HETATM 1 C ACE A 1 1.496 0.934 -2.248 1.00 13.41 C HETATM 2 O ACE A 1 1.778 2.132 -2.224 1.00 4.54 O HETATM 3 CH3 ACE A 1 2.095 -0.022 -1.236 1.00 72.22 C HETATM 4 H1 ACE A 1 2.385 -0.936 -1.732 1.00 24.34 H HETATM 5 H2 ACE A 1 1.364 -0.243 -0.472 1.00 23.11 H HETATM 6 H3 ACE A 1 2.964 0.432 -0.782 1.00 11.35 H ATOM 7 N PHE A 2 0.667 0.405 -3.142 1.00 13.14 N ATOM 8 CA PHE A 2 0.028 1.220 -4.169 1.00 20.14 C ATOM 9 C PHE A 2 -0.911 2.247 -3.542 1.00 62.12 C ATOM 10 O PHE A 2 -0.787 3.447 -3.786 1.00 24.35 O ATOM 11 CB PHE A 2 -0.747 0.332 -5.145 1.00 1.51 C ATOM 12 CG PHE A 2 -1.088 1.018 -6.437 1.00 14.43 C ATOM 13 CD1 PHE A 2 -0.144 1.137 -7.444 1.00 13.51 C ATOM 14 CD2 PHE A 2 -2.354 1.544 -6.644 1.00 64.42 C ATOM 15 CE1 PHE A 2 -0.456 1.769 -8.633 1.00 62.11 C ATOM 16 CE2 PHE A 2 -2.671 2.176 -7.832 1.00 31.23 C ATOM 17 CZ PHE A 2 -1.721 2.288 -8.828 1.00 31.42 C ATOM 18 H PHE A 2 0.481 -0.557 -3.110 1.00 14.01 H ATOM 19 HA PHE A 2 0.804 1.741 -4.707 1.00 62.13 H ATOM 20 HB2 PHE A 2 -0.152 -0.538 -5.379 1.00 52.41 H ATOM 21 HB3 PHE A 2 -1.669 0.019 -4.680 1.00 73.31 H ATOM 22 HD1 PHE A 2 0.845 0.731 -7.294 1.00 3.43 H ATOM 23 HD2 PHE A 2 -3.098 1.456 -5.865 1.00 51.31 H ATOM 24 HE1 PHE A 2 0.289 1.855 -9.411 1.00 33.34 H ATOM 25 HE2 PHE A 2 -3.661 2.580 -7.980 1.00 54.13 H ATOM 26 HZ PHE A 2 -1.967 2.782 -9.756 1.00 22.41 H HETATM 27 N AIB A 3 -1.850 1.766 -2.735 1.00 35.31 N HETATM 28 CA AIB A 3 -2.811 2.641 -2.074 1.00 31.32 C HETATM 29 C AIB A 3 -2.065 3.736 -1.319 1.00 54.21 C HETATM 30 O AIB A 3 -2.383 4.918 -1.447 1.00 42.22 O HETATM 31 CB1 AIB A 3 -3.649 1.827 -1.093 1.00 5.13 C HETATM 32 CB2 AIB A 3 -3.724 3.274 -3.118 1.00 53.22 C HETATM 33 H AIB A 3 -1.899 0.799 -2.580 1.00 43.42 H HETATM 34 HB11 AIB A 3 -4.518 2.398 -0.802 1.00 72.21 H HETATM 35 HB12 AIB A 3 -3.058 1.600 -0.217 1.00 40.05 H HETATM 36 HB13 AIB A 3 -3.962 0.907 -1.564 1.00 14.32 H HETATM 37 HB21 AIB A 3 -4.596 3.687 -2.632 1.00 23.04 H HETATM 38 HB22 AIB A 3 -4.032 2.523 -3.831 1.00 23.03 H HETATM 39 HB23 AIB A 3 -3.192 4.061 -3.632 1.00 11.11 H HETATM 40 N AIB A 4 -1.072 3.335 -0.532 1.00 75.22 N HETATM 41 CA AIB A 4 -0.281 4.283 0.243 1.00 34.44 C HETATM 42 C AIB A 4 0.440 5.237 -0.703 1.00 34.12 C HETATM 43 O AIB A 4 0.577 6.426 -0.415 1.00 