NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
491397 | 2jsn | 15370 | cing | 1-original | 11 | PDB | coordinate | ensemble |
index0000744000372100000240000000022410643060577010705 0ustar fenggamesstandard_anneal The input file of Amber/sander prm1.pdb The PDB used to generate the atom numbers in restraints file all.rst The restraints fileprm1.pdb0000744000372100000240000024203010452206574011221 0ustar fenggamesREMARK ATOM 1 N MET 1 1.329 0.000 0.000 ATOM 2 H1 MET 1 1.793 -0.589 0.683 ATOM 3 H2 MET 1 1.266 0.947 0.358 ATOM 4 H3 MET 1 0.396 -0.357 -0.177 ATOM 5 CA MET 1 2.093 -0.001 -1.242 ATOM 6 HA MET 1 2.162 -1.007 -1.598 ATOM 7 CB MET 1 1.383 0.844 -2.303 ATOM 8 2HB MET 1 1.055 1.758 -1.846 ATOM 9 3HB MET 1 2.084 1.066 -3.085 ATOM 10 CG MET 1 0.177 0.156 -2.920 ATOM 11 2HG MET 1 0.194 -0.881 -2.643 ATOM 12 3HG MET 1 -0.714 0.614 -2.535 ATOM 13 SD MET 1 0.155 0.273 -4.719 ATOM 14 CE MET 1 -0.790 1.777 -4.949 ATOM 15 1HE MET 1 -1.789 1.654 -4.504 ATOM 16 2HE MET 1 -0.270 2.615 -4.460 ATOM 17 3HE MET 1 -0.891 1.986 -6.025 ATOM 18 C MET 1 3.504 0.531 -1.013 ATOM 19 O MET 1 3.687 1.652 -0.542 ATOM 20 N GLY 2 4.500 -0.284 -1.349 ATOM 21 H GLY 2 4.293 -1.196 -1.731 ATOM 22 CA GLY 2 5.882 0.123 -1.172 ATOM 23 2HA GLY 2 5.967 1.166 -1.409 ATOM 24 3HA GLY 2 6.159 -0.035 -0.147 ATOM 25 C GLY 2 6.834 -0.656 -2.059 ATOM 26 O GLY 2 6.420 -1.566 -2.778 ATOM 27 N HIS 3 8.113 -0.298 -2.010 ATOM 28 H HIS 3 8.390 0.457 -1.399 ATOM 29 CA HIS 3 9.126 -0.969 -2.816 ATOM 30 HA HIS 3 9.007 -2.026 -2.701 ATOM 31 CB HIS 3 8.947 -0.617 -4.293 ATOM 32 2HB HIS 3 8.291 0.230 -4.363 ATOM 33 3HB HIS 3 9.906 -0.361 -4.700 ATOM 34 CG HIS 3 8.369 -1.733 -5.109 ATOM 35 ND1 HIS 3 8.963 -2.973 -5.216 ATOM 36 HD1 HIS 3 9.825 -3.248 -4.767 ATOM 37 CE1 HIS 3 8.228 -3.744 -5.997 ATOM 38 HE1 HIS 3 8.449 -4.771 -6.263 ATOM 39 NE2 HIS 3 7.178 -3.051 -6.399 ATOM 40 CD2 HIS 3 7.243 -1.791 -5.857 ATOM 41 HD2 HIS 3 6.526 -0.991 -6.002 ATOM 42 C HIS 3 10.529 -0.585 -2.356 ATOM 43 O HIS 3 10.925 0.578 -2.442 ATOM 44 N HIS 4 11.276 -1.569 -1.866 ATOM 45 H HIS 4 10.894 -2.503 -1.821 ATOM 46 CA HIS 4 12.635 -1.333 -1.391 ATOM 47 HA HIS 4 12.624 -0.492 -0.729 ATOM 48 CB HIS 4 13.147 -2.551 -0.622 ATOM 49 2HB HIS 4 14.145 -2.346 -0.287 ATOM 50 3HB HIS 4 12.510 -2.708 0.227 ATOM 51 CG HIS 4 13.170 -3.808 -1.436 ATOM 52 ND1 HIS 4 14.058 -4.019 -2.470 ATOM 53 HD1 HIS 4 14.764 -3.365 -2.775 ATOM 54 CE1 HIS 4 13.841 -5.210 -2.999 ATOM 55 HE1 HIS 4 14.387 -5.645 -3.828 ATOM 56 NE2 HIS 4 12.845 -5.780 -2.344 ATOM 57 CD2 HIS 4 12.409 -4.925 -1.363 ATOM 58 HD2 HIS 4 11.605 -5.110 -0.660 ATOM 59 C HIS 4 13.571 -1.022 -2.556 ATOM 60 O HIS 4 13.176 -1.095 -3.720 ATOM 61 N HIS 5 14.813 -0.674 -2.234 ATOM 62 H HIS 5 15.076 -0.632 -1.260 ATOM 63 CA HIS 5 15.804 -0.351 -3.253 ATOM 64 HA HIS 5 15.544 -0.864 -4.155 ATOM 65 CB HIS 5 15.810 1.152 -3.532 ATOM 66 2HB HIS 5 14.852 1.552 -3.259 ATOM 67 3HB HIS 5 16.572 1.606 -2.928 ATOM 68 CG HIS 5 16.075 1.495 -4.966 ATOM 69 ND1 HIS 5 16.996 2.443 -5.355 ATOM 70 HD1 HIS 5 17.571 2.989 -4.730 ATOM 71 CE1 HIS 5 17.010 2.526 -6.674 ATOM 72 HE1 HIS 5 17.636 3.188 -7.262 ATOM 73 NE2 HIS 5 16.131 1.665 -7.154 ATOM 74 CD2 HIS 5 15.533 1.008 -6.107 ATOM 75 HD2 HIS 5 14.769 0.242 -6.180 ATOM 76 C HIS 5 17.195 -0.805 -2.821 ATOM 77 O HIS 5 17.465 -0.965 -1.630 ATOM 78 N HIS 6 18.075 -1.012 -3.796 ATOM 79 H HIS 6 17.792 -0.864 -4.754 ATOM 80 CA HIS 6 19.438 -1.448 -3.516 ATOM 81 HA HIS 6 19.830 -0.850 -2.720 ATOM 82 CB HIS 6 19.447 -2.912 -3.074 ATOM 83 2HB HIS 6 20.411 -3.136 -2.660 ATOM 84 3HB HIS 6 18.695 -3.043 -2.320 ATOM 85 CG HIS 6 19.174 -3.876 -4.188 ATOM 86 ND1 HIS 6 20.114 -4.767 -4.660 ATOM 87 HD1 HIS 6 21.058 -4.859 -4.313 ATOM 88 CE1 HIS 6 19.587 -5.482 -5.638 ATOM 89 HE1 HIS 6 20.093 -6.260 -6.198 ATOM 90 NE2 HIS 6 18.339 -5.088 -5.817 ATOM 91 CD2 HIS 6 18.056 -4.085 -4.922 ATOM 92 HD2 HIS 6 17.113 -3.559 -4.822 ATOM 93 C HIS 6 20.329 -1.269 -4.742 ATOM 94 O HIS 6 19.916 -1.550 -5.868 ATOM 95 N HIS 7 21.551 -0.799 -4.516 ATOM 96 H HIS 7 21.830 -0.587 -3.569 ATOM 97 CA HIS 7 22.500 -0.582 -5.603 ATOM 98 HA HIS 7 22.213 -1.194 -6.433 ATOM 99 CB HIS 7 22.474 0.881 -6.046 ATOM 100 2HB HIS 7 23.302 1.050 -6.707 ATOM 101 3HB HIS 7 21.556 1.060 -6.571 ATOM 102 CG HIS 7 22.568 1.853 -4.910 ATOM 103 ND1 HIS 7 21.527 2.676 -4.536 ATOM 104 HD1 HIS 7 20.619 2.707 -4.978 ATOM 105 CE1 HIS 7 21.902 3.418 -3.509 ATOM 106 HE1 HIS 7 21.291 4.158 -3.004 ATOM 107 NE2 HIS 7 23.148 3.105 -3.202 ATOM 108 CD2 HIS 7 23.586 2.129 -4.062 ATOM 109 HD2 HIS 7 24.566 1.665 -4.062 ATOM 110 C HIS 7 23.912 -0.972 -5.177 ATOM 111 O HIS 7 24.234 -0.977 -3.988 ATOM 112 N HIS 8 24.751 -1.299 -6.155 ATOM 113 H HIS 8 24.426 -1.275 -7.111 ATOM 114 CA HIS 8 26.129 -1.691 -5.881 ATOM 115 HA HIS 8 26.564 -0.969 -5.221 ATOM 116 CB HIS 8 26.166 -3.058 -5.198 ATOM 117 2HB HIS 8 25.167 -3.318 -4.904 ATOM 118 3HB HIS 8 26.530 -3.780 -5.903 ATOM 119 CG HIS 8 27.043 -3.097 -3.984 ATOM 120 ND1 HIS 8 28.379 -3.435 -4.031 ATOM 121 HD1 HIS 8 28.889 -3.684 -4.866 ATOM 122 CE1 HIS 8 28.887 -3.383 -2.813 ATOM 123 HE1 HIS 8 29.915 -3.600 -2.545 ATOM 124 NE2 HIS 8 27.930 -3.022 -1.977 ATOM 125 CD2 HIS 8 26.768 -2.837 -2.685 ATOM 126 HD2 HIS 8 25.809 -2.538 -2.279 ATOM 127 C HIS 8 26.949 -1.729 -7.167 ATOM 128 O HIS 8 26.402 -1.636 -8.267 ATOM 129 N LEU 9 28.262 -1.865 -7.022 ATOM 130 H LEU 9 28.650 -1.936 -6.092 ATOM 131 CA LEU 9 29.158 -1.914 -8.172 ATOM 132 HA LEU 9 28.567 -1.928 -9.064 ATOM 133 CB LEU 9 30.053 -0.674 -8.201 ATOM 134 2HB LEU 9 30.890 -0.888 -8.838 ATOM 135 3HB LEU 9 29.482 0.133 -8.619 ATOM 136 CG LEU 9 30.600 -0.210 -6.850 ATOM 137 HG LEU 9 29.788 -0.169 -6.154 ATOM 138 CD1 LEU 9 31.632 -1.196 -6.325 ATOM 139 1HD1 LEU 9 31.165 -2.185 -6.201 ATOM 140 2HD1 LEU 9 32.465 -1.271 -7.041 ATOM 141 3HD1 LEU 9 32.013 -0.845 -5.354 ATOM 142 CD2 LEU 9 31.201 1.183 -6.968 ATOM 143 1HD2 LEU 9 32.023 1.167 -7.700 ATOM 144 2HD2 LEU 9 30.426 1.890 -7.302 ATOM 145 3HD2 LEU 9 31.589 1.500 -5.987 ATOM 146 C LEU 9 30.017 -3.174 -8.140 ATOM 147 O LEU 9 30.082 -3.867 -7.124 ATOM 148 N ASP 10 30.676 -3.464 -9.256 ATOM 149 H ASP 10 30.581 -2.855 -10.056 ATOM 150 CA ASP 10 31.534 -4.639 -9.355 ATOM 151 HA ASP 10 31.719 -5.009 -8.368 ATOM 152 CB ASP 10 30.841 -5.736 -10.164 ATOM 153 2HB ASP 10 31.580 -6.440 -10.493 ATOM 154 3HB ASP 10 30.130 -6.233 -9.532 ATOM 155 CG ASP 10 30.115 -5.190 -11.377 ATOM 156 OD1 ASP 10 28.971 -5.625 -11.630 ATOM 157 OD2 ASP 10 30.689 -4.328 -12.074 ATOM 158 C ASP 10 32.871 -4.283 -9.998 ATOM 159 O ASP 10 33.121 -4.614 -11.157 ATOM 160 N SER 11 33.726 -3.606 -9.238 ATOM 161 H SER 11 33.462 -3.367 -8.293 ATOM 162 CA SER 11 35.035 -3.200 -9.735 ATOM 163 HA SER 11 34.988 -3.130 -10.802 ATOM 164 CB SER 11 35.415 -1.829 -9.174 ATOM 165 2HB SER 11 34.798 -1.080 -9.632 ATOM 166 3HB SER 11 35.252 -1.827 -8.113 ATOM 167 OG SER 11 36.775 -1.530 -9.434 ATOM 168 HG SER 11 36.988 -0.666 -9.073 ATOM 169 C SER 11 36.100 -4.227 -9.362 ATOM 170 O SER 11 36.323 -4.507 -8.184 ATOM 171 N TYR 12 36.754 -4.786 -10.375 ATOM 172 H TYR 12 36.525 -4.513 -11.320 ATOM 173 CA TYR 12 37.793 -5.784 -10.155 ATOM 174 HA TYR 12 38.396 -5.470 -9.329 ATOM 175 CB TYR 12 37.167 -7.137 -9.814 ATOM 176 2HB TYR 12 36.644 -7.043 -8.882 ATOM 177 3HB TYR 12 36.472 -7.394 -10.590 ATOM 178 CG TYR 12 38.175 -8.257 -9.686 ATOM 179 CD1 TYR 12 38.129 -9.359 -10.531 ATOM 180 HD1 TYR 12 37.359 -9.415 -11.292 ATOM 181 CE1 TYR 12 39.047 -10.385 -10.418 ATOM 182 HE1 TYR 12 38.996 -11.238 -11.085 ATOM 183 CZ TYR 12 40.029 -10.317 -9.452 ATOM 184 OH TYR 12 40.947 -11.336 -9.336 ATOM 185 HH TYR 12 41.557 -11.137 -8.622 ATOM 186 CE2 TYR 12 40.096 -9.234 -8.601 ATOM 187 HE2 TYR 12 40.868 -9.184 -7.842 ATOM 188 CD2 TYR 12 39.173 -8.213 -8.721 ATOM 189 HD2 TYR 12 39.229 -7.363 -8.051 ATOM 190 C TYR 12 38.686 -5.920 -11.384 ATOM 191 O TYR 12 38.386 -6.684 -12.302 ATOM 192 N ALA 13 39.786 -5.174 -11.394 ATOM 193 H ALA 13 39.976 -4.565 -10.611 ATOM 194 CA ALA 13 40.725 -5.213 -12.508 ATOM 195 HA ALA 13 40.602 -6.145 -13.019 ATOM 196 CB ALA 13 40.429 -4.087 -13.487 ATOM 197 1HB ALA 13 39.405 -4.198 -13.876 ATOM 198 2HB ALA 13 40.523 -3.119 -12.972 ATOM 199 3HB ALA 13 41.145 -4.129 -14.322 