USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 19 THR OG1 : rot -14:sc= -0.844 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 26 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.106 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 130:sc= 1.23 (180deg=0.53) USER MOD Single : A 40 ASN : amide:sc= -0.0598 K(o=-0.06,f=-2!) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc=-0.00594 (180deg=-0.143) USER MOD Single : A 47 THR OG1 : rot -87:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.0624 K(o=0.062,f=-3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 73 ASN : amide:sc= -1.66! K(o=-1.7!,f=-1.1) USER MOD Single : A 76 THR OG1 : rot 90:sc= 1.05 USER MOD Single : A 78 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.96) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 87 ASN : amide:sc= -1.02 K(o=-1,f=-0.37) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.731 12.167 6.478 1.00 0.00 N ATOM 246 CA ARG A 16 3.622 13.088 5.330 1.00 0.00 C ATOM 247 C ARG A 16 2.566 12.525 4.367 1.00 0.00 C ATOM 248 O ARG A 16 2.640 11.353 3.988 1.00 0.00 O ATOM 249 CB ARG A 16 4.985 13.271 4.599 1.00 0.00 C ATOM 250 CG ARG A 16 4.920 14.253 3.400 1.00 0.00 C ATOM 251 CD ARG A 16 6.243 14.364 2.620 1.00 0.00 C ATOM 252 NE ARG A 16 6.646 13.084 1.999 1.00 0.00 N ATOM 253 CZ ARG A 16 6.275 12.660 0.777 1.00 0.00 C ATOM 254 NH1 ARG A 16 5.470 13.387 0.005 1.00 0.00 N ATOM 255 NH2 ARG A 16 6.746 11.518 0.320 1.00 0.00 N ATOM 0 HA ARG A 16 3.327 14.074 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.725 13.631 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.331 12.300 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.133 13.930 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.640 15.241 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.141 15.123 1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.031 14.701 3.294 1.00 0.00 H new ATOM 0 HE ARG A 16 7.255 12.472 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.121 14.286 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.202 13.045 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.385 10.965 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.472 11.187 -0.605 1.00 0.00 H new ATOM 269 N GLU A 17 1.574 13.346 3.996 1.00 0.00 N ATOM 270 CA GLU A 17 0.476 12.904 3.133 1.00 0.00 C ATOM 271 C GLU A 17 0.973 12.745 1.685 1.00 0.00 C ATOM 272 O GLU A 17 1.298 13.727 1.022 1.00 0.00 O ATOM 273 CB GLU A 17 -0.695 13.921 3.213 1.00 0.00 C ATOM 274 CG GLU A 17 -1.930 13.577 2.364 1.00 0.00 C ATOM 275 CD GLU A 17 -3.051 14.622 2.503 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.862 14.526 3.448 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.126 15.553 1.672 1.00 0.00 O ATOM 0 H GLU A 17 1.512 14.323 4.283 1.00 0.00 H new ATOM 0 HA GLU A 17 0.114 11.934 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.005 14.010 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.325 14.899 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.637 13.500 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.310 12.600 2.661 1.00 0.00 H new ATOM 284 N ILE A 18 1.069 11.493 1.235 1.00 0.00 N ATOM 285 CA ILE A 18 1.234 11.148 -0.179 1.00 0.00 C ATOM 286 C ILE A 18 -0.142 10.798 -0.759 1.00 0.00 C ATOM 287 O ILE A 18 -1.138 10.748 -0.028 1.00 0.00 O ATOM 288 CB ILE A 18 2.219 9.934 -0.388 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.625 8.605 0.193 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.603 10.240 0.230 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.432 7.366 -0.123 1.00 0.00 C ATOM 0 H ILE A 18 1.034 10.680 1.849 1.00 0.00 H new ATOM 0 HA ILE A 18 1.668 12.007 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 18 2.348 9.792 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.541 8.702 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.615 8.474 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.267 9.390 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.027 11.123 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.492 10.423 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.948 6.494 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.495 7.239 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.436 7.471 0.289 1.00 0.00 H new ATOM 303 N THR A 19 -0.193 10.586 -2.072 1.00 0.00 N ATOM 304 CA THR A 19 -1.346 9.958 -2.741 1.00 0.00 C ATOM 305 C THR A 19 -0.946 8.555 -3.248 1.00 0.00 C ATOM 306 O THR A 19 0.247 8.205 -3.227 1.00 0.00 O ATOM 307 CB THR A 19 -1.889 10.856 -3.903 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.834 11.237 -4.789 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.581 12.120 -3.372 1.00 0.00 C ATOM 0 H THR A 19 0.561 10.843 -2.709 1.00 0.00 H new ATOM 0 HA THR A 19 -2.157 9.851 -2.021 1.00 0.00 H new ATOM 0 HB THR A 19 -2.623 10.259 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.031 