USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= -1.06 USER MOD Single : A 28 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.14) USER MOD Single : A 29 ASN : amide:sc= -3.4 K(o=-3.4,f=-2.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 45 LYS NZ :NH3+ -105:sc= -0.819 (180deg=-2.64!) USER MOD Single : A 46 MET CE :methyl -164:sc= -2.5 (180deg=-2.97!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.031 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.106 4.050 1.551 1.00 0.00 N ATOM 175 CA ARG A 14 -7.183 2.671 2.018 1.00 0.00 C ATOM 176 C ARG A 14 -7.914 2.590 3.356 1.00 0.00 C ATOM 177 O ARG A 14 -8.149 3.607 4.008 1.00 0.00 O ATOM 178 CB ARG A 14 -5.780 2.077 2.155 1.00 0.00 C ATOM 179 CG ARG A 14 -5.097 1.816 0.822 1.00 0.00 C ATOM 180 CD ARG A 14 -5.540 0.492 0.220 1.00 0.00 C ATOM 181 NE ARG A 14 -6.741 0.638 -0.599 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.765 1.284 -1.760 1.00 0.00 C ATOM 183 NH1 ARG A 14 -5.660 1.839 -2.236 1.00 0.00 N ATOM 184 NH2 ARG A 14 -7.897 1.374 -2.447 1.00 0.00 N ATOM 0 HA ARG A 14 -7.743 2.095 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.163 2.756 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.843 1.141 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.326 2.626 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.016 1.811 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.734 0.083 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.731 -0.224 1.019 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.609 0.221 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.788 1.771 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.681 2.334 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.749 0.947 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.915 1.870 -3.338 1.00 0.00 H new ATOM 198 N ALA A 15 -8.269 1.374 3.757 1.00 0.00 N ATOM 199 CA ALA A 15 -8.971 1.161 5.017 1.00 0.00 C ATOM 200 C ALA A 15 -7.997 1.122 6.189 1.00 0.00 C ATOM 201 O ALA A 15 -6.781 1.043 6.014 1.00 0.00 O ATOM 202 CB ALA A 15 -9.781 -0.127 4.958 1.00 0.00 C ATOM 0 H ALA A 15 -8.082 0.522 3.228 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.651 1.999 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.300 -0.274 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.510 -0.061 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.113 -0.969 4.776 1.00 0.00 H new ATOM 208 N PRO A 16 -8.540 1.179 7.413 1.00 0.00 N ATOM 209 CA PRO A 16 -7.736 1.152 8.639 1.00 0.00 C ATOM 210 C PRO A 16 -7.093 -0.210 8.881 1.00 0.00 C ATOM 211 O PRO A 16 -5.990 -0.298 9.417 1.00 0.00 O ATOM 212 CB PRO A 16 -8.753 1.466 9.738 1.00 0.00 C ATOM 213 CG PRO A 16 -10.063 1.029 9.178 1.00 0.00 C ATOM 214 CD PRO A 16 -9.982 1.274 7.697 1.00 0.00 C ATOM 0 HA PRO A 16 -6.904 1.855 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.518 0.932 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.760 2.529 9.979 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.246 -0.024 9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.884 1.591 9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.552 0.533 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.381 2.253 7.429 1.00 0.00 H new ATOM 222 N GLU A 17 -7.791 -1.268 8.480 1.00 0.00 N ATOM 223 CA GLU A 17 -7.288 -2.625 8.655 1.00 0.00 C ATOM 224 C GLU A 17 -6.143 -2.909 7.686 1.00 0.00 C ATOM 225 O GLU A 17 -5.077 -3.374 8.090 1.00 0.00 O ATOM 226 CB GLU A 17 -8.412 -3.641 8.445 1.00 0.00 C ATOM 227 CG GLU A 17 -9.368 -3.743 9.621 1.00 0.00 C ATOM 228 CD GLU A 17 -10.525 -4.686 9.353 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.364 -4.362 8.486 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.592 -5.746 10.009 1.00 0.00 O ATOM 0 H GLU A 17 -8.706 -1.211 8.032 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.911 -2.717 9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.975 -3.368 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.974 -4.621 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.822 -4.085 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.758 -2.752 9.854 1.00 0.00 H new ATOM 237 N GLN A 18 -6.373 -2.626 6.408 1.00 0.00 N ATOM 238 CA GLN A 18 -5.362 -2.853 5.382 1.00 0.00 C ATOM 239 C GLN A 18 -4.131 -1.987 5.631 1.00 0.00 C ATOM 240 O GLN A 18 -3.004 -2.483 5.648 1.00 0.00 O ATOM 241 CB GLN A 18 -5.936 -2.556 3.996 1.00 0.00 C ATOM 242 CG GLN A 18 -7.170 -3.379 3.660 1.00 0.00 C ATOM 243 CD GLN A 18 -7.839 -2.930 2.376 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.915 -2.331 2.400 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.205 -3.216 1.246 1.00 0.00 N ATOM 0 H GLN A 18 -7.250 -2.239 6.058 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.063 -3.900 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.188 -1.497 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.168 -2.745 3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.889 -4.428 3.571 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.884 -3.309 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.315 -3.714 1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.607 -2.938 0.351 1.00 0.00 H new ATOM 254 N LEU A 19 -4.354 -0.692 5.824 1.00 0.00 N ATOM 255 CA LEU A 19 -3.262 0.243 6.072 1.00 0.00 C ATOM 256 C LEU A 19 -2.347 -0.269 7.179 1.00 0.00 C ATOM 257 O LEU A 19 -1.135 -0.383 6.994 1.00 0.00 O ATOM 258 CB LEU A 19 -3.818 1.618 6.448 1.00 0.00 C ATOM 259 CG LEU A 19 -4.125 2.560 5.284 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.596 3.911 5.800 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.901 2.724 4.394 1.00 0.00 C ATOM 0 H LEU A 19 -5.280 -0.265 5.814 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.677 0.332 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.733 1.473 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.102 2.109 7.107 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.927 2.122 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.810 4.568 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.500 3.778 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.817 4.356 