REMARK 1 CREATED WITH OPENMM 8.3, 2025-06-23 ATOM 1 N ALA A 1 -1.242 -1.427 0.393 1.00 0.00 N ATOM 2 H ALA A 1 -2.205 -1.477 0.753 1.00 0.00 H ATOM 3 H2 ALA A 1 -0.581 -0.977 1.088 1.00 0.00 H ATOM 4 H3 ALA A 1 -0.794 -2.376 0.341 1.00 0.00 H ATOM 5 CA ALA A 1 -1.092 -0.807 -0.948 1.00 0.00 C ATOM 6 HA ALA A 1 -0.055 -0.877 -1.215 1.00 0.00 H ATOM 7 CB ALA A 1 -1.858 -1.702 -1.952 1.00 0.00 C ATOM 8 HB1 ALA A 1 -2.948 -1.722 -1.737 1.00 0.00 H ATOM 9 HB2 ALA A 1 -1.469 -2.743 -1.929 1.00 0.00 H ATOM 10 HB3 ALA A 1 -1.721 -1.320 -2.988 1.00 0.00 H ATOM 11 C ALA A 1 -1.563 0.649 -1.072 1.00 0.00 C ATOM 12 O ALA A 1 -2.721 0.878 -1.399 1.00 0.00 O ATOM 13 N ALA A 2 -0.771 1.724 -0.826 1.00 0.00 N ATOM 14 H ALA A 2 -1.205 2.590 -1.056 1.00 0.00 H ATOM 15 CA ALA A 2 0.544 1.868 -0.213 1.00 0.00 C ATOM 16 HA ALA A 2 0.400 1.678 0.843 1.00 0.00 H ATOM 17 CB ALA A 2 1.026 3.325 -0.366 1.00 0.00 C ATOM 18 HB1 ALA A 2 0.266 4.026 0.040 1.00 0.00 H ATOM 19 HB2 ALA A 2 1.188 3.569 -1.439 1.00 0.00 H ATOM 20 HB3 ALA A 2 1.978 3.495 0.181 1.00 0.00 H ATOM 21 C ALA A 2 1.639 0.911 -0.661 1.00 0.00 C ATOM 22 O ALA A 2 1.696 0.477 -1.808 1.00 0.00 O ATOM 23 N ALA A 3 2.472 0.500 0.311 1.00 0.00 N ATOM 24 H ALA A 3 2.505 0.958 1.189 1.00 0.00 H ATOM 25 CA ALA A 3 2.827 -0.896 0.424 1.00 0.00 C ATOM 26 HA ALA A 3 3.043 -1.313 -0.552 1.00 0.00 H ATOM 27 CB ALA A 3 4.029 -1.076 1.368 1.00 0.00 C ATOM 28 HB1 ALA A 3 4.279 -2.155 1.465 1.00 0.00 H ATOM 29 HB2 ALA A 3 4.914 -0.539 0.968 1.00 0.00 H ATOM 30 HB3 ALA A 3 3.792 -0.678 2.378 1.00 0.00 H ATOM 31 C ALA A 3 1.577 -1.609 1.006 1.00 0.00 C ATOM 32 O ALA A 3 0.897 -1.007 1.889 1.00 0.00 O ATOM 33 OXT ALA A 3 1.161 -2.669 0.465 1.00 0.00 O TER 34 ALA A 3 ATOM 35 N CYS B 1 -2.703 -0.955 20.737 1.00 0.00 N ATOM 36 H CYS B 1 -2.063 -0.228 21.156 1.00 0.00 H ATOM 37 H2 CYS B 1 -3.355 -1.276 21.477 1.00 0.00 H ATOM 38 H3 CYS B 1 -3.214 -0.519 19.947 1.00 0.00 H ATOM 39 CA CYS B 1 -1.861 -2.105 20.277 1.00 0.00 C ATOM 40 HA CYS B 1 -2.564 -2.845 19.918 1.00 0.00 H ATOM 41 CB CYS B 1 -1.124 -2.788 21.465 1.00 0.00 C ATOM 42 HB3 CYS B 1 -0.494 -3.611 21.048 1.00 0.00 H ATOM 43 HB2 CYS B 1 -0.416 -2.090 21.955 1.00 0.00 H ATOM 44 SG CYS B 1 -2.264 -3.506 22.699 1.00 0.00 S ATOM 45 HG CYS B 1 -1.328 -4.188 23.353 1.00 0.00 H ATOM 46 C CYS B 1 -0.977 -1.872 19.061 1.00 0.00 C ATOM 47 O CYS B 1 -1.102 -2.640 18.117 1.00 0.00 O ATOM 48 N CYS B 2 -0.118 -0.838 18.916 1.00 0.00 N ATOM 49 H CYS B 2 0.486 -0.986 18.132 1.00 0.00 H ATOM 50 CA CYS B 2 0.253 0.360 19.676 1.00 0.00 C ATOM 51 HA CYS B 2 1.306 0.458 19.484 1.00 0.00 H ATOM 52 CB CYS B 2 -0.335 1.655 19.034 1.00 0.00 C ATOM 53 HB3 CYS B 2 0.242 1.836 18.099 1.00 0.00 H ATOM 54 HB2 CYS B 2 -0.139 2.535 19.686 1.00 0.00 H ATOM 55 SG CYS B 2 -2.110 1.544 18.603 1.00 0.00 S ATOM 56 HG CYS B 2 -1.906 0.955 17.429 1.00 0.00 H ATOM 57 C CYS B 2 0.147 0.428 21.204 1.00 0.00 C ATOM 58 O CYS B 2 -0.919 0.743 21.734 1.00 0.00 O ATOM 59 N CYS B 3 1.188 0.152 22.015 1.00 0.00 N ATOM 60 H CYS B 3 1.031 0.316 22.980 1.00 0.00 H ATOM 61 CA CYS B 3 2.480 -0.463 21.716 1.00 0.00 C ATOM 62 HA CYS B 3 2.714 -1.053 22.590 1.00 0.00 H ATOM 63 CB CYS B 3 3.657 0.554 21.598 1.00 0.00 C ATOM 64 HB3 CYS B 3 3.733 1.090 22.568 1.00 0.00 H ATOM 65 HB2 CYS B 3 4.596 -0.029 21.471 1.00 0.00 H ATOM 66 SG CYS B 3 3.507 1.769 20.247 1.00 0.00 S ATOM 67 HG CYS B 3 3.544 0.800 19.330 1.00 0.00 H ATOM 68 C CYS B 3 2.459 -1.515 20.579 1.00 0.00 C ATOM 69 O CYS B 3 3.029 -1.253 19.489 1.00 0.00 O ATOM 70 OXT CYS B 3 1.793 -2.562 20.789 1.00 0.00 O TER 71 CYS B 3 ATOM 72 N ASP C 1 5.491 9.923 41.402 1.00 0.00 N ATOM 73 H ASP C 1 4.728 10.034 42.088 1.00 0.00 H ATOM 74 H2 ASP C 1 6.176 9.190 41.726 1.00 0.00 H ATOM 75 H3 ASP C 1 5.971 10.870 41.322 1.00 0.00 H ATOM 76 CA ASP C 1 4.993 9.441 40.084 1.00 0.00 C ATOM 77 HA ASP C 1 4.204 8.738 40.318 1.00 0.00 H ATOM 78 CB ASP C 1 6.082 8.632 39.321 1.00 0.00 C ATOM 79 HB3 ASP C 1 7.001 9.226 39.152 1.00 0.00 H ATOM 80 HB2 ASP C 1 5.698 8.293 38.334 1.00 0.00 H ATOM 81 CG ASP C 1 6.458 7.407 40.123 1.00 0.00 C ATOM 82 OD1 ASP C 1 6.594 6.300 39.554 1.00 0.00 O ATOM 83 OD2 ASP C 1 6.706 7.554 41.351 1.00 0.00 O ATOM 84 C ASP C 1 4.279 10.487 39.238 1.00 0.00 C ATOM 85 O ASP C 1 3.067 10.388 39.088 1.00 0.00 O ATOM 86 N ASP C 2 4.910 11.525 38.660 1.00 0.00 N ATOM 87 H ASP C 2 4.328 12.100 38.090 1.00 0.00 H ATOM 88 CA ASP C 2 6.290 11.974 38.707 1.00 0.00 C ATOM 89 HA ASP C 2 6.921 11.304 39.268 1.00 0.00 H ATOM 90 CB ASP C 2 6.287 13.401 39.310 1.00 0.00 C ATOM 91 HB3 ASP C 2 5.429 13.977 38.906 1.00 0.00 H ATOM 92 HB2 ASP C 2 7.209 13.945 39.054 1.00 0.00 H ATOM 93 CG ASP C 2 6.222 13.433 40.821 1.00 0.00 C ATOM 94 OD1 ASP C 2 6.171 14.575 41.347 1.00 0.00 O ATOM 95 OD2 ASP C 2 6.294 12.355 41.462 1.00 0.00 O ATOM 96 C ASP C 2 6.825 12.022 37.268 1.00 0.00 C ATOM 97 O ASP C 2 6.118 11.648 36.336 1.00 0.00 O ATOM 98 N ASP C 3 8.061 12.479 36.980 1.00 0.00 N ATOM 99 H ASP C 3 8.275 12.544 36.014 1.00 0.00 H ATOM 100 CA ASP C 3 9.184 12.750 37.856 1.00 0.00 C ATOM 101 HA ASP C 3 8.880 12.736 38.894 1.00 0.00 H ATOM 102 CB ASP C 3 9.906 14.098 37.519 1.00 0.00 C ATOM 103 HB3 ASP C 3 10.891 14.131 38.029 1.00 0.00 H ATOM 104 HB2 ASP C 3 10.062 14.173 36.424 1.00 0.00 H ATOM 105 CG ASP C 3 9.137 15.325 37.971 1.00 0.00 C ATOM 106 OD1 ASP C 3 9.624 16.034 38.891 1.00 0.00 O ATOM 107 OD2 ASP C 3 8.016 15.593 37.467 1.00 0.00 O ATOM 108 C ASP C 3 10.213 11.609 37.688 1.00 0.00 C ATOM 109 O ASP C 3 10.684 11.047 38.709 1.00 0.00 O ATOM 110 OXT ASP C 3 10.649 11.307 36.547 1.00 0.00 O TER 111 ASP C 3 ATOM 112 N GLU D 1 -0.052 23.573 8.702 1.00 0.00 N ATOM 113 H GLU D 1 -0.480 23.035 9.503 1.00 0.00 H ATOM 114 H2 GLU D 1 0.622 24.224 9.184 1.00 0.00 H ATOM 115 H3 GLU D 1 0.527 22.951 8.070 1.00 0.00 H ATOM 116 CA GLU D 1 -1.156 24.289 8.013 1.00 0.00 C ATOM 117 HA GLU D 1 -1.937 23.549 7.914 1.00 0.00 H ATOM 118 CB GLU D 1 -1.750 25.414 8.914 1.00 0.00 C ATOM 119 HB3 GLU D 1 -0.941 26.020 9.376 1.00 0.00 H ATOM 120 HB2 GLU D 1 -2.354 26.095 8.271 1.00 0.00 H ATOM 121 CG GLU D 1 -2.719 24.911 10.020 1.00 0.00 C ATOM 122 HG3 GLU D 1 -3.499 24.247 9.598 1.00 0.00 H ATOM 123 HG2 GLU D 1 -3.221 25.788 10.484 1.00 0.00 H ATOM 124 CD GLU D 1 -1.999 24.153 11.125 1.00 0.00 C ATOM 125 OE1 GLU D 1 -1.864 24.715 12.241 1.00 0.00 O ATOM 126 OE2 GLU D 1 -1.523 23.023 10.846 1.00 0.00 O ATOM 127 C GLU D 1 -0.884 24.683 6.568 1.00 0.00 C ATOM 128 O GLU D 1 -1.373 24.003 5.672 1.00 0.00 O ATOM 129 N GLU D 2 -0.110 25.735 6.226 1.00 0.00 N ATOM 130 H GLU D 2 0.246 25.675 5.295 1.00 0.00 H ATOM 131 CA GLU D 2 0.210 26.972 6.922 1.00 0.00 C ATOM 132 HA GLU D 2 -0.667 27.302 7.456 1.00 0.00 H ATOM 133 CB GLU D 2 0.528 28.093 5.894 1.00 0.00 C ATOM 134 HB3 GLU D 2 1.288 27.707 5.179 1.00 0.00 H ATOM 135 HB2 GLU D 2 0.965 28.975 6.417 1.00 0.00 H