HETATM 1 C ACE A 0 1.317 5.132 1.271 1.00 20.00 C HETATM 2 O ACE A 0 0.544 5.303 2.214 1.00 20.00 O HETATM 3 CH3 ACE A 0 2.430 5.175 2.340 1.00 20.00 C HETATM 4 H1 ACE A 0 3.388 4.972 1.885 1.00 20.00 H HETATM 5 H2 ACE A 0 2.234 4.436 3.105 1.00 20.00 H HETATM 6 H3 ACE A 0 2.457 6.156 2.797 1.00 20.00 H ATOM 7 N PHE A 1 1.431 3.938 0.652 1.00 20.00 N ATOM 8 CA PHE A 1 0.640 2.885 1.304 1.00 20.00 C ATOM 9 C PHE A 1 1.517 1.932 2.119 1.00 20.00 C ATOM 10 O PHE A 1 2.647 1.624 1.703 1.00 20.00 O ATOM 11 CB PHE A 1 -0.142 2.093 0.252 1.00 20.00 C ATOM 12 CG PHE A 1 -1.570 2.534 0.111 1.00 20.00 C ATOM 13 CD1 PHE A 1 -1.874 3.772 -0.430 1.00 20.00 C ATOM 14 CD2 PHE A 1 -2.608 1.712 0.522 1.00 20.00 C ATOM 15 CE1 PHE A 1 -3.186 4.184 -0.560 1.00 20.00 C ATOM 16 CE2 PHE A 1 -3.923 2.119 0.393 1.00 20.00 C ATOM 17 CZ PHE A 1 -4.212 3.356 -0.148 1.00 20.00 C ATOM 18 H PHE A 1 2.320 3.551 0.803 1.00 20.00 H ATOM 19 HA PHE A 1 -0.062 3.360 1.969 1.00 20.00 H ATOM 20 HB2 PHE A 1 0.338 2.212 -0.708 1.00 20.00 H ATOM 21 HB3 PHE A 1 -0.140 1.048 0.524 1.00 20.00 H ATOM 22 HD1 PHE A 1 -1.072 4.419 -0.752 1.00 20.00 H ATOM 23 HD2 PHE A 1 -2.384 0.744 0.944 1.00 20.00 H ATOM 24 HE1 PHE A 1 -3.409 5.153 -0.982 1.00 20.00 H ATOM 25 HE2 PHE A 1 -4.723 1.469 0.715 1.00 20.00 H ATOM 26 HZ PHE A 1 -5.239 3.676 -0.248 1.00 20.00 H HETATM 27 N AIB A 2 0.967 1.484 3.270 1.00 20.00 N HETATM 28 CA AIB A 2 1.673 0.561 4.169 1.00 20.00 C HETATM 29 C AIB A 2 1.855 -0.822 3.515 1.00 20.00 C HETATM 30 O AIB A 2 1.288 -1.802 4.029 1.00 20.00 O HETATM 31 CB1 AIB A 2 0.857 0.338 5.442 1.00 20.00 C HETATM 32 CB2 AIB A 2 3.065 1.092 4.504 1.00 20.00 C HETATM 33 H AIB A 2 0.066 1.781 3.515 1.00 20.00 H HETATM 34 HB11 AIB A 2 0.004 -0.292 5.213 1.00 20.00 H HETATM 35 HB12 AIB A 2 0.504 1.277 5.821 1.00 20.00 H HETATM 36 HB13 AIB A 2 1.483 -0.132 6.191 1.00 20.00 H HETATM 37 HB21 AIB A 2 3.414 0.636 5.425 1.00 20.00 H HETATM 38 HB22 AIB A 2 3.034 2.157 4.637 1.00 20.00 H HETATM 39 HB23 AIB A 2 3.744 0.863 3.690 1.00 20.00 H HETATM 40 N AIB A 3 2.639 -0.871 2.396 1.00 20.00 N HETATM 41 CA AIB A 3 2.894 -2.125 1.673 1.00 20.00 C HETATM 42 C AIB A 3 3.547 -1.857 0.303 1.00 20.00 C HETATM 43 O AIB A 3 4.221 -2.761 -0.214 1.00 20.00 O HETATM 