ATOM 200 C ALA 13 42.166 -5.122 -12.015 ATOM 201 O ALA 13 42.863 -4.133 -12.240 ATOM 202 N PRO 14 42.624 -6.177 -11.326 ATOM 203 CD PRO 14 41.847 -7.391 -11.020 ATOM 204 2HD PRO 14 41.382 -7.782 -11.904 ATOM 205 3HD PRO 14 41.096 -7.190 -10.280 ATOM 206 CG PRO 14 42.884 -8.343 -10.491 ATOM 207 2HG PRO 14 43.274 -8.948 -11.286 ATOM 208 3HG PRO 14 42.459 -8.976 -9.736 ATOM 209 CB PRO 14 43.962 -7.495 -9.909 ATOM 210 2HB PRO 14 44.906 -8.003 -9.950 ATOM 211 3HB PRO 14 43.736 -7.241 -8.891 ATOM 212 CA PRO 14 43.985 -6.240 -10.786 ATOM 213 HA PRO 14 44.185 -5.376 -10.188 ATOM 214 C PRO 14 45.037 -6.376 -11.882 ATOM 215 O PRO 14 44.725 -6.283 -13.069 ATOM 216 N ARG 15 46.283 -6.596 -11.476 ATOM 217 H ARG 15 46.474 -6.663 -10.487 ATOM 218 CA ARG 15 47.381 -6.743 -12.424 ATOM 219 HA ARG 15 46.984 -6.690 -13.416 ATOM 220 CB ARG 15 48.394 -5.612 -12.244 ATOM 221 2HB ARG 15 49.135 -5.694 -13.016 ATOM 222 3HB ARG 15 47.878 -4.676 -12.342 ATOM 223 CG ARG 15 49.099 -5.634 -10.897 ATOM 224 2HG ARG 15 48.784 -6.503 -10.353 ATOM 225 3HG ARG 15 50.159 -5.679 -11.059 ATOM 226 CD ARG 15 48.776 -4.394 -10.078 ATOM 227 2HD ARG 15 49.081 -3.526 -10.630 ATOM 228 3HD ARG 15 47.717 -4.357 -9.909 ATOM 229 NE ARG 15 49.459 -4.396 -8.788 ATOM 230 HE ARG 15 50.069 -5.172 -8.572 ATOM 231 CZ ARG 15 49.323 -3.434 -7.882 ATOM 232 NH1 ARG 15 48.532 -2.398 -8.125 ATOM 233 1HH1 ARG 15 48.031 -2.339 -9.000 ATOM 234 2HH1 ARG 15 48.430 -1.668 -7.435 ATOM 235 NH2 ARG 15 49.979 -3.508 -6.731 ATOM 236 1HH2 ARG 15 50.582 -4.296 -6.543 ATOM 237 2HH2 ARG 15 49.875 -2.776 -6.043 ATOM 238 C ARG 15 48.073 -8.092 -12.249 ATOM 239 O ARG 15 47.643 -8.922 -11.448 ATOM 240 N ALA 16 49.145 -8.304 -13.004 ATOM 241 H ALA 16 49.447 -7.583 -13.644 ATOM 242 CA ALA 16 49.897 -9.550 -12.932 ATOM 243 HA ALA 16 50.710 -9.493 -13.626 ATOM 244 CB ALA 16 50.472 -9.740 -11.536 ATOM 245 1HB ALA 16 51.144 -8.901 -11.298 ATOM 246 2HB ALA 16 49.652 -9.773 -10.802 ATOM 247 3HB ALA 16 51.037 -10.684 -11.497 ATOM 248 C ALA 16 49.024 -10.741 -13.313 ATOM 249 O ALA 16 47.806 -10.613 -13.439 ATOM 250 N GLU 17 49.654 -11.897 -13.496 ATOM 251 H GLU 17 50.656 -11.936 -13.377 ATOM 252 CA GLU 17 48.933 -13.110 -13.864 ATOM 253 HA GLU 17 49.640 -13.904 -13.982 ATOM 254 CB GLU 17 47.945 -13.497 -12.761 ATOM 255 2HB GLU 17 47.108 -12.828 -12.806 ATOM 256 3HB GLU 17 47.611 -14.500 -12.942 ATOM 257 CG GLU 17 48.537 -13.433 -11.364 ATOM 258 2HG GLU 17 49.557 -13.763 -11.408 ATOM 259 3HG GLU 17 48.504 -12.416 -11.023 ATOM 260 CD GLU 17 47.788 -14.302 -10.372 ATOM 261 OE1 GLU 17 47.160 -13.742 -9.450 ATOM 262 OE2 GLU 17 47.830 -15.541 -10.518 ATOM 263 C GLU 17 48.190 -12.921 -15.184 ATOM 264 O GLU 17 47.090 -12.371 -15.216 ATOM 265 N ALA 18 48.802 -13.382 -16.271 ATOM 266 H ALA 18 49.706 -13.823 -16.178 ATOM 267 CA ALA 18 48.199 -13.266 -17.593 ATOM 268 HA ALA 18 47.743 -12.301 -17.672 ATOM 269 CB ALA 18 49.267 -13.380 -18.671 ATOM 270 1HB ALA 18 50.007 -12.575 -18.541 ATOM 271 2HB ALA 18 49.769 -14.357 -18.589 ATOM 272 3HB ALA 18 48.798 -13.291 -19.663 ATOM 273 C ALA 18 47.121 -14.325 -17.800 ATOM 274 O ALA 18 45.949 -14.000 -17.989 ATOM 275 N GLU 19 47.526 -15.590 -17.762 ATOM 276 H GLU 19 48.503 -15.790 -17.601 ATOM 277 CA GLU 19 46.593 -16.696 -17.947 ATOM 278 HA GLU 19 47.128 -17.616 -17.835 ATOM 279 CB GLU 19 45.489 -16.643 -16.889 ATOM 280 2HB GLU 19 44.802 -15.863 -17.154 ATOM 281 3HB GLU 19 44.976 -17.585 -16.887 ATOM 282 CG GLU 19 46.004 -16.373 -15.485 ATOM 283 2HG GLU 19 46.626 -17.193 -15.184 ATOM 284 3HG GLU 19 46.584 -15.471 -15.499 ATOM 285 CD GLU 19 44.886 -16.215 -14.474 ATOM 286 OE1 GLU 19 44.338 -15.097 -14.366 ATOM 287 OE2 GLU 19 44.558 -17.207 -13.791 ATOM 288 C GLU 19 45.977 -16.660 -19.343 ATOM 289 O GLU 19 45.112 -15.833 -19.631 ATOM 290 N LYS 20 46.430 -17.562 -20.207 ATOM 291 H LYS 20 47.143 -18.213 -19.910 ATOM 292 CA LYS 20 45.924 -17.636 -21.572 ATOM 293 HA LYS 20 44.886 -17.375 -21.566 ATOM 294 CB LYS 20 46.671 -16.645 -22.469 ATOM 295 2HB LYS 20 47.580 -16.359 -21.976 ATOM 296 3HB LYS 20 46.905 -17.135 -23.395 ATOM 297 CG LYS 20 45.877 -15.388 -22.778 ATOM 298 2HG LYS 20 44.846 -15.652 -22.914 ATOM 299 3HG LYS 20 45.966 -14.708 -21.953 ATOM 300 CD LYS 20 46.382 -14.705 -24.038 ATOM 301 2HD LYS 20 46.580 -13.673 -23.820 ATOM 302 3HD LYS 20 47.288 -15.184 -24.355 ATOM 303 CE LYS 20 45.361 -14.785 -25.163 ATOM 304 2HE LYS 20 44.384 -14.602 -24.759 ATOM 305 3HE LYS 20 45.591 -14.035 -25.895 ATOM 306 NZ LYS 20 45.367 -16.120 -25.823 ATOM 307 1HZ LYS 20 46.285 -16.300 -26.214 ATOM 308 2HZ LYS 20 45.144 -16.836 -25.140 ATOM 309 3HZ LYS 20 44.676 -16.134 -26.565 ATOM 310 C LYS 20 46.067 -19.049 -22.129 ATOM 311 O LYS 20 46.995 -19.777 -21.775 ATOM 312 N THR 21 45.142 -19.431 -23.005 ATOM 313 H THR 21 44.405 -18.787 -23.256 ATOM 314 CA THR 21 45.166 -20.756 -23.611 ATOM 315 HA THR 21 45.643 -21.430 -22.931 ATOM 316 CB THR 21 43.741 -21.272 -23.888 ATOM 317 HB THR 21 43.257 -20.599 -24.565 ATOM 318 CG2 THR 21 43.779 -22.657 -24.518 ATOM 319 1HG2 THR 21 44.331 -22.612 -25.470 ATOM 320 2HG2 THR 21 44.283 -23.358 -23.834 ATOM 321 3HG2 THR 21 42.751 -23.003 -24.706 ATOM 322 OG1 THR 21 42.991 -21.318 -22.669 ATOM 323 1HG THR 21 42.105 -21.640 -22.850 ATOM 324 C THR 21 45.954 -20.751 -24.916 ATOM 325 O THR 21 45.792 -19.857 -25.747 ATOM 326 N PHE 22 46.808 -21.753 -25.090 ATOM 327 H PHE 22 46.895 -22.456 -24.370 ATOM 328 CA PHE 22 47.623 -21.863 -26.294 ATOM 329 HA PHE 22 47.291 -21.129 -26.998 ATOM 330 CB PHE 22 49.094 -21.595 -25.967 ATOM 331 2HB PHE 22 49.413 -22.305 -25.228 ATOM 332 3HB PHE 22 49.671 -21.727 -26.862 ATOM 333 CG PHE 22 49.347 -20.213 -25.438 ATOM 334 CD1 PHE 22 49.914 -19.240 -26.246 ATOM 335 HD1 PHE 22 50.176 -19.481 -27.270 ATOM 336 CE1 PHE 22 50.149 -17.967 -25.763 ATOM 337 HE1 PHE 22 50.592 -17.215 -26.406 ATOM 338 CZ PHE 22 49.818 -17.654 -24.459 ATOM 339 HZ PHE 22 50.002 -16.657 -24.077 ATOM 340 CE2 PHE 22 49.252 -18.614 -23.643 ATOM 341 HE2 PHE 22 48.990 -18.370 -22.620 ATOM 342 CD2 PHE 22 49.020 -19.886 -24.132 ATOM 343 HD2 PHE 22 48.577 -20.636 -23.486 ATOM 344 C PHE 22 47.475 -23.244 -26.927 ATOM 345 O PHE 22 46.851 -24.137 -26.354 ATOM 346 N SER 23 48.052 -23.410 -28.113 ATOM 347 H SER 23 48.552 -22.638 -28.530 ATOM 348 CA SER 23 47.981 -24.680 -28.827 ATOM 349 HA SER 23 48.141 -25.474 -28.127 ATOM 350 CB SER 23 46.598 -24.857 -29.458 ATOM 351 2HB SER 23 46.378 -24.001 -30.066 ATOM 352 3HB SER 23 46.602 -25.738 -30.070 ATOM 353 OG SER 23 45.597 -24.989 -28.464 ATOM 354 HG SER 23 44.741 -25.098 -28.885 ATOM 355 C SER 23 49.058 -24.758 -29.904 ATOM 356 O SER 23 49.129 -23.907 -30.790 ATOM 357 N TYR 24 49.895 -25.786 -29.820 ATOM 358 H TYR 24 49.783 -26.452 -29.069 ATOM 359 CA TYR 24 50.971 -25.977 -30.785 ATOM 360 HA TYR 24 51.607 -25.117 -30.759 ATOM 361 CB TYR 24 51.802 -27.207 -30.418 ATOM 362 2HB TYR 24 51.220 -27.826 -29.762 ATOM 363 3HB TYR 24 52.022 -27.748 -31.318 ATOM 364 CG TYR 24 53.107 -26.874 -29.729 ATOM 365 CD1 TYR 24 53.127 -26.104 -28.573 ATOM 366 HD1 TYR 24 52.194 -25.738 -28.160 ATOM 367 CE1 TYR 24 54.316 -25.796 -27.940 ATOM 368 HE1 TYR 24 54.314 -25.193 -27.039 ATOM 369 CZ TYR 24 55.505 -26.260 -28.462 ATOM 370 OH TYR 24 56.693 -25.956 -27.835 ATOM 371 HH TYR 24 57.421 -26.351 -28.320 ATOM 372 CE2 TYR 24 55.512 -27.026 -29.609 ATOM 373 HE2 TYR 24 56.448 -27.389 -30.017 ATOM 374 CD2 TYR 24 54.318 -27.327 -30.235 ATOM 375 HD2 TYR 24 54.327 -27.928 -31.137 ATOM 376 C TYR 24 50.416 -26.127 -32.198 ATOM 377 O TYR 24 49.239 -26.426 -32.401 ATOM 378 N PRO 25 51.283 -25.916 -33.199 ATOM 379 CD PRO 25 50.961 -26.008 -34.633 ATOM 380 2HD PRO 25 50.081 -25.440 -34.866 ATOM 381 3HD PRO 25 50.816 -27.029 -34.929 ATOM 382 CG PRO 25 52.173 -25.421 -35.301 ATOM 383 2HG PRO 25 52.034 -24.370 -35.469 ATOM 384 3HG PRO 25 52.357 -25.912 -36.237 ATOM 385 CB PRO 25 53.309 -25.649 -34.365 ATOM 386 2HB PRO 25 54.062 -24.895 -34.493 ATOM 387 3HB PRO 25 53.742 -26.618 -34.524 ATOM 388 CA PRO 25 52.686 -25.559 -32.969 ATOM 389 HA PRO 25 53.145 -26.270 -32.314 ATOM 390 C PRO 25 52.841 -24.150 -32.407 ATOM 391 O PRO 25 52.165 -23.218 -32.843 ATOM 392 N LEU 26 53.737 -24.001 -31.436 ATOM 393 H LEU 26 54.261 -24.805 -31.122 ATOM 