ATOM 1 N GLY A 1 13.751 20.168 20.340 1.00 0.00 N ATOM 2 CA GLY A 1 12.383 19.666 20.655 1.00 0.00 C ATOM 3 C GLY A 1 11.379 20.274 19.683 1.00 0.00 C ATOM 4 O GLY A 1 10.601 21.156 20.047 1.00 0.00 O ATOM 5 H1 GLY A 1 14.267 20.345 21.224 1.00 0.00 H ATOM 6 H2 GLY A 1 13.677 21.054 19.798 1.00 0.00 H ATOM 7 H3 GLY A 1 14.261 19.459 19.779 1.00 0.00 H ATOM 8 HA2 GLY A 1 12.368 18.589 20.565 1.00 0.00 H ATOM 9 HA3 GLY A 1 12.119 19.947 21.663 1.00 0.00 H ATOM 10 N PRO A 2 11.383 19.815 18.459 1.00 0.00 N ATOM 11 CA PRO A 2 10.454 20.318 17.405 1.00 0.00 C ATOM 12 C PRO A 2 8.994 20.251 17.848 1.00 0.00 C ATOM 13 O PRO A 2 8.606 19.365 18.608 1.00 0.00 O ATOM 14 CB PRO A 2 10.709 19.386 16.213 1.00 0.00 C ATOM 15 CG PRO A 2 12.076 18.824 16.436 1.00 0.00 C ATOM 16 CD PRO A 2 12.278 18.767 17.949 1.00 0.00 C ATOM 17 HA PRO A 2 10.713 21.329 17.133 1.00 0.00 H ATOM 18 HB2 PRO A 2 9.974 18.592 16.194 1.00 0.00 H ATOM 19 HB3 PRO A 2 10.685 19.942 15.289 1.00 0.00 H ATOM 20 HG2 PRO A 2 12.142 17.830 16.009 1.00 0.00 H ATOM 21 HG3 PRO A 2 12.821 19.468 15.993 1.00 0.00 H ATOM 22 HD2 PRO A 2 11.992 17.797 18.333 1.00 0.00 H ATOM 23 HD3 PRO A 2 13.302 18.993 18.206 1.00 0.00 H ATOM 24 N LEU A 3 8.190 21.195 17.368 1.00 0.00 N ATOM 25 CA LEU A 3 6.776 21.231 17.722 1.00 0.00 C ATOM 26 C LEU A 3 6.095 19.924 17.326 1.00 0.00 C ATOM 27 O LEU A 3 5.192 19.449 18.013 1.00 0.00 O ATOM 28 CB LEU A 3 6.089 22.401 17.011 1.00 0.00 C ATOM 29 CG LEU A 3 6.818 23.709 17.336 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.087 24.875 16.667 1.00 0.00 C ATOM 31 CD2 LEU A 3 6.844 23.929 18.854 1.00 0.00 C ATOM 32 H LEU A 3 8.554 21.877 16.767 1.00 0.00 H ATOM 33 HA LEU A 3 6.682 21.364 18.789 1.00 0.00 H ATOM 34 HB2 LEU A 3 6.109 22.234 15.944 1.00 0.00 H ATOM 35 HB3 LEU A 3 5.065 22.472 17.344 1.00 0.00 H ATOM 36 HG LEU A 3 7.831 23.657 16.960 1.00 0.00 H ATOM 37 HD11 LEU A 3 5.085 24.946 17.062 1.00 0.00 H ATOM 38 HD12 LEU A 3 6.043 24.708 15.601 1.00 0.00 H ATOM 39 HD13 LEU A 3 6.619 25.795 16.864 1.00 0.00 H ATOM 40 HD21 LEU A 3 5.920 23.577 19.287 1.00 0.00 H ATOM 41 HD22 LEU A 3 6.962 24.982 19.065 1.00 0.00 H ATOM 42 HD23 LEU A 3 7.673 23.383 19.282 1.00 0.00 H ATOM 43 N GLY A 4 6.537 19.349 16.211 1.00 50.00 N ATOM 44 CA GLY A 4 5.966 18.097 15.725 1.00 50.00 C ATOM 45 C GLY A 4 4.775 18.360 14.812 1.00 50.00 C ATOM 46 O GLY A 4 4.351 19.504 14.644 1.00 50.00 O ATOM 47 H GLY A 4 7.260 19.775 15.704 1.00 0.00 H ATOM 48 HA2 GLY A 4 6.722 17.552 15.178 1.00 0.00 H ATOM 49 HA3 GLY A 4 5.639 17.504 16.567 1.00 0.00 H ATOM 50 N SER A 5 4.239 17.296 14.220 1.00 50.00 N ATOM 51 CA SER A 5 3.096 17.427 13.322 1.00 50.00 C ATOM 52 C SER A 5 2.205 16.191 13.399 1.00 50.00 C ATOM 53 O SER A 5 2.687 15.076 13.596 1.00 50.00 O ATOM 54 CB SER A 5 3.582 17.616 11.884 1.00 50.00 C ATOM 55 OG SER A 5 2.464 17.854 11.038 1.00 50.00 O ATOM 56 H SER A 5 4.619 16.409 14.389 1.00 0.00 H ATOM 57 HA SER A 5 2.518 18.292 13.609 1.00 0.00 H ATOM 58 HB2 SER A 5 4.248 18.461 11.836 1.00 0.00 H ATOM 59 HB3 SER A 5 4.108 16.726 11.563 1.00 0.00 H ATOM 60 HG SER A 5 2.794 18.162 10.192 1.00 0.00 H ATOM 61 N ASP A 6 0.902 16.399 13.233 1.00 50.00 N ATOM 62 CA ASP A 6 -0.051 15.296 13.278 1.00 50.00 C ATOM 63 C ASP A 6 0.173 14.357 12.097 1.00 50.00 C ATOM 64 O ASP A 6 0.738 14.757 11.078 1.00 50.00 O ATOM 65 CB ASP A 6 -1.480 15.841 13.235 1.00 50.00 C ATOM 66 CG ASP A 6 -1.773 16.635 14.504 1.00 50.00 C ATOM 67 OD1 ASP A 6 -0.992 16.535 15.435 1.00 50.00 O ATOM 68 OD2 ASP A 6 -2.774 17.332 14.524 1.00 50.00 O ATOM 69 H ASP A 6 0.578 17.309 13.074 1.00 0.00 H ATOM 70 HA ASP A 6 0.088 14.747 14.196 1.00 0.00 H ATOM 71 HB2 ASP A 6 -1.593 16.484 12.375 1.00 0.00 H ATOM 72 HB3 ASP A 6 -2.175 15.017 13.161 1.00 0.00 H ATOM 73 N THR A 7 -0.268 13.111 12.234 1.00 50.00 N ATOM 74 CA THR A 7 -0.099 12.137 11.161 1.00 50.00 C ATOM 75 C THR A 7 -1.177 12.311 10.103 1.00 50.00 C ATOM 76 O THR A 7 -2.085 13.130 10.245 1.00 50.00 O ATOM 77 CB THR A 7 -0.153 10.708 11.700 1.00 50.00 C ATOM 78 OG1 THR A 7 -1.474 10.419 12.139 1.00 50.00 O ATOM 79 CG2 THR A 7 0.822 10.560 12.868 1.00 50.00 C ATOM 80 H THR A 7 -0.711 12.843 13.067 1.00 0.00 H ATOM 81 HA THR A 7 0.865 12.294 10.700 1.00 0.00 H ATOM 82 HB THR A 7 0.124 10.020 10.910 1.00 0.00 H ATOM 83 HG1 THR A 7 -1.419 9.755 12.830 1.00 0.00 H ATOM 84 HG21 THR A 7 1.807 10.874 12.556 1.00 0.00 H ATOM 85 HG22 THR A 7 0.855 9.527 13.180 1.00 0.00 H ATOM 86 HG23 THR A 7 0.492 11.176 13.691 1.00 0.00 H ATOM 87 N LYS A 8 -1.050 11.542 9.033 1.00 25.00 N ATOM 88 CA LYS A 8 -1.990 11.608 7.924 1.00 25.00 C ATOM 89 C LYS A 8 -2.513 10.222 7.564 1.00 25.00 C ATOM 90 O LYS A 8 -2.126 9.216 8.158 1.00 25.00 O ATOM 91 CB LYS A 8 -1.281 12.196 6.708 1.00 50.00 C ATOM 92 CG LYS A 8 -0.196 11.216 6.268 1.00 50.00 C ATOM 93 CD LYS A 8 0.481 11.703 4.990 1.00 50.00 C ATOM 94 CE LYS A 8 1.023 10.484 4.249 1.00 50.00 C ATOM 95 NZ LYS A 8 1.958 10.920 3.174 1.00 50.00 N ATOM 96 H LYS A 8 -0.294 10.920 8.979 1.00 0.00 H ATOM 97 HA LYS A 8 -2.823 12.240 8.181 1.00 0.00 H ATOM 98 HB2 LYS A 8 -1.991 12.343 5.908 1.00 0.00 H ATOM 99 HB3 LYS A 8 -0.829 13.140 6.971 1.00 0.00 H ATOM 100 HG2 LYS A 8 0.543 11.129 7.050 1.00 0.00 H ATOM 101 HG3 LYS A 8 -0.636 10.251 6.088 1.00 0.00 H ATOM 102 HD2 LYS A 8 -0.238 12.220 4.368 1.00 0.00 H ATOM 103 HD3 LYS A 8 1.295 12.368 5.237 1.00 0.00 H ATOM 104 HE2 LYS A 8 1.543 9.846 4.950 1.00 0.00 H ATOM 105 HE3 LYS A 8 0.197 9.938 3.816 1.00 0.00 H ATOM 106 HZ1 LYS A 8 1.539 10.713 2.246 1.00 0.00 H ATOM 107 HZ2 LYS A 8 2.859 10.408 3.271 1.00 0.00 H ATOM 108 HZ3 LYS A 8 2.129 11.942 3.255 1.00 0.00 H ATOM 109 N LEU A 9 -3.378 10.195 6.563 1.00 16.66 N ATOM 110 CA LEU A 9 -3.957 8.954 6.073 1.00 16.66 C ATOM 111 C LEU A 9 -2.859 8.043 5.507 1.00 16.66 C ATOM 112 O LEU A 9 -1.693 8.431 5.483 1.00 16.66 O ATOM 113 CB LEU A 9 -5.014 9.283 5.015 1.00 25.00 C ATOM 114 CG LEU A 9 -4.393 9.876 3.744 1.00 25.00 C ATOM 115 CD1 LEU A 9 -3.359 10.953 4.081 1.00 50.00 C ATOM 116 CD2 LEU A 9 -3.734 8.765 2.934 1.00 50.00 C ATOM 117 H LEU A 9 -3.626 11.036 6.130 1.00 0.00 H ATOM 118 HA LEU A 9 -4.436 8.446 6.897 1.00 0.00 H ATOM 119 HB2 LEU A 9 -5.535 8.389 4.754 1.00 0.00 H ATOM 120 HB3 LEU A 9 -5.712 9.994 5.427 1.00 0.00 H ATOM 121 HG LEU A 9 -5.179 10.324 3.151 