44 CB1 AIB A 3 3.857 -3.003 2.471 1.00 20.00 C HETATM 45 CB2 AIB A 3 1.578 -2.858 1.414 1.00 20.00 C HETATM 46 H AIB A 3 3.061 -0.055 2.040 1.00 20.00 H HETATM 47 HB11 AIB A 3 3.686 -4.045 2.222 1.00 20.00 H HETATM 48 HB12 AIB A 3 3.695 -2.869 3.523 1.00 20.00 H HETATM 49 HB13 AIB A 3 4.879 -2.724 2.238 1.00 20.00 H HETATM 50 HB21 AIB A 3 0.750 -2.231 1.728 1.00 20.00 H HETATM 51 HB22 AIB A 3 1.549 -3.774 1.974 1.00 20.00 H HETATM 52 HB23 AIB A 3 1.497 -3.091 0.359 1.00 20.00 H HETATM 53 N AIB A 4 3.327 -0.619 -0.252 1.00 20.00 N HETATM 54 CA AIB A 4 3.887 -0.230 -1.553 1.00 20.00 C HETATM 55 C AIB A 4 5.106 -1.098 -1.924 1.00 20.00 C HETATM 56 O AIB A 4 6.243 -0.663 -1.682 1.00 20.00 O HETATM 57 CB1 AIB A 4 2.846 -0.422 -2.656 1.00 20.00 C HETATM 58 CB2 AIB A 4 4.363 1.222 -1.505 1.00 20.00 C HETATM 59 H AIB A 4 2.777 0.058 0.210 1.00 20.00 H HETATM 60 HB11 AIB A 4 2.167 -1.219 -2.374 1.00 20.00 H HETATM 61 HB12 AIB A 4 3.329 -0.690 -3.578 1.00 20.00 H HETATM 62 HB13 AIB A 4 2.302 0.504 -2.803 1.00 20.00 H HETATM 63 HB21 AIB A 4 3.551 1.854 -1.161 1.00 20.00 H HETATM 64 HB22 AIB A 4 4.662 1.546 -2.484 1.00 20.00 H HETATM 65 HB23 AIB A 4 5.212 1.302 -0.836 1.00 20.00 H HETATM 66 N DIV A 5 4.841 -2.312 -2.505 1.00 20.00 N HETATM 67 CA DIV A 5 5.915 -3.242 -2.909 1.00 20.00 C HETATM 68 CB1 DIV A 5 5.445 -4.637 -3.157 1.00 20.00 C HETATM 69 CG1 DIV A 5 4.861 -5.295 -1.914 1.00 20.00 C HETATM 70 CB2 DIV A 5 6.377 -3.080 -4.350 1.00 20.00 C HETATM 71 C DIV A 5 7.113 -3.144 -1.934 1.00 20.00 C HETATM 72 O DIV A 5 8.228 -2.829 -2.348 1.00 20.00 O HETATM 73 H DIV A 5 3.914 -2.604 -2.675 1.00 20.00 H HETATM 74 HB11 DIV A 5 6.271 -5.246 -3.492 1.00 20.00 H HETATM 75 HB12 DIV A 5 4.678 -4.633 -3.918 1.00 20.00 H HETATM 76 HG11 DIV A 5 4.554 -6.302 -2.157 1.00 20.00 H HETATM 77 HG12 DIV A 5 4.004 -4.733 -1.570 1.00 20.00 H HETATM 78 HG13 DIV A 5 5.608 -5.331 -1.132 1.00 20.00 H HETATM 79 HB21 DIV A 5 6.790 -2.091 -4.491 1.00 20.00 H HETATM 80 HB22 DIV A 5 5.540 -3.215 -5.019 1.00 20.00 H HETATM 81 HB23 DIV A 5 7.134 -3.816 -4.575 1.00 20.00 H ATOM 82 N GLY A 6 6.865 -3.425 -0.636 1.00 20.00 N ATOM 83 CA GLY A 6 7.939 -3.361 0.338 1.00 20.00 C ATOM 84 C GLY A 6 8.352 -1.939 0.673 1.00 20.00 C ATOM 85 O