HETATM 1 C ACE A 1 1.702 0.899 -2.096 1.00 73.22 C HETATM 2 O ACE A 1 1.942 2.106 -2.068 1.00 72.01 O HETATM 3 CH3 ACE A 1 2.289 -0.031 -1.053 1.00 31.00 C HETATM 4 H1 ACE A 1 2.335 -1.034 -1.449 1.00 31.53 H HETATM 5 H2 ACE A 1 1.668 -0.020 -0.170 1.00 32.35 H HETATM 6 H3 ACE A 1 3.285 0.300 -0.796 1.00 22.15 H ATOM 7 N PHE A 2 0.931 0.336 -3.021 1.00 52.30 N ATOM 8 CA PHE A 2 0.310 1.123 -4.080 1.00 74.12 C ATOM 9 C PHE A 2 -0.690 2.121 -3.502 1.00 22.50 C ATOM 10 O PHE A 2 -0.596 3.323 -3.748 1.00 60.40 O ATOM 11 CB PHE A 2 -0.392 0.204 -5.083 1.00 21.04 C ATOM 12 CG PHE A 2 -0.705 0.872 -6.391 1.00 22.10 C ATOM 13 CD1 PHE A 2 0.309 1.199 -7.277 1.00 0.32 C ATOM 14 CD2 PHE A 2 -2.013 1.173 -6.735 1.00 21.12 C ATOM 15 CE1 PHE A 2 0.024 1.814 -8.482 1.00 25.32 C ATOM 16 CE2 PHE A 2 -2.304 1.787 -7.938 1.00 65.35 C ATOM 17 CZ PHE A 2 -1.284 2.109 -8.813 1.00 25.45 C ATOM 18 H PHE A 2 0.777 -0.631 -2.991 1.00 35.53 H ATOM 19 HA PHE A 2 1.090 1.667 -4.589 1.00 1.21 H ATOM 20 HB2 PHE A 2 0.243 -0.645 -5.288 1.00 1.35 H ATOM 21 HB3 PHE A 2 -1.321 -0.141 -4.654 1.00 64.42 H ATOM 22 HD1 PHE A 2 1.333 0.969 -7.019 1.00 3.14 H ATOM 23 HD2 PHE A 2 -2.812 0.923 -6.052 1.00 64.20 H ATOM 24 HE1 PHE A 2 0.825 2.064 -9.163 1.00 34.14 H ATOM 25 HE2 PHE A 2 -3.327 2.017 -8.195 1.00 30.54 H ATOM 26 HZ PHE A 2 -1.508 2.588 -9.754 1.00 31.14 H HETATM 27 N AIB A 3 -1.647 1.612 -2.732 1.00 64.05 N HETATM 28 CA AIB A 3 -2.664 2.457 -2.119 1.00 50.24 C HETATM 29 C AIB A 3 -1.989 3.582 -1.341 1.00 73.05 C HETATM 30 O AIB A 3 -2.341 4.752 -1.492 1.00 21.43 O HETATM 31 CB1 AIB A 3 -3.515 1.621 -1.169 1.00 64.12 C HETATM 32 CB2 AIB A 3 -3.553 3.053 -3.206 1.00 64.24 C HETATM 33 H AIB A 3 -1.669 0.645 -2.573 1.00 44.53 H HETATM 34 HB11 AIB A 3 -2.884 1.190 -0.406 1.00 3.23 H HETATM 35 HB12 AIB A 3 -4.001 0.831 -1.722 1.00 71.01 H HETATM 36 HB13 AIB A 3 -4.261 2.249 -0.707 1.00 14.42 H HETATM 37 HB21 AIB A 3 -3.759 2.302 -3.954 1.00 72.53 H HETATM 38 HB22 AIB A 3 -3.047 3.889 -3.666 1.00 52.23 H HETATM 39 HB23 AIB A 3 -4.481 3.390 -2.768 1.00 65.54 H HETATM 40 N AIB A 4 -1.018 3.220 -0.510 1.00 31.53 N HETATM 41 CA AIB A 4 -0.294 4.198 0.292 1.00 1.40 C HETATM 42 C AIB A 4 0.434 5.171 -0.629 1.00 42.43 C HETATM 43 O AIB A 4 0.518 6.366 -0.345 1.00 24.21 