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.138 3.398 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.080 3.139 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.608 1.753 3.995 1.00 0.00 H new ATOM 273 N ARG A 20 -2.935 -0.578 8.330 1.00 0.00 N ATOM 274 CA ARG A 20 -2.173 -1.080 9.467 1.00 0.00 C ATOM 275 C ARG A 20 -1.031 -1.980 9.002 1.00 0.00 C ATOM 276 O ARG A 20 0.083 -1.902 9.518 1.00 0.00 O ATOM 277 CB ARG A 20 -3.087 -1.849 10.422 1.00 0.00 C ATOM 278 CG ARG A 20 -2.337 -2.602 11.509 1.00 0.00 C ATOM 279 CD ARG A 20 -3.263 -3.007 12.645 1.00 0.00 C ATOM 280 NE ARG A 20 -3.531 -1.897 13.556 1.00 0.00 N ATOM 281 CZ ARG A 20 -4.465 -1.930 14.500 1.00 0.00 C ATOM 282 NH1 ARG A 20 -5.216 -3.011 14.656 1.00 0.00 N ATOM 283 NH2 ARG A 20 -4.649 -0.880 15.290 1.00 0.00 N ATOM 0 H ARG A 20 -3.937 -0.489 8.500 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.748 -0.225 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.781 -1.150 10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.685 -2.557 9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.872 -3.491 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.533 -1.977 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.204 -3.373 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.816 -3.832 13.200 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.970 -1.050 13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.077 -3.820 14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.932 -3.034 15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.073 -0.046 15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.366 -0.906 16.015 1.00 0.00 H new ATOM 297 N ALA A 21 -1.318 -2.833 8.025 1.00 0.00 N ATOM 298 CA ALA A 21 -0.317 -3.747 7.490 1.00 0.00 C ATOM 299 C ALA A 21 0.702 -3.003 6.632 1.00 0.00 C ATOM 300 O ALA A 21 1.906 -3.245 6.730 1.00 0.00 O ATOM 301 CB ALA A 21 -0.985 -4.849 6.682 1.00 0.00 C ATOM 0 H ALA A 21 -2.236 -2.910 7.588 1.00 0.00 H new ATOM 0 HA ALA A 21 0.212 -4.198 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.225 -5.524 6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.669 -5.406 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.541 -4.408 5.855 1.00 0.00 H new ATOM 307 N LEU A 22 0.212 -2.099 5.791 1.00 0.00 N ATOM 308 CA LEU A 22 1.080 -1.320 4.915 1.00 0.00 C ATOM 309 C LEU A 22 2.006 -0.420 5.726 1.00 0.00 C ATOM 310 O LEU A 22 3.216 -0.641 5.775 1.00 0.00 O ATOM 311 CB LEU A 22 0.242 -0.475 3.954 1.00 0.00 C ATOM 312 CG LEU A 22 -0.550 -1.246 2.898 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.489 -0.313 2.148 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.393 -1.948 1.931 1.00 0.00 C ATOM 0 H LEU A 22 -0.781 -1.887 5.697 1.00 0.00 H new ATOM 0 HA LEU A 22 1.692 -2.015 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.457 0.120 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.905 0.224 3.444 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.150 -2.003 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.044 -0.879 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.187 0.143 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.909 0.467 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.188 -2.492 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.020 -1.209 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.023 -2.647 2.481 1.00 0.00 H new ATOM 326 N GLU A 23 1.429 0.595 6.363 1.00 0.00 N ATOM 327 CA GLU A 23 2.204 1.527 7.173 1.00 0.00 C ATOM 328 C GLU A 23 3.319 0.801 7.921 1.00 0.00 C ATOM 329 O GLU A 23 4.481 1.203 7.867 1.00 0.00 O ATOM 330 CB GLU A 23 1.294 2.251 8.168 1.00 0.00 C ATOM 331 CG GLU A 23 0.428 3.325 7.531 1.00 0.00 C ATOM 332 CD GLU A 23 0.006 4.396 8.518 1.00 0.00 C ATOM 333 OE1 GLU A 23 -0.642 4.050 9.528 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.325 5.579 8.281 1.00 0.00 O ATOM 0 H GLU A 23 0.429 0.792 6.333 1.00 0.00 H new ATOM 0 HA GLU A 23 2.656 2.260 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.650 1.520 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.908 2.705 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.975 3.788 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.460 2.862 7.101 1.00 0.00 H new ATOM 341 N SER A 24 2.955 -0.269 8.620 1.00 0.00 N ATOM 342 CA SER A 24 3.922 -1.049 9.383 1.00 0.00 C ATOM 343 C SER A 24 5.068 -1.517 8.491 1.00 0.00 C ATOM 344 O SER A 24 6.237 -1.436 8.869 1.00 0.00 O ATOM 345 CB SER A 24 3.240 -2.256 10.030 1.00 0.00 C ATOM 346 OG SER A 24 4.134 -2.952 10.880 1.00 0.00 O ATOM 0 H SER A 24 1.997 -0.616 8.674 1.00 0.00 H new ATOM 0 HA SER A 24 4.331 -0.409 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.373 -1.925 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.872 -2.928 9.255 1.00 0.00 H new ATOM 0 HG SER A 24 3.674 -3.718 11.282 1.00 0.00 H new ATOM 352 N SER A 25 4.723 -2.007 7.304 1.00 0.00 N ATOM 353 CA SER A 25 5.721 -2.492 6.358 1.00 0.00 C ATOM 354 C SER A 25 6.563 -1.339 5.818 1.00 0.00 C ATOM 355 O SER A 25 7.773 -1.473 5.633 1.00 0.00 O ATOM 356 CB SER A 25 5.043 -3.228 5.201 1.00 0.00 C ATOM 357 OG SER A 25 5.979 -4.001 4.470 1.00 0.00 O ATOM 0 H SER A 25 3.760 -2.078 6.975 1.00 0.00 H new ATOM 0 HA SER A 25 6.378 -3.184 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.256 -3.875 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.565 -2.507 4.538 1.00 0.00 H new ATOM 0 HG SER A 25 6.116 -3.599 3.587 1.00 0.00 H new ATOM 363 N PHE A 26 5.914 -0.207 5.568 1.00 0.00 N ATOM 364 CA PHE A 26 6.602 0.969 5.048 1.00 0.00 C ATOM 365 C PHE A 26 7.816 1.313 5.906 1.00 0.00 C ATOM 366 O PHE A 26 8.887 1.628 5.388 1.00 0.00 O ATOM 367 CB PHE A 26 5.646 2.163 4.996 1.00 0.00 C ATOM 368 CG PHE A 26 6.208 3.349 4.266 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.610 3.240 2.945 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.334 4.574 4.902 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.128 4.330 2.272 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.852 5.668 4.234 1.00 0.00 C ATOM 373 CZ PHE A 26 7.248 5.546 2.917 1.00 0.00 C ATOM 0 H PHE A 26 4.913 -0.079 5.717 1.00 0.00 H new ATOM 0 