HETATM 1 C ACE A 1 1.705 0.912 -2.091 1.00 13.23 C HETATM 2 O ACE A 1 1.940 2.120 -2.060 1.00 10.32 O HETATM 3 CH3 ACE A 1 2.281 -0.015 -1.039 1.00 11.00 C HETATM 4 H1 ACE A 1 2.373 0.514 -0.102 1.00 54.24 H HETATM 5 H2 ACE A 1 3.255 -0.359 -1.355 1.00 53.34 H HETATM 6 H3 ACE A 1 1.625 -0.864 -0.909 1.00 70.33 H ATOM 7 N PHE A 2 0.949 0.346 -3.026 1.00 11.41 N ATOM 8 CA PHE A 2 0.339 1.130 -4.094 1.00 5.31 C ATOM 9 C PHE A 2 -0.671 2.124 -3.530 1.00 55.41 C ATOM 10 O PHE A 2 -0.579 3.327 -3.775 1.00 63.24 O ATOM 11 CB PHE A 2 -0.345 0.208 -5.105 1.00 44.35 C ATOM 12 CG PHE A 2 -0.638 0.873 -6.420 1.00 13.32 C ATOM 13 CD1 PHE A 2 0.330 0.940 -7.409 1.00 75.32 C ATOM 14 CD2 PHE A 2 -1.882 1.432 -6.666 1.00 72.41 C ATOM 15 CE1 PHE A 2 0.062 1.552 -8.619 1.00 60.20 C ATOM 16 CE2 PHE A 2 -2.156 2.045 -7.874 1.00 63.34 C ATOM 17 CZ PHE A 2 -1.182 2.104 -8.852 1.00 74.15 C ATOM 18 H PHE A 2 0.798 -0.622 -2.997 1.00 52.12 H ATOM 19 HA PHE A 2 1.125 1.677 -4.592 1.00 50.20 H ATOM 20 HB2 PHE A 2 0.295 -0.640 -5.299 1.00 10.40 H ATOM 21 HB3 PHE A 2 -1.279 -0.138 -4.691 1.00 73.00 H ATOM 22 HD1 PHE A 2 1.303 0.507 -7.229 1.00 12.53 H ATOM 23 HD2 PHE A 2 -2.645 1.386 -5.901 1.00 62.52 H ATOM 24 HE1 PHE A 2 0.825 1.597 -9.382 1.00 75.53 H ATOM 25 HE2 PHE A 2 -3.130 2.475 -8.053 1.00 42.23 H ATOM 26 HZ PHE A 2 -1.394 2.583 -9.797 1.00 23.12 H HETATM 27 N AIB A 3 -1.637 1.613 -2.774 1.00 20.43 N HETATM 28 CA AIB A 3 -2.666 2.454 -2.175 1.00 40.43 C HETATM 29 C AIB A 3 -2.006 3.582 -1.388 1.00 72.15 C HETATM 30 O AIB A 3 -2.360 4.750 -1.544 1.00 51.22 O HETATM 31 CB1 AIB A 3 -3.527 1.615 -1.237 1.00 4.35 C HETATM 32 CB2 AIB A 3 -3.542 3.046 -3.275 1.00 5.22 C HETATM 33 H AIB A 3 -1.658 0.646 -2.614 1.00 43.15 H HETATM 34 HB11 AIB A 3 -4.415 1.290 -1.757 1.00 71.21 H HETATM 35 HB12 AIB A 3 -3.809 2.209 -0.380 1.00 5.14 H HETATM 36 HB13 AIB A 3 -2.965 0.753 -0.908 1.00 74.11 H HETATM 37 HB21 AIB A 3 -4.452 3.434 -2.841 1.00 25.31 H HETATM 38 HB22 AIB A 3 -3.784 2.278 -3.994 1.00 52.23 H HETATM 39 HB23 AIB A 3 -3.009 3.846 -3.768 1.00 23.12 H HETATM 40 N AIB A 4 -1.045 3.223 -0.543 1.00 54.42 N HETATM 41 CA AIB A 4 -0.336 4.205 0.268 1.00 10.31 C HETATM 42 C AIB A 4 0.401 5.181 -0.643 1.00 62.34 C HETATM 43 O AIB A 4 0.477 6.375 -0.358 1.00 40.44 