ATOM 136 CG GLU D 2 -0.731 28.580 5.125 1.00 0.00 C ATOM 137 HG3 GLU D 2 -1.449 29.044 5.832 1.00 0.00 H ATOM 138 HG2 GLU D 2 -1.230 27.717 4.637 1.00 0.00 H ATOM 139 CD GLU D 2 -0.411 29.589 4.038 1.00 0.00 C ATOM 140 OE1 GLU D 2 0.225 29.216 3.015 1.00 0.00 O ATOM 141 OE2 GLU D 2 -0.844 30.774 4.131 1.00 0.00 O ATOM 142 C GLU D 2 1.317 26.881 7.963 1.00 0.00 C ATOM 143 O GLU D 2 1.410 27.755 8.820 1.00 0.00 O ATOM 144 N GLU D 3 2.139 25.814 7.927 1.00 0.00 N ATOM 145 H GLU D 3 2.085 25.177 7.148 1.00 0.00 H ATOM 146 CA GLU D 3 3.133 25.466 8.938 1.00 0.00 C ATOM 147 HA GLU D 3 3.889 26.236 8.937 1.00 0.00 H ATOM 148 CB GLU D 3 3.768 24.050 8.691 1.00 0.00 C ATOM 149 HB3 GLU D 3 3.196 23.266 9.240 1.00 0.00 H ATOM 150 HB2 GLU D 3 4.784 24.068 9.143 1.00 0.00 H ATOM 151 CG GLU D 3 3.875 23.558 7.222 1.00 0.00 C ATOM 152 HG3 GLU D 3 4.355 24.330 6.588 1.00 0.00 H ATOM 153 HG2 GLU D 3 4.484 22.632 7.178 1.00 0.00 H ATOM 154 CD GLU D 3 2.508 23.212 6.643 1.00 0.00 C ATOM 155 OE1 GLU D 3 1.785 22.357 7.219 1.00 0.00 O ATOM 156 OE2 GLU D 3 2.112 23.921 5.686 1.00 0.00 O ATOM 157 C GLU D 3 2.497 25.402 10.356 1.00 0.00 C ATOM 158 O GLU D 3 2.962 26.077 11.309 1.00 0.00 O ATOM 159 OXT GLU D 3 1.513 24.633 10.516 1.00 0.00 O TER 160 GLU D 3 ATOM 161 N PHE E 1 0.604 25.320 12.866 1.00 0.00 N ATOM 162 H PHE E 1 0.767 26.342 12.891 1.00 0.00 H ATOM 163 H2 PHE E 1 1.181 24.962 12.052 1.00 0.00 H ATOM 164 H3 PHE E 1 -0.409 25.121 12.619 1.00 0.00 H ATOM 165 CA PHE E 1 0.967 24.683 14.155 1.00 0.00 C ATOM 166 HA PHE E 1 0.257 23.880 14.307 1.00 0.00 H ATOM 167 CB PHE E 1 2.433 24.139 14.096 1.00 0.00 C ATOM 168 HB3 PHE E 1 3.009 24.566 13.248 1.00 0.00 H ATOM 169 HB2 PHE E 1 2.996 24.384 15.023 1.00 0.00 H ATOM 170 CG PHE E 1 2.433 22.641 13.934 1.00 0.00 C ATOM 171 CD1 PHE E 1 1.798 22.038 12.835 1.00 0.00 C ATOM 172 HD1 PHE E 1 1.302 22.645 12.089 1.00 0.00 H ATOM 173 CE1 PHE E 1 1.801 20.647 12.683 1.00 0.00 C ATOM 174 HE1 PHE E 1 1.307 20.207 11.828 1.00 0.00 H ATOM 175 CZ PHE E 1 2.441 19.841 13.633 1.00 0.00 C ATOM 176 HZ PHE E 1 2.448 18.768 13.511 1.00 0.00 H ATOM 177 CD2 PHE E 1 3.087 21.822 14.872 1.00 0.00 C ATOM 178 HD2 PHE E 1 3.594 22.276 15.712 1.00 0.00 H ATOM 179 CE2 PHE E 1 3.084 20.430 14.729 1.00 0.00 C ATOM 180 HE2 PHE E 1 3.585 19.814 15.461 1.00 0.00 H ATOM 181 C PHE E 1 0.753 25.679 15.291 1.00 0.00 C ATOM 182 O PHE E 1 0.590 26.872 15.050 1.00 0.00 O ATOM 183 N PHE E 2 0.706 25.289 16.580 1.00 0.00 N ATOM 184 H PHE E 2 0.524 26.020 17.231 1.00 0.00 H ATOM 185 CA PHE E 2 0.979 23.983 17.159 1.00 0.00 C ATOM 186 HA PHE E 2 1.452 23.354 16.423 1.00 0.00 H ATOM 187 CB PHE E 2 -0.303 23.268 17.669 1.00 0.00 C ATOM 188 HB3 PHE E 2 -0.061 22.384 18.299 1.00 0.00 H ATOM 189 HB2 PHE E 2 -0.944 23.958 18.257 1.00 0.00 H ATOM 190 CG PHE E 2 -1.062 22.770 16.474 1.00 0.00 C ATOM 191 CD1 PHE E 2 -2.152 23.487 15.956 1.00 0.00 C ATOM 192 HD1 PHE E 2 -2.477 24.395 16.440 1.00 0.00 H ATOM 193 CE1 PHE E 2 -2.775 23.070 14.774 1.00 0.00 C ATOM 194 HE1 PHE E 2 -3.569 23.659 14.338 1.00 0.00 H ATOM 195 CZ PHE E 2 -2.323 21.923 14.110 1.00 0.00 C ATOM 196 HZ PHE E 2 -2.771 21.636 13.168 1.00 0.00 H ATOM 197 CD2 PHE E 2 -0.636 21.602 15.818 1.00 0.00 C ATOM 198 HD2 PHE E 2 0.210 21.051 16.199 1.00 0.00 H ATOM 199 CE2 PHE E 2 -1.259 21.182 14.637 1.00 0.00 C ATOM 200 HE2 PHE E 2 -0.896 20.311 14.111 1.00 0.00 H ATOM 201 C PHE E 2 2.018 24.098 18.257 1.00 0.00 C ATOM 202 O PHE E 2 3.210 23.917 18.015 1.00 0.00 O ATOM 203 N PHE E 3 1.570 24.392 19.485 1.00 0.00 N ATOM 204 H PHE E 3 0.617 24.594 19.715 1.00 0.00 H ATOM 205 CA PHE E 3 2.365 24.469 20.681 1.00 0.00 C ATOM 206 HA PHE E 3 3.195 25.137 20.503 1.00 0.00 H ATOM 207 CB PHE E 3 2.899 23.076 21.146 1.00 0.00 C ATOM 208 HB3 PHE E 3 3.764 22.809 20.503 1.00 0.00 H ATOM 209 HB2 PHE E 3 3.249 23.135 22.197 1.00 0.00 H ATOM 210 CG PHE E 3 1.863 21.978 21.039 1.00 0.00 C ATOM 211 CD1 PHE E 3 0.776 21.925 21.927 1.00 0.00 C ATOM 212 HD1 PHE E 3 0.674 22.695 22.679 1.00 0.00 H ATOM 213 CE1 PHE E 3 -0.184 20.911 21.824 1.00 0.00 C ATOM 214 HE1 PHE E 3 -1.023 20.898 22.503 1.00 0.00 H ATOM 215 CZ PHE E 3 -0.059 19.927 20.834 1.00 0.00 C ATOM 216 HZ PHE E 3 -0.803 19.149 20.749 1.00 0.00 H ATOM 217 CD2 PHE E 3 1.982 20.977 20.057 1.00 0.00 C ATOM 218 HD2 PHE E 3 2.812 21.012 19.367 1.00 0.00 H ATOM 219 CE2 PHE E 3 1.026 19.959 19.950 1.00 0.00 C ATOM 220 HE2 PHE E 3 1.123 19.205 19.183 1.00 0.00 H ATOM 221 C PHE E 3 1.485 25.154 21.761 1.00 0.00 C ATOM 222 O PHE E 3 2.009 25.430 22.873 1.00 0.00 O ATOM 223 OXT PHE E 3 0.283 25.418 21.471 1.00 0.00 O TER 224 PHE E 3 ATOM 225 N GLY F 1 6.970 16.518 39.722 1.00 0.00 N ATOM 226 H GLY F 1 7.888 16.755 40.140 1.00 0.00 H ATOM 227 H2 GLY F 1 6.502 15.791 40.337 1.00 0.00 H ATOM 228 H3 GLY F 1 7.252 16.041 38.815 1.00 0.00 H ATOM 229 CA GLY F 1 6.105 17.689 39.412 1.00 0.00 C ATOM 230 HA3 GLY F 1 5.768 18.100 40.352 1.00 0.00 H ATOM 231 HA2 GLY F 1 6.706 18.370 38.831 1.00 0.00 H ATOM 232 C GLY F 1 4.875 17.317 38.621 1.00 0.00 C ATOM 233 O GLY F 1 4.223 16.324 38.915 1.00 0.00 O ATOM 234 N GLY F 2 4.454 18.058 37.575 1.00 0.00 N ATOM 235 H GLY F 2 3.640 17.681 37.141 1.00 0.00 H ATOM 236 CA GLY F 2 4.988 19.300 37.012 1.00 0.00 C ATOM 237 HA3 GLY F 2 4.463 19.467 36.083 1.00 0.00 H ATOM 238 HA2 GLY F 2 6.051 19.180 36.863 1.00 0.00 H ATOM 239 C GLY F 2 4.781 20.530 37.866 1.00 0.00 C ATOM 240 O GLY F 2 4.867 20.481 39.089 1.00 0.00 O ATOM 241 N GLY F 3 4.531 21.683 37.220 1.00 0.00 N ATOM 242 H GLY F 3 4.454 21.758 36.226 1.00 0.00 H ATOM 243 CA GLY F 3 4.250 22.945 37.878 1.00 0.00 C ATOM 244 HA3 GLY F 3 5.166 23.334 38.298 1.00 0.00 H ATOM 245 HA2 GLY F 3 3.464 22.799 38.603 1.00 0.00 H ATOM 246 C GLY F 3 3.739 23.947 36.840 1.00 0.00 C ATOM 247 O GLY F 3 3.340 25.081 37.217 1.00 0.00 O ATOM 248 OXT GLY F 3 3.710 23.621 35.621 1.00 0.00 O TER 249 GLY F 3 ATOM 250 N HIS G 1 -0.593 31.233 1.561 1.00 0.00 N ATOM 251 H HIS G 1 -0.700 31.270 2.618 1.00 0.00 H ATOM 252 H2 HIS G 1 -0.237 30.251 1.487 1.00 0.00 H ATOM 253 H3 HIS G 1 -1.560 31.322 1.176 1.00 0.00 H ATOM 254 CA HIS G 1 0.392 32.254 1.123 1.00 0.00 C ATOM 255 HA HIS G 1 0.475 32.158 0.050 1.00 0.00 H ATOM 256 CB HIS G 1 1.801 31.983 1.764 1.00 0.00 C ATOM 257 HB3 HIS G 1 1.945 30.897 1.953 1.00 0.00 H ATOM 258 HB2 HIS G 1 2.568 32.276 1.013 1.00 0.00 H ATOM 259 ND1 HIS G 1 2.625 34.028 3.026 1.00 0.00 N ATOM 260 HD1 HIS G 1 2.756 34.627 2.221 1.00 0.00 H ATOM 261 CG HIS G 1 2.140 32.737 3.024 1.00 0.00 C ATOM 262 CE1 HIS G 1 2.805 34.383 4.318 1.00 0.00 C ATOM 263 HE1 HIS G 1 3.116 35.383 4.624 1.00 0.00 H ATOM 264 NE2 HIS G 1 2.502 33.402 5.142 1.00 0.00 N ATOM 265 CD2 HIS G 1 2.095 32.356 4.332 1.00 0.00 C ATOM 266 HD2 HIS G 1 1.783 31.414 4.769 1.00 0.00 H ATOM 267 C HIS G 1 -0.191 33.627 1.390 1.00 0.00 C ATOM 268 O HIS G 1 -0.525 34.332 0.444 1.00 0.00 O ATOM 269 