11.043 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.943 12.716 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.421 11.836 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.870 12.707 -2.790 1.00 0.00 H new ATOM 317 N TRP A 20 -1.956 7.773 -3.691 1.00 0.00 N ATOM 318 CA TRP A 20 -1.780 6.384 -4.178 1.00 0.00 C ATOM 319 C TRP A 20 -0.707 6.299 -5.286 1.00 0.00 C ATOM 320 O TRP A 20 0.067 5.346 -5.309 1.00 0.00 O ATOM 321 CB TRP A 20 -3.142 5.806 -4.657 1.00 0.00 C ATOM 322 CG TRP A 20 -3.089 4.429 -5.296 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.146 4.154 -6.630 1.00 0.00 C ATOM 324 CD2 TRP A 20 -2.992 3.152 -4.636 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.089 2.806 -6.841 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.993 2.166 -5.637 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.908 2.751 -3.306 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.907 0.808 -5.350 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.823 1.404 -3.018 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.824 0.445 -4.035 1.00 0.00 C ATOM 0 H TRP A 20 -2.925 8.090 -3.721 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.422 5.776 -3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.817 5.763 -3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.578 6.502 -5.374 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.225 4.897 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.114 2.349 -7.753 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.909 3.483 -2.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.906 0.068 -6.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.754 1.085 -1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.758 -0.602 -3.777 1.00 0.00 H new ATOM 341 N LYS A 21 -0.650 7.310 -6.172 1.00 0.00 N ATOM 342 CA LYS A 21 0.385 7.387 -7.228 1.00 0.00 C ATOM 343 C LYS A 21 1.821 7.388 -6.650 1.00 0.00 C ATOM 344 O LYS A 21 2.676 6.644 -7.136 1.00 0.00 O ATOM 345 CB LYS A 21 0.155 8.612 -8.150 1.00 0.00 C ATOM 346 CG LYS A 21 0.270 9.989 -7.467 1.00 0.00 C ATOM 347 CD LYS A 21 -0.110 11.170 -8.394 1.00 0.00 C ATOM 348 CE LYS A 21 0.779 11.298 -9.650 1.00 0.00 C ATOM 349 NZ LYS A 21 0.303 12.387 -10.566 1.00 0.00 N ATOM 0 H LYS A 21 -1.309 8.089 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 21 0.287 6.483 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.875 8.570 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.837 8.529 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.374 10.005 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.292 10.127 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.147 11.053 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.052 12.098 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.806 11.501 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.787 10.350 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.927 12.440 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.668 12.181 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.320 13.297 -10.062 1.00 0.00 H new ATOM 363 N ASP A 22 2.072 8.201 -5.603 1.00 0.00 N ATOM 364 CA ASP A 22 3.395 8.295 -4.953 1.00 0.00 C ATOM 365 C ASP A 22 3.756 6.986 -4.252 1.00 0.00 C ATOM 366 O ASP A 22 4.930 6.583 -4.209 1.00 0.00 O ATOM 367 CB ASP A 22 3.408 9.444 -3.928 1.00 0.00 C ATOM 368 CG ASP A 22 3.035 10.811 -4.525 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.797 11.332 -5.365 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.975 11.365 -4.164 1.00 0.00 O ATOM 0 H ASP A 22 1.366 8.808 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 22 4.134 8.493 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.713 9.208 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.401 9.511 -3.483 1.00 0.00 H new ATOM 375 N PHE A 23 2.724 6.337 -3.696 1.00 0.00 N ATOM 376 CA PHE A 23 2.857 5.012 -3.106 1.00 0.00 C ATOM 377 C PHE A 23 3.345 3.996 -4.159 1.00 0.00 C ATOM 378 O PHE A 23 4.408 3.419 -3.993 1.00 0.00 O ATOM 379 CB PHE A 23 1.527 4.552 -2.446 1.00 0.00 C ATOM 380 CG PHE A 23 1.552 3.091 -1.997 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.509 2.644 -1.089 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.648 2.173 -2.510 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.562 1.322 -0.719 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.694 0.853 -2.133 1.00 0.00 C ATOM 385 CZ PHE A 23 1.652 0.426 -1.239 1.00 0.00 C ATOM 0 H PHE A 23 1.780 6.720 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 23 3.607 5.065 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.318 5.187 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.710 4.694 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.217 3.344 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.102 2.500 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.315 