHE A 2 0.144 -0.553 -5.444 1.00 53.23 H ATOM 21 HB3 PHE A 2 -1.414 -0.062 -4.786 1.00 4.21 H ATOM 22 HD1 PHE A 2 -2.411 2.136 -5.681 1.00 45.33 H ATOM 23 HD2 PHE A 2 0.708 -0.014 -7.622 1.00 31.50 H ATOM 24 HE1 PHE A 2 -2.948 3.273 -7.797 1.00 23.24 H ATOM 25 HE2 PHE A 2 0.176 1.119 -9.740 1.00 5.11 H ATOM 26 HZ PHE A 2 -1.653 2.766 -9.829 1.00 63.31 H HETATM 27 N AIB A 3 -1.722 1.660 -2.832 1.00 3.01 N HETATM 28 CA AIB A 3 -2.732 2.496 -2.196 1.00 14.15 C HETATM 29 C AIB A 3 -2.049 3.605 -1.403 1.00 10.31 C HETATM 30 O AIB A 3 -2.399 4.778 -1.529 1.00 55.22 O HETATM 31 CB1 AIB A 3 -3.577 1.645 -1.254 1.00 31.53 C HETATM 32 CB2 AIB A 3 -3.628 3.113 -3.264 1.00 74.04 C HETATM 33 H AIB A 3 -1.744 0.691 -2.690 1.00 34.11 H HETATM 34 HB11 AIB A 3 -3.585 0.622 -1.602 1.00 5.13 H HETATM 35 HB12 AIB A 3 -4.588 2.025 -1.233 1.00 4.10 H HETATM 36 HB13 AIB A 3 -3.157 1.683 -0.259 1.00 54.33 H HETATM 37 HB21 AIB A 3 -3.054 3.809 -3.858 1.00 11.34 H HETATM 38 HB22 AIB A 3 -4.448 3.633 -2.791 1.00 3.51 H HETATM 39 HB23 AIB A 3 -4.018 2.333 -3.902 1.00 22.22 H HETATM 40 N AIB A 4 -1.072 3.226 -0.586 1.00 1.02 N HETATM 41 CA AIB A 4 -0.339 4.189 0.228 1.00 72.14 C HETATM 42 C AIB A 4 0.383 5.177 -0.682 1.00 3.01 C HETATM 43 O AIB A 4 0.473 6.366 -0.376 1.00 72.33 O HETATM 44 CB1 AIB A 4 0.680 3.453 1.091 1.00 43.40 C HETATM 45 CB2 AIB A 4 -1.315 4.943 1.125 1.00 40.34 C HETATM 46 H AIB A 4 -0.838 2.276 -0.529 1.00 14.23 H HETATM 47 HB11 AIB A 4 1.572 3.263 0.512 1.00 72.12 H HETATM 48 HB12 AIB A 4 0.260 2.516 1.424 1.00 22.12 H HETATM 49 HB13 AIB A 4 0.931 4.061 1.948 1.00 32.43 H HETATM 50 HB21 AIB A 4 -1.996 4.243 1.585 1.00 71.10 H HETATM 51 HB22 AIB A 4 -1.874 5.653 0.532 1.00 21.42 H HETATM 52 HB23 AIB A 4 -0.766 5.469 1.892 1.00 62.21 H HETATM 53 N AIB A 5 0.897 4.677 -1.801 1.00 23.23 N HETATM 54 CA AIB A 5 1.612 5.516 -2.755 1.00 22.11 C HETATM 55 C AIB A 5 0.722 6.681 -3.174 1.00 72.12 C HETATM 56 O AIB A 5 1.208 7.773 -3.466 1.00 64.23 O HETATM 57 CB1 AIB A 5 1.980 4.690 -3.983 1.00 32.52 C HETATM 58 CB2 AIB A 5 2.883 6.055 -2.106 1.00 34.11 C HETATM 59 H AIB A 5 0.793 3.721 -1.989 1.00 22.01 H HETATM 60 HB11 AIB A 5 1.604 3.684 -3.866 1.00 34.11 H HETATM 61 HB12 AIB A 5 3.054 4.662 -4.090 1.00 22.14 H HETATM 62 HB13 AIB A 5 1.542 5.138 -4.863 1.00 21.44 H HETATM 63 HB21 AIB A 5 2.628 6.851 -1.422 1.00 34.22 H HETATM 64 HB22 AIB A 5 3.544 6.435 -2.870 1.00 50.33 H HETATM 65 HB23 AIB A 5 3.376 5.260 -1.566 1.00 10.21 H HETATM 66 N DIV A 6 -0.585 6.440 -3.201 1.00 41.44 N HETATM 67 