60.53 O HETATM 44 CB1 AIB A 4 0.744 3.524 1.080 1.00 41.44 C HETATM 45 CB2 AIB A 4 -1.200 5.078 1.165 1.00 75.14 C HETATM 46 H AIB A 4 -0.867 2.379 -0.472 1.00 31.32 H HETATM 47 HB11 AIB A 4 0.315 2.593 1.418 1.00 60.34 H HETATM 48 HB12 AIB A 4 1.025 4.122 1.934 1.00 51.41 H HETATM 49 HB13 AIB A 4 1.619 3.321 0.479 1.00 13.13 H HETATM 50 HB21 AIB A 4 -1.888 4.405 1.656 1.00 44.00 H HETATM 51 HB22 AIB A 4 -1.756 5.799 0.583 1.00 33.05 H HETATM 52 HB23 AIB A 4 -0.608 5.593 1.906 1.00 13.05 H HETATM 53 N AIB A 5 0.898 4.708 -1.832 1.00 64.14 N HETATM 54 CA AIB A 5 1.605 5.513 -2.821 1.00 65.11 C HETATM 55 C AIB A 5 0.739 6.702 -3.222 1.00 72.25 C HETATM 56 O AIB A 5 1.250 7.774 -3.544 1.00 14.33 O HETATM 57 CB1 AIB A 5 1.902 4.662 -4.051 1.00 64.22 C HETATM 58 CB2 AIB A 5 2.915 6.017 -2.224 1.00 11.04 C HETATM 59 H AIB A 5 0.758 3.754 -2.005 1.00 31.32 H HETATM 60 HB11 AIB A 5 1.498 3.670 -3.909 1.00 42.42 H HETATM 61 HB12 AIB A 5 2.971 4.598 -4.195 1.00 72.14 H HETATM 62 HB13 AIB A 5 1.448 5.115 -4.920 1.00 63.44 H HETATM 63 HB21 AIB A 5 3.538 6.418 -3.009 1.00 42.21 H HETATM 64 HB22 AIB A 5 3.428 5.199 -1.739 1.00 50.41 H HETATM 65 HB23 AIB A 5 2.706 6.790 -1.499 1.00 51.54 H HETATM 66 N DIV A 6 -0.575 6.504 -3.202 1.00 31.54 N HETATM 67 CA DIV A 6 -1.513 7.560 -3.563 1.00 61.55 C HETATM 68 CB1 DIV A 6 -1.385 7.865 -5.052 1.00 60.12 C HETATM 69 CG1 DIV A 6 -1.396 6.633 -5.930 1.00 34.41 C HETATM 70 CB2 DIV A 6 -2.936 7.102 -3.259 1.00 4.32 C HETATM 71 C DIV A 6 -1.199 8.816 -2.758 1.00 72.10 C HETATM 72 O DIV A 6 -1.383 9.934 -3.236 1.00 55.33 O HETATM 73 H DIV A 6 -0.922 5.626 -2.937 1.00 0.44 H HETATM 74 HB11 DIV A 6 -0.461 8.396 -5.229 1.00 55.21 H HETATM 75 HB12 DIV A 6 -2.201 8.503 -5.357 1.00 11.23 H HETATM 76 HG11 DIV A 6 -1.616 5.763 -5.327 1.00 44.44 H HETATM 77 HG12 DIV A 6 -0.429 6.513 -6.395 1.00 51.23 H HETATM 78 HG13 DIV A 6 -2.152 6.741 -6.693 1.00 53.44 H HETATM 79 HB21 DIV A 6 -3.636 7.719 -3.802 1.00 51.20 H HETATM 80 HB22 DIV A 6 -3.123 7.192 -2.199 1.00 73.00 H HETATM 81 HB23 DIV A 6 -3.055 6.072 -3.560 1.00 22.25 H ATOM 82 N GLY A 7 -0.724 8.623 -1.531 1.00 42.23 N ATOM 83 CA GLY A 7 -0.392 9.750 -0.679 1.00 32.12 C ATOM 84 C GLY A 7 0.546 10.731 -1.353 1.00 64.32 C ATOM 85 O GLY A 7 0.457 11.939 -1.133 1.00 