HETATM 1 C ACE A 1 1.462 0.956 -2.254 1.00 54.01 C HETATM 2 O ACE A 1 1.738 2.155 -2.219 1.00 4.21 O HETATM 3 CH3 ACE A 1 2.036 -0.001 -1.228 1.00 42.34 C HETATM 4 H1 ACE A 1 2.607 0.553 -0.498 1.00 14.11 H HETATM 5 H2 ACE A 1 2.679 -0.715 -1.721 1.00 42.25 H HETATM 6 H3 ACE A 1 1.231 -0.525 -0.733 1.00 53.35 H ATOM 7 N PHE A 2 0.660 0.426 -3.172 1.00 21.41 N ATOM 8 CA PHE A 2 0.047 1.240 -4.214 1.00 51.43 C ATOM 9 C PHE A 2 -0.913 2.262 -3.612 1.00 33.12 C ATOM 10 O PHE A 2 -0.787 3.463 -3.849 1.00 34.14 O ATOM 11 CB PHE A 2 -0.697 0.352 -5.214 1.00 42.30 C ATOM 12 CG PHE A 2 -1.002 1.039 -6.514 1.00 54.23 C ATOM 13 CD1 PHE A 2 -2.161 1.785 -6.663 1.00 63.14 C ATOM 14 CD2 PHE A 2 -0.131 0.940 -7.587 1.00 74.21 C ATOM 15 CE1 PHE A 2 -2.445 2.417 -7.859 1.00 44.31 C ATOM 16 CE2 PHE A 2 -0.410 1.570 -8.785 1.00 42.42 C ATOM 17 CZ PHE A 2 -1.568 2.311 -8.921 1.00 24.11 C ATOM 18 H PHE A 2 0.477 -0.537 -3.148 1.00 21.33 H ATOM 19 HA PHE A 2 0.836 1.766 -4.730 1.00 33.01 H ATOM 20 HB2 PHE A 2 -0.093 -0.516 -5.432 1.00 11.20 H ATOM 21 HB3 PHE A 2 -1.631 0.035 -4.777 1.00 15.42 H ATOM 22 HD1 PHE A 2 -2.847 1.870 -5.834 1.00 11.02 H ATOM 23 HD2 PHE A 2 0.775 0.361 -7.482 1.00 24.52 H ATOM 24 HE1 PHE A 2 -3.350 2.996 -7.963 1.00 34.04 H ATOM 25 HE2 PHE A 2 0.278 1.485 -9.613 1.00 63.01 H ATOM 26 HZ PHE A 2 -1.787 2.804 -9.856 1.00 74.21 H HETATM 27 N AIB A 3 -1.873 1.775 -2.832 1.00 71.22 N HETATM 28 CA AIB A 3 -2.855 2.644 -2.196 1.00 54.20 C HETATM 29 C AIB A 3 -2.136 3.741 -1.418 1.00 64.31 C HETATM 30 O AIB A 3 -2.454 4.922 -1.552 1.00 73.22 O HETATM 31 CB1 AIB A 3 -3.716 1.825 -1.241 1.00 35.43 C HETATM 32 CB2 AIB A 3 -3.742 3.277 -3.264 1.00 22.51 C HETATM 33 H AIB A 3 -1.922 0.808 -2.681 1.00 64.03 H HETATM 34 HB11 AIB A 3 -3.164 0.956 -0.913 1.00 10.52 H HETATM 35 HB12 AIB A 3 -4.616 1.509 -1.748 1.00 30.51 H HETATM 36 HB13 AIB A 3 -3.979 2.429 -0.385 1.00 33.43 H HETATM 37 HB21 AIB A 3 -4.097 2.510 -3.937 1.00 12.22 H HETATM 38 HB22 AIB A 3 -3.172 4.007 -3.819 1.00 24.21 H HETATM 39 HB23 AIB A 3 -4.584 3.760 -2.792 1.00 53.42 H HETATM 40 N AIB A 4 -1.163 3.341 -0.605 1.00 14.52 N HETATM 41 CA AIB A 4 -0.398 4.291 0.195 1.00 72.52 C HETATM 42 C AIB A 4 0.345 5.250 -0.729 1.00 11.25 C HETATM 43 O AIB A 4 0.469 6.439 -0.435 1.00 