CA DIV A 6 -1.543 7.470 -3.585 1.00 74.10 C HETATM 68 CB1 DIV A 6 -1.372 7.798 -5.064 1.00 40.14 C HETATM 69 CG1 DIV A 6 -1.312 6.577 -5.956 1.00 55.43 C HETATM 70 CB2 DIV A 6 -2.960 6.963 -3.338 1.00 32.24 C HETATM 71 C DIV A 6 -1.300 8.725 -2.754 1.00 54.53 C HETATM 72 O DIV A 6 -1.508 9.843 -3.225 1.00 14.15 O HETATM 73 H DIV A 6 -0.912 5.550 -2.958 1.00 31.42 H HETATM 74 HB11 DIV A 6 -0.460 8.361 -5.202 1.00 33.44 H HETATM 75 HB12 DIV A 6 -2.197 8.414 -5.391 1.00 3.11 H HETATM 76 HG11 DIV A 6 -1.252 6.888 -6.989 1.00 13.42 H HETATM 77 HG12 DIV A 6 -2.202 5.982 -5.811 1.00 64.20 H HETATM 78 HG13 DIV A 6 -0.441 5.991 -5.706 1.00 31.43 H HETATM 79 HB21 DIV A 6 -3.064 5.969 -3.748 1.00 3.05 H HETATM 80 HB22 DIV A 6 -3.668 7.625 -3.815 1.00 22.41 H HETATM 81 HB23 DIV A 6 -3.153 6.936 -2.275 1.00 64.12 H ATOM 82 N GLY A 7 -0.858 8.533 -1.515 1.00 75.00 N ATOM 83 CA GLY A 7 -0.595 9.659 -0.638 1.00 64.13 C ATOM 84 C GLY A 7 0.348 10.670 -1.260 1.00 62.35 C ATOM 85 O GLY A 7 0.229 11.872 -1.019 1.00 61.31 O ATOM 86 H GLY A 7 -0.711 7.619 -1.194 1.00 24.15 H ATOM 87 HA2 GLY A 7 -1.529 10.148 -0.407 1.00 51.14 H ATOM 88 HA3 GLY A 7 -0.156 9.292 0.278 1.00 30.31 H ATOM 89 N LEU A 8 1.289 10.183 -2.062 1.00 40.23 N ATOM 90 CA LEU A 8 2.258 11.053 -2.720 1.00 61.23 C ATOM 91 C LEU A 8 1.624 11.779 -3.902 1.00 70.55 C ATOM 92 O LEU A 8 2.097 12.835 -4.321 1.00 74.20 O ATOM 93 CB LEU A 8 3.464 10.239 -3.194 1.00 12.22 C ATOM 94 CG LEU A 8 4.626 10.124 -2.207 1.00 12.55 C ATOM 95 CD1 LEU A 8 4.370 9.006 -1.209 1.00 21.33 C ATOM 96 CD2 LEU A 8 5.934 9.892 -2.948 1.00 24.14 C ATOM 97 H LEU A 8 1.334 9.217 -2.216 1.00 70.12 H ATOM 98 HA LEU A 8 2.589 11.785 -1.999 1.00 41.22 H ATOM 99 HB2 LEU A 8 3.121 9.241 -3.418 1.00 63.23 H ATOM 100 HB3 LEU A 8 3.839 10.701 -4.096 1.00 63.42 H ATOM 101 HG LEU A 8 4.713 11.050 -1.654 1.00 42.01 H ATOM 102 HD11 LEU A 8 3.363 9.086 -0.829 1.00 20.35 H ATOM 103 HD12 LEU A 8 5.071 9.085 -0.391 1.00 41.41 H ATOM 104 HD13 LEU A 8 4.496 8.051 -1.698 1.00 50.05 H ATOM 105 HD21 LEU A 8 6.369 10.843 -3.216 1.00 44.22 H ATOM 106 HD22 LEU A 8 5.744 9.318 -3.843 1.00 32.21 H ATOM 107 HD23 LEU A 8 6.617 9.350 -2.310 1.00 45.35 H HETATM 108 N AIB A 9 0.550 11.205 -4.435 1.00 13.20 N HETATM 109 CA AIB A 9 -0.151 11.799 -5.567 1.00 62.35 C HETATM 110 C AIB A 9 -1.099 12.883 -5.067 1.00 52.00 C HETATM 111 O AIB A 9 -1.568 13.717 -5.841 1.00 45.30 O HETATM 112 CB1 AIB A 9 -0.949 10.721 -6.293 1.00 62.42 C HETATM 113 CB2 AIB A 9 0.863 12.413 -6.527 1.00 10.21 C HETATM 114 