394 CA LEU 26 53.981 -22.705 -30.814 ATOM 395 HA LEU 26 53.090 -22.396 -30.309 ATOM 396 CB LEU 26 55.110 -22.814 -29.788 ATOM 397 2HB LEU 26 55.137 -23.828 -29.437 ATOM 398 3HB LEU 26 56.031 -22.584 -30.288 ATOM 399 CG LEU 26 55.000 -21.900 -28.568 ATOM 400 HG LEU 26 54.058 -21.394 -28.610 ATOM 401 CD1 LEU 26 55.050 -22.714 -27.284 ATOM 402 1HD1 LEU 26 54.213 -23.430 -27.270 ATOM 403 2HD1 LEU 26 56.003 -23.263 -27.234 ATOM 404 3HD1 LEU 26 54.969 -22.039 -26.418 ATOM 405 CD2 LEU 26 56.106 -20.855 -28.583 ATOM 406 1HD2 LEU 26 57.086 -21.357 -28.566 ATOM 407 2HD2 LEU 26 56.022 -20.245 -29.496 ATOM 408 3HD2 LEU 26 56.011 -20.207 -27.698 ATOM 409 C LEU 26 54.333 -21.655 -31.863 ATOM 410 O LEU 26 54.471 -21.967 -33.046 ATOM 411 N ASP 27 54.477 -20.410 -31.422 ATOM 412 H ASP 27 54.348 -20.218 -30.439 ATOM 413 CA ASP 27 54.816 -19.314 -32.322 ATOM 414 HA ASP 27 55.490 -19.682 -33.067 ATOM 415 CB ASP 27 53.559 -18.791 -33.019 ATOM 416 2HB ASP 27 52.763 -19.494 -32.866 ATOM 417 3HB ASP 27 53.291 -17.847 -32.584 ATOM 418 CG ASP 27 53.761 -18.600 -34.510 ATOM 419 OD1 ASP 27 54.137 -19.578 -35.188 ATOM 420 OD2 ASP 27 53.542 -17.471 -34.997 ATOM 421 C ASP 27 55.501 -18.181 -31.565 ATOM 422 O ASP 27 56.472 -17.595 -32.046 ATOM 423 N LEU 28 54.989 -17.875 -30.377 ATOM 424 H LEU 28 54.191 -18.393 -30.037 ATOM 425 CA LEU 28 55.550 -16.811 -29.553 ATOM 426 HA LEU 28 55.410 -15.879 -30.059 ATOM 427 CB LEU 28 54.828 -16.747 -28.206 ATOM 428 2HB LEU 28 53.891 -17.259 -28.311 ATOM 429 3HB LEU 28 55.435 -17.258 -27.484 ATOM 430 CG LEU 28 54.538 -15.346 -27.666 ATOM 431 HG LEU 28 55.466 -14.823 -27.569 ATOM 432 CD1 LEU 28 53.652 -14.574 -28.631 ATOM 433 1HD1 LEU 28 54.160 -14.484 -29.603 ATOM 434 2HD1 LEU 28 52.699 -15.110 -28.763 ATOM 435 3HD1 LEU 28 53.455 -13.570 -28.225 ATOM 436 CD2 LEU 28 53.888 -15.429 -26.292 ATOM 437 1HD2 LEU 28 52.942 -15.987 -26.367 ATOM 438 2HD2 LEU 28 54.566 -15.948 -25.596 ATOM 439 3HD2 LEU 28 53.687 -14.413 -25.919 ATOM 440 C LEU 28 57.044 -17.024 -29.332 ATOM 441 O LEU 28 57.599 -18.054 -29.717 ATOM 442 N LEU 29 57.690 -16.045 -28.708 ATOM 443 H LEU 29 57.178 -15.224 -28.417 ATOM 444 CA LEU 29 59.121 -16.126 -28.433 ATOM 445 HA LEU 29 59.540 -16.907 -29.033 ATOM 446 CB LEU 29 59.806 -14.809 -28.800 ATOM 447 2HB LEU 29 59.181 -14.007 -28.456 ATOM 448 3HB LEU 29 60.747 -14.774 -28.286 ATOM 449 CG LEU 29 60.077 -14.585 -30.289 ATOM 450 HG LEU 29 59.760 -15.456 -30.824 ATOM 451 CD1 LEU 29 59.285 -13.393 -30.802 ATOM 452 1HD1 LEU 29 58.209 -13.578 -30.659 ATOM 453 2HD1 LEU 29 59.579 -12.490 -30.245 ATOM 454 3HD1 LEU 29 59.493 -13.248 -31.873 ATOM 455 CD2 LEU 29 61.565 -14.386 -30.536 ATOM 456 1HD2 LEU 29 61.916 -13.508 -29.973 ATOM 457 2HD2 LEU 29 62.115 -15.280 -30.203 ATOM 458 3HD2 LEU 29 61.740 -14.227 -31.611 ATOM 459 C LEU 29 59.375 -16.453 -26.965 ATOM 460 O LEU 29 58.871 -15.773 -26.070 ATOM 461 N LEU 30 60.162 -17.496 -26.724 ATOM 462 H LEU 30 60.545 -18.014 -27.502 ATOM 463 CA LEU 30 60.486 -17.912 -25.364 ATOM 464 HA LEU 30 60.377 -17.069 -24.715 ATOM 465 CB LEU 30 59.525 -19.009 -24.903 ATOM 466 2HB LEU 30 59.006 -19.376 -25.768 ATOM 467 3HB LEU 30 60.110 -19.800 -24.475 ATOM 468 CG LEU 30 58.477 -18.591 -23.870 ATOM 469 HG LEU 30 58.926 -17.888 -23.199 ATOM 470 CD1 LEU 30 57.295 -17.917 -24.551 ATOM 471 1HD1 LEU 30 57.643 -17.022 -25.089 ATOM 472 2HD1 LEU 30 56.834 -18.618 -25.264 ATOM 473 3HD1 LEU 30 56.553 -17.624 -23.792 ATOM 474 CD2 LEU 30 58.014 -19.796 -23.064 ATOM 475 1HD2 LEU 30 57.571 -20.542 -23.741 ATOM 476 2HD2 LEU 30 58.875 -20.240 -22.541 ATOM 477 3HD2 LEU 30 57.261 -19.477 -22.327 ATOM 478 C LEU 30 61.925 -18.411 -25.276 ATOM 479 O LEU 30 62.490 -18.888 -26.260 ATOM 480 N LYS 31 62.512 -18.300 -24.089 ATOM 481 H LYS 31 61.995 -17.899 -23.320 ATOM 482 CA LYS 31 63.884 -18.742 -23.869 ATOM 483 HA LYS 31 64.110 -19.514 -24.575 ATOM 484 CB LYS 31 64.857 -17.582 -24.087 ATOM 485 2HB LYS 31 65.853 -17.978 -24.127 ATOM 486 3HB LYS 31 64.621 -17.112 -25.022 ATOM 487 CG LYS 31 64.803 -16.529 -22.994 ATOM 488 2HG LYS 31 65.019 -15.570 -23.423 ATOM 489 3HG LYS 31 63.817 -16.517 -22.570 ATOM 490 CD LYS 31 65.810 -16.815 -21.893 ATOM 491 2HD LYS 31 65.303 -17.277 -21.068 ATOM 492 3HD LYS 31 66.560 -17.483 -22.271 ATOM 493 CE LYS 31 66.483 -15.540 -21.408 ATOM 494 2HE LYS 31 65.962 -14.696 -21.817 ATOM 495 3HE LYS 31 66.433 -15.507 -20.337 ATOM 496 NZ LYS 31 67.910 -15.473 -21.825 ATOM 497 1HZ LYS 31 68.413 -16.264 -21.438 ATOM 498 2HZ LYS 31 67.968 -15.498 -22.837 ATOM 499 3HZ LYS 31 68.322 -14.612 -21.484 ATOM 500 C LYS 31 64.055 -19.306 -22.462 ATOM 501 O LYS 31 63.513 -18.766 -21.497 ATOM 502 N LEU 32 64.812 -20.392 -22.353 ATOM 503 H LEU 32 65.229 -20.787 -23.184 ATOM 504 CA LEU 32 65.056 -21.028 -21.063 ATOM 505 HA LEU 32 64.252 -20.778 -20.402 ATOM 506 CB LEU 32 65.100 -22.548 -21.222 ATOM 507 2HB LEU 32 64.304 -22.832 -21.883 ATOM 508 3HB LEU 32 66.043 -22.804 -21.666 ATOM 509 CG LEU 32 64.952 -23.362 -19.936 ATOM 510 HG LEU 32 64.469 -22.750 -19.203 ATOM 511 CD1 LEU 32 64.090 -24.591 -20.178 ATOM 512 1HD1 LEU 32 63.091 -24.277 -20.519 ATOM 513 2HD1 LEU 32 64.559 -25.222 -20.948 ATOM 514 3HD1 LEU 32 63.995 -25.163 -19.242 ATOM 515 CD2 LEU 32 66.318 -23.764 -19.399 ATOM 516 1HD2 LEU 32 66.842 -24.375 -20.150 ATOM 517 2HD2 LEU 32 66.908 -22.860 -19.184 ATOM 518 3HD2 LEU 32 66.191 -24.348 -18.474 ATOM 519 C LEU 32 66.362 -20.531 -20.450 ATOM 520 O LEU 32 67.396 -20.489 -21.116 ATOM 521 N HIS 33 66.306 -20.159 -19.175 ATOM 522 H HIS 33 65.426 -20.218 -18.683 ATOM 523 CA HIS 33 67.485 -19.668 -18.470 ATOM 524 HA HIS 33 68.357 -20.027 -18.975 ATOM 525 CB HIS 33 67.512 -18.139 -18.479 ATOM 526 2HB HIS 33 67.252 -17.801 -19.463 ATOM 527 3HB HIS 33 66.785 -17.783 -17.775 ATOM 528 CG HIS 33 68.845 -17.561 -18.117 ATOM 529 ND1 HIS 33 70.038 -18.071 -18.583 ATOM 530 HD1 HIS 33 70.132 -18.865 -19.200 ATOM 531 CE1 HIS 33 71.039 -17.358 -18.097 ATOM 532 HE1 HIS 33 72.092 -17.528 -18.291 ATOM 533 NE2 HIS 33 70.538 -16.403 -17.334 ATOM 534 CD2 HIS 33 69.169 -16.508 -17.330 ATOM 535 HD2 HIS 33 68.477 -15.867 -16.796 ATOM 536 C HIS 33 67.512 -20.180 -17.033 ATOM 537 O HIS 33 66.548 -20.012 -16.286 ATOM 538 N ASP 34 68.620 -20.806 -16.654 ATOM 539 H ASP 34 69.376 -20.913 -17.315 ATOM 540 CA ASP 34 68.773 -21.343 -15.307 ATOM 541 HA ASP 34 69.667 -21.929 -15.274 ATOM 542 CB ASP 34 68.899 -20.205 -14.293 ATOM 543 2HB ASP 34 69.524 -19.439 -14.710 ATOM 544 3HB ASP 34 67.922 -19.804 -14.102 ATOM 545 CG ASP 34 69.502 -20.664 -12.980 ATOM 546 OD1 ASP 34 69.630 -19.828 -12.060 ATOM 547 OD2 ASP 34 69.846 -21.860 -12.871 ATOM 548 C ASP 34 67.592 -22.237 -14.941 ATOM 549 O ASP 34 67.011 -22.104 -13.865 ATOM 550 N GLU 35 67.243 -23.147 -15.846 ATOM 551 H GLU 35 67.761 -23.206 -16.711 ATOM 552 CA GLU 35 66.130 -24.062 -15.619 ATOM 553 HA GLU 35 66.014 -24.679 -16.486 ATOM 554 CB GLU 35 66.418 -24.962 -14.415 ATOM 555 2HB GLU 35 66.343 -24.370 -13.523 ATOM 556 3HB GLU 35 65.681 -25.741 -14.390 ATOM 557 CG GLU 35 67.795 -25.604 -14.451 ATOM 558 2HG GLU 35 67.906 -26.127 -15.381 ATOM 559 3HG GLU 35 68.536 -24.831 -14.384 ATOM 560 CD GLU 35 68.011 -26.584 -13.314 ATOM 561 OE1 GLU 35 67.574 -26.285 -12.183 ATOM 562 OE2 GLU 35 68.618 -27.648 -13.555 ATOM 563 C GLU 35 64.832 -23.293 -15.393 ATOM 564 O GLU 35 63.907 -23.790 -14.749 ATOM 565 N ARG 36 64.770 -22.077 -15.927 ATOM 566 H ARG 36 65.563 -21.726 -16.445 ATOM 567 CA ARG 36 63.586 -21.238 -15.783 ATOM 568 HA ARG 36 62.772 -21.851 -15.456 ATOM 569 CB ARG 36 63.830 -20.152 -14.734 ATOM 570 2HB ARG 36 64.831 -20.258 -14.362 ATOM 571 3HB ARG 36 63.724 -19.194 -15.206 ATOM 572 CG ARG 36 62.871 -20.216 -13.557 ATOM 573 2HG ARG 36 62.852 -19.260 -13.070 ATOM 574 3HG ARG 36 61.889 -20.452 -13.920 ATOM 575 CD ARG 36 63.294 -21.275 -12.551 ATOM 576 2HD ARG 36 62.607 -21.263 -11.726 ATOM 577 3HD ARG 36 63.265 -22.236 -13.027 ATOM 578 NE ARG 36 64.644 -21.041 -12.044 ATOM 579 HE ARG 36 65.380 -21.668 -12.338 ATOM 580 CZ ARG 36 64.956 -20.049 -11.218 ATOM 581 NH1 ARG 36 64.020 -19.205 -10.806 ATOM 582 1HH1 ARG 36 63.067 -19.315 -11.121 ATOM 583 2HH1 ARG 36 64.260 -18.452 -10.177 ATOM 584 NH2 ARG 36 66.207 -19.901 -10.800 ATOM 585 1HH2 ARG 36 66.923 -20.542 -11.111 ATOM 586 2HH2 ARG 36 66.443 -19.147 -10.171 ATOM 587 C ARG 36 63.208 -20.598 -17.116 ATOM 588 O ARG 36 63.933 -19.752 -17.638 ATOM 589 N VAL 37 62.068 -21.010 -17.661 ATOM 590 H VAL 37 61.518 -21.709 -17.183 ATOM 591 CA VAL 37 61.593 -20.477 -18.932 ATOM 592 HA VAL 37 62.408 -20.479 -19.625 ATOM 593 CB VAL 37 60.458 -21.340 -19.514 ATOM 594 HB VAL 37 60.054 -20.834 -20.366 ATOM 595 CG1 VAL 37 60.993 -22.689 -19.970 ATOM 596 1HG1 VAL 37 61.759 -22.537 -20.746 ATOM 597 2HG1 VAL 37 61.439 -23.216 -19.112 ATOM 598 3HG1 VAL 37 60.168 -23.291 -20.382 ATOM 599 CG2 VAL 37 59.345 -21.517 -18.491 ATOM 600 1HG2 VAL 37 59.747 -22.012 -17.594 ATOM 601 2HG2 VAL 37 58.940 -20.531 -18.216 ATOM 602 3HG2 VAL 37 58.544 -22.136 -18.924 ATOM 603 C VAL 37 61.097 -19.043 -18.776 ATOM 604 O VAL 37 60.162 -18.777 -18.020 ATOM 605 N LEU 38 61.729 -18.123 -19.496 ATOM 606 H LEU 38 62.489 -18.405 -20.098 ATOM 607 CA LEU 38 61.352 -16.715 -19.439 ATOM 608 HA LEU 38 60.489 -16.619 -18.814 ATOM 609 CB LEU 38 62.487 -15.887 -18.833 ATOM 610 2HB LEU 38 63.239 -15.758 -19.588 ATOM 611 3HB LEU 38 62.086 -14.930 -18.561 ATOM 612 CG LEU 38 63.163 -16.479 -17.596 ATOM 613 HG LEU 38 63.349 -17.517 -17.778 ATOM 614 CD1 LEU 38 64.494 -15.792 -17.335 ATOM 615 1HD1 LEU 38 65.155 -15.931 -18.204 ATOM 616 2HD1 LEU 38 64.326 -14.717 -17.170 ATOM 617 3HD1 LEU 38 64.965 -16.231 -16.442 ATOM 618 CD2 LEU 38 62.252 -16.360 -16.383 ATOM 619 1HD2 LEU 38 62.028 -15.299 -16.195 ATOM 620 2HD2 LEU 38 61.314 -16.905 -16.573 ATOM 621 3HD2 LEU 38 62.754 -16.791 -15.503 ATOM 622 C LEU 38 61.007 -16.187 -20.828 ATOM 623 O LEU 38 61.211 -16.869 -21.832 ATOM 624 N VAL 39 60.486 -14.965 -20.878 ATOM 625 H VAL 39 60.343 -14.455 -20.018 ATOM 626 CA VAL 39 60.116 -14.343 -22.144 ATOM 627 HA VAL 39 59.855 -15.116 -22.837 ATOM 628 CB VAL 39 58.902 -13.409 -21.977 ATOM 629 HB VAL 39 59.162 -12.643 -21.276 ATOM 630 CG1 VAL 39 58.553 -12.746 -23.300 ATOM 631 1HG1 VAL 39 59.413 -12.155 -23.652 ATOM 632 2HG1 VAL 39 58.309 -13.519 -24.045 ATOM 633 3HG1 VAL 39 57.685 -12.084 -23.161 ATOM 634 CG2 VAL 39 57.711 -14.177 -21.425 ATOM 635 1HG2 VAL 39 57.445 -14.989 -22.119 ATOM 636 2HG2 VAL 39 57.972 -14.603 -20.444 ATOM 637 3HG2 VAL 39 56.854 -13.495 -21.313 ATOM 638 C VAL 39 61.279 -13.548 -22.726 ATOM 639 O VAL 39 61.666 -12.511 -22.188 ATOM 640 N ALA 40 61.832 -14.040 -23.830 ATOM 641 H ALA 40 61.469 -14.896 -24.223 ATOM 642 CA ALA 40 62.949 -13.375 -24.487 ATOM 643 HA ALA 40 63.664 -13.101 -23.740 ATOM 644 CB ALA 40 63.623 -14.321 -25.470 ATOM 645 1HB ALA 40 63.998 -15.205 -24.931 ATOM 646 2HB ALA 40 62.895 -14.638 -26.232 ATOM 647 3HB ALA 40 64.464 -13.805 -25.958 ATOM 648 C ALA 40 62.491 -12.107 -25.200 ATOM 649 O ALA 40 63.277 -11.183 -25.412 ATOM 650 N PHE 41 61.214 -12.069 -25.567 ATOM 651 H PHE 41 60.619 -12.859 -25.362 ATOM 652 CA PHE 41 60.651 -10.915 -26.258 ATOM 653 HA PHE 41 60.889 -10.034 -25.699 ATOM 654 CB PHE 41 61.260 -10.783 -27.656 ATOM 655 2HB PHE 41 62.329 -10.814 -27.565 ATOM 656 3HB PHE 41 60.927 -11.612 -28.251 ATOM 657 CG PHE 41 60.880 -9.511 -28.358 ATOM 658 CD1 PHE 41 59.873 -9.505 -29.311 ATOM 659 HD1 PHE 41 59.357 -10.427 -29.551 ATOM 660 CE1 PHE 41 59.520 -8.336 -29.959 ATOM 661 HE1 PHE 41 58.730 -8.344 -30.702 ATOM 662 CZ PHE 41 60.175 -7.157 -29.659 ATOM 663 HZ PHE 41 59.902 -6.239 -30.167 ATOM 664 CE2 PHE 41 61.179 -7.150 -28.710 ATOM 665 HE2 PHE 41 61.693 -6.226 -28.471 ATOM 666 CD2 PHE 41 61.528 -8.322 -28.066 ATOM 667 HD2 PHE 41 62.318 -8.311 -27.324 ATOM 668 C PHE 41 59.133 -11.029 -26.361 ATOM 669 O PHE 41 58.576 -12.124 -26.291 ATOM 670 N GLY 42 58.469 -9.889 -26.528 ATOM 671 H GLY 42 58.977 -9.018 -26.580 ATOM 672 CA GLY 42 57.022 -9.883 -26.637 ATOM 673 2HA GLY 42 56.722 -10.688 -27.280 ATOM 674 3HA GLY 42 56.602 -10.030 -25.661 ATOM 675 C GLY 42 56.490 -8.582 -27.204 ATOM 676 O GLY 42 55.530 -8.581 -27.975 ATOM 677 N GLN 43 57.113 -7.472 -26.821 ATOM 678 H GLN 43 57.896 -7.540 -26.186 ATOM 679 CA GLN 43 56.693 -6.159 -27.296 ATOM 680 HA GLN 43 55.982 -6.294 -28.085 ATOM 681 CB GLN 43 56.023 -5.375 -26.166 ATOM 682 2HB GLN 43 56.106 -5.946 -25.261 ATOM 683 3HB GLN 43 56.539 -4.442 -26.048 ATOM 684 CG GLN 43 54.553 -5.083 -26.416 ATOM 685 2HG GLN 43 54.453 -4.058 -26.717 ATOM 686 3HG GLN 43 54.205 -5.723 -27.204 ATOM 687 CD GLN 43 53.695 -5.314 -25.188 ATOM 688 OE1 GLN 43 52.940 -4.435 -24.770 ATOM 689 NE2 GLN 43 53.805 -6.500 -24.603 ATOM 690 1HE2 GLN 43 53.257 -6.710 -23.781 ATOM 691 2HE2 GLN 43 54.437 -7.192 -24.980 ATOM 692 C GLN 43 57.880 -5.373 -27.842 ATOM 693 O GLN 43 59.028 -5.629 -27.478 ATOM 694 N ARG 44 57.596 -4.415 -28.718 ATOM 695 H ARG 44 56.633 -4.253 -28.976 ATOM 696 CA ARG 44 58.641 -3.592 -29.316 ATOM 697 HA ARG 44 59.406 -4.236 -29.696 ATOM 698 CB ARG 44 58.073 -2.773 -30.477 ATOM 699 2HB ARG 44 57.371 -3.384 -31.011 ATOM 700 3HB ARG 44 57.567 -1.917 -30.073 ATOM 701 CG ARG 44 59.131 -2.289 -31.455 ATOM 702 2HG ARG 44 58.910 -1.277 -31.735 ATOM 703 3HG ARG 44 60.091 -2.326 -30.977 ATOM 704 CD ARG 44 59.169 -3.151 -32.707 ATOM 705 2HD ARG 44 60.042 -2.896 -33.277 ATOM 706 3HD ARG 44 59.221 -4.182 -32.416 ATOM 707 NE ARG 44 57.987 -2.956 -33.543 ATOM 708 HE ARG 44 57.263 -2.335 -33.209 ATOM 709 CZ ARG 44 57.812 -3.550 -34.717 ATOM 710 NH1 ARG 44 58.736 -4.374 -35.192 ATOM 711 1HH1 ARG 44 59.576 -4.551 -34.660 ATOM 712 2HH1 ARG 44 58.599 -4.825 -36.085 ATOM 713 NH2 ARG 44 56.709 -3.322 -35.420 ATOM 714 1HH2 ARG 44 56.002 -2.696 -35.062 ATOM 715 2HH2 ARG 44 56.577 -3.775 -36.313 ATOM 716 C ARG 44 59.260 -2.661 -28.278 ATOM 717 O ARG 44 60.452 -2.750 -27.982 ATOM 718 N ASP 45 58.444 -1.768 -27.729 ATOM 719 H ASP 45 57.476 -1.745 -28.015 ATOM 720 CA ASP 45 58.911 -0.821 -26.724 ATOM 721 HA ASP 45 59.598 -0.144 -27.188 ATOM 722 CB ASP 45 57.736 -0.015 -26.167 ATOM 723 2HB ASP 45 56.998 -0.697 -25.792 ATOM 724 3HB ASP 45 58.092 0.603 -25.366 ATOM 725 CG ASP 45 57.092 0.870 -27.215 ATOM 726 OD1 ASP 45 57.714 1.080 -28.278 ATOM 727 OD2 ASP 45 55.967 1.353 -26.973 ATOM 728 C ASP 45 59.632 -1.543 -25.590 ATOM 729 O ASP 45 60.645 -1.066 -25.081 ATOM 730 N GLY 46 59.100 -2.697 -25.197 ATOM 731 H GLY 46 58.266 -3.042 -25.650 ATOM 732 CA GLY 46 59.705 -3.466 -24.125 ATOM 733 2HA GLY 46 59.844 -4.475 -24.461 ATOM 734 3HA GLY 46 60.658 -3.034 -23.887 ATOM 735 C GLY 46 58.852 -3.484 -22.872 ATOM 736 O GLY 46 58.973 -2.605 -22.018 ATOM 737 N ILE 47 57.986 -4.486 -22.762 ATOM 738 H ILE 47 57.934 -5.175 -23.498 ATOM 739 CA ILE 47 57.110 -4.614 -21.604 ATOM 740 HA ILE 47 57.564 -4.106 -20.779 ATOM 741 CB ILE 47 55.733 -3.977 -21.868 ATOM 742 HB ILE 47 55.269 -4.496 -22.680 ATOM 743 CG2 ILE 47 54.844 -4.109 -20.640 ATOM 744 1HG2 ILE 47 54.706 -5.175 -20.400 ATOM 745 2HG2 ILE 47 55.318 -3.599 -19.787 ATOM 746 3HG2 ILE 47 53.865 -3.649 -20.845 ATOM 747 CG1 ILE 47 55.893 -2.507 -22.260 ATOM 748 2HG1 ILE 47 55.007 -1.978 -21.964 ATOM 749 3HG1 ILE 47 56.740 -2.106 -21.737 ATOM 750 CD1 ILE 47 56.103 -2.296 -23.743 ATOM 751 1HD1 ILE 47 57.015 -2.823 -24.063 ATOM 752 2HD1 ILE 47 55.237 -2.692 -24.296 ATOM 753 3HD1 ILE 47 56.210 -1.220 -23.949 ATOM 754 C ILE 47 56.916 -6.077 -21.221 ATOM 755 O ILE 47 56.932 -6.427 -20.040 ATOM 756 N ARG 48 56.734 -6.927 -22.225 ATOM 757 H ARG 48 56.731 -6.577 -23.172 ATOM 758 CA ARG 48 56.538 -8.353 -21.993 ATOM 759 HA ARG 48 55.849 -8.475 -21.184 ATOM 760 CB ARG 48 55.948 -9.018 -23.239 ATOM 761 2HB ARG 48 55.649 -8.249 -23.924 ATOM 762 3HB ARG 48 56.709 -9.624 -23.692 ATOM 763 CG ARG 48 54.743 -9.897 -22.948 ATOM 764 2HG ARG 48 54.405 -10.340 -23.865 ATOM 765 3HG ARG 48 55.033 -10.670 -22.263 ATOM 766 CD ARG 48 53.604 -9.096 -22.337 ATOM 767 2HD ARG 48 53.577 -9.282 -21.281 ATOM 768 3HD ARG 48 53.782 -8.052 -22.511 ATOM 769 NE ARG 48 52.311 -9.456 -22.912 ATOM 770 HE ARG 48 52.302 -10.023 -23.748 ATOM 771 CZ ARG 48 51.146 -9.079 -22.396 ATOM 772 NH1 ARG 48 51.113 -8.334 -21.300 ATOM 773 1HH1 ARG 48 51.975 -8.052 -20.855 ATOM 774 2HH1 ARG 48 50.226 -8.049 -20.910 ATOM 775 NH2 ARG 48 50.012 -9.448 -22.977 ATOM 776 1HH2 ARG 48 50.034 -10.016 -23.812 ATOM 777 2HH2 ARG 48 49.127 -9.161 -22.584 ATOM 778 C ARG 48 57.853 -9.029 -21.617 ATOM 779 O ARG 48 57.863 -10.058 -20.940 ATOM 