USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 Set 1.1: A 98 GLN : amide:sc= -6.51! C(o=-6.5!,f=-11!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -172:sc= 0.0127 (180deg=0) USER MOD Set 2.1: A 27 THR OG1 : rot -175:sc= 0.347 USER MOD Set 2.2: A 31 THR OG1 : rot -177:sc= -0.311! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.11) USER MOD Single : A 29 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.19) USER MOD Single : A 37 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.89) USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 SER OG : rot -160:sc= -3.4! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 67 ASN :FLIP amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.687 F(o=-2.6,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.369 -0.100 2.546 1.00 0.00 N ATOM 216 CA CYS A 14 12.111 1.040 3.463 1.00 0.00 C ATOM 217 C CYS A 14 11.473 0.481 4.742 1.00 0.00 C ATOM 218 O CYS A 14 10.645 -0.406 4.683 1.00 0.00 O ATOM 219 CB CYS A 14 11.131 1.960 2.720 1.00 0.00 C ATOM 220 SG CYS A 14 11.711 2.328 1.034 1.00 0.00 S ATOM 0 HA CYS A 14 13.014 1.586 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.150 1.487 2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.010 2.890 3.276 1.00 0.00 H new ATOM 225 N THR A 15 11.857 0.955 5.898 1.00 0.00 N ATOM 226 CA THR A 15 11.264 0.390 7.150 1.00 0.00 C ATOM 227 C THR A 15 10.676 1.483 8.050 1.00 0.00 C ATOM 228 O THR A 15 9.902 1.203 8.944 1.00 0.00 O ATOM 229 CB THR A 15 12.430 -0.305 7.854 1.00 0.00 C ATOM 230 OG1 THR A 15 13.632 0.403 7.585 1.00 0.00 O ATOM 231 CG2 THR A 15 12.555 -1.740 7.342 1.00 0.00 C ATOM 0 H THR A 15 12.544 1.697 6.031 1.00 0.00 H new ATOM 0 HA THR A 15 10.439 -0.287 6.926 1.00 0.00 H new ATOM 0 HB THR A 15 12.250 -0.320 8.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.381 -0.040 8.037 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.386 -2.234 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.632 -2.282 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.736 -1.728 6.267 1.00 0.00 H new ATOM 239 N GLY A 16 11.034 2.718 7.840 1.00 0.00 N ATOM 240 CA GLY A 16 10.484 3.798 8.710 1.00 0.00 C ATOM 241 C GLY A 16 8.954 3.824 8.601 1.00 0.00 C ATOM 242 O GLY A 16 8.283 2.878 8.962 1.00 0.00 O ATOM 0 H GLY A 16 11.677 3.027 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.781 3.630 9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.895 4.762 8.412 1.00 0.00 H new ATOM 246 N LYS A 17 8.393 4.900 8.115 1.00 0.00 N ATOM 247 CA LYS A 17 6.904 4.979 7.995 1.00 0.00 C ATOM 248 C LYS A 17 6.510 5.556 6.632 1.00 0.00 C ATOM 249 O LYS A 17 7.353 5.872 5.817 1.00 0.00 O ATOM 250 CB LYS A 17 6.474 5.922 9.117 1.00 0.00 C ATOM 251 CG LYS A 17 5.460 5.219 10.018 1.00 0.00 C ATOM 252 CD LYS A 17 4.295 6.166 10.310 1.00 0.00 C ATOM 253 CE LYS A 17 3.585 6.519 9.001 1.00 0.00 C ATOM 254 NZ LYS A 17 2.325 7.196 9.417 1.00 0.00 N ATOM 0 H LYS A 17 8.899 5.727 7.796 1.00 0.00 H new ATOM 0 HA LYS A 17 6.429 4.001 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.342 6.229 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.036 6.827 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.094 4.313 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.936 4.913 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.595 5.696 11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.661 7.072 10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.199 7.174 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.377 5.626 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.782 7.469 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.758 6.547 9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.554 8.046 9.971 1.00 0.00 H new ATOM 268 N PHE A 18 5.234 5.692 6.371 1.00 0.00 N ATOM 269 CA PHE A 18 4.809 6.245 5.053 1.00 0.00 C ATOM 270 C PHE A 18 3.681 7.263 5.201 1.00 0.00 C ATOM 271 O PHE A 18 2.858 7.181 6.091 1.00 0.00 O ATOM 272 CB PHE A 18 4.327 5.039 4.266 1.00 0.00 C ATOM 273 CG PHE A 18 5.518 4.366 3.650 1.00 0.00 C ATOM 274 CD1 PHE A 18 5.959 4.748 2.381 1.00 0.00 C ATOM 275 CD2 PHE A 18 6.193 3.375 4.362 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.083 4.133 1.825 1.00 0.00 C ATOM 277 CE2 PHE A 18 7.314 2.755 3.807 1.00 0.00 C ATOM 278 CZ PHE A 18 7.762 3.135 2.537 1.00 0.00 C ATOM 0 H PHE A 18 4.476 5.446 7.008 1.00 0.00 H new ATOM 0 HA PHE A 18 5.627 6.773 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.797 4.347 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.624 5.348 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.433 5.515 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.848 3.087 5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.429 4.427 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.834 1.984 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.631 2.659 2.106 1.00 0.00 H new ATOM 288 N LYS A 19 3.636 8.217 4.313 1.00 0.00 N ATOM 289 CA LYS A 19 2.567 9.248 4.359 1.00 0.00 C ATOM 290 C LYS A 19 1.707 9.150 3.099 1.00 0.00 C ATOM 291 O LYS A 19 2.191 9.331 2.000 1.00 0.00 O ATOM 292 CB LYS A 19 3.313 10.579 4.376 1.00 0.00 C ATOM 293 CG LYS A 19 2.308 11.728 4.490 1.00 0.00 C ATOM 294 CD LYS A 19 3.044 13.063 4.377 1.00 0.00 C ATOM 295 CE LYS A 19 3.285 13.388 2.901 1.00 0.00 C ATOM 296 NZ LYS A 19 3.080 14.859 2.792 1.00 0.00 N ATOM 0 H LYS A 19 4.303 8.326 3.549 1.00 0.00 H new ATOM 0 HA LYS A 19 1.908 9.131 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.009 10.607 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.904 10.688 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.557 11.647 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.781 11.671 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.458 13.855 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.994 13.013 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.292 13.106 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.592 12.844 2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.228 15.158 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.111 15.097 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.758 15.351 3.409 1.00 0.00 H new ATOM 310 N VAL A 20 0.440 8.878 3.233 1.00 0.00 N ATOM 311 CA VAL A 20 -0.408 8.790 2.013 1.00 0.00 C ATOM 312 C VAL A 20 -0.358 10.132 1.281 1.00 0.00 C ATOM 313 O VAL A 20 -0.537 11.182 1.866 1.00 0.00 O ATOM 314 CB VAL A 20 -1.824 8.498 2.512 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.763 8.332 1.313 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.820 7.206 3.330 1.00 0.00 C ATOM 0 H VAL A 20 -0.039 8.715 4.119 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.073 8.017 1.321 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.166 9.325 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.772 8.124 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.767 9.249 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.418 7.504 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.829 6.998 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.478 6.381 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.150 7.317 4.183 1.00 0.00 H new ATOM 326 N VAL A 21 -0.125 10.098 0.005 1.00 0.00 N ATOM 327 CA VAL A 21 -0.065 11.347 -0.794 1.00 0.00 C ATOM 328 C VAL A 21 -1.350 11.422 -1.607 1.00 0.00 C ATOM 329 O VAL A 21 -1.842 12.480 -1.945 1.00 0.00 O ATOM 330 CB VAL A 21 1.173 11.170 -1.679 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.272 12.306 -2.696 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.423 11.181 -0.797 1.00 0.00 C ATOM 0 H VAL A 21 0.029 9.242 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 21 0.012 12.266 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 21 1.092 10.223 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.157 12.163 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.384 12.308 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.346 13.259 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.309 11.055 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.485 12.131 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.367 10.365 -0.077 1.00 0.00 H new ATOM 342 N LYS A 22 -1.912 10.277 -1.878 1.00 0.00 N ATOM 343 CA LYS A 22 -3.195 10.210 -2.621 1.00 0.00 C ATOM 344 C LYS A 22 -3.868 8.875 -2.306 1.00 0.00 C ATOM 345 O LYS A 22 -3.241 7.825 -2.322 1.00 0.00 O ATOM 346 CB LYS A 22 -2.842 10.314 -4.097 1.00 0.00 C ATOM 347 CG LYS A 22 -4.087 10.009 -4.931 1.00 0.00 C ATOM 348 CD LYS A 22 -3.665 9.341 -6.238 1.00 0.00 C ATOM 349 CE LYS A 22 -4.672 9.685 -7.338 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.925 9.501 -8.613 1.00 0.00 N ATOM 0 H LYS A 22 -1.527 9.371 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.884 11.008 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.472 11.313 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.044 9.614 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.760 9.356 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.634 10.928 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.669 9.677 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.611 8.260 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.544 9.032 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.034 10.708 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.549 9.718 