H AIB A 9 0.221 10.363 -4.057 1.00 55.32 H HETATM 115 HB11 AIB A 9 -1.741 10.365 -5.651 1.00 24.14 H HETATM 116 HB12 AIB A 9 -0.295 9.899 -6.548 1.00 14.30 H HETATM 117 HB13 AIB A 9 -1.376 11.134 -7.195 1.00 45.31 H HETATM 118 HB21 AIB A 9 1.787 11.856 -6.480 1.00 10.13 H HETATM 119 HB22 AIB A 9 1.047 13.440 -6.247 1.00 51.01 H HETATM 120 HB23 AIB A 9 0.473 12.379 -7.533 1.00 72.24 H HETATM 121 N AIB A 10 -1.378 12.865 -3.768 1.00 31.43 N HETATM 122 CA AIB A 10 -2.271 13.846 -3.164 1.00 2.41 C HETATM 123 C AIB A 10 -1.725 15.249 -3.409 1.00 65.13 C HETATM 124 O AIB A 10 -2.408 16.123 -3.942 1.00 41.33 O HETATM 125 CB1 AIB A 10 -2.365 13.593 -1.663 1.00 63.20 C HETATM 126 CB2 AIB A 10 -3.657 13.724 -3.788 1.00 11.42 C HETATM 127 H AIB A 10 -0.974 12.174 -3.202 1.00 2.40 H HETATM 128 HB11 AIB A 10 -1.874 14.395 -1.131 1.00 73.40 H HETATM 129 HB12 AIB A 10 -1.883 12.656 -1.425 1.00 71.35 H HETATM 130 HB13 AIB A 10 -3.403 13.548 -1.370 1.00 12.33 H HETATM 131 HB21 AIB A 10 -3.606 13.990 -4.833 1.00 60.04 H HETATM 132 HB22 AIB A 10 -4.340 14.390 -3.280 1.00 70.43 H HETATM 133 HB23 AIB A 10 -4.007 12.707 -3.691 1.00 41.13 H HETATM 134 N HYP A 11 -0.463 15.471 -3.012 1.00 62.20 N HETATM 135 CA HYP A 11 0.204 16.766 -3.179 1.00 74.31 C HETATM 136 C HYP A 11 0.178 17.248 -4.625 1.00 43.34 C HETATM 137 O HYP A 11 0.388 18.430 -4.898 1.00 65.20 O HETATM 138 CB HYP A 11 1.641 16.485 -2.734 1.00 61.12 C HETATM 139 CG HYP A 11 1.539 15.284 -1.859 1.00 31.13 C HETATM 140 CD HYP A 11 0.411 14.474 -2.370 1.00 14.45 C HETATM 141 OD1 HYP A 11 1.836 15.613 -0.496 1.00 40.20 O HETATM 142 HA HYP A 11 -0.231 17.521 -2.541 1.00 54.01 H HETATM 143 HB2 HYP A 11 2.258 16.292 -3.601 1.00 34.21 H HETATM 144 HB3 HYP A 11 2.027 17.336 -2.193 1.00 61.23 H HETATM 145 HG HYP A 11 2.219 14.525 -2.215 1.00 24.31 H HETATM 146 HD22 HYP A 11 0.624 13.657 -3.043 1.00 1.42 H HETATM 147 HD23 HYP A 11 -0.032 14.107 -1.456 1.00 33.24 H HETATM 148 HD1 HYP A 11 1.058 15.464 0.047 1.00 64.43 H ATOM 149 N GLN A 12 -0.080 16.327 -5.547 1.00 75.35 N ATOM 150 CA GLN A 12 -0.133 16.660 -6.966 1.00 62.21 C ATOM 151 C GLN A 12 -1.536 17.098 -7.371 1.00 13.21 C ATOM 152 O GLN A 12 -1.728 17.707 -8.423 1.00 64.54 O ATOM 153 CB GLN A 12 0.303 15.460 -7.810 1.00 10.44 C ATOM 154 CG GLN A 12 1.810 15.272 -7.866 1.00 43.14 C ATOM 155 CD GLN A 12 2.475 16.186 -8.877 1.00 70.10 C ATOM 156 OE1 GLN A 12 2.733 15.790 -10.014 1.00 23.41 O ATOM 157 NE2 GLN A 12 2.756 17.417 -8.467 1.00 53.43 N ATOM 158 H GLN A 12 -0.239 15.402 -5.267 1.00 