O HETATM 44 CB1 AIB A 4 0.720 3.481 1.177 1.00 71.21 C HETATM 45 CB2 AIB A 4 -1.278 4.967 1.167 1.00 34.02 C HETATM 46 H AIB A 4 -0.783 2.271 -0.434 1.00 12.44 H HETATM 47 HB11 AIB A 4 1.631 3.318 0.621 1.00 5.10 H HETATM 48 HB12 AIB A 4 0.315 2.530 1.490 1.00 32.12 H HETATM 49 HB13 AIB A 4 0.931 4.086 2.046 1.00 3.00 H HETATM 50 HB21 AIB A 4 -1.832 5.666 0.558 1.00 74.42 H HETATM 51 HB22 AIB A 4 -0.737 5.506 1.931 1.00 62.24 H HETATM 52 HB23 AIB A 4 -1.963 4.274 1.633 1.00 31.31 H HETATM 53 N AIB A 5 0.959 4.652 -1.734 1.00 60.02 N HETATM 54 CA AIB A 5 1.680 5.475 -2.698 1.00 2.04 C HETATM 55 C AIB A 5 0.792 6.631 -3.144 1.00 12.52 C HETATM 56 O AIB A 5 1.279 7.719 -3.450 1.00 43.03 O HETATM 57 CB1 AIB A 5 2.058 4.628 -3.908 1.00 20.30 C HETATM 58 CB2 AIB A 5 2.945 6.027 -2.048 1.00 61.25 C HETATM 59 H AIB A 5 0.859 3.693 -1.906 1.00 32.54 H HETATM 60 HB11 AIB A 5 1.683 3.623 -3.776 1.00 3.54 H HETATM 61 HB12 AIB A 5 3.133 4.601 -4.007 1.00 61.20 H HETATM 62 HB13 AIB A 5 1.625 5.059 -4.799 1.00 22.04 H HETATM 63 HB21 AIB A 5 3.556 6.506 -2.800 1.00 33.24 H HETATM 64 HB22 AIB A 5 3.500 5.218 -1.596 1.00 14.02 H HETATM 65 HB23 AIB A 5 2.676 6.747 -1.290 1.00 52.23 H HETATM 66 N DIV A 6 -0.514 6.389 -3.178 1.00 33.41 N HETATM 67 CA DIV A 6 -1.471 7.410 -3.587 1.00 1.02 C HETATM 68 CB1 DIV A 6 -1.290 7.711 -5.071 1.00 3.22 C HETATM 69 CG1 DIV A 6 -1.222 6.474 -5.940 1.00 1.45 C HETATM 70 CB2 DIV A 6 -2.889 6.906 -3.340 1.00 11.32 C HETATM 71 C DIV A 6 -1.235 8.681 -2.778 1.00 24.24 C HETATM 72 O DIV A 6 -1.435 9.790 -3.271 1.00 73.43 O HETATM 73 H DIV A 6 -0.842 5.502 -2.922 1.00 33.40 H HETATM 74 HB11 DIV A 6 -0.378 8.273 -5.212 1.00 21.31 H HETATM 75 HB12 DIV A 6 -2.113 8.320 -5.414 1.00 71.33 H HETATM 76 HG11 DIV A 6 -0.228 6.054 -5.891 1.00 11.30 H HETATM 77 HG12 DIV A 6 -1.451 6.739 -6.961 1.00 53.12 H HETATM 78 HG13 DIV A 6 -1.938 5.747 -5.587 1.00 21.13 H HETATM 79 HB21 DIV A 6 -3.055 6.804 -2.278 1.00 23.55 H HETATM 80 HB22 DIV A 6 -3.019 5.947 -3.819 1.00 1.20 H HETATM 81 HB23 DIV A 6 -3.598 7.612 -3.748 1.00 62.41 H ATOM 82 N GLY A 7 -0.807 8.511 -1.530 1.00 44.31 N ATOM 83 CA GLY A 7 -0.550 9.653 -0.672 1.00 51.32 C ATOM 84 C GLY A 7 0.384 10.661 -1.312 1.00 54.34 C ATOM 85 O GLY A 7 0.244 11.867 -1.105 1.00 10.42 O