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.104 10.140 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.599 8.516 -8.685 1.00 0.00 H new ATOM 364 N GLU A 23 -5.136 8.920 -2.006 1.00 0.00 N ATOM 365 CA GLU A 23 -5.883 7.678 -1.654 1.00 0.00 C ATOM 366 C GLU A 23 -5.700 6.602 -2.720 1.00 0.00 C ATOM 367 O GLU A 23 -5.423 6.886 -3.869 1.00 0.00 O ATOM 368 CB GLU A 23 -7.347 8.108 -1.576 1.00 0.00 C ATOM 369 CG GLU A 23 -8.057 7.304 -0.485 1.00 0.00 C ATOM 370 CD GLU A 23 -9.491 7.814 -0.325 1.00 0.00 C ATOM 371 OE1 GLU A 23 -10.334 7.405 -1.106 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.721 8.605 0.576 1.00 0.00 O ATOM 0 H GLU A 23 -5.694 9.774 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.526 7.245 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.413 9.174 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.836 7.948 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.063 6.245 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.519 7.398 0.458 1.00 0.00 H new ATOM 379 N ILE A 24 -5.858 5.365 -2.341 1.00 0.00 N ATOM 380 CA ILE A 24 -5.699 4.261 -3.323 1.00 0.00 C ATOM 381 C ILE A 24 -6.525 4.555 -4.578 1.00 0.00 C ATOM 382 O ILE A 24 -7.685 4.908 -4.505 1.00 0.00 O ATOM 383 CB ILE A 24 -6.205 2.997 -2.599 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.014 2.224 -2.032 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.963 2.084 -3.569 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.012 1.933 -3.154 1.00 0.00 C ATOM 0 H ILE A 24 -6.091 5.072 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.667 4.139 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.876 3.306 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.534 2.802 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.353 1.291 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.311 1.198 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.818 2.620 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.299 1.783 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.163 1.382 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.496 1.337 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.664 2.872 -3.583 1.00 0.00 H new ATOM 398 N ALA A 25 -5.937 4.385 -5.723 1.00 0.00 N ATOM 399 CA ALA A 25 -6.677 4.622 -6.985 1.00 0.00 C ATOM 400 C ALA A 25 -6.950 3.275 -7.644 1.00 0.00 C ATOM 401 O ALA A 25 -6.449 2.262 -7.207 1.00 0.00 O ATOM 402 CB ALA A 25 -5.741 5.469 -7.845 1.00 0.00 C ATOM 0 H ALA A 25 -4.968 4.090 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.633 5.123 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.221 5.686 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.519 6.403 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.814 4.923 -8.021 1.00 0.00 H new ATOM 408 N GLU A 26 -7.734 3.238 -8.680 1.00 0.00 N ATOM 409 CA GLU A 26 -8.011 1.929 -9.331 1.00 0.00 C ATOM 410 C GLU A 26 -7.485 1.924 -10.764 1.00 0.00 C ATOM 411 O GLU A 26 -7.706 2.847 -11.523 1.00 0.00 O ATOM 412 CB GLU A 26 -9.531 1.792 -9.311 1.00 0.00 C ATOM 413 CG GLU A 26 -10.165 3.084 -9.824 1.00 0.00 C ATOM 414 CD GLU A 26 -10.719 3.886 -8.644 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.806 3.563 -8.192 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.048 4.808 -8.213 1.00 0.00 O ATOM 0 H GLU A 26 -8.191 4.046 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.522 1.101 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.839 0.951 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.875 1.583 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.425 3.675 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.965 2.854 -10.528 1.00 0.00 H new ATOM 423 N THR A 27 -6.785 0.889 -11.140 1.00 0.00 N ATOM 424 CA THR A 27 -6.240 0.827 -12.526 1.00 0.00 C ATOM 425 C THR A 27 -7.243 0.141 -13.456 1.00 0.00 C ATOM 426 O THR A 27 -8.309 -0.270 -13.040 1.00 0.00 O ATOM 427 CB THR A 27 -4.956 0.003 -12.414 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.287 -1.371 -12.281 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.152 0.457 -11.193 1.00 0.00 C ATOM 0 H THR A 27 -6.567 0.086 -10.550 1.00 0.00 H new ATOM 0 HA THR A 27 -6.050 1.817 -12.940 1.00 0.00 H new ATOM 0 HB THR A 27 -4.355 0.149 -13.312 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.470 -1.891 -12.129 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.239 -0.133 -11.119 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.895 1.511 -11.298 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.749 0.317 -10.292 1.00 0.00 H new ATOM 437 N GLN A 28 -6.914 0.016 -14.712 1.00 0.00 N ATOM 438 CA GLN A 28 -7.853 -0.641 -15.666 1.00 0.00 C ATOM 439 C GLN A 28 -7.535 -2.135 -15.784 1.00 0.00 C ATOM 440 O GLN A 28 -7.754 -2.744 -16.812 1.00 0.00 O ATOM 441 CB GLN A 28 -7.615 0.065 -17.002 1.00 0.00 C ATOM 442 CG GLN A 28 -7.938 1.553 -16.858 1.00 0.00 C ATOM 443 CD GLN A 28 -9.404 1.795 -17.223 1.00 0.00 C ATOM 444 OE1 GLN A 28 -10.123 2.452 -16.498 1.00 0.00 O ATOM 445 NE2 GLN A 28 -9.881 1.287 -18.328 1.00 0.00 N ATOM 0 H GLN A 28 -6.037 0.340 -15.119 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.891 -0.565 -15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.579 -0.064 -17.314 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.239 -0.380 -17.777 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.748 1.880 -15.836 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.289 2.141 -17.507 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.278 0.735 -18.938 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.857 1.442 -18.581 1.00 0.00 H new ATOM 454 N HIS A 29 -7.021 -2.728 -14.742 1.00 0.00 N ATOM 455 CA HIS A 29 -6.693 -4.181 -14.801 1.00 0.00 C ATOM 456 C HIS A 29 -7.208 -4.895 -13.547 1.00 0.00 C ATOM 457 O HIS A 29 -6.938 -6.059 -13.329 1.00 0.00 O ATOM 458 CB HIS A 29 -5.166 -4.240 -14.861 1.00 0.00 C ATOM 459 CG HIS A 29 -4.734 -4.642 -16.244 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.529 -4.228 -16.790 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.334 -5.420 -17.203 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.444 -4.755 -18.026 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.518 -5.490 -18.327 1.00 0.00 N ATOM 0 H HIS A 29 -6.814 -2.271 -13.854 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.155 -4.672 -15.657 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.744 -3.269 -14.604 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.790 -4.955 -14.129 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.294 -5.904 -17.100 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.609 -4.602 -18.693 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.700 -5.994 -19.195 1.00 0.00 H new ATOM 471 N GLY A 30 -7.944 -4.204 -12.721 1.00 0.00 N ATOM 472 CA GLY A 30 -8.468 -4.841 -11.480 1.00 0.00 C ATOM 473 C GLY A 30 -7.530 -4.526 -10.315 1.00 0.00 C ATOM 474 O GLY A 30 -7.697 -5.018 -9.217 1.00 0.00 O ATOM 0 H GLY A 30 -8.205 -3.227 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.471 -4.473 -11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.547 -5.919 -11.617 1.00 0.00 H new ATOM 478 N THR A 31 -6.543 -3.703 -10.547 1.00 0.00 N ATOM 479 CA THR A 31 -5.589 -3.349 -9.459 1.00 0.00 C ATOM 480 C THR A 31 -5.966 -2.001 -8.847 1.00 0.00 C ATOM 481 O THR A 31 -6.976 -1.412 -9.178 1.00 0.00 O ATOM 482 CB THR A 31 -4.222 -3.245 -10.142 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.376 -3.387 -11.547 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.307 -4.350 -9.616 1.00 0.00 C ATOM 0 H THR A 31 -6.357 -3.260 -11.446 1.00 0.00 H new ATOM 0 HA THR A 31 -5.594 -4.086 -8.656 1.00 0.00 H new ATOM 0 HB THR A 31 -3.783 -2.271 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.495 -3.366 -11.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.333 -4.278 -10.101 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.185 -4.239 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.749 -5.322 -9.833 1.00 0.00 H new ATOM 492 N ILE A 32 -5.140 -1.501 -7.979 1.00 0.00 N ATOM 493 CA ILE A 32 -5.409 -0.178 -7.353 1.00 0.00 C ATOM 494 C ILE A 32 -4.075 0.525 -7.159 1.00 0.00 C ATOM 495 O ILE A 32 -3.040 -0.102 -7.174 1.00 0.00 O ATOM 496 CB ILE A 32 -6.096 -0.423 -5.998 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.226 -1.922 -5.704 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.492 0.200 -6.032 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.405 -2.135 -4.200 1.00 0.00 C ATOM 0 H ILE A 32 -4.280 -1.955 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.056 0.441 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.488 0.030 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.077 -2.337 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.339 -2.450 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.989 0.032 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.408 1.271 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.076 -0.259 -6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.497 -3.201 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.540 -1.736 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.305 -1.620 -3.864 1.00 0.00 H new ATOM 511 N VAL A 33 -4.070 1.813 -7.016 1.00 0.00 N ATOM 512 CA VAL A 33 -2.769 2.516 -6.873 1.00 0.00 C ATOM 513 C VAL A 33 -2.707 3.377 -5.615 1.00 0.00 