74.24 H ATOM 159 HA GLN A 12 0.550 17.477 -7.140 1.00 2.42 H ATOM 160 HB2 GLN A 12 -0.135 14.565 -7.394 1.00 40.22 H ATOM 161 HB3 GLN A 12 -0.059 15.594 -8.818 1.00 53.32 H ATOM 162 HG2 GLN A 12 2.223 15.480 -6.890 1.00 64.15 H ATOM 163 HG3 GLN A 12 2.022 14.248 -8.135 1.00 20.41 H ATOM 164 HE21 GLN A 12 2.522 17.663 -7.547 1.00 42.01 H ATOM 165 HE22 GLN A 12 3.186 18.029 -9.099 1.00 61.34 H HETATM 166 N DIV A 13 -2.515 16.785 -6.528 1.00 60.43 N HETATM 167 CA DIV A 13 -3.901 17.146 -6.799 1.00 32.11 C HETATM 168 CB1 DIV A 13 -4.337 16.532 -8.125 1.00 41.12 C HETATM 169 CG1 DIV A 13 -3.632 15.235 -8.457 1.00 1.21 C HETATM 170 CB2 DIV A 13 -4.792 16.620 -5.678 1.00 62.32 C HETATM 171 C DIV A 13 -4.025 18.664 -6.876 1.00 71.12 C HETATM 172 O DIV A 13 -4.573 19.219 -7.829 1.00 32.21 O HETATM 173 H DIV A 13 -2.300 16.299 -5.705 1.00 65.22 H HETATM 174 HB11 DIV A 13 -4.145 17.234 -8.923 1.00 63.02 H HETATM 175 HB12 DIV A 13 -5.399 16.341 -8.098 1.00 34.44 H HETATM 176 HG11 DIV A 13 -4.219 14.679 -9.173 1.00 43.44 H HETATM 177 HG12 DIV A 13 -3.513 14.650 -7.557 1.00 73.43 H HETATM 178 HG13 DIV A 13 -2.661 15.451 -8.877 1.00 24.41 H HETATM 179 HB21 DIV A 13 -4.271 15.841 -5.140 1.00 53.13 H HETATM 180 HB22 DIV A 13 -5.702 16.219 -6.100 1.00 0.43 H HETATM 181 HB23 DIV A 13 -5.033 17.426 -5.001 1.00 63.11 H HETATM 182 N HYP A 14 -3.504 19.354 -5.850 1.00 72.44 N HETATM 183 CA HYP A 14 -3.544 20.817 -5.779 1.00 44.23 C HETATM 184 C HYP A 14 -2.419 21.467 -6.578 1.00 61.10 C HETATM 185 O HYP A 14 -2.352 22.690 -6.692 1.00 12.54 O HETATM 186 CB HYP A 14 -3.374 21.104 -4.285 1.00 43.44 C HETATM 187 CG HYP A 14 -2.682 19.901 -3.745 1.00 32.25 C HETATM 188 CD HYP A 14 -2.836 18.758 -4.681 1.00 71.53 C HETATM 189 OD1 HYP A 14 -2.950 19.738 -2.346 1.00 70.02 O HETATM 190 HA HYP A 14 -4.494 21.205 -6.116 1.00 43.34 H HETATM 191 HB2 HYP A 14 -2.777 21.996 -4.153 1.00 55.43 H HETATM 192 HB3 HYP A 14 -4.342 21.241 -3.829 1.00 14.31 H HETATM 193 HG HYP A 14 -1.619 19.996 -3.911 1.00 74.22 H HETATM 194 HD22 HYP A 14 -1.886 18.326 -4.959 1.00 3.14 H HETATM 195 HD23 HYP A 14 -3.467 18.016 -4.214 1.00 53.00 H HETATM 196 HD1 HYP A 14 -3.013 20.600 -1.929 1.00 53.55 H HETATM 197 N AIB A 15 -1.537 20.640 -7.130 1.00 31.11 N HETATM 198 CA AIB A 15 -0.415 21.135 -7.919 1.00 32.33 C HETATM 199 C AIB A 15 -0.937 22.017 -9.048 1.00 35.41 C HETATM 200 O AIB A 15 -0.565 23.183 -9.181 1.00 32.33 O HETATM 201 CB1 AIB A 15 0.351 19.955 -8.508 1.00 4.32 C HETATM 202 CB2 AIB A 15 0.514 21.950 -7.025 1.00 70.33 C