1.00 0.00 H ATOM 122 HD11 LEU A 9 -3.802 11.683 4.741 1.00 0.00 H ATOM 123 HD12 LEU A 9 -3.043 11.442 3.171 1.00 0.00 H ATOM 124 HD13 LEU A 9 -2.503 10.500 4.558 1.00 0.00 H ATOM 125 HD21 LEU A 9 -4.193 7.816 3.176 1.00 0.00 H ATOM 126 HD22 LEU A 9 -2.681 8.725 3.161 1.00 0.00 H ATOM 127 HD23 LEU A 9 -3.871 8.972 1.892 1.00 0.00 H ATOM 128 N TYR A 10 -3.207 6.823 5.074 1.00 25.00 N ATOM 129 CA TYR A 10 -2.189 5.909 4.554 1.00 25.00 C ATOM 130 C TYR A 10 -2.133 5.942 3.025 1.00 25.00 C ATOM 131 O TYR A 10 -1.193 6.477 2.437 1.00 25.00 O ATOM 132 CB TYR A 10 -2.514 4.504 5.050 1.00 25.00 C ATOM 133 CG TYR A 10 -2.961 4.609 6.489 1.00 25.00 C ATOM 134 CD1 TYR A 10 -4.270 5.005 6.781 1.00 25.00 C ATOM 135 CD2 TYR A 10 -2.065 4.338 7.526 1.00 25.00 C ATOM 136 CE1 TYR A 10 -4.685 5.125 8.114 1.00 25.00 C ATOM 137 CE2 TYR A 10 -2.477 4.460 8.859 1.00 25.00 C ATOM 138 CZ TYR A 10 -3.787 4.853 9.153 1.00 25.00 C ATOM 139 OH TYR A 10 -4.196 4.975 10.466 1.00 25.00 O ATOM 140 H TYR A 10 -4.149 6.519 5.118 1.00 0.00 H ATOM 141 HA TYR A 10 -1.223 6.197 4.944 1.00 0.00 H ATOM 142 HB2 TYR A 10 -3.309 4.083 4.451 1.00 0.00 H ATOM 143 HB3 TYR A 10 -1.636 3.882 4.989 1.00 0.00 H ATOM 144 HD1 TYR A 10 -4.962 5.211 5.978 1.00 0.00 H ATOM 145 HD2 TYR A 10 -1.059 4.028 7.298 1.00 0.00 H ATOM 146 HE1 TYR A 10 -5.697 5.427 8.339 1.00 0.00 H ATOM 147 HE2 TYR A 10 -1.783 4.251 9.660 1.00 0.00 H ATOM 148 HH TYR A 10 -4.414 5.896 10.623 1.00 0.00 H ATOM 149 N CYS A 11 -3.142 5.361 2.396 1.00 16.66 N ATOM 150 CA CYS A 11 -3.225 5.310 0.940 1.00 16.66 C ATOM 151 C CYS A 11 -2.750 6.607 0.307 1.00 16.66 C ATOM 152 O CYS A 11 -3.395 7.644 0.424 1.00 16.66 O ATOM 153 CB CYS A 11 -4.674 5.032 0.534 1.00 16.66 C ATOM 154 SG CYS A 11 -4.952 5.375 -1.249 1.00 16.66 S ATOM 155 H CYS A 11 -3.841 4.941 2.921 1.00 0.00 H ATOM 156 HA CYS A 11 -2.612 4.511 0.588 1.00 0.00 H ATOM 157 HB2 CYS A 11 -4.904 3.997 0.734 1.00 0.00 H ATOM 158 HB3 CYS A 11 -5.325 5.658 1.122 1.00 0.00 H ATOM 159 N ILE A 12 -1.619 6.526 -0.385 1.00 16.66 N ATOM 160 CA ILE A 12 -1.050 7.683 -1.062 1.00 16.66 C ATOM 161 C ILE A 12 -2.134 8.391 -1.868 1.00 16.66 C ATOM 162 O ILE A 12 -1.932 9.481 -2.402 1.00 16.66 O ATOM 163 CB ILE A 12 0.079 7.207 -1.987 1.00 50.00 C ATOM 164 CG1 ILE A 12 -0.521 6.576 -3.256 1.00 50.00 C ATOM 165 CG2 ILE A 12 0.917 6.155 -1.248 1.00 50.00 C ATOM 166 CD1 ILE A 12 0.599 6.112 -4.189 1.00 50.00 C ATOM 167 H ILE A 12 -1.162 5.661 -0.452 1.00 0.00 H ATOM 168 HA ILE A 12 -0.647 8.364 -0.329 1.00 0.00 H ATOM 169 HB ILE A 12 0.704 8.045 -2.256 1.00 0.00 H ATOM 170 HG12 ILE A 12 -1.132 5.728 -2.981 1.00 0.00 H ATOM 171 HG13 ILE A 12 -1.129 7.304 -3.771 1.00 0.00 H ATOM 172 HG21 ILE A 12 0.459 5.182 -1.364 1.00 0.00 H ATOM 173 HG22 ILE A 12 0.970 6.402 -0.197 1.00 0.00 H ATOM 174 HG23 ILE A 12 1.913 6.131 -1.662 1.00 0.00 H ATOM 175 HD11 ILE A 12 1.083 6.975 -4.625 1.00 0.00 H ATOM 176 HD12 ILE A 12 0.179 5.501 -4.976 1.00 0.00 H ATOM 177 HD13 ILE A 12 1.323 5.534 -3.633 1.00 0.00 H ATOM 178 N CYS A 13 -3.283 7.737 -1.946 1.00 16.66 N ATOM 179 CA CYS A 13 -4.428 8.249 -2.675 1.00 16.66 C ATOM 180 C CYS A 13 -5.252 9.179 -1.785 1.00 16.66 C ATOM 181 O CYS A 13 -6.469 9.289 -1.935 1.00 16.66 O ATOM 182 CB CYS A 13 -5.282 7.067 -3.156 1.00 16.66 C ATOM 183 SG CYS A 13 -5.035 5.626 -2.037 1.00 16.66 S ATOM 184 H CYS A 13 -3.362 6.874 -1.496 1.00 0.00 H ATOM 185 HA CYS A 13 -4.080 8.801 -3.535 1.00 0.00 H ATOM 186 HB2 CYS A 13 -6.325 7.347 -3.155 1.00 0.00 H ATOM 187 HB3 CYS A 13 -4.985 6.794 -4.157 1.00 0.00 H ATOM 188 N LYS A 14 -4.570 9.849 -0.861 1.00 16.66 N ATOM 189 CA LYS A 14 -5.219 10.781 0.060 1.00 16.66 C ATOM 190 C LYS A 14 -6.529 10.222 0.618 1.00 16.66 C ATOM 191 O LYS A 14 -7.587 10.833 0.469 1.00 16.66 O ATOM 192 CB LYS A 14 -5.468 12.139 -0.615 1.00 25.00 C ATOM 193 CG LYS A 14 -6.276 11.971 -1.907 1.00 25.00 C ATOM 194 CD LYS A 14 -6.535 13.349 -2.522 1.00 25.00 C ATOM 195 CE LYS A 14 -7.408 13.204 -3.772 1.00 25.00 C ATOM 196 NZ LYS A 14 -8.465 12.182 -3.532 1.00 25.00 N ATOM 197 H LYS A 14 -3.601 9.717 -0.798 1.00 0.00 H ATOM 198 HA LYS A 14 -4.550 10.944 0.892 1.00 0.00 H ATOM 199 HB2 LYS A 14 -6.014 12.778 0.062 1.00 0.00 H ATOM 200 HB3 LYS A 14 -4.519 12.599 -0.848 1.00 0.00 H ATOM 201 HG2 LYS A 14 -5.715 11.372 -2.609 1.00 0.00 H ATOM 202 HG3 LYS A 14 -7.217 11.492 -1.689 1.00 0.00 H ATOM 203 HD2 LYS A 14 -7.042 13.974 -1.800 1.00 0.00 H ATOM 204 HD3 LYS A 14 -5.594 13.804 -2.793 1.00 0.00 H ATOM 205 HE2 LYS A 14 -7.871 14.154 -3.998 1.00 0.00 H ATOM 206 HE3 LYS A 14 -6.793 12.898 -4.605 1.00 0.00 H ATOM 207 HZ1 LYS A 14 -9.043 12.074 -4.390 1.00 0.00 H ATOM 208 HZ2 LYS A 14 -9.069 12.486 -2.742 1.00 0.00 H ATOM 209 HZ3 LYS A 14 -8.020 11.271 -3.301 1.00 0.00 H ATOM 210 N THR A 15 -6.446 9.073 1.287 1.00 25.00 N ATOM 211 CA THR A 15 -7.631 8.461 1.889 1.00 25.00 C ATOM 212 C THR A 15 -7.216 7.535 3.044 1.00 25.00 C ATOM 213 O THR A 15 -6.408 6.628 2.852 1.00 25.00 O ATOM 214 CB THR A 15 -8.405 7.666 0.826 1.00 50.00 C ATOM 215 OG1 THR A 15 -7.644 7.621 -0.372 1.00 50.00 O ATOM 216 CG2 THR A 15 -9.749 8.344 0.544 1.00 50.00 C ATOM 217 H THR A 15 -5.573 8.638 1.393 1.00 0.00 H ATOM 218 HA THR A 15 -8.264 9.245 2.266 1.00 0.00 H ATOM 219 HB THR A 15 -8.583 6.662 1.179 1.00 0.00 H ATOM 220 HG1 THR A 15 -6.720 7.739 -0.141 1.00 0.00 H ATOM 221 HG21 THR A 15 -10.328 8.388 1.456 1.00 0.00 H ATOM 222 HG22 THR A 15 -10.291 7.777 -0.198 1.00 0.00 H ATOM 223 HG23 THR A 15 -9.579 9.345 0.177 1.00 0.00 H ATOM 224 N PRO A 16 -7.742 7.743 4.232 1.00 50.00 N ATOM 225 CA PRO A 16 -7.401 6.901 5.426 1.00 50.00 C ATOM 226 C PRO A 16 -7.678 5.414 5.217 1.00 50.00 C ATOM 227 O PRO A 16 -8.383 5.023 4.286 1.00 50.00 O ATOM 228 CB PRO A 16 -8.265 7.468 6.552 1.00 50.00 C ATOM 229 CG PRO A 16 -8.704 8.821 6.101 1.00 50.00 C ATOM 230 CD PRO A 16 -8.706 8.802 4.576 1.00 50.00 C ATOM 231 HA PRO A 16 -6.366 7.031 5.684 1.00 0.00 H ATOM 232 HB2 PRO A 16 -9.119 6.831 6.717 1.00 0.00 H ATOM 233 HB3 PRO A 16 -7.679 7.553 7.455 1.00 0.00 H ATOM 234 HG2 PRO A 16 -9.699 9.031 6.475 1.00 0.00 H ATOM 235 HG3 PRO A 16 -8.012 9.572 6.453 1.00 0.00 H ATOM 236 HD2 PRO A 16 -9.691 8.560 4.200 1.00 0.00 H ATOM 237 HD3 PRO A 16 -8.372 9.752 4.191 1.00 0.00 H ATOM 238 N TYR A 17 -7.101 4.594 6.094 1.00 25.00 N ATOM 239 CA