HA PHE A 26 6.945 0.742 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.719 1.855 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.392 2.460 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.518 2.292 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.024 4.675 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.439 4.232 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.947 6.617 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.651 6.399 2.392 1.00 0.00 H new ATOM 383 N ALA A 27 7.640 1.250 7.222 1.00 0.00 N ATOM 384 CA ALA A 27 8.720 1.553 8.153 1.00 0.00 C ATOM 385 C ALA A 27 10.006 0.838 7.752 1.00 0.00 C ATOM 386 O ALA A 27 11.057 1.463 7.614 1.00 0.00 O ATOM 387 CB ALA A 27 8.319 1.169 9.569 1.00 0.00 C ATOM 0 H ALA A 27 6.759 0.992 7.667 1.00 0.00 H new ATOM 0 HA ALA A 27 8.906 2.626 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.135 1.401 10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.431 1.729 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.104 0.101 9.609 1.00 0.00 H new ATOM 393 N GLN A 28 9.915 -0.475 7.568 1.00 0.00 N ATOM 394 CA GLN A 28 11.072 -1.275 7.185 1.00 0.00 C ATOM 395 C GLN A 28 11.634 -0.812 5.845 1.00 0.00 C ATOM 396 O GLN A 28 12.818 -0.496 5.733 1.00 0.00 O ATOM 397 CB GLN A 28 10.694 -2.755 7.109 1.00 0.00 C ATOM 398 CG GLN A 28 10.519 -3.409 8.471 1.00 0.00 C ATOM 399 CD GLN A 28 11.818 -3.492 9.249 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.914 -3.000 10.373 1.00 0.00 O ATOM 401 NE2 GLN A 28 12.826 -4.119 8.653 1.00 0.00 N ATOM 0 H GLN A 28 9.052 -1.007 7.678 1.00 0.00 H new ATOM 0 HA GLN A 28 11.841 -1.143 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.767 -2.856 6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.465 -3.290 6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.788 -2.844 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.114 -4.412 8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.702 -4.512 7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.724 -4.207 9.128 1.00 0.00 H new ATOM 410 N ASN A 29 10.777 -0.776 4.830 1.00 0.00 N ATOM 411 CA ASN A 29 11.188 -0.352 3.497 1.00 0.00 C ATOM 412 C ASN A 29 10.010 0.235 2.725 1.00 0.00 C ATOM 413 O ASN A 29 8.875 -0.230 2.828 1.00 0.00 O ATOM 414 CB ASN A 29 11.781 -1.533 2.725 1.00 0.00 C ATOM 415 CG ASN A 29 11.181 -2.860 3.148 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.581 -3.440 4.158 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.218 -3.347 2.375 1.00 0.00 N ATOM 0 H ASN A 29 9.793 -1.035 4.905 1.00 0.00 H new ATOM 0 HA ASN A 29 11.948 0.421 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.615 -1.386 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.860 -1.559 2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.777 -4.237 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.919 -2.831 1.547 1.00 0.00 H new ATOM 424 N PRO A 30 10.285 1.281 1.932 1.00 0.00 N ATOM 425 CA PRO A 30 9.262 1.954 1.126 1.00 0.00 C ATOM 426 C PRO A 30 8.768 1.086 -0.026 1.00 0.00 C ATOM 427 O PRO A 30 7.604 1.165 -0.422 1.00 0.00 O ATOM 428 CB PRO A 30 9.989 3.190 0.591 1.00 0.00 C ATOM 429 CG PRO A 30 11.429 2.812 0.589 1.00 0.00 C ATOM 430 CD PRO A 30 11.616 1.888 1.761 1.00 0.00 C ATOM 0 HA PRO A 30 8.371 2.186 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.646 3.448 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.809 4.060 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.702 2.319 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.064 3.693 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.379 1.135 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.929 2.429 2.654 1.00 0.00 H new ATOM 438 N LEU A 31 9.658 0.257 -0.560 1.00 0.00 N ATOM 439 CA LEU A 31 9.312 -0.627 -1.667 1.00 0.00 C ATOM 440 C LEU A 31 9.666 -2.074 -1.339 1.00 0.00 C ATOM 441 O LEU A 31 10.723 -2.581 -1.714 1.00 0.00 O ATOM 442 CB LEU A 31 10.037 -0.190 -2.941 1.00 0.00 C ATOM 443 CG LEU A 31 9.842 1.269 -3.357 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.611 1.567 -4.634 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.363 1.579 -3.538 1.00 0.00 C ATOM 0 H LEU A 31 10.625 0.179 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 31 8.236 -0.562 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.104 -0.370 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.706 -0.828 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 31 10.232 1.908 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.460 2.609 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.673 1.385 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.252 0.920 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.243 2.621 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.948 0.932 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.837 1.406 -2.599 1.00 0.00 H new ATOM 457 N PRO A 32 8.760 -2.758 -0.624 1.00 0.00 N ATOM 458 CA PRO A 32 8.952 -4.157 -0.232 1.00 0.00 C ATOM 459 C PRO A 32 8.875 -5.108 -1.421 1.00 0.00 C ATOM 460 O PRO A 32 8.022 -4.956 -2.297 1.00 0.00 O ATOM 461 CB PRO A 32 7.796 -4.417 0.737 1.00 0.00 C ATOM 462 CG PRO A 32 6.745 -3.437 0.343 1.00 0.00 C ATOM 463 CD PRO A 32 7.477 -2.217 -0.143 1.00 0.00 C ATOM 0 HA PRO A 32 9.937 -4.326 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.433 -5.441 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.106 -4.271 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.105 -3.845 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.101 -3.195 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.931 -1.711 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.622 -1.490 0.656 1.00 0.00 H new ATOM 471 N LEU A 33 9.770 -6.090 -1.447 1.00 0.00 N ATOM 472 CA LEU A 33 9.802 -7.067 -2.530 1.00 0.00 C ATOM 473 C LEU A 33 8.535 -7.916 -2.535 1.00 0.00 C ATOM 474 O LEU A 33 7.613 -7.678 -1.755 1.00 0.00 O ATOM 475 CB LEU A 33 11.032 -7.966 -2.394 1.00 0.00 C ATOM 476 CG LEU A 33 12.388 -7.279 -2.563 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.516 -8.219 -2.165 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.570 -6.803 -3.997 1.00 0.00 