GLY A 6 9.476 -1.705 1.103 1.00 20.00 O ATOM 86 H GLY A 6 5.960 -3.679 -0.335 1.00 20.00 H ATOM 87 HA2 GLY A 6 7.615 -3.851 1.244 1.00 20.00 H ATOM 88 HA3 GLY A 6 8.795 -3.889 -0.056 1.00 20.00 H ATOM 89 N LEU A 7 7.440 -0.993 0.484 1.00 20.00 N ATOM 90 CA LEU A 7 7.707 0.418 0.770 1.00 20.00 C ATOM 91 C LEU A 7 9.156 0.810 0.461 1.00 20.00 C ATOM 92 O LEU A 7 9.745 1.627 1.190 1.00 20.00 O ATOM 93 CB LEU A 7 7.365 0.756 2.229 1.00 20.00 C ATOM 94 CG LEU A 7 7.908 -0.207 3.288 1.00 20.00 C ATOM 95 CD1 LEU A 7 8.992 0.467 4.114 1.00 20.00 C ATOM 96 CD2 LEU A 7 6.782 -0.697 4.188 1.00 20.00 C ATOM 97 H LEU A 7 6.557 -1.247 0.141 1.00 20.00 H ATOM 98 HA LEU A 7 7.062 0.999 0.128 1.00 20.00 H ATOM 99 HB2 LEU A 7 7.749 1.742 2.444 1.00 20.00 H ATOM 100 HB3 LEU A 7 6.288 0.785 2.322 1.00 20.00 H ATOM 101 HG LEU A 7 8.346 -1.064 2.802 1.00 20.00 H ATOM 102 HD11 LEU A 7 8.839 1.537 4.105 1.00 20.00 H ATOM 103 HD12 LEU A 7 8.947 0.106 5.130 1.00 20.00 H ATOM 104 HD13 LEU A 7 9.961 0.239 3.693 1.00 20.00 H ATOM 105 HD21 LEU A 7 5.902 -0.891 3.592 1.00 20.00 H ATOM 106 HD22 LEU A 7 7.087 -1.605 4.686 1.00 20.00 H ATOM 107 HD23 LEU A 7 6.556 0.059 4.926 1.00 20.00 H HETATM 108 N AIB A 8 9.690 0.235 -0.644 1.00 20.00 N HETATM 109 CA AIB A 8 11.058 0.528 -1.103 1.00 20.00 C HETATM 110 C AIB A 8 12.104 0.205 -0.017 1.00 20.00 C HETATM 111 O AIB A 8 13.235 0.708 -0.118 1.00 20.00 O HETATM 112 CB1 AIB A 8 11.400 -0.326 -2.325 1.00 20.00 C HETATM 113 CB2 AIB A 8 11.198 2.015 -1.426 1.00 20.00 C HETATM 114 H AIB A 8 9.141 -0.382 -1.172 1.00 20.00 H HETATM 115 HB11 AIB A 8 11.109 0.203 -3.226 1.00 20.00 H HETATM 116 HB12 AIB A 8 10.870 -1.259 -2.285 1.00 20.00 H HETATM 117 HB13 AIB A 8 12.466 -0.530 -2.333 1.00 20.00 H HETATM 118 HB21 AIB A 8 12.005 2.437 -0.836 1.00 20.00 H HETATM 119 HB22 AIB A 8 10.288 2.534 -1.186 1.00 20.00 H HETATM 120 HB23 AIB A 8 11.400 2.137 -2.484 1.00 20.00 H HETATM 121 N AIB A 9 11.707 -0.628 0.993 1.00 20.00 N HETATM 122 CA AIB A 9 12.608 -1.019 2.086 1.00 20.00 C HETATM 123 C AIB A 9 13.986 -1.459 1.547 1.00 20.00 C HETATM 124 O AIB A 9 15.004 -1.179 2.180 1.00 20.00 O HETATM 125 CB1 AIB A 9 12.845 0.163 3.027 1.00 20.00 C HETATM 126 CB2 AIB A 9 12.022 -2.209 2.846 1.00 20.00 C HETATM 