TYR A 17 -7.264 3.152 6.014 1.00 25.00 C ATOM 240 C TYR A 17 -8.723 2.770 6.137 1.00 25.00 C ATOM 241 O TYR A 17 -9.491 3.404 6.862 1.00 25.00 O ATOM 242 CB TYR A 17 -6.491 2.465 7.133 1.00 25.00 C ATOM 243 CG TYR A 17 -6.341 0.999 6.818 1.00 25.00 C ATOM 244 CD1 TYR A 17 -7.418 0.126 6.997 1.00 25.00 C ATOM 245 CD2 TYR A 17 -5.119 0.515 6.341 1.00 25.00 C ATOM 246 CE1 TYR A 17 -7.271 -1.232 6.699 1.00 50.00 C ATOM 247 CE2 TYR A 17 -4.972 -0.842 6.048 1.00 25.00 C ATOM 248 CZ TYR A 17 -6.048 -1.716 6.227 1.00 50.00 C ATOM 249 OH TYR A 17 -5.902 -3.059 5.943 1.00 50.00 O ATOM 250 H TYR A 17 -6.545 4.969 6.807 1.00 0.00 H ATOM 251 HA TYR A 17 -6.887 2.807 5.064 1.00 0.00 H ATOM 252 HB2 TYR A 17 -5.518 2.910 7.222 1.00 0.00 H ATOM 253 HB3 TYR A 17 -7.028 2.577 8.063 1.00 0.00 H ATOM 254 HD1 TYR A 17 -8.362 0.500 7.363 1.00 0.00 H ATOM 255 HD2 TYR A 17 -4.289 1.190 6.202 1.00 0.00 H ATOM 256 HE1 TYR A 17 -8.101 -1.904 6.828 1.00 0.00 H ATOM 257 HE2 TYR A 17 -4.032 -1.211 5.672 1.00 0.00 H ATOM 258 HH TYR A 17 -6.758 -3.479 6.047 1.00 0.00 H ATOM 259 N ASP A 18 -9.086 1.722 5.428 1.00 25.00 N ATOM 260 CA ASP A 18 -10.457 1.230 5.450 1.00 25.00 C ATOM 261 C ASP A 18 -10.487 -0.297 5.427 1.00 25.00 C ATOM 262 O ASP A 18 -10.136 -0.915 4.424 1.00 25.00 O ATOM 263 CB ASP A 18 -11.211 1.786 4.246 1.00 50.00 C ATOM 264 CG ASP A 18 -11.547 3.257 4.466 1.00 50.00 C ATOM 265 OD1 ASP A 18 -11.387 3.725 5.580 1.00 50.00 O ATOM 266 OD2 ASP A 18 -11.961 3.898 3.513 1.00 50.00 O ATOM 267 H ASP A 18 -8.412 1.266 4.880 1.00 0.00 H ATOM 268 HA ASP A 18 -10.941 1.572 6.353 1.00 0.00 H ATOM 269 HB2 ASP A 18 -10.589 1.692 3.370 1.00 0.00 H ATOM 270 HB3 ASP A 18 -12.121 1.227 4.106 1.00 0.00 H ATOM 271 N GLU A 19 -10.917 -0.899 6.531 1.00 25.00 N ATOM 272 CA GLU A 19 -10.991 -2.356 6.619 1.00 25.00 C ATOM 273 C GLU A 19 -11.797 -2.919 5.456 1.00 25.00 C ATOM 274 O GLU A 19 -11.634 -4.078 5.076 1.00 25.00 O ATOM 275 CB GLU A 19 -11.639 -2.769 7.940 1.00 50.00 C ATOM 276 CG GLU A 19 -10.769 -2.297 9.106 1.00 50.00 C ATOM 277 CD GLU A 19 -11.371 -2.767 10.425 1.00 50.00 C ATOM 278 OE1 GLU A 19 -12.482 -3.270 10.401 1.00 50.00 O ATOM 279 OE2 GLU A 19 -10.712 -2.618 11.441 1.00 50.00 O ATOM 280 H GLU A 19 -11.192 -0.356 7.299 1.00 0.00 H ATOM 281 HA GLU A 19 -9.995 -2.764 6.578 1.00 0.00 H ATOM 282 HB2 GLU A 19 -12.617 -2.321 8.014 1.00 0.00 H ATOM 283 HB3 GLU A 19 -11.728 -3.844 7.973 1.00 0.00 H ATOM 284 HG2 GLU A 19 -9.775 -2.703 8.999 1.00 0.00 H ATOM 285 HG3 GLU A 19 -10.719 -1.218 9.101 1.00 0.00 H ATOM 286 N SER A 20 -12.641 -2.078 4.878 1.00 50.00 N ATOM 287 CA SER A 20 -13.445 -2.489 3.732 1.00 50.00 C ATOM 288 C SER A 20 -12.515 -2.629 2.546 1.00 50.00 C ATOM 289 O SER A 20 -12.711 -3.450 1.650 1.00 50.00 O ATOM 290 CB SER A 20 -14.523 -1.445 3.433 1.00 50.00 C ATOM 291 OG SER A 20 -15.295 -1.220 4.605 1.00 50.00 O ATOM 292 H SER A 20 -12.690 -1.156 5.203 1.00 0.00 H ATOM 293 HA SER A 20 -13.910 -3.441 3.940 1.00 0.00 H ATOM 294 HB2 SER A 20 -14.059 -0.521 3.131 1.00 0.00 H ATOM 295 HB3 SER A 20 -15.159 -1.805 2.634 1.00 0.00 H ATOM 296 HG SER A 20 -15.044 -0.368 4.967 1.00 0.00 H ATOM 297 N LYS A 21 -11.482 -1.810 2.597 1.00 16.66 N ATOM 298 CA LYS A 21 -10.444 -1.777 1.595 1.00 16.66 C ATOM 299 C LYS A 21 -9.260 -2.546 2.124 1.00 16.66 C ATOM 300 O LYS A 21 -9.041 -2.604 3.332 1.00 16.66 O ATOM 301 CB LYS A 21 -10.084 -0.322 1.334 1.00 16.66 C ATOM 302 CG LYS A 21 -9.810 -0.121 -0.158 1.00 16.66 C ATOM 303 CD LYS A 21 -10.297 1.270 -0.608 1.00 25.00 C ATOM 304 CE LYS A 21 -11.700 1.152 -1.209 1.00 50.00 C ATOM 305 NZ LYS A 21 -12.189 2.504 -1.600 1.00 50.00 N ATOM 306 H LYS A 21 -11.401 -1.206 3.364 1.00 0.00 H ATOM 307 HA LYS A 21 -10.768 -2.230 0.676 1.00 0.00 H ATOM 308 HB2 LYS A 21 -10.910 0.304 1.640 1.00 0.00 H ATOM 309 HB3 LYS A 21 -9.206 -0.063 1.904 1.00 0.00 H ATOM 310 HG2 LYS A 21 -8.755 -0.213 -0.327 1.00 0.00 H ATOM 311 HG3 LYS A 21 -10.326 -0.879 -0.726 1.00 0.00 H ATOM 312 HD2 LYS A 21 -10.329 1.942 0.237 1.00 0.00 H ATOM 313 HD3 LYS A 21 -9.625 1.665 -1.354 1.00 0.00 H ATOM 314 HE2 LYS A 21 -11.666 0.515 -2.080 1.00 0.00 H ATOM 315 HE3 LYS A 21 -12.370 0.725 -0.477 1.00 0.00 H ATOM 316 HZ1 LYS A 21 -11.725 2.798 -2.483 1.00 0.00 H ATOM 317 HZ2 LYS A 21 -11.963 3.185 -0.846 1.00 0.00 H ATOM 318 HZ3 LYS A 21 -13.217 2.473 -1.745 1.00 0.00 H ATOM 319 N PHE A 22 -8.508 -3.157 1.238 1.00 16.66 N ATOM 320 CA PHE A 22 -7.364 -3.923 1.672 1.00 16.66 C ATOM 321 C PHE A 22 -6.095 -3.217 1.302 1.00 16.66 C ATOM 322 O PHE A 22 -6.052 -2.440 0.349 1.00 16.66 O ATOM 323 CB PHE A 22 -7.373 -5.287 1.066 1.00 16.66 C ATOM 324 CG PHE A 22 -7.232 -5.124 -0.402 1.00 16.66 C ATOM 325 CD1 PHE A 22 -5.967 -4.950 -0.951 1.00 16.66 C ATOM 326 CD2 PHE A 22 -8.366 -5.093 -1.204 1.00 16.66 C ATOM 327 CE1 PHE A 22 -5.828 -4.754 -2.316 1.00 16.66 C ATOM 328 CE2 PHE A 22 -8.237 -4.889 -2.570 1.00 16.66 C ATOM 329 CZ PHE A 22 -6.966 -4.720 -3.134 1.00 16.66 C ATOM 330 H PHE A 22 -8.728 -3.101 0.284 1.00 0.00 H ATOM 331 HA PHE A 22 -7.394 -4.029 2.725 1.00 0.00 H ATOM 332 HB2 PHE A 22 -6.544 -5.848 1.462 1.00 0.00 H ATOM 333 HB3 PHE A 22 -8.303 -5.769 1.301 1.00 0.00 H ATOM 334 HD1 PHE A 22 -5.093 -4.975 -0.317 1.00 0.00 H ATOM 335 HD2 PHE A 22 -9.343 -5.228 -0.767 1.00 0.00 H ATOM 336 HE1 PHE A 22 -4.844 -4.627 -2.732 1.00 0.00 H ATOM 337 HE2 PHE A 22 -9.114 -4.865 -3.186 1.00 0.00 H ATOM 338 HZ PHE A 22 -6.867 -4.555 -4.193 1.00 0.00 H ATOM 339 N TYR A 23 -5.073 -3.460 2.091 1.00 16.66 N ATOM 340 CA TYR A 23 -3.814 -2.800 1.880 1.00 16.66 C ATOM 341 C TYR A 23 -2.646 -3.736 1.774 1.00 16.66 C ATOM 342 O TYR A 23 -2.681 -4.903 2.164 1.00 16.66 O ATOM 343 CB TYR A 23 -3.562 -1.849 3.033 1.00 16.66 C ATOM 344 CG TYR A 23 -4.739 -0.921 3.106 1.00 16.66 C ATOM 345 CD1 TYR A 23 -5.984 -1.401 3.496 1.00 50.00 C ATOM 346 CD2 TYR A 23 -4.589 0.411 2.752 1.00 50.00 C ATOM 347 CE1 TYR A 23 -7.075 -0.543 3.534 1.00 50.00 C ATOM 348 CE2 TYR A 23 -5.671 1.275 2.787 1.00 50.00 C ATOM 349 CZ TYR A 23 -6.926 0.802 3.180 1.00 50.00 C ATOM 350 OH TYR A 23 -8.009 1.657 3.227 1.00 50.00 O ATOM 351 H TYR A 23 -5.187 -4.061 2.852 1.00 0.00 H ATOM 352 HA TYR A 23 -3.867 -2.216 0.975 1.00 0.00 H ATOM 353 HB2 TYR A 23 -3.462 -2.408 3.954 1.00 0.00 H ATOM 354 HB3 TYR A 23 -2.658 -1.284 2.850 1.00 0.00 H ATOM 