HETATM 1 C ACE A 0 0.631 4.247 1.287 1.00 20.00 C HETATM 2 O ACE A 0 0.666 4.701 2.431 1.00 20.00 O HETATM 3 CH3 ACE A 0 2.151 4.522 1.269 1.00 20.00 C HETATM 4 H1 ACE A 0 2.556 4.282 0.298 1.00 20.00 H HETATM 5 H2 ACE A 0 2.642 3.921 2.019 1.00 20.00 H HETATM 6 H3 ACE A 0 2.335 5.568 1.479 1.00 20.00 H ATOM 7 N PHE A 1 0.483 2.928 1.056 1.00 20.00 N ATOM 8 CA PHE A 1 0.497 2.147 2.298 1.00 20.00 C ATOM 9 C PHE A 1 1.910 1.677 2.647 1.00 20.00 C ATOM 10 O PHE A 1 2.715 1.417 1.737 1.00 20.00 O ATOM 11 CB PHE A 1 -0.440 0.939 2.185 1.00 20.00 C ATOM 12 CG PHE A 1 -1.550 0.942 3.198 1.00 20.00 C ATOM 13 CD1 PHE A 1 -2.396 2.033 3.313 1.00 20.00 C ATOM 14 CD2 PHE A 1 -1.745 -0.145 4.034 1.00 20.00 C ATOM 15 CE1 PHE A 1 -3.418 2.038 4.244 1.00 20.00 C ATOM 16 CE2 PHE A 1 -2.764 -0.145 4.967 1.00 20.00 C ATOM 17 CZ PHE A 1 -3.601 0.948 5.072 1.00 20.00 C ATOM 18 H PHE A 1 1.294 2.550 0.650 1.00 20.00 H ATOM 19 HA PHE A 1 0.143 2.787 3.092 1.00 20.00 H ATOM 20 HB2 PHE A 1 -0.893 0.925 1.203 1.00 20.00 H ATOM 21 HB3 PHE A 1 0.133 0.033 2.323 1.00 20.00 H ATOM 22 HD1 PHE A 1 -2.253 2.885 2.665 1.00 20.00 H ATOM 23 HD2 PHE A 1 -1.090 -1.001 3.952 1.00 20.00 H ATOM 24 HE1 PHE A 1 -4.070 2.895 4.324 1.00 20.00 H ATOM 25 HE2 PHE A 1 -2.906 -0.999 5.614 1.00 20.00 H ATOM 26 HZ PHE A 1 -4.398 0.951 5.801 1.00 20.00 H HETATM 27 N AIB A 2 2.175 1.577 3.971 1.00 20.00 N HETATM 28 CA AIB A 2 3.482 1.136 4.477 1.00 20.00 C HETATM 29 C AIB A 2 3.785 -0.313 4.045 1.00 20.00 C HETATM 30 O AIB A 2 3.869 -1.190 4.921 1.00 20.00 O HETATM 31 CB1 AIB A 2 3.495 1.157 6.004 1.00 20.00 C HETATM 32 CB2 AIB A 2 4.598 2.014 3.912 1.00 20.00 C HETATM 33 H AIB A 2 1.474 1.804 4.616 1.00 20.00 H HETATM 34 HB11 AIB A 2 2.860 0.363 6.380 1.00 20.00 H HETATM 35 HB12 AIB A 2 3.123 2.097 6.362 1.00 20.00 H HETATM 36 HB13 AIB A 2 4.513 1.026 6.356 1.00 20.00 H HETATM 37 HB21 AIB A 2 4.598 1.947 2.830 1.00 20.00 H HETATM 38 HB22 AIB A 2 5.552 1.683 4.278 1.00 20.00 H HETATM 39 HB23 AIB A 2 4.442 3.042 4.226 1.00 20.00 H HETATM 40 N AIB A 3 3.939 -0.529 2.704 1.00 20.00 N HETATM 41 CA AIB A 3 4.224 -1.860 2.152 1.00 20.00 C HETATM 42 C AIB A 3 4.776 -1.763 0.716 1.00 20.00 C HETATM 43 O AIB A 3 5.624 -2.595 0.353 1.00 20.00 O HETATM 44 