C ATOM 0 H LEU A 33 10.483 -6.231 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 33 9.857 -6.526 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.006 -8.437 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.957 -8.764 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 33 12.417 -6.410 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.473 -7.713 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.395 -8.511 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.489 -9.107 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.540 -6.317 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.519 -7.657 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.781 -6.094 -4.248 1.00 0.00 H new ATOM 490 N ASP A 34 8.498 -8.908 -3.418 1.00 0.00 N ATOM 491 CA ASP A 34 7.346 -9.795 -3.523 1.00 0.00 C ATOM 492 C ASP A 34 7.093 -10.516 -2.203 1.00 0.00 C ATOM 493 O ASP A 34 5.994 -10.454 -1.652 1.00 0.00 O ATOM 494 CB ASP A 34 7.561 -10.815 -4.643 1.00 0.00 C ATOM 495 CG ASP A 34 7.104 -10.298 -5.993 1.00 0.00 C ATOM 496 OD1 ASP A 34 6.066 -9.606 -6.042 1.00 0.00 O ATOM 497 OD2 ASP A 34 7.784 -10.586 -7.000 1.00 0.00 O ATOM 0 H ASP A 34 9.253 -9.118 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 34 6.472 -9.188 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.618 -11.075 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.019 -11.731 -4.406 1.00 0.00 H new ATOM 502 N GLU A 35 8.117 -11.200 -1.702 1.00 0.00 N ATOM 503 CA GLU A 35 8.004 -11.934 -0.448 1.00 0.00 C ATOM 504 C GLU A 35 7.274 -11.105 0.604 1.00 0.00 C ATOM 505 O GLU A 35 6.177 -11.458 1.036 1.00 0.00 O ATOM 506 CB GLU A 35 9.391 -12.324 0.067 1.00 0.00 C ATOM 507 CG GLU A 35 10.183 -13.181 -0.906 1.00 0.00 C ATOM 508 CD GLU A 35 11.302 -13.949 -0.230 1.00 0.00 C ATOM 509 OE1 GLU A 35 11.023 -15.022 0.344 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.458 -13.477 -0.275 1.00 0.00 O ATOM 0 H GLU A 35 9.034 -11.261 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 35 7.427 -12.839 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.957 -11.418 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.281 -12.864 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.510 -13.884 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.603 -12.545 -1.685 1.00 0.00 H new ATOM 517 N GLU A 36 7.891 -10.000 1.012 1.00 0.00 N ATOM 518 CA GLU A 36 7.300 -9.121 2.014 1.00 0.00 C ATOM 519 C GLU A 36 5.853 -8.789 1.662 1.00 0.00 C ATOM 520 O GLU A 36 4.983 -8.753 2.532 1.00 0.00 O ATOM 521 CB GLU A 36 8.115 -7.832 2.139 1.00 0.00 C ATOM 522 CG GLU A 36 7.587 -6.877 3.196 1.00 0.00 C ATOM 523 CD GLU A 36 7.540 -7.503 4.576 1.00 0.00 C ATOM 524 OE1 GLU A 36 6.626 -8.317 4.827 1.00 0.00 O ATOM 525 OE2 GLU A 36 8.416 -7.180 5.405 1.00 0.00 O ATOM 0 H GLU A 36 8.799 -9.693 0.664 1.00 0.00 H new ATOM 0 HA GLU A 36 7.312 -9.644 2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.148 -8.087 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.125 -7.324 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.218 -5.989 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.586 -6.548 2.916 1.00 0.00 H new ATOM 532 N LEU A 37 5.604 -8.547 0.380 1.00 0.00 N ATOM 533 CA LEU A 37 4.263 -8.217 -0.090 1.00 0.00 C ATOM 534 C LEU A 37 3.312 -9.393 0.108 1.00 0.00 C ATOM 535 O LEU A 37 2.140 -9.208 0.438 1.00 0.00 O ATOM 536 CB LEU A 37 4.301 -7.820 -1.567 1.00 0.00 C ATOM 537 CG LEU A 37 4.896 -6.447 -1.878 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.379 -6.388 -3.319 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.875 -5.350 -1.611 1.00 0.00 C ATOM 0 H LEU A 37 6.313 -8.573 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 37 3.897 -7.374 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.872 -8.573 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.283 -7.849 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 37 5.752 -6.287 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.799 -5.403 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.144 -7.149 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.541 -6.570 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.316 -4.379 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.999 -5.507 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.577 -5.377 -0.563 1.00 0.00 H new ATOM 551 N ASP A 38 3.824 -10.602 -0.093 1.00 0.00 N ATOM 552 CA ASP A 38 3.022 -11.809 0.066 1.00 0.00 C ATOM 553 C ASP A 38 2.316 -11.817 1.419 1.00 0.00 C ATOM 554 O ASP A 38 1.138 -12.163 1.513 1.00 0.00 O ATOM 555 CB ASP A 38 3.900 -13.053 -0.072 1.00 0.00 C ATOM 556 CG ASP A 38 3.086 -14.327 -0.182 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.464 -14.722 0.826 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.071 -14.930 -1.276 1.00 0.00 O ATOM 0 H ASP A 38 4.792 -10.772 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 38 2.266 -11.819 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.532 -12.952 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.564 -13.123 0.790 1.00 0.00 H new ATOM 563 N ARG A 39 3.044 -11.435 2.463 1.00 0.00 N ATOM 564 CA ARG A 39 2.489 -11.401 3.810 1.00 0.00 C ATOM 565 C ARG A 39 1.380 -10.358 3.915 1.00 0.00 C ATOM 566 O ARG A 39 0.245 -10.677 4.273 1.00 0.00 O ATOM 567 CB ARG A 39 3.587 -11.097 4.830 1.00 0.00 C ATOM 568 CG ARG A 39 3.194 -11.417 6.263 1.00 0.00 C ATOM 569 CD ARG A 39 4.399 -11.393 7.190 1.00 0.00 C ATOM 570 NE ARG A 39 4.632 -10.064 7.750 1.00 0.00 N ATOM 571 CZ ARG A 39 3.851 -9.506 8.668 1.00 0.00 C ATOM 572 NH1 ARG A 39 2.791 -10.158 9.126 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.128 -8.293 9.128 1.00 0.00 N ATOM 0 H ARG A 39 4.020 -11.145 2.402 1.00 0.00 H new ATOM 0 HA ARG A 39 2.064 -12.381 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.479 -11.667 4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.852 -10.042 4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.454 -10.695 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.723 -12.399 6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.247 -12.106 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.284 -11.716 6.642 1.00 0.00 H new ATOM 0 HE ARG A 39 5.439 -9.536 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.574 -11.090 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.193 -9.727 9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.941 -7.788 8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.527 -7.865 9.833 1.00 0.00 H new ATOM 587 N LEU A 40 1.715 -9.112 3.601 1.00 0.00 N ATOM 588 CA LEU A 40 0.748 -8.021 3.660 1.00 0.00 C ATOM 589 C LEU A 40 -0.511 -8.367 2.873 1.00 0.00 C ATOM 590 O LEU A 40 -1.628 -8.151 3.343 1.00 0.00 O ATOM 591 CB LEU A 40 1.368 -6.734 3.113 1.00 0.00 C ATOM 592 CG LEU A 40 2.667 -6.279 3.779 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.362 -5.227 2.928 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.390 -5.741 5.175 1.00 0.00 C ATOM 0 H LEU A 40 2.649 -8.831 3.303 1.00 0.00 H new ATOM 0 HA LEU A 40 0.472 -7.869 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.557 -6.870 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.635 -5.933 3.207 1.00 0.00 H new ATOM 0 HG LEU A 40 3.329 -7.140 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.285 -4.915 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.594 -5.646 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.706 -4.365 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.326 -5.422 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.710 -4.892 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.936 -6.523 5.783 1.00 0.00 H new ATOM 606 N ARG A 41 -0.324 -8.908 1.673 1.00 0.00 N ATOM 607 CA ARG A 41 -1.445 -9.285 0.821 1.00 0.00 C ATOM 608 C ARG A 41 -2.534 -9.982 1.632 1.00 0.00 C ATOM 609 O ARG A 41 -3.721 -9.861 1.329 1.00 0.00 O ATOM 610 CB ARG A 41 -0.969 -10.202 -0.307 1.00 0.00 C ATOM 611 CG ARG A 41 -0.382 -9.454 -1.493 1.00 0.00 C ATOM 612 CD ARG A 41 -0.413 -10.300 -2.756 1.00 0.00 C ATOM 613 NE ARG A 41 -0.249 -11.722 -2.468 1.00 0.00 N ATOM 614 CZ ARG A 41 -0.172 -12.658 -3.407 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.243 -12.325 -4.688 1.00 0.00 N ATOM 616 NH2 ARG A 41 -0.022 -13.932 -3.065 1.00 0.00 N ATOM 0 H ARG A 41 0.594 -9.095 1.269 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.863 -8.376 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.219 -10.888 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.808 -10.808 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.942 -8.533 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.646 -9.167 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.359 -10.142 -3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.379 -9.973 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.190 -12.012 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.357 -11.347 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.183 -13.046 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.034 -14.193 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.037 -14.650 -3.787 1.00 0.00 H new ATOM 630 N SER A 42 -2.121 -10.712 2.664 1.00 0.00 N ATOM 631 CA SER A 42 -3.060 -11.431 3.516 1.00 0.00 C ATOM 632 C SER A 42 -3.895 -10.460 4.345 1.00 0.00 C ATOM 633 O SER A 42 -5.108 -10.621 4.473 1.00 0.00 O ATOM 634 CB SER A 42 -2.310 -12.394 4.439 1.00 0.00 C ATOM 635 OG SER A 42 -3.206 -13.275 5.093 1.00 0.00 O ATOM 0 H SER A 42 -1.142 -10.821 2.930 1.00 0.00 H new ATOM 0 HA SER A 42 -3.730 -12.003 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.587 -12.969 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.746 -11.827 5.180 1.00 0.00 H new ATOM 0 HG SER A 42 -2.702 -13.881 5.676 1.00 0.00 H new ATOM 641 N GLU A 43 -3.235 -9.452 4.907 1.00 0.00 N ATOM 642 CA GLU A 43 -3.916 -8.455 5.725 1.00 0.00 C ATOM 643 C GLU A 43 -4.596 -7.406 4.850 1.00 0.00 C ATOM 644 O GLU A 43 -5.803 -7.186 4.949 1.00 0.00 O ATOM 645 CB GLU A 43 -2.924 -7.779 6.674 1.00 0.00 C ATOM 646 CG GLU A 43 -2.146 -8.756 7.538 1.00 0.00 C ATOM 647 CD GLU A 43 -1.727 -8.155 8.866 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.992 -7.146 8.855 1.00 0.00 O ATOM 649 OE2 GLU A 43 -2.134 -8.695 9.916 1.00 0.00 O ATOM 0 H GLU A 43 -2.230 -9.304 4.811 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.681 -8.964 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.222 -7.185 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.465 -7.088 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.757 -9.640 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.259 -9.087 6.997 1.00 0.00 H new ATOM 656 N THR A 44 -3.812 -6.761 3.992 1.00 0.00 N ATOM 657 CA THR A 44 -4.336 -5.734 3.101 1.00 0.00 C ATOM 658 C THR A 44 -5.364 -6.315 2.137 1.00 0.00 C ATOM 659 O THR A 44 -6.275 -5.619 1.690 1.00 0.00 O ATOM 660 CB THR A 44 -3.210 -5.064 2.291 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.343 -6.061 1.741 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.407 -4.113 3.165 1.00 0.00 C ATOM 0 H THR A 44 -2.811 -6.932 3.896 1.00 0.00 H new ATOM 0 HA THR A 44 -4.815 -4.984 3.731 1.00 0.00 H new ATOM 0 HB THR A 44 -3.665 -4.492 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.631 -5.627 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.618 -3.652 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.065 -3.338 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.962 -4.667 3.992 1.00 0.00 H new ATOM 670 N LYS A 45 -5.212 -7.596 1.819 1.00 0.00 N ATOM 671 CA LYS A 45 -6.127 -8.274 0.909 1.00 0.00 C ATOM 672 C LYS A 45 -6.170 -7.569 -0.444 1.00 0.00 C ATOM 673 O LYS A 45 -7.217 -7.504 -1.087 1.00 0.00 O ATOM 674 CB LYS A 45 -7.532 -8.327 1.512 1.00 0.00 C ATOM 675 CG LYS A 45 -7.617 -9.153 2.784 1.00 0.00 C ATOM 676 CD LYS A 45 -7.737 -10.637 2.479 1.00 0.00 C ATOM 677 CE LYS A 45 -9.150 -11.005 2.052 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.336 -10.874 0.580 1.00 0.00 N ATOM 0 H LYS A 45 -4.462 -8.186 2.179 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.764 -9.291 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.865 -7.311 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.220 -8.740 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.731 -8.976 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.477 -8.831 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.035 -10.905 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.460 -11.215 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.366 -12.029 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.864 -10.362 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.890 -10.018 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.407 -10.805 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.841 -11.708 0.218 1.00 0.00 H new ATOM 692 N MET A 46 -5.025 -7.045 -0.869 1.00 0.00 N ATOM 693 CA MET A 46 -4.933 -6.348 -2.147 1.00 0.00 C ATOM 694 C MET A 46 -3.967 -7.063 -3.087 1.00 0.00 C ATOM 695 O MET A 46 -3.337 -8.052 -2.713 1.00 0.00 O ATOM 696 CB MET A 46 -4.478 -4.903 -1.932 1.00 0.00 C ATOM 697 CG MET A 46 -5.450 -4.076 -1.106 1.00 0.00 C ATOM 698 SD MET A 46 -4.643 -2.718 -0.237 1.00 0.00 S ATOM 699 CE MET A 46 -3.666 -2.004 -1.558 1.00 0.00 C ATOM 0 H MET A 46 -4.149 -7.090 -0.348 1.00 0.00 H new ATOM 0 HA MET A 46 -5.923 -6.346 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.506 -4.906 -1.438 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.341 -4.426 -2.902 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.225 -3.675 -1.759 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.946 -4.722 -0.382 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.905 -1.348 -1.134 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.184 -2.800 -2.125 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.314 -1.429 -2.219 1.00 0.00 H new ATOM 709 N THR A 47 -3.855 -6.555 -4.311 1.00 0.00 N ATOM 710 CA THR A 47 -2.968 -7.146 -5.305 1.00 0.00 C ATOM 711 C THR A 47 -1.633 -6.412 -5.356 1.00 0.00 C ATOM 712 O THR A 47 -1.517 -5.282 -4.881 1.00 0.00 O ATOM 713 CB THR A 47 -3.605 -7.128 -6.708 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.978 -5.790 -7.059 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.828 -8.031 -6.758 1.00 0.00 C ATOM 0 H THR A 47 -4.368 -5.736 -4.637 1.00 0.00 H new ATOM 0 HA THR A 47 -2.800 -8.180 -5.004 1.00 0.00 H new ATOM 0 HB THR A 47 -2.870 -7.499 -7.422 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.380 -5.786 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.261 -8.002 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.535 -9.053 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.565 -7.685 -6.033 1.00 0.00 H new ATOM 723 N ARG A 48 -0.628 -7.060 -5.935 1.00 0.00 N ATOM 724 CA ARG A 48 0.699 -6.469 -6.047 1.00 0.00 C ATOM 725 C ARG A 48 0.614 -5.038 -6.570 1.00 0.00 C ATOM 726 O ARG A 48 1.300 -4.143 -6.075 1.00 0.00 O ATOM 727 CB ARG A 48 1.579 -7.310 -6.973 1.00 0.00 C ATOM 728 CG ARG A 48 2.369 -8.389 -6.249 1.00 0.00 C ATOM 729 CD ARG A 48 1.456 -9.303 -5.447 1.00 0.00 C ATOM 730 NE ARG A 48 0.716 -10.226 -6.303 1.00 0.00 N ATOM 731 CZ ARG A 48 1.276 -11.254 -6.931 1.00 0.00 C ATOM 732 NH1 ARG A 48 2.574 -11.490 -6.799 1.00 0.00 N ATOM 733 NH2 ARG A 48 0.536 -12.050 -7.693 1.00 0.00 N ATOM 0 H ARG A 48 -0.708 -7.995 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 48 1.145 -6.449 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.951 -7.778 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.273 -6.653 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.931 -8.979 -6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.097 -7.924 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.050 -9.870 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.754 -8.700 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.285 -10.073 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.146 -10.881 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.000 -12.280 -7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.463 -11.872 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.966 -12.839 -8.175 1.00 0.00 H new ATOM 747 N ARG A 49 -0.231 -4.830 -7.574 1.00 0.00 N ATOM 748 CA ARG A 49 -0.405 -3.508 -8.166 1.00 0.00 C ATOM 749 C ARG A 49 -1.044 -2.546 -7.169 1.00 0.00 C ATOM 750 O ARG A 49 -0.539 -1.448 -6.941 1.00 0.00 O ATOM 751 CB ARG A 49 -1.265 -3.599 -9.427 1.00 0.00 C ATOM 752 CG ARG A 49 -1.950 -2.293 -9.793 1.00 0.00 C ATOM 753 CD ARG A 49 -2.204 -2.197 -11.289 1.00 0.00 C ATOM 754 NE ARG A 49 -0.961 -2.155 -12.054 1.00 0.00 N ATOM 755 CZ ARG A 49 -0.232 -1.056 -12.214 1.00 0.00 C ATOM 756 NH1 ARG A 49 -0.622 0.087 -11.665 1.00 0.00 N ATOM 757 NH2 ARG A 49 0.888 -1.098 -12.923 1.00 0.00 N ATOM 0 H ARG A 49 -0.806 -5.560 -7.995 1.00 0.00 H new ATOM 0 HA ARG A 49 0.580 -3.125 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.639 -3.917 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.023 -4.369 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.896 -2.214 -9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.331 -1.454 -9.473 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.799 -3.052 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.790 -1.303 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.634 -3.017 -12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.483 0.123 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.061 0.930 -11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.191 -1.975 -13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.446 -0.253 -13.045 1.00 0.00 H new ATOM 771 N GLU A 50 -2.159 -2.967 -6.579 1.00 0.00 N ATOM 772 CA GLU A 50 -2.868 -2.142 -5.608 1.00 0.00 C ATOM 773 C GLU A 50 -1.924 -1.666 -4.507 1.00 0.00 C ATOM 774 O GLU A 50 -1.896 -0.483 -4.168 1.00 0.00 O ATOM 775 CB GLU A 50 -4.032 -2.923 -4.996 1.00 0.00 C ATOM 776 CG GLU A 50 -5.214 -3.090 -5.936 1.00 0.00 C ATOM 777 CD GLU A 50 -6.135 -1.885 -5.936 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.621 -0.747 -5.955 1.00 0.00 O ATOM 779 OE2 GLU A 50 -7.368 -2.079 -5.916 1.00 0.00 O ATOM 0 H GLU A 50 -2.590 -3.874 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.261 -1.268 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.678 -3.908 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.366 -2.412 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.847 -3.262 