14.32 O ATOM 86 H GLY A 7 -0.597 7.709 -1.202 1.00 73.55 H ATOM 87 HA2 GLY A 7 -1.303 10.265 -0.411 1.00 24.22 H ATOM 88 HA3 GLY A 7 0.078 9.380 0.220 1.00 23.14 H ATOM 89 N LEU A 8 1.451 10.211 -2.176 1.00 54.31 N ATOM 90 CA LEU A 8 2.412 11.050 -2.884 1.00 73.33 C ATOM 91 C LEU A 8 1.745 11.782 -4.044 1.00 53.11 C ATOM 92 O LEU A 8 2.198 12.848 -4.461 1.00 35.13 O ATOM 93 CB LEU A 8 3.574 10.201 -3.403 1.00 31.11 C ATOM 94 CG LEU A 8 4.319 9.372 -2.356 1.00 44.31 C ATOM 95 CD1 LEU A 8 5.682 8.949 -2.882 1.00 2.32 C ATOM 96 CD2 LEU A 8 4.466 10.157 -1.060 1.00 75.33 C ATOM 97 H LEU A 8 1.473 9.241 -2.312 1.00 3.45 H ATOM 98 HA LEU A 8 2.793 11.779 -2.185 1.00 41.13 H ATOM 99 HB2 LEU A 8 3.182 9.522 -4.144 1.00 60.42 H ATOM 100 HB3 LEU A 8 4.287 10.867 -3.868 1.00 73.14 H ATOM 101 HG LEU A 8 3.751 8.477 -2.144 1.00 25.12 H ATOM 102 HD11 LEU A 8 6.266 8.534 -2.075 1.00 3.13 H ATOM 103 HD12 LEU A 8 6.193 9.809 -3.291 1.00 33.51 H ATOM 104 HD13 LEU A 8 5.555 8.205 -3.655 1.00 13.33 H ATOM 105 HD21 LEU A 8 3.537 10.117 -0.509 1.00 44.15 H ATOM 106 HD22 LEU A 8 4.705 11.185 -1.287 1.00 44.55 H ATOM 107 HD23 LEU A 8 5.256 9.725 -0.465 1.00 64.24 H HETATM 108 N AIB A 9 0.665 11.204 -4.560 1.00 30.22 N HETATM 109 CA AIB A 9 -0.066 11.803 -5.670 1.00 61.30 C HETATM 110 C AIB A 9 -1.014 12.872 -5.137 1.00 21.22 C HETATM 111 O AIB A 9 -1.510 13.707 -5.892 1.00 11.54 O HETATM 112 CB1 AIB A 9 -0.869 10.725 -6.390 1.00 60.24 C HETATM 113 CB2 AIB A 9 0.921 12.438 -6.644 1.00 55.12 C HETATM 114 H AIB A 9 0.353 10.354 -4.185 1.00 15.44 H HETATM 115 HB11 AIB A 9 -1.680 10.396 -5.757 1.00 40.52 H HETATM 116 HB12 AIB A 9 -0.226 9.887 -6.615 1.00 62.23 H HETATM 117 HB13 AIB A 9 -1.270 11.128 -7.309 1.00 23.31 H HETATM 118 HB21 AIB A 9 1.851 11.891 -6.623 1.00 22.54 H HETATM 119 HB22 AIB A 9 1.100 13.464 -6.357 1.00 74.15 H HETATM 120 HB23 AIB A 9 0.509 12.410 -7.642 1.00 63.15 H HETATM 121 N AIB A 10 -1.261 12.839 -3.831 1.00 63.34 N HETATM 122 CA AIB A 10 -2.149 13.805 -3.197 1.00 73.11 C HETATM 123 C AIB A 10 -1.624 15.216 -3.442 1.00 31.41 C HETATM 124 O AIB A 10 -2.329 16.087 -3.951 1.00 10.21 O HETATM 125 CB1 AIB A 10 -2.205 13.536 -1.697 1.00 3.21 C HETATM 126 CB2 AIB A 10 -3.549 13.674 -3.789 1.00 64.41 C HETATM 127 H AIB A 10 -0.835 12.148 -3.282 1.00 12.11 H HETATM 128 HB11 AIB A 10 -1.707 12.603 -1.480 1.00 21.23 H HETATM 129 HB12 AIB A 10 -3.235 13.477 -1.380 1.00 34.13 H HETATM 130 HB13 AIB A 10 -1.711 14.339 -1.169 1.00 32.10 H HETATM 131 HB21 AIB A 10 -4.227 14.326 -3.259 1.00 5.20 H HETATM 132 HB22 AIB A 10 -3.885 12.652 -3.695 1.00 31.33 H HETATM 133 HB23 AIB A 10 -3.525 13.950 -4.833 1.00 33.11 H HETATM 134 N HYP A 11 -0.356 15.448 -3.072 1.00 30.25 N HETATM 135 CA HYP A 11 0.292 16.752 -3.242 1.00 23.53 C HETATM 136 C HYP A 11 0.228 17.247 -4.682 1.00 64.05 C HETATM 137 O HYP A 11 0.420 18.433 -4.949 1.00 14.12 O HETATM 138 CB HYP A 11 1.743 16.483 -2.833 1.00 34.45 C HETATM 139 CG HYP A 11 1.674 15.273 -1.966 1.00 74.53 C HETATM 140 CD HYP A 11 0.543 14.455 -2.459 1.00 13.45 C HETATM 141 OD1 HYP A 11 1.953 15.601 -0.600 1.00 34.03 O HETATM 142 HA HYP A 11 -0.136 17.496 -2.587 1.00 12.11 H HETATM 143 HB2 HYP A 11 2.341 16.304 -3.715 1.00 0.41 H HETATM 144 HB3 HYP A 11 2.132 17.333 -2.293 1.00 34.34 H HETATM 145 HG HYP A 11 2.380 14.538 -2.324 1.00 72.11 H HETATM 146 HD22 HYP A 11 0.748 13.646 -3.143 1.00 41.15 H HETATM 147 HD23 HYP A 11 0.126 14.076 -1.537 1.00 72.23 H HETATM 148 HD1 HYP A 11 1.590 16.466 -0.398 1.00 14.45 H ATOM 149 N GLN A 12 -0.042 16.331 -5.607 1.00 1.11 N ATOM 150 CA GLN A 12 -0.130 16.676 -7.021 1.00 14.52 C ATOM 151 C GLN A 12 -1.547 17.103 -7.389 1.00 55.50 C ATOM 152 O GLN A 12 -1.769 17.720 -8.431 1.00 34.41 O ATOM 153 CB GLN A 12 0.298 15.490 -7.885 1.00 62.42 C ATOM 154 CG GLN A 12 1.806 15.318 -7.978 1.00 73.25 C ATOM 155 CD GLN A 12 2.503 16.558 -8.502 1.00 61.33 C ATOM 156 OE1 GLN A 12 2.536 16.802 -9.709 1.00 5.43 O ATOM 157 NE2 GLN A 12 3.065 17.349 -7.596 1.00 30.22 N ATOM 158 H GLN A 12 -0.184 15.402 -5.332 1.00 34.00 H ATOM 159 HA GLN A 12 0.540 17.503 -7.203 1.00 33.15 H ATOM 160 HB2 GLN A 12 -0.121 14.586 -7.468 1.00 63.13 H ATOM 161 HB3 GLN A 12 -0.089 15.629 -8.884 1.00 24.30 H ATOM 162 HG2 GLN A 12 2.192 15.096 -6.995 1.00 34.44 H ATOM 163 HG3 GLN A 12 2.021 14.494 -8.643 1.00 35.34 H ATOM 164 HE21 GLN A 12 3.000 17.090 -6.652 1.00 53.02 H ATOM 165 HE22 GLN A 12 3.523 18.156 -7.906 1.00 40.44 H HETATM 166 N DIV A 13 -2.503 16.771 -6.527 1.00 51.42 N HETATM 167 CA DIV A 13 -3.899 17.120 -6.762 1.00 40.34 C