0.985 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.020 0.150 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.690 -0.613 -0.945 1.00 0.00 H new ATOM 395 N VAL A 24 2.588 3.833 -5.258 1.00 0.00 N ATOM 396 CA VAL A 24 2.882 2.831 -6.299 1.00 0.00 C ATOM 397 C VAL A 24 4.280 3.037 -6.909 1.00 0.00 C ATOM 398 O VAL A 24 5.118 2.140 -6.851 1.00 0.00 O ATOM 399 CB VAL A 24 1.798 2.856 -7.439 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.123 1.851 -8.572 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.400 2.593 -6.848 1.00 0.00 C ATOM 0 H VAL A 24 1.756 4.391 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 24 2.859 1.856 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 24 1.808 3.850 -7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.348 1.902 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.087 2.101 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.162 0.842 -8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.342 2.613 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.387 1.616 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.164 3.364 -6.114 1.00 0.00 H new ATOM 411 N ASN A 25 4.507 4.237 -7.445 1.00 0.00 N ATOM 412 CA ASN A 25 5.729 4.581 -8.199 1.00 0.00 C ATOM 413 C ASN A 25 6.990 4.470 -7.331 1.00 0.00 C ATOM 414 O ASN A 25 7.924 3.738 -7.659 1.00 0.00 O ATOM 415 CB ASN A 25 5.614 6.029 -8.758 1.00 0.00 C ATOM 416 CG ASN A 25 4.430 6.225 -9.715 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.041 5.311 -10.433 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.847 7.419 -9.727 1.00 0.00 N ATOM 0 H ASN A 25 3.846 5.010 -7.371 1.00 0.00 H new ATOM 0 HA ASN A 25 5.820 3.867 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.516 6.725 -7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.537 6.283 -9.279 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.054 7.593 -10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.192 8.161 -9.118 1.00 0.00 H new ATOM 425 N ASN A 26 6.988 5.199 -6.210 1.00 0.00 N ATOM 426 CA ASN A 26 8.191 5.408 -5.392 1.00 0.00 C ATOM 427 C ASN A 26 8.438 4.264 -4.401 1.00 0.00 C ATOM 428 O ASN A 26 9.589 3.917 -4.120 1.00 0.00 O ATOM 429 CB ASN A 26 8.069 6.750 -4.616 1.00 0.00 C ATOM 430 CG ASN A 26 7.836 7.967 -5.521 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.071 8.871 -5.177 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.529 8.035 -6.653 1.00 0.00 N ATOM 0 H ASN A 26 6.155 5.660 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 26 9.042 5.437 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.247 6.675 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.978 6.908 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.435 8.849 -7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.155 7.273 -6.914 1.00 0.00 H new ATOM 439 N TYR A 27 7.355 3.669 -3.865 1.00 0.00 N ATOM 440 CA TYR A 27 7.434 2.832 -2.645 1.00 0.00 C ATOM 441 C TYR A 27 7.099 1.344 -2.919 1.00 0.00 C ATOM 442 O TYR A 27 7.953 0.464 -2.706 1.00 0.00 O ATOM 443 CB TYR A 27 6.506 3.430 -1.544 1.00 0.00 C ATOM 444 CG TYR A 27 6.814 4.895 -1.166 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.135 5.362 -1.058 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.793 5.811 -0.913 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.407 6.673 -0.717 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.067 7.124 -0.568 1.00 0.00 C ATOM 449 CZ TYR A 27 7.373 7.548 -0.472 1.00 0.00 C ATOM 450 OH TYR A 27 7.649 8.849 -0.112 1.00 0.00 O ATOM 0 H TYR A 27 6.416 3.750 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 27 8.466 2.846 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.473 3.367 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.584 2.814 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.954 4.683 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.765 5.489 -0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.430 7.011 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.258 7.813 -0.375 1.00 0.00 H new ATOM 0 HH TYR A 27 8.498 9.127 -0.515 1.00 0.00 H new ATOM 460 N LEU A 28 5.855 1.078 -3.368 1.00 0.00 N ATOM 461 CA LEU A 28 5.339 -0.285 -3.641 1.00 0.00 C ATOM 462 C LEU A 28 6.192 -1.000 -4.708 1.00 0.00 C ATOM 463 O LEU A 28 6.637 -2.134 -4.498 1.00 0.00 O ATOM 464 CB LEU A 28 3.856 -0.194 -4.107 1.00 0.00 C ATOM 465 CG LEU A 28 3.147 -1.540 -4.495 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.043 -2.509 -3.295 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.755 -1.272 -5.107 1.00 0.00 C ATOM 0 H LEU A 28 5.170 1.811 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 28 5.397 -0.870 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.279 0.276 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.812 0.473 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 28 3.768 -2.025 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.546 -3.426 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.043 -2.745 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.467 -2.040 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.284 -2.220 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.134 -0.745 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.863 -0.662 -6.004 1.00 0.00 H new ATOM 479 N SER A 29 6.406 -0.312 -5.845 1.00 0.00 N ATOM 480 CA SER A 29 7.225 -0.808 -6.968 1.00 0.00 C ATOM 481 C SER A 29 8.679 -1.107 -6.566 1.00 0.00 C ATOM 482 O SER A 29 9.346 -1.905 -7.225 1.00 0.00 O ATOM 483 CB SER A 29 7.191 0.221 -8.120 1.00 0.00 C ATOM 484 OG SER A 29 7.964 -0.185 -9.241 1.00 0.00 O ATOM 0 H SER A 29 6.011 0.614 -6.012 1.00 0.00 H new ATOM 0 HA SER A 29 6.793 -1.755 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.158 0.376 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.561 1.180 -7.757 1.00 0.00 H new ATOM 0 HG SER A 29 7.908 0.498 -9.941 1.00 0.00 H new ATOM 490 N LYS A 30 9.173 -0.465 -5.499 1.00 0.00 N ATOM 491 CA LYS A 30 10.547 -0.680 -5.010 1.00 0.00 C ATOM 492 C LYS A 30 10.577 -1.666 -3.818 1.00 0.00 C ATOM 493 O LYS A 30 11.659 -2.067 -3.390 1.00 0.00 O ATOM 494 CB LYS A 30 11.201 0.676 -4.623 1.00 0.00 C ATOM 495 CG LYS A 30 11.812 1.496 -5.792 1.00 0.00 C ATOM 496 CD LYS A 30 10.768 2.090 -6.761 1.00 0.00 C ATOM 497 CE LYS A 30 11.425 2.944 -7.865 1.00 0.00 C ATOM 498 NZ LYS A 30 10.426 3.497 -8.824 1.00 0.00 N ATOM 0 H LYS A 30 8.640 0.212 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 30 11.125 -1.128 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.449 1.291 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.986 0.482 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.410 2.308 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.491 0.855 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.197 1.282 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.061 2.702 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.977 3.764 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.149 2.337 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.584 4.519 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.530 3.025 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.466 3.334 -8.458 1.00 0.00 H new ATOM 512 N GLY A 31 9.386 -2.072 -3.331 1.00 0.00 N ATOM 513 CA GLY A 31 9.246 -2.948 -2.151 1.00 0.00 C ATOM 514 C GLY A 31 9.922 -2.420 -0.887 1.00 0.00 C ATOM 515 O GLY A 31 10.369 -3.199 -0.033 1.00 0.00 O ATOM 0 H GLY A 31 8.494 -1.801 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.185 -3.094 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.663 -3.927 -2.389 1.00 0.00 H new ATOM 519 N VAL A 32 9.966 -1.080 -0.761 1.00 0.00 N ATOM 520 CA VAL A 32 10.562 -0.407 0.414 1.00 0.00 C ATOM 521 C VAL A 32 9.560 -0.357 1.586 1.00 0.00 C ATOM 522 O VAL A 32 9.878 0.166 2.645 1.00 0.00 O ATOM 523 CB VAL A 32 11.056 1.046 0.076 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.067 1.051 -1.086 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.891 2.016 -0.196 1.00 0.00 C ATOM 0 H VAL A 32 9.595 -0.438 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 32 11.430 -0.998 0.708 1.00 0.00 H new ATOM 0 HB VAL A 32 11.571 1.408 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.384 2.074 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.935 0.449 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.599 0.633 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.287 3.005 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.307 1.655 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.253 2.075 0.686 1.00 0.00 H new ATOM 535 N VAL A 33 8.361 -0.921 1.368 1.00 0.00 N ATOM 536 CA VAL A 33 7.231 -0.864 2.306 1.00 0.00 C ATOM 537 C VAL A 33 7.164 -2.170 3.123 1.00 0.00 C ATOM 538 O VAL A 33 7.151 -3.256 2.540 1.00 0.00 O ATOM 539 CB VAL A 33 5.884 -0.654 1.507 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.673 -0.416 2.431 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.024 0.489 0.484 1.00 0.00 C ATOM 0 H VAL A 33 8.147 -1.440 0.516 1.00 0.00 H new ATOM 0 HA VAL A 33 7.372 -0.026 2.989 1.00 0.00 H new ATOM 0 HB VAL A 33 5.692 -1.583 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.776 -0.278 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.541 -1.277 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.845 0.476 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.084 0.614 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.270 1.415 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.817 0.248 -0.224 1.00 0.00 H new ATOM 551 N ASP A 34 7.099 -2.053 4.463 1.00 0.00 N ATOM 552 CA ASP A 34 6.971 -3.199 5.380 1.00 0.00 C ATOM 553 C ASP A 34 5.525 -3.694 5.387 1.00 0.00 C ATOM 554 O ASP A 34 5.276 -4.893 5.292 1.00 0.00 O ATOM 555 CB ASP A 34 7.371 -2.788 6.825 1.00 0.00 C ATOM 556 