N HIS G 2 -0.421 33.984 2.674 1.00 0.00 N ATOM 270 H HIS G 2 -0.046 33.439 3.424 1.00 0.00 H ATOM 271 CA HIS G 2 -1.211 35.130 3.098 1.00 0.00 C ATOM 272 HA HIS G 2 -1.316 35.019 4.166 1.00 0.00 H ATOM 273 CB HIS G 2 -2.646 35.101 2.488 1.00 0.00 C ATOM 274 HB3 HIS G 2 -2.647 35.527 1.462 1.00 0.00 H ATOM 275 HB2 HIS G 2 -3.343 35.700 3.112 1.00 0.00 H ATOM 276 ND1 HIS G 2 -3.201 32.739 3.340 1.00 0.00 N ATOM 277 HD1 HIS G 2 -2.945 32.867 4.300 1.00 0.00 H ATOM 278 CG HIS G 2 -3.145 33.683 2.333 1.00 0.00 C ATOM 279 CE1 HIS G 2 -3.445 31.542 2.754 1.00 0.00 C ATOM 280 HE1 HIS G 2 -3.485 30.606 3.318 1.00 0.00 H ATOM 281 NE2 HIS G 2 -3.534 31.651 1.439 1.00 0.00 N ATOM 282 CD2 HIS G 2 -3.382 33.003 1.178 1.00 0.00 C ATOM 283 HD2 HIS G 2 -3.388 33.369 0.157 1.00 0.00 H ATOM 284 C HIS G 2 -0.460 36.444 2.907 1.00 0.00 C ATOM 285 O HIS G 2 0.590 36.649 3.514 1.00 0.00 O ATOM 286 N HIS G 3 -0.975 37.360 2.076 1.00 0.00 N ATOM 287 H HIS G 3 -1.881 37.312 1.659 1.00 0.00 H ATOM 288 CA HIS G 3 -0.351 38.614 1.745 1.00 0.00 C ATOM 289 HA HIS G 3 0.161 39.014 2.608 1.00 0.00 H ATOM 290 CB HIS G 3 0.583 38.489 0.515 1.00 0.00 C ATOM 291 HB3 HIS G 3 -0.024 38.147 -0.351 1.00 0.00 H ATOM 292 HB2 HIS G 3 0.998 39.490 0.266 1.00 0.00 H ATOM 293 ND1 HIS G 3 2.788 37.749 1.538 1.00 0.00 N ATOM 294 HD1 HIS G 3 2.864 38.525 2.164 1.00 0.00 H ATOM 295 CG HIS G 3 1.707 37.510 0.720 1.00 0.00 C ATOM 296 CE1 HIS G 3 3.601 36.671 1.451 1.00 0.00 C ATOM 297 HE1 HIS G 3 4.532 36.580 2.011 1.00 0.00 H ATOM 298 NE2 HIS G 3 3.121 35.754 0.632 1.00 0.00 N ATOM 299 CD2 HIS G 3 1.930 36.290 0.160 1.00 0.00 C ATOM 300 HD2 HIS G 3 1.324 35.751 -0.557 1.00 0.00 H ATOM 301 C HIS G 3 -1.485 39.591 1.374 1.00 0.00 C ATOM 302 O HIS G 3 -1.186 40.803 1.215 1.00 0.00 O ATOM 303 OXT HIS G 3 -2.649 39.123 1.228 1.00 0.00 O TER 304 HIS G 3 ATOM 305 N ILE H 1 -1.123 36.890 19.292 1.00 0.00 N ATOM 306 H ILE H 1 -0.665 37.016 18.370 1.00 0.00 H ATOM 307 H2 ILE H 1 -1.576 35.954 19.332 1.00 0.00 H ATOM 308 H3 ILE H 1 -1.861 37.615 19.445 1.00 0.00 H ATOM 309 CA ILE H 1 -0.138 36.988 20.424 1.00 0.00 C ATOM 310 HA ILE H 1 0.542 37.800 20.201 1.00 0.00 H ATOM 311 CB ILE H 1 0.644 35.679 20.551 1.00 0.00 C ATOM 312 HB ILE H 1 1.342 35.758 21.420 1.00 0.00 H ATOM 313 CG2 ILE H 1 -0.302 34.479 20.801 1.00 0.00 C ATOM 314 HG21 ILE H 1 0.299 33.566 21.013 1.00 0.00 H ATOM 315 HG22 ILE H 1 -0.931 34.244 19.918 1.00 0.00 H ATOM 316 HG23 ILE H 1 -0.960 34.638 21.682 1.00 0.00 H ATOM 317 CG1 ILE H 1 1.549 35.457 19.313 1.00 0.00 C ATOM 318 HG13 ILE H 1 2.088 36.403 19.075 1.00 0.00 H ATOM 319 HG12 ILE H 1 0.936 35.180 18.426 1.00 0.00 H ATOM 320 CD1 ILE H 1 2.606 34.368 19.534 1.00 0.00 C ATOM 321 HD11 ILE H 1 2.136 33.375 19.700 1.00 0.00 H ATOM 322 HD12 ILE H 1 3.267 34.280 18.643 1.00 0.00 H ATOM 323 HD13 ILE H 1 3.246 34.601 20.412 1.00 0.00 H ATOM 324 C ILE H 1 -0.879 37.397 21.684 1.00 0.00 C ATOM 325 O ILE H 1 -1.982 37.914 21.547 1.00 0.00 O ATOM 326 N ILE H 2 -0.317 37.211 22.901 1.00 0.00 N ATOM 327 H ILE H 2 0.583 36.804 23.022 1.00 0.00 H ATOM 328 CA ILE H 2 -0.984 37.567 24.152 1.00 0.00 C ATOM 329 HA ILE H 2 -1.926 38.043 23.912 1.00 0.00 H ATOM 330 CB ILE H 2 -0.229 38.607 24.988 1.00 0.00 C ATOM 331 HB ILE H 2 0.809 38.257 25.182 1.00 0.00 H ATOM 332 CG2 ILE H 2 -0.114 39.910 24.161 1.00 0.00 C ATOM 333 HG21 ILE H 2 0.374 40.702 24.768 1.00 0.00 H ATOM 334 HG22 ILE H 2 -1.118 40.274 23.856 1.00 0.00 H ATOM 335 HG23 ILE H 2 0.497 39.753 23.249 1.00 0.00 H ATOM 336 CG1 ILE H 2 -0.877 38.890 26.373 1.00 0.00 C ATOM 337 HG13 ILE H 2 -0.809 37.976 27.005 1.00 0.00 H ATOM 338 HG12 ILE H 2 -0.261 39.668 26.878 1.00 0.00 H ATOM 339 CD1 ILE H 2 -2.337 39.364 26.328 1.00 0.00 C ATOM 340 HD11 ILE H 2 -2.436 40.297 25.733 1.00 0.00 H ATOM 341 HD12 ILE H 2 -2.994 38.589 25.879 1.00 0.00 H ATOM 342 HD13 ILE H 2 -2.707 39.570 27.355 1.00 0.00 H ATOM 343 C ILE H 2 -1.416 36.308 24.907 1.00 0.00 C ATOM 344 O ILE H 2 -2.599 35.990 24.921 1.00 0.00 O ATOM 345 N ILE H 3 -0.547 35.511 25.560 1.00 0.00 N ATOM 346 H ILE H 3 -0.957 34.773 26.084 1.00 0.00 H ATOM 347 CA ILE H 3 0.903 35.545 25.624 1.00 0.00 C ATOM 348 HA ILE H 3 1.290 36.251 24.910 1.00 0.00 H ATOM 349 CB ILE H 3 1.540 34.184 25.326 1.00 0.00 C ATOM 350 HB ILE H 3 1.224 33.461 26.114 1.00 0.00 H ATOM 351 CG2 ILE H 3 3.081 34.326 25.367 1.00 0.00 C ATOM 352 HG21 ILE H 3 3.426 34.685 26.359 1.00 0.00 H ATOM 353 HG22 ILE H 3 3.572 33.349 25.180 1.00 0.00 H ATOM 354 HG23 ILE H 3 3.425 35.046 24.596 1.00 0.00 H ATOM 355 CG1 ILE H 3 1.067 33.626 23.959 1.00 0.00 C ATOM 356 HG13 ILE H 3 1.426 34.308 23.162 1.00 0.00 H ATOM 357 HG12 ILE H 3 -0.045 33.609 23.924 1.00 0.00 H ATOM 358 CD1 ILE H 3 1.558 32.204 23.661 1.00 0.00 C ATOM 359 HD11 ILE H 3 2.663 32.169 23.557 1.00 0.00 H ATOM 360 HD12 ILE H 3 1.263 31.508 24.476 1.00 0.00 H ATOM 361 HD13 ILE H 3 1.116 31.826 22.714 1.00 0.00 H ATOM 362 C ILE H 3 1.321 36.015 27.031 1.00 0.00 C ATOM 363 O ILE H 3 1.993 37.074 27.138 1.00 0.00 O ATOM 364 OXT ILE H 3 0.999 35.341 28.048 1.00 0.00 O TER 365 ILE H 3 ATOM 366 N LYS I 1 1.658 32.719 31.804 1.00 0.00 N ATOM 367 H LYS I 1 2.427 32.375 31.202 1.00 0.00 H ATOM 368 H2 LYS I 1 0.753 32.639 31.303 1.00 0.00 H ATOM 369 H3 LYS I 1 1.835 33.756 31.977 1.00 0.00 H ATOM 370 CA LYS I 1 1.627 32.019 33.130 1.00 0.00 C ATOM 371 HA LYS I 1 2.575 32.223 33.608 1.00 0.00 H ATOM 372 CB LYS I 1 1.468 30.475 32.949 1.00 0.00 C ATOM 373 HB3 LYS I 1 2.072 30.153 32.069 1.00 0.00 H ATOM 374 HB2 LYS I 1 0.411 30.205 32.732 1.00 0.00 H ATOM 375 CG LYS I 1 1.996 29.653 34.147 1.00 0.00 C ATOM 376 HG3 LYS I 1 1.412 29.917 35.058 1.00 0.00 H ATOM 377 HG2 LYS I 1 3.059 29.927 34.336 1.00 0.00 H ATOM 378 CD LYS I 1 1.916 28.124 33.928 1.00 0.00 C ATOM 379 HD3 LYS I 1 2.473 27.871 32.997 1.00 0.00 H ATOM 380 HD2 LYS I 1 0.849 27.844 33.773 1.00 0.00 H ATOM 381 CE LYS I 1 2.496 27.306 35.101 1.00 0.00 C ATOM 382 HE3 LYS I 1 1.938 27.526 36.039 1.00 0.00 H ATOM 383 HE2 LYS I 1 3.566 27.565 35.260 1.00 0.00 H ATOM 384 NZ LYS I 1 2.417 25.853 34.861 1.00 0.00 N ATOM 385 HZ1 LYS I 1 3.013 25.516 34.084 1.00 0.00 H ATOM 386 HZ2 LYS I 1 1.456 25.491 34.761 1.00 0.00 H ATOM 387 HZ3 LYS I 1 2.831 25.359 35.718 1.00 0.00 H ATOM 388 C LYS I 1 0.527 32.614 34.001 1.00 0.00 C ATOM 389 O LYS I 1 -0.639 32.258 33.892 1.00 0.00 O ATOM 390 N LYS I 2 0.902 33.603 34.828 1.00 0.00 N ATOM 391 H LYS I 2 1.866 33.901 34.784 1.00 0.00 H ATOM 392 CA LYS I 2 0.026 34.587 35.428 1.00 0.00 C ATOM 393 HA LYS I 2 -0.493 35.095 34.625 1.00 0.00 H ATOM 394 CB LYS I 2 -1.036 34.007 36.411 1.00 0.00 C ATOM 395 HB3 LYS I 2 -1.566 34.844 36.912 1.00 0.00 H ATOM 396 HB2 LYS I 2 -1.812 33.475 35.812 1.00 0.00 H ATOM 397 CG LYS I 2 -0.486 33.003 37.444 1.00 0.00 C ATOM 398 HG3 LYS I 2 0.589 33.193 37.653 1.00 0.00 H ATOM 399 HG2 LYS I 2 -0.534 31.991 36.973 1.00 0.00 H ATOM 