355 HD1 TYR A 23 -6.107 -2.435 3.772 1.00 0.00 H ATOM 356 HD2 TYR A 23 -3.638 0.771 2.457 1.00 0.00 H ATOM 357 HE1 TYR A 23 -8.027 -0.921 3.829 1.00 0.00 H ATOM 358 HE2 TYR A 23 -5.535 2.303 2.501 1.00 0.00 H ATOM 359 HH TYR A 23 -7.685 2.554 3.106 1.00 0.00 H ATOM 360 N ILE A 24 -1.600 -3.132 1.287 1.00 16.66 N ATOM 361 CA ILE A 24 -0.311 -3.767 1.134 1.00 16.66 C ATOM 362 C ILE A 24 0.668 -2.856 1.842 1.00 16.66 C ATOM 363 O ILE A 24 0.759 -1.669 1.531 1.00 16.66 O ATOM 364 CB ILE A 24 0.058 -3.946 -0.345 1.00 16.66 C ATOM 365 CG1 ILE A 24 -0.011 -2.603 -1.093 1.00 16.66 C ATOM 366 CG2 ILE A 24 -0.897 -4.951 -0.995 1.00 16.66 C ATOM 367 CD1 ILE A 24 -1.343 -1.886 -0.833 1.00 16.66 C ATOM 368 H ILE A 24 -1.696 -2.176 1.067 1.00 0.00 H ATOM 369 HA ILE A 24 -0.322 -4.731 1.626 1.00 0.00 H ATOM 370 HB ILE A 24 1.062 -4.335 -0.407 1.00 0.00 H ATOM 371 HG12 ILE A 24 0.794 -1.976 -0.756 1.00 0.00 H ATOM 372 HG13 ILE A 24 0.100 -2.784 -2.153 1.00 0.00 H ATOM 373 HG21 ILE A 24 -0.501 -5.259 -1.953 1.00 0.00 H ATOM 374 HG22 ILE A 24 -1.865 -4.494 -1.136 1.00 0.00 H ATOM 375 HG23 ILE A 24 -0.996 -5.816 -0.355 1.00 0.00 H ATOM 376 HD11 ILE A 24 -1.590 -1.264 -1.679 1.00 0.00 H ATOM 377 HD12 ILE A 24 -1.248 -1.260 0.048 1.00 0.00 H ATOM 378 HD13 ILE A 24 -2.133 -2.609 -0.677 1.00 0.00 H ATOM 379 N GLY A 25 1.320 -3.374 2.863 1.00 16.66 N ATOM 380 CA GLY A 25 2.186 -2.539 3.669 1.00 16.66 C ATOM 381 C GLY A 25 3.589 -2.331 3.124 1.00 16.66 C ATOM 382 O GLY A 25 4.337 -3.277 2.873 1.00 16.66 O ATOM 383 H GLY A 25 1.156 -4.305 3.124 1.00 0.00 H ATOM 384 HA2 GLY A 25 1.718 -1.571 3.761 1.00 0.00 H ATOM 385 HA3 GLY A 25 2.256 -2.974 4.653 1.00 0.00 H ATOM 386 N CYS A 26 3.943 -1.054 3.023 1.00 16.66 N ATOM 387 CA CYS A 26 5.258 -0.630 2.604 1.00 16.66 C ATOM 388 C CYS A 26 6.286 -1.428 3.403 1.00 16.66 C ATOM 389 O CYS A 26 6.452 -1.200 4.601 1.00 16.66 O ATOM 390 CB CYS A 26 5.371 0.866 2.963 1.00 16.66 C ATOM 391 SG CYS A 26 6.404 1.809 1.759 1.00 16.66 S ATOM 392 H CYS A 26 3.309 -0.371 3.281 1.00 0.00 H ATOM 393 HA CYS A 26 5.392 -0.780 1.546 1.00 0.00 H ATOM 394 HB2 CYS A 26 4.381 1.296 2.981 1.00 0.00 H ATOM 395 HB3 CYS A 26 5.801 0.951 3.939 1.00 0.00 H ATOM 396 N ASP A 27 6.956 -2.372 2.761 1.00 16.66 N ATOM 397 CA ASP A 27 7.934 -3.183 3.473 1.00 16.66 C ATOM 398 C ASP A 27 8.906 -2.299 4.234 1.00 16.66 C ATOM 399 O ASP A 27 9.330 -2.641 5.339 1.00 16.66 O ATOM 400 CB ASP A 27 8.709 -4.079 2.504 1.00 25.00 C ATOM 401 CG ASP A 27 7.843 -5.258 2.075 1.00 25.00 C ATOM 402 OD1 ASP A 27 6.726 -5.353 2.556 1.00 25.00 O ATOM 403 OD2 ASP A 27 8.311 -6.053 1.276 1.00 25.00 O ATOM 404 H ASP A 27 6.785 -2.535 1.810 1.00 0.00 H ATOM 405 HA ASP A 27 7.411 -3.810 4.181 1.00 0.00 H ATOM 406 HB2 ASP A 27 8.989 -3.503 1.636 1.00 0.00 H ATOM 407 HB3 ASP A 27 9.599 -4.448 2.992 1.00 0.00 H ATOM 408 N ARG A 28 9.266 -1.168 3.639 1.00 16.66 N ATOM 409 CA ARG A 28 10.204 -0.257 4.278 1.00 16.66 C ATOM 410 C ARG A 28 9.550 1.077 4.644 1.00 16.66 C ATOM 411 O ARG A 28 10.124 1.842 5.416 1.00 16.66 O ATOM 412 CB ARG A 28 11.430 -0.059 3.358 1.00 16.66 C ATOM 413 CG ARG A 28 11.513 1.377 2.788 1.00 16.66 C ATOM 414 CD ARG A 28 12.609 2.177 3.502 1.00 50.00 C ATOM 415 NE ARG A 28 12.086 2.787 4.718 1.00 50.00 N ATOM 416 CZ ARG A 28 12.873 3.479 5.535 1.00 50.00 C ATOM 417 NH1 ARG A 28 14.141 3.615 5.261 1.00 50.00 N ATOM 418 NH2 ARG A 28 12.375 4.024 6.613 1.00 50.00 N ATOM 419 H ARG A 28 8.904 -0.949 2.755 1.00 0.00 H ATOM 420 HA ARG A 28 10.548 -0.716 5.195 1.00 0.00 H ATOM 421 HB2 ARG A 28 12.326 -0.275 3.917 1.00 0.00 H ATOM 422 HB3 ARG A 28 11.359 -0.757 2.535 1.00 0.00 H ATOM 423 HG2 ARG A 28 11.751 1.325 1.736 1.00 0.00 H ATOM 424 HG3 ARG A 28 10.569 1.881 2.910 1.00 0.00 H ATOM 425 HD2 ARG A 28 13.428 1.523 3.753 1.00 0.00 H ATOM 426 HD3 ARG A 28 12.967 2.950 2.839 1.00 0.00 H ATOM 427 HE ARG A 28 11.135 2.688 4.935 1.00 0.00 H ATOM 428 HH11 ARG A 28 14.521 3.197 4.436 1.00 0.00 H ATOM 429 HH12 ARG A 28 14.733 4.135 5.877 1.00 0.00 H ATOM 430 HH21 ARG A 28 11.403 3.921 6.824 1.00 0.00 H ATOM 431 HH22 ARG A 28 12.968 4.545 7.228 1.00 0.00 H ATOM 432 N CYS A 29 8.359 1.378 4.102 1.00 16.66 N ATOM 433 CA CYS A 29 7.726 2.647 4.425 1.00 16.66 C ATOM 434 C CYS A 29 6.594 2.477 5.440 1.00 16.66 C ATOM 435 O CYS A 29 5.794 3.389 5.649 1.00 16.66 O ATOM 436 CB CYS A 29 7.211 3.331 3.160 1.00 16.66 C ATOM 437 SG CYS A 29 6.933 2.121 1.766 1.00 16.66 S ATOM 438 H CYS A 29 7.911 0.757 3.483 1.00 0.00 H ATOM 439 HA CYS A 29 8.470 3.292 4.871 1.00 0.00 H ATOM 440 HB2 CYS A 29 6.280 3.830 3.388 1.00 0.00 H ATOM 441 HB3 CYS A 29 7.934 4.069 2.849 1.00 0.00 H ATOM 442 N GLN A 30 6.552 1.312 6.077 1.00 16.66 N ATOM 443 CA GLN A 30 5.544 1.016 7.097 1.00 16.66 C ATOM 444 C GLN A 30 4.218 1.743 6.853 1.00 16.66 C ATOM 445 O GLN A 30 3.663 2.347 7.772 1.00 16.66 O ATOM 446 CB GLN A 30 6.095 1.396 8.473 1.00 16.66 C ATOM 447 CG GLN A 30 6.300 2.913 8.575 1.00 16.66 C ATOM 448 CD GLN A 30 7.224 3.239 9.740 1.00 16.66 C ATOM 449 OE1 GLN A 30 6.891 2.974 10.895 1.00 16.66 O ATOM 450 NE2 GLN A 30 8.377 3.802 9.500 1.00 16.66 N ATOM 451 H GLN A 30 7.232 0.636 5.871 1.00 0.00 H ATOM 452 HA GLN A 30 5.357 -0.047 7.090 1.00 0.00 H ATOM 453 HB2 GLN A 30 5.401 1.080 9.233 1.00 0.00 H ATOM 454 HB3 GLN A 30 7.043 0.900 8.622 1.00 0.00 H ATOM 455 HG2 GLN A 30 6.743 3.279 7.666 1.00 0.00 H ATOM 456 HG3 GLN A 30 5.350 3.397 8.731 1.00 0.00 H ATOM 457 HE21 GLN A 30 8.637 4.010 8.577 1.00 0.00 H ATOM 458 HE22 GLN A 30 8.980 4.018 10.239 1.00 0.00 H ATOM 459 N ASN A 31 3.701 1.677 5.629 1.00 16.66 N ATOM 460 CA ASN A 31 2.432 2.329 5.312 1.00 16.66 C ATOM 461 C ASN A 31 1.522 1.361 4.560 1.00 16.66 C ATOM 462 O ASN A 31 1.977 0.317 4.108 1.00 16.66 O ATOM 463 CB ASN A 31 2.700 3.576 4.478 1.00 16.66 C ATOM 464 CG ASN A 31 1.811 4.727 4.940 1.00 16.66 C ATOM 465 OD1 ASN A 31 1.185 5.398 4.119 1.00 50.00 O ATOM 466 ND2 ASN A 31 1.721 4.997 6.214 1.00 50.00 N ATOM 467 H ASN A 31 4.166 1.172 4.928 1.00 0.00 H ATOM 468 HA ASN A 31 1.944 2.617 6.232 1.00 0.00 H ATOM 469 HB2 ASN A 31 3.737 3.855 4.595 1.00 0.00 H ATOM 470 HB3 ASN A 31 2.501 3.361 3.444 1.00 0.00 H ATOM 471 HD21 ASN A 31 2.223 4.461 6.865 1.00 0.00 H ATOM 472 HD22 ASN A 31 1.154 5.734 6.521 1.00 0.00 H ATOM 473 N TRP A 32 0.236 1.695 4.447 1.00 16.66 N ATOM 