20.34 O HETATM 44 CB1 AIB A 4 0.607 3.534 1.057 1.00 13.44 C HETATM 45 CB2 AIB A 4 -1.346 5.080 1.092 1.00 61.31 C HETATM 46 H AIB A 4 -0.956 2.386 -0.541 1.00 1.10 H HETATM 47 HB11 AIB A 4 0.866 4.134 1.918 1.00 70.05 H HETATM 48 HB12 AIB A 4 1.496 3.331 0.479 1.00 31.33 H HETATM 49 HB13 AIB A 4 0.170 2.603 1.386 1.00 30.03 H HETATM 50 HB21 AIB A 4 -1.884 5.804 0.498 1.00 0.14 H HETATM 51 HB22 AIB A 4 -0.777 5.590 1.855 1.00 15.51 H HETATM 52 HB23 AIB A 4 -2.047 4.403 1.558 1.00 55.44 H HETATM 53 N AIB A 5 0.837 4.726 -1.846 1.00 64.11 N HETATM 54 CA AIB A 5 1.568 5.536 -2.813 1.00 4.33 C HETATM 55 C AIB A 5 0.708 6.723 -3.235 1.00 65.20 C HETATM 56 O AIB A 5 1.224 7.798 -3.539 1.00 54.22 O HETATM 57 CB1 AIB A 5 1.903 4.690 -4.036 1.00 72.43 C HETATM 58 CB2 AIB A 5 2.859 6.044 -2.178 1.00 13.12 C HETATM 59 H AIB A 5 0.706 3.772 -2.025 1.00 31.44 H HETATM 60 HB11 AIB A 5 2.975 4.630 -4.151 1.00 1.40 H HETATM 61 HB12 AIB A 5 1.471 5.143 -4.916 1.00 61.24 H HETATM 62 HB13 AIB A 5 1.499 3.696 -3.908 1.00 0.20 H HETATM 63 HB21 AIB A 5 3.507 6.440 -2.946 1.00 75.20 H HETATM 64 HB22 AIB A 5 3.356 5.230 -1.672 1.00 31.50 H HETATM 65 HB23 AIB A 5 2.627 6.822 -1.466 1.00 5.43 H HETATM 66 N DIV A 6 -0.605 6.519 -3.251 1.00 42.24 N HETATM 67 CA DIV A 6 -1.536 7.572 -3.637 1.00 14.45 C HETATM 68 CB1 DIV A 6 -1.368 7.882 -5.120 1.00 53.23 C HETATM 69 CG1 DIV A 6 -1.350 6.652 -6.001 1.00 41.21 C HETATM 70 CB2 DIV A 6 -2.965 7.109 -3.373 1.00 31.33 C HETATM 71 C DIV A 6 -1.250 8.828 -2.819 1.00 74.14 C HETATM 72 O DIV A 6 -1.426 9.947 -3.300 1.00 25.21 O HETATM 73 H DIV A 6 -0.955 5.640 -2.998 1.00 73.14 H HETATM 74 HB11 DIV A 6 -0.443 8.418 -5.270 1.00 65.10 H HETATM 75 HB12 DIV A 6 -2.178 8.518 -5.446 1.00 33.12 H HETATM 76 HG11 DIV A 6 -1.643 5.790 -5.421 1.00 75.41 H HETATM 77 HG12 DIV A 6 -0.353 6.502 -6.390 1.00 14.54 H HETATM 78 HG13 DIV A 6 -2.040 6.786 -6.821 1.00 43.32 H HETATM 79 HB21 DIV A 6 -3.643 7.641 -4.024 1.00 5.42 H HETATM 80 HB22 DIV A 6 -3.224 7.308 -2.343 1.00 61.23 H HETATM 81 HB23 DIV A 6 -3.041 6.048 -3.564 1.00 43.53 H ATOM 82 N GLY A 7 -0.809 8.634 -1.580 1.00 62.23 N ATOM 83 CA GLY A 7 -0.506 9.760 -0.716 1.00 64.51 C ATOM 84 C GLY A 7 0.448 10.746 -1.361 1.00 74.34 C ATOM 85 O GLY A 7 0.347 11.953 -1.141 1.00 