O HETATM 44 CB1 AIB A 4 0.668 3.492 1.167 1.00 21.22 C HETATM 45 CB2 AIB A 4 -1.335 4.971 1.129 1.00 34.42 C HETATM 46 H AIB A 4 -0.808 2.276 -0.463 1.00 51.23 H HETATM 47 HB11 AIB A 4 0.904 4.120 2.013 1.00 12.24 H HETATM 48 HB12 AIB A 4 1.569 3.287 0.609 1.00 64.04 H HETATM 49 HB13 AIB A 4 0.242 2.563 1.516 1.00 21.34 H HETATM 50 HB21 AIB A 4 -2.023 4.275 1.587 1.00 74.15 H HETATM 51 HB22 AIB A 4 -1.884 5.666 0.512 1.00 51.43 H HETATM 52 HB23 AIB A 4 -0.806 5.512 1.899 1.00 13.42 H HETATM 53 N AIB A 5 0.943 4.663 -1.741 1.00 20.21 N HETATM 54 CA AIB A 5 1.674 5.488 -2.694 1.00 44.15 C HETATM 55 C AIB A 5 0.788 6.641 -3.154 1.00 10.04 C HETATM 56 O AIB A 5 1.276 7.730 -3.454 1.00 14.32 O HETATM 57 CB1 AIB A 5 2.072 4.642 -3.899 1.00 62.21 C HETATM 58 CB2 AIB A 5 2.928 6.045 -2.028 1.00 61.01 C HETATM 59 H AIB A 5 0.849 3.703 -1.913 1.00 73.12 H HETATM 60 HB11 AIB A 5 1.700 3.636 -3.771 1.00 54.14 H HETATM 61 HB12 AIB A 5 3.149 4.619 -3.983 1.00 73.13 H HETATM 62 HB13 AIB A 5 1.650 5.071 -4.796 1.00 21.02 H HETATM 63 HB21 AIB A 5 3.462 5.244 -1.539 1.00 30.41 H HETATM 64 HB22 AIB A 5 2.647 6.789 -1.298 1.00 2.15 H HETATM 65 HB23 AIB A 5 3.563 6.497 -2.776 1.00 70.51 H HETATM 66 N DIV A 6 -0.517 6.393 -3.206 1.00 3.23 N HETATM 67 CA DIV A 6 -1.471 7.411 -3.628 1.00 73.23 C HETATM 68 CB1 DIV A 6 -1.270 7.712 -5.110 1.00 15.33 C HETATM 69 CG1 DIV A 6 -1.186 6.475 -5.977 1.00 2.40 C HETATM 70 CB2 DIV A 6 -2.891 6.902 -3.401 1.00 62.20 C HETATM 71 C DIV A 6 -1.251 8.683 -2.816 1.00 73.23 C HETATM 72 O DIV A 6 -1.450 9.791 -3.313 1.00 64.41 O HETATM 73 H DIV A 6 -0.845 5.505 -2.954 1.00 2.11 H HETATM 74 HB11 DIV A 6 -0.359 8.277 -5.238 1.00 40.13 H HETATM 75 HB12 DIV A 6 -2.091 8.318 -5.465 1.00 33.51 H HETATM 76 HG11 DIV A 6 -0.164 6.326 -6.292 1.00 24.43 H HETATM 77 HG12 DIV A 6 -1.815 6.601 -6.846 1.00 11.23 H HETATM 78 HG13 DIV A 6 -1.518 5.617 -5.413 1.00 34.32 H HETATM 79 HB21 DIV A 6 -2.954 5.866 -3.701 1.00 13.20 H HETATM 80 HB22 DIV A 6 -3.582 7.489 -3.987 1.00 51.30 H HETATM 81 HB23 DIV A 6 -3.141 6.989 -2.354 1.00 54.41 H ATOM 82 N GLY A 7 -0.840 8.515 -1.563 1.00 43.30 N ATOM 83 CA GLY A 7 -0.600 9.659 -0.702 1.00 64.50 C ATOM 84 C GLY A 7 0.339 10.670 -1.330 1.00 15.22 C ATOM 85 O GLY A 7 0.191 11.876 -1.125 1.00 21.25 