HETATM 1 C ACE A 1 1.468 0.952 -2.249 1.00 3.51 C HETATM 2 O ACE A 1 1.750 2.151 -2.217 1.00 70.41 O HETATM 3 CH3 ACE A 1 2.052 -0.007 -1.231 1.00 5.53 C HETATM 4 H1 ACE A 1 1.298 -0.717 -0.929 1.00 74.03 H HETATM 5 H2 ACE A 1 2.392 0.547 -0.367 1.00 71.44 H HETATM 6 H3 ACE A 1 2.887 -0.534 -1.670 1.00 45.13 H ATOM 7 N PHE A 2 0.653 0.425 -3.157 1.00 3.25 N ATOM 8 CA PHE A 2 0.030 1.242 -4.191 1.00 11.41 C ATOM 9 C PHE A 2 -0.919 2.267 -3.576 1.00 40.22 C ATOM 10 O PHE A 2 -0.792 3.468 -3.814 1.00 62.24 O ATOM 11 CB PHE A 2 -0.730 0.357 -5.181 1.00 45.24 C ATOM 12 CG PHE A 2 -1.056 1.048 -6.475 1.00 24.13 C ATOM 13 CD1 PHE A 2 -0.052 1.610 -7.247 1.00 70.13 C ATOM 14 CD2 PHE A 2 -2.365 1.135 -6.918 1.00 73.40 C ATOM 15 CE1 PHE A 2 -0.350 2.247 -8.437 1.00 64.44 C ATOM 16 CE2 PHE A 2 -2.669 1.770 -8.108 1.00 21.24 C ATOM 17 CZ PHE A 2 -1.659 2.326 -8.869 1.00 34.43 C ATOM 18 H PHE A 2 0.467 -0.537 -3.130 1.00 62.12 H ATOM 19 HA PHE A 2 0.814 1.765 -4.716 1.00 50.34 H ATOM 20 HB2 PHE A 2 -0.129 -0.510 -5.411 1.00 75.33 H ATOM 21 HB3 PHE A 2 -1.657 0.039 -4.730 1.00 53.13 H ATOM 22 HD1 PHE A 2 0.973 1.548 -6.912 1.00 71.01 H ATOM 23 HD2 PHE A 2 -3.156 0.700 -6.323 1.00 73.41 H ATOM 24 HE1 PHE A 2 0.442 2.680 -9.031 1.00 14.12 H ATOM 25 HE2 PHE A 2 -3.694 1.830 -8.442 1.00 32.44 H ATOM 26 HZ PHE A 2 -1.894 2.823 -9.798 1.00 33.22 H HETATM 27 N AIB A 3 -1.870 1.783 -2.785 1.00 15.35 N HETATM 28 CA AIB A 3 -2.842 2.656 -2.136 1.00 4.12 C HETATM 29 C AIB A 3 -2.108 3.750 -1.367 1.00 31.10 C HETATM 30 O AIB A 3 -2.424 4.932 -1.497 1.00 12.12 O HETATM 31 CB1 AIB A 3 -3.693 1.839 -1.170 1.00 14.42 C HETATM 32 CB2 AIB A 3 -3.739 3.292 -3.192 1.00 72.23 C HETATM 33 H AIB A 3 -1.921 0.817 -2.633 1.00 65.42 H HETATM 34 HB11 AIB A 3 -4.276 2.506 -0.552 1.00 14.22 H HETATM 35 HB12 AIB A 3 -3.051 1.238 -0.544 1.00 20.32 H HETATM 36 HB13 AIB A 3 -4.356 1.196 -1.730 1.00 22.24 H HETATM 37 HB21 AIB A 3 -4.045 2.540 -3.905 1.00 24.11 H HETATM 38 HB22 AIB A 3 -3.196 4.073 -3.704 1.00 21.25 H HETATM 39 HB23 AIB A 3 -4.613 3.713 -2.716 1.00 65.25 H HETATM 40 N AIB A 4 -1.127 3.347 -0.566 1.00 70.00 N HETATM 41 CA AIB A 4 -0.348 4.293 0.224 1.00 54.11 C HETATM 42 C AIB A 4 0.386 5.250 -0.709 1.00 4.34 C HETATM 43 O AIB A 4 0.518 6.438 -0.416 1.00 