474 CA TRP A 32 -0.716 0.808 3.765 1.00 16.66 C ATOM 475 C TRP A 32 -1.613 1.589 2.808 1.00 16.66 C ATOM 476 O TRP A 32 -2.197 2.601 3.185 1.00 16.66 O ATOM 477 CB TRP A 32 -1.572 0.108 4.829 1.00 16.66 C ATOM 478 CG TRP A 32 -0.995 0.490 6.104 1.00 16.66 C ATOM 479 CD1 TRP A 32 -1.400 1.476 6.903 1.00 16.66 C ATOM 480 CD2 TRP A 32 0.161 -0.069 6.674 1.00 16.66 C ATOM 481 NE1 TRP A 32 -0.524 1.562 7.967 1.00 16.66 N ATOM 482 CE2 TRP A 32 0.467 0.610 7.855 1.00 16.66 C ATOM 483 CE3 TRP A 32 0.962 -1.111 6.256 1.00 16.66 C ATOM 484 CZ2 TRP A 32 1.568 0.259 8.599 1.00 16.66 C ATOM 485 CZ3 TRP A 32 2.064 -1.476 6.988 1.00 16.66 C ATOM 486 CH2 TRP A 32 2.372 -0.789 8.157 1.00 16.66 C ATOM 487 H TRP A 32 -0.082 2.534 4.840 1.00 0.00 H ATOM 488 HA TRP A 32 -0.163 0.061 3.224 1.00 0.00 H ATOM 489 HB2 TRP A 32 -2.593 0.426 4.780 1.00 0.00 H ATOM 490 HB3 TRP A 32 -1.498 -0.967 4.721 1.00 0.00 H ATOM 491 HD1 TRP A 32 -2.254 2.087 6.734 1.00 0.00 H ATOM 492 HE1 TRP A 32 -0.580 2.203 8.705 1.00 0.00 H ATOM 493 HE3 TRP A 32 0.707 -1.643 5.360 1.00 0.00 H ATOM 494 HZ2 TRP A 32 1.806 0.791 9.495 1.00 0.00 H ATOM 495 HZ3 TRP A 32 2.684 -2.286 6.651 1.00 0.00 H ATOM 496 HH2 TRP A 32 3.219 -1.061 8.702 1.00 0.00 H ATOM 497 N TYR A 33 -1.737 1.108 1.572 1.00 16.66 N ATOM 498 CA TYR A 33 -2.592 1.774 0.583 1.00 16.66 C ATOM 499 C TYR A 33 -3.534 0.775 -0.089 1.00 16.66 C ATOM 500 O TYR A 33 -3.139 -0.362 -0.348 1.00 16.66 O ATOM 501 CB TYR A 33 -1.721 2.402 -0.513 1.00 16.66 C ATOM 502 CG TYR A 33 -0.318 2.584 -0.003 1.00 16.66 C ATOM 503 CD1 TYR A 33 0.045 3.743 0.693 1.00 16.66 C ATOM 504 CD2 TYR A 33 0.622 1.578 -0.226 1.00 16.66 C ATOM 505 CE1 TYR A 33 1.348 3.892 1.163 1.00 16.66 C ATOM 506 CE2 TYR A 33 1.923 1.723 0.246 1.00 16.66 C ATOM 507 CZ TYR A 33 2.288 2.887 0.945 1.00 50.00 C ATOM 508 OH TYR A 33 3.568 3.045 1.431 1.00 50.00 O ATOM 509 H TYR A 33 -1.252 0.293 1.323 1.00 0.00 H ATOM 510 HA TYR A 33 -3.172 2.543 1.064 1.00 0.00 H ATOM 511 HB2 TYR A 33 -1.701 1.743 -1.367 1.00 0.00 H ATOM 512 HB3 TYR A 33 -2.125 3.355 -0.810 1.00 0.00 H ATOM 513 HD1 TYR A 33 -0.677 4.523 0.864 1.00 0.00 H ATOM 514 HD2 TYR A 33 0.340 0.686 -0.765 1.00 0.00 H ATOM 515 HE1 TYR A 33 1.630 4.785 1.695 1.00 0.00 H ATOM 516 HE2 TYR A 33 2.642 0.941 0.064 1.00 0.00 H ATOM 517 HH TYR A 33 3.605 3.880 1.904 1.00 0.00 H ATOM 518 N HIS A 34 -4.764 1.197 -0.421 1.00 16.66 N ATOM 519 CA HIS A 34 -5.653 0.310 -1.126 1.00 16.66 C ATOM 520 C HIS A 34 -4.889 -0.205 -2.334 1.00 16.66 C ATOM 521 O HIS A 34 -4.095 0.531 -2.933 1.00 16.66 O ATOM 522 CB HIS A 34 -6.906 1.054 -1.604 1.00 16.66 C ATOM 523 CG HIS A 34 -7.185 2.235 -0.710 1.00 16.66 C ATOM 524 ND1 HIS A 34 -6.815 3.536 -1.043 1.00 16.66 N ATOM 525 CD2 HIS A 34 -7.863 2.335 0.476 1.00 16.66 C ATOM 526 CE1 HIS A 34 -7.296 4.344 -0.077 1.00 16.66 C ATOM 527 NE2 HIS A 34 -7.936 3.664 0.871 1.00 16.66 N ATOM 528 H HIS A 34 -5.058 2.103 -0.224 1.00 0.00 H ATOM 529 HA HIS A 34 -5.932 -0.511 -0.488 1.00 0.00 H ATOM 530 HB2 HIS A 34 -6.762 1.398 -2.618 1.00 0.00 H ATOM 531 HB3 HIS A 34 -7.743 0.383 -1.586 1.00 0.00 H ATOM 532 HD1 HIS A 34 -6.247 3.811 -1.805 1.00 0.00 H ATOM 533 HD2 HIS A 34 -8.257 1.509 1.030 1.00 0.00 H ATOM 534 HE1 HIS A 34 -7.197 5.416 -0.082 1.00 0.00 H ATOM 535 HE2 HIS A 34 -8.365 4.023 1.675 1.00 0.00 H ATOM 536 N GLY A 35 -5.094 -1.452 -2.681 1.00 16.66 N ATOM 537 CA GLY A 35 -4.371 -2.005 -3.805 1.00 16.66 C ATOM 538 C GLY A 35 -4.305 -1.023 -4.961 1.00 16.66 C ATOM 539 O GLY A 35 -3.222 -0.622 -5.384 1.00 16.66 O ATOM 540 H GLY A 35 -5.715 -2.011 -2.167 1.00 0.00 H ATOM 541 HA2 GLY A 35 -3.370 -2.234 -3.486 1.00 0.00 H ATOM 542 HA3 GLY A 35 -4.862 -2.899 -4.135 1.00 0.00 H ATOM 543 N ARG A 36 -5.459 -0.636 -5.470 1.00 16.66 N ATOM 544 CA ARG A 36 -5.500 0.301 -6.575 1.00 16.66 C ATOM 545 C ARG A 36 -5.052 1.671 -6.122 1.00 16.66 C ATOM 546 O ARG A 36 -4.695 2.517 -6.941 1.00 16.66 O ATOM 547 CB ARG A 36 -6.903 0.365 -7.186 1.00 16.66 C ATOM 548 CG ARG A 36 -7.929 0.742 -6.106 1.00 16.66 C ATOM 549 CD ARG A 36 -7.927 2.260 -5.872 1.00 50.00 C ATOM 550 NE ARG A 36 -9.272 2.720 -5.545 1.00 50.00 N ATOM 551 CZ ARG A 36 -9.616 3.996 -5.693 1.00 50.00 C ATOM 552 NH1 ARG A 36 -8.743 4.858 -6.137 1.00 50.00 N ATOM 553 NH2 ARG A 36 -10.824 4.386 -5.394 1.00 50.00 N ATOM 554 H ARG A 36 -6.295 -0.985 -5.096 1.00 0.00 H ATOM 555 HA ARG A 36 -4.801 -0.033 -7.323 1.00 0.00 H ATOM 556 HB2 ARG A 36 -6.918 1.099 -7.977 1.00 0.00 H ATOM 557 HB3 ARG A 36 -7.158 -0.602 -7.593 1.00 0.00 H ATOM 558 HG2 ARG A 36 -8.913 0.433 -6.428 1.00 0.00 H ATOM 559 HG3 ARG A 36 -7.681 0.238 -5.184 1.00 0.00 H ATOM 560 HD2 ARG A 36 -7.269 2.495 -5.052 1.00 0.00 H ATOM 561 HD3 ARG A 36 -7.582 2.767 -6.761 1.00 0.00 H ATOM 562 HE ARG A 36 -9.933 2.078 -5.210 1.00 0.00 H ATOM 563 HH11 ARG A 36 -7.817 4.559 -6.367 1.00 0.00 H ATOM 564 HH12 ARG A 36 -9.001 5.818 -6.249 1.00 0.00 H ATOM 565 HH21 ARG A 36 -11.493 3.724 -5.053 1.00 0.00 H ATOM 566 HH22 ARG A 36 -11.083 5.345 -5.506 1.00 0.00 H ATOM 567 N CYS A 37 -5.069 1.896 -4.818 1.00 16.66 N ATOM 568 CA CYS A 37 -4.655 3.184 -4.309 1.00 16.66 C ATOM 569 C CYS A 37 -3.313 3.544 -4.921 1.00 16.66 C ATOM 570 O CYS A 37 -3.001 4.718 -5.122 1.00 16.66 O ATOM 571 CB CYS A 37 -4.533 3.152 -2.785 1.00 16.66 C ATOM 572 SG CYS A 37 -4.869 4.816 -2.096 1.00 16.66 S ATOM 573 H CYS A 37 -5.362 1.194 -4.201 1.00 0.00 H ATOM 574 HA CYS A 37 -5.385 3.911 -4.590 1.00 0.00 H ATOM 575 HB2 CYS A 37 -5.237 2.461 -2.391 1.00 0.00 H ATOM 576 HB3 CYS A 37 -3.538 2.838 -2.510 1.00 0.00 H ATOM 577 N VAL A 38 -2.522 2.512 -5.212 1.00 16.66 N ATOM 578 CA VAL A 38 -1.203 2.719 -5.801 1.00 16.66 C ATOM 579 C VAL A 38 -1.106 2.103 -7.197 1.00 16.66 C ATOM 580 O VAL A 38 -0.047 2.135 -7.823 1.00 16.66 O ATOM 581 CB VAL A 38 -0.134 2.143 -4.873 1.00 16.66 C ATOM 582 CG1 VAL A 38 -0.389 2.667 -3.468 1.00 16.66 C ATOM 583 CG2 VAL A 38 -0.206 0.618 -4.844 1.00 16.66 C ATOM 584 H VAL A 38 -2.833 1.598 -5.017 1.00 0.00 H ATOM 585 HA VAL A 38 -1.031 3.782 -5.893 1.00 0.00 H ATOM 586 HB VAL A 38 0.845 2.459 -5.205 1.00 0.00 H ATOM 587 HG11 VAL A 38 -1.449 2.671 -3.277 1.00 0.00 H ATOM 588 HG12 VAL A 38 -0.008 3.669 -3.385 1.00 0.00 H ATOM 589 HG13 VAL A 38 0.103 2.030 -2.752 1.00 0.00 H ATOM 590 HG21 VAL A 38 -1.221 0.311 -4.646 1.00 0.00 H ATOM 