127 H AIB A 9 10.794 -0.999 1.020 1.00 20.00 H HETATM 128 HB11 AIB A 9 11.933 0.373 3.575 1.00 20.00 H HETATM 129 HB12 AIB A 9 13.119 1.035 2.464 1.00 20.00 H HETATM 130 HB13 AIB A 9 13.650 -0.079 3.713 1.00 20.00 H HETATM 131 HB21 AIB A 9 11.678 -2.954 2.137 1.00 20.00 H HETATM 132 HB22 AIB A 9 11.190 -1.890 3.444 1.00 20.00 H HETATM 133 HB23 AIB A 9 12.781 -2.629 3.497 1.00 20.00 H HETATM 134 N HYP A 10 14.048 -2.152 0.368 1.00 20.00 N HETATM 135 CA HYP A 10 15.361 -2.573 -0.152 1.00 20.00 C HETATM 136 C HYP A 10 16.108 -1.438 -0.853 1.00 20.00 C HETATM 137 O HYP A 10 17.088 -1.678 -1.558 1.00 20.00 O HETATM 138 CB HYP A 10 15.045 -3.693 -1.160 1.00 20.00 C HETATM 139 CG HYP A 10 13.579 -4.052 -0.940 1.00 20.00 C HETATM 140 CD HYP A 10 12.988 -2.738 -0.488 1.00 20.00 C HETATM 141 OD1 HYP A 10 13.433 -4.982 0.121 1.00 20.00 O HETATM 142 HA HYP A 10 15.983 -2.969 0.637 1.00 20.00 H HETATM 143 HB2 HYP A 10 15.687 -4.540 -0.970 1.00 20.00 H HETATM 144 HB3 HYP A 10 15.211 -3.330 -2.164 1.00 20.00 H HETATM 145 HG HYP A 10 13.152 -4.309 -1.897 1.00 20.00 H HETATM 146 HD22 HYP A 10 12.787 -2.103 -1.338 1.00 20.00 H HETATM 147 HD23 HYP A 10 12.086 -2.909 0.079 1.00 20.00 H HETATM 148 HD1 HYP A 10 13.610 -4.543 0.957 1.00 20.00 H ATOM 149 N GLN A 11 15.645 -0.206 -0.660 1.00 20.00 N ATOM 150 CA GLN A 11 16.278 0.952 -1.282 1.00 20.00 C ATOM 151 C GLN A 11 17.427 1.480 -0.429 1.00 20.00 C ATOM 152 O GLN A 11 18.358 2.105 -0.965 1.00 20.00 O ATOM 153 CB GLN A 11 15.249 2.060 -1.516 1.00 20.00 C ATOM 154 CG GLN A 11 14.275 1.757 -2.643 1.00 20.00 C ATOM 155 CD GLN A 11 14.966 1.601 -3.984 1.00 20.00 C ATOM 156 OE1 GLN A 11 16.190 1.684 -4.077 1.00 20.00 O ATOM 157 NE2 GLN A 11 14.182 1.375 -5.032 1.00 20.00 N ATOM 158 H GLN A 11 14.860 -0.072 -0.090 1.00 20.00 H ATOM 159 HA GLN A 11 16.674 0.637 -2.237 1.00 20.00 H ATOM 160 HB2 GLN A 11 14.683 2.205 -0.608 1.00 20.00 H ATOM 161 HB3 GLN A 11 15.770 2.975 -1.754 1.00 20.00 H ATOM 162 HG2 GLN A 11 13.755 0.840 -2.415 1.00 20.00 H ATOM 163 HG3 GLN A 11 13.563 2.565 -2.714 1.00 20.00 H ATOM 164 HE21 GLN A 11 13.215 1.322 -4.883 1.00 20.00 H ATOM 165 HE22 GLN A 11 14.602 1.270 -5.910 1.00 20.00 H HETATM 166 N DIV A 12 17.335 1.216 0.895 1.00 20.00 N HETATM 