CB1 AIB A 3 5.281 -2.569 2.999 1.00 20.00 C HETATM 45 CB2 AIB A 3 2.941 -2.687 2.081 1.00 20.00 C HETATM 46 H AIB A 3 3.858 0.211 2.061 1.00 20.00 H HETATM 47 HB11 AIB A 3 4.847 -2.850 3.953 1.00 20.00 H HETATM 48 HB12 AIB A 3 6.113 -1.915 3.177 1.00 20.00 H HETATM 49 HB13 AIB A 3 5.635 -3.449 2.472 1.00 20.00 H HETATM 50 HB21 AIB A 3 2.084 -2.022 2.051 1.00 20.00 H HETATM 51 HB22 AIB A 3 2.858 -3.316 2.948 1.00 20.00 H HETATM 52 HB23 AIB A 3 2.963 -3.314 1.196 1.00 20.00 H HETATM 53 N AIB A 4 4.277 -0.751 -0.067 1.00 20.00 N HETATM 54 CA AIB A 4 4.712 -0.543 -1.457 1.00 20.00 C HETATM 55 C AIB A 4 6.071 -1.220 -1.726 1.00 20.00 C HETATM 56 O AIB A 4 7.109 -0.570 -1.528 1.00 20.00 O HETATM 57 CB1 AIB A 4 3.700 -1.161 -2.420 1.00 20.00 C HETATM 58 CB2 AIB A 4 4.887 0.949 -1.736 1.00 20.00 C HETATM 59 H AIB A 4 3.599 -0.123 0.276 1.00 20.00 H HETATM 60 HB11 AIB A 4 3.145 -1.942 -1.909 1.00 20.00 H HETATM 61 HB12 AIB A 4 4.205 -1.592 -3.263 1.00 20.00 H HETATM 62 HB13 AIB A 4 3.024 -0.390 -2.777 1.00 20.00 H HETATM 63 HB21 AIB A 4 5.100 1.096 -2.790 1.00 20.00 H HETATM 64 HB22 AIB A 4 5.703 1.341 -1.161 1.00 20.00 H HETATM 65 HB23 AIB A 4 3.980 1.476 -1.460 1.00 20.00 H HETATM 66 N DIV A 5 6.031 -2.515 -2.175 1.00 20.00 N HETATM 67 CA DIV A 5 7.257 -3.283 -2.474 1.00 20.00 C HETATM 68 CB1 DIV A 5 7.011 -4.755 -2.689 1.00 20.00 C HETATM 69 CG1 DIV A 5 5.848 -5.050 -3.625 1.00 20.00 C HETATM 70 CB2 DIV A 5 7.796 -3.059 -3.883 1.00 20.00 C HETATM 71 C DIV A 5 8.359 -2.971 -1.431 1.00 20.00 C HETATM 72 O DIV A 5 9.356 -2.326 -1.751 1.00 20.00 O HETATM 73 H DIV A 5 5.173 -2.981 -2.315 1.00 20.00 H HETATM 74 HB11 DIV A 5 6.787 -5.220 -1.741 1.00 20.00 H HETATM 75 HB12 DIV A 5 7.894 -5.220 -3.104 1.00 20.00 H HETATM 76 HG11 DIV A 5 6.068 -4.668 -4.609 1.00 20.00 H HETATM 77 HG12 DIV A 5 4.947 -4.586 -3.250 1.00 20.00 H HETATM 78 HG13 DIV A 5 5.701 -6.118 -3.683 1.00 20.00 H HETATM 79 HB21 DIV A 5 8.249 -2.080 -3.945 1.00 20.00 H HETATM 80 HB22 DIV A 5 6.990 -3.117 -4.596 1.00 20.00 H HETATM 81 HB23 DIV A 5 8.539 -3.806 -4.120 1.00 20.00 H ATOM 82 N GLY A 6 8.163 -3.444 -0.181 1.00 20.00 N ATOM 83 CA GLY A 6 9.156 -3.196 0.849 1.00 20.00 C ATOM 84 C GLY A 6 9.242 -1.732 1.236 1.00 20.00 C ATOM 85 O GLY A 