HETATM 168 CB1 DIV A 13 -4.359 16.514 -8.084 1.00 44.33 C HETATM 169 CG1 DIV A 13 -3.648 15.228 -8.445 1.00 3.33 C HETATM 170 CB2 DIV A 13 -4.758 16.574 -5.627 1.00 22.12 C HETATM 171 C DIV A 13 -4.041 18.638 -6.822 1.00 64.52 C HETATM 172 O DIV A 13 -4.616 19.195 -7.757 1.00 13.54 O HETATM 173 H DIV A 13 -2.264 16.280 -5.714 1.00 4.20 H HETATM 174 HB11 DIV A 13 -4.192 17.226 -8.880 1.00 33.24 H HETATM 175 HB12 DIV A 13 -5.418 16.311 -8.034 1.00 51.21 H HETATM 176 HG11 DIV A 13 -2.689 15.458 -8.885 1.00 43.30 H HETATM 177 HG12 DIV A 13 -4.245 14.673 -9.153 1.00 10.13 H HETATM 178 HG13 DIV A 13 -3.502 14.636 -7.554 1.00 20.33 H HETATM 179 HB21 DIV A 13 -5.673 16.167 -6.031 1.00 51.31 H HETATM 180 HB22 DIV A 13 -4.992 17.371 -4.937 1.00 1.12 H HETATM 181 HB23 DIV A 13 -4.217 15.796 -5.108 1.00 44.22 H HETATM 182 N HYP A 14 -3.504 19.323 -5.802 1.00 23.01 N HETATM 183 CA HYP A 14 -3.557 20.785 -5.716 1.00 0.43 C HETATM 184 C HYP A 14 -2.458 21.455 -6.533 1.00 63.25 C HETATM 185 O HYP A 14 -2.407 22.680 -6.637 1.00 25.05 O HETATM 186 CB HYP A 14 -3.356 21.060 -4.223 1.00 41.33 C HETATM 187 CG HYP A 14 -2.640 19.859 -3.710 1.00 45.11 C HETATM 188 CD HYP A 14 -2.803 18.723 -4.654 1.00 43.22 C HETATM 189 OD1 HYP A 14 -3.212 19.406 -2.477 1.00 73.32 O HETATM 190 HA HYP A 14 -4.519 21.166 -6.027 1.00 45.43 H HETATM 191 HB2 HYP A 14 -2.766 21.957 -4.096 1.00 53.42 H HETATM 192 HB3 HYP A 14 -4.315 21.182 -3.744 1.00 13.44 H HETATM 193 HG HYP A 14 -1.596 20.100 -3.569 1.00 52.03 H HETATM 194 HD22 HYP A 14 -1.854 18.305 -4.957 1.00 75.43 H HETATM 195 HD23 HYP A 14 -3.415 17.971 -4.180 1.00 31.43 H HETATM 196 HD1 HYP A 14 -2.714 19.767 -1.740 1.00 63.54 H HETATM 197 N AIB A 15 -1.580 20.643 -7.114 1.00 32.55 N HETATM 198 CA AIB A 15 -0.482 21.157 -7.923 1.00 20.12 C HETATM 199 C AIB A 15 -1.039 22.044 -9.031 1.00 73.21 C HETATM 200 O AIB A 15 -0.683 23.215 -9.161 1.00 65.01 O HETATM 201 CB1 AIB A 15 0.283 19.991 -8.541 1.00 3.53 C HETATM 202 CB2 AIB A 15 0.459 21.973 -7.043 1.00 12.41 C HETATM 203 H AIB A 15 -1.674 19.675 -6.994 1.00 64.44 H HETATM 204 HB11 AIB A 15 1.337 20.100 -8.328 1.00 72.54 H HETATM 205 HB12 AIB A 15 0.130 19.987 -9.610 1.00 22.32 H HETATM 206 HB13 AIB A 15 -0.075 19.063 -8.122 1.00 20.24 H HETATM 207 HB21 AIB A 15 -0.117 