ATOM 86 H GLY A 7 -0.664 7.603 -1.190 1.00 10.34 H ATOM 87 HA2 GLY A 7 -1.488 10.139 -0.448 1.00 30.25 H ATOM 88 HA3 GLY A 7 -0.107 9.304 0.249 1.00 11.52 H ATOM 89 N LEU A 8 1.340 10.168 -2.092 1.00 34.14 N ATOM 90 CA LEU A 8 2.302 11.034 -2.764 1.00 1.15 C ATOM 91 C LEU A 8 1.662 11.737 -3.956 1.00 40.23 C ATOM 92 O LEU A 8 2.097 12.815 -4.361 1.00 30.03 O ATOM 93 CB LEU A 8 3.513 10.222 -3.225 1.00 63.15 C ATOM 94 CG LEU A 8 4.241 9.426 -2.141 1.00 52.13 C ATOM 95 CD1 LEU A 8 5.638 9.044 -2.606 1.00 54.31 C ATOM 96 CD2 LEU A 8 4.307 10.224 -0.847 1.00 52.34 C ATOM 97 H LEU A 8 1.401 9.199 -2.219 1.00 34.51 H ATOM 98 HA LEU A 8 2.628 11.780 -2.054 1.00 23.20 H ATOM 99 HB2 LEU A 8 3.177 9.525 -3.977 1.00 74.13 H ATOM 100 HB3 LEU A 8 4.222 10.909 -3.666 1.00 25.45 H ATOM 101 HG LEU A 8 3.694 8.514 -1.945 1.00 60.01 H ATOM 102 HD11 LEU A 8 5.568 8.282 -3.367 1.00 32.10 H ATOM 103 HD12 LEU A 8 6.205 8.666 -1.768 1.00 52.24 H ATOM 104 HD13 LEU A 8 6.132 9.915 -3.012 1.00 23.33 H ATOM 105 HD21 LEU A 8 5.127 9.864 -0.244 1.00 71.21 H ATOM 106 HD22 LEU A 8 3.381 10.106 -0.304 1.00 33.54 H ATOM 107 HD23 LEU A 8 4.459 11.268 -1.076 1.00 44.51 H HETATM 108 N AIB A 9 0.625 11.120 -4.514 1.00 2.33 N HETATM 109 CA AIB A 9 -0.076 11.688 -5.659 1.00 14.04 C HETATM 110 C AIB A 9 -1.081 12.728 -5.174 1.00 73.14 C HETATM 111 O AIB A 9 -1.571 13.543 -5.956 1.00 32.24 O HETATM 112 CB1 AIB A 9 -0.811 10.580 -6.405 1.00 74.31 C HETATM 113 CB2 AIB A 9 0.930 12.350 -6.594 1.00 13.30 C HETATM 114 H AIB A 9 0.325 10.263 -4.146 1.00 41.12 H HETATM 115 HB11 AIB A 9 -1.190 10.965 -7.340 1.00 51.32 H HETATM 116 HB12 AIB A 9 -1.634 10.224 -5.803 1.00 12.35 H HETATM 117 HB13 AIB A 9 -0.130 9.765 -6.601 1.00 74.32 H HETATM 118 HB21 AIB A 9 0.563 12.303 -7.609 1.00 23.42 H HETATM 119 HB22 AIB A 9 1.876 11.834 -6.528 1.00 42.33 H HETATM 120 HB23 AIB A 9 1.062 13.383 -6.307 1.00 42.12 H HETATM 121 N AIB A 10 -1.384 12.693 -3.881 1.00 1.52 N HETATM 122 CA AIB A 10 -2.331 13.633 -3.292 1.00 43.13 C HETATM 123 C AIB A 10 -1.842 15.059 -3.525 1.00 15.15 C HETATM 124 O AIB A 10 -2.553 15.904 -4.070 1.00 34.34 O HETATM 125 CB1 AIB A 10 -2.442 13.371 -1.794 1.00 41.50 C HETATM 126 CB2 AIB A 10 -3.698 13.452 -3.943 1.00 20.40 C HETATM 127 H AIB A 10 -0.960 12.020 -3.309 1.00 14.34 H HETATM 128 HB11 AIB A 10 -1.998 14.193 -1.251 1.00 55.12 H HETATM 129 HB12 AIB A 10 -1.923 12.456 -1.549 1.00 13.40 H HETATM 130 HB13 AIB A 10 -3.483 13.280 -1.521 1.00 22.41 H HETATM 131 HB21 AIB A 10 -3.638 13.721 -4.987 1.00 74.43 H HETATM 132 HB22 AIB A 10 -4.419 14.086 -3.448 1.00 70.35 H HETATM 133 HB23 AIB A 10 -4.005 12.420 -3.854 1.00 21.01 H HETATM 134 N HYP A 11 -0.600 15.336 -3.102 1.00 20.22 N HETATM 135 CA HYP A 11 0.011 16.659 -3.253 1.00 44.45 C HETATM 136 C HYP A 11 -0.006 17.144 -4.699 1.00 73.12 C HETATM 137 O HYP A 11 0.158 18.334 -4.966 1.00 12.12 O HETATM 138 CB HYP A 11 1.451 16.442 -2.780 1.00 73.31 C HETATM 139 CG HYP A 11 1.385 15.235 -1.909 1.00 35.00 C HETATM 140 CD HYP A 11 0.304 14.378 -2.444 1.00 30.53 C HETATM 141 OD1 HYP A 11 1.623 15.576 -0.538 1.00 2.13 O HETATM 142 HA HYP A 11 -0.469 17.393 -2.623 1.00 55.22 H HETATM 143 HB2 HYP A 11 2.093 16.279 -3.635 1.00 35.55 H HETATM 144 HB3 HYP A 11 1.787 17.307 -2.230 1.00 45.40 H HETATM 145 HG HYP A 11 2.114 14.513 -2.245 1.00 72.21 H HETATM 146 HD22 HYP A 11 0.566 13.572 -3.113 1.00 73.25 H HETATM 147 HD23 HYP A 11 -0.140 13.989 -1.539 1.00 4.44 H HETATM 148 HD1 HYP A 11 1.025 16.279 -0.274 1.00 3.23 H ATOM 149 N GLN A 12 -0.207 16.214 -5.628 1.00 3.34 N ATOM 150 CA GLN A 12 -0.245 16.548 -7.046 1.00 55.25 C ATOM 151 C GLN A 12 -1.659 16.923 -7.479 1.00 40.40 C ATOM 152 O GLN A 12 -1.857 17.524 -8.535 1.00 4.13 O ATOM 153 CB GLN A 12 0.261 15.372 -7.883 1.00 22.11 C ATOM 154 CG GLN A 12 1.776 15.251 -7.908 1.00 43.20 C ATOM 155 CD GLN A 12 2.447 16.449 -8.551 1.00 54.14 C ATOM 156 OE1 GLN A 12 2.615 16.500 -9.770 1.00 42.41 O ATOM 157 NE2 GLN A 12 2.833 17.421 -7.734 1.00 1.42 N ATOM 158 H GLN A 12 -0.331 15.283 -5.352 1.00 61.42 H ATOM 159 HA GLN A 12 0.403 17.396 -7.205 1.00 41.30 H ATOM 160 HB2 GLN A 12 -0.145 14.457 -7.479 1.00 20.34 H ATOM 161 HB3 GLN A 12 -0.085 15.492 -8.899 1.00 13.33 H ATOM 162 HG2 GLN A 12 2.134 15.160 -6.893 1.00 45.23 H ATOM 163 HG3 GLN A 12 2.045 14.365 -8.464 1.00 35.00 H ATOM 164 HE21 GLN A 12 2.667 17.311 -6.774 1.00 2.54 H ATOM 165 HE22 GLN A 12 3.270 18.207 -8.123 1.00 34.15 H HETATM 166 N DIV A 13 -2.639 16.565 -6.656 1.00 71.22 N HETATM 167 CA DIV A 13 -4.035 16.864 -6.954 1.00 64.32 C HETATM 