6 10.267 -1.278 1.746 1.00 20.00 O ATOM 86 H GLY A 6 7.354 -3.962 0.046 1.00 20.00 H ATOM 87 HA2 GLY A 6 8.900 -3.773 1.725 1.00 20.00 H ATOM 88 HA3 GLY A 6 10.119 -3.520 0.488 1.00 20.00 H ATOM 89 N LEU A 7 8.163 -0.997 0.993 1.00 20.00 N ATOM 90 CA LEU A 7 8.107 0.426 1.317 1.00 20.00 C ATOM 91 C LEU A 7 9.476 1.091 1.180 1.00 20.00 C ATOM 92 O LEU A 7 10.084 1.468 2.196 1.00 20.00 O ATOM 93 CB LEU A 7 7.569 0.628 2.737 1.00 20.00 C ATOM 94 CG LEU A 7 8.439 0.046 3.854 1.00 20.00 C ATOM 95 CD1 LEU A 7 9.074 1.162 4.670 1.00 20.00 C ATOM 96 CD2 LEU A 7 7.615 -0.868 4.748 1.00 20.00 C ATOM 97 H LEU A 7 7.380 -1.422 0.586 1.00 20.00 H ATOM 98 HA LEU A 7 7.428 0.894 0.620 1.00 20.00 H ATOM 99 HB2 LEU A 7 7.462 1.690 2.910 1.00 20.00 H ATOM 100 HB3 LEU A 7 6.593 0.171 2.798 1.00 20.00 H ATOM 101 HG LEU A 7 9.232 -0.539 3.414 1.00 20.00 H ATOM 102 HD11 LEU A 7 8.654 2.111 4.372 1.00 20.00 H ATOM 103 HD12 LEU A 7 8.880 0.996 5.719 1.00 20.00 H ATOM 104 HD13 LEU A 7 10.141 1.171 4.499 1.00 20.00 H ATOM 105 HD21 LEU A 7 6.605 -0.490 4.818 1.00 20.00 H ATOM 106 HD22 LEU A 7 7.600 -1.863 4.330 1.00 20.00 H ATOM 107 HD23 LEU A 7 8.056 -0.898 5.734 1.00 20.00 H HETATM 108 N AIB A 8 9.925 1.230 -0.089 1.00 20.00 N HETATM 109 CA AIB A 8 11.214 1.864 -0.401 1.00 20.00 C HETATM 110 C AIB A 8 12.395 0.925 -0.079 1.00 20.00 C HETATM 111 O AIB A 8 13.533 1.416 0.006 1.00 20.00 O HETATM 112 CB1 AIB A 8 11.294 2.187 -1.893 1.00 20.00 C HETATM 113 CB2 AIB A 8 11.404 3.126 0.439 1.00 20.00 C HETATM 114 H AIB A 8 9.369 0.911 -0.829 1.00 20.00 H HETATM 115 HB11 AIB A 8 12.256 1.869 -2.281 1.00 20.00 H HETATM 116 HB12 AIB A 8 11.193 3.245 -2.049 1.00 20.00 H HETATM 117 HB13 AIB A 8 10.491 1.680 -2.416 1.00 20.00 H HETATM 118 HB21 AIB A 8 11.688 2.848 1.448 1.00 20.00 H HETATM 119 HB22 AIB A 8 10.489 3.686 0.479 1.00 20.00 H HETATM 120 HB23 AIB A 8 12.172 3.747 -0.011 1.00 20.00 H HETATM 121 N AIB A 9 12.098 -0.401 0.091 1.00 20.00 N HETATM 122 CA AIB A 9 13.132 -1.399 0.399 1.00 20.00 C HETATM 123 C AIB A 9 14.231 -1.419 -0.684 1.00 20.00 C HETATM 124 O AIB A 9 15.414 -1.443 -0.344 1.00 20.00 O HETATM 125 CB1 AIB A 9 13.814 -1.050 1.722 1.00 20.00 C HETATM 126 CB2 AIB A 9 12.526 -2.801 0.456 1.00 20.00 C HETATM 127 H