591 HG22 VAL A 38 0.440 0.246 -4.060 1.00 0.00 H ATOM 592 HG23 VAL A 38 0.116 0.224 -5.793 1.00 0.00 H ATOM 593 N GLY A 39 -2.220 1.565 -7.693 1.00 16.66 N ATOM 594 CA GLY A 39 -2.238 0.975 -9.030 1.00 16.66 C ATOM 595 C GLY A 39 -1.713 -0.451 -9.013 1.00 16.66 C ATOM 596 O GLY A 39 -0.884 -0.824 -9.844 1.00 16.66 O ATOM 597 H GLY A 39 -3.038 1.574 -7.160 1.00 0.00 H ATOM 598 HA2 GLY A 39 -3.252 0.974 -9.401 1.00 0.00 H ATOM 599 HA3 GLY A 39 -1.622 1.569 -9.687 1.00 0.00 H ATOM 600 N ILE A 40 -2.180 -1.243 -8.053 1.00 16.66 N ATOM 601 CA ILE A 40 -1.727 -2.624 -7.931 1.00 16.66 C ATOM 602 C ILE A 40 -2.873 -3.612 -8.083 1.00 16.66 C ATOM 603 O ILE A 40 -4.046 -3.241 -8.047 1.00 16.66 O ATOM 604 CB ILE A 40 -1.059 -2.831 -6.570 1.00 16.66 C ATOM 605 CG1 ILE A 40 0.058 -3.849 -6.711 1.00 16.66 C ATOM 606 CG2 ILE A 40 -2.068 -3.342 -5.533 1.00 16.66 C ATOM 607 CD1 ILE A 40 0.690 -4.086 -5.345 1.00 16.66 C ATOM 608 H ILE A 40 -2.829 -0.889 -7.409 1.00 0.00 H ATOM 609 HA ILE A 40 -1.000 -2.822 -8.705 1.00 0.00 H ATOM 610 HB ILE A 40 -0.649 -1.901 -6.236 1.00 0.00 H ATOM 611 HG12 ILE A 40 -0.349 -4.770 -7.088 1.00 0.00 H ATOM 612 HG13 ILE A 40 0.803 -3.472 -7.393 1.00 0.00 H ATOM 613 HG21 ILE A 40 -3.043 -2.937 -5.741 1.00 0.00 H ATOM 614 HG22 ILE A 40 -1.752 -3.037 -4.549 1.00 0.00 H ATOM 615 HG23 ILE A 40 -2.111 -4.420 -5.574 1.00 0.00 H ATOM 616 HD11 ILE A 40 -0.028 -4.561 -4.693 1.00 0.00 H ATOM 617 HD12 ILE A 40 0.985 -3.142 -4.923 1.00 0.00 H ATOM 618 HD13 ILE A 40 1.553 -4.722 -5.455 1.00 0.00 H ATOM 619 N LEU A 41 -2.510 -4.876 -8.238 1.00 16.66 N ATOM 620 CA LEU A 41 -3.491 -5.932 -8.379 1.00 16.66 C ATOM 621 C LEU A 41 -4.248 -6.140 -7.073 1.00 16.66 C ATOM 622 O LEU A 41 -3.822 -5.694 -6.010 1.00 16.66 O ATOM 623 CB LEU A 41 -2.837 -7.236 -8.808 1.00 25.00 C ATOM 624 CG LEU A 41 -1.967 -7.007 -10.048 1.00 25.00 C ATOM 625 CD1 LEU A 41 -1.400 -8.347 -10.524 1.00 50.00 C ATOM 626 CD2 LEU A 41 -2.813 -6.386 -11.166 1.00 50.00 C ATOM 627 H LEU A 41 -1.557 -5.104 -8.247 1.00 0.00 H ATOM 628 HA LEU A 41 -4.194 -5.636 -9.133 1.00 0.00 H ATOM 629 HB2 LEU A 41 -2.233 -7.609 -8.004 1.00 0.00 H ATOM 630 HB3 LEU A 41 -3.605 -7.953 -9.040 1.00 0.00 H ATOM 631 HG LEU A 41 -1.153 -6.344 -9.797 1.00 0.00 H ATOM 632 HD11 LEU A 41 -0.887 -8.833 -9.706 1.00 0.00 H ATOM 633 HD12 LEU A 41 -0.707 -8.177 -11.334 1.00 0.00 H ATOM 634 HD13 LEU A 41 -2.208 -8.978 -10.866 1.00 0.00 H ATOM 635 HD21 LEU A 41 -3.803 -6.819 -11.154 1.00 0.00 H ATOM 636 HD22 LEU A 41 -2.348 -6.580 -12.121 1.00 0.00 H ATOM 637 HD23 LEU A 41 -2.883 -5.319 -11.012 1.00 0.00 H ATOM 638 N GLN A 42 -5.363 -6.838 -7.167 1.00 16.66 N ATOM 639 CA GLN A 42 -6.180 -7.133 -6.005 1.00 16.66 C ATOM 640 C GLN A 42 -5.552 -8.286 -5.316 1.00 16.66 C ATOM 641 O GLN A 42 -5.385 -8.322 -4.099 1.00 16.66 O ATOM 642 CB GLN A 42 -7.590 -7.501 -6.441 1.00 16.66 C ATOM 643 CG GLN A 42 -8.198 -6.304 -7.148 1.00 16.66 C ATOM 644 CD GLN A 42 -9.488 -6.710 -7.846 1.00 25.00 C ATOM 645 OE1 GLN A 42 -10.580 -6.437 -7.351 1.00 25.00 O ATOM 646 NE2 GLN A 42 -9.419 -7.357 -8.978 1.00 25.00 N ATOM 647 H GLN A 42 -5.609 -7.215 -8.025 1.00 0.00 H ATOM 648 HA GLN A 42 -6.208 -6.281 -5.347 1.00 0.00 H ATOM 649 HB2 GLN A 42 -7.553 -8.345 -7.115 1.00 0.00 H ATOM 650 HB3 GLN A 42 -8.185 -7.751 -5.577 1.00 0.00 H ATOM 651 HG2 GLN A 42 -8.405 -5.536 -6.419 1.00 0.00 H ATOM 652 HG3 GLN A 42 -7.495 -5.933 -7.876 1.00 0.00 H ATOM 653 HE21 GLN A 42 -8.544 -7.573 -9.366 1.00 0.00 H ATOM 654 HE22 GLN A 42 -10.238 -7.627 -9.439 1.00 0.00 H ATOM 655 N SER A 43 -5.180 -9.222 -6.150 1.00 16.66 N ATOM 656 CA SER A 43 -4.531 -10.396 -5.692 1.00 16.66 C ATOM 657 C SER A 43 -3.214 -9.979 -5.058 1.00 16.66 C ATOM 658 O SER A 43 -2.859 -10.461 -3.987 1.00 16.66 O ATOM 659 CB SER A 43 -4.338 -11.338 -6.883 1.00 50.00 C ATOM 660 OG SER A 43 -2.997 -11.791 -6.937 1.00 50.00 O ATOM 661 H SER A 43 -5.336 -9.102 -7.109 1.00 0.00 H ATOM 662 HA SER A 43 -5.152 -10.868 -4.948 1.00 0.00 H ATOM 663 HB2 SER A 43 -4.997 -12.183 -6.785 1.00 0.00 H ATOM 664 HB3 SER A 43 -4.584 -10.805 -7.795 1.00 0.00 H ATOM 665 HG SER A 43 -2.794 -12.011 -7.850 1.00 0.00 H ATOM 666 N GLU A 44 -2.518 -9.026 -5.688 1.00 16.66 N ATOM 667 CA GLU A 44 -1.262 -8.525 -5.129 1.00 16.66 C ATOM 668 C GLU A 44 -1.442 -8.313 -3.638 1.00 16.66 C ATOM 669 O GLU A 44 -0.482 -8.192 -2.893 1.00 16.66 O ATOM 670 CB GLU A 44 -0.820 -7.231 -5.817 1.00 16.66 C ATOM 671 CG GLU A 44 0.034 -7.577 -7.051 1.00 16.66 C ATOM 672 CD GLU A 44 1.504 -7.711 -6.660 1.00 25.00 C ATOM 673 OE1 GLU A 44 1.952 -6.928 -5.841 1.00 50.00 O ATOM 674 OE2 GLU A 44 2.158 -8.596 -7.187 1.00 50.00 O ATOM 675 H GLU A 44 -2.868 -8.639 -6.517 1.00 0.00 H ATOM 676 HA GLU A 44 -0.494 -9.267 -5.273 1.00 0.00 H ATOM 677 HB2 GLU A 44 -1.689 -6.663 -6.118 1.00 0.00 H ATOM 678 HB3 GLU A 44 -0.231 -6.646 -5.130 1.00 0.00 H ATOM 679 HG2 GLU A 44 -0.304 -8.515 -7.470 1.00 0.00 H ATOM 680 HG3 GLU A 44 -0.068 -6.802 -7.793 1.00 0.00 H ATOM 681 N ALA A 45 -2.694 -8.278 -3.217 1.00 16.66 N ATOM 682 CA ALA A 45 -3.014 -8.115 -1.815 1.00 16.66 C ATOM 683 C ALA A 45 -2.846 -9.449 -1.066 1.00 16.66 C ATOM 684 O ALA A 45 -2.309 -9.483 0.042 1.00 16.66 O ATOM 685 CB ALA A 45 -4.459 -7.632 -1.689 1.00 25.00 C ATOM 686 H ALA A 45 -3.420 -8.384 -3.865 1.00 0.00 H ATOM 687 HA ALA A 45 -2.356 -7.378 -1.382 1.00 0.00 H ATOM 688 HB1 ALA A 45 -4.663 -6.917 -2.472 1.00 0.00 H ATOM 689 HB2 ALA A 45 -4.603 -7.163 -0.729 1.00 0.00 H ATOM 690 HB3 ALA A 45 -5.132 -8.470 -1.786 1.00 0.00 H ATOM 691 N GLU A 46 -3.346 -10.537 -1.666 1.00 16.66 N ATOM 692 CA GLU A 46 -3.288 -11.865 -1.034 1.00 16.66 C ATOM 693 C GLU A 46 -2.005 -12.655 -1.325 1.00 16.66 C ATOM 694 O GLU A 46 -1.366 -13.166 -0.405 1.00 16.66 O ATOM 695 CB GLU A 46 -4.496 -12.691 -1.481 1.00 25.00 C ATOM 696 CG GLU A 46 -5.779 -12.007 -1.010 1.00 25.00 C ATOM 697 CD GLU A 46 -6.991 -12.850 -1.392 1.00 25.00 C ATOM 698 OE1 GLU A 46 -6.814 -13.805 -2.130 1.00 50.00 O ATOM 699 OE2 GLU A 46 -8.077 -12.527 -0.942 1.00 50.00 O ATOM 700 H GLU A 46 -3.788 -10.442 -2.536 1.00 0.00 H ATOM 701 HA GLU A 46 -3.355 -11.734 0.020 1.00 0.00 H ATOM 702 HB2 GLU A 46 -4.502 -12.769 -2.558 1.00 0.00 H ATOM 703 HB3 GLU A 46 -4.438 -13.678 -1.048 1.00 0.00 H ATOM 704 HG2 GLU A 46 -5.749 -11.889 0.064 1.00 0.00 H ATOM 705 HG3 