400 CD LYS I 2 -1.280 32.978 38.765 1.00 0.00 C ATOM 401 HD3 LYS I 2 -2.313 33.354 38.597 1.00 0.00 H ATOM 402 HD2 LYS I 2 -1.382 31.910 39.075 1.00 0.00 H ATOM 403 CE LYS I 2 -0.598 33.707 39.936 1.00 0.00 C ATOM 404 HE3 LYS I 2 0.402 33.258 40.128 1.00 0.00 H ATOM 405 HE2 LYS I 2 -1.212 33.622 40.859 1.00 0.00 H ATOM 406 NZ LYS I 2 -0.405 35.144 39.644 1.00 0.00 N ATOM 407 HZ1 LYS I 2 0.143 35.253 38.749 1.00 0.00 H ATOM 408 HZ2 LYS I 2 -1.318 35.618 39.515 1.00 0.00 H ATOM 409 HZ3 LYS I 2 0.127 35.607 40.405 1.00 0.00 H ATOM 410 C LYS I 2 0.878 35.645 36.132 1.00 0.00 C ATOM 411 O LYS I 2 0.857 35.758 37.359 1.00 0.00 O ATOM 412 N LYS I 3 1.689 36.466 35.438 1.00 0.00 N ATOM 413 H LYS I 3 2.298 37.038 35.976 1.00 0.00 H ATOM 414 CA LYS I 3 1.777 36.717 34.009 1.00 0.00 C ATOM 415 HA LYS I 3 0.774 36.932 33.670 1.00 0.00 H ATOM 416 CB LYS I 3 2.659 37.980 33.790 1.00 0.00 C ATOM 417 HB3 LYS I 3 2.164 38.836 34.301 1.00 0.00 H ATOM 418 HB2 LYS I 3 3.638 37.807 34.293 1.00 0.00 H ATOM 419 CG LYS I 3 2.937 38.372 32.326 1.00 0.00 C ATOM 420 HG3 LYS I 3 3.558 39.296 32.303 1.00 0.00 H ATOM 421 HG2 LYS I 3 3.570 37.564 31.896 1.00 0.00 H ATOM 422 CD LYS I 3 1.664 38.597 31.483 1.00 0.00 C ATOM 423 HD3 LYS I 3 1.327 39.650 31.613 1.00 0.00 H ATOM 424 HD2 LYS I 3 0.840 37.952 31.858 1.00 0.00 H ATOM 425 CE LYS I 3 1.814 38.291 29.986 1.00 0.00 C ATOM 426 HE3 LYS I 3 2.561 38.954 29.500 1.00 0.00 H ATOM 427 HE2 LYS I 3 0.834 38.414 29.469 1.00 0.00 H ATOM 428 NZ LYS I 3 2.244 36.897 29.812 1.00 0.00 N ATOM 429 HZ1 LYS I 3 1.803 36.509 28.921 1.00 0.00 H ATOM 430 HZ2 LYS I 3 1.950 36.296 30.625 1.00 0.00 H ATOM 431 HZ3 LYS I 3 3.265 36.834 29.680 1.00 0.00 H ATOM 432 C LYS I 3 2.290 35.533 33.144 1.00 0.00 C ATOM 433 O LYS I 3 1.800 35.377 31.992 1.00 0.00 O ATOM 434 OXT LYS I 3 3.087 34.690 33.627 1.00 0.00 O TER 435 LYS I 3 ATOM 436 N LEU J 1 16.345 0.157 -0.850 1.00 0.00 N ATOM 437 H LEU J 1 16.558 -0.435 -1.696 1.00 0.00 H ATOM 438 H2 LEU J 1 16.439 -0.115 0.171 1.00 0.00 H ATOM 439 H3 LEU J 1 15.559 -0.496 -0.777 1.00 0.00 H ATOM 440 CA LEU J 1 17.860 0.077 -0.787 1.00 0.00 C ATOM 441 HA LEU J 1 18.282 1.006 -1.155 1.00 0.00 H ATOM 442 CB LEU J 1 18.309 -1.115 -1.671 1.00 0.00 C ATOM 443 HB3 LEU J 1 17.960 -2.095 -1.281 1.00 0.00 H ATOM 444 HB2 LEU J 1 19.425 -1.146 -1.625 1.00 0.00 H ATOM 445 CG LEU J 1 17.952 -0.991 -3.174 1.00 0.00 C ATOM 446 HG LEU J 1 18.024 0.085 -3.471 1.00 0.00 H ATOM 447 CD1 LEU J 1 16.558 -1.528 -3.542 1.00 0.00 C ATOM 448 HD11 LEU J 1 15.728 -0.907 -3.156 1.00 0.00 H ATOM 449 HD12 LEU J 1 16.457 -1.541 -4.651 1.00 0.00 H ATOM 450 HD13 LEU J 1 16.439 -2.576 -3.191 1.00 0.00 H ATOM 451 CD2 LEU J 1 19.005 -1.728 -4.015 1.00 0.00 C ATOM 452 HD21 LEU J 1 20.014 -1.289 -3.839 1.00 0.00 H ATOM 453 HD22 LEU J 1 18.784 -1.634 -5.099 1.00 0.00 H ATOM 454 HD23 LEU J 1 19.044 -2.806 -3.753 1.00 0.00 H ATOM 455 C LEU J 1 18.270 -0.090 0.655 1.00 0.00 C ATOM 456 O LEU J 1 17.414 -0.465 1.452 1.00 0.00 O ATOM 457 N LEU J 2 19.523 0.219 0.982 1.00 0.00 N ATOM 458 H LEU J 2 20.142 0.486 0.219 1.00 0.00 H ATOM 459 CA LEU J 2 20.168 0.103 2.278 1.00 0.00 C ATOM 460 HA LEU J 2 19.697 -0.681 2.855 1.00 0.00 H ATOM 461 CB LEU J 2 20.224 1.437 3.077 1.00 0.00 C ATOM 462 HB3 LEU J 2 20.822 2.201 2.535 1.00 0.00 H ATOM 463 HB2 LEU J 2 20.755 1.220 4.033 1.00 0.00 H ATOM 464 CG LEU J 2 18.851 2.055 3.427 1.00 0.00 C ATOM 465 HG LEU J 2 18.098 1.233 3.463 1.00 0.00 H ATOM 466 CD1 LEU J 2 18.403 3.101 2.393 1.00 0.00 C ATOM 467 HD11 LEU J 2 18.367 2.671 1.373 1.00 0.00 H ATOM 468 HD12 LEU J 2 19.115 3.954 2.382 1.00 0.00 H ATOM 469 HD13 LEU J 2 17.397 3.493 2.651 1.00 0.00 H ATOM 470 CD2 LEU J 2 18.887 2.703 4.821 1.00 0.00 C ATOM 471 HD21 LEU J 2 19.158 1.953 5.594 1.00 0.00 H ATOM 472 HD22 LEU J 2 19.638 3.522 4.846 1.00 0.00 H ATOM 473 HD23 LEU J 2 17.894 3.129 5.078 1.00 0.00 H ATOM 474 C LEU J 2 21.575 -0.352 1.941 1.00 0.00 C ATOM 475 O LEU J 2 22.121 -1.266 2.551 1.00 0.00 O ATOM 476 N LEU J 3 22.107 0.294 0.886 1.00 0.00 N ATOM 477 H LEU J 3 21.718 1.164 0.604 1.00 0.00 H ATOM 478 CA LEU J 3 22.764 -0.282 -0.271 1.00 0.00 C ATOM 479 HA LEU J 3 23.720 0.210 -0.366 1.00 0.00 H ATOM 480 CB LEU J 3 23.013 -1.828 -0.280 1.00 0.00 C ATOM 481 HB3 LEU J 3 23.661 -2.063 -1.153 1.00 0.00 H ATOM 482 HB2 LEU J 3 23.603 -2.059 0.632 1.00 0.00 H ATOM 483 CG LEU J 3 21.782 -2.769 -0.328 1.00 0.00 C ATOM 484 HG LEU J 3 20.889 -2.204 0.019 1.00 0.00 H ATOM 485 CD1 LEU J 3 21.511 -3.277 -1.753 1.00 0.00 C ATOM 486 HD11 LEU J 3 21.390 -2.422 -2.450 1.00 0.00 H ATOM 487 HD12 LEU J 3 20.594 -3.899 -1.784 1.00 0.00 H ATOM 488 HD13 LEU J 3 22.368 -3.886 -2.110 1.00 0.00 H ATOM 489 CD2 LEU J 3 21.969 -3.979 0.604 1.00 0.00 C ATOM 490 HD21 LEU J 3 22.856 -4.568 0.289 1.00 0.00 H ATOM 491 HD22 LEU J 3 22.126 -3.641 1.650 1.00 0.00 H ATOM 492 HD23 LEU J 3 21.076 -4.636 0.574 1.00 0.00 H ATOM 493 C LEU J 3 21.903 0.187 -1.483 1.00 0.00 C ATOM 494 O LEU J 3 20.852 0.862 -1.250 1.00 0.00 O ATOM 495 OXT LEU J 3 22.274 -0.105 -2.644 1.00 0.00 O TER 496 LEU J 3 ATOM 497 N MET K 1 18.203 -1.403 17.866 1.00 0.00 N ATOM 498 H MET K 1 18.126 -2.333 17.422 1.00 0.00 H ATOM 499 H2 MET K 1 17.629 -0.712 17.351 1.00 0.00 H ATOM 500 H3 MET K 1 19.223 -1.092 17.779 1.00 0.00 H ATOM 501 CA MET K 1 17.820 -1.441 19.305 1.00 0.00 C ATOM 502 HA MET K 1 18.507 -2.128 19.783 1.00 0.00 H ATOM 503 CB MET K 1 16.375 -1.996 19.514 1.00 0.00 C ATOM 504 HB3 MET K 1 16.043 -1.769 20.554 1.00 0.00 H ATOM 505 HB2 MET K 1 16.425 -3.106 19.447 1.00 0.00 H ATOM 506 CG MET K 1 15.281 -1.504 18.531 1.00 0.00 C ATOM 507 HG3 MET K 1 15.335 -0.393 18.472 1.00 0.00 H ATOM 508 HG2 MET K 1 14.292 -1.730 18.994 1.00 0.00 H ATOM 509 SD MET K 1 15.294 -2.219 16.851 1.00 0.00 S ATOM 510 CE MET K 1 14.643 -3.858 17.288 1.00 0.00 C ATOM 511 HE1 MET K 1 15.327 -4.409 17.967 1.00 0.00 H ATOM 512 HE2 MET K 1 14.503 -4.481 16.377 1.00 0.00 H ATOM 513 HE3 MET K 1 13.655 -3.775 17.789 1.00 0.00 H ATOM 514 C MET K 1 18.024 -0.113 20.017 1.00 0.00 C ATOM 515 O MET K 1 17.178 0.773 19.977 1.00 0.00 O ATOM 516 N MET K 2 19.204 0.043 20.631 1.00 0.00 N ATOM 517 H MET K 2 19.909 -0.666 20.497 1.00 0.00 H ATOM 518 CA MET K 2 19.721 1.268 21.189 1.00 0.00 C ATOM 519 HA MET K 2 19.609 2.050 20.452 1.00 0.00 H ATOM 520 CB MET K 2 18.983 1.700 22.490 1.00 0.00 C ATOM 521 HB3 MET K 2 19.508 2.574 22.933 1.00 0.00 H ATOM 522 HB2 MET K 2 17.966 2.048 22.197 1.00 0.00 H ATOM 523 CG MET K 2 18.804 0.585 23.545 1.00 0.00 C ATOM 524 HG3 MET K 2 19.795 0.135 23.776 1.00 0.00 H ATOM 525 HG2 MET K 2 18.181 -0.221 23.101 1.00 0.00 H ATOM 526 SD MET K 2 18.022 1.135 25.094 1.00 0.00 S ATOM 527 CE MET K 2 19.471 2.009 25.756 1.00 0.00 C ATOM 528 HE1 MET K 2 19.274 2.381 26.784 1.00 0.00 H ATOM 529 HE2 MET K 2 20.356 1.338 25.798 1.00 0.00 H ATOM 530 HE3 MET K 2 19.739 2.883 25.126 1.00 0.00 H