167 CA DIV A 12 18.364 1.656 1.861 1.00 20.00 C HETATM 168 CB1 DIV A 12 17.977 2.901 2.621 1.00 20.00 C HETATM 169 CG1 DIV A 12 16.564 2.840 3.177 1.00 20.00 C HETATM 170 CB2 DIV A 12 18.461 0.769 3.100 1.00 20.00 C HETATM 171 C DIV A 12 19.750 1.730 1.174 1.00 20.00 C HETATM 172 O DIV A 12 20.404 2.764 1.290 1.00 20.00 O HETATM 173 H DIV A 12 16.563 0.715 1.229 1.00 20.00 H HETATM 174 HB11 DIV A 12 18.034 3.757 1.965 1.00 20.00 H HETATM 175 HB12 DIV A 12 18.653 3.049 3.451 1.00 20.00 H HETATM 176 HG11 DIV A 12 15.856 2.766 2.363 1.00 20.00 H HETATM 177 HG12 DIV A 12 16.364 3.740 3.742 1.00 20.00 H HETATM 178 HG13 DIV A 12 16.460 1.981 3.827 1.00 20.00 H HETATM 179 HB21 DIV A 12 18.202 1.313 3.999 1.00 20.00 H HETATM 180 HB22 DIV A 12 19.471 0.397 3.195 1.00 20.00 H HETATM 181 HB23 DIV A 12 17.789 -0.069 2.993 1.00 20.00 H HETATM 182 N HYP A 13 20.198 0.640 0.460 1.00 20.00 N HETATM 183 CA HYP A 13 21.499 0.635 -0.223 1.00 20.00 C HETATM 184 C HYP A 13 22.386 1.865 0.055 1.00 20.00 C HETATM 185 O HYP A 13 23.415 1.704 0.724 1.00 20.00 O HETATM 186 CB HYP A 13 22.136 -0.610 0.399 1.00 20.00 C HETATM 187 CG HYP A 13 21.002 -1.634 0.433 1.00 20.00 C HETATM 188 CD HYP A 13 19.744 -0.779 0.539 1.00 20.00 C HETATM 189 OD1 HYP A 13 21.078 -2.436 1.600 1.00 20.00 O HETATM 190 HA HYP A 13 21.390 0.474 -1.301 1.00 20.00 H HETATM 191 HB2 HYP A 13 22.500 -0.387 1.402 1.00 20.00 H HETATM 192 HB3 HYP A 13 22.954 -0.947 -0.221 1.00 20.00 H HETATM 193 HG HYP A 13 20.987 -2.141 -0.521 1.00 20.00 H HETATM 194 HD22 HYP A 13 19.075 -1.006 -0.277 1.00 20.00 H HETATM 195 HD23 HYP A 13 19.251 -0.967 1.482 1.00 20.00 H HETATM 196 HD1 HYP A 13 21.674 -2.024 2.230 1.00 20.00 H HETATM 197 N AIB A 14 21.970 3.072 -0.457 1.00 20.00 N HETATM 198 CA AIB A 14 22.724 4.323 -0.262 1.00 20.00 C HETATM 199 C AIB A 14 24.055 4.080 0.480 1.00 20.00 C HETATM 200 O AIB A 14 25.117 4.152 -0.139 1.00 20.00 O HETATM 201 CB1 AIB A 14 23.074 4.937 -1.617 1.00 20.00 C HETATM 202 CB2 AIB A 14 21.907 5.301 0.581 1.00 20.00 C HETATM 203 H AIB A 14 21.135 3.144 -0.970 1.00 20.00 H HETATM 204 HB11 AIB A 14 22.180 5.000 -2.228 1.00 20.00 H HETATM 205 HB12 AIB A 14 23.797 4.325 -2.126 1.00 20.00 H HETATM 206 HB13 AIB A 14 23.499 5.924 -1.468 1.00 