O ATOM 86 H GLY A 7 -0.698 7.608 -1.220 1.00 71.14 H ATOM 87 HA2 GLY A 7 -1.542 10.140 -0.490 1.00 55.23 H ATOM 88 HA3 GLY A 7 -0.168 9.312 0.225 1.00 23.34 H ATOM 89 N LEU A 8 1.307 10.181 -2.096 1.00 22.53 N ATOM 90 CA LEU A 8 2.275 11.051 -2.755 1.00 21.43 C ATOM 91 C LEU A 8 1.649 11.751 -3.956 1.00 75.33 C ATOM 92 O LEU A 8 2.084 12.830 -4.355 1.00 4.20 O ATOM 93 CB LEU A 8 3.496 10.243 -3.200 1.00 11.32 C ATOM 94 CG LEU A 8 4.211 9.450 -2.106 1.00 22.03 C ATOM 95 CD1 LEU A 8 5.617 9.076 -2.550 1.00 74.42 C ATOM 96 CD2 LEU A 8 4.254 10.247 -0.810 1.00 42.33 C ATOM 97 H LEU A 8 1.374 9.211 -2.222 1.00 11.42 H ATOM 98 HA LEU A 8 2.589 11.798 -2.041 1.00 35.20 H ATOM 99 HB2 LEU A 8 3.172 9.545 -3.956 1.00 45.14 H ATOM 100 HB3 LEU A 8 4.208 10.933 -3.630 1.00 25.13 H ATOM 101 HG LEU A 8 3.666 8.535 -1.918 1.00 42.04 H ATOM 102 HD11 LEU A 8 6.170 8.689 -1.707 1.00 53.45 H ATOM 103 HD12 LEU A 8 6.116 9.951 -2.938 1.00 64.44 H ATOM 104 HD13 LEU A 8 5.561 8.321 -3.322 1.00 1.35 H ATOM 105 HD21 LEU A 8 5.055 9.878 -0.187 1.00 64.03 H ATOM 106 HD22 LEU A 8 3.314 10.138 -0.289 1.00 51.43 H ATOM 107 HD23 LEU A 8 4.424 11.290 -1.035 1.00 35.22 H HETATM 108 N AIB A 9 0.622 11.129 -4.528 1.00 1.23 N HETATM 109 CA AIB A 9 -0.066 11.694 -5.682 1.00 71.23 C HETATM 110 C AIB A 9 -1.082 12.729 -5.212 1.00 50.52 C HETATM 111 O AIB A 9 -1.565 13.542 -6.000 1.00 44.13 O HETATM 112 CB1 AIB A 9 -0.786 10.582 -6.438 1.00 52.25 C HETATM 113 CB2 AIB A 9 0.950 12.360 -6.604 1.00 51.10 C HETATM 114 H AIB A 9 0.321 10.271 -4.164 1.00 74.21 H HETATM 115 HB11 AIB A 9 -1.139 10.961 -7.386 1.00 41.42 H HETATM 116 HB12 AIB A 9 -1.626 10.235 -5.855 1.00 22.04 H HETATM 117 HB13 AIB A 9 -0.104 9.763 -6.610 1.00 63.11 H HETATM 118 HB21 AIB A 9 0.598 12.311 -7.624 1.00 34.42 H HETATM 119 HB22 AIB A 9 1.898 11.848 -6.525 1.00 54.12 H HETATM 120 HB23 AIB A 9 1.074 13.393 -6.316 1.00 10.53 H HETATM 121 N AIB A 10 -1.402 12.694 -3.923 1.00 11.12 N HETATM 122 CA AIB A 10 -2.361 13.630 -3.348 1.00 22.13 C HETATM 123 C AIB A 10 -1.876 15.058 -3.574 1.00 25.24 C HETATM 124 O AIB A 10 -2.582 15.899 -4.129 1.00 15.34 O HETATM 125 CB1 AIB A 10 -2.491 13.368 -1.851 1.00 15.10 C HETATM 126 CB2 AIB A 10 -3.718 13.442 -4.017 1.00 13.40 C HETATM 127 H AIB A 10 -0.984 12.023 -3.345 1.00 24.22 H HETATM 128 HB11 AIB A 10 -3.536 13.272 -1.592 1.00 64.21 H HETATM 129 HB12 AIB A 10 -2.059 14.192 -1.302 1.00 70.24 H HETATM 130 HB13 AIB A 10 -1.972 12.455 -1.598 1.00 53.35 H HETATM 131 HB21 AIB A 10 -4.022 12.409 -3.932 1.00 11.51 H HETATM 132 HB22 AIB A 10 -3.646 13.712 -5.060 1.00 65.54 H HETATM 133 HB23 AIB A 10 -4.449 14.074 -3.533 1.00 23.54 H HETATM 134 N HYP A 11 -0.640 15.340 -3.134 1.00 31.10 N HETATM 135 CA HYP A 11 -0.032 16.666 -3.278 1.00 13.14 C HETATM 136 C HYP A 11 -0.032 17.150 -4.724 1.00 13.24 C HETATM 137 O HYP A 11 0.130 18.341 -4.988 1.00 64.13 O HETATM 138 CB HYP A 11 1.401 16.455 -2.785 1.00 23.55 C HETATM 139 CG HYP A 11 1.328 15.248 -1.914 1.00 63.20 C HETATM 140 CD HYP A 11 0.259 14.386 -2.463 1.00 72.43 C HETATM 141 OD1 HYP A 11 1.559 15.588 -0.541 1.00 41.43 O HETATM 142 HA HYP A 11 -0.525 17.398 -2.654 1.00 61.13 H HETATM 143 HB2 HYP A 11 2.055 16.294 -3.630 1.00 64.10 H HETATM 144 HB3 HYP A 11 1.727 17.322 -2.230 1.00 72.21 H HETATM 145 HG HYP A 11 2.059 14.525 -2.246 1.00 34.31 H HETATM 146 HD22 HYP A 11 0.533 13.581 -3.129 1.00 71.21 H HETATM 147 HD23 HYP A 11 -0.195 13.996 -1.564 1.00 74.11 H HETATM 148 HD1 HYP A 11 1.839 14.807 -0.060 1.00 24.51 H ATOM 149 N GLN A 12 -0.216 16.219 -5.654 1.00 50.44 N ATOM 150 CA GLN A 12 -0.237 16.553 -7.074 1.00 23.22 C ATOM 151 C GLN A 12 -1.646 16.922 -7.526 1.00 2.03 C ATOM 152 O GLN A 12 -1.831 17.522 -8.584 1.00 74.32 O ATOM 153 CB GLN A 12 0.286 15.378 -7.903 1.00 3.52 C ATOM 154 CG GLN A 12 1.802 15.264 -7.907 1.00 41.12 C ATOM 155 CD GLN A 12 2.472 16.417 -8.628 1.00 2.21 C ATOM 156 OE1 GLN A 12 2.526 16.448 -9.858 1.00 4.43 O ATOM 157 NE2 GLN A 12 2.987 17.374 -7.864 1.00 64.24 N ATOM 158 H GLN A 12 -0.340 15.287 -5.380 1.00 40.35 H ATOM 159 HA GLN A 12 0.410 17.404 -7.224 1.00 24.33 H ATOM 160 HB2 GLN A 12 -0.122 14.462 -7.504 1.00 25.31 H ATOM 161 HB3 GLN A 12 -0.047 15.497 -8.923 1.00 42.23 H ATOM 162 HG2 GLN A 12 2.152 15.247 -6.886 1.00 21.33 H ATOM 163 HG3 GLN A 12 2.079 14.342 -8.397 1.00 40.42 H ATOM 164 HE21 GLN A 12 2.908 17.282 -6.891 1.00 61.43 H ATOM 165 HE22 GLN A 12 3.427 18.130 -8.304 1.00 0.33 H HETATM 166 N DIV A 13 -2.636 16.559 -6.716 1.00 45.44 N HETATM 167 CA DIV A 13 -4.028 16.852 -7.034 1.00 11.35 C HETATM 