ATOM 531 C MET K 2 21.228 1.102 21.418 1.00 0.00 C ATOM 532 O MET K 2 21.725 1.206 22.535 1.00 0.00 O ATOM 533 N MET K 3 22.047 0.812 20.386 1.00 0.00 N ATOM 534 H MET K 3 22.991 0.604 20.622 1.00 0.00 H ATOM 535 CA MET K 3 21.790 0.826 18.955 1.00 0.00 C ATOM 536 HA MET K 3 21.154 1.675 18.753 1.00 0.00 H ATOM 537 CB MET K 3 23.103 1.027 18.148 1.00 0.00 C ATOM 538 HB3 MET K 3 23.568 1.982 18.475 1.00 0.00 H ATOM 539 HB2 MET K 3 22.825 1.146 17.076 1.00 0.00 H ATOM 540 CG MET K 3 24.160 -0.102 18.244 1.00 0.00 C ATOM 541 HG3 MET K 3 24.904 0.087 17.438 1.00 0.00 H ATOM 542 HG2 MET K 3 23.672 -1.069 17.992 1.00 0.00 H ATOM 543 SD MET K 3 25.067 -0.236 19.822 1.00 0.00 S ATOM 544 CE MET K 3 24.298 -1.795 20.352 1.00 0.00 C ATOM 545 HE1 MET K 3 24.634 -2.078 21.372 1.00 0.00 H ATOM 546 HE2 MET K 3 23.189 -1.715 20.367 1.00 0.00 H ATOM 547 HE3 MET K 3 24.563 -2.623 19.661 1.00 0.00 H ATOM 548 C MET K 3 21.044 -0.412 18.388 1.00 0.00 C ATOM 549 O MET K 3 20.503 -0.301 17.256 1.00 0.00 O ATOM 550 OXT MET K 3 20.873 -1.446 19.088 1.00 0.00 O TER 551 MET K 3 ATOM 552 N ASN L 1 7.847 4.956 41.433 1.00 0.00 N ATOM 553 H ASN L 1 7.752 3.918 41.520 1.00 0.00 H ATOM 554 H2 ASN L 1 7.790 5.443 42.345 1.00 0.00 H ATOM 555 H3 ASN L 1 7.082 5.358 40.810 1.00 0.00 H ATOM 556 CA ASN L 1 9.107 5.283 40.699 1.00 0.00 C ATOM 557 HA ASN L 1 8.948 6.260 40.262 1.00 0.00 H ATOM 558 CB ASN L 1 9.349 4.263 39.540 1.00 0.00 C ATOM 559 HB3 ASN L 1 8.468 4.274 38.861 1.00 0.00 H ATOM 560 HB2 ASN L 1 10.236 4.551 38.941 1.00 0.00 H ATOM 561 CG ASN L 1 9.502 2.838 40.075 1.00 0.00 C ATOM 562 OD1 ASN L 1 8.613 2.375 40.793 1.00 0.00 O ATOM 563 ND2 ASN L 1 10.628 2.161 39.783 1.00 0.00 N ATOM 564 HD21 ASN L 1 11.408 2.644 39.370 1.00 0.00 H ATOM 565 HD22 ASN L 1 10.715 1.232 40.133 1.00 0.00 H ATOM 566 C ASN L 1 10.334 5.435 41.567 1.00 0.00 C ATOM 567 O ASN L 1 10.418 4.913 42.673 1.00 0.00 O ATOM 568 N ASN L 2 11.322 6.180 41.055 1.00 0.00 N ATOM 569 H ASN L 2 11.204 6.709 40.214 1.00 0.00 H ATOM 570 CA ASN L 2 12.639 6.305 41.621 1.00 0.00 C ATOM 571 HA ASN L 2 12.565 6.413 42.696 1.00 0.00 H ATOM 572 CB ASN L 2 13.555 5.105 41.226 1.00 0.00 C ATOM 573 HB3 ASN L 2 13.178 4.198 41.747 1.00 0.00 H ATOM 574 HB2 ASN L 2 14.603 5.268 41.547 1.00 0.00 H ATOM 575 CG ASN L 2 13.515 4.794 39.726 1.00 0.00 C ATOM 576 OD1 ASN L 2 12.796 3.892 39.293 1.00 0.00 O ATOM 577 ND2 ASN L 2 14.299 5.518 38.898 1.00 0.00 N ATOM 578 HD21 ASN L 2 14.291 5.263 37.936 1.00 0.00 H ATOM 579 HD22 ASN L 2 14.810 6.323 39.218 1.00 0.00 H ATOM 580 C ASN L 2 13.160 7.603 41.050 1.00 0.00 C ATOM 581 O ASN L 2 12.565 8.128 40.108 1.00 0.00 O ATOM 582 N ASN L 3 14.275 8.134 41.581 1.00 0.00 N ATOM 583 H ASN L 3 14.743 7.701 42.345 1.00 0.00 H ATOM 584 CA ASN L 3 14.915 9.321 41.045 1.00 0.00 C ATOM 585 HA ASN L 3 14.204 10.131 41.146 1.00 0.00 H ATOM 586 CB ASN L 3 16.183 9.705 41.857 1.00 0.00 C ATOM 587 HB3 ASN L 3 15.866 10.051 42.865 1.00 0.00 H ATOM 588 HB2 ASN L 3 16.727 10.537 41.366 1.00 0.00 H ATOM 589 CG ASN L 3 17.152 8.544 42.083 1.00 0.00 C ATOM 590 OD1 ASN L 3 17.568 8.298 43.215 1.00 0.00 O ATOM 591 ND2 ASN L 3 17.486 7.778 41.024 1.00 0.00 N ATOM 592 HD21 ASN L 3 16.988 7.916 40.158 1.00 0.00 H ATOM 593 HD22 ASN L 3 18.138 7.042 41.169 1.00 0.00 H ATOM 594 C ASN L 3 15.238 9.231 39.526 1.00 0.00 C ATOM 595 O ASN L 3 15.546 8.117 39.024 1.00 0.00 O ATOM 596 OXT ASN L 3 15.126 10.274 38.834 1.00 0.00 O TER 597 ASN L 3 ATOM 598 N PRO M 1 16.443 18.010 -0.787 1.00 0.00 N ATOM 599 H PRO M 1 16.806 17.313 -0.155 1.00 0.00 H ATOM 600 H2 PRO M 1 17.265 18.339 -1.302 1.00 0.00 H ATOM 601 CD PRO M 1 15.365 17.450 -1.667 1.00 0.00 C ATOM 602 HD3 PRO M 1 15.566 17.709 -2.729 1.00 0.00 H ATOM 603 HD2 PRO M 1 15.333 16.345 -1.553 1.00 0.00 H ATOM 604 CA PRO M 1 15.890 19.118 0.036 1.00 0.00 C ATOM 605 HA PRO M 1 16.041 20.004 -0.560 1.00 0.00 H ATOM 606 CB PRO M 1 14.431 18.687 0.222 1.00 0.00 C ATOM 607 HB3 PRO M 1 13.780 19.541 0.504 1.00 0.00 H ATOM 608 HB2 PRO M 1 14.344 17.895 1.001 1.00 0.00 H ATOM 609 CG PRO M 1 14.068 18.108 -1.157 1.00 0.00 C ATOM 610 HG3 PRO M 1 13.226 17.388 -1.101 1.00 0.00 H ATOM 611 HG2 PRO M 1 13.786 18.937 -1.845 1.00 0.00 H ATOM 612 C PRO M 1 16.771 19.126 1.260 1.00 0.00 C ATOM 613 O PRO M 1 16.978 18.025 1.770 1.00 0.00 O ATOM 614 N PRO M 2 17.313 20.229 1.759 1.00 0.00 N ATOM 615 CD PRO M 2 16.932 21.594 1.384 1.00 0.00 C ATOM 616 HD3 PRO M 2 15.873 21.779 1.669 1.00 0.00 H ATOM 617 HD2 PRO M 2 17.078 21.756 0.291 1.00 0.00 H ATOM 618 CA PRO M 2 18.494 20.192 2.607 1.00 0.00 C ATOM 619 HA PRO M 2 18.378 19.426 3.361 1.00 0.00 H ATOM 620 CB PRO M 2 18.509 21.599 3.231 1.00 0.00 C ATOM 621 HB3 PRO M 2 17.853 21.587 4.130 1.00 0.00 H ATOM 622 HB2 PRO M 2 19.522 21.929 3.539 1.00 0.00 H ATOM 623 CG PRO M 2 17.876 22.515 2.171 1.00 0.00 C ATOM 624 HG3 PRO M 2 17.346 23.377 2.624 1.00 0.00 H ATOM 625 HG2 PRO M 2 18.661 22.896 1.483 1.00 0.00 H ATOM 626 C PRO M 2 19.776 19.834 1.843 1.00 0.00 C ATOM 627 O PRO M 2 20.474 18.947 2.335 1.00 0.00 O ATOM 628 N PRO M 3 20.162 20.468 0.738 1.00 0.00 N ATOM 629 CD PRO M 3 21.256 21.447 0.891 1.00 0.00 C ATOM 630 HD3 PRO M 3 21.805 21.344 1.857 1.00 0.00 H ATOM 631 HD2 PRO M 3 20.811 22.463 0.826 1.00 0.00 H ATOM 632 CA PRO M 3 20.418 19.674 -0.468 1.00 0.00 C ATOM 633 HA PRO M 3 20.958 18.773 -0.208 1.00 0.00 H ATOM 634 CB PRO M 3 21.281 20.600 -1.328 1.00 0.00 C ATOM 635 HB3 PRO M 3 20.646 21.384 -1.797 1.00 0.00 H ATOM 636 HB2 PRO M 3 21.823 20.040 -2.117 1.00 0.00 H ATOM 637 CG PRO M 3 22.205 21.226 -0.291 1.00 0.00 C ATOM 638 HG3 PRO M 3 22.991 20.492 -0.002 1.00 0.00 H ATOM 639 HG2 PRO M 3 22.680 22.163 -0.644 1.00 0.00 H ATOM 640 C PRO M 3 19.155 19.269 -1.197 1.00 0.00 C ATOM 641 O PRO M 3 18.999 18.062 -1.530 1.00 0.00 O ATOM 642 OXT PRO M 3 18.262 20.129 -1.432 1.00 0.00 O TER 643 PRO M 3 ATOM 644 N GLN N 1 18.466 18.527 19.326 1.00 0.00 N ATOM 645 H GLN N 1 19.264 18.517 20.025 1.00 0.00 H ATOM 646 H2 GLN N 1 18.339 19.517 19.000 1.00 0.00 H ATOM 647 H3 GLN N 1 18.716 17.897 18.529 1.00 0.00 H ATOM 648 CA GLN N 1 17.233 18.013 20.018 1.00 0.00 C ATOM 649 HA GLN N 1 16.461 17.911 19.268 1.00 0.00 H ATOM 650 CB GLN N 1 17.491 16.620 20.684 1.00 0.00 C ATOM 651 HB3 GLN N 1 16.645 16.411 21.382 1.00 0.00 H ATOM 652 HB2 GLN N 1 18.410 16.649 21.309 1.00 0.00 H ATOM 653 CG GLN N 1 17.545 15.398 19.723 1.00 0.00 C ATOM 654 HG3 GLN N 1 16.605 15.348 19.133 1.00 0.00 H ATOM 655 HG2 GLN N 1 17.620 14.463 20.318 1.00 0.00 H ATOM 656 CD GLN N 1 18.706 15.475 18.726 1.00 0.00 C ATOM 657 OE1 GLN N 1 18.686 16.298 17.808 1.00 0.00 O ATOM 658 NE2 GLN N 1 19.755 14.648 18.917 1.00 0.00 N ATOM 659 HE21 GLN N 1 19.790 14.063 19.721 1.00 0.00 H ATOM 660 HE22 GLN N 1 20.514 14.714 18.275 1.00 0.00 H ATOM 661 C GLN N 1 16.689 19.007 21.030 1.00 0.00 C ATOM 662 O GLN N 1 15.484 19.171 21.189 1.00 0.00 