CG ASP A 34 7.309 -3.941 7.845 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.229 -4.787 7.851 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.341 -4.008 8.638 1.00 0.00 O ATOM 0 H ASP A 34 7.134 -1.153 4.942 1.00 0.00 H new ATOM 0 HA ASP A 34 7.635 -3.992 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.383 -2.384 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.713 -1.986 7.159 1.00 0.00 H new ATOM 563 N ARG A 35 4.585 -2.738 5.513 1.00 0.00 N ATOM 564 CA ARG A 35 3.148 -3.028 5.662 1.00 0.00 C ATOM 565 C ARG A 35 2.293 -1.784 5.356 1.00 0.00 C ATOM 566 O ARG A 35 2.791 -0.648 5.321 1.00 0.00 O ATOM 567 CB ARG A 35 2.848 -3.538 7.097 1.00 0.00 C ATOM 568 CG ARG A 35 3.144 -2.499 8.193 1.00 0.00 C ATOM 569 CD ARG A 35 2.935 -3.035 9.606 1.00 0.00 C ATOM 570 NE ARG A 35 3.203 -2.001 10.619 1.00 0.00 N ATOM 571 CZ ARG A 35 4.352 -1.853 11.295 1.00 0.00 C ATOM 572 NH1 ARG A 35 5.390 -2.660 11.076 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.465 -0.875 12.174 1.00 0.00 N ATOM 0 H ARG A 35 4.802 -1.741 5.514 1.00 0.00 H new ATOM 0 HA ARG A 35 2.887 -3.805 4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.800 -3.830 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.440 -4.433 7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.174 -2.157 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.503 -1.630 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.911 -3.394 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.591 -3.889 9.773 1.00 0.00 H new ATOM 0 HE ARG A 35 2.452 -1.342 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.319 -3.406 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.255 -2.531 11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.683 -0.240 12.334 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.335 -0.754 12.693 1.00 0.00 H new ATOM 587 N LEU A 36 0.991 -2.029 5.136 1.00 0.00 N ATOM 588 CA LEU A 36 -0.019 -0.996 4.878 1.00 0.00 C ATOM 589 C LEU A 36 -1.072 -1.024 5.990 1.00 0.00 C ATOM 590 O LEU A 36 -1.928 -1.910 6.034 1.00 0.00 O ATOM 591 CB LEU A 36 -0.666 -1.230 3.492 1.00 0.00 C ATOM 592 CG LEU A 36 0.237 -0.907 2.272 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.505 -1.203 0.959 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.746 0.556 2.331 1.00 0.00 C ATOM 0 H LEU A 36 0.605 -2.973 5.133 1.00 0.00 H new ATOM 0 HA LEU A 36 0.451 -0.013 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.977 -2.273 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.569 -0.623 3.425 1.00 0.00 H new ATOM 0 HG LEU A 36 1.114 -1.554 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.143 -0.971 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.780 -2.257 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.406 -0.591 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.377 0.757 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.105 1.238 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.324 0.703 3.243 1.00 0.00 H new ATOM 606 N GLU A 37 -0.988 -0.038 6.886 1.00 0.00 N ATOM 607 CA GLU A 37 -1.826 0.050 8.081 1.00 0.00 C ATOM 608 C GLU A 37 -3.130 0.793 7.748 1.00 0.00 C ATOM 609 O GLU A 37 -3.140 2.020 7.670 1.00 0.00 O ATOM 610 CB GLU A 37 -1.029 0.780 9.193 1.00 0.00 C ATOM 611 CG GLU A 37 0.371 0.187 9.468 1.00 0.00 C ATOM 612 CD GLU A 37 1.158 0.972 10.531 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.435 2.175 10.312 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.495 0.404 11.588 1.00 0.00 O ATOM 0 H GLU A 37 -0.325 0.733 6.799 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.092 -0.946 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.918 1.828 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.609 0.754 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.264 -0.848 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.942 0.171 8.539 1.00 0.00 H new ATOM 621 N VAL A 38 -4.233 0.044 7.569 1.00 0.00 N ATOM 622 CA VAL A 38 -5.523 0.634 7.159 1.00 0.00 C ATOM 623 C VAL A 38 -6.268 1.050 8.432 1.00 0.00 C ATOM 624 O VAL A 38 -6.981 0.245 9.048 1.00 0.00 O ATOM 625 CB VAL A 38 -6.389 -0.361 6.308 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.670 0.315 5.767 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.558 -0.982 5.169 1.00 0.00 C ATOM 0 H VAL A 38 -4.259 -0.967 7.701 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.337 1.496 6.518 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.706 -1.168 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.243 -0.406 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.275 0.669 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.396 1.159 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.182 -1.667 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.190 -0.192 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.713 -1.527 5.590 1.00 0.00 H new ATOM 637 N