AIB A 9 11.173 -0.731 0.011 1.00 20.00 H HETATM 128 HB11 AIB A 9 14.489 -0.214 1.569 1.00 20.00 H HETATM 129 HB12 AIB A 9 14.380 -1.889 2.079 1.00 20.00 H HETATM 130 HB13 AIB A 9 13.062 -0.797 2.460 1.00 20.00 H HETATM 131 HB21 AIB A 9 12.145 -3.070 -0.523 1.00 20.00 H HETATM 132 HB22 AIB A 9 11.717 -2.827 1.160 1.00 20.00 H HETATM 133 HB23 AIB A 9 13.286 -3.508 0.772 1.00 20.00 H HETATM 134 N HYP A 10 13.864 -1.406 -2.003 1.00 20.00 N HETATM 135 CA HYP A 10 14.911 -1.422 -3.041 1.00 20.00 C HETATM 136 C HYP A 10 15.555 -0.053 -3.250 1.00 20.00 C HETATM 137 O HYP A 10 16.298 0.150 -4.210 1.00 20.00 O HETATM 138 CB HYP A 10 14.183 -1.854 -4.325 1.00 20.00 C HETATM 139 CG HYP A 10 12.816 -2.364 -3.881 1.00 20.00 C HETATM 140 CD HYP A 10 12.539 -1.521 -2.660 1.00 20.00 C HETATM 141 OD1 HYP A 10 12.884 -3.719 -3.470 1.00 20.00 O HETATM 142 HA HYP A 10 15.682 -2.141 -2.807 1.00 20.00 H HETATM 143 HB2 HYP A 10 14.751 -2.631 -4.816 1.00 20.00 H HETATM 144 HB3 HYP A 10 14.087 -1.006 -4.986 1.00 20.00 H HETATM 145 HG HYP A 10 12.100 -2.105 -4.646 1.00 20.00 H HETATM 146 HD22 HYP A 10 12.167 -0.550 -2.950 1.00 20.00 H HETATM 147 HD23 HYP A 10 11.832 -2.019 -2.016 1.00 20.00 H HETATM 148 HD1 HYP A 10 13.530 -3.812 -2.765 1.00 20.00 H ATOM 149 N GLN A 11 15.266 0.884 -2.355 1.00 20.00 N ATOM 150 CA GLN A 11 15.821 2.229 -2.461 1.00 20.00 C ATOM 151 C GLN A 11 16.733 2.547 -1.280 1.00 20.00 C ATOM 152 O GLN A 11 17.896 2.936 -1.485 1.00 20.00 O ATOM 153 CB GLN A 11 14.693 3.259 -2.541 1.00 20.00 C ATOM 154 CG GLN A 11 13.853 3.147 -3.803 1.00 20.00 C ATOM 155 CD GLN A 11 14.609 3.578 -5.045 1.00 20.00 C ATOM 156 OE1 GLN A 11 15.112 4.698 -5.123 1.00 20.00 O ATOM 157 NE2 GLN A 11 14.689 2.687 -6.027 1.00 20.00 N ATOM 158 H GLN A 11 14.665 0.671 -1.612 1.00 20.00 H ATOM 159 HA GLN A 11 16.402 2.276 -3.369 1.00 20.00 H ATOM 160 HB2 GLN A 11 14.042 3.129 -1.689 1.00 20.00 H ATOM 161 HB3 GLN A 11 15.122 4.250 -2.505 1.00 20.00 H ATOM 162 HG2 GLN A 11 13.545 2.120 -3.926 1.00 20.00 H ATOM 163 HG3 GLN A 11 12.980 3.774 -3.696 1.00 20.00 H ATOM 164 HE21 GLN A 11 14.262 1.814 -5.895 1.00 20.00 H ATOM 165 HE22 GLN A 11 15.173 2.938 -6.841 1.00 20.00 H HETATM 166 N DIV A 12 16.178 2.376 -0.060 1.00 20.00 N HETATM 167 