0.45 O ATOM 86 H GLY A 7 -0.688 7.719 -1.250 1.00 61.24 H ATOM 87 HA2 GLY A 7 -1.425 10.270 -0.472 1.00 52.24 H ATOM 88 HA3 GLY A 7 -0.059 9.389 0.195 1.00 11.01 H ATOM 89 N LEU A 8 1.377 10.232 -2.160 1.00 75.01 N ATOM 90 CA LEU A 8 2.354 11.076 -2.839 1.00 32.11 C ATOM 91 C LEU A 8 1.717 11.809 -4.015 1.00 73.11 C ATOM 92 O LEU A 8 2.177 12.877 -4.416 1.00 52.42 O ATOM 93 CB LEU A 8 3.533 10.233 -3.327 1.00 3.01 C ATOM 94 CG LEU A 8 4.253 9.405 -2.262 1.00 12.04 C ATOM 95 CD1 LEU A 8 5.631 8.988 -2.750 1.00 42.15 C ATOM 96 CD2 LEU A 8 4.360 10.187 -0.961 1.00 3.23 C ATOM 97 H LEU A 8 1.407 9.263 -2.297 1.00 72.53 H ATOM 98 HA LEU A 8 2.713 11.805 -2.128 1.00 34.03 H ATOM 99 HB2 LEU A 8 3.165 9.554 -4.080 1.00 70.12 H ATOM 100 HB3 LEU A 8 4.256 10.903 -3.771 1.00 21.11 H ATOM 101 HG LEU A 8 3.683 8.507 -2.067 1.00 13.01 H ATOM 102 HD11 LEU A 8 5.529 8.240 -3.522 1.00 55.30 H ATOM 103 HD12 LEU A 8 6.197 8.580 -1.926 1.00 61.22 H ATOM 104 HD13 LEU A 8 6.147 9.849 -3.149 1.00 43.31 H ATOM 105 HD21 LEU A 8 5.188 9.807 -0.380 1.00 50.22 H ATOM 106 HD22 LEU A 8 3.445 10.076 -0.398 1.00 11.45 H ATOM 107 HD23 LEU A 8 4.524 11.231 -1.181 1.00 41.51 H HETATM 108 N AIB A 9 0.654 11.228 -4.562 1.00 61.23 N HETATM 109 CA AIB A 9 -0.048 11.827 -5.691 1.00 62.20 C HETATM 110 C AIB A 9 -1.014 12.891 -5.182 1.00 34.11 C HETATM 111 O AIB A 9 -1.492 13.727 -5.948 1.00 74.31 O HETATM 112 CB1 AIB A 9 -0.826 10.748 -6.436 1.00 72.33 C HETATM 113 CB2 AIB A 9 0.963 12.468 -6.636 1.00 1.43 C HETATM 114 H AIB A 9 0.335 10.376 -4.198 1.00 54.12 H HETATM 115 HB11 AIB A 9 -1.192 11.148 -7.370 1.00 60.24 H HETATM 116 HB12 AIB A 9 -1.661 10.424 -5.832 1.00 64.40 H HETATM 117 HB13 AIB A 9 -0.177 9.907 -6.634 1.00 52.31 H HETATM 118 HB21 AIB A 9 1.895 11.924 -6.590 1.00 12.14 H HETATM 119 HB22 AIB A 9 1.130 13.494 -6.341 1.00 43.03 H HETATM 120 HB23 AIB A 9 0.580 12.441 -7.645 1.00 51.51 H HETATM 121 N AIB A 10 -1.298 12.853 -3.884 1.00 4.40 N HETATM 122 CA AIB A 10 -2.207 13.815 -3.272 1.00 73.45 C HETATM 123 C AIB A 10 -1.681 15.228 -3.499 1.00 22.12 C HETATM 124 O AIB A 10 -2.375 16.098 -4.025 1.00 45.22 O HETATM 125 CB1 AIB A 10 -2.304 13.542 -1.775 1.00 62.31 C HETATM 126 CB2 AIB A 10 -3.589 13.680 -3.904 1.00 20.42 C HETATM 127 H AIB A 10 -0.885 