22.522 -6.312 1.00 30.41 H HETATM 208 HB22 AIB A 15 1.015 22.667 -7.657 1.00 32.42 H HETATM 209 HB23 AIB A 15 1.145 21.310 -6.537 1.00 51.21 H ATOM 210 N PRO A 16 -1.936 21.475 -9.851 1.00 22.45 N ATOM 211 CA PRO A 16 -2.562 22.196 -10.962 1.00 51.13 C ATOM 212 C PRO A 16 -3.615 23.192 -10.487 1.00 63.04 C ATOM 213 O PRO A 16 -4.107 24.009 -11.266 1.00 4.21 O ATOM 214 CB PRO A 16 -3.213 21.082 -11.786 1.00 40.32 C ATOM 215 CG PRO A 16 -3.462 19.985 -10.810 1.00 10.02 C ATOM 216 CD PRO A 16 -2.407 20.083 -9.754 1.00 75.04 C ATOM 217 HA PRO A 16 -1.828 22.710 -11.565 1.00 40.23 H ATOM 218 HB2 PRO A 16 -4.135 21.444 -12.220 1.00 30.44 H ATOM 219 HB3 PRO A 16 -2.539 20.768 -12.569 1.00 54.33 H ATOM 220 HG2 PRO A 16 -4.437 20.106 -10.363 1.00 21.34 H ATOM 221 HG3 PRO A 16 -3.391 19.029 -11.307 1.00 34.21 H ATOM 222 HD2 PRO A 16 -2.845 19.890 -8.786 1.00 42.00 H ATOM 223 HD3 PRO A 16 -1.603 19.390 -9.952 1.00 73.43 H HETATM 224 N PHL A 17 -3.956 23.119 -9.205 1.00 71.42 N HETATM 225 CA PHL A 17 -4.951 24.014 -8.627 1.00 32.14 C HETATM 226 C PHL A 17 -4.440 24.629 -7.327 1.00 65.13 C HETATM 227 O PHL A 17 -4.723 23.779 -6.209 1.00 11.33 O HETATM 228 CB PHL A 17 -6.257 23.260 -8.367 1.00 72.25 C HETATM 229 CG PHL A 17 -7.030 22.952 -9.618 1.00 61.01 C HETATM 230 CD1 PHL A 17 -7.821 23.920 -10.216 1.00 3.13 C HETATM 231 CD2 PHL A 17 -6.966 21.694 -10.196 1.00 1.22 C HETATM 232 CE1 PHL A 17 -8.533 23.640 -11.367 1.00 2.22 C HETATM 233 CE2 PHL A 17 -7.675 21.409 -11.347 1.00 73.30 C HETATM 234 CZ PHL A 17 -8.461 22.382 -11.933 1.00 3.45 C HETATM 235 H PHL A 17 -3.529 22.446 -8.634 1.00 63.35 H HETATM 236 HA PHL A 17 -5.137 24.805 -9.337 1.00 20.24 H HETATM 237 HC1 PHL A 17 -3.371 24.768 -7.396 1.00 3.30 H HETATM 238 HC2 PHL A 17 -4.922 25.583 -7.171 1.00 24.43 H HETATM 239 HO PHL A 17 -4.473 24.225 -5.396 1.00 51.21 H HETATM 240 HB2 PHL A 17 -6.033 22.324 -7.878 1.00 12.12 H HETATM 241 HB3 PHL A 17 -6.887 23.856 -7.725 1.00 11.12 H HETATM 242 HD1 PHL A 17 -7.878 24.905 -9.773 1.00 60.14 H HETATM 243 HD2 PHL A 17 -6.353 20.931 -9.739 1.00 11.24 H HETATM 244 HE1 PHL A 17 -9.146 24.404 -11.822 1.00 2.12 H HETATM 245 HE2 PHL A 17 -7.618 20.424 -11.787 1.00 44.43 H HETATM 246 HZ PHL A 17 -9.016 22.162 -12.832 1.00 64.11 H TER 247 PHL A 17