C ATOM 514 O VAL A 33 -3.563 4.200 -5.366 1.00 0.00 O ATOM 515 CB VAL A 33 -2.704 3.391 -8.114 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.464 4.279 -8.047 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.643 2.497 -9.352 1.00 0.00 C ATOM 0 H VAL A 33 -4.899 2.407 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.938 1.817 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.589 4.024 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.417 4.907 -8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.516 4.910 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.572 3.655 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.596 3.117 -10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.756 1.866 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.533 1.869 -9.392 1.00 0.00 H new ATOM 527 N ILE A 34 -1.677 3.210 -4.832 1.00 0.00 N ATOM 528 CA ILE A 34 -1.538 4.032 -3.611 1.00 0.00 C ATOM 529 C ILE A 34 -0.374 4.997 -3.779 1.00 0.00 C ATOM 530 O ILE A 34 0.758 4.599 -3.933 1.00 0.00 O ATOM 531 CB ILE A 34 -1.303 3.034 -2.473 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.065 3.531 -1.262 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.186 2.916 -2.120 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.378 4.779 -0.718 1.00 0.00 C ATOM 0 H ILE A 34 -0.927 2.537 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.417 4.643 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.646 2.048 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.096 3.757 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.100 2.757 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.312 2.199 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.741 2.576 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.564 3.889 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.921 5.142 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.355 4.536 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.366 5.552 -1.486 1.00 0.00 H new ATOM 546 N ARG A 35 -0.644 6.260 -3.741 1.00 0.00 N ATOM 547 CA ARG A 35 0.449 7.247 -3.897 1.00 0.00 C ATOM 548 C ARG A 35 0.769 7.819 -2.526 1.00 0.00 C ATOM 549 O ARG A 35 -0.046 8.472 -1.905 1.00 0.00 O ATOM 550 CB ARG A 35 -0.105 8.298 -4.871 1.00 0.00 C ATOM 551 CG ARG A 35 0.259 9.717 -4.416 1.00 0.00 C ATOM 552 CD ARG A 35 0.069 10.693 -5.579 1.00 0.00 C ATOM 553 NE ARG A 35 1.445 11.138 -5.935 1.00 0.00 N ATOM 554 CZ ARG A 35 1.658 11.786 -7.049 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.664 12.050 -7.855 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.865 12.173 -7.357 1.00 0.00 N ATOM 0 H ARG A 35 -1.575 6.656 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 35 1.379 6.834 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.294 8.119 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.189 8.201 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.368 10.012 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.292 9.745 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.421 10.210 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.556 11.537 -5.288 1.00 0.00 H new ATOM 0 HE ARG A 35 2.223 10.936 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.281 11.750 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.833 12.556 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.642 11.970 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.032 12.679 -8.227 1.00 0.00 H new ATOM 570 N VAL A 36 1.942 7.561 -2.040 1.00 0.00 N ATOM 571 CA VAL A 36 2.305 8.066 -0.710 1.00 0.00 C ATOM 572 C VAL A 36 3.677 8.672 -0.769 1.00 0.00 C ATOM 573 O VAL A 36 4.255 8.833 -1.820 1.00 0.00 O ATOM 574 CB VAL A 36 2.269 6.846 0.216 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.084 5.954 -0.150 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.566 6.042 0.074 1.00 0.00 C ATOM 0 H VAL A 36 2.665 7.019 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 36 1.628 8.841 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 36 2.166 7.189 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.063 5.088 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.157 6.517 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.185 5.620 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.532 5.177 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.675 5.706 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.415 6.671 0.342 1.00 0.00 H new ATOM 586 N GLN A 37 4.190 9.014 0.348 1.00 0.00 N ATOM 587 CA GLN A 37 5.520 9.625 0.383 1.00 0.00 C ATOM 588 C GLN A 37 6.329 8.920 1.457 1.00 0.00 C ATOM 589 O GLN A 37 5.895 8.787 2.585 1.00 0.00 O ATOM 590 CB GLN A 37 5.222 11.068 0.748 1.00 0.00 C ATOM 591 CG GLN A 37 6.527 11.855 0.884 1.00 0.00 C ATOM 592 CD GLN A 37 6.254 13.342 0.655 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.237 14.121 1.587 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.037 13.774 -0.558 1.00 0.00 N ATOM 0 H GLN A 37 3.741 8.896 1.256 1.00 0.00 H new ATOM 0 HA GLN A 37 6.093 9.556 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.592 11.522 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.665 11.107 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.955 11.702 1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.259 11.494 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.051 13.121 -1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.854 14.764 -0.722 1.00 0.00 H new ATOM 603 N TYR A 38 7.482 8.436 1.126 1.00 0.00 N ATOM 604 CA TYR A 38 8.272 7.710 2.152 1.00 0.00 C ATOM 605 C TYR A 38 8.585 8.642 3.325 1.00 0.00 C ATOM 606 O TYR A 38 9.150 9.700 3.161 1.00 0.00 O ATOM 607 CB TYR A 38 9.555 7.271 1.444 1.00 0.00 C ATOM 608 CG TYR A 38 10.394 6.417 2.374 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.847 5.909 3.561 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.725 6.137 2.047 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.631 5.128 4.417 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.509 5.355 2.904 1.00 0.00 C ATOM 613 CZ TYR A 38 11.963 4.852 4.090 1.00 0.00 C ATOM 614 OH TYR A 38 12.737 4.083 4.934 1.00 0.00 O ATOM 0 H TYR A 38 7.911 8.507 0.203 1.00 0.00 H new ATOM 0 HA TYR A 38 7.733 6.855 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.309 6.709 0.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.123 8.146 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.819 6.121 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.148 6.525 1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.208 4.738 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.536 5.140 2.649 1.00 0.00 H new ATOM 0 HH TYR A 38 13.542 3.787 4.460 1.00 0.00 H new ATOM 624 N GLU A 39 8.213 8.254 4.512 1.00 0.00 N ATOM 625 CA GLU A 39 8.488 9.111 5.698 1.00 0.00 C ATOM 626 C GLU A 39 9.665 8.528 6.475 1.00 0.00 C ATOM 627 O GLU A 39 10.333 9.210 7.227 1.00 0.00 O ATOM 628 CB GLU A 39 7.210 9.054 6.536 1.00 0.00 C ATOM 629 CG GLU A 39 6.222 10.106 6.030 1.00 0.00 C ATOM 630 CD GLU A 39 6.827 11.500 6.202 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.432 11.739 7.235 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.676 12.306 5.299 1.00 0.00 O ATOM 0 H GLU A 39 7.729 7.379 4.713 1.00 0.00 H new ATOM 0 HA GLU A 39 8.745 10.136 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.765 8.061 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.442 9.233 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.989 9.926 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.284 10.034 6.581 1.00 0.00 H new ATOM 639 N GLY A 40 9.917 7.265 6.289 1.00 0.00 N ATOM 640 CA GLY A 40 11.043 6.609 7.001 1.00 0.00 C ATOM 641 C GLY A 40 12.372 7.170 6.502 1.00 0.00 C ATOM 642 O GLY A 40 12.423 8.195 5.852 1.00 0.00 O ATOM 0 H GLY A 40 9.386 6.654 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.950 6.772 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.009 5.532 6.838 1.00 0.00 H new ATOM 646 N ASP A 41 13.446 6.497 6.799 1.00 0.00 N ATOM 647 CA ASP A 41 14.782 6.977 6.342 1.00 0.00 C ATOM 648 C ASP A 41 15.615 5.799 5.835 1.00 0.00 C ATOM 649 O ASP A 41 16.276 5.122 6.598 1.00 0.00 O ATOM 650 CB ASP A 41 15.426 7.596 7.584 1.00 0.00 C ATOM 651 CG ASP A 41 15.779 9.057 7.301 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.334 9.318 6.247 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.488 9.890 8.145 1.00 0.00 O ATOM 0 H ASP A 41 13.459 5.632 7.340 1.00 0.00 H new ATOM 0 HA ASP A 41 14.709 7.693 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.742 7.533 8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.323 7.040 7.857 1.00 0.00 H new ATOM 658 N GLY A 42 15.587 5.541 4.555 1.00 0.00 N ATOM 659 CA GLY A 42 16.378 4.398 4.016 1.00 0.00 C ATOM 660 C GLY A 42 16.834 4.694 2.587 1.00 0.00 C ATOM 661 O GLY A 42 17.307 3.819 1.890 1.00 0.00 O ATOM 0 H GLY A 42 15.054 6.069 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.245 4.216 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.775 3.490 4.032 1.00 0.00 H new ATOM 665 N SER A 43 16.711 5.914 2.137 1.00 0.00 N ATOM 666 CA SER A 43 17.158 6.228 0.755 1.00 0.00 C ATOM 667 C SER A 43 16.607 5.161 -0.208 1.00 0.00 C ATOM 668 O SER A 43 15.638 4.503 0.114 1.00 0.00 O ATOM 669 CB SER A 43 18.678 6.177 0.866 1.00 0.00 C ATOM 670 OG SER A 43 19.250 7.182 0.040 1.00 0.00 O ATOM 0 H