12.163 -3.325 1.00 20.15 H HETATM 128 HB11 AIB A 10 -3.343 13.477 -1.487 1.00 43.41 H HETATM 129 HB12 AIB A 10 -1.828 14.345 -1.232 1.00 35.15 H HETATM 130 HB13 AIB A 10 -1.808 12.610 -1.546 1.00 73.34 H HETATM 131 HB21 AIB A 10 -4.284 14.328 -3.391 1.00 40.22 H HETATM 132 HB22 AIB A 10 -3.924 12.656 -3.822 1.00 0.24 H HETATM 133 HB23 AIB A 10 -3.537 13.959 -4.946 1.00 34.12 H HETATM 134 N HYP A 11 -0.425 15.464 -3.092 1.00 64.13 N HETATM 135 CA HYP A 11 0.223 16.770 -3.241 1.00 3.40 C HETATM 136 C HYP A 11 0.198 17.269 -4.682 1.00 11.53 C HETATM 137 O HYP A 11 0.392 18.457 -4.939 1.00 50.05 O HETATM 138 CB HYP A 11 1.663 16.506 -2.792 1.00 35.11 C HETATM 139 CG HYP A 11 1.574 15.293 -1.931 1.00 51.21 C HETATM 140 CD HYP A 11 0.460 14.473 -2.457 1.00 4.21 C HETATM 141 OD1 HYP A 11 1.805 15.620 -0.555 1.00 43.43 O HETATM 142 HA HYP A 11 -0.226 17.512 -2.597 1.00 32.35 H HETATM 143 HB2 HYP A 11 2.286 16.332 -3.658 1.00 2.23 H HETATM 144 HB3 HYP A 11 2.033 17.356 -2.239 1.00 60.11 H HETATM 145 HG HYP A 11 2.297 14.565 -2.267 1.00 31.40 H HETATM 146 HD22 HYP A 11 0.688 13.666 -3.138 1.00 10.52 H HETATM 147 HD23 HYP A 11 0.019 14.090 -1.549 1.00 22.34 H HETATM 148 HD1 HYP A 11 2.710 15.400 -0.321 1.00 51.43 H ATOM 149 N GLN A 12 -0.043 16.355 -5.616 1.00 3.03 N ATOM 150 CA GLN A 12 -0.093 16.704 -7.031 1.00 20.14 C ATOM 151 C GLN A 12 -1.501 17.127 -7.437 1.00 63.43 C ATOM 152 O GLN A 12 -1.696 17.745 -8.483 1.00 63.24 O ATOM 153 CB GLN A 12 0.364 15.521 -7.886 1.00 22.23 C ATOM 154 CG GLN A 12 1.874 15.355 -7.937 1.00 64.11 C ATOM 155 CD GLN A 12 2.583 16.608 -8.413 1.00 23.34 C ATOM 156 OE1 GLN A 12 2.394 17.050 -9.546 1.00 62.43 O ATOM 157 NE2 GLN A 12 3.405 17.188 -7.546 1.00 44.12 N ATOM 158 H GLN A 12 -0.189 15.425 -5.347 1.00 74.32 H ATOM 159 HA GLN A 12 0.579 17.533 -7.191 1.00 51.23 H ATOM 160 HB2 GLN A 12 -0.063 14.615 -7.483 1.00 22.50 H ATOM 161 HB3 GLN A 12 0.005 15.661 -8.895 1.00 11.25 H ATOM 162 HG2 GLN A 12 2.231 15.112 -6.947 1.00 41.31 H ATOM 163 HG3 GLN A 12 2.112 14.546 -8.612 1.00 53.03 H ATOM 164 HE21 GLN A 12 3.508 16.779 -6.661 1.00 13.22 H ATOM 165 HE22 GLN A 12 3.877 17.999 -7.827 1.00 62.43 H HETATM 166 N DIV A 13 -2.479 16.789 -6.604 1.00 21.44 N HETATM 167 CA DIV A 13 -3.869 17.133 -6.877 1.00 21.01 C