44.32 O HETATM 44 CB1 AIB A 4 0.665 3.533 1.074 1.00 53.23 C HETATM 45 CB2 AIB A 4 -1.282 5.086 1.133 1.00 21.51 C HETATM 46 H AIB A 4 -0.922 2.391 -0.505 1.00 71.21 H HETATM 47 HB11 AIB A 4 1.564 3.366 0.499 1.00 54.32 H HETATM 48 HB12 AIB A 4 0.245 2.583 1.370 1.00 2.22 H HETATM 49 HB13 AIB A 4 0.903 4.112 1.954 1.00 54.21 H HETATM 50 HB21 AIB A 4 -1.976 4.411 1.613 1.00 65.12 H HETATM 51 HB22 AIB A 4 -1.830 5.807 0.545 1.00 3.34 H HETATM 52 HB23 AIB A 4 -0.701 5.600 1.885 1.00 74.42 H HETATM 53 N AIB A 5 0.863 4.724 -1.832 1.00 51.43 N HETATM 54 CA AIB A 5 1.585 5.532 -2.808 1.00 14.41 C HETATM 55 C AIB A 5 0.724 6.722 -3.219 1.00 53.11 C HETATM 56 O AIB A 5 1.239 7.796 -3.529 1.00 72.35 O HETATM 57 CB1 AIB A 5 1.900 4.685 -4.036 1.00 24.12 C HETATM 58 CB2 AIB A 5 2.885 6.035 -2.189 1.00 53.34 C HETATM 59 H AIB A 5 0.726 3.771 -2.009 1.00 72.43 H HETATM 60 HB11 AIB A 5 1.495 3.693 -3.903 1.00 34.13 H HETATM 61 HB12 AIB A 5 2.971 4.622 -4.164 1.00 71.30 H HETATM 62 HB13 AIB A 5 1.459 5.140 -4.910 1.00 63.15 H HETATM 63 HB21 AIB A 5 3.387 5.218 -1.693 1.00 41.12 H HETATM 64 HB22 AIB A 5 2.665 6.812 -1.472 1.00 21.03 H HETATM 65 HB23 AIB A 5 3.523 6.432 -2.965 1.00 54.23 H HETATM 66 N DIV A 6 -0.590 6.523 -3.219 1.00 14.31 N HETATM 67 CA DIV A 6 -1.523 7.580 -3.592 1.00 20.00 C HETATM 68 CB1 DIV A 6 -1.373 7.889 -5.078 1.00 3.43 C HETATM 69 CG1 DIV A 6 -1.370 6.659 -5.959 1.00 11.42 C HETATM 70 CB2 DIV A 6 -2.950 7.122 -3.310 1.00 21.50 C HETATM 71 C DIV A 6 -1.222 8.834 -2.779 1.00 1.35 C HETATM 72 O DIV A 6 -1.399 9.954 -3.257 1.00 23.12 O HETATM 73 H DIV A 6 -0.941 5.645 -2.962 1.00 2.33 H HETATM 74 HB11 DIV A 6 -0.447 8.422 -5.239 1.00 70.33 H HETATM 75 HB12 DIV A 6 -2.185 8.528 -5.393 1.00 4.01 H HETATM 76 HG11 DIV A 6 -0.584 5.991 -5.641 1.00 61.40 H HETATM 77 HG12 DIV A 6 -1.201 6.952 -6.985 1.00 31.24 H HETATM 78 HG13 DIV A 6 -2.323 6.158 -5.880 1.00 33.13 H HETATM 79 HB21 DIV A 6 -3.646 7.830 -3.733 1.00 51.34 H HETATM 80 HB22 DIV A 6 -3.104 7.059 -2.243 1.00 3.32 H HETATM 81 HB23 DIV A 6 -3.110 6.150 -3.754 1.00 13.10 H ATOM 82 N GLY A 7 -0.766 8.638 -1.545 1.00 4.50 N ATOM 83 CA GLY A 7 -0.447 9.763 -0.685 1.00 33.14 C ATOM 84 C GLY A 7 0.502 10.745 -1.342 1.00 14.42 C ATOM 85 O GLY A 7 0.409 11.953 -1.120 1.00 