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.780 -3.975 -5.648 1.00 0.00 H new ATOM 786 N ILE A 51 -1.156 -2.597 -3.952 1.00 0.00 N ATOM 787 CA ILE A 51 -0.211 -2.274 -2.890 1.00 0.00 C ATOM 788 C ILE A 51 0.964 -1.464 -3.427 1.00 0.00 C ATOM 789 O ILE A 51 1.288 -0.398 -2.904 1.00 0.00 O ATOM 790 CB ILE A 51 0.325 -3.546 -2.207 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.833 -4.390 -1.670 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.285 -3.180 -1.085 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.424 -5.788 -1.265 1.00 0.00 C ATOM 0 H ILE A 51 -1.169 -3.581 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.753 -1.679 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 51 0.868 -4.136 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.272 -3.885 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.610 -4.454 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.655 -4.089 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.124 -2.616 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.765 -2.572 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.295 -6.329 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.013 -6.311 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.331 -5.733 -0.480 1.00 0.00 H new ATOM 805 N ASP A 52 1.599 -1.977 -4.475 1.00 0.00 N ATOM 806 CA ASP A 52 2.737 -1.301 -5.086 1.00 0.00 C ATOM 807 C ASP A 52 2.469 0.194 -5.228 1.00 0.00 C ATOM 808 O ASP A 52 3.247 1.022 -4.755 1.00 0.00 O ATOM 809 CB ASP A 52 3.044 -1.909 -6.456 1.00 0.00 C ATOM 810 CG ASP A 52 4.029 -3.058 -6.371 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.022 -2.934 -5.624 1.00 0.00 O ATOM 812 OD2 ASP A 52 3.809 -4.081 -7.054 1.00 0.00 O ATOM 0 H ASP A 52 1.345 -2.859 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 52 3.601 -1.437 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.118 -2.261 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.447 -1.137 -7.111 1.00 0.00 H new ATOM 817 N SER A 53 1.363 0.532 -5.883 1.00 0.00 N ATOM 818 CA SER A 53 0.994 1.927 -6.092 1.00 0.00 C ATOM 819 C SER A 53 0.979 2.689 -4.770 1.00 0.00 C ATOM 820 O SER A 53 1.543 3.777 -4.661 1.00 0.00 O ATOM 821 CB SER A 53 -0.378 2.020 -6.763 1.00 0.00 C ATOM 822 OG SER A 53 -0.780 3.370 -6.918 1.00 0.00 O ATOM 0 H SER A 53 0.707 -0.141 -6.278 1.00 0.00 H new ATOM 0 HA SER A 53 1.740 2.380 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.343 1.534 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.115 1.484 -6.166 1.00 0.00 H new ATOM 0 HG SER A 53 -1.659 3.402 -7.350 1.00 0.00 H new ATOM 828 N TRP A 54 0.328 2.108 -3.768 1.00 0.00 N ATOM 829 CA TRP A 54 0.238 2.731 -2.452 1.00 0.00 C ATOM 830 C TRP A 54 1.602 3.235 -1.995 1.00 0.00 C ATOM 831 O TRP A 54 1.723 4.346 -1.478 1.00 0.00 O ATOM 832 CB TRP A 54 -0.321 1.738 -1.432 1.00 0.00 C ATOM 833 CG TRP A 54 -0.429 2.305 -0.049 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.542 2.840 0.533 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.617 2.394 0.924 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.251 3.257 1.810 1.00 0.00 N ATOM 837 CE2 TRP A 54 0.067 2.994 2.074 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.965 2.024 0.938 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.818 3.231 3.222 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.710 2.261 2.077 1.00 0.00 C ATOM 841 CH2 TRP A 54 2.135 2.859 3.207 1.00 0.00 C ATOM 0 H TRP A 54 -0.145 1.207 -3.842 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.437 3.583 -2.526 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.307 1.408 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.318 0.856 -1.406 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.509 2.923 0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.910 3.692 2.456 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.416 1.561 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.377 3.692 4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.753 1.981 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.743 3.030 4.083 1.00 0.00 H new ATOM 852 N PHE A 55 2.628 2.412 -2.187 1.00 0.00 N ATOM 853 CA PHE A 55 3.984 2.775 -1.793 1.00 0.00 C ATOM 854 C PHE A 55 4.511 3.923 -2.649 1.00 0.00 C ATOM 855 O PHE A 55 4.916 4.963 -2.131 1.00 0.00 O ATOM 856 CB PHE A 55 4.914 1.566 -1.913 1.00 0.00 C ATOM 857 CG PHE A 55 4.802 0.607 -0.762 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.236 0.969 0.503 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.263 -0.656 -0.946 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.134 0.089 1.564 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.158 -1.540 0.112 1.00 0.00 C ATOM 862 CZ PHE A 55 4.596 -1.167 1.368 1.00 0.00 C ATOM 0 H PHE A 55 2.546 1.489 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 55 3.958 3.103 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.691 1.037 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.944 1.916 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.659 1.950 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.921 -0.953 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.475 0.384 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.734 -2.521 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.518 -1.857 2.195 1.00 0.00 H new ATOM 872 N SER A 56 4.502 3.725 -3.964 1.00 0.00 N ATOM 873 CA SER A 56 4.983 4.740 -4.893 1.00 0.00 C ATOM 874 C SER A 56 4.169 6.024 -4.763 1.00 0.00 C ATOM 875 O SER A 56 4.617 7.098 -5.163 1.00 0.00 O ATOM 876 CB SER A 56 4.912 4.221 -6.330 1.00 0.00 C ATOM 877 OG SER A 56 5.774 4.957 -7.181 1.00 0.00 O ATOM 0 H SER A 56 4.167 2.871 -4.409 1.00 0.00 H new ATOM 0 HA SER A 56 6.021 4.962 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.186 3.166 -6.353 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.888 4.292 -6.695 1.00 0.00 H new ATOM 0 HG SER A 56 5.712 4.605 -8.093 1.00 0.00 H new ATOM 883 N GLU A 57 2.970 5.903 -4.202 1.00 0.00 N ATOM 884 CA GLU A 57 2.093 7.054 -4.020 1.00 0.00 C ATOM 885 C GLU A 57 2.244 7.637 -2.618 1.00 0.00 C ATOM 886 O GLU A 57 2.081 8.840 -2.414 1.00 0.00 O ATOM 887 CB GLU A 57 0.636 