HETATM 168 CB1 DIV A 13 -4.289 16.529 -8.213 1.00 30.23 C HETATM 169 CG1 DIV A 13 -3.564 15.246 -8.556 1.00 45.43 C HETATM 170 CB2 DIV A 13 -4.757 16.580 -5.767 1.00 52.33 C HETATM 171 C DIV A 13 -4.015 18.650 -6.937 1.00 25.22 C HETATM 172 O DIV A 13 -4.566 19.208 -7.886 1.00 2.14 O HETATM 173 H DIV A 13 -2.260 16.296 -5.785 1.00 55.03 H HETATM 174 HB11 DIV A 13 -4.103 17.243 -9.001 1.00 51.03 H HETATM 175 HB12 DIV A 13 -5.349 16.322 -8.193 1.00 23.31 H HETATM 176 HG11 DIV A 13 -3.441 14.652 -7.663 1.00 64.11 H HETATM 177 HG12 DIV A 13 -2.593 15.481 -8.969 1.00 14.12 H HETATM 178 HG13 DIV A 13 -4.139 14.691 -9.282 1.00 65.22 H HETATM 179 HB21 DIV A 13 -5.659 16.172 -6.198 1.00 73.51 H HETATM 180 HB22 DIV A 13 -5.013 17.375 -5.082 1.00 75.21 H HETATM 181 HB23 DIV A 13 -4.228 15.803 -5.236 1.00 1.33 H HETATM 182 N HYP A 14 -3.509 19.335 -5.900 1.00 70.51 N HETATM 183 CA HYP A 14 -3.570 20.796 -5.812 1.00 12.54 C HETATM 184 C HYP A 14 -2.451 21.472 -6.597 1.00 11.13 C HETATM 185 O HYP A 14 -2.402 22.698 -6.695 1.00 61.34 O HETATM 186 CB HYP A 14 -3.412 21.068 -4.314 1.00 1.15 C HETATM 187 CG HYP A 14 -2.706 19.868 -3.784 1.00 4.35 C HETATM 188 CD HYP A 14 -2.838 18.734 -4.735 1.00 13.23 C HETATM 189 OD1 HYP A 14 -3.071 19.615 -2.421 1.00 53.43 O HETATM 190 HA HYP A 14 -4.524 21.175 -6.149 1.00 32.21 H HETATM 191 HB2 HYP A 14 -2.830 21.967 -4.168 1.00 4.13 H HETATM 192 HB3 HYP A 14 -4.385 21.185 -3.860 1.00 42.45 H HETATM 193 HG HYP A 14 -1.639 20.020 -3.860 1.00 51.24 H HETATM 194 HD22 HYP A 14 -1.880 18.320 -5.012 1.00 74.11 H HETATM 195 HD23 HYP A 14 -3.461 17.978 -4.280 1.00 0.25 H HETATM 196 HD1 HYP A 14 -3.504 18.761 -2.359 1.00 63.50 H HETATM 197 N AIB A 15 -1.554 20.665 -7.154 1.00 35.33 N HETATM 198 CA AIB A 15 -0.436 21.185 -7.931 1.00 10.33 C HETATM 199 C AIB A 15 -0.965 22.073 -9.052 1.00 15.22 C HETATM 200 O AIB A 15 -0.610 23.246 -9.169 1.00 4.04 O HETATM 201 CB1 AIB A 15 0.351 20.024 -8.530 1.00 54.30 C HETATM 202 CB2 AIB A 15 0.477 22.003 -7.023 1.00 33.23 C HETATM 203 H AIB A 15 -1.647 19.696 -7.040 1.00 14.15 H HETATM 204 HB11 AIB A 15 0.227 20.022 -9.603 1.00 22.30 H HETATM 205 HB12 AIB A 15 -0.016 19.093 -8.123 1.00 44.32 H HETATM 206 HB13 AIB A 15 1.397 20.136 -8.288 1.00 63.22 H HETATM 207 HB21 AIB A 15 