SER A 43 16.324 6.698 2.663 1.00 0.00 H new ATOM 0 HA SER A 43 16.812 7.187 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.982 6.327 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.042 5.194 0.566 1.00 0.00 H new ATOM 0 HG SER A 43 20.187 6.961 -0.143 1.00 0.00 H new ATOM 676 N PRO A 44 17.220 5.011 -1.361 1.00 0.00 N ATOM 677 CA PRO A 44 16.735 4.007 -2.332 1.00 0.00 C ATOM 678 C PRO A 44 16.383 2.705 -1.613 1.00 0.00 C ATOM 679 O PRO A 44 17.223 1.859 -1.375 1.00 0.00 O ATOM 680 CB PRO A 44 17.910 3.837 -3.285 1.00 0.00 C ATOM 681 CG PRO A 44 18.610 5.156 -3.247 1.00 0.00 C ATOM 682 CD PRO A 44 18.391 5.731 -1.869 1.00 0.00 C ATOM 0 HA PRO A 44 15.826 4.304 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.567 3.028 -2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.573 3.594 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.674 5.034 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.215 5.825 -4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.261 5.577 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.211 6.805 -1.910 1.00 0.00 H new ATOM 690 N CYS A 45 15.135 2.548 -1.270 1.00 0.00 N ATOM 691 CA CYS A 45 14.689 1.318 -0.568 1.00 0.00 C ATOM 692 C CYS A 45 13.295 0.925 -1.059 1.00 0.00 C ATOM 693 O CYS A 45 12.603 1.707 -1.682 1.00 0.00 O ATOM 694 CB CYS A 45 14.667 1.680 0.920 1.00 0.00 C ATOM 695 SG CYS A 45 13.572 3.089 1.229 1.00 0.00 S ATOM 0 H CYS A 45 14.398 3.230 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 45 15.346 0.469 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.333 0.821 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.676 1.919 1.255 1.00 0.00 H new ATOM 700 N LYS A 46 12.880 -0.283 -0.804 1.00 0.00 N ATOM 701 CA LYS A 46 11.541 -0.722 -1.285 1.00 0.00 C ATOM 702 C LYS A 46 10.447 -0.357 -0.293 1.00 0.00 C ATOM 703 O LYS A 46 10.683 -0.143 0.873 1.00 0.00 O ATOM 704 CB LYS A 46 11.642 -2.237 -1.441 1.00 0.00 C ATOM 705 CG LYS A 46 12.785 -2.589 -2.393 1.00 0.00 C ATOM 706 CD LYS A 46 13.520 -3.825 -1.872 1.00 0.00 C ATOM 707 CE LYS A 46 13.515 -4.914 -2.946 1.00 0.00 C ATOM 708 NZ LYS A 46 13.399 -6.194 -2.194 1.00 0.00 N ATOM 0 H LYS A 46 13.408 -0.984 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 46 11.277 -0.231 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.811 -2.701 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.703 -2.635 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.394 -2.779 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.476 -1.750 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.545 -3.566 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.039 -4.192 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.681 -4.784 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.428 -4.887 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.389 -6.990 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.210 -6.293 -1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.517 -6.194 -1.643 1.00 0.00 H new ATOM 722 N ILE A 47 9.248 -0.257 -0.769 1.00 0.00 N ATOM 723 CA ILE A 47 8.124 0.143 0.112 1.00 0.00 C ATOM 724 C ILE A 47 7.306 -1.066 0.575 1.00 0.00 C ATOM 725 O ILE A 47 6.819 -1.836 -0.229 1.00 0.00 O ATOM 726 CB ILE A 47 7.284 1.062 -0.775 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.219 1.979 -1.575 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.354 1.909 0.095 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.007 2.857 -0.609 1.00 0.00 C ATOM 0 H ILE A 47 8.993 -0.436 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 47 8.466 0.624 1.028 1.00 0.00 H new ATOM 0 HB ILE A 47 6.684 0.462 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.900 1.383 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.641 2.599 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.757 2.563 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.694 1.255 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.948 2.513 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.673 3.511 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.317 3.462 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.595 2.227 0.058 1.00 0.00 H new ATOM 741 N PRO A 48 7.178 -1.178 1.870 1.00 0.00 N ATOM 742 CA PRO A 48 6.400 -2.287 2.481 1.00 0.00 C ATOM 743 C PRO A 48 4.938 -2.245 2.032 1.00 0.00 C ATOM 744 O PRO A 48 4.379 -1.194 1.788 1.00 0.00 O ATOM 745 CB PRO A 48 6.485 -1.999 3.975 1.00 0.00 C ATOM 746 CG PRO A 48 7.685 -1.130 4.131 1.00 0.00 C ATOM 747 CD PRO A 48 7.744 -0.293 2.889 1.00 0.00 C ATOM 0 HA PRO A 48 6.783 -3.268 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.585 -1.498 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.587 -2.920 4.550 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.603 -0.505 5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.589 -1.728 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.166 0.625 2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.766 -0.000 2.647 1.00 0.00 H new ATOM 755 N PHE A 49 4.319 -3.384 1.927 1.00 0.00 N ATOM 756 CA PHE A 49 2.898 -3.437 1.503 1.00 0.00 C ATOM 757 C PHE A 49 2.245 -4.708 2.054 1.00 0.00 C ATOM 758 O PHE A 49 2.902 -5.709 2.258 1.00 0.00 O ATOM 759 CB PHE A 49 2.978 -3.501 -0.011 1.00 0.00 C ATOM 760 CG PHE A 49 1.746 -2.867 -0.618 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.586 -3.627 -0.814 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.763 -1.514 -0.981 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.553 -3.036 -1.373 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.623 -0.924 -1.539 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.534 -1.684 -1.736 1.00 0.00 C ATOM 0 H PHE A 49 4.743 -4.291 2.120 1.00 0.00 H new ATOM 0 HA PHE A 49 2.308 -2.592 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.873 -2.984 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.062 -4.538 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.570 -4.670 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.656 -0.926 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.447 -3.623 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.637 0.119 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.413 -1.228 -2.168 1.00 0.00 H new ATOM 775 N GLU A 50 0.962 -4.690 2.294 1.00 0.00 N ATOM 776 CA GLU A 50 0.303 -5.917 2.827 1.00 0.00 C ATOM 777 C GLU A 50 -1.216 -5.843 2.639 1.00 0.00 C ATOM 778 O GLU A 50 -1.889 -5.029 3.239 1.00 0.00 O ATOM 779 CB GLU A 50 0.668 -5.950 4.313 1.00 0.00 C ATOM 780 CG GLU A 50 -0.280 -6.894 5.057 1.00 0.00 C ATOM 781 CD GLU A 50 -0.171 -8.300 4.466 1.00 0.00 C ATOM 782 OE1 GLU A 50 -0.466 -8.453 3.292 1.00 0.00 O ATOM 783 OE2 GLU A 50 0.207 -9.202 5.197 1.00 0.00 O ATOM 0 H GLU A 50 0.348 -3.889 2.146 1.00 0.00 H new ATOM 0 HA GLU A 50 0.632 -6.817 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.699 -6.282 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.604 -4.947 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.031 -6.914 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.306 -6.533 4.977 1.00 0.00 H new ATOM 790 N ILE A 51 -1.758 -6.697 1.812 1.00 0.00 N ATOM 791 CA ILE A 51 -3.232 -6.692 1.586 1.00 0.00 C ATOM 792 C ILE A 51 -3.847 -7.973 2.156 1.00 0.00 C ATOM 793 O ILE A 51 -3.406 -9.067 1.862 1.00 0.00 O ATOM 794 CB ILE A 51 -3.404 -6.651 0.066 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.521 -5.546 -0.520 1.00 0.00 C ATOM 796 CG2 ILE A 51 -4.868 -6.363 -0.273 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.631 -5.560 -2.047 1.00 0.00 C ATOM 0 H ILE A 51 -1.242 -7.399 1.282 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.723 -5.849 2.072 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.113 -7.612 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.829 -4.575 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.484 -5.696 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.992 -6.334 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.499 -7.148 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.157 -5.402 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.002 -4.773 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.302 -6.527 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.667 -5.389 -2.339 1.00 0.00 H new ATOM 970 N GLY A 61 -4.950 -10.649 -1.938 1.00 0.00 N ATOM 971 CA GLY A 61 -4.634 -9.481 -2.808 1.00 0.00 C ATOM 972 C GLY A 61 -3.253 -9.676 -3.437 1.00 0.00 C ATOM 973 O GLY A 61 -2.475 -10.500 -3.001 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.390 -9.379 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.653 -8.562 -2.223 1.00 0.00 H new ATOM 977 N ARG A 62 -2.942 -8.925 -4.458 1.00 0.00 N ATOM 978 CA ARG A 62 -1.612 -9.074 -5.112 1.00 0.00 C ATOM 979 C ARG A 62 -0.952 -7.713 -5.293 1.00 0.00 C ATOM 980 O ARG A 62 -1.564 -6.681 -5.101 1.00 0.00 O ATOM 981 CB ARG A 62 -1.902 -9.690 -6.477 1.00 0.00 C ATOM 982 CG ARG A 62 -0.953 -10.863 -6.714 1.00 0.00 C ATOM 983 CD ARG A 62 0.295 -10.368 -7.448 1.00 0.00 C ATOM 984 NE ARG A 62 0.448 -11.286 -8.611 1.00 0.00 N ATOM 985 CZ ARG A 62 1.577 -11.327 -9.270 1.00 0.00 C ATOM 986 NH1 ARG A 62 2.574 -10.565 -8.910 1.00 0.00 N ATOM 987 NH2 ARG A 62 1.706 -12.132 -10.289 1.00 0.00 N ATOM 0 H ARG A 62 -3.551 -8.216 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.937 -9.687 