15.44 O ATOM 86 H GLY A 7 -0.644 7.723 -1.217 1.00 33.14 H ATOM 87 HA2 GLY A 7 -1.362 10.277 -0.429 1.00 42.25 H ATOM 88 HA3 GLY A 7 0.009 9.391 0.221 1.00 61.41 H ATOM 89 N LEU A 8 1.418 10.228 -2.152 1.00 5.11 N ATOM 90 CA LEU A 8 2.391 11.068 -2.843 1.00 15.31 C ATOM 91 C LEU A 8 1.742 11.804 -4.011 1.00 74.21 C ATOM 92 O LEU A 8 2.201 12.871 -4.418 1.00 31.52 O ATOM 93 CB LEU A 8 3.561 10.221 -3.346 1.00 35.24 C ATOM 94 CG LEU A 8 4.291 9.391 -2.289 1.00 75.53 C ATOM 95 CD1 LEU A 8 5.661 8.968 -2.796 1.00 34.51 C ATOM 96 CD2 LEU A 8 4.418 10.173 -0.990 1.00 43.15 C ATOM 97 H LEU A 8 1.443 9.259 -2.290 1.00 23.45 H ATOM 98 HA LEU A 8 2.761 11.796 -2.136 1.00 60.12 H ATOM 99 HB2 LEU A 8 3.180 9.543 -4.094 1.00 21.21 H ATOM 100 HB3 LEU A 8 4.280 10.888 -3.799 1.00 60.21 H ATOM 101 HG LEU A 8 3.719 8.495 -2.086 1.00 43.04 H ATOM 102 HD11 LEU A 8 6.173 9.824 -3.207 1.00 55.31 H ATOM 103 HD12 LEU A 8 5.545 8.215 -3.562 1.00 54.41 H ATOM 104 HD13 LEU A 8 6.237 8.561 -1.978 1.00 1.24 H ATOM 105 HD21 LEU A 8 4.582 11.217 -1.214 1.00 63.24 H ATOM 106 HD22 LEU A 8 5.254 9.792 -0.421 1.00 73.32 H ATOM 107 HD23 LEU A 8 3.511 10.066 -0.415 1.00 51.11 H HETATM 108 N AIB A 9 0.670 11.227 -4.545 1.00 31.02 N HETATM 109 CA AIB A 9 -0.044 11.829 -5.665 1.00 24.23 C HETATM 110 C AIB A 9 -1.000 12.897 -5.144 1.00 24.45 C HETATM 111 O AIB A 9 -1.484 13.734 -5.904 1.00 10.33 O HETATM 112 CB1 AIB A 9 -0.835 10.753 -6.400 1.00 75.22 C HETATM 113 CB2 AIB A 9 0.958 12.467 -6.622 1.00 32.51 C HETATM 114 H AIB A 9 0.352 10.377 -4.177 1.00 33.42 H HETATM 115 HB11 AIB A 9 -1.651 10.417 -5.777 1.00 73.02 H HETATM 116 HB12 AIB A 9 -0.187 9.919 -6.625 1.00 20.23 H HETATM 117 HB13 AIB A 9 -1.229 11.161 -7.320 1.00 21.53 H HETATM 118 HB21 AIB A 9 0.562 12.441 -7.627 1.00 22.05 H HETATM 119 HB22 AIB A 9 1.888 11.919 -6.587 1.00 60.22 H HETATM 120 HB23 AIB A 9 1.133 13.491 -6.330 1.00 14.53 H HETATM 121 N AIB A 10 -1.267 12.860 -3.842 1.00 43.12 N HETATM 122 CA AIB A 10 -2.165 13.825 -3.219 1.00 60.23 C HETATM 123 C AIB A 10 -1.636 15.236 -3.452 1.00 41.12 C HETATM 124 O AIB A 10 -2.333 16.109 -3.970 1.00 2.12 O HETATM 125 CB1 AIB A 10 -2.244 13.552 -1.721 1.00 3.31 C HETATM 126 CB2 AIB A 10 -3.555 13.695 -3.833 1.00 40.33 C HETATM 127 H AIB A 10 -0.850 12.168 -3.288 1.00 2.11 H HETATM 128 HB11 AIB A 10 -1.749 12.618 -1.498 1.00 52.33 H HETATM 129 HB12 AIB A 10 -3.279 13.492 -1.420 1.00 12.11 H HETATM 130 HB13 AIB A 10 -1.759 14.354 -1.183 1.00 64.42 H HETATM 131 HB21 AIB A 10 -3.515 13.974 -4.876 1.00 14.21 H HETATM 132 HB22 AIB A 10 -4.241 14.347 -3.312 1.00 61.41 H HETATM 133 HB23 AIB A 10 -3.893 12.673 -3.747 1.00 1.24 H HETATM 134 N HYP A 11 -0.374 15.467 -3.062 1.00 3.24 N HETATM 135 CA HYP A 11 0.277 16.771 -3.218 1.00 42.24 C HETATM 136 C HYP A 11 0.236 17.270 -4.659 1.00 12.44 C HETATM 137 O HYP A 11 0.431 18.457 -4.919 1.00 3.21 O HETATM 138 CB HYP A 11 1.721 16.501 -2.787 1.00 50.14 C HETATM 139 CG HYP A 11 1.638 15.289 -1.925 1.00 65.25 C HETATM 140 CD HYP A 11 0.515 14.473 -2.437 1.00 43.03 C HETATM 141 OD1 HYP A 11 1.957 15.602 -0.564 1.00 1.20 O HETATM 142 HA HYP A 11 -0.161 17.514 -2.568 1.00 53.24 H HETATM 143 HB2 HYP A 11 2.333 16.325 -3.661 1.00 1.12 H HETATM 144 HB3 HYP A 11 2.102 17.350 -2.239 1.00 74.32 H HETATM 145 HG HYP A 11 2.316 14.537 -2.303 1.00 0.14 H HETATM 146 HD22 HYP A 11 0.731 13.666 -3.121 1.00 64.42 H HETATM 147 HD23 HYP A 11 0.084 14.091 -1.524 1.00 0.13 H HETATM 148 HD1 HYP A 11 1.197 16.011 -0.143 1.00 44.41 H ATOM 149 N GLN A 12 -0.020 16.357 -5.590 1.00 31.15 N ATOM 150 CA GLN A 12 -0.087 16.706 -7.004 1.00 23.03 C ATOM 151 C GLN A 12 -1.498 17.134 -7.393 1.00 2.11 C ATOM 152 O GLN A 12 -1.704 17.753 -8.436 1.00 65.15 O ATOM 153 CB GLN A 12 0.355 15.521 -7.864 1.00 42.25 C ATOM 154 CG GLN A 12 1.864 15.349 -7.935 1.00 0.54 C ATOM 155 CD GLN A 12 2.513 16.294 -8.927 1.00 24.12 C ATOM 156 OE1 GLN A 12 2.665 15.968 -10.105 1.00 35.45 O ATOM 157 NE2 GLN A 12 2.902 17.473 -8.455 1.00 73.03 N ATOM 158 H GLN A 12 -0.167 15.427 -5.319 1.00 51.12 H ATOM 159 HA GLN A 12 0.586 17.533 -7.173 1.00 23.21 H ATOM 160 HB2 GLN A 12 -0.070 14.617 -7.456 1.00 72.45 H ATOM 161 HB3 GLN A 12 -0.016 15.663 -8.869 1.00 1.12 H ATOM 162 HG2 GLN A 12 2.281 15.538 -6.956 1.00 50.14 H ATOM 163 HG3 GLN A 12 2.084 14.334 -8.229 1.00 22.12 H ATOM 164 HE21 GLN A 12 2.750 17.664 -7.505 1.00 63.24 H ATOM 165 HE22 GLN A 12 3.325 18.102 -9.074 1.00 40.43 H HETATM 166 N DIV A 13 -2.467 16.800 -6.547 1.00 23.12 N HETATM 167 CA DIV A 13 -3.859 17.150 -6.803 1.00 22.42 C HETATM 