20.00 H HETATM 207 HB21 AIB A 14 22.539 5.726 1.353 1.00 20.00 H HETATM 208 HB22 AIB A 14 21.088 4.791 1.050 1.00 20.00 H HETATM 209 HB23 AIB A 14 21.511 6.083 -0.056 1.00 20.00 H ATOM 210 N PRO A 15 24.027 3.808 1.820 1.00 20.00 N ATOM 211 CA PRO A 15 25.293 3.595 2.545 1.00 20.00 C ATOM 212 C PRO A 15 26.336 2.835 1.726 1.00 20.00 C ATOM 213 O PRO A 15 27.539 3.007 1.926 1.00 20.00 O ATOM 214 CB PRO A 15 24.871 2.774 3.759 1.00 20.00 C ATOM 215 CG PRO A 15 23.507 3.266 4.074 1.00 20.00 C ATOM 216 CD PRO A 15 22.871 3.600 2.752 1.00 20.00 C ATOM 217 HA PRO A 15 25.717 4.532 2.874 1.00 20.00 H ATOM 218 HB2 PRO A 15 24.868 1.724 3.506 1.00 20.00 H ATOM 219 HB3 PRO A 15 25.555 2.955 4.576 1.00 20.00 H ATOM 220 HG2 PRO A 15 22.945 2.492 4.575 1.00 20.00 H ATOM 221 HG3 PRO A 15 23.568 4.148 4.693 1.00 20.00 H ATOM 222 HD2 PRO A 15 22.253 2.780 2.417 1.00 20.00 H ATOM 223 HD3 PRO A 15 22.283 4.503 2.838 1.00 20.00 H HETATM 224 N PHL A 16 25.871 1.992 0.813 1.00 20.00 N HETATM 225 CA PHL A 16 26.799 1.172 -0.063 1.00 20.00 C HETATM 226 C PHL A 16 26.037 -0.186 -0.333 1.00 20.00 C HETATM 227 O PHL A 16 26.807 -1.051 -1.148 1.00 20.00 O HETATM 228 CB PHL A 16 27.627 1.850 -1.121 1.00 20.00 C HETATM 229 CG PHL A 16 29.036 2.203 -0.706 1.00 20.00 C HETATM 230 CD1 PHL A 16 29.496 3.511 -0.800 1.00 20.00 C HETATM 231 CD2 PHL A 16 29.894 1.222 -0.223 1.00 20.00 C HETATM 232 CE1 PHL A 16 30.789 3.834 -0.420 1.00 20.00 C HETATM 233 CE2 PHL A 16 31.187 1.539 0.159 1.00 20.00 C HETATM 234 CZ PHL A 16 31.636 2.847 0.061 1.00 20.00 C HETATM 235 H PHL A 16 24.902 1.895 0.702 1.00 20.00 H HETATM 236 HA PHL A 16 27.619 0.997 0.408 1.00 20.00 H HETATM 237 HC1 PHL A 16 25.102 0.022 -0.832 1.00 20.00 H HETATM 238 HC2 PHL A 16 25.841 -0.679 0.609 1.00 20.00 H HETATM 239 HO PHL A 16 26.229 -1.682 -1.583 1.00 20.00 H HETATM 240 HB2 PHL A 16 27.133 2.765 -1.416 1.00 20.00 H HETATM 241 HB3 PHL A 16 27.695 1.200 -1.979 1.00 20.00 H HETATM 242 HD1 PHL A 16 28.836 4.280 -1.174 1.00 20.00 H HETATM 243 HD2 PHL A 16 29.545 0.203 -0.147 1.00 20.00 H HETATM 244 HE1 PHL A 16 31.137 4.855 -0.497 1.00 20.00 H HETATM 245 HE2 PHL A 16 31.845 0.769 0.533 1.00 20.00 H HETATM 246 HZ PHL A 16 32.644 3.096 0.357 1.00 20.00 H TER 247 PHL A 16