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.937 -10.030 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.777 -8.942 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.673 -11.316 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.451 -11.635 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.177 -9.335 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.172 -10.400 -6.802 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.329 -11.883 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.473 -9.936 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.454 -10.599 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.927 -12.728 -10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.586 -12.166 -10.804 1.00 0.00 H new ATOM 1001 N LEU A 63 0.289 -7.706 -5.676 1.00 0.00 N ATOM 1002 CA LEU A 63 0.990 -6.423 -5.887 1.00 0.00 C ATOM 1003 C LEU A 63 1.554 -6.372 -7.307 1.00 0.00 C ATOM 1004 O LEU A 63 2.353 -7.200 -7.697 1.00 0.00 O ATOM 1005 CB LEU A 63 2.113 -6.409 -4.849 1.00 0.00 C ATOM 1006 CG LEU A 63 2.092 -5.076 -4.107 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.222 -3.941 -5.117 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.770 -4.934 -3.355 1.00 0.00 C ATOM 0 H LEU A 63 0.848 -8.540 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 63 0.333 -5.560 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.985 -7.232 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.077 -6.553 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 63 2.919 -5.037 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.208 -2.985 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.161 -4.043 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.390 -3.982 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.754 -3.982 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.057 -4.969 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.669 -5.750 -2.639 1.00 0.00 H new ATOM 1020 N ILE A 64 1.163 -5.394 -8.075 1.00 0.00 N ATOM 1021 CA ILE A 64 1.699 -5.278 -9.458 1.00 0.00 C ATOM 1022 C ILE A 64 3.014 -4.527 -9.371 1.00 0.00 C ATOM 1023 O ILE A 64 3.893 -4.652 -10.201 1.00 0.00 O ATOM 1024 CB ILE A 64 0.661 -4.461 -10.227 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.520 -5.355 -10.605 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.296 -3.894 -11.498 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.074 -6.037 -9.354 1.00 0.00 C ATOM 0 H ILE A 64 0.496 -4.671 -7.805 1.00 0.00 H new ATOM 0 HA ILE A 64 1.873 -6.237 -9.946 1.00 0.00 H new ATOM 0 HB ILE A 64 0.309 -3.643 -9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.300 -4.761 -11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.203 -6.105 -11.329 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.555 -3.312 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.136 -3.253 -11.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.650 -4.713 -12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.916 -6.673 -9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.294 -6.645 -8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.408 -5.280 -8.645 1.00 0.00 H new ATOM 1039 N THR A 65 3.139 -3.756 -8.336 1.00 0.00 N ATOM 1040 CA THR A 65 4.368 -2.976 -8.103 1.00 0.00 C ATOM 1041 C THR A 65 5.016 -3.501 -6.821 1.00 0.00 C ATOM 1042 O THR A 65 5.527 -2.756 -6.012 1.00 0.00 O ATOM 1043 CB THR A 65 3.848 -1.548 -7.937 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.544 -1.005 -9.215 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.893 -0.684 -7.256 1.00 0.00 C ATOM 0 H THR A 65 2.418 -3.633 -7.625 1.00 0.00 H new ATOM 0 HA THR A 65 5.118 -3.038 -8.892 1.00 0.00 H new ATOM 0 HB THR A 65 2.949 -1.567 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.209 -0.090 -9.110 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.510 0.330 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.122 -1.096 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.800 -0.665 -7.861 1.00 0.00 H new ATOM 1053 N VAL A 66 4.958 -4.797 -6.640 1.00 0.00 N ATOM 1054 CA VAL A 66 5.525 -5.444 -5.415 1.00 0.00 C ATOM 1055 C VAL A 66 6.638 -4.601 -4.802 1.00 0.00 C ATOM 1056 O VAL A 66 7.526 -4.135 -5.485 1.00 0.00 O ATOM 1057 CB VAL A 66 6.069 -6.793 -5.888 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.085 -7.333 -4.875 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.911 -7.785 -6.016 1.00 0.00 C ATOM 0 H VAL A 66 4.534 -5.447 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 66 4.768 -5.554 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 66 6.559 -6.664 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.467 -8.294 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.911 -6.628 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.601 -7.461 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.293 -8.749 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.426 -7.905 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.188 -7.408 -6.739 1.00 0.00 H new ATOM 1069 N ASN A 67 6.575 -4.416 -3.514 1.00 0.00 N ATOM 1070 CA ASN A 67 7.601 -3.613 -2.796 1.00 0.00 C ATOM 1071 C ASN A 67 8.185 -2.510 -3.687 1.00 0.00 C ATOM 1072 O ASN A 67 9.336 -2.570 -4.072 1.00 0.00 O ATOM 1073 CB ASN A 67 8.679 -4.621 -2.379 1.00 0.00 C ATOM 1074 CG ASN A 67 9.204 -5.389 -3.596 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.296 -6.689 -3.537 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 9.547 -4.804 -4.602 1.00 0.00 N flip ATOM 0 H ASN A 67 5.840 -4.796 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 67 7.174 -3.095 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.502 -4.099 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.267 -5.321 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.476 -3.788 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.906 -5.329 -5.400 1.00 0.00 H new ATOM 1083 N PRO A 68 7.376 -1.523 -3.968 1.00 0.00 N ATOM 1084 CA PRO A 68 7.843 -0.395 -4.803 1.00 0.00 C ATOM 1085 C PRO A 68 9.090 0.191 -4.148 1.00 0.00 C ATOM 1086 O PRO A 68 9.555 -0.334 -3.163 1.00 0.00 O ATOM 1087 CB PRO A 68 6.688 0.607 -4.798 1.00 0.00 C ATOM 1088 CG PRO A 68 5.641 0.059 -3.868 1.00 0.00 C ATOM 1089 CD PRO A 68 5.989 -1.369 -3.536 1.00 0.00 C ATOM 0 HA PRO A 68 8.103 -0.678 -5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.028 1.587 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.284 0.736 -5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.593 0.658 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.657 0.109 -4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.883 -1.565 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.333 -2.067 -4.055 1.00 0.00 H new ATOM 1097 N ILE A 69 9.644 1.258 -4.661 1.00 0.00 N ATOM 1098 CA ILE A 69 10.868 1.813 -4.006 1.00 0.00 C ATOM 1099 C ILE A 69 10.917 3.340 -4.074 1.00 0.00 C ATOM 1100 O ILE A 69 10.532 3.947 -5.054 1.00 0.00 O ATOM 1101 CB ILE A 69 12.058 1.267 -4.800 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.062 -0.275 -4.782 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.350 1.817 -4.176 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.490 -0.803 -4.574 1.00 0.00 C ATOM 0 H ILE A 69 9.313 1.760 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 69 10.878 1.528 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 69 11.984 1.584 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.413 -0.638 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.659 -0.657 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.210 1.439 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.340 2.906 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.417 1.497 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.477 -1.893 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.128 -0.456 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.879 -0.436 -3.624 1.00 0.00 H new ATOM 1116 N VAL A 70 11.461 3.955 -3.058 1.00 0.00 N ATOM 1117 CA VAL A 70 11.625 5.439 -3.082 1.00 0.00 C ATOM 1118 C VAL A 70 13.087 5.728 -3.404 1.00 0.00 C ATOM 1119 O VAL A 70 13.938 4.882 -3.208 1.00 0.00 O ATOM 1120 CB VAL A 70 11.283 5.944 -1.680 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.249 7.474 -1.688 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.914 5.414 -1.268 1.00 0.00 C ATOM 0 H VAL A 70 11.799 3.495 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 70 10.986 5.924 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 70 12.037 5.596 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.005 7.838 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.225 7.858 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.493 7.817 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.670 5.774 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.161 5.764 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.931 4.324 -1.267 1.00 0.00 H new ATOM 1132 N THR A 71 13.399 6.888 -3.905 1.00 0.00 N ATOM 1133 CA THR A 71 14.823 7.170 -4.240 1.00 0.00 C ATOM 1134 C THR A 71 15.402 8.275 -3.357 1.00 0.00 C ATOM 1135 O THR A 71 16.603 8.451 -3.289 1.00 0.00 O ATOM 1136 CB THR A 71 14.811 7.611 -5.702 1.00 0.00 C ATOM 1137 OG1 THR A 71 14.021 6.708 -6.462 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.241 7.619 -6.238 1.00 0.00 C ATOM 0 H THR A 71 12.742 7.644 -4.096 1.00 0.00 H new ATOM 0 HA THR A 71 15.447 