168 CB1 DIV A 13 -4.298 16.547 -8.133 1.00 42.02 C HETATM 169 CG1 DIV A 13 -3.582 15.262 -8.486 1.00 25.12 C HETATM 170 CB2 DIV A 13 -4.735 16.600 -5.682 1.00 52.31 C HETATM 171 C DIV A 13 -3.999 18.667 -6.861 1.00 34.01 C HETATM 172 O DIV A 13 -4.560 19.227 -7.803 1.00 14.43 O HETATM 173 H DIV A 13 -2.240 16.307 -5.731 1.00 60.43 H HETATM 174 HB11 DIV A 13 -4.119 17.261 -8.924 1.00 71.51 H HETATM 175 HB12 DIV A 13 -5.358 16.344 -8.100 1.00 60.11 H HETATM 176 HG11 DIV A 13 -2.616 15.493 -8.911 1.00 22.13 H HETATM 177 HG12 DIV A 13 -4.168 14.708 -9.204 1.00 42.54 H HETATM 178 HG13 DIV A 13 -3.450 14.667 -7.594 1.00 64.02 H HETATM 179 HB21 DIV A 13 -5.644 16.195 -6.102 1.00 31.04 H HETATM 180 HB22 DIV A 13 -4.980 17.396 -4.994 1.00 22.23 H HETATM 181 HB23 DIV A 13 -4.202 15.821 -5.157 1.00 52.22 H HETATM 182 N HYP A 14 -3.478 19.350 -5.831 1.00 32.23 N HETATM 183 CA HYP A 14 -3.533 20.812 -5.742 1.00 22.15 C HETATM 184 C HYP A 14 -2.421 21.483 -6.541 1.00 0.35 C HETATM 185 O HYP A 14 -2.368 22.709 -6.640 1.00 31.33 O HETATM 186 CB HYP A 14 -3.355 21.083 -4.246 1.00 23.05 C HETATM 187 CG HYP A 14 -2.646 19.880 -3.724 1.00 54.54 C HETATM 188 CD HYP A 14 -2.795 18.747 -4.674 1.00 31.12 C HETATM 189 OD1 HYP A 14 -2.981 19.640 -2.352 1.00 1.53 O HETATM 190 HA HYP A 14 -4.489 21.194 -6.067 1.00 34.21 H HETATM 191 HB2 HYP A 14 -2.767 21.980 -4.107 1.00 71.31 H HETATM 192 HB3 HYP A 14 -4.321 21.204 -3.780 1.00 74.04 H HETATM 193 HG HYP A 14 -1.581 20.022 -3.828 1.00 62.14 H HETATM 194 HD22 HYP A 14 -1.842 18.329 -4.963 1.00 54.02 H HETATM 195 HD23 HYP A 14 -3.415 17.993 -4.211 1.00 1.22 H HETATM 196 HD1 HYP A 14 -2.359 19.013 -1.975 1.00 40.53 H HETATM 197 N AIB A 15 -1.535 20.672 -7.109 1.00 44.41 N HETATM 198 CA AIB A 15 -0.424 21.189 -7.900 1.00 30.31 C HETATM 199 C AIB A 15 -0.964 22.078 -9.015 1.00 11.44 C HETATM 200 O AIB A 15 -0.605 23.250 -9.136 1.00 74.11 O HETATM 201 CB1 AIB A 15 0.351 20.025 -8.509 1.00 32.22 C HETATM 202 CB2 AIB A 15 0.503 22.003 -7.004 1.00 10.04 C HETATM 203 H AIB A 15 -1.630 19.704 -6.994 1.00 0.22 H HETATM 204 HB11 AIB A 15 1.401 20.132 -8.280 1.00 12.31 H HETATM 205 HB12 AIB A 15 0.214 20.023 -9.580 1.00 62.31 H HETATM 206 HB13 AIB A 15 -0.014 19.095 -8.098 1.00 10.15 H HETATM 207 HB21 AIB A 15 -0.085 