168 CB1 DIV A 13 -4.416 16.231 -8.288 1.00 74.40 C HETATM 169 CG1 DIV A 13 -3.648 14.966 -8.604 1.00 42.44 C HETATM 170 CB2 DIV A 13 -4.922 16.298 -5.851 1.00 14.45 C HETATM 171 C DIV A 13 -4.225 18.375 -7.036 1.00 24.43 C HETATM 172 O DIV A 13 -4.781 18.904 -7.998 1.00 71.11 O HETATM 173 H DIV A 13 -2.418 16.088 -5.829 1.00 74.03 H HETATM 174 HB11 DIV A 13 -4.240 16.940 -9.083 1.00 12.10 H HETATM 175 HB12 DIV A 13 -5.470 15.992 -8.281 1.00 24.21 H HETATM 176 HG11 DIV A 13 -2.678 15.225 -9.004 1.00 32.13 H HETATM 177 HG12 DIV A 13 -4.194 14.386 -9.333 1.00 60.12 H HETATM 178 HG13 DIV A 13 -3.523 14.386 -7.702 1.00 64.14 H HETATM 179 HB21 DIV A 13 -5.808 15.862 -6.289 1.00 23.12 H HETATM 180 HB22 DIV A 13 -5.208 17.092 -5.177 1.00 13.45 H HETATM 181 HB23 DIV A 13 -4.380 15.541 -5.305 1.00 22.24 H HETATM 182 N HYP A 14 -3.752 19.087 -6.002 1.00 51.44 N HETATM 183 CA HYP A 14 -3.858 20.548 -5.934 1.00 61.10 C HETATM 184 C HYP A 14 -2.742 21.247 -6.703 1.00 62.30 C HETATM 185 O HYP A 14 -2.724 22.472 -6.812 1.00 43.24 O HETATM 186 CB HYP A 14 -3.741 20.842 -4.436 1.00 41.34 C HETATM 187 CG HYP A 14 -3.016 19.668 -3.875 1.00 42.11 C HETATM 188 CD HYP A 14 -3.078 18.523 -4.822 1.00 24.44 C HETATM 189 OD1 HYP A 14 -3.415 19.415 -2.522 1.00 42.12 O HETATM 190 HA HYP A 14 -4.815 20.894 -6.297 1.00 23.21 H HETATM 191 HB2 HYP A 14 -3.185 21.758 -4.289 1.00 75.13 H HETATM 192 HB3 HYP A 14 -4.727 20.940 -4.007 1.00 25.51 H HETATM 193 HG HYP A 14 -1.952 19.851 -3.921 1.00 74.04 H HETATM 194 HD22 HYP A 14 -2.101 18.140 -5.081 1.00 54.41 H HETATM 195 HD23 HYP A 14 -3.679 17.749 -4.368 1.00 74.21 H HETATM 196 HD1 HYP A 14 -3.136 18.533 -2.266 1.00 12.04 H HETATM 197 N AIB A 15 -1.813 20.459 -7.235 1.00 23.05 N HETATM 198 CA AIB A 15 -0.693 21.003 -7.994 1.00 33.21 C HETATM 199 C AIB A 15 -1.224 21.867 -9.133 1.00 62.21 C HETATM 200 O AIB A 15 -0.891 23.045 -9.258 1.00 1.51 O HETATM 201 CB1 AIB A 15 0.136 19.858 -8.567 1.00 53.34 C HETATM 202 CB2 AIB A 15 0.179 21.852 -7.076 1.00 22.04 C HETATM 203 H AIB A 15 -1.882 19.489 -7.113 1.00 43.20 H HETATM 204 HB11 AIB A 15 1.173 19.997 -8.301 1.00 62.33 H HETATM 205 HB12 AIB A 15 0.038 19.847 -9.643 1.00 3.00 H HETATM 206 HB13 AIB A 15 -0.217 18.921 -8.164 1.00 75.31 H HETATM 207 HB21 AIB A 15 -0.450 