6.292 -4.075 1.00 0.00 H new ATOM 0 HB THR A 71 14.388 8.613 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.011 6.991 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.237 7.933 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.845 8.312 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.663 6.617 -6.163 1.00 0.00 H new ATOM 1146 N GLU A 72 14.581 9.037 -2.689 1.00 0.00 N ATOM 1147 CA GLU A 72 15.144 10.127 -1.840 1.00 0.00 C ATOM 1148 C GLU A 72 14.446 10.201 -0.483 1.00 0.00 C ATOM 1149 O GLU A 72 14.553 11.186 0.221 1.00 0.00 O ATOM 1150 CB GLU A 72 14.897 11.404 -2.637 1.00 0.00 C ATOM 1151 CG GLU A 72 15.512 11.253 -4.026 1.00 0.00 C ATOM 1152 CD GLU A 72 15.840 12.634 -4.594 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.344 13.457 -3.847 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.584 12.847 -5.768 1.00 0.00 O ATOM 0 H GLU A 72 13.564 8.957 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 72 16.200 9.963 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.827 11.595 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.336 12.259 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.416 10.647 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.819 10.732 -4.687 1.00 0.00 H new ATOM 1161 N LYS A 73 13.738 9.174 -0.103 1.00 0.00 N ATOM 1162 CA LYS A 73 13.040 9.192 1.217 1.00 0.00 C ATOM 1163 C LYS A 73 11.848 10.152 1.194 1.00 0.00 C ATOM 1164 O LYS A 73 11.105 10.242 2.144 1.00 0.00 O ATOM 1165 CB LYS A 73 14.089 9.668 2.224 1.00 0.00 C ATOM 1166 CG LYS A 73 13.807 9.047 3.592 1.00 0.00 C ATOM 1167 CD LYS A 73 13.854 10.136 4.665 1.00 0.00 C ATOM 1168 CE LYS A 73 12.601 11.009 4.563 1.00 0.00 C ATOM 1169 NZ LYS A 73 12.770 12.051 5.614 1.00 0.00 N ATOM 0 H LYS A 73 13.611 8.322 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 73 12.643 8.210 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.086 9.388 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.071 10.755 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.829 8.565 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.543 8.274 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.915 9.684 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.747 10.748 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.512 11.457 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.697 10.423 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.949 12.689 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.845 11.595 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.634 12.597 5.425 1.00 0.00 H new ATOM 1183 N ASP A 74 11.661 10.873 0.127 1.00 0.00 N ATOM 1184 CA ASP A 74 10.516 11.817 0.065 1.00 0.00 C ATOM 1185 C ASP A 74 9.848 11.752 -1.309 1.00 0.00 C ATOM 1186 O ASP A 74 8.868 12.422 -1.561 1.00 0.00 O ATOM 1187 CB ASP A 74 11.136 13.189 0.299 1.00 0.00 C ATOM 1188 CG ASP A 74 10.067 14.156 0.814 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.863 14.196 2.016 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.472 14.839 -0.003 1.00 0.00 O ATOM 0 H ASP A 74 12.252 10.849 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 74 9.743 11.585 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.950 13.113 1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.566 13.567 -0.628 1.00 0.00 H new ATOM 1195 N SER A 75 10.364 10.947 -2.198 1.00 0.00 N ATOM 1196 CA SER A 75 9.747 10.840 -3.547 1.00 0.00 C ATOM 1197 C SER A 75 8.425 10.080 -3.438 1.00 0.00 C ATOM 1198 O SER A 75 8.411 8.901 -3.144 1.00 0.00 O ATOM 1199 CB SER A 75 10.759 10.052 -4.378 1.00 0.00 C ATOM 1200 OG SER A 75 10.279 9.925 -5.709 1.00 0.00 O ATOM 0 H SER A 75 11.185 10.361 -2.047 1.00 0.00 H new ATOM 0 HA SER A 75 9.528 11.809 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.723 10.560 -4.374 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.916 9.066 -3.941 1.00 0.00 H new ATOM 0 HG SER A 75 10.927 9.421 -6.244 1.00 0.00 H new ATOM 1206 N PRO A 76 7.350 10.784 -3.671 1.00 0.00 N ATOM 1207 CA PRO A 76 6.011 10.161 -3.583 1.00 0.00 C ATOM 1208 C PRO A 76 6.000 8.845 -4.367 1.00 0.00 C ATOM 1209 O PRO A 76 6.362 8.804 -5.526 1.00 0.00 O ATOM 1210 CB PRO A 76 5.087 11.191 -4.226 1.00 0.00 C ATOM 1211 CG PRO A 76 5.805 12.499 -4.108 1.00 0.00 C ATOM 1212 CD PRO A 76 7.282 12.202 -4.039 1.00 0.00 C ATOM 0 HA PRO A 76 5.711 9.918 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.889 10.944 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.123 11.225 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.582 13.137 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.480 13.036 -3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.770 12.389 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.780 12.829 -3.299 1.00 0.00 H new ATOM 1220 N VAL A 77 5.600 7.766 -3.748 1.00 0.00 N ATOM 1221 CA VAL A 77 5.592 6.463 -4.478 1.00 0.00 C ATOM 1222 C VAL A 77 4.166 5.933 -4.663 1.00 0.00 C ATOM 1223 O VAL A 77 3.376 5.901 -3.741 1.00 0.00 O ATOM 1224 CB VAL A 77 6.404 5.515 -3.612 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.432 4.144 -4.281 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.830 6.047 -3.495 1.00 0.00 C ATOM 0 H VAL A 77 5.282 7.729 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 77 6.009 6.567 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 77 5.959 5.436 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.012 3.453 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.414 3.769 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.890 4.229 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.420 5.372 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.277 6.112 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.813 7.037 -3.039 1.00 0.00 H new ATOM 1236 N ASN A 78 3.844 5.499 -5.854 1.00 0.00 N ATOM 1237 CA ASN A 78 2.484 4.947 -6.120 1.00 0.00 C ATOM 1238 C ASN A 78 2.549 3.414 -6.090 1.00 0.00 C ATOM 1239 O ASN A 78 3.419 2.829 -6.704 1.00 0.00 O ATOM 1240 CB ASN A 78 2.133 5.438 -7.525 1.00 0.00 C ATOM 1241 CG ASN A 78 2.469 6.926 -7.645 1.00 0.00 C ATOM 1242 OD1 ASN A 78 1.616 7.770 -7.459 1.00 0.00 O ATOM 1243 ND2 ASN A 78 3.686 7.286 -7.949 1.00 0.00 N ATOM 0 H ASN A 78 4.470 5.504 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 78 1.744 5.261 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.688 4.868 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.074 5.276 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.920 8.275 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.403 6.578 -8.105 1.00 0.00 H new ATOM 1250 N ILE A 79 1.665 2.736 -5.392 1.00 0.00 N ATOM 1251 CA ILE A 79 1.776 1.246 -5.385 1.00 0.00 C ATOM 1252 C ILE A 79 0.581 0.589 -6.073 1.00 0.00 C ATOM 1253 O ILE A 79 -0.555 0.736 -5.670 1.00 0.00 O ATOM 1254 CB ILE A 79 1.849 0.838 -3.918 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.921 1.681 -3.212 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.218 -0.646 -3.845 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.174 1.135 -1.804 1.00 0.00 C ATOM 0 H ILE A 79 0.900 3.134 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 79 2.657 0.920 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 79 0.889 1.002 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.846 1.665 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.599 2.721 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.275 -0.956 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.458 -1.236 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.184 -0.805 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.936 1.739 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.250 1.174 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.517 0.102 -1.870 1.00 0.00 H new ATOM 1269 N GLU A 80 0.856 -0.145 -7.112 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.218 -0.849 -7.864 1.00 0.00 C ATOM 1271 C GLU A 80 -0.398 -2.268 -7.313 1.00 0.00 C ATOM 1272 O GLU A 80 0.512 -3.073 -7.348 1.00 0.00 O ATOM 1273 CB GLU A 80 0.287 -0.895 -9.307 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.765 -1.559 -10.193 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.367 -0.519 -11.139 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.153 0.659 -10.905 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.030 -0.918 -12.081 1.00 0.00 O ATOM 0 H GLU A 80 1.797 -0.290 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.184 -0.350 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.494 0.114 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.224 -1.450 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.314 -2.369 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.548 -2.002 -9.577 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.558 -2.585 -6.801 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.772 -3.958 -6.249 1.00 0.00 C ATOM 1286 C ALA A 81 -3.124 -4.517 -6.694 1.00 0.00 C ATOM 1287 O ALA A 81 -4.055 -3.785 -6.958 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.730 -3.788 -4.728 1.00 0.00 C ATOM 0 H ALA A 81 -2.361 -1.959 -6.741 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.017 -4.660 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.880 -4.756 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.761 -3.384 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.519 -3.103 -4.417 