780 N VAL 49 58.961 -8.445 -22.061 ATOM 781 H VAL 49 58.886 -7.603 -22.613 ATOM 782 CA VAL 49 60.282 -8.989 -21.771 ATOM 783 HA VAL 49 60.369 -9.939 -22.255 ATOM 784 CB VAL 49 61.398 -8.069 -22.301 ATOM 785 HB VAL 49 61.327 -7.129 -21.795 ATOM 786 CG1 VAL 49 62.766 -8.666 -22.010 ATOM 787 1HG1 VAL 49 62.890 -8.787 -20.923 ATOM 788 2HG1 VAL 49 62.850 -9.648 -22.501 ATOM 789 3HG1 VAL 49 63.549 -7.995 -22.396 ATOM 790 CG2 VAL 49 61.221 -7.823 -23.792 ATOM 791 1HG2 VAL 49 61.263 -8.783 -24.330 ATOM 792 2HG2 VAL 49 60.246 -7.344 -23.972 ATOM 793 3HG2 VAL 49 62.026 -7.165 -24.153 ATOM 794 C VAL 49 60.475 -9.193 -20.272 ATOM 795 O VAL 49 60.142 -8.323 -19.469 ATOM 796 N GLY 50 61.018 -10.349 -19.903 ATOM 797 H GLY 50 61.274 -11.028 -20.606 ATOM 798 CA GLY 50 61.247 -10.646 -18.501 ATOM 799 2HA GLY 50 62.179 -11.170 -18.408 ATOM 800 3HA GLY 50 61.301 -9.722 -17.958 ATOM 801 C GLY 50 60.147 -11.499 -17.901 ATOM 802 O GLY 50 60.343 -12.143 -16.870 ATOM 803 N HIS 51 58.985 -11.503 -18.547 ATOM 804 H HIS 51 58.887 -10.952 -19.388 ATOM 805 CA HIS 51 57.848 -12.283 -18.071 ATOM 806 HA HIS 51 57.512 -11.864 -17.146 ATOM 807 CB HIS 51 56.701 -12.219 -19.079 ATOM 808 2HB HIS 51 57.115 -12.051 -20.054 ATOM 809 3HB HIS 51 56.186 -13.160 -19.067 ATOM 810 CG HIS 51 55.711 -11.133 -18.792 ATOM 811 ND1 HIS 51 56.029 -9.792 -18.841 ATOM 812 HD1 HIS 51 56.938 -9.416 -19.069 ATOM 813 CE1 HIS 51 54.960 -9.076 -18.543 ATOM 814 HE1 HIS 51 54.912 -7.994 -18.503 ATOM 815 NE2 HIS 51 53.959 -9.904 -18.302 ATOM 816 CD2 HIS 51 54.402 -11.195 -18.452 ATOM 817 HD2 HIS 51 53.813 -12.096 -18.322 ATOM 818 C HIS 51 58.249 -13.735 -17.829 ATOM 819 O HIS 51 59.140 -14.263 -18.495 ATOM 820 N ALA 52 57.585 -14.376 -16.872 ATOM 821 H ALA 52 56.865 -13.887 -16.360 ATOM 822 CA ALA 52 57.871 -15.767 -16.544 ATOM 823 HA ALA 52 58.394 -16.206 -17.368 ATOM 824 CB ALA 52 58.763 -15.846 -15.314 ATOM 825 1HB ALA 52 59.710 -15.321 -15.513 ATOM 826 2HB ALA 52 58.254 -15.373 -14.460 ATOM 827 3HB ALA 52 58.970 -16.901 -15.078 ATOM 828 C ALA 52 56.584 -16.553 -16.319 ATOM 829 O ALA 52 55.553 -15.986 -15.958 ATOM 830 N VAL 53 56.651 -17.863 -16.535 ATOM 831 H VAL 53 57.527 -18.269 -16.831 ATOM 832 CA VAL 53 55.491 -18.728 -16.355 ATOM 833 HA VAL 53 54.625 -18.210 -16.709 ATOM 834 CB VAL 53 55.637 -20.036 -17.156 ATOM 835 HB VAL 53 55.819 -19.784 -18.180 ATOM 836 CG1 VAL 53 56.819 -20.846 -16.646 ATOM 837 1HG1 VAL 53 57.742 -20.256 -16.754 ATOM 838 2HG1 VAL 53 56.664 -21.093 -15.584 ATOM 839 3HG1 VAL 53 56.906 -21.775 -17.230 ATOM 840 CG2 VAL 53 54.353 -20.849 -17.085 ATOM 841 1HG2 VAL 53 54.132 -21.095 -16.035 ATOM 842 2HG2 VAL 53 53.523 -20.262 -17.507 ATOM 843 3HG2 VAL 53 54.475 -21.779 -17.662 ATOM 844 C VAL 53 55.281 -19.067 -14.884 ATOM 845 O VAL 53 56.221 -19.441 -14.181 ATOM 846 N LEU 54 54.042 -18.934 -14.423 ATOM 847 H LEU 54 53.314 -18.623 -15.050 ATOM 848 CA LEU 54 53.707 -19.226 -13.034 ATOM 849 HA LEU 54 54.616 -19.367 -12.487 ATOM 850 CB LEU 54 52.944 -18.054 -12.415 ATOM 851 2HB LEU 54 52.423 -17.548 -13.205 ATOM 852 3HB LEU 54 52.234 -18.456 -11.719 ATOM 853 CG LEU 54 53.790 -17.018 -11.674 ATOM 854 HG LEU 54 53.135 -16.276 -11.267 ATOM 855 CD1 LEU 54 54.547 -17.670 -10.527 ATOM 856 1HD1 LEU 54 53.830 -18.117 -9.821 ATOM 857 2HD1 LEU 54 55.209 -18.455 -10.924 ATOM 858 3HD1 LEU 54 55.150 -16.910 -10.006 ATOM 859 CD2 LEU 54 54.755 -16.334 -12.631 ATOM 860 1HD2 LEU 54 55.423 -17.086 -13.079 ATOM 861 2HD2 LEU 54 54.186 -15.828 -13.426 ATOM 862 3HD2 LEU 54 55.354 -15.593 -12.080 ATOM 863 C LEU 54 52.875 -20.501 -12.931 ATOM 864 O LEU 54 53.134 -21.356 -12.085 ATOM 865 N ALA 55 51.876 -20.621 -13.799 ATOM 866 H ALA 55 51.714 -19.882 -14.468 ATOM 867 CA ALA 55 51.009 -21.792 -13.809 ATOM 868 HA ALA 55 51.504 -22.581 -13.282 ATOM 869 CB ALA 55 49.701 -21.487 -13.094 ATOM 870 1HB ALA 55 49.910 -21.204 -12.051 ATOM 871 2HB ALA 55 49.189 -20.656 -13.604 ATOM 872 3HB ALA 55 49.057 -22.380 -13.110 ATOM 873 C ALA 55 50.738 -22.263 -15.234 ATOM 874 O ALA 55 50.962 -21.525 -16.194 ATOM 875 N ILE 56 50.256 -23.494 -15.364 ATOM 876 H ILE 56 50.094 -24.050 -14.536 ATOM 877 CA ILE 56 49.955 -24.062 -16.672 ATOM 878 HA ILE 56 49.761 -23.259 -17.352 ATOM 879 CB ILE 56 51.139 -24.883 -17.215 ATOM 880 HB ILE 56 51.241 -25.766 -16.619 ATOM 881 CG2 ILE 56 50.878 -25.300 -18.655 ATOM 882 1HG2 ILE 56 49.965 -25.914 -18.700 ATOM 883 2HG2 ILE 56 50.747 -24.402 -19.279 ATOM 884 3HG2 ILE 56 51.733 -25.885 -19.028 ATOM 885 CG1 ILE 56 52.436 -24.077 -17.115 ATOM 886 2HG1 ILE 56 52.346 -23.210 -17.741 ATOM 887 3HG1 ILE 56 52.567 -23.769 -16.095 ATOM 888 CD1 ILE 56 53.663 -24.851 -17.542 ATOM 889 1HD1 ILE 56 53.778 -25.740 -16.902 ATOM 890 2HD1 ILE 56 53.551 -25.166 -18.591 ATOM 891 3HD1 ILE 56 54.553 -24.211 -17.444 ATOM 892 C ILE 56 48.718 -24.952 -16.613 ATOM 893 O ILE 56 48.634 -25.861 -15.788 ATOM 894 N ASN 57 47.761 -24.685 -17.496 ATOM 895 H ASN 57 47.891 -23.925 -18.149 ATOM 896 CA ASN 57 46.528 -25.463 -17.545 ATOM 897 HA ASN 57 45.871 -25.015 -18.261 ATOM 898 CB ASN 57 46.823 -26.898 -17.987 ATOM 899 2HB ASN 57 47.872 -26.985 -18.196 ATOM 900 3HB ASN 57 46.561 -27.565 -17.189 ATOM 901 CG ASN 57 46.045 -27.293 -19.227 ATOM 902 OD1 ASN 57 44.817 -27.378 -19.201 ATOM 903 ND2 ASN 57 46.758 -27.538 -20.320 ATOM 904 1HD2 ASN 57 46.294 -27.806 -21.176 ATOM 905 2HD2 ASN 57 47.764 -27.456 -20.295 ATOM 906 C ASN 57 45.834 -25.470 -16.187 ATOM 907 O ASN 57 45.097 -26.399 -15.859 ATOM 908 N GLY 58 46.075 -24.425 -15.400 ATOM 909 H GLY 58 46.689 -23.690 -15.720 ATOM 910 CA GLY 58 45.466 -24.330 -14.086 ATOM 911 2HA GLY 58 45.405 -23.295 -13.809 ATOM 912 3HA GLY 58 44.478 -24.746 -14.134 ATOM 913 C GLY 58 46.255 -25.071 -13.025 ATOM 914 O GLY 58 45.734 -25.375 -11.953 ATOM 915 N MET 59 47.517 -25.364 -13.326 ATOM 916 H MET 59 47.887 -25.088 -14.224 ATOM 917 CA MET 59 48.379 -26.075 -12.389 ATOM 918 HA MET 59 47.887 -26.119 -11.440 ATOM 919 CB MET 59 48.628 -27.504 -12.876 ATOM 920 2HB MET 59 48.841 -27.472 -13.927 ATOM 921 3HB MET 59 49.477 -27.899 -12.351 ATOM 922 CG MET 59 47.448 -28.436 -12.652 ATOM 923 2HG MET 59 46.949 -28.147 -11.747 ATOM 924 3HG MET 59 46.772 -28.339 -13.480 ATOM 925 SD MET 59 47.945 -30.163 -12.511 ATOM 926 CE MET 59 48.051 -30.628 -14.237 ATOM 927 1HE MET 59 47.069 -30.490 -14.715 ATOM 928 2HE MET 59 48.797 -29.995 -14.742 ATOM 929 3HE MET 59 48.352 -31.684 -14.315 ATOM 930 C MET 59 49.708 -25.347 -12.214 ATOM 931 O MET 59 50.460 -25.168 -13.172 ATOM 932 N ASP 60 49.990 -24.928 -10.985 ATOM 933 H ASP 60 49.331 -25.105 -10.241 ATOM 934 CA ASP 60 51.229 -24.219 -10.685 ATOM 935 HA ASP 60 51.212 -23.275 -11.189 ATOM 936 CB ASP 60 51.344 -23.966 -9.181 ATOM 937 2HB ASP 60 51.971 -23.110 -9.023 ATOM 938 3HB ASP 60 50.365 -23.769 -8.789 ATOM 939 CG ASP 60 51.937 -25.147 -8.438 ATOM 940 OD1 ASP 60 51.158 -25.972 -7.917 ATOM 941 OD2 ASP 60 53.181 -25.246 -8.379 ATOM 942 C ASP 60 52.439 -25.009 -11.174 ATOM 943 O ASP 60 52.517 -26.223 -10.989 ATOM 944 N VAL 61 53.381 -24.310 -11.801 ATOM 945 H VAL 61 53.258 -23.315 -11.922 ATOM 946 CA VAL 61 54.587 -24.946 -12.318 ATOM 947 HA VAL 61 54.581 -25.974 -12.020 ATOM 948 CB VAL 61 54.639 -24.885 -13.856 ATOM 949 HB VAL 61 55.598 -25.237 -14.174 ATOM 950 CG1 VAL 61 53.574 -25.786 -14.462 ATOM 951 1HG1 VAL 61 53.745 -26.825 -14.140 ATOM 952 2HG1 VAL 61 52.579 -25.456 -14.125 ATOM 953 3HG1 VAL 61 53.627 -25.729 -15.560 ATOM 954 CG2 VAL 61 54.473 -23.451 -14.338 ATOM 955 1HG2 VAL 61 53.502 -23.059 -13.997 ATOM 956 2HG2 VAL 61 55.284 -22.830 -13.928 ATOM 957 3HG2 VAL 61 54.513 -23.427 -15.438 ATOM 958 C VAL 61 55.840 -24.287 -11.751 ATOM 959 O VAL 61 55.763 -23.264 -11.073 ATOM 960 N ASN 62 56.994 -24.882 -12.036 ATOM 961 H ASN 62 56.990 -25.720 -12.599 ATOM 962 CA ASN 62 58.265 -24.353 -11.555 ATOM 963 HA ASN 62 58.145 -23.309 -11.352 ATOM 964 CB ASN 62 58.677 -25.057 -10.260 ATOM 965 2HB ASN 62 59.539 -24.561 -9.857 ATOM 966 3HB ASN 62 57.867 -24.992 -9.560 ATOM 967 CG ASN 62 59.015 -26.519 -10.479 ATOM 968 OD1 ASN 62 60.179 -26.879 -10.657 ATOM 969 ND2 ASN 62 57.995 -27.370 -10.466 ATOM 970 1HD2 ASN 62 58.159 -28.357 -10.606 ATOM 971 2HD2 ASN 62 57.056 -27.030 -10.316 ATOM 972 C ASN 62 59.357 -24.521 -12.607 ATOM 973 O ASN 62 59.546 -25.607 -13.153 ATOM 974 N GLY 63 60.075 -23.436 -12.885 ATOM 975 H GLY 63 59.877 -22.570 -12.405 ATOM 976 CA GLY 63 61.139 -23.484 -13.870 ATOM 977 2HA GLY 63 61.503 -22.488 -14.032 ATOM 978 3HA GLY 63 61.933 -24.098 -13.490 ATOM 979 C GLY 63 60.677 -24.054 -15.197 ATOM 980 O GLY 63 59.839 -23.462 -15.877 ATOM 981 N ARG 64 61.225 -25.207 -15.566 ATOM 982 H ARG 64 61.907 -25.644 -14.962 ATOM 983 CA ARG 64 60.866 -25.856 -16.821 ATOM 984 HA ARG 64 60.201 -25.213 -17.359 ATOM 985 CB ARG 64 62.114 -26.090 -17.675 ATOM 986 2HB ARG 64 61.802 -26.370 -18.663 ATOM 987 3HB ARG 64 62.670 -25.173 -17.722 ATOM 988 CG ARG 64 63.027 -27.178 -17.133 ATOM 989 2HG ARG 64 63.431 -26.858 -16.192 ATOM 990 3HG ARG 64 62.455 -28.074 -16.990 ATOM 991 CD ARG 64 64.173 -27.470 -18.089 ATOM 992 2HD ARG 64 64.816 -26.612 -18.132 ATOM 993 3HD ARG 64 64.726 -28.313 -17.720 ATOM 994 NE ARG 64 63.698 -27.771 -19.437 ATOM 995 HE ARG 64 62.702 -27.839 -19.588 ATOM 996 CZ ARG 64 64.504 -27.960 -20.475 ATOM 997 NH1 ARG 64 65.819 -27.882 -20.321 ATOM 998 1HH1 ARG 64 66.210 -27.678 -19.412 ATOM 999 2HH1 ARG 64 66.430 -28.027 -21.112 ATOM 1000 NH2 ARG 64 63.996 -28.230 -21.671 ATOM 1001 1HH2 ARG 64 62.995 -28.291 -21.793 ATOM 1002 2HH2 ARG 64 64.610 -28.374 -22.460 ATOM 1003 C ARG 64 60.157 -27.183 -16.564 ATOM 1004 O ARG 64 60.165 -28.077 -17.410 ATOM 1005 N TYR 65 59.545 -27.303 -15.391 ATOM 1006 H TYR 65 59.574 -26.532 -14.739 ATOM 1007 CA TYR 65 58.833 -28.520 -15.021 ATOM 1008 HA TYR 65 58.709 -29.121 -15.897 ATOM 1009 CB TYR 65 59.642 -29.316 -13.995 ATOM 1010 2HB TYR 65 59.559 -28.826 -13.044 ATOM 1011 3HB TYR 65 59.226 -30.303 -13.926 ATOM 1012 CG TYR 65 61.108 -29.439 -14.343 ATOM 1013 CD1 TYR 65 61.546 -30.380 -15.268 ATOM 1014 HD1 TYR 65 60.825 -31.033 -15.746 ATOM 1015 CE1 TYR 65 62.885 -30.496 -15.588 ATOM 1016 HE1 TYR 65 63.210 -31.236 -16.310 ATOM 1017 CZ TYR 65 63.806 -29.666 -14.984 ATOM 1018 OH TYR 65 65.140 -29.779 -15.300 ATOM 1019 HH TYR 65 65.644 -29.135 -14.797 ATOM 1020 CE2 TYR 65 63.396 -28.725 -14.063 ATOM 1021 HE2 TYR 65 64.122 -28.074 -13.589 ATOM 1022 CD2 TYR 65 62.056 -28.616 -13.747 ATOM 1023 HD2 TYR 65 61.738 -27.876 -13.022 ATOM 1024 C TYR 65 57.454 -28.195 -14.457 ATOM 1025 O TYR 65 57.198 -27.074 -14.016 ATOM 1026 N THR 66 56.567 -29.185 -14.473 ATOM 1027 H THR 66 56.838 -30.083 -14.847 ATOM 1028 CA THR 66 55.213 -29.007 -13.964 ATOM 1029 HA THR 66 54.942 -27.978 -14.079 ATOM 1030 CB THR 66 54.201 -29.867 -14.745 ATOM 1031 HB THR 66 53.211 -29.551 -14.489 ATOM 1032 CG2 THR 66 54.395 -29.702 -16.245 ATOM 1033 1HG2 THR 66 54.250 -28.646 -16.520 ATOM 1034 2HG2 THR 66 55.414 -30.016 -16.520 ATOM 1035 3HG2 THR 66 53.662 -30.325 -16.781 ATOM 1036 OG1 THR 66 54.351 -31.245 -14.388 ATOM 1037 1HG THR 66 53.717 -31.773 -14.879 ATOM 1038 C THR 66 55.130 -29.364 -12.484 ATOM 1039 O THR 66 56.140 -29.677 -11.855 ATOM 1040 N ALA 67 53.921 -29.315 -11.935 ATOM 1041 H ALA 67 53.131 -29.049 -12.506 ATOM 1042 CA ALA 67 53.706 -29.636 -10.530 ATOM 1043 HA ALA 67 54.221 -28.910 -9.937 ATOM 1044 CB ALA 67 52.224 -29.565 -10.192 ATOM 1045 1HB ALA 67 51.851 -28.548 -10.389 ATOM 1046 2HB ALA 67 51.671 -30.286 -10.814 ATOM 1047 3HB ALA 67 52.078 -29.810 -9.129 ATOM 1048 C ALA 67 54.263 -31.014 -10.191 ATOM 1049 O ALA 67 54.631 -31.281 -9.047 ATOM 1050 N ASP 68 54.320 -31.886 -11.191 ATOM 1051 H ASP 68 54.001 -31.606 -12.108 ATOM 1052 CA ASP 68 54.832 -33.238 -10.998 ATOM 1053 HA ASP 68 54.569 -33.564 -10.014 ATOM 1054 CB ASP 68 54.202 -34.194 -12.012 ATOM 1055 2HB ASP 68 53.305 -33.747 -12.395 ATOM 1056 3HB ASP 68 54.896 -34.349 -12.816 ATOM 1057 CG ASP 68 53.854 -35.538 -11.403 ATOM 1058 OD1 ASP 68 53.355 -35.560 -10.258 ATOM 1059 OD2 ASP 68 54.082 -36.569 -12.071 ATOM 1060 C ASP 68 56.351 -33.268 -11.129 ATOM 1061 O ASP 68 57.030 -34.015 -10.426 ATOM 1062 N GLY 69 56.879 -32.449 -12.034 ATOM 1063 H GLY 69 56.274 -31.856 -12.584 ATOM 1064 CA GLY 69 58.314 -32.398 -12.241 ATOM 1065 2HA GLY 69 58.636 -31.377 -12.170 ATOM 1066 3HA GLY 69 58.793 -32.978 -11.475 ATOM 1067 C GLY 69 58.725 -32.945 -13.594 ATOM 1068 O GLY 69 59.847 -33.422 -13.765 ATOM 1069 N LYS 70 57.813 -32.878 -14.559 ATOM 1070 H LYS 70 56.909 -32.476 -14.355 ATOM 1071 CA LYS 70 58.085 -33.371 -15.904 ATOM 1072 HA LYS 70 58.923 -34.035 -15.861 ATOM 1073 CB LYS 70 56.877 -34.143 -16.440 ATOM 1074 2HB LYS 70 56.768 -35.043 -15.866 ATOM 1075 3HB LYS 70 56.003 -33.533 -16.318 ATOM 1076 CG LYS 70 56.999 -34.520 -17.906 ATOM 1077 2HG LYS 70 56.091 -34.998 -18.220 ATOM 1078 3HG LYS 70 57.151 -33.629 -18.483 ATOM 1079 CD LYS 70 58.163 -35.467 -18.144 ATOM 1080 2HD LYS 70 58.715 -35.132 -19.001 ATOM 1081 3HD LYS 70 58.801 -35.459 -17.282 ATOM 1082 CE LYS 70 57.683 -36.890 -18.390 ATOM 1083 2HE LYS 70 57.547 -37.379 -17.444 ATOM 1084 3HE LYS 70 56.746 -36.855 -18.912 ATOM 1085 NZ LYS 70 58.657 -37.672 -19.200 ATOM 1086 1HZ LYS 70 58.788 -37.221 -20.099 ATOM 1087 2HZ LYS 70 59.544 -37.716 -18.711 ATOM 1088 3HZ LYS 70 58.302 -38.611 -19.341 ATOM 1089 C LYS 70 58.425 -32.221 -16.846 ATOM 1090 O LYS 70 57.900 -31.117 -16.707 ATOM 1091 N GLU 71 59.306 -32.488 -17.805 ATOM 1092 H GLU 71 59.702 -33.415 -17.867 ATOM 1093 CA GLU 71 59.715 -31.474 -18.770 ATOM 1094 HA GLU 71 60.269 -30.717 -18.255 ATOM 1095 CB GLU 71 60.615 -32.092 -19.842 ATOM 1096 2HB GLU 71 60.726 -33.138 -19.630 ATOM 1097 3HB GLU 71 60.140 -31.969 -20.796 ATOM 1098 CG GLU 71 61.998 -31.466 -19.909 ATOM 1099 2HG GLU 71 61.896 -30.438 -20.199 ATOM 1100 3HG GLU 71 62.447 -31.520 -18.936 ATOM 1101 CD GLU 71 62.907 -32.164 -20.904 ATOM 1102 OE1 GLU 71 64.057 -32.481 -20.534 ATOM 1103 OE2 GLU 71 62.468 -32.392 -22.050 ATOM 1104 C GLU 71 58.499 -30.825 -19.425 ATOM 1105 O GLU 71 57.823 -31.438 -20.251 ATOM 1106 N VAL 72 58.227 -29.579 -19.050 ATOM 1107 H VAL 72 58.820 -29.129 -18.367 ATOM 1108 CA VAL 72 57.093 -28.845 -19.600 ATOM 1109 HA VAL 72 56.212 -29.439 -19.472 ATOM 1110 CB VAL 72 56.886 -27.505 -18.871 ATOM 1111 HB VAL 72 56.712 -27.710 -17.835 ATOM 1112 CG1 VAL 72 58.130 -26.637 -18.983 ATOM 1113 1HG1 VAL 72 58.985 -27.161 -18.530 ATOM 1114 2HG1 VAL 72 58.343 -26.436 -20.044 ATOM 1115 3HG1 VAL 72 57.962 -25.685 -18.456 ATOM 1116 CG2 VAL 72 55.669 -26.780 -19.425 ATOM 1117 1HG2 VAL 72 55.816 -26.584 -20.499 ATOM 1118 2HG2 VAL 72 54.774 -27.406 -19.285 ATOM 1119 3HG2 VAL 72 55.537 -25.825 -18.893 ATOM 1120 C VAL 72 57.282 -28.578 -21.089 ATOM 1121 O VAL 72 56.324 -28.604 -21.862 ATOM 1122 N LEU 73 58.524 -28.321 -21.485 ATOM 1123 H LEU 73 59.267 -28.314 -20.801 ATOM 1124 CA LEU 73 58.840 -28.049 -22.883 ATOM 1125 HA LEU 73 58.258 -27.212 -23.207 ATOM 1126 CB LEU 73 60.321 -27.699 -23.032 ATOM 1127 2HB LEU 73 60.860 -28.221 -22.265 ATOM 1128 3HB LEU 73 60.644 -28.044 -23.995 ATOM 1129 CG LEU 73 60.674 -26.215 -22.924 ATOM 1130 HG LEU 73 60.261 -25.836 -22.013 ATOM 1131 CD1 LEU 73 62.183 -26.026 -22.882 ATOM 1132 1HD1 LEU 73 62.595 -26.555 -22.009 ATOM 1133 2HD1 LEU 73 62.630 -26.433 -23.802 ATOM 1134 3HD1 LEU 73 62.416 -24.953 -22.804 ATOM 1135 CD2 LEU 73 60.070 -25.437 -24.084 ATOM 1136 1HD2 LEU 73 60.464 -25.830 -25.034 ATOM 1137 2HD2 LEU 73 58.975 -25.546 -24.068 ATOM 1138 3HD2 LEU 73 60.334 -24.372 -23.989 ATOM 1139 C LEU 73 58.498 -29.248 -23.762 ATOM 1140 O LEU 73 57.849 -29.105 -24.798 ATOM 1141 N GLU 74 58.937 -30.429 -23.339 ATOM 1142 H GLU 74 59.464 -30.480 -22.479 ATOM 1143 CA GLU 74 58.676 -31.653 -24.088 ATOM 1144 HA GLU 74 58.864 -31.464 -25.124 ATOM 1145 CB GLU 74 59.608 -32.772 -23.620 ATOM 1146 2HB GLU 74 60.607 -32.535 -23.933 ATOM 1147 3HB GLU 74 59.571 -32.819 -22.549 ATOM 1148 CG GLU 74 59.243 -34.140 -24.174 ATOM 1149 2HG GLU 74 58.354 -34.484 -23.682 ATOM 1150 3HG GLU 74 59.055 -34.046 -25.226 ATOM 1151 CD GLU 74 60.341 -35.165 -23.966 ATOM 1152 OE1 GLU 74 60.664 -35.891 -24.930 ATOM 1153 OE2 GLU 74 60.876 -35.242 -22.841 ATOM 1154 C GLU 74 57.222 -32.088 -23.930 ATOM 1155 O GLU 74 56.585 -32.523 -24.889 ATOM 1156 N TYR 75 56.704 -31.967 -22.713 ATOM 1157 H TYR 75 57.278 -31.601 -21.967 ATOM 1158 CA TYR 75 55.326 -32.350 -22.427 ATOM 1159 HA TYR 75 55.229 -33.406 -22.573 ATOM 1160 CB TYR 75 54.976 -32.025 -20.974 ATOM 1161 2HB TYR 