VAL A 39 -6.052 2.308 8.841 1.00 0.00 N ATOM 638 CA VAL A 39 -6.507 2.815 10.136 1.00 0.00 C ATOM 639 C VAL A 39 -7.888 3.470 9.983 1.00 0.00 C ATOM 640 O VAL A 39 -8.056 4.410 9.196 1.00 0.00 O ATOM 641 CB VAL A 39 -5.464 3.823 10.740 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.862 4.278 12.162 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.043 3.211 10.728 1.00 0.00 C ATOM 0 H VAL A 39 -5.556 3.001 8.280 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.595 1.980 10.831 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.460 4.711 10.108 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.115 4.974 12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.833 4.771 12.128 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.919 3.410 12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.336 3.925 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.035 2.298 11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.755 2.979 9.703 1.00 0.00 H new ATOM 653 N ASN A 40 -8.867 2.911 10.718 1.00 0.00 N ATOM 654 CA ASN A 40 -10.277 3.351 10.725 1.00 0.00 C ATOM 655 C ASN A 40 -10.916 3.289 9.342 1.00 0.00 C ATOM 656 O ASN A 40 -11.972 3.885 9.117 1.00 0.00 O ATOM 657 CB ASN A 40 -10.425 4.763 11.363 1.00 0.00 C ATOM 658 CG ASN A 40 -10.083 4.790 12.856 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.226 4.036 13.326 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.747 5.647 13.615 1.00 0.00 N ATOM 0 H ASN A 40 -8.696 2.121 11.340 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.824 2.644 11.349 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.776 5.463 10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.449 5.111 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.556 5.696 14.616 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.450 6.258 13.199 1.00 0.00 H new ATOM 667 N LYS A 41 -10.279 2.507 8.443 1.00 0.00 N ATOM 668 CA LYS A 41 -10.755 2.233 7.087 1.00 0.00 C ATOM 669 C LYS A 41 -11.028 3.520 6.259 1.00 0.00 C ATOM 670 O LYS A 41 -11.742 3.485 5.250 1.00 0.00 O ATOM 671 CB LYS A 41 -11.984 1.264 7.158 1.00 0.00 C ATOM 672 CG LYS A 41 -11.666 -0.182 7.653 1.00 0.00 C ATOM 673 CD LYS A 41 -11.285 -0.267 9.152 1.00 0.00 C ATOM 674 CE LYS A 41 -11.079 -1.706 9.642 1.00 0.00 C ATOM 675 NZ LYS A 41 -12.313 -2.524 9.516 1.00 0.00 N ATOM 0 H LYS A 41 -9.397 2.041 8.655 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.958 1.735 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.732 1.700 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.433 1.200 6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.535 -0.815 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.848 -0.587 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.371 0.302 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.068 0.204 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.277 -2.171 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.760 -1.691 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.187 -3.423 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.117 -2.005 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.500 -2.718 8.511 1.00 0.00 H new ATOM 689 N ARG A 42 -10.409 4.644 6.675 1.00 0.00 N ATOM 690 CA ARG A 42 -10.527 5.956 6.005 1.00 0.00 C ATOM 691 C ARG A 42 -9.225 6.304 5.275 1.00 0.00 C ATOM 692 O ARG A 42 -9.239 6.996 4.249 1.00 0.00 O ATOM 693 CB ARG A 42 -10.874 7.046 7.049 1.00 0.00 C ATOM 694 CG ARG A 42 -12.271 6.882 7.688 1.00 0.00 C ATOM 695 CD ARG A 42 -12.573 7.955 8.745 1.00 0.00 C ATOM 696 NE ARG A 42 -13.912 7.785 9.327 1.00 0.00 N ATOM 697 CZ ARG A 42 -14.549 8.686 10.093 1.00 0.00 C ATOM 698 NH1 ARG A 42 -13.983 9.860 10.388 1.00 0.00 N ATOM 699 NH2 ARG A 42 -15.767 8.409 10.550 1.00 0.00 N ATOM 0 H ARG A 42 -9.805 4.666 7.497 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.327 5.907 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.121 7.032 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.817 8.024 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.030 6.925 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.342 5.896 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.824 7.908 9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.496 8.943 8.292 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.398 6.910 9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.054 10.083 10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.480 10.534 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.209 7.519 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.259 9.086 11.132 1.00 0.00 H new ATOM 713 N PHE A 43 -8.111 5.784 5.794 1.00 0.00 N ATOM 714 CA PHE A 43 -6.774 6.048 5.254 1.00 0.00 C ATOM 715 C PHE A 43 -5.845 4.873 5.562 1.00 0.00 C ATOM 716 O PHE A 43 -6.097 4.080 6.480 1.00 0.00 O ATOM 717 CB PHE A 43 -6.191 7.382 5.812 1.00 0.00 C ATOM 718 