22.557 -6.287 1.00 3.24 H HETATM 208 HB22 AIB A 15 1.076 22.691 -7.608 1.00 74.12 H HETATM 209 HB23 AIB A 15 1.175 21.338 -6.481 1.00 74.34 H ATOM 210 N PRO A 16 -1.848 21.511 -9.849 1.00 42.32 N ATOM 211 CA PRO A 16 -2.457 22.236 -10.969 1.00 22.52 C ATOM 212 C PRO A 16 -3.516 23.231 -10.508 1.00 32.33 C ATOM 213 O PRO A 16 -3.996 24.050 -11.292 1.00 31.41 O ATOM 214 CB PRO A 16 -3.095 21.124 -11.805 1.00 74.20 C ATOM 215 CG PRO A 16 -3.360 20.024 -10.835 1.00 44.41 C ATOM 216 CD PRO A 16 -2.321 20.119 -9.764 1.00 1.41 C ATOM 217 HA PRO A 16 -1.713 22.751 -11.559 1.00 74.33 H ATOM 218 HB2 PRO A 16 -4.011 21.486 -12.252 1.00 3.45 H ATOM 219 HB3 PRO A 16 -2.410 20.811 -12.579 1.00 11.45 H ATOM 220 HG2 PRO A 16 -4.341 20.144 -10.402 1.00 40.33 H ATOM 221 HG3 PRO A 16 -3.282 19.069 -11.333 1.00 43.33 H ATOM 222 HD2 PRO A 16 -2.773 19.924 -8.803 1.00 21.02 H ATOM 223 HD3 PRO A 16 -1.514 19.426 -9.951 1.00 42.52 H HETATM 224 N PHL A 17 -3.877 23.155 -9.231 1.00 23.11 N HETATM 225 CA PHL A 17 -4.880 24.049 -8.666 1.00 12.35 C HETATM 226 C PHL A 17 -4.276 24.921 -7.568 1.00 61.34 C HETATM 227 O PHL A 17 -4.830 26.242 -7.597 1.00 4.13 O HETATM 228 CB PHL A 17 -6.054 23.244 -8.104 1.00 63.31 C HETATM 229 CG PHL A 17 -6.917 22.623 -9.165 1.00 41.12 C HETATM 230 CD1 PHL A 17 -6.947 21.249 -9.336 1.00 71.51 C HETATM 231 CD2 PHL A 17 -7.698 23.415 -9.992 1.00 62.41 C HETATM 232 CE1 PHL A 17 -7.741 20.674 -10.311 1.00 44.23 C HETATM 233 CE2 PHL A 17 -8.493 22.846 -10.969 1.00 35.04 C HETATM 234 CZ PHL A 17 -8.514 21.474 -11.129 1.00 50.23 C HETATM 235 H PHL A 17 -3.458 22.481 -8.655 1.00 71.32 H HETATM 236 HA PHL A 17 -5.239 24.687 -9.458 1.00 71.05 H HETATM 237 HC1 PHL A 17 -4.484 24.477 -6.606 1.00 20.10 H HETATM 238 HC2 PHL A 17 -3.208 24.988 -7.715 1.00 21.11 H HETATM 239 HO PHL A 17 -5.784 26.188 -7.683 1.00 71.21 H HETATM 240 HB2 PHL A 17 -5.671 22.449 -7.482 1.00 64.21 H HETATM 241 HB3 PHL A 17 -6.675 23.895 -7.508 1.00 21.53 H HETATM 242 HD1 PHL A 17 -6.342 20.621 -8.696 1.00 43.45 H HETATM 243 HD2 PHL A 17 -7.682 24.488 -9.869 1.00 30.55 H HETATM 244 HE1 PHL A 17 -7.754 19.601 -10.434 1.00 11.30 H HETATM 245 HE2 PHL A 17 -9.097 23.474 -11.607 1.00 71.31 H HETATM 246 HZ PHL A 17 -9.135 21.028 -11.891 1.00 71.32 H TER 247 PHL A 17