75 55.539 -32.678 -20.335 ATOM 1162 3HB TYR 75 55.253 -31.007 -20.778 ATOM 1163 CG TYR 75 53.507 -32.192 -20.653 ATOM 1164 CD1 TYR 75 52.795 -33.289 -21.121 ATOM 1165 HD1 TYR 75 53.301 -34.035 -21.723 ATOM 1166 CE1 TYR 75 51.453 -33.446 -20.832 ATOM 1167 HE1 TYR 75 50.912 -34.308 -21.206 ATOM 1168 CZ TYR 75 50.806 -32.499 -20.065 ATOM 1169 OH TYR 75 49.470 -32.651 -19.773 ATOM 1170 HH TYR 75 49.174 -31.913 -19.235 ATOM 1171 CE2 TYR 75 51.492 -31.401 -19.588 ATOM 1172 HE2 TYR 75 50.981 -30.659 -18.984 ATOM 1173 CD2 TYR 75 52.833 -31.252 -19.884 ATOM 1174 HD2 TYR 75 53.368 -30.387 -19.510 ATOM 1175 C TYR 75 54.357 -31.639 -23.367 ATOM 1176 O TYR 75 53.594 -32.279 -24.091 ATOM 1177 N LEU 76 54.394 -30.311 -23.350 ATOM 1178 H LEU 76 55.043 -29.844 -22.733 ATOM 1179 CA LEU 76 53.520 -29.511 -24.201 ATOM 1180 HA LEU 76 52.546 -29.954 -24.201 ATOM 1181 CB LEU 76 53.408 -28.087 -23.654 ATOM 1182 2HB LEU 76 54.292 -27.553 -23.946 ATOM 1183 3HB LEU 76 52.549 -27.629 -24.105 ATOM 1184 CG LEU 76 53.264 -27.960 -22.137 ATOM 1185 HG LEU 76 54.030 -28.547 -21.675 ATOM 1186 CD1 LEU 76 53.442 -26.513 -21.703 ATOM 1187 1HD1 LEU 76 54.443 -26.162 -21.997 ATOM 1188 2HD1 LEU 76 52.677 -25.888 -22.188 ATOM 1189 3HD1 LEU 76 53.335 -26.442 -20.610 ATOM 1190 CD2 LEU 76 51.912 -28.492 -21.683 ATOM 1191 1HD2 LEU 76 51.109 -27.915 -22.168 ATOM 1192 2HD2 LEU 76 51.822 -29.553 -21.963 ATOM 1193 3HD2 LEU 76 51.827 -28.392 -20.590 ATOM 1194 C LEU 76 54.038 -29.478 -25.635 ATOM 1195 O LEU 76 53.264 -29.341 -26.582 ATOM 1196 N GLY 77 55.352 -29.606 -25.787 ATOM 1197 H GLY 77 55.940 -29.716 -24.973 ATOM 1198 CA GLY 77 55.951 -29.590 -27.109 ATOM 1199 2HA GLY 77 55.587 -28.733 -27.642 ATOM 1200 3HA GLY 77 57.016 -29.519 -27.003 ATOM 1201 C GLY 77 55.623 -30.835 -27.909 ATOM 1202 O GLY 77 55.909 -30.907 -29.104 ATOM 1203 N ASN 78 55.021 -31.819 -27.249 ATOM 1204 H ASN 78 54.811 -31.698 -26.268 ATOM 1205 CA ASN 78 54.656 -33.069 -27.906 ATOM 1206 HA ASN 78 55.469 -33.376 -28.530 ATOM 1207 CB ASN 78 54.401 -34.161 -26.866 ATOM 1208 2HB ASN 78 54.436 -33.721 -25.888 ATOM 1209 3HB ASN 78 53.427 -34.578 -27.036 ATOM 1210 CG ASN 78 55.426 -35.276 -26.935 ATOM 1211 OD1 ASN 78 56.538 -35.083 -27.426 ATOM 1212 ND2 ASN 78 55.054 -36.453 -26.443 ATOM 1213 1HD2 ASN 78 55.695 -37.234 -26.462 ATOM 1214 2HD2 ASN 78 54.131 -36.567 -26.050 ATOM 1215 C ASN 78 53.418 -32.883 -28.779 ATOM 1216 O ASN 78 52.610 -31.977 -28.569 ATOM 1217 N PRO 79 53.263 -33.760 -29.781 ATOM 1218 CD PRO 79 54.186 -34.865 -30.090 ATOM 1219 2HD PRO 79 54.404 -35.440 -29.211 ATOM 1220 3HD PRO 79 55.101 -34.495 -30.511 ATOM 1221 CG PRO 79 53.425 -35.685 -31.095 ATOM 1222 2HG PRO 79 52.869 -36.459 -30.601 ATOM 1223 3HG PRO 79 54.099 -36.126 -31.804 ATOM 1224 CB PRO 79 52.500 -34.739 -31.779 ATOM 1225 2HB PRO 79 51.627 -35.253 -32.133 ATOM 1226 3HB PRO 79 52.991 -34.259 -32.604 ATOM 1227 CA PRO 79 52.125 -33.715 -30.705 ATOM 1228 HA PRO 79 52.040 -32.740 -31.138 ATOM 1229 C PRO 79 50.815 -34.105 -30.030 ATOM 1230 O PRO 79 49.802 -33.423 -30.179 ATOM 1231 N ALA 80 50.842 -35.207 -29.288 ATOM 1232 H ALA 80 51.705 -35.725 -29.207 ATOM 1233 CA ALA 80 49.657 -35.687 -28.588 ATOM 1234 HA ALA 80 48.929 -35.975 -29.318 ATOM 1235 CB ALA 80 49.998 -36.907 -27.746 ATOM 1236 1HB ALA 80 50.379 -37.708 -28.398 ATOM 1237 2HB ALA 80 50.768 -36.639 -27.006 ATOM 1238 3HB ALA 80 49.094 -37.257 -27.224 ATOM 1239 C ALA 80 49.054 -34.591 -27.716 ATOM 1240 O ALA 80 47.841 -34.542 -27.515 ATOM 1241 N ASN 81 49.909 -33.715 -27.198 ATOM 1242 H ASN 81 50.894 -33.810 -27.399 ATOM 1243 CA ASN 81 49.460 -32.620 -26.346 ATOM 1244 HA ASN 81 48.434 -32.786 -26.091 ATOM 1245 CB ASN 81 50.282 -32.581 -25.056 ATOM 1246 2HB ASN 81 51.182 -32.026 -25.238 ATOM 1247 3HB ASN 81 49.706 -32.089 -24.296 ATOM 1248 CG ASN 81 50.655 -33.966 -24.565 ATOM 1249 OD1 ASN 81 49.822 -34.687 -24.015 ATOM 1250 ND2 ASN 81 51.912 -34.345 -24.762 ATOM 1251 1HD2 ASN 81 52.218 -35.258 -24.456 ATOM 1252 2HD2 ASN 81 52.562 -33.721 -25.218 ATOM 1253 C ASN 81 49.569 -31.284 -27.073 ATOM 1254 O ASN 81 50.372 -30.427 -26.703 ATOM 1255 N TYR 82 48.756 -31.113 -28.110 ATOM 1256 H TYR 82 48.118 -31.854 -28.363 ATOM 1257 CA TYR 82 48.762 -29.882 -28.891 ATOM 1258 HA TYR 82 49.771 -29.663 -29.174 ATOM 1259 CB TYR 82 47.927 -30.054 -30.161 ATOM 1260 2HB TYR 82 47.252 -30.875 -30.014 ATOM 1261 3HB TYR 82 47.366 -29.154 -30.323 ATOM 1262 CG TYR 82 48.754 -30.330 -31.396 ATOM 1263 CD1 TYR 82 48.656 -31.544 -32.065 ATOM 1264 HD1 TYR 82 47.976 -32.303 -31.695 ATOM 1265 CE1 TYR 82 49.410 -31.800 -33.194 ATOM 1266 HE1 TYR 82 49.321 -32.752 -33.704 ATOM 1267 CZ TYR 82 50.276 -30.838 -33.669 ATOM 1268 OH TYR 82 51.030 -31.089 -34.793 ATOM 1269 HH TYR 82 51.576 -30.324 -34.989 ATOM 1270 CE2 TYR 82 50.392 -29.625 -33.022 ATOM 1271 HE2 TYR 82 51.073 -28.870 -33.397 ATOM 1272 CD2 TYR 82 49.635 -29.378 -31.893 ATOM 1273 HD2 TYR 82 49.730 -28.425 -31.386 ATOM 1274 C TYR 82 48.224 -28.713 -28.070 ATOM 1275 O TYR 82 48.913 -27.722 -27.827 ATOM 1276 N PRO 83 46.962 -28.831 -27.632 ATOM 1277 CD PRO 83 46.082 -29.985 -27.883 ATOM 1278 2HD PRO 83 46.577 -30.905 -27.640 ATOM 1279 3HD PRO 83 45.764 -30.010 -28.908 ATOM 1280 CG PRO 83 44.917 -29.742 -26.964 ATOM 1281 2HG PRO 83 45.075 -30.233 -26.023 ATOM 1282 3HG PRO 83 44.010 -30.104 -27.408 ATOM 1283 CB PRO 83 44.847 -28.266 -26.772 ATOM 1284 2HB PRO 83 44.410 -28.029 -25.821 ATOM 1285 3HB PRO 83 44.271 -27.810 -27.554 ATOM 1286 CA PRO 83 46.302 -27.796 -26.830 ATOM 1287 HA PRO 83 46.364 -26.850 -27.326 ATOM 1288 C PRO 83 46.885 -27.691 -25.425 ATOM 1289 O PRO 83 46.840 -28.648 -24.651 ATOM 1290 N VAL 84 47.431 -26.524 -25.101 ATOM 1291 H VAL 84 47.437 -25.778 -25.781 ATOM 1292 CA VAL 84 48.021 -26.294 -23.788 ATOM 1293 HA VAL 84 47.501 -26.897 -23.074 ATOM 1294 CB VAL 84 49.510 -26.688 -23.765 ATOM 1295 HB VAL 84 49.914 -26.418 -22.812 ATOM 1296 CG1 VAL 84 49.667 -28.191 -23.942 ATOM 1297 1HG1 VAL 84 49.146 -28.713 -23.124 ATOM 1298 2HG1 VAL 84 49.232 -28.494 -24.907 ATOM 1299 3HG1 VAL 84 50.736 -28.453 -23.923 ATOM 1300 CG2 VAL 84 50.277 -25.933 -24.839 ATOM 1301 1HG2 VAL 84 49.858 -26.175 -25.828 ATOM 1302 2HG2 VAL 84 50.191 -24.850 -24.659 ATOM 1303 3HG2 VAL 84 51.338 -26.227 -24.808 ATOM 1304 C VAL 84 47.887 -24.833 -23.373 ATOM 1305 O VAL 84 48.202 -23.927 -24.145 ATOM 1306 N SER 85 47.418 -24.611 -22.150 ATOM 1307 H SER 85 47.179 -25.398 -21.564 ATOM 1308 CA SER 85 47.239 -23.260 -21.633 ATOM 1309 HA SER 85 47.212 -22.580 -22.459 ATOM 1310 CB SER 85 45.916 -23.153 -20.871 ATOM 1311 2HB SER 85 45.139 -23.611 -21.452 ATOM 1312 3HB SER 85 46.010 -23.665 -19.933 ATOM 1313 OG SER 85 45.575 -21.800 -20.628 ATOM 1314 HG SER 85 44.743 -21.760 -20.150 ATOM 1315 C SER 85 48.397 -22.869 -20.721 ATOM 1316 O SER 85 48.825 -23.652 -19.872 ATOM 1317 N ILE 86 48.901 -21.653 -20.902 ATOM 1318 H ILE 86 48.506 -21.058 -21.616 ATOM 1319 CA ILE 86 50.009 -21.157 -20.096 ATOM 1320 HA ILE 86 50.252 -21.898 -19.364 ATOM 1321 CB ILE 86 51.259 -20.896 -20.956 ATOM 1322 HB ILE 86 51.078 -20.035 -21.566 ATOM 1323 CG2 ILE 86 52.463 -20.615 -20.070 ATOM 1324 1HG2 ILE 86 52.263 -19.728 -19.450 ATOM 1325 2HG2 ILE 86 52.650 -21.483 -19.419 ATOM 1326 3HG2 ILE 86 53.347 -20.431 -20.700 ATOM 1327 CG1 ILE 86 51.533 -22.091 -21.872 ATOM 1328 2HG1 ILE 86 51.692 -22.958 -21.260 ATOM 1329 3HG1 ILE 86 50.673 -22.246 -22.494 ATOM 1330 CD1 ILE 86 52.741 -21.906 -22.763 ATOM 1331 1HD1 ILE 86 52.591 -21.026 -23.407 ATOM 1332 2HD1 ILE 86 53.637 -21.757 -22.140 ATOM 1333 3HD1 ILE 86 52.875 -22.801 -23.390 ATOM 1334 C ILE 86 49.628 -19.871 -19.370 ATOM 1335 O ILE 86 49.031 -18.968 -19.956 ATOM 1336 N ARG 87 49.980 -19.794 -18.090 ATOM 1337 H ARG 87 50.470 -20.569 -17.666 ATOM 1338 CA ARG 87 49.676 -18.618 -17.284 ATOM 1339 HA ARG 87 49.172 -17.903 -17.901 ATOM 1340 CB ARG 87 48.755 -18.994 -16.122 ATOM 1341 2HB ARG 87 49.338 -19.501 -15.377 ATOM 1342 3HB ARG 87 48.349 -18.092 -15.705 ATOM 1343 CG ARG 87 47.602 -19.898 -16.527 ATOM 1344 2HG ARG 87 47.237 -19.589 -17.488 ATOM 1345 3HG ARG 87 47.956 -20.909 -16.587 ATOM 1346 CD ARG 87 46.463 -19.832 -15.521 ATOM 1347 2HD ARG 87 46.876 -19.751 -14.534 ATOM 1348 3HD ARG 87 45.865 -18.966 -15.730 