1.489 21.961 -7.398 1.00 33.14 H HETATM 208 HB22 AIB A 15 0.446 21.597 -6.022 1.00 44.22 H HETATM 209 HB23 AIB A 15 0.141 23.029 -7.005 1.00 44.33 H ATOM 210 N PRO A 16 -1.837 21.503 -9.897 1.00 65.15 N ATOM 211 CA PRO A 16 -2.434 22.225 -11.024 1.00 52.24 C ATOM 212 C PRO A 16 -3.503 23.217 -10.576 1.00 64.34 C ATOM 213 O PRO A 16 -3.975 24.035 -11.366 1.00 24.00 O ATOM 214 CB PRO A 16 -3.059 21.111 -11.868 1.00 43.35 C ATOM 215 CG PRO A 16 -3.331 20.011 -10.902 1.00 22.21 C ATOM 216 CD PRO A 16 -2.305 20.109 -9.818 1.00 55.33 C ATOM 217 HA PRO A 16 -1.685 22.743 -11.606 1.00 34.12 H ATOM 218 HB2 PRO A 16 -3.970 21.471 -12.326 1.00 62.30 H ATOM 219 HB3 PRO A 16 -2.363 20.801 -12.634 1.00 10.44 H ATOM 220 HG2 PRO A 16 -4.318 20.127 -10.481 1.00 2.40 H ATOM 221 HG3 PRO A 16 -3.244 19.056 -11.399 1.00 42.12 H ATOM 222 HD2 PRO A 16 -2.769 19.912 -8.863 1.00 25.12 H ATOM 223 HD3 PRO A 16 -1.494 19.419 -9.996 1.00 4.41 H HETATM 224 N PHL A 17 -3.880 23.139 -9.304 1.00 63.45 N HETATM 225 CA PHL A 17 -4.893 24.029 -8.752 1.00 12.35 C HETATM 226 C PHL A 17 -4.265 25.046 -7.803 1.00 43.34 C HETATM 227 O PHL A 17 -4.584 26.386 -8.200 1.00 64.11 O HETATM 228 CB PHL A 17 -5.964 23.223 -8.015 1.00 35.52 C HETATM 229 CG PHL A 17 -6.952 22.560 -8.932 1.00 33.21 C HETATM 230 CD1 PHL A 17 -7.638 23.298 -9.883 1.00 64.13 C HETATM 231 CD2 PHL A 17 -7.196 21.199 -8.842 1.00 61.21 C HETATM 232 CE1 PHL A 17 -8.547 22.691 -10.729 1.00 51.11 C HETATM 233 CE2 PHL A 17 -8.104 20.586 -9.685 1.00 43.53 C HETATM 234 CZ PHL A 17 -8.781 21.334 -10.629 1.00 70.31 C HETATM 235 H PHL A 17 -3.467 22.465 -8.724 1.00 3.00 H HETATM 236 HA PHL A 17 -5.353 24.557 -9.573 1.00 32.13 H HETATM 237 HC1 PHL A 17 -4.640 24.881 -6.804 1.00 62.21 H HETATM 238 HC2 PHL A 17 -3.191 24.927 -7.814 1.00 33.33 H HETATM 239 HO PHL A 17 -3.902 26.984 -7.885 1.00 51.21 H HETATM 240 HB2 PHL A 17 -5.486 22.451 -7.431 1.00 2.14 H HETATM 241 HB3 PHL A 17 -6.511 23.881 -7.356 1.00 62.42 H HETATM 242 HD1 PHL A 17 -7.455 24.361 -9.962 1.00 73.41 H HETATM 243 HD2 PHL A 17 -6.668 20.613 -8.104 1.00 1.21 H HETATM 244 HE1 PHL A 17 -9.075 23.279 -11.466 1.00 22.43 H HETATM 245 HE2 PHL A 17 -8.285 19.525 -9.605 1.00 11.00 H HETATM 246 HZ PHL A 17 -9.491 20.858 -11.289 1.00 65.42 H TER 247 PHL A 17