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.234 -5.816 -6.782 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.524 -6.428 -7.213 1.00 0.00 C ATOM 1296 C GLU A 82 -5.280 -6.981 -6.001 1.00 0.00 C ATOM 1297 O GLU A 82 -4.951 -8.033 -5.490 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.118 -7.559 -8.157 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.349 -8.387 -8.526 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.408 -8.568 -10.044 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.361 -8.505 -10.669 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -6.497 -8.765 -10.556 1.00 0.00 O ATOM 0 H GLU A 82 -2.487 -6.479 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.187 -5.709 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.661 -7.148 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.370 -8.193 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.307 -9.359 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.253 -7.891 -8.173 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.271 -6.244 -5.583 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.088 -6.654 -4.415 1.00 0.00 C ATOM 1311 C PRO A 83 -7.987 -7.841 -4.777 1.00 0.00 C ATOM 1312 O PRO A 83 -8.376 -8.001 -5.917 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.928 -5.417 -4.106 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.963 -4.633 -5.380 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.715 -4.970 -6.154 1.00 0.00 C ATOM 0 HA PRO A 83 -6.483 -6.976 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.933 -5.694 -3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.487 -4.834 -3.298 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.852 -4.882 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.008 -3.564 -5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.920 -5.062 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.955 -4.197 -6.041 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.289 -8.631 -3.784 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.155 -9.819 -3.989 1.00 0.00 C ATOM 1325 C PRO A 84 -10.550 -9.385 -4.451 1.00 0.00 C ATOM 1326 O PRO A 84 -10.875 -9.450 -5.620 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.220 -10.478 -2.610 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.753 -9.438 -1.640 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.854 -8.495 -2.393 1.00 0.00 C ATOM 0 HA PRO A 84 -8.772 -10.495 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.235 -10.801 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.586 -11.364 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.601 -8.902 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.217 -9.899 -0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.963 -7.470 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.804 -8.763 -2.274 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.287 -3.375 3.163 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.400 -2.322 3.735 1.00 0.00 C ATOM 1389 C TYR A 89 -5.953 -2.557 3.294 1.00 0.00 C ATOM 1390 O TYR A 89 -5.252 -3.379 3.849 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.520 -2.467 5.254 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.965 -2.688 5.635 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.896 -1.652 5.482 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.374 -3.927 6.142 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.235 -1.858 5.835 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.713 -4.132 6.495 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.643 -3.097 6.342 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.963 -3.299 6.690 1.00 0.00 O ATOM 0 HA TYR A 89 -7.684 -1.324 3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.912 -3.304 5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.138 -1.572 5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.581 -0.695 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.656 -4.725 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.953 -1.060 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.028 -5.088 6.885 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.077 -4.213 7.023 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.499 -1.840 2.303 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.095 -2.024 1.839 1.00 0.00 C ATOM 1410 C ILE A 90 -3.137 -1.398 2.854 1.00 0.00 C ATOM 1411 O ILE A 90 -3.253 -0.239 3.196 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.021 -1.291 0.497 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.654 -2.161 -0.591 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.558 -1.018 0.141 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.964 -1.524 -1.058 1.00 0.00 C ATOM 0 H ILE A 90 -6.037 -1.137 1.796 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.817 -3.073 1.737 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.559 -0.346 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.968 -2.266 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.842 -3.163 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.507 -0.496 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.104 -0.401 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.019 -1.963 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.414 -2.144 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.650 -1.442 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.763 -0.531 -1.460 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.196 -2.156 3.346 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.245 -1.595 4.345 1.00 0.00 C ATOM 1429 C ILE A 91 0.042 -1.139 3.661 1.00 0.00 C ATOM 1430 O ILE A 91 0.509 -1.747 2.717 1.00 0.00 O ATOM 1431 CB ILE A 91 -0.958 -2.740 5.312 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.204 -3.021 6.155 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.201 -2.349 6.230 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.034 -4.352 6.890 1.00 0.00 C ATOM 0 H ILE A 91 -2.045 -3.135 3.101 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.657 -0.724 4.855 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.692 -3.635 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.360 -2.215 6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.087 -3.056 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.408 -3.165 6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.088 -2.148 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.067 -1.455 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.921 -4.552 7.490 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.899 -5.154 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.161 -4.300 7.540 1.00 0.00 H new ATOM 1446 N ILE A 92 0.618 -0.071 4.135 1.00 0.00 N ATOM 1447 CA ILE A 92 1.877 0.438 3.526 1.00 0.00 C ATOM 1448 C ILE A 92 2.917 0.677 4.622 1.00 0.00 C ATOM 1449 O ILE A 92 2.608 1.192 5.675 1.00 0.00 O ATOM 1450 CB ILE A 92 1.467 1.754 2.848 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.219 1.497 1.363 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.565 2.814 2.999 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.436 2.668 0.776 1.00 0.00 C ATOM 0 H ILE A 92 0.269 0.474 4.923 1.00 0.00 H new ATOM 0 HA ILE A 92 2.326 -0.257 2.817 1.00 0.00 H new ATOM 0 HB ILE A 92 0.560 2.123 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.167 1.379 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.663 0.569 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.250 3.736 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.742 3.006 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.484 2.454 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.256 2.490 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.518 2.765 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.010 3.587 0.897 1.00 0.00 H new ATOM 1465 N GLY A 93 4.145 0.311 4.391 1.00 0.00 N ATOM 1466 CA GLY A 93 5.171 0.533 5.436 1.00 0.00 C ATOM 1467 C GLY A 93 5.174 -0.655 6.387 1.00 0.00 C ATOM 1468 O GLY A 93 4.647 -1.709 6.087 1.00 0.00 O ATOM 0 H GLY A 93 4.477 -0.128 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.154 0.652 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.959 1.452 5.982 1.00 0.00 H new ATOM 1472 N VAL A 94 5.762 -0.505 7.527 1.00 0.00 N ATOM 1473 CA VAL A 94 5.800 -1.642 8.483 1.00 0.00 C ATOM 1474 C VAL A 94 5.072 -1.276 9.769 1.00 0.00 C ATOM 1475 O VAL A 94 5.120 -0.145 10.210 1.00 0.00 O ATOM 1476 CB VAL A 94 7.287 -1.920 8.747 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.746 -3.037 7.808 1.00 0.00 C ATOM 1478 CG2 VAL A 94 8.127 -0.664 8.479 1.00 0.00 C ATOM 0 H VAL A 94 6.219 0.350 7.844 1.00 0.00 H new ATOM 0 HA VAL A 94 5.302 -2.525 8.083 1.00 0.00 H new ATOM 0 HB VAL A 94 7.418 -2.212 9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.801 -3.248 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.160 -3.936 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.604 -2.724 6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.178 -0.881 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.004 -0.359 7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.797 0.141 9.135 1.00 0.00 H new ATOM 1488 N GLU A 95 4.392 -2.238 10.357 1.00 0.00 N ATOM 1489 CA GLU A 95 3.623 -2.012 11.627 1.00 0.00 C ATOM 1490 C GLU A 95 4.017 -0.699 