ATOM 1349 NE ARG 87 45.612 -21.018 -15.580 ATOM 1350 HE ARG 87 45.649 -21.671 -14.810 ATOM 1351 CZ ARG 87 44.793 -21.285 -16.590 ATOM 1352 NH1 ARG 87 44.714 -20.456 -17.622 ATOM 1353 1HH1 ARG 87 45.278 -19.618 -17.641 ATOM 1354 2HH1 ARG 87 44.090 -20.662 -18.389 ATOM 1355 NH2 ARG 87 44.050 -22.385 -16.571 ATOM 1356 1HH2 ARG 87 44.107 -23.020 -15.787 ATOM 1357 2HH2 ARG 87 43.428 -22.587 -17.340 ATOM 1358 C ARG 87 50.955 -17.981 -16.748 ATOM 1359 O ARG 87 51.443 -18.348 -15.679 ATOM 1360 N PHE 88 51.493 -17.025 -17.498 ATOM 1361 H PHE 88 51.044 -16.768 -18.365 ATOM 1362 CA PHE 88 52.716 -16.338 -17.099 ATOM 1363 HA PHE 88 53.156 -16.872 -16.283 ATOM 1364 CB PHE 88 53.713 -16.312 -18.259 ATOM 1365 2HB PHE 88 54.531 -15.673 -17.989 ATOM 1366 3HB PHE 88 54.076 -17.309 -18.417 ATOM 1367 CG PHE 88 53.123 -15.811 -19.546 ATOM 1368 CD1 PHE 88 52.922 -16.671 -20.613 ATOM 1369 HD1 PHE 88 53.194 -17.716 -20.517 ATOM 1370 CE1 PHE 88 52.379 -16.213 -21.799 ATOM 1371 HE1 PHE 88 52.227 -16.897 -22.626 ATOM 1372 CZ PHE 88 52.031 -14.883 -21.929 ATOM 1373 HZ PHE 88 51.606 -14.521 -22.858 ATOM 1374 CE2 PHE 88 52.226 -14.015 -20.872 ATOM 1375 HE2 PHE 88 51.952 -12.971 -20.971 ATOM 1376 CD2 PHE 88 52.770 -14.478 -19.689 ATOM 1377 HD2 PHE 88 52.922 -13.792 -18.864 ATOM 1378 C PHE 88 52.415 -14.914 -16.641 ATOM 1379 O PHE 88 51.292 -14.429 -16.780 ATOM 1380 N GLY 89 53.427 -14.248 -16.093 ATOM 1381 H GLY 89 54.328 -14.695 -16.004 ATOM 1382 CA GLY 89 53.251 -12.887 -15.622 ATOM 1383 2HA GLY 89 52.620 -12.362 -16.313 ATOM 1384 3HA GLY 89 52.781 -12.914 -14.658 ATOM 1385 C GLY 89 54.565 -12.141 -15.501 ATOM 1386 O GLY 89 55.555 -12.506 -16.137 ATOM 1387 N ARG 90 54.576 -11.092 -14.685 ATOM 1388 H ARG 90 53.731 -10.844 -14.191 ATOM 1389 CA ARG 90 55.777 -10.291 -14.486 ATOM 1390 HA ARG 90 56.564 -10.703 -15.083 ATOM 1391 CB ARG 90 55.533 -8.847 -14.931 ATOM 1392 2HB ARG 90 55.233 -8.856 -15.961 ATOM 1393 3HB ARG 90 54.743 -8.436 -14.332 ATOM 1394 CG ARG 90 56.755 -7.953 -14.794 ATOM 1395 2HG ARG 90 56.432 -6.948 -14.600 ATOM 1396 3HG ARG 90 57.352 -8.301 -13.973 ATOM 1397 CD ARG 90 57.599 -7.966 -16.059 ATOM 1398 2HD ARG 90 58.636 -7.981 -15.783 ATOM 1399 3HD ARG 90 57.366 -8.849 -16.622 ATOM 1400 NE ARG 90 57.350 -6.795 -16.895 ATOM 1401 HE ARG 90 56.728 -6.895 -17.684 ATOM 1402 CZ ARG 90 57.897 -5.605 -16.674 ATOM 1403 NH1 ARG 90 58.719 -5.429 -15.648 ATOM 1404 1HH1 ARG 90 58.931 -6.201 -15.032 ATOM 1405 2HH1 ARG 90 59.133 -4.523 -15.482 ATOM 1406 NH2 ARG 90 57.622 -4.587 -17.480 ATOM 1407 1HH2 ARG 90 56.996 -4.717 -18.262 ATOM 1408 2HH2 ARG 90 58.038 -3.682 -17.311 ATOM 1409 C ARG 90 56.212 -10.317 -13.023 ATOM 1410 O ARG 90 56.109 -9.325 -12.302 ATOM 1411 N PRO 91 56.709 -11.479 -12.575 ATOM 1412 CD PRO 91 56.861 -12.703 -13.379 ATOM 1413 2HD PRO 91 57.361 -12.494 -14.305 ATOM 1414 3HD PRO 91 55.907 -13.151 -13.581 ATOM 1415 CG PRO 91 57.699 -13.593 -12.504 ATOM 1416 2HG PRO 91 58.740 -13.467 -12.733 ATOM 1417 3HG PRO 91 57.424 -14.620 -12.645 ATOM 1418 CB PRO 91 57.422 -13.170 -11.103 ATOM 1419 2HB PRO 91 58.266 -13.374 -10.472 ATOM 1420 3HB PRO 91 56.557 -13.676 -10.719 ATOM 1421 CA PRO 91 57.169 -11.663 -11.195 ATOM 1422 HA PRO 91 56.400 -11.376 -10.509 ATOM 1423 C PRO 91 58.450 -10.889 -10.903 ATOM 1424 O PRO 91 58.897 -10.080 -11.716 ATOM 1425 N ARG 92 59.037 -11.143 -9.738 ATOM 1426 H ARG 92 58.621 -11.819 -9.114 ATOM 1427 CA ARG 92 60.267 -10.469 -9.339 ATOM 1428 HA ARG 92 60.849 -10.275 -10.216 ATOM 1429 CB ARG 92 59.946 -9.135 -8.663 ATOM 1430 2HB ARG 92 59.087 -8.709 -9.144 ATOM 1431 3HB ARG 92 59.721 -9.323 -7.631 ATOM 1432 CG ARG 92 61.084 -8.129 -8.731 ATOM 1433 2HG ARG 92 60.861 -7.305 -8.081 ATOM 1434 3HG ARG 92 61.990 -8.605 -8.408 ATOM 1435 CD ARG 92 61.279 -7.604 -10.144 ATOM 1436 2HD ARG 92 62.331 -7.529 -10.344 ATOM 1437 3HD ARG 92 60.832 -8.293 -10.834 ATOM 1438 NE ARG 92 60.669 -6.289 -10.328 ATOM 1439 HE ARG 92 60.267 -5.832 -9.522 ATOM 1440 CZ ARG 92 60.615 -5.662 -11.498 ATOM 1441 NH1 ARG 92 61.130 -6.226 -12.581 ATOM 1442 1HH1 ARG 92 61.566 -7.135 -12.518 ATOM 1443 2HH1 ARG 92 61.087 -5.747 -13.469 ATOM 1444 NH2 ARG 92 60.043 -4.467 -11.585 ATOM 1445 1HH2 ARG 92 59.649 -4.034 -10.762 ATOM 1446 2HH2 ARG 92 60.002 -3.990 -12.475 ATOM 1447 C ARG 92 61.086 -11.346 -8.396 ATOM 1448 O ARG 92 61.753 -10.847 -7.489 ATOM 1449 N LEU 93 61.030 -12.655 -8.616 ATOM 1450 H LEU 93 60.464 -13.003 -9.377 ATOM 1451 CA LEU 93 61.766 -13.602 -7.785 ATOM 1452 HA LEU 93 61.754 -13.250 -6.775 ATOM 1453 CB LEU 93 61.097 -14.977 -7.830 ATOM 1454 2HB LEU 93 60.870 -15.198 -8.855 ATOM 1455 3HB LEU 93 61.800 -15.696 -7.456 ATOM 1456 CG LEU 93 59.806 -15.122 -7.024 ATOM 1457 HG LEU 93 59.104 -14.397 -7.379 ATOM 1458 CD1 LEU 93 59.206 -16.506 -7.219 ATOM 1459 1HD1 LEU 93 58.980 -16.661 -8.285 ATOM 1460 2HD1 LEU 93 59.925 -17.269 -6.881 ATOM 1461 3HD1 LEU 93 58.279 -16.590 -6.631 ATOM 1462 CD2 LEU 93 60.066 -14.855 -5.548 ATOM 1463 1HD2 LEU 93 60.807 -15.576 -5.170 ATOM 1464 2HD2 LEU 93 60.453 -13.832 -5.423 ATOM 1465 3HD2 LEU 93 59.127 -14.964 -4.984 ATOM 1466 C LEU 93 63.216 -13.715 -8.243 ATOM 1467 O LEU 93 64.109 -14.014 -7.449 ATOM 1468 N THR 94 63.446 -13.472 -9.530 ATOM 1469 H THR 94 62.671 -13.231 -10.132 ATOM 1470 CA THR 94 64.788 -13.545 -10.094 ATOM 1471 HA THR 94 65.111 -14.565 -10.066 ATOM 1472 CB THR 94 64.809 -13.068 -11.559 ATOM 1473 HB THR 94 64.771 -11.999 -11.574 ATOM 1474 CG2 THR 94 66.081 -13.522 -12.257 ATOM 1475 1HG2 THR 94 66.955 -13.103 -11.735 ATOM 1476 2HG2 THR 94 66.136 -14.622 -12.241 ATOM 1477 3HG2 THR 94 66.073 -13.170 -13.300 ATOM 1478 OG1 THR 94 63.667 -13.579 -12.256 ATOM 1479 1HG THR 94 63.687 -13.278 -13.167 ATOM 1480 C THR 94 65.771 -12.707 -9.285 ATOM 1481 O THR 94 65.509 -11.541 -8.987 ATOM 1482 N SER 95 66.903 -13.307 -8.932 ATOM 1483 H SER 95 67.060 -14.266 -9.209 ATOM 1484 CA SER 95 67.925 -12.615 -8.154 ATOM 1485 HA SER 95 67.891 -11.574 -8.397 ATOM 1486 CB SER 95 67.651 -12.775 -6.658 ATOM 1487 2HB SER 95 67.644 -13.820 -6.413 ATOM 1488 3HB SER 95 68.428 -12.284 -6.105 ATOM 1489 OG SER 95 66.402 -12.208 -6.304 ATOM 1490 HG SER 95 66.254 -12.321 -5.362 ATOM 1491 C SER 95 69.315 -13.147 -8.488 ATOM 1492 O SER 95 69.778 -14.120 -7.894 ATOM 1493 N ASN 96 69.975 -12.502 -9.444 ATOM 1494 H ASN 96 69.540 -11.710 -9.894 ATOM 1495 CA ASN 96 71.312 -12.910 -9.859 ATOM 1496 HA ASN 96 71.654 -13.678 -9.197 ATOM 1497 CB ASN 96 71.279 -13.472 -11.282 ATOM 1498 2HB ASN 96 70.340 -13.968 -11.435 ATOM 1499 3HB ASN 96 71.371 -12.659 -11.976 ATOM 1500 CG ASN 96 72.399 -14.461 -11.539 ATOM 1501 OD1 ASN 96 73.493 -14.081 -11.957 ATOM 1502 ND2 ASN 96 72.130 -15.737 -11.291 ATOM 1503 1HD2 ASN 96 72.838 -16.441 -11.444 ATOM 1504 2HD2 ASN 96 71.218 -16.004 -10.949 ATOM 1505 C ASN 96 72.286 -11.737 -9.787 ATOM 1506 O ASN 96 73.225 -11.745 -8.992 ATOM 1507 OXT ASN 96 72.149 -10.766 -10.528 TER END standard_anneal0000744000372100000240000000230310452206602012701 0ustar fenggames#! /bin/sh -f cat << eof > anneal1 MD annealing protocol for NAP # # &cntrl nstlim=30000, pencut=0.3, nmropt=1, ntpr=100, ntt=1, cut=8.0, ntc=1, vlimit=20., scee=2.0, igb=3, ntb=0, ntr=0, &end # # Simulated annealing protocol 30ps # Non-bonded terms negligible for first 15ps then expanded to normal # &wt type='TEMP0', istep1=0, istep2=8000, value1=1000.0, value2=1000.0, &end &wt type='TEMP0', istep1=8001, istep2=10000, value1=1000.0, value2=1000.0, &end &wt type='TEMP0', istep1=10001, istep2=30000, value1=0.0, value2=0.0, &end &wt type='TAUTP', istep1=0, istep2=8000, value1=2.0, value2=2.0, &end &wt type='TAUTP', istep1=8001, istep2=10000, value1=2.0, value2=2.0, &end &wt type='TAUTP', istep1=10001, istep2=25000, value1=4.0, value2=4.0, &end &wt type='TAUTP', istep1=25001, istep2=28000, value1=0.7, value2=0.1, &end &wt type='TAUTP', istep1=28001, istep2=29000, value1=0.1, value2=0.1, &end &wt type='TAUTP', istep1=29001, istep2=30000, value1=0.05, value2=0.05, &end &wt type='REST', istep1=0, istep2=16000, value1=0.0, value2=1.0, &end &wt type='REST', istep1=16001, istep2=30000, value1=1.0, value2=1.0, &end &wt type='END' &end LISTOUT=POUT DISANG=all.rst END END
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