CA DIV A 12 16.922 2.646 1.190 1.00 20.00 C HETATM 168 CB1 DIV A 12 16.758 4.055 1.704 1.00 20.00 C HETATM 169 CG1 DIV A 12 17.135 5.103 0.668 1.00 20.00 C HETATM 170 CB2 DIV A 12 16.298 2.048 2.442 1.00 20.00 C HETATM 171 C DIV A 12 18.397 2.193 1.053 1.00 20.00 C HETATM 172 O DIV A 12 19.272 2.926 1.509 1.00 20.00 O HETATM 173 H DIV A 12 15.250 2.066 -0.001 1.00 20.00 H HETATM 174 HB11 DIV A 12 17.392 4.202 2.565 1.00 20.00 H HETATM 175 HB12 DIV A 12 15.729 4.232 1.988 1.00 20.00 H HETATM 176 HG11 DIV A 12 18.176 4.990 0.395 1.00 20.00 H HETATM 177 HG12 DIV A 12 16.982 6.087 1.087 1.00 20.00 H HETATM 178 HG13 DIV A 12 16.515 4.991 -0.212 1.00 20.00 H HETATM 179 HB21 DIV A 12 16.282 0.971 2.365 1.00 20.00 H HETATM 180 HB22 DIV A 12 15.286 2.411 2.554 1.00 20.00 H HETATM 181 HB23 DIV A 12 16.875 2.334 3.309 1.00 20.00 H HETATM 182 N HYP A 13 18.678 0.998 0.420 1.00 20.00 N HETATM 183 CA HYP A 13 20.058 0.524 0.241 1.00 20.00 C HETATM 184 C HYP A 13 21.149 1.485 0.745 1.00 20.00 C HETATM 185 O HYP A 13 21.908 1.106 1.652 1.00 20.00 O HETATM 186 CB HYP A 13 20.029 -0.745 1.092 1.00 20.00 C HETATM 187 CG HYP A 13 18.692 -1.395 0.737 1.00 20.00 C HETATM 188 CD HYP A 13 17.806 -0.214 0.355 1.00 20.00 C HETATM 189 OD1 HYP A 13 18.113 -2.018 1.873 1.00 20.00 O HETATM 190 HA HYP A 13 20.255 0.248 -0.798 1.00 20.00 H HETATM 191 HB2 HYP A 13 20.079 -0.491 2.150 1.00 20.00 H HETATM 192 HB3 HYP A 13 20.861 -1.380 0.828 1.00 20.00 H HETATM 193 HG HYP A 13 18.844 -2.004 -0.142 1.00 20.00 H HETATM 194 HD22 HYP A 13 17.424 -0.349 -0.646 1.00 20.00 H HETATM 195 HD23 HYP A 13 16.989 -0.133 1.053 1.00 20.00 H HETATM 196 HD1 HYP A 13 18.695 -2.707 2.202 1.00 20.00 H HETATM 197 N AIB A 14 21.200 2.715 0.147 1.00 20.00 N HETATM 198 CA AIB A 14 22.188 3.739 0.523 1.00 20.00 C HETATM 199 C AIB A 14 23.328 3.141 1.374 1.00 20.00 C HETATM 200 O AIB A 14 24.404 2.868 0.840 1.00 20.00 O HETATM 201 CB1 AIB A 14 22.818 4.327 -0.741 1.00 20.00 C HETATM 202 CB2 AIB A 14 21.525 4.835 1.358 1.00 20.00 C HETATM 203 H AIB A 14 20.562 2.952 -0.560 1.00 20.00 H HETATM 204 HB11 AIB A 14 22.635 5.396 -0.775 1.00 20.00 H HETATM 205 HB12 AIB A 14 22.382 3.878 -1.615 1.00 20.00 H HETATM 206 HB13 AIB A 14 23.885 4.128 -0.745 1.00 20.00 