HETATM 203 H AIB A 15 -1.644 19.674 -7.004 1.00 4.13 H HETATM 204 HB11 AIB A 15 1.401 20.054 -8.273 1.00 11.44 H HETATM 205 HB12 AIB A 15 0.222 19.942 -9.580 1.00 25.40 H HETATM 206 HB13 AIB A 15 -0.026 19.035 -8.088 1.00 72.40 H HETATM 207 HB21 AIB A 15 -0.043 22.750 -6.561 1.00 52.35 H HETATM 208 HB22 AIB A 15 1.313 22.365 -7.621 1.00 41.51 H HETATM 209 HB23 AIB A 15 0.930 21.311 -6.261 1.00 22.44 H ATOM 210 N PRO A 16 -1.821 21.449 -9.882 1.00 71.02 N ATOM 211 CA PRO A 16 -2.414 22.166 -11.015 1.00 11.22 C ATOM 212 C PRO A 16 -3.466 23.178 -10.574 1.00 2.34 C ATOM 213 O PRO A 16 -3.931 23.993 -11.371 1.00 4.32 O ATOM 214 CB PRO A 16 -3.059 21.051 -11.842 1.00 43.44 C ATOM 215 CG PRO A 16 -3.342 19.967 -10.861 1.00 63.33 C ATOM 216 CD PRO A 16 -2.310 20.063 -9.784 1.00 2.43 C ATOM 217 HA PRO A 16 -1.661 22.666 -11.606 1.00 42.20 H ATOM 218 HB2 PRO A 16 -3.967 21.418 -12.300 1.00 3.42 H ATOM 219 HB3 PRO A 16 -2.371 20.722 -12.607 1.00 53.40 H ATOM 220 HG2 PRO A 16 -4.325 20.102 -10.437 1.00 41.33 H ATOM 221 HG3 PRO A 16 -3.270 19.005 -11.347 1.00 74.14 H ATOM 222 HD2 PRO A 16 -2.771 19.884 -8.824 1.00 2.43 H ATOM 223 HD3 PRO A 16 -1.509 19.360 -9.957 1.00 21.31 H HETATM 224 N PHL A 17 -3.837 23.121 -9.299 1.00 0.32 N HETATM 225 CA PHL A 17 -4.835 24.033 -8.752 1.00 2.24 C HETATM 226 C PHL A 17 -4.245 24.869 -7.619 1.00 72.40 C HETATM 227 O PHL A 17 -2.897 25.254 -7.912 1.00 4.41 O HETATM 228 CB PHL A 17 -6.048 23.251 -8.245 1.00 73.21 C HETATM 229 CG PHL A 17 -7.104 23.039 -9.292 1.00 33.51 C HETATM 230 CD1 PHL A 17 -8.231 23.843 -9.331 1.00 15.21 C HETATM 231 CD2 PHL A 17 -6.970 22.034 -10.237 1.00 21.24 C HETATM 232 CE1 PHL A 17 -9.205 23.651 -10.293 1.00 70.21 C HETATM 233 CE2 PHL A 17 -7.940 21.837 -11.201 1.00 42.03 C HETATM 234 CZ PHL A 17 -9.059 22.646 -11.229 1.00 33.42 C HETATM 235 H PHL A 17 -3.430 22.449 -8.712 1.00 53.31 H HETATM 236 HA PHL A 17 -5.149 24.694 -9.545 1.00 2.14 H HETATM 237 HC1 PHL A 17 -4.841 25.760 -7.486 1.00 61.44 H HETATM 238 HC2 PHL A 17 -4.251 24.288 -6.708 1.00 42.13 H HETATM 239 HO PHL A 17 -2.801 25.394 -8.857 1.00 12.01 H HETATM 240 HB2 PHL A 17 -5.724 22.280 -7.901 1.00 2.55 H HETATM 241 HB3 PHL A 17 -6.497 23.789 -7.424 1.00 23.44 H HETATM 242 HD1 PHL A 17 -8.347 24.630 -8.599 1.00 4.15 H HETATM 243 HD2 PHL A 17 -6.096 21.400 -10.216 1.00 24.12 H HETATM 244 HE1 PHL A 17 -10.079 24.285 -10.311 1.00 61.05 H HETATM 245 HE2 PHL A 17 -7.824 21.050 -11.932 1.00 3.23 H HETATM 246 HZ PHL A 17 -9.818 22.494 -11.982 1.00 12.02 H TER 247 PHL A 17