O ATOM 663 N GLN N 2 17.610 19.742 21.668 1.00 0.00 N ATOM 664 H GLN N 2 18.572 19.430 21.632 1.00 0.00 H ATOM 665 CA GLN N 2 17.408 20.906 22.497 1.00 0.00 C ATOM 666 HA GLN N 2 16.592 20.732 23.186 1.00 0.00 H ATOM 667 CB GLN N 2 17.251 22.238 21.687 1.00 0.00 C ATOM 668 HB3 GLN N 2 18.183 22.479 21.129 1.00 0.00 H ATOM 669 HB2 GLN N 2 17.104 23.047 22.440 1.00 0.00 H ATOM 670 CG GLN N 2 16.064 22.320 20.683 1.00 0.00 C ATOM 671 HG3 GLN N 2 15.831 23.395 20.520 1.00 0.00 H ATOM 672 HG2 GLN N 2 15.172 21.836 21.133 1.00 0.00 H ATOM 673 CD GLN N 2 16.320 21.702 19.298 1.00 0.00 C ATOM 674 OE1 GLN N 2 17.348 21.100 18.981 1.00 0.00 O ATOM 675 NE2 GLN N 2 15.311 21.848 18.406 1.00 0.00 N ATOM 676 HE21 GLN N 2 15.455 21.489 17.489 1.00 0.00 H ATOM 677 HE22 GLN N 2 14.468 22.302 18.679 1.00 0.00 H ATOM 678 C GLN N 2 18.711 20.935 23.268 1.00 0.00 C ATOM 679 O GLN N 2 18.758 20.907 24.494 1.00 0.00 O ATOM 680 N GLN N 3 19.801 20.880 22.480 1.00 0.00 N ATOM 681 H GLN N 3 19.711 21.045 21.504 1.00 0.00 H ATOM 682 CA GLN N 3 21.032 20.204 22.804 1.00 0.00 C ATOM 683 HA GLN N 3 21.112 20.071 23.875 1.00 0.00 H ATOM 684 CB GLN N 3 22.241 21.028 22.277 1.00 0.00 C ATOM 685 HB3 GLN N 3 22.343 21.925 22.926 1.00 0.00 H ATOM 686 HB2 GLN N 3 23.158 20.414 22.423 1.00 0.00 H ATOM 687 CG GLN N 3 22.179 21.513 20.797 1.00 0.00 C ATOM 688 HG3 GLN N 3 21.447 22.346 20.727 1.00 0.00 H ATOM 689 HG2 GLN N 3 23.168 21.914 20.494 1.00 0.00 H ATOM 690 CD GLN N 3 21.737 20.468 19.765 1.00 0.00 C ATOM 691 OE1 GLN N 3 20.656 20.556 19.176 1.00 0.00 O ATOM 692 NE2 GLN N 3 22.583 19.439 19.544 1.00 0.00 N ATOM 693 HE21 GLN N 3 22.276 18.738 18.913 1.00 0.00 H ATOM 694 HE22 GLN N 3 23.211 19.201 20.282 1.00 0.00 H ATOM 695 C GLN N 3 21.015 18.784 22.170 1.00 0.00 C ATOM 696 O GLN N 3 22.007 18.036 22.349 1.00 0.00 O ATOM 697 OXT GLN N 3 20.034 18.455 21.442 1.00 0.00 O TER 698 GLN N 3 ATOM 699 N ARG O 1 13.197 12.006 38.356 1.00 0.00 N ATOM 700 H ARG O 1 12.999 12.620 39.174 1.00 0.00 H ATOM 701 H2 ARG O 1 12.269 11.679 37.986 1.00 0.00 H ATOM 702 H3 ARG O 1 13.750 11.172 38.695 1.00 0.00 H ATOM 703 CA ARG O 1 14.066 12.739 37.389 1.00 0.00 C ATOM 704 HA ARG O 1 14.926 12.115 37.195 1.00 0.00 H ATOM 705 CB ARG O 1 13.334 13.054 36.042 1.00 0.00 C ATOM 706 HB3 ARG O 1 12.240 12.946 36.174 1.00 0.00 H ATOM 707 HB2 ARG O 1 13.455 14.125 35.764 1.00 0.00 H ATOM 708 CG ARG O 1 13.771 12.232 34.793 1.00 0.00 C ATOM 709 HG3 ARG O 1 14.700 12.686 34.379 1.00 0.00 H ATOM 710 HG2 ARG O 1 12.982 12.358 34.015 1.00 0.00 H ATOM 711 CD ARG O 1 14.046 10.720 34.943 1.00 0.00 C ATOM 712 HD3 ARG O 1 15.007 10.578 35.490 1.00 0.00 H ATOM 713 HD2 ARG O 1 14.129 10.241 33.939 1.00 0.00 H ATOM 714 NE ARG O 1 12.915 10.079 35.682 1.00 0.00 N ATOM 715 HE ARG O 1 12.017 10.557 35.770 1.00 0.00 H ATOM 716 CZ ARG O 1 13.066 9.114 36.583 1.00 0.00 C ATOM 717 NH1 ARG O 1 14.162 8.397 36.660 1.00 0.00 N ATOM 718 HH11 ARG O 1 14.506 8.224 37.601 1.00 0.00 H ATOM 719 HH12 ARG O 1 14.856 8.580 35.990 1.00 0.00 H ATOM 720 NH2 ARG O 1 12.139 8.971 37.503 1.00 0.00 N ATOM 721 HH21 ARG O 1 11.387 9.654 37.539 1.00 0.00 H ATOM 722 HH22 ARG O 1 12.371 8.514 38.365 1.00 0.00 H ATOM 723 C ARG O 1 14.603 13.965 38.096 1.00 0.00 C ATOM 724 O ARG O 1 14.263 14.199 39.254 1.00 0.00 O ATOM 725 N ARG O 2 15.461 14.778 37.450 1.00 0.00 N ATOM 726 H ARG O 2 15.751 14.601 36.516 1.00 0.00 H ATOM 727 CA ARG O 2 16.075 15.905 38.126 1.00 0.00 C ATOM 728 HA ARG O 2 15.897 15.832 39.190 1.00 0.00 H ATOM 729 CB ARG O 2 15.435 17.234 37.641 1.00 0.00 C ATOM 730 HB3 ARG O 2 14.339 17.125 37.831 1.00 0.00 H ATOM 731 HB2 ARG O 2 15.550 17.327 36.539 1.00 0.00 H ATOM 732 CG ARG O 2 15.885 18.555 38.317 1.00 0.00 C ATOM 733 HG3 ARG O 2 16.845 18.909 37.881 1.00 0.00 H ATOM 734 HG2 ARG O 2 15.126 19.321 38.033 1.00 0.00 H ATOM 735 CD ARG O 2 15.962 18.549 39.857 1.00 0.00 C ATOM 736 HD3 ARG O 2 15.799 19.581 40.245 1.00 0.00 H ATOM 737 HD2 ARG O 2 15.188 17.874 40.284 1.00 0.00 H ATOM 738 NE ARG O 2 17.352 18.142 40.239 1.00 0.00 N ATOM 739 HE ARG O 2 18.121 18.477 39.652 1.00 0.00 H ATOM 740 CZ ARG O 2 17.710 17.239 41.140 1.00 0.00 C ATOM 741 NH1 ARG O 2 18.979 16.895 41.217 1.00 0.00 N ATOM 742 HH11 ARG O 2 19.219 16.040 41.645 1.00 0.00 H ATOM 743 HH12 ARG O 2 19.597 17.229 40.480 1.00 0.00 H ATOM 744 NH2 ARG O 2 16.853 16.641 41.937 1.00 0.00 N ATOM 745 HH21 ARG O 2 17.194 15.995 42.604 1.00 0.00 H ATOM 746 HH22 ARG O 2 15.902 16.906 41.882 1.00 0.00 H ATOM 747 C ARG O 2 17.587 15.823 38.011 1.00 0.00 C ATOM 748 O ARG O 2 18.215 15.038 38.716 1.00 0.00 O ATOM 749 N ARG O 3 18.214 16.634 37.141 1.00 0.00 N ATOM 750 H ARG O 3 17.706 17.270 36.575 1.00 0.00 H ATOM 751 CA ARG O 3 19.645 16.855 37.195 1.00 0.00 C ATOM 752 HA ARG O 3 20.148 15.913 37.375 1.00 0.00 H ATOM 753 CB ARG O 3 20.175 17.462 35.869 1.00 0.00 C ATOM 754 HB3 ARG O 3 19.994 16.703 35.074 1.00 0.00 H ATOM 755 HB2 ARG O 3 19.587 18.369 35.610 1.00 0.00 H ATOM 756 CG ARG O 3 21.683 17.807 35.891 1.00 0.00 C ATOM 757 HG3 ARG O 3 22.192 17.060 36.541 1.00 0.00 H ATOM 758 HG2 ARG O 3 22.095 17.687 34.863 1.00 0.00 H ATOM 759 CD ARG O 3 21.990 19.241 36.358 1.00 0.00 C ATOM 760 HD3 ARG O 3 21.415 19.551 37.256 1.00 0.00 H ATOM 761 HD2 ARG O 3 21.731 19.961 35.548 1.00 0.00 H ATOM 762 NE ARG O 3 23.460 19.333 36.637 1.00 0.00 N ATOM 763 HE ARG O 3 24.066 19.646 35.918 1.00 0.00 H ATOM 764 CZ ARG O 3 24.005 19.057 37.817 1.00 0.00 C ATOM 765 NH1 ARG O 3 23.334 18.606 38.853 1.00 0.00 N ATOM 766 HH11 ARG O 3 23.785 18.372 39.697 1.00 0.00 H ATOM 767 HH12 ARG O 3 22.354 18.342 38.769 1.00 0.00 H ATOM 768 NH2 ARG O 3 25.305 19.237 37.968 1.00 0.00 N ATOM 769 HH21 ARG O 3 25.711 19.044 38.850 1.00 0.00 H ATOM 770 HH22 ARG O 3 25.839 19.587 37.212 1.00 0.00 H ATOM 771 C ARG O 3 19.976 17.794 38.376 1.00 0.00 C ATOM 772 O ARG O 3 20.857 17.451 39.206 1.00 0.00 O ATOM 773 OXT ARG O 3 19.345 18.874 38.494 1.00 0.00 O TER 774 ARG O 3 ATOM 775 N SER P 1 16.142 36.560 -0.044 1.00 0.00 N ATOM 776 H SER P 1 17.054 36.321 -0.509 1.00 0.00 H ATOM 777 H2 SER P 1 15.443 35.811 -0.187 1.00 0.00 H ATOM 778 H3 SER P 1 15.803 37.471 -0.447 1.00 0.00 H ATOM 779 CA SER P 1 16.527 36.734 1.407 1.00 0.00 C ATOM 780 HA SER P 1 16.132 35.879 1.938 1.00 0.00 H ATOM 781 CB SER P 1 18.085 36.716 1.613 1.00 0.00 C ATOM 782 HB3 SER P 1 18.431 37.573 2.235 1.00 0.00 H ATOM 783 HB2 SER P 1 18.366 35.796 2.174 1.00 0.00 H ATOM 784 OG SER P 1 18.801 36.713 0.372 1.00 0.00 O ATOM 785 HG SER P 1 19.678 37.154 0.562 1.00 0.00 H ATOM 786 C SER P 1 15.882 37.936 2.062 1.00 0.00 C ATOM 787 O SER P 1 15.115 37.771 2.998 1.00 0.00 O ATOM 788 N SER P 2 16.109 39.183 1.608 1.00 0.00 N ATOM 789 H SER P 2 15.708 39.926 2.143 1.00 0.00 H ATOM 790 CA SER P 2 16.919 39.600 0.469 1.00 0.00 C ATOM 791 HA SER P 2 17.502 38.774 0.106 1.00 0.00 H ATOM 792 CB SER P 2 16.091 40.108 -0.728 1.00 0.00 C ATOM 793 HB3 SER P 2 16.759 40.530 -1.515 1.00 0.00 H ATOM 794 HB2 SER P 2 15.397 40.912 -0.385 1.00 0.00 H ATOM 795 OG SER P 2 15.351 39.012 -1.280 1.00 0.00 O ATOM 796 HG SER P 2 14.778 39.396 -1.962 1.00 0.00 H ATOM 797 C SER P 2 17.943 40.605 0.912 1.00 0.00 C ATOM 798 O SER P 2 17.650 41.508 1.689 1.00 0.00 O ATOM 799 N SER P 3 19.189 40.376 0.478 1.00 0.00 N ATOM 800 H SER P 3 19.402 39.729 -0.246 1.00 0.00 H ATOM 801 CA SER P 3 20.338 40.525 1.342 1.00 0.00 C ATOM 802 HA SER P 3 20.089 41.076 2.239 1.00 0.00 H ATOM 803 CB SER P 3 21.578 41.137 0.646 1.00 0.00 C ATOM 804 HB3 SER P 3 21.874 40.500 -0.218 1.00 0.00 H ATOM 805 HB2 SER P 3 22.432 41.165 1.360 1.00 0.00 H ATOM 806 OG SER P 3 21.299 42.454 0.168 1.00 0.00 O ATOM 807 HG SER P 3 20.965 42.951 0.921 1.00 0.00 H ATOM 808 C SER P 3 20.660 39.070 1.731 1.00 0.00 C ATOM 809 O SER P 3 20.856 38.244 0.796 1.00 0.00 O ATOM 810 OXT SER P 3 20.605 38.740 2.940 1.00 0.00 O TER 811 SER P 3 ATOM 812 N THR Q 1 17.644 38.466 15.943 1.00 0.00 N ATOM 813 H THR Q 1 17.185 37.531 15.984 1.00 0.00 H ATOM 814 H2 THR Q 1 17.027 39.119 16.497 1.00 0.00 H ATOM 815 H3 THR Q 1 17.742 38.794 14.966 1.00 0.00 H ATOM 816 CA THR Q 1 18.966 38.371 16.665 1.00 0.00 C ATOM 817 HA THR Q 1 19.435 39.345 16.649 1.00 0.00 H ATOM 818 CB THR Q 1 19.915 37.303 16.120 1.00 0.00 C ATOM 819 HB THR Q 1 19.590 36.271 16.402 1.00 0.00 H ATOM 820 OG1 THR Q 1 21.217 37.555 16.625 1.00 0.00 O ATOM 821 HG1 THR Q 1 21.766 36.787 16.419 1.00 0.00 H ATOM 822 CG2 THR Q 1 20.026 37.393 14.589 1.00 0.00 C ATOM 823 HG21 THR Q 1 20.344 38.410 14.273 1.00 0.00 H ATOM 824 HG22 THR Q 1 19.072 37.134 14.087 1.00 0.00 H ATOM 825 HG23 THR Q 1 20.792 36.676 14.220 1.00 0.00 H ATOM 826 C THR Q 1 18.561 38.043 18.063 1.00 0.00 C ATOM 827 O THR Q 1 17.822 37.082 18.234 1.00 0.00 O ATOM 828 N THR Q 2 18.878 38.937 19.017 1.00 0.00 N ATOM 829 H THR Q 2 19.783 39.354 19.072 1.00 0.00 H ATOM 830 CA THR Q 2 17.877 39.593 19.866 1.00 0.00 C ATOM 831 HA THR Q 2 18.432 40.298 20.459 1.00 0.00 H ATOM 832 CB THR Q 2 16.845 40.444 19.103 1.00 0.00 C ATOM 833 HB THR Q 2 16.098 40.880 19.812 1.00 0.00 H ATOM 834 OG1 THR Q 2 16.156 39.691 18.103 1.00 0.00 O ATOM 835 HG1 THR Q 2 15.728 38.993 18.638 1.00 0.00 H ATOM 836 CG2 THR Q 2 17.557 41.612 18.403 1.00 0.00 C ATOM 837 HG21 THR Q 2 18.300 41.257 17.663 1.00 0.00 H ATOM 838 HG22 THR Q 2 18.080 42.245 19.153 1.00 0.00 H ATOM 839 HG23 THR Q 2 16.812 42.249 17.878 1.00 0.00 H ATOM 840 C THR Q 2 17.121 38.706 20.843 1.00 0.00 C ATOM 841 O THR Q 2 16.185 38.018 20.440 1.00 0.00 O ATOM 842 N THR Q 3 17.428 38.738 22.146 1.00 0.00 N ATOM 843 H THR Q 3 16.894 38.211 22.811 1.00 0.00 H ATOM 844 CA THR Q 3 18.369 39.601 22.846 1.00 0.00 C ATOM 845 HA THR Q 3 18.284 40.611 22.480 1.00 0.00 H ATOM 846 CB THR Q 3 19.839 39.162 22.864 1.00 0.00 C ATOM 847 HB THR Q 3 20.393 39.779 23.613 1.00 0.00 H ATOM 848 OG1 THR Q 3 20.478 39.343 21.603 1.00 0.00 O ATOM 849 HG1 THR Q 3 21.401 39.150 21.790 1.00 0.00 H ATOM 850 CG2 THR Q 3 19.970 37.677 23.236 1.00 0.00 C ATOM 851 HG21 THR Q 3 19.479 37.487 24.216 1.00 0.00 H ATOM 852 HG22 THR Q 3 19.480 37.037 22.473 1.00 0.00 H ATOM 853 HG23 THR Q 3 21.035 37.382 23.319 1.00 0.00 H ATOM 854 C THR Q 3 17.893 39.656 24.308 1.00 0.00 C ATOM 855 O THR Q 3 18.436 40.504 25.062 1.00 0.00 O ATOM 856 OXT THR Q 3 16.993 38.853 24.679 1.00 0.00 O TER 857 THR Q 3 ATOM 858 N VAL R 1 18.906 36.782 39.918 1.00 0.00 N ATOM 859 H VAL R 1 19.584 36.310 39.283 1.00 0.00 H ATOM 860 H2 VAL R 1 19.537 37.078 40.724 1.00 0.00 H ATOM 861 H3 VAL R 1 18.152 36.157 40.238 1.00 0.00 H ATOM 862 CA VAL R 1 18.424 38.028 39.255 1.00 0.00 C ATOM 863 HA VAL R 1 19.297 38.623 39.083 1.00 0.00 H ATOM 864 CB VAL R 1 17.890 37.721 37.843 1.00 0.00 C ATOM 865 HB VAL R 1 18.756 37.372 37.227 1.00 0.00 H ATOM 866 CG1 VAL R 1 16.827 36.598 37.820 1.00 0.00 C ATOM 867 HG11 VAL R 1 17.226 35.633 38.192 1.00 0.00 H ATOM 868 HG12 VAL R 1 16.487 36.436 36.773 1.00 0.00 H ATOM 869 HG13 VAL R 1 15.934 36.878 38.418 1.00 0.00 H ATOM 870 CG2 VAL R 1 17.357 39.005 37.170 1.00 0.00 C ATOM 871 HG21 VAL R 1 17.107 38.802 36.106 1.00 0.00 H ATOM 872 HG22 VAL R 1 16.435 39.374 37.667 1.00 0.00 H ATOM 873 HG23 VAL R 1 18.121 39.813 37.193 1.00 0.00 H ATOM 874 C VAL R 1 17.460 38.838 40.124 1.00 0.00 C ATOM 875 O VAL R 1 16.298 38.474 40.266 1.00 0.00 O ATOM 876 N VAL R 2 17.844 39.940 40.810 1.00 0.00 N ATOM 877 H VAL R 2 17.097 40.407 41.272 1.00 0.00 H ATOM 878 CA VAL R 2 19.158 40.532 41.066 1.00 0.00 C ATOM 879 HA VAL R 2 19.677 39.816 41.677 1.00 0.00 H ATOM 880 CB VAL R 2 19.006 41.778 41.951 1.00 0.00 C ATOM 881 HB VAL R 2 18.433 41.470 42.859 1.00 0.00 H ATOM 882 CG1 VAL R 2 18.198 42.886 41.242 1.00 0.00 C ATOM 883 HG11 VAL R 2 17.202 42.525 40.916 1.00 0.00 H ATOM 884 HG12 VAL R 2 18.742 43.261 40.349 1.00 0.00 H ATOM 885 HG13 VAL R 2 18.047 43.745 41.930 1.00 0.00 H ATOM 886 CG2 VAL R 2 20.372 42.312 42.432 1.00 0.00 C ATOM 887 HG21 VAL R 2 20.939 41.522 42.968 1.00 0.00 H ATOM 888 HG22 VAL R 2 20.221 43.162 43.131 1.00 0.00 H ATOM 889 HG23 VAL R 2 20.984 42.680 41.581 1.00 0.00 H ATOM 890 C VAL R 2 20.027 40.818 39.833 1.00 0.00 C ATOM 891 O VAL R 2 19.558 41.351 38.832 1.00 0.00 O ATOM 892 N VAL R 3 21.321 40.441 39.813 1.00 0.00 N ATOM 893 H VAL R 3 21.847 40.669 39.002 1.00 0.00 H ATOM 894 CA VAL R 3 22.000 39.551 40.745 1.00 0.00 C ATOM 895 HA VAL R 3 21.785 39.886 41.748 1.00 0.00 H ATOM 896 CB VAL R 3 23.524 39.588 40.609 1.00 0.00 C ATOM 897 HB VAL R 3 23.960 38.800 41.268 1.00 0.00 H ATOM 898 CG1 VAL R 3 23.993 39.329 39.161 1.00 0.00 C ATOM 899 HG11 VAL R 3 25.103 39.332 39.118 1.00 0.00 H ATOM 900 HG12 VAL R 3 23.621 40.109 38.467 1.00 0.00 H ATOM 901 HG13 VAL R 3 23.641 38.339 38.803 1.00 0.00 H ATOM 902 CG2 VAL R 3 24.028 40.960 41.104 1.00 0.00 C ATOM 903 HG21 VAL R 3 25.137 40.996 41.060 1.00 0.00 H ATOM 904 HG22 VAL R 3 23.627 41.779 40.471 1.00 0.00 H ATOM 905 HG23 VAL R 3 23.713 41.136 42.154 1.00 0.00 H ATOM 906 C VAL R 3 21.426 38.114 40.639 1.00 0.00 C ATOM 907 O VAL R 3 21.504 37.461 39.566 1.00 0.00 O ATOM 908 OXT VAL R 3 20.734 37.688 41.608 1.00 0.00 O TER 909 VAL R 3 ATOM 910 N TRP S 1 37.595 -0.878 1.056 1.00 0.00 N ATOM 911 H TRP S 1 38.279 -0.206 1.506 1.00 0.00 H ATOM 912 H2 TRP S 1 36.659 -0.666 1.436 1.00 0.00 H ATOM 913 H3 TRP S 1 37.939 -1.785 1.437 1.00 0.00 H ATOM 914 CA TRP S 1 37.660 -0.895 -0.435 1.00 0.00 C ATOM 915 HA TRP S 1 36.795 -1.481 -0.717 1.00 0.00 H ATOM 916 CB TRP S 1 38.887 -1.720 -0.938 1.00 0.00 C ATOM 917 HB3 TRP S 1 39.282 -1.273 -1.878 1.00 0.00 H ATOM 918 HB2 TRP S 1 39.722 -1.659 -0.208 1.00 0.00 H ATOM 919 CG TRP S 1 38.595 -3.162 -1.224 1.00 0.00 C ATOM 920 CD1 TRP S 1 38.247 -3.661 -2.453 1.00 0.00 C ATOM 921 HD1 TRP S 1 38.186 -3.063 -3.357 1.00 0.00 H ATOM 922 NE1 TRP S 1 38.000 -5.009 -2.349 1.00 0.00 