12.302 1.00 0.00 C ATOM 1491 O GLU A 95 3.185 0.163 12.495 1.00 0.00 O ATOM 1492 CB GLU A 95 3.986 -3.199 12.521 1.00 0.00 C ATOM 1493 CG GLU A 95 2.815 -4.183 12.563 1.00 0.00 C ATOM 1494 CD GLU A 95 3.349 -5.615 12.501 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.714 -6.045 11.418 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.385 -6.258 13.537 1.00 0.00 O ATOM 0 H GLU A 95 4.338 -3.192 10.000 1.00 0.00 H new ATOM 0 HA GLU A 95 2.552 -1.941 11.435 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.878 -3.695 12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.219 -2.852 13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.237 -4.038 13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.141 -3.998 11.727 1.00 0.00 H new ATOM 1503 N PRO A 96 5.279 -0.591 12.631 1.00 0.00 N ATOM 1504 CA PRO A 96 5.810 0.637 13.280 1.00 0.00 C ATOM 1505 C PRO A 96 5.393 1.909 12.521 1.00 0.00 C ATOM 1506 O PRO A 96 6.193 2.531 11.851 1.00 0.00 O ATOM 1507 CB PRO A 96 7.334 0.453 13.220 1.00 0.00 C ATOM 1508 CG PRO A 96 7.572 -0.752 12.365 1.00 0.00 C ATOM 1509 CD PRO A 96 6.332 -1.590 12.450 1.00 0.00 C ATOM 0 HA PRO A 96 5.429 0.762 14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.817 1.334 12.796 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.749 0.311 14.218 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.773 -0.462 11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.441 -1.309 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.179 -2.180 11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.373 -2.290 13.284 1.00 0.00 H new ATOM 1517 N GLY A 97 4.155 2.314 12.642 1.00 0.00 N ATOM 1518 CA GLY A 97 3.698 3.557 11.951 1.00 0.00 C ATOM 1519 C GLY A 97 3.241 3.256 10.519 1.00 0.00 C ATOM 1520 O GLY A 97 2.790 4.136 9.813 1.00 0.00 O ATOM 0 H GLY A 97 3.440 1.837 13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.878 4.007 12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.509 4.285 11.932 1.00 0.00 H new ATOM 1524 N GLN A 98 3.344 2.032 10.078 1.00 0.00 N ATOM 1525 CA GLN A 98 2.906 1.704 8.686 1.00 0.00 C ATOM 1526 C GLN A 98 1.565 2.396 8.382 1.00 0.00 C ATOM 1527 O GLN A 98 0.866 2.831 9.276 1.00 0.00 O ATOM 1528 CB GLN A 98 2.798 0.166 8.677 1.00 0.00 C ATOM 1529 CG GLN A 98 1.377 -0.305 8.334 1.00 0.00 C ATOM 1530 CD GLN A 98 1.204 -1.758 8.778 1.00 0.00 C ATOM 1531 OE1 GLN A 98 0.240 -2.094 9.436 1.00 0.00 O ATOM 1532 NE2 GLN A 98 2.105 -2.641 8.444 1.00 0.00 N ATOM 0 H GLN A 98 3.710 1.247 10.616 1.00 0.00 H new ATOM 0 HA GLN A 98 3.593 2.052 7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.501 -0.243 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 98 3.084 -0.224 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.642 0.329 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.201 -0.217 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.915 -2.359 7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.999 -3.613 8.736 1.00 0.00 H new ATOM 1541 N LEU A 99 1.206 2.508 7.129 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.080 3.181 6.781 1.00 0.00 C ATOM 1543 C LEU A 99 -1.183 2.150 6.520 1.00 0.00 C ATOM 1544 O LEU A 99 -0.948 0.958 6.506 1.00 0.00 O ATOM 1545 CB LEU A 99 0.218 3.964 5.504 1.00 0.00 C ATOM 1546 CG LEU A 99 0.627 5.394 5.859 1.00 0.00 C ATOM 1547 CD1 LEU A 99 1.055 6.125 4.588 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.561 6.125 6.490 1.00 0.00 C ATOM 0 H LEU A 99 1.746 2.164 6.335 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.432 3.821 7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.016 3.476 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.661 3.976 4.860 1.00 0.00 H new ATOM 0 HG LEU A 99 1.456 5.371 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.348 7.145 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.900 5.605 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.224 6.147 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.269 7.144 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.390 6.150 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.871 5.602 7.394 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.385 2.613 6.306 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.521 1.683 6.038 1.00 0.00 C ATOM 1562 C LYS A 100 -4.574 2.383 5.178 1.00 0.00 C ATOM 1563 O LYS A 100 -4.992 3.486 5.469 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.091 1.345 7.412 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.071 -0.171 7.611 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.939 -0.488 9.102 1.00 0.00 C ATOM 1567 CE LYS A 100 -2.553 -1.075 9.380 1.00 0.00 C ATOM 1568 NZ LYS A 100 -1.966 -0.195 10.428 1.00 0.00 N ATOM 0 H LYS A 100 -2.631 3.603 6.305 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.208 0.789 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.505 1.833 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.111 1.721 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.985 -0.613 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.239 -0.610 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.087 0.417 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.712 -1.195 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.623 -2.107 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.939 -1.081 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.968 -0.449 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.030 0.797 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.490 -0.318 11.318 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.005 1.756 4.118 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.028 2.396 3.242 1.00 0.00 C ATOM 1584 C LEU A 101 -7.161 1.412 2.938 1.00 0.00 C ATOM 1585 O LEU A 101 -6.938 0.329 2.434 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.278 2.761 1.960 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.200 3.799 2.277 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -2.844 3.104 2.407 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.137 4.829 1.147 1.00 0.00 C ATOM 0 H LEU A 101 -4.694 0.831 3.821 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.484 3.267 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.824 1.870 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.973 3.157 1.220 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.443 4.300 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.076 3.844 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.887 2.369 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.601 2.603 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.369 5.569 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.894 4.327 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.103 5.325 1.053 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.376 1.783 3.240 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.524 0.871 2.969 1.00 0.00 C ATOM 1603 C ASN A 102 -10.032 1.071 1.539 1.00 0.00 C ATOM 1604 O ASN A 102 -10.295 2.179 1.114 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.598 1.278 3.979 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.893 0.522 3.678 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.834 -0.638 3.083 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -12.971 0.993 3.985 1.00 0.00 N flip ATOM 0 H ASN A 102 -8.623 2.678 3.663 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.249 -0.179 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.262 1.057 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.772 2.353 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.018 1.900 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.829 0.482 3.778 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.171 0.010 0.791 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.663 0.147 -0.608 1.00 0.00 C ATOM 1617 C TRP A 103 -11.695 -0.940 -0.916 1.00 0.00 C ATOM 1618 O TRP A 103 -11.872 -1.874 -0.159 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.424 -0.028 -1.487 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.747 0.390 -2.885 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.965 -0.455 -3.917 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -9.892 1.737 -3.420 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.235 0.287 -5.053 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.202 1.644 -4.797 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.788 3.018 -2.849 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.400 2.781 -5.580 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.987 4.165 -3.635 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.292 4.046 -4.998 1.00 0.00 C ATOM 0 H TRP A 103 -9.965 -0.944 1.088 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.151 1.107 -0.779 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.600 0.570 -1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.098 -1.068 -1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.934 -1.533 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.434 -0.118 -5.968 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.554 3.120 -1.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.635 2.684 -6.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.905 5.144 -3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.443 4.932 -5.597 1.00 0.00 H new