GLU A 46 -5.859 -11.035 -1.474 1.00 0.00 H ATOM 706 N LEU A 47 -1.659 -12.786 -2.596 1.00 16.66 N ATOM 707 CA LEU A 47 -0.476 -13.555 -2.995 1.00 16.66 C ATOM 708 C LEU A 47 0.773 -12.784 -2.742 1.00 16.66 C ATOM 709 O LEU A 47 1.816 -13.021 -3.351 1.00 16.66 O ATOM 710 CB LEU A 47 -0.555 -14.007 -4.464 1.00 16.66 C ATOM 711 CG LEU A 47 -1.480 -13.091 -5.277 1.00 16.66 C ATOM 712 CD1 LEU A 47 -2.921 -13.165 -4.744 1.00 16.66 C ATOM 713 CD2 LEU A 47 -0.948 -11.644 -5.248 1.00 16.66 C ATOM 714 H LEU A 47 -2.217 -12.379 -3.283 1.00 0.00 H ATOM 715 HA LEU A 47 -0.420 -14.408 -2.373 1.00 0.00 H ATOM 716 HB2 LEU A 47 0.433 -13.988 -4.901 1.00 0.00 H ATOM 717 HB3 LEU A 47 -0.938 -15.017 -4.503 1.00 0.00 H ATOM 718 HG LEU A 47 -1.486 -13.436 -6.287 1.00 0.00 H ATOM 719 HD11 LEU A 47 -3.221 -12.210 -4.358 1.00 0.00 H ATOM 720 HD12 LEU A 47 -2.985 -13.901 -3.961 1.00 0.00 H ATOM 721 HD13 LEU A 47 -3.583 -13.445 -5.547 1.00 0.00 H ATOM 722 HD21 LEU A 47 -1.420 -11.066 -6.031 1.00 0.00 H ATOM 723 HD22 LEU A 47 0.117 -11.642 -5.414 1.00 0.00 H ATOM 724 HD23 LEU A 47 -1.158 -11.192 -4.293 1.00 0.00 H ATOM 725 N ILE A 48 0.642 -11.824 -1.876 1.00 16.66 N ATOM 726 CA ILE A 48 1.731 -10.960 -1.569 1.00 16.66 C ATOM 727 C ILE A 48 2.278 -11.172 -0.162 1.00 16.66 C ATOM 728 O ILE A 48 1.541 -11.449 0.783 1.00 16.66 O ATOM 729 CB ILE A 48 1.186 -9.571 -1.769 1.00 25.00 C ATOM 730 CG1 ILE A 48 2.202 -8.709 -2.470 1.00 25.00 C ATOM 731 CG2 ILE A 48 0.807 -8.937 -0.428 1.00 25.00 C ATOM 732 CD1 ILE A 48 2.688 -9.343 -3.775 1.00 25.00 C ATOM 733 H ILE A 48 -0.231 -11.663 -1.458 1.00 0.00 H ATOM 734 HA ILE A 48 2.526 -11.132 -2.268 1.00 0.00 H ATOM 735 HB ILE A 48 0.304 -9.643 -2.380 1.00 0.00 H ATOM 736 HG12 ILE A 48 1.738 -7.775 -2.694 1.00 0.00 H ATOM 737 HG13 ILE A 48 3.031 -8.576 -1.813 1.00 0.00 H ATOM 738 HG21 ILE A 48 0.230 -8.042 -0.606 1.00 0.00 H ATOM 739 HG22 ILE A 48 1.703 -8.687 0.119 1.00 0.00 H ATOM 740 HG23 ILE A 48 0.216 -9.637 0.145 1.00 0.00 H ATOM 741 HD11 ILE A 48 1.963 -10.057 -4.128 1.00 0.00 H ATOM 742 HD12 ILE A 48 3.634 -9.835 -3.603 1.00 0.00 H ATOM 743 HD13 ILE A 48 2.821 -8.568 -4.514 1.00 0.00 H ATOM 744 N ASP A 49 3.595 -11.043 -0.061 1.00 25.00 N ATOM 745 CA ASP A 49 4.296 -11.219 1.199 1.00 25.00 C ATOM 746 C ASP A 49 5.716 -10.674 1.071 1.00 25.00 C ATOM 747 O ASP A 49 6.640 -11.143 1.734 1.00 25.00 O ATOM 748 CB ASP A 49 4.342 -12.704 1.549 1.00 25.00 C ATOM 749 CG ASP A 49 4.945 -12.899 2.935 1.00 25.00 C ATOM 750 OD1 ASP A 49 5.195 -11.905 3.596 1.00 50.00 O ATOM 751 OD2 ASP A 49 5.147 -14.041 3.316 1.00 50.00 O ATOM 752 H ASP A 49 4.113 -10.828 -0.864 1.00 0.00 H ATOM 753 HA ASP A 49 3.774 -10.684 1.979 1.00 0.00 H ATOM 754 HB2 ASP A 49 3.339 -13.103 1.531 1.00 0.00 H ATOM 755 HB3 ASP A 49 4.946 -13.222 0.818 1.00 0.00 H ATOM 756 N GLU A 50 5.869 -9.678 0.203 1.00 16.66 N ATOM 757 CA GLU A 50 7.155 -9.055 -0.036 1.00 16.66 C ATOM 758 C GLU A 50 6.932 -7.762 -0.802 1.00 16.66 C ATOM 759 O GLU A 50 7.875 -7.148 -1.303 1.00 16.66 O ATOM 760 CB GLU A 50 8.059 -9.996 -0.841 1.00 50.00 C ATOM 761 CG GLU A 50 7.518 -10.143 -2.266 1.00 50.00 C ATOM 762 CD GLU A 50 8.316 -11.204 -3.018 1.00 50.00 C ATOM 763 OE1 GLU A 50 9.316 -11.654 -2.483 1.00 50.00 O ATOM 764 OE2 GLU A 50 7.916 -11.547 -4.118 1.00 50.00 O ATOM 765 H GLU A 50 5.096 -9.348 -0.293 1.00 0.00 H ATOM 766 HA GLU A 50 7.625 -8.832 0.910 1.00 0.00 H ATOM 767 HB2 GLU A 50 9.059 -9.589 -0.875 1.00 0.00 H ATOM 768 HB3 GLU A 50 8.082 -10.965 -0.366 1.00 0.00 H ATOM 769 HG2 GLU A 50 6.480 -10.435 -2.227 1.00 0.00 H ATOM 770 HG3 GLU A 50 7.607 -9.200 -2.783 1.00 0.00 H ATOM 771 N TYR A 51 5.666 -7.351 -0.881 1.00 16.66 N ATOM 772 CA TYR A 51 5.319 -6.127 -1.579 1.00 16.66 C ATOM 773 C TYR A 51 5.878 -4.944 -0.839 1.00 16.66 C ATOM 774 O TYR A 51 5.947 -4.933 0.388 1.00 16.66 O ATOM 775 CB TYR A 51 3.803 -5.952 -1.687 1.00 16.66 C ATOM 776 CG TYR A 51 3.481 -4.474 -1.788 1.00 16.66 C ATOM 777 CD1 TYR A 51 3.441 -3.686 -0.628 1.00 16.66 C ATOM 778 CD2 TYR A 51 3.235 -3.892 -3.036 1.00 16.66 C ATOM 779 CE1 TYR A 51 3.151 -2.319 -0.719 1.00 16.66 C ATOM 780 CE2 TYR A 51 2.943 -2.524 -3.124 1.00 16.66 C ATOM 781 CZ TYR A 51 2.900 -1.740 -1.969 1.00 16.66 C ATOM 782 OH TYR A 51 2.594 -0.399 -2.063 1.00 16.66 O ATOM 783 H TYR A 51 4.958 -7.880 -0.456 1.00 0.00 H ATOM 784 HA TYR A 51 5.734 -6.148 -2.572 1.00 0.00 H ATOM 785 HB2 TYR A 51 3.449 -6.455 -2.574 1.00 0.00 H ATOM 786 HB3 TYR A 51 3.324 -6.369 -0.814 1.00 0.00 H ATOM 787 HD1 TYR A 51 3.635 -4.132 0.336 1.00 0.00 H ATOM 788 HD2 TYR A 51 3.268 -4.496 -3.930 1.00 0.00 H ATOM 789 HE1 TYR A 51 3.120 -1.709 0.177 1.00 0.00 H ATOM 790 HE2 TYR A 51 2.759 -2.070 -4.085 1.00 0.00 H ATOM 791 HH TYR A 51 1.776 -0.316 -2.557 1.00 0.00 H ATOM 792 N VAL A 52 6.245 -3.940 -1.599 1.00 16.66 N ATOM 793 CA VAL A 52 6.771 -2.724 -1.019 1.00 16.66 C ATOM 794 C VAL A 52 5.976 -1.537 -1.500 1.00 16.66 C ATOM 795 O VAL A 52 5.328 -1.589 -2.544 1.00 16.66 O ATOM 796 CB VAL A 52 8.238 -2.543 -1.351 1.00 50.00 C ATOM 797 CG1 VAL A 52 8.757 -1.346 -0.538 1.00 50.00 C ATOM 798 CG2 VAL A 52 8.989 -3.840 -0.986 1.00 50.00 C ATOM 799 H VAL A 52 6.137 -4.012 -2.573 1.00 0.00 H ATOM 800 HA VAL A 52 6.670 -2.783 0.056 1.00 0.00 H ATOM 801 HB VAL A 52 8.347 -2.338 -2.407 1.00 0.00 H ATOM 802 HG11 VAL A 52 8.524 -1.487 0.510 1.00 0.00 H ATOM 803 HG12 VAL A 52 8.272 -0.446 -0.887 1.00 0.00 H ATOM 804 HG13 VAL A 52 9.822 -1.248 -0.662 1.00 0.00 H ATOM 805 HG21 VAL A 52 8.370 -4.450 -0.342 1.00 0.00 H ATOM 806 HG22 VAL A 52 9.908 -3.603 -0.476 1.00 0.00 H ATOM 807 HG23 VAL A 52 9.211 -4.394 -1.888 1.00 0.00 H ATOM 808 N CYS A 53 6.020 -0.472 -0.727 1.00 16.66 N ATOM 809 CA CYS A 53 5.308 0.703 -1.048 1.00 16.66 C ATOM 810 C CYS A 53 6.037 1.473 -2.097 1.00 16.66 C ATOM 811 O CYS A 53 7.243 1.320 -2.286 1.00 16.66 O ATOM 812 CB CYS A 53 5.106 1.553 0.192 1.00 16.66 C ATOM 813 SG CYS A 53 6.685 1.785 1.156 1.00 16.66 S ATOM 814 H CYS A 53 6.544 -0.477 0.063 1.00 0.00 H ATOM 815 HA CYS A 53 4.346 0.421 -1.427 1.00 0.00 H ATOM 816 HB2 CYS A 53 4.746 2.523 -0.110 1.00 0.00 H ATOM 817 HB3 CYS A 53 4.367 1.079 0.815 1.00 0.00 H ATOM 818 N PRO A 54 5.327 2.279 -2.788 1.00 16.66 N ATOM 819 CA PRO A 54 5.901 3.090 -3.867 1.00 16.66 C ATOM 820 C PRO A 54 6.657 4.292 -3.322 1.00 16.66 C ATOM 