6.656 -4.265 1.00 0.00 C ATOM 888 CG GLU A 57 0.258 6.603 -5.735 1.00 0.00 C ATOM 889 CD GLU A 57 0.018 7.979 -6.325 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.665 8.795 -5.671 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.513 8.240 -7.442 1.00 0.00 O ATOM 0 H GLU A 57 2.584 5.021 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 57 2.381 7.816 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.455 5.679 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.016 7.366 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.052 6.106 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.641 5.999 -5.854 1.00 0.00 H new ATOM 898 N ARG A 58 2.556 6.775 -1.656 1.00 0.00 N ATOM 899 CA ARG A 58 2.727 7.204 -0.273 1.00 0.00 C ATOM 900 C ARG A 58 4.132 7.752 -0.044 1.00 0.00 C ATOM 901 O ARG A 58 4.302 8.897 0.377 1.00 0.00 O ATOM 902 CB ARG A 58 2.461 6.038 0.681 1.00 0.00 C ATOM 903 CG ARG A 58 2.490 6.433 2.149 1.00 0.00 C ATOM 904 CD ARG A 58 1.265 7.249 2.530 1.00 0.00 C ATOM 905 NE ARG A 58 1.174 7.458 3.973 1.00 0.00 N ATOM 906 CZ ARG A 58 0.440 8.414 4.532 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.263 9.243 3.773 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.409 8.541 5.852 1.00 0.00 N ATOM 0 H ARG A 58 2.695 5.776 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 58 2.009 7.999 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.488 5.605 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.205 5.261 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.538 5.537 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.391 7.010 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.301 8.214 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.367 6.740 2.180 1.00 0.00 H new ATOM 0 HE ARG A 58 1.703 6.836 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.241 9.148 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.826 9.976 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.949 7.905 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.155 9.275 6.281 1.00 0.00 H new ATOM 922 N ARG A 59 5.137 6.928 -0.323 1.00 0.00 N ATOM 923 CA ARG A 59 6.527 7.330 -0.145 1.00 0.00 C ATOM 924 C ARG A 59 6.815 8.633 -0.885 1.00 0.00 C ATOM 925 O ARG A 59 7.505 9.513 -0.370 1.00 0.00 O ATOM 926 CB ARG A 59 7.466 6.229 -0.644 1.00 0.00 C ATOM 927 CG ARG A 59 7.735 6.289 -2.139 1.00 0.00 C ATOM 928 CD ARG A 59 8.826 5.313 -2.548 1.00 0.00 C ATOM 929 NE ARG A 59 9.217 5.483 -3.944 1.00 0.00 N ATOM 930 CZ ARG A 59 9.972 6.486 -4.379 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.414 7.404 -3.530 1.00 0.00 N ATOM 932 NH2 ARG A 59 10.285 6.573 -5.666 1.00 0.00 N ATOM 0 H ARG A 59 5.014 5.978 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 59 6.699 7.491 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.413 6.301 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.036 5.258 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.819 6.062 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.028 7.301 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.697 5.454 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.477 4.292 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 59 8.893 4.794 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.174 7.341 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.993 8.173 -3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.946 5.869 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.865 7.343 -5.999 1.00 0.00 H new ATOM 946 N LYS A 60 6.282 8.749 -2.097 1.00 0.00 N ATOM 947 CA LYS A 60 6.480 9.944 -2.909 1.00 0.00 C ATOM 948 C LYS A 60 5.790 11.150 -2.280 1.00 0.00 C ATOM 949 O LYS A 60 6.271 12.278 -2.385 1.00 0.00 O ATOM 950 CB LYS A 60 5.945 9.717 -4.325 1.00 0.00 C ATOM 951 CG LYS A 60 4.435 9.838 -4.431 1.00 0.00 C ATOM 952 CD LYS A 60 3.986 9.970 -5.877 1.00 0.00 C ATOM 953 CE LYS A 60 4.025 11.417 -6.343 1.00 0.00 C ATOM 954 NZ LYS A 60 4.115 11.519 -7.826 1.00 0.00 N ATOM 0 H LYS A 60 5.709 8.030 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 60 7.550 10.146 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.407 10.438 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.246 8.726 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.967 8.962 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.098 10.706 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.629 9.364 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.974 9.580 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.130 11.934 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.879 11.921 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.139 12.521 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.982 11.047 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.287 11.060 -8.256 1.00 0.00 H new ATOM 968 N LYS A 61 4.661 10.904 -1.624 1.00 0.00 N ATOM 969 CA LYS A 61 3.905 11.969 -0.975 1.00 0.00 C ATOM 970 C LYS A 61 4.731 12.631 0.123 1.00 0.00 C ATOM 971 O LYS A 61 4.680 13.847 0.304 1.00 0.00 O ATOM 972 CB LYS A 61 2.606 11.414 -0.387 1.00 0.00 C ATOM 973 CG LYS A 61 1.562 12.481 -0.104 1.00 0.00 C ATOM 974 CD LYS A 61 0.248 11.869 0.353 1.00 0.00 C ATOM 975 CE LYS A 61 -0.676 12.917 0.952 1.00 0.00 C ATOM 976 NZ LYS A 61 -0.172 13.419 2.260 1.00 0.00 N ATOM 0 H LYS A 61 4.249 9.976 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 61 3.664 12.721 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.188 10.682 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.833 10.885 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.934 13.161 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.395 13.075 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.244 11.389 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.445 11.091 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.777 13.751 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.670 12.491 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.942 13.899 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.172 12.620 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.607 14.089 2.098 1.00 0.00 H new