22.449 -6.432 1.00 41.44 H HETATM 208 HB22 AIB A 15 0.804 22.501 -7.671 1.00 61.25 H HETATM 209 HB23 AIB A 15 0.801 21.207 -6.473 1.00 4.23 H ATOM 210 N PRO A 16 -2.070 21.269 -9.985 1.00 65.14 N ATOM 211 CA PRO A 16 -2.665 21.966 -11.130 1.00 23.25 C ATOM 212 C PRO A 16 -3.204 23.341 -10.754 1.00 13.55 C ATOM 213 O PRO A 16 -3.201 24.264 -11.568 1.00 53.53 O ATOM 214 CB PRO A 16 -3.808 21.040 -11.553 1.00 11.31 C ATOM 215 CG PRO A 16 -3.396 19.689 -11.081 1.00 61.42 C ATOM 216 CD PRO A 16 -2.510 19.867 -9.897 1.00 73.44 C ATOM 217 HA PRO A 16 -1.961 22.066 -11.943 1.00 1.43 H ATOM 218 HB2 PRO A 16 -4.727 21.361 -11.082 1.00 60.32 H ATOM 219 HB3 PRO A 16 -3.919 21.067 -12.626 1.00 62.34 H ATOM 220 HG2 PRO A 16 -4.266 19.118 -10.795 1.00 13.30 H ATOM 221 HG3 PRO A 16 -2.851 19.178 -11.862 1.00 10.33 H ATOM 222 HD2 PRO A 16 -3.018 19.680 -8.963 1.00 24.34 H ATOM 223 HD3 PRO A 16 -1.675 19.192 -10.017 1.00 1.41 H HETATM 224 N PHL A 17 -3.667 23.472 -9.515 1.00 2.24 N HETATM 225 CA PHL A 17 -4.210 24.736 -9.031 1.00 13.02 C HETATM 226 C PHL A 17 -3.173 25.495 -8.209 1.00 44.44 C HETATM 227 O PHL A 17 -3.286 26.909 -8.416 1.00 72.10 O HETATM 228 CB PHL A 17 -5.463 24.487 -8.187 1.00 44.54 C HETATM 229 CG PHL A 17 -6.704 24.273 -9.006 1.00 24.42 C HETATM 230 CD1 PHL A 17 -7.377 23.062 -8.963 1.00 0.55 C HETATM 231 CD2 PHL A 17 -7.196 25.281 -9.819 1.00 33.42 C HETATM 232 CE1 PHL A 17 -8.520 22.862 -9.714 1.00 65.51 C HETATM 233 CE2 PHL A 17 -8.338 25.086 -10.572 1.00 75.42 C HETATM 234 CZ PHL A 17 -9.000 23.874 -10.521 1.00 12.22 C HETATM 235 H PHL A 17 -3.642 22.700 -8.911 1.00 75.23 H HETATM 236 HA PHL A 17 -4.478 25.331 -9.890 1.00 43.41 H HETATM 237 HC1 PHL A 17 -3.324 25.284 -7.161 1.00 71.11 H HETATM 238 HC2 PHL A 17 -2.183 25.179 -8.505 1.00 53.13 H HETATM 239 HO PHL A 17 -3.034 27.122 -9.317 1.00 51.24 H HETATM 240 HB2 PHL A 17 -5.310 23.608 -7.580 1.00 11.21 H HETATM 241 HB3 PHL A 17 -5.630 25.339 -7.545 1.00 50.15 H HETATM 242 HD1 PHL A 17 -7.001 22.269 -8.332 1.00 13.04 H HETATM 243 HD2 PHL A 17 -6.679 26.228 -9.861 1.00 55.01 H HETATM 244 HE1 PHL A 17 -9.034 21.913 -9.671 1.00 52.13 H HETATM 245 HE2 PHL A 17 -8.712 25.879 -11.202 1.00 72.23 H HETATM 246 HZ PHL A 17 -9.893 23.720 -11.108 1.00 61.41 H TER 247 PHL A 17