H HETATM 207 HB21 AIB A 14 21.153 5.613 0.701 1.00 20.00 H HETATM 208 HB22 AIB A 14 22.237 5.267 2.035 1.00 20.00 H HETATM 209 HB23 AIB A 14 20.712 4.407 1.935 1.00 20.00 H ATOM 210 N PRO A 15 23.120 2.932 2.714 1.00 20.00 N ATOM 211 CA PRO A 15 24.212 2.370 3.524 1.00 20.00 C ATOM 212 C PRO A 15 25.014 1.306 2.780 1.00 20.00 C ATOM 213 O PRO A 15 26.221 1.174 2.984 1.00 20.00 O ATOM 214 CB PRO A 15 23.493 1.747 4.716 1.00 20.00 C ATOM 215 CG PRO A 15 22.321 2.626 4.935 1.00 20.00 C ATOM 216 CD PRO A 15 21.905 3.119 3.574 1.00 20.00 C ATOM 217 HA PRO A 15 24.882 3.143 3.871 1.00 20.00 H ATOM 218 HB2 PRO A 15 23.192 0.737 4.471 1.00 20.00 H ATOM 219 HB3 PRO A 15 24.148 1.738 5.576 1.00 20.00 H ATOM 220 HG2 PRO A 15 21.520 2.063 5.390 1.00 20.00 H ATOM 221 HG3 PRO A 15 22.601 3.458 5.564 1.00 20.00 H ATOM 222 HD2 PRO A 15 21.078 2.531 3.202 1.00 20.00 H ATOM 223 HD3 PRO A 15 21.628 4.162 3.630 1.00 20.00 H HETATM 224 N PHL A 16 24.340 0.546 1.924 1.00 20.00 N HETATM 225 CA PHL A 16 25.024 -0.549 1.133 1.00 20.00 C HETATM 226 C PHL A 16 25.256 -1.733 2.152 1.00 20.00 C HETATM 227 O PHL A 16 26.090 -2.735 1.595 1.00 20.00 O HETATM 228 CB PHL A 16 24.641 -0.787 -0.295 1.00 20.00 C HETATM 229 CG PHL A 16 24.967 0.356 -1.217 1.00 20.00 C HETATM 230 CD1 PHL A 16 26.276 0.805 -1.350 1.00 20.00 C HETATM 231 CD2 PHL A 16 23.967 0.979 -1.956 1.00 20.00 C HETATM 232 CE1 PHL A 16 26.581 1.856 -2.201 1.00 20.00 C HETATM 233 CE2 PHL A 16 24.266 2.029 -2.809 1.00 20.00 C HETATM 234 CZ PHL A 16 25.575 2.468 -2.932 1.00 20.00 C HETATM 235 H PHL A 16 23.377 0.692 1.803 1.00 20.00 H HETATM 236 HA PHL A 16 25.873 -0.232 0.795 1.00 20.00 H HETATM 237 HC1 PHL A 16 24.305 -2.176 2.408 1.00 20.00 H HETATM 238 HC2 PHL A 16 25.725 -1.349 3.047 1.00 20.00 H HETATM 239 HO PHL A 16 26.410 -2.446 0.737 1.00 20.00 H HETATM 240 HB2 PHL A 16 23.577 -0.962 -0.348 1.00 20.00 H HETATM 241 HB3 PHL A 16 25.162 -1.661 -0.657 1.00 20.00 H HETATM 242 HD1 PHL A 16 27.060 0.329 -0.780 1.00 20.00 H HETATM 243 HD2 PHL A 16 22.946 0.637 -1.860 1.00 20.00 H HETATM 244 HE1 PHL A 16 27.602 2.197 -2.296 1.00 20.00 H HETATM 245 HE2 PHL A 16 23.481 2.506 -3.377 1.00 20.00 H HETATM 246 HZ PHL A 16 25.810 3.286 -3.597 1.00 20.00 H TER 247 PHL A 16