168 CB1 DIV A 13 -4.389 16.217 -8.372 1.00 41.23 C HETATM 169 CG1 DIV A 13 -3.611 14.956 -8.678 1.00 2.23 C HETATM 170 CB2 DIV A 13 -4.929 16.284 -5.942 1.00 25.40 C HETATM 171 C DIV A 13 -4.223 18.362 -7.118 1.00 53.41 C HETATM 172 O DIV A 13 -4.769 18.889 -8.088 1.00 43.12 O HETATM 173 H DIV A 13 -2.424 16.084 -5.886 1.00 72.44 H HETATM 174 HB11 DIV A 13 -4.205 16.927 -9.165 1.00 2.30 H HETATM 175 HB12 DIV A 13 -5.441 15.974 -8.380 1.00 11.15 H HETATM 176 HG11 DIV A 13 -2.637 15.219 -9.063 1.00 64.32 H HETATM 177 HG12 DIV A 13 -4.144 14.374 -9.414 1.00 72.52 H HETATM 178 HG13 DIV A 13 -3.496 14.376 -7.774 1.00 40.20 H HETATM 179 HB21 DIV A 13 -5.227 17.076 -5.272 1.00 51.41 H HETATM 180 HB22 DIV A 13 -4.390 15.528 -5.389 1.00 13.34 H HETATM 181 HB23 DIV A 13 -5.806 15.843 -6.392 1.00 41.12 H HETATM 182 N HYP A 14 -3.768 19.077 -6.079 1.00 10.43 N HETATM 183 CA HYP A 14 -3.881 20.537 -6.012 1.00 41.51 C HETATM 184 C HYP A 14 -2.757 21.241 -6.766 1.00 74.31 C HETATM 185 O HYP A 14 -2.743 22.466 -6.876 1.00 10.34 O HETATM 186 CB HYP A 14 -3.786 20.833 -4.513 1.00 64.32 C HETATM 187 CG HYP A 14 -3.063 19.662 -3.942 1.00 33.33 C HETATM 188 CD HYP A 14 -3.107 18.516 -4.889 1.00 34.35 C HETATM 189 OD1 HYP A 14 -3.520 19.372 -2.615 1.00 13.44 O HETATM 190 HA HYP A 14 -4.834 20.879 -6.388 1.00 51.21 H HETATM 191 HB2 HYP A 14 -3.236 21.751 -4.359 1.00 31.32 H HETATM 192 HB3 HYP A 14 -4.777 20.926 -4.097 1.00 74.11 H HETATM 193 HG HYP A 14 -2.003 19.867 -3.934 1.00 20.33 H HETATM 194 HD22 HYP A 14 -2.126 18.138 -5.134 1.00 72.45 H HETATM 195 HD23 HYP A 14 -3.712 17.740 -4.443 1.00 72.40 H HETATM 196 HD1 HYP A 14 -4.048 18.571 -2.625 1.00 70.41 H HETATM 197 N AIB A 15 -1.818 20.457 -7.284 1.00 63.24 N HETATM 198 CA AIB A 15 -0.690 21.005 -8.029 1.00 13.23 C HETATM 199 C AIB A 15 -1.209 21.867 -9.175 1.00 61.32 C HETATM 200 O AIB A 15 -0.879 23.047 -9.296 1.00 33.22 O HETATM 201 CB1 AIB A 15 0.151 19.864 -8.590 1.00 42.14 C HETATM 202 CB2 AIB A 15 0.166 21.858 -7.099 1.00 10.32 C HETATM 203 H AIB A 15 -1.884 19.487 -7.164 1.00 33.25 H HETATM 204 HB11 AIB A 15 -0.203 18.925 -8.192 1.00 14.13 H HETATM 205 HB12 AIB A 15 1.184 20.007 -8.310 1.00 44.13 H HETATM 206 HB13 AIB A 15 0.069 19.852 -9.667 1.00 54.12 H HETATM 207 HB21 AIB A 15 