N ATOM 923 HE1 TRP S 1 37.752 -5.626 -3.065 1.00 0.00 H ATOM 924 CE2 TRP S 1 38.189 -5.411 -1.061 1.00 0.00 C ATOM 925 CD2 TRP S 1 38.572 -4.274 -0.310 1.00 0.00 C ATOM 926 CE3 TRP S 1 38.842 -4.413 1.053 1.00 0.00 C ATOM 927 HE3 TRP S 1 39.178 -3.582 1.654 1.00 0.00 H ATOM 928 CZ3 TRP S 1 38.714 -5.677 1.636 1.00 0.00 C ATOM 929 HZ3 TRP S 1 38.928 -5.800 2.690 1.00 0.00 H ATOM 930 CZ2 TRP S 1 38.056 -6.662 -0.482 1.00 0.00 C ATOM 931 HZ2 TRP S 1 37.760 -7.524 -1.059 1.00 0.00 H ATOM 932 CH2 TRP S 1 38.324 -6.781 0.884 1.00 0.00 C ATOM 933 HH2 TRP S 1 38.236 -7.747 1.365 1.00 0.00 H ATOM 934 C TRP S 1 37.408 0.389 -1.238 1.00 0.00 C ATOM 935 O TRP S 1 36.586 0.346 -2.145 1.00 0.00 O ATOM 936 N TRP S 2 37.993 1.587 -1.009 1.00 0.00 N ATOM 937 H TRP S 2 37.683 2.295 -1.638 1.00 0.00 H ATOM 938 CA TRP S 2 38.961 2.069 -0.034 1.00 0.00 C ATOM 939 HA TRP S 2 38.504 1.918 0.930 1.00 0.00 H ATOM 940 CB TRP S 2 39.184 3.597 -0.197 1.00 0.00 C ATOM 941 HB3 TRP S 2 39.865 3.975 0.595 1.00 0.00 H ATOM 942 HB2 TRP S 2 39.675 3.785 -1.178 1.00 0.00 H ATOM 943 CG TRP S 2 37.914 4.385 -0.115 1.00 0.00 C ATOM 944 CD1 TRP S 2 37.349 5.145 -1.108 1.00 0.00 C ATOM 945 HD1 TRP S 2 37.801 5.314 -2.079 1.00 0.00 H ATOM 946 NE1 TRP S 2 36.147 5.651 -0.670 1.00 0.00 N ATOM 947 HE1 TRP S 2 35.531 6.233 -1.156 1.00 0.00 H ATOM 948 CE2 TRP S 2 35.910 5.231 0.606 1.00 0.00 C ATOM 949 CD2 TRP S 2 37.004 4.425 1.001 1.00 0.00 C ATOM 950 CE3 TRP S 2 37.011 3.853 2.276 1.00 0.00 C ATOM 951 HE3 TRP S 2 37.830 3.235 2.620 1.00 0.00 H ATOM 952 CZ3 TRP S 2 35.927 4.097 3.124 1.00 0.00 C ATOM 953 HZ3 TRP S 2 35.919 3.663 4.117 1.00 0.00 H ATOM 954 CZ2 TRP S 2 34.836 5.471 1.447 1.00 0.00 C ATOM 955 HZ2 TRP S 2 34.005 6.086 1.141 1.00 0.00 H ATOM 956 CH2 TRP S 2 34.860 4.892 2.718 1.00 0.00 C ATOM 957 HH2 TRP S 2 34.036 5.064 3.399 1.00 0.00 H ATOM 958 C TRP S 2 40.294 1.339 0.030 1.00 0.00 C ATOM 959 O TRP S 2 40.636 0.581 -0.865 1.00 0.00 O ATOM 960 N TRP S 3 41.025 1.552 1.145 1.00 0.00 N ATOM 961 H TRP S 3 40.920 2.417 1.612 1.00 0.00 H ATOM 962 CA TRP S 3 41.341 0.489 2.096 1.00 0.00 C ATOM 963 HA TRP S 3 41.647 1.019 2.986 1.00 0.00 H ATOM 964 CB TRP S 3 42.562 -0.442 1.776 1.00 0.00 C ATOM 965 HB3 TRP S 3 43.447 0.214 1.635 1.00 0.00 H ATOM 966 HB2 TRP S 3 42.751 -1.041 2.695 1.00 0.00 H ATOM 967 CG TRP S 3 42.502 -1.390 0.614 1.00 0.00 C ATOM 968 CD1 TRP S 3 42.037 -2.678 0.687 1.00 0.00 C ATOM 969 HD1 TRP S 3 41.580 -3.093 1.579 1.00 0.00 H ATOM 970 NE1 TRP S 3 42.176 -3.294 -0.534 1.00 0.00 N ATOM 971 HE1 TRP S 3 41.845 -4.177 -0.786 1.00 0.00 H ATOM 972 CE2 TRP S 3 42.768 -2.433 -1.411 1.00 0.00 C ATOM 973 CD2 TRP S 3 43.008 -1.219 -0.724 1.00 0.00 C ATOM 974 CE3 TRP S 3 43.642 -0.169 -1.393 1.00 0.00 C ATOM 975 HE3 TRP S 3 43.820 0.771 -0.894 1.00 0.00 H ATOM 976 CZ3 TRP S 3 44.007 -0.346 -2.731 1.00 0.00 C ATOM 977 HZ3 TRP S 3 44.488 0.465 -3.263 1.00 0.00 H ATOM 978 CZ2 TRP S 3 43.130 -2.610 -2.737 1.00 0.00 C ATOM 979 HZ2 TRP S 3 42.945 -3.538 -3.251 1.00 0.00 H ATOM 980 CH2 TRP S 3 43.756 -1.545 -3.392 1.00 0.00 C ATOM 981 HH2 TRP S 3 44.052 -1.652 -4.428 1.00 0.00 H ATOM 982 C TRP S 3 40.030 -0.219 2.538 1.00 0.00 C ATOM 983 O TRP S 3 39.038 0.529 2.779 1.00 0.00 O ATOM 984 OXT TRP S 3 39.914 -1.468 2.541 1.00 0.00 O TER 985 TRP S 3 ATOM 986 N TYR T 1 39.204 -0.462 17.154 1.00 0.00 N ATOM 987 H TYR T 1 40.021 -1.093 17.284 1.00 0.00 H ATOM 988 H2 TYR T 1 39.527 0.512 17.407 1.00 0.00 H ATOM 989 H3 TYR T 1 38.872 -0.495 16.172 1.00 0.00 H ATOM 990 CA TYR T 1 38.129 -0.871 18.125 1.00 0.00 C ATOM 991 HA TYR T 1 37.275 -0.222 17.986 1.00 0.00 H ATOM 992 CB TYR T 1 37.749 -2.372 17.969 1.00 0.00 C ATOM 993 HB3 TYR T 1 36.979 -2.656 18.720 1.00 0.00 H ATOM 994 HB2 TYR T 1 38.631 -3.032 18.126 1.00 0.00 H ATOM 995 CG TYR T 1 37.162 -2.636 16.607 1.00 0.00 C ATOM 996 CD1 TYR T 1 37.809 -3.489 15.695 1.00 0.00 C ATOM 997 HD1 TYR T 1 38.732 -3.979 15.971 1.00 0.00 H ATOM 998 CE1 TYR T 1 37.263 -3.721 14.424 1.00 0.00 C ATOM 999 HE1 TYR T 1 37.769 -4.378 13.732 1.00 0.00 H ATOM 1000 CZ TYR T 1 36.061 -3.104 14.060 1.00 0.00 C ATOM 1001 OH TYR T 1 35.497 -3.321 12.790 1.00 0.00 O ATOM 1002 HH TYR T 1 36.036 -3.962 12.322 1.00 0.00 H ATOM 1003 CD2 TYR T 1 35.946 -2.038 16.234 1.00 0.00 C ATOM 1004 HD2 TYR T 1 35.413 -1.404 16.928 1.00 0.00 H ATOM 1005 CE2 TYR T 1 35.402 -2.267 14.963 1.00 0.00 C ATOM 1006 HE2 TYR T 1 34.466 -1.808 14.676 1.00 0.00 H ATOM 1007 C TYR T 1 38.715 -0.594 19.480 1.00 0.00 C ATOM 1008 O TYR T 1 39.712 -1.211 19.833 1.00 0.00 O ATOM 1009 N TYR T 2 38.218 0.468 20.155 1.00 0.00 N ATOM 1010 H TYR T 2 37.281 0.780 20.044 1.00 0.00 H ATOM 1011 CA TYR T 2 39.096 1.472 20.756 1.00 0.00 C ATOM 1012 HA TYR T 2 38.457 2.294 21.047 1.00 0.00 H ATOM 1013 CB TYR T 2 39.828 0.989 22.042 1.00 0.00 C ATOM 1014 HB3 TYR T 2 40.522 0.152 21.817 1.00 0.00 H ATOM 1015 HB2 TYR T 2 40.424 1.804 22.508 1.00 0.00 H ATOM 1016 CG TYR T 2 38.818 0.534 23.059 1.00 0.00 C ATOM 1017 CD1 TYR T 2 38.555 -0.833 23.254 1.00 0.00 C ATOM 1018 HD1 TYR T 2 39.083 -1.565 22.659 1.00 0.00 H ATOM 1019 CE1 TYR T 2 37.614 -1.248 24.206 1.00 0.00 C ATOM 1020 HE1 TYR T 2 37.413 -2.299 24.352 1.00 0.00 H ATOM 1021 CZ TYR T 2 36.941 -0.300 24.983 1.00 0.00 C ATOM 1022 OH TYR T 2 36.002 -0.727 25.940 1.00 0.00 O ATOM 1023 HH TYR T 2 35.715 0.045 26.429 1.00 0.00 H ATOM 1024 CD2 TYR T 2 38.145 1.477 23.856 1.00 0.00 C ATOM 1025 HD2 TYR T 2 38.360 2.529 23.731 1.00 0.00 H ATOM 1026 CE2 TYR T 2 37.208 1.063 24.813 1.00 0.00 C ATOM 1027 HE2 TYR T 2 36.700 1.801 25.416 1.00 0.00 H ATOM 1028 C TYR T 2 40.066 2.082 19.731 1.00 0.00 C ATOM 1029 O TYR T 2 39.979 1.803 18.526 1.00 0.00 O ATOM 1030 N TYR T 3 40.976 2.934 20.192 1.00 0.00 N ATOM 1031 H TYR T 3 41.050 3.267 21.137 1.00 0.00 H ATOM 1032 CA TYR T 3 42.013 3.573 19.435 1.00 0.00 C ATOM 1033 HA TYR T 3 41.583 4.061 18.573 1.00 0.00 H ATOM 1034 CB TYR T 3 43.149 2.594 19.005 1.00 0.00 C ATOM 1035 HB3 TYR T 3 42.784 1.961 18.172 1.00 0.00 H ATOM 1036 HB2 TYR T 3 44.026 3.176 18.645 1.00 0.00 H ATOM 1037 CG TYR T 3 43.599 1.696 20.136 1.00 0.00 C ATOM 1038 CD1 TYR T 3 44.450 2.187 21.140 1.00 0.00 C ATOM 1039 HD1 TYR T 3 44.764 3.223 21.105 1.00 0.00 H ATOM 1040 CE1 TYR T 3 44.860 1.365 22.198 1.00 0.00 C ATOM 1041 HE1 TYR T 3 45.499 1.773 22.966 1.00 0.00 H ATOM 1042 CZ TYR T 3 44.431 0.034 22.252 1.00 0.00 C ATOM 1043 OH TYR T 3 44.831 -0.795 23.317 1.00 0.00 O ATOM 1044 HH TYR T 3 45.353 -0.252 23.912 1.00 0.00 H ATOM 1045 CD2 TYR T 3 43.188 0.351 20.196 1.00 0.00 C ATOM 1046 HD2 TYR T 3 42.533 -0.039 19.434 1.00 0.00 H ATOM 1047 CE2 TYR T 3 43.597 -0.475 21.253 1.00 0.00 C ATOM 1048 HE2 TYR T 3 43.268 -1.502 21.304 1.00 0.00 H ATOM 1049 C TYR T 3 42.534 4.699 20.360 1.00 0.00 C ATOM 1050 O TYR T 3 42.060 4.766 21.531 1.00 0.00 O ATOM 1051 OXT TYR T 3 43.397 5.489 19.902 1.00 0.00 O TER 1052 TYR T 3 END