821 O PRO A 54 7.649 4.733 -3.903 1.00 16.66 O ATOM 822 CB PRO A 54 4.660 3.470 -4.630 1.00 16.66 C ATOM 823 CG PRO A 54 3.627 3.664 -3.592 1.00 16.66 C ATOM 824 CD PRO A 54 3.874 2.529 -2.623 1.00 16.66 C ATOM 825 HA PRO A 54 6.542 2.491 -4.491 1.00 0.00 H ATOM 826 HB2 PRO A 54 4.823 4.364 -5.176 1.00 0.00 H ATOM 827 HB3 PRO A 54 4.374 2.651 -5.266 1.00 0.00 H ATOM 828 HG2 PRO A 54 3.756 4.623 -3.105 1.00 0.00 H ATOM 829 HG3 PRO A 54 2.638 3.581 -4.015 1.00 0.00 H ATOM 830 HD2 PRO A 54 3.634 2.835 -1.616 1.00 0.00 H ATOM 831 HD3 PRO A 54 3.309 1.657 -2.908 1.00 0.00 H ATOM 832 N GLN A 55 6.209 4.782 -2.174 1.00 16.66 N ATOM 833 CA GLN A 55 6.881 5.894 -1.526 1.00 16.66 C ATOM 834 C GLN A 55 8.190 5.382 -0.955 1.00 16.66 C ATOM 835 O GLN A 55 9.177 6.110 -0.845 1.00 16.66 O ATOM 836 CB GLN A 55 6.009 6.469 -0.406 1.00 16.66 C ATOM 837 CG GLN A 55 4.745 7.084 -1.008 1.00 16.66 C ATOM 838 CD GLN A 55 3.834 7.597 0.101 1.00 50.00 C ATOM 839 OE1 GLN A 55 4.029 7.263 1.270 1.00 50.00 O ATOM 840 NE2 GLN A 55 2.844 8.394 -0.196 1.00 50.00 N ATOM 841 H GLN A 55 5.440 4.358 -1.739 1.00 0.00 H ATOM 842 HA GLN A 55 7.084 6.666 -2.255 1.00 0.00 H ATOM 843 HB2 GLN A 55 5.736 5.679 0.278 1.00 0.00 H ATOM 844 HB3 GLN A 55 6.560 7.231 0.124 1.00 0.00 H ATOM 845 HG2 GLN A 55 5.019 7.905 -1.656 1.00 0.00 H ATOM 846 HG3 GLN A 55 4.221 6.334 -1.582 1.00 0.00 H ATOM 847 HE21 GLN A 55 2.691 8.659 -1.127 1.00 0.00 H ATOM 848 HE22 GLN A 55 2.254 8.728 0.512 1.00 0.00 H ATOM 849 N CYS A 56 8.169 4.102 -0.601 1.00 16.66 N ATOM 850 CA CYS A 56 9.331 3.433 -0.041 1.00 16.66 C ATOM 851 C CYS A 56 10.477 3.410 -1.046 1.00 16.66 C ATOM 852 O CYS A 56 11.626 3.682 -0.702 1.00 16.66 O ATOM 853 CB CYS A 56 8.968 1.990 0.289 1.00 16.66 C ATOM 854 SG CYS A 56 7.362 1.914 1.187 1.00 16.66 S ATOM 855 H CYS A 56 7.343 3.591 -0.725 1.00 0.00 H ATOM 856 HA CYS A 56 9.645 3.938 0.858 1.00 0.00 H ATOM 857 HB2 CYS A 56 8.888 1.435 -0.630 1.00 0.00 H ATOM 858 HB3 CYS A 56 9.745 1.559 0.897 1.00 0.00 H ATOM 859 N GLN A 57 10.148 3.065 -2.287 1.00 16.66 N ATOM 860 CA GLN A 57 11.153 2.983 -3.336 1.00 16.66 C ATOM 861 C GLN A 57 11.955 4.274 -3.410 1.00 16.66 C ATOM 862 O GLN A 57 13.164 4.250 -3.643 1.00 16.66 O ATOM 863 CB GLN A 57 10.482 2.704 -4.681 1.00 25.00 C ATOM 864 CG GLN A 57 9.893 1.292 -4.680 1.00 25.00 C ATOM 865 CD GLN A 57 9.202 1.015 -6.011 1.00 50.00 C ATOM 866 OE1 GLN A 57 8.792 1.946 -6.704 1.00 50.00 O ATOM 867 NE2 GLN A 57 9.052 -0.217 -6.414 1.00 50.00 N ATOM 868 H GLN A 57 9.216 2.848 -2.497 1.00 0.00 H ATOM 869 HA GLN A 57 11.825 2.171 -3.112 1.00 0.00 H ATOM 870 HB2 GLN A 57 9.691 3.421 -4.841 1.00 0.00 H ATOM 871 HB3 GLN A 57 11.211 2.786 -5.471 1.00 0.00 H ATOM 872 HG2 GLN A 57 10.686 0.574 -4.531 1.00 0.00 H ATOM 873 HG3 GLN A 57 9.175 1.203 -3.880 1.00 0.00 H ATOM 874 HE21 GLN A 57 9.383 -0.956 -5.862 1.00 0.00 H ATOM 875 HE22 GLN A 57 8.610 -0.403 -7.268 1.00 0.00 H ATOM 876 N SER A 58 11.287 5.398 -3.190 1.00 25.00 N ATOM 877 CA SER A 58 11.972 6.681 -3.215 1.00 25.00 C ATOM 878 C SER A 58 13.057 6.700 -2.144 1.00 25.00 C ATOM 879 O SER A 58 14.135 7.260 -2.344 1.00 25.00 O ATOM 880 CB SER A 58 10.976 7.813 -2.959 1.00 50.00 C ATOM 881 OG SER A 58 9.906 7.716 -3.889 1.00 50.00 O ATOM 882 H SER A 58 10.328 5.362 -2.993 1.00 0.00 H ATOM 883 HA SER A 58 12.426 6.822 -4.184 1.00 0.00 H ATOM 884 HB2 SER A 58 10.585 7.733 -1.959 1.00 0.00 H ATOM 885 HB3 SER A 58 11.479 8.765 -3.072 1.00 0.00 H ATOM 886 HG SER A 58 9.231 8.349 -3.632 1.00 0.00 H ATOM 887 N THR A 59 12.757 6.079 -1.006 1.00 50.00 N ATOM 888 CA THR A 59 13.705 6.019 0.102 1.00 50.00 C ATOM 889 C THR A 59 14.697 4.870 -0.077 1.00 50.00 C ATOM 890 O THR A 59 15.862 4.987 0.302 1.00 50.00 O ATOM 891 CB THR A 59 12.948 5.840 1.420 1.00 50.00 C ATOM 892 OG1 THR A 59 12.234 4.613 1.389 1.00 50.00 O ATOM 893 CG2 THR A 59 11.970 7.000 1.611 1.00 50.00 C ATOM 894 H THR A 59 11.880 5.651 -0.909 1.00 0.00 H ATOM 895 HA THR A 59 14.253 6.949 0.143 1.00 0.00 H ATOM 896 HB THR A 59 13.651 5.829 2.240 1.00 0.00 H ATOM 897 HG1 THR A 59 12.691 4.019 0.790 1.00 0.00 H ATOM 898 HG21 THR A 59 11.287 6.766 2.414 1.00 0.00 H ATOM 899 HG22 THR A 59 11.413 7.155 0.698 1.00 0.00 H ATOM 900 HG23 THR A 59 12.519 7.897 1.854 1.00 0.00 H ATOM 901 N GLU A 60 14.232 3.758 -0.650 1.00 50.00 N ATOM 902 CA GLU A 60 15.101 2.599 -0.859 1.00 50.00 C ATOM 903 C GLU A 60 16.507 3.032 -1.266 1.00 50.00 C ATOM 904 O GLU A 60 17.460 2.862 -0.508 1.00 50.00 O ATOM 905 CB GLU A 60 14.513 1.683 -1.940 1.00 50.00 C ATOM 906 CG GLU A 60 13.309 0.919 -1.379 1.00 50.00 C ATOM 907 CD GLU A 60 13.755 -0.025 -0.267 1.00 50.00 C ATOM 908 OE1 GLU A 60 14.943 -0.287 -0.180 1.00 50.00 O ATOM 909 OE2 GLU A 60 12.902 -0.471 0.483 1.00 50.00 O ATOM 910 H GLU A 60 13.292 3.713 -0.928 1.00 0.00 H ATOM 911 HA GLU A 60 15.166 2.046 0.065 1.00 0.00 H ATOM 912 HB2 GLU A 60 14.198 2.280 -2.784 1.00 0.00 H ATOM 913 HB3 GLU A 60 15.265 0.977 -2.261 1.00 0.00 H ATOM 914 HG2 GLU A 60 12.590 1.621 -0.986 1.00 0.00 H ATOM 915 HG3 GLU A 60 12.851 0.343 -2.170 1.00 0.00 H ATOM 916 N ASP A 61 16.630 3.590 -2.466 1.00 50.00 N ATOM 917 CA ASP A 61 17.929 4.040 -2.957 1.00 50.00 C ATOM 918 C ASP A 61 17.766 5.184 -3.952 1.00 50.00 C ATOM 919 O ASP A 61 16.655 5.493 -4.382 1.00 50.00 O ATOM 920 CB ASP A 61 18.666 2.876 -3.626 1.00 50.00 C ATOM 921 CG ASP A 61 17.895 2.401 -4.854 1.00 50.00 C ATOM 922 OD1 ASP A 61 16.997 3.109 -5.279 1.00 50.00 O ATOM 923 OD2 ASP A 61 18.216 1.334 -5.353 1.00 50.00 O ATOM 924 H ASP A 61 15.837 3.701 -3.031 1.00 0.00 H ATOM 925 HA ASP A 61 18.517 4.387 -2.120 1.00 0.00 H ATOM 926 HB2 ASP A 61 19.651 3.203 -3.926 1.00 0.00 H ATOM 927 HB3 ASP A 61 18.758 2.061 -2.924 1.00 0.00 H ATOM 928 N ALA A 62 18.884 5.812 -4.311 1.00 50.00 N ATOM 929 CA ALA A 62 18.861 6.925 -5.256 1.00 50.00 C ATOM 930 C ALA A 62 19.488 6.512 -6.585 1.00 50.00 C ATOM 931 O ALA A 62 20.557 5.925 -6.556 1.00 0.00 O ATOM 932 CB ALA A 62 19.632 8.113 -4.677 1.00 50.00 C ATOM 933 OXT ALA A 62 18.890 6.791 -7.611 1.00 0.00 O ATOM 934 H ALA A 62 19.739 5.520 -3.933 1.00 0.00 H ATOM 935 HA ALA A 62 17.839 7.225 -5.429 1.00 0.00 H ATOM 936 HB1 ALA A 62 19.535 8.962 -5.337 1.00 0.00 H ATOM 937 HB2 ALA A 62 20.675 7.852 -4.577 1.00 0.00 H ATOM 938 HB3 ALA A 62 19.229 8.364 -3.705 1.00 0.00 H