0.972 22.306 -7.661 1.00 61.22 H HETATM 208 HB22 AIB A 15 0.575 21.237 -6.315 1.00 51.43 H HETATM 209 HB23 AIB A 15 -0.443 22.636 -6.661 1.00 63.32 H ATOM 210 N PRO A 16 -2.040 21.265 -10.039 1.00 33.02 N ATOM 211 CA PRO A 16 -2.623 21.959 -11.191 1.00 42.12 C ATOM 212 C PRO A 16 -3.173 23.333 -10.823 1.00 71.30 C ATOM 213 O PRO A 16 -3.163 24.256 -11.638 1.00 24.50 O ATOM 214 CB PRO A 16 -3.756 21.029 -11.630 1.00 35.23 C ATOM 215 CG PRO A 16 -3.345 19.679 -11.152 1.00 11.00 C ATOM 216 CD PRO A 16 -2.476 19.861 -9.957 1.00 33.15 C ATOM 217 HA PRO A 16 -1.908 22.062 -11.995 1.00 13.42 H ATOM 218 HB2 PRO A 16 -4.683 21.346 -11.172 1.00 20.43 H ATOM 219 HB3 PRO A 16 -3.853 21.054 -12.705 1.00 4.43 H ATOM 220 HG2 PRO A 16 -4.217 19.105 -10.877 1.00 50.31 H ATOM 221 HG3 PRO A 16 -2.788 19.171 -11.925 1.00 21.51 H ATOM 222 HD2 PRO A 16 -2.995 19.672 -9.029 1.00 34.05 H ATOM 223 HD3 PRO A 16 -1.637 19.190 -10.065 1.00 4.24 H HETATM 224 N PHL A 17 -3.653 23.462 -9.591 1.00 31.24 N HETATM 225 CA PHL A 17 -4.208 24.723 -9.115 1.00 14.53 C HETATM 226 C PHL A 17 -3.113 25.619 -8.543 1.00 62.23 C HETATM 227 O PHL A 17 -2.568 26.476 -9.555 1.00 35.24 O HETATM 228 CB PHL A 17 -5.278 24.466 -8.052 1.00 31.44 C HETATM 229 CG PHL A 17 -6.646 24.224 -8.624 1.00 2.35 C HETATM 230 CD1 PHL A 17 -7.195 22.952 -8.627 1.00 52.43 C HETATM 231 CD2 PHL A 17 -7.382 25.270 -9.158 1.00 21.50 C HETATM 232 CE1 PHL A 17 -8.454 22.727 -9.153 1.00 23.15 C HETATM 233 CE2 PHL A 17 -8.641 25.050 -9.684 1.00 41.21 C HETATM 234 CZ PHL A 17 -9.177 23.777 -9.683 1.00 10.34 C HETATM 235 H PHL A 17 -3.634 22.690 -8.987 1.00 20.42 H HETATM 236 HA PHL A 17 -4.663 25.223 -9.956 1.00 44.14 H HETATM 237 HC1 PHL A 17 -3.527 26.230 -7.755 1.00 55.24 H HETATM 238 HC2 PHL A 17 -2.320 25.002 -8.146 1.00 40.14 H HETATM 239 HO PHL A 17 -2.034 27.158 -9.142 1.00 40.45 H HETATM 240 HB2 PHL A 17 -5.001 23.595 -7.476 1.00 74.14 H HETATM 241 HB3 PHL A 17 -5.337 25.321 -7.396 1.00 52.20 H HETATM 242 HD1 PHL A 17 -6.630 22.129 -8.213 1.00 4.51 H HETATM 243 HD2 PHL A 17 -6.964 26.265 -9.161 1.00 43.40 H HETATM 244 HE1 PHL A 17 -8.870 21.730 -9.150 1.00 4.35 H HETATM 245 HE2 PHL A 17 -9.204 25.873 -10.098 1.00 54.12 H HETATM 246 HZ PHL A 17 -10.161 23.604 -10.093 1.00 24.53 H TER 247 PHL A 17