CG PHE A 43 -5.995 7.427 7.332 1.00 0.00 C ATOM 719 CD1 PHE A 43 -7.078 7.629 8.185 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.729 7.271 7.902 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.908 7.674 9.552 1.00 0.00 C ATOM 722 CE2 PHE A 43 -4.559 7.318 9.272 1.00 0.00 C ATOM 723 CZ PHE A 43 -5.648 7.518 10.098 1.00 0.00 C ATOM 0 H PHE A 43 -8.110 5.165 6.605 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.855 6.156 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.230 7.568 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.854 8.198 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.067 7.752 7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.873 7.112 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.760 7.831 10.197 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.574 7.198 9.698 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.515 7.552 11.169 1.00 0.00 H new ATOM 733 N VAL A 44 -4.764 4.778 4.778 1.00 0.00 N ATOM 734 CA VAL A 44 -3.763 3.719 4.898 1.00 0.00 C ATOM 735 C VAL A 44 -2.391 4.368 5.097 1.00 0.00 C ATOM 736 O VAL A 44 -2.011 5.265 4.337 1.00 0.00 O ATOM 737 CB VAL A 44 -3.741 2.802 3.625 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.697 1.683 3.767 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.137 2.221 3.326 1.00 0.00 C ATOM 0 H VAL A 44 -4.560 5.445 4.034 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.015 3.089 5.751 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.454 3.424 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.704 1.063 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.708 2.122 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.938 1.069 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.086 1.591 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.473 1.626 4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.841 3.035 3.153 1.00 0.00 H new ATOM 749 N ARG A 45 -1.649 3.901 6.107 1.00 0.00 N ATOM 750 CA ARG A 45 -0.329 4.433 6.432 1.00 0.00 C ATOM 751 C ARG A 45 0.731 3.522 5.811 1.00 0.00 C ATOM 752 O ARG A 45 0.743 2.307 6.059 1.00 0.00 O ATOM 753 CB ARG A 45 -0.140 4.538 7.968 1.00 0.00 C ATOM 754 CG ARG A 45 -1.248 5.339 8.692 1.00 0.00 C ATOM 755 CD ARG A 45 -0.952 5.552 10.193 1.00 0.00 C ATOM 756 NE ARG A 45 -0.625 4.290 10.900 1.00 0.00 N ATOM 757 CZ ARG A 45 -0.865 4.028 12.204 1.00 0.00 C ATOM 758 NH1 ARG A 45 -1.470 4.926 12.986 1.00 0.00 N ATOM 759 NH2 ARG A 45 -0.459 2.868 12.710 1.00 0.00 N ATOM 0 H ARG A 45 -1.950 3.143 6.720 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.228 5.439 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.102 3.533 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.823 5.006 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.363 6.309 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.198 4.815 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.120 6.248 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.818 6.015 10.667 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.179 3.554 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.758 5.825 12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.644 4.712 13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.024 2.194 12.116 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.631 2.652 13.692 1.00 0.00 H new ATOM 773 N VAL A 46 1.611 4.123 5.006 1.00 0.00 N ATOM 774 CA VAL A 46 2.710 3.404 4.374 1.00 0.00 C ATOM 775 C VAL A 46 3.842 3.311 5.397 1.00 0.00 C ATOM 776 O VAL A 46 4.491 4.316 5.723 1.00 0.00 O ATOM 777 CB VAL A 46 3.214 4.118 3.068 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.344 3.327 2.377 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.047 4.380 2.096 1.00 0.00 C ATOM 0 H VAL A 46 1.579 5.117 4.778 1.00 0.00 H new ATOM 0 HA VAL A 46 2.367 2.415 4.071 1.00 0.00 H new ATOM 0 HB VAL A 46 3.631 5.080 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.662 3.856 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.189 3.229 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.981 2.336 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.423 4.875 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.584 3.433 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.307 5.018 2.579 1.00 0.00 H new ATOM 789 N THR A 47 4.043 2.100 5.922 1.00 0.00 N ATOM 790 CA THR A 47 5.163 1.798 6.801 1.00 0.00 C ATOM 791 C THR A 47 6.274 1.255 5.917 1.00 0.00 C ATOM 792 O THR A 47 6.018 0.363 5.123 1.00 0.00 O ATOM 793 CB THR A 47 4.774 0.725 7.868 1.00 0.00 C ATOM 794 OG1 THR A 47 3.606 1.138 8.588 1.00 0.00 O ATOM 795 CG2 THR A 47 5.908 0.447 8.870 1.00 0.00 C ATOM 0 H THR A 47 3.430 1.304 5.746 1.00 0.00 H new ATOM 0 HA THR A 47 5.471 2.694 7.339 1.00 0.00 H new ATOM 0 HB THR A 47 4.576 -0.197 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.871 1.690 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.583 -0.306 9.588 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.785 0.083 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.161 1.367 9.398 1.00 0.00 H new ATOM 803 N PHE A 48 7.468 1.816 6.042 1.00 0.00 N ATOM 804 CA PHE A 48 8.649 1.337 5.314 1.00 0.00 C ATOM 805 C PHE A 48 9.298 0.190 6.091 1.00 0.00 C ATOM 806 O PHE A 48 8.974 -0.023 7.266 1.00 0.00 O ATOM 807 CB PHE A 48 9.640 2.498 5.075 1.00 0.00 C ATOM 808 CG PHE A 48 9.007 3.684 4.343 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.572 3.556 3.027 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.822 4.911 4.980 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.981 4.615 2.373 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.225 5.972 4.325 1.00 0.00 C ATOM 813 CZ PHE A 48 7.805 5.821 3.018 1.00 0.00 C ATOM 0 H PHE A 48 7.652 2.615 6.648 1.00 0.00 H new ATOM 0 HA PHE A 48 8.349 0.959 4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.032 2.837 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.488 2.131 4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.699 2.615 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.150 5.034 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.654 4.500 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.088 6.915 4.833 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.339 6.647 2.501 1.00 0.00 H new ATOM 823 N THR A 49 10.183 -0.566 5.430 1.00 0.00 N ATOM 824 CA THR A 49 10.871 -1.708 6.054 1.00 0.00 C ATOM 825 C THR A 49 11.861 -1.204 7.145 1.00 0.00 C ATOM 826 O THR A 49 12.521 -0.172 6.941 1.00 0.00 O ATOM 827 CB THR A 49 11.564 -2.608 4.967 1.00 0.00 C ATOM 828 OG1 THR A 49 12.142 -3.785 5.555 1.00 0.00 O ATOM 829 CG2 THR A 49 12.641 -1.864 4.184 1.00 0.00 C ATOM 0 H THR A 49 10.442 -0.407 4.456 1.00 0.00 H new ATOM 0 HA THR A 49 10.138 -2.342 6.553 1.00 0.00 H new ATOM 0 HB THR A 49 10.774 -2.893 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.564 -4.326 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.085 -2.535 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.196 -1.010 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.414 -1.515 4.869 1.00 0.00 H new ATOM 960 N TYR A 59 7.688 7.941 8.209 1.00 0.00 N ATOM 961 CA TYR A 59 6.503 7.240 7.697 1.00 0.00 C ATOM 962 C TYR A 59 5.610 8.229 6.934 1.00 0.00 C ATOM 963 O TYR A 59 5.629 9.441 7.212 1.00 0.00 O ATOM 964 CB TYR A 59 5.718 6.538 8.828 1.00 0.00 C ATOM 965 CG TYR A 59 5.141 7.444 9.932 1.00 0.00 C ATOM 966 CD1 TYR A 59 5.967 8.013 10.904 1.00 0.00 C ATOM 967 CD2 TYR A 59 3.773 7.712 10.016 1.00 0.00 C ATOM 968 CE1 TYR A 59 5.453 8.804 11.909 1.00 0.00 C ATOM 969 CE2 TYR A 59 3.257 8.500 11.027 1.00 0.00 C ATOM 970 CZ TYR A 59 4.104 9.047 11.966 1.00 0.00 C ATOM 971 OH TYR A 59 3.594 9.833 12.973 1.00 0.00 O ATOM 0 HA TYR A 59 6.834 6.458 7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.895 5.983 8.378 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.377 5.807 9.297 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.031 7.829 10.867 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.105 7.295 9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.111 9.232 12.651 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.195 8.686 11.081 1.00 0.00 H new ATOM 0 HH TYR A 59 2.622 9.908 12.870 1.00 0.00 H new ATOM 981 N VAL A 60 4.830 7.705 5.972 1.00 0.00 N ATOM 982 CA VAL A 60 3.868 8.502 5.183 1.00 0.00 C ATOM 983 C VAL A 60 2.486 7.820 5.205 1.00 0.00 C ATOM 984 O VAL A 60 2.324 6.757 5.815 1.00 0.00 O ATOM 985 CB VAL A 60 4.370 8.732 3.701 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.658 9.578 3.666 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.578 7.405 2.958 1.00 0.00 C ATOM 0 H VAL A 60 4.847 6.717 5.718 1.00 0.00 H new ATOM 0 HA VAL A 60 3.783 9.487 5.641 1.00 0.00 H new ATOM 0 HB VAL A 60 3.586 9.285 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.975 9.716 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.467 10.550 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.444 9.066 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.923 7.606 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.323 6.807 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.636 6.858 2.919 1.00 0.00 H new ATOM 997 N TRP A 61 1.492 8.444 4.548 1.00 0.00 N ATOM 998 CA TRP A 61 0.106 7.927 4.504 1.00 0.00 C ATOM 999 C TRP A 61 -0.635 8.499 3.291 1.00 0.00 C ATOM 1000 O TRP A 61 -0.234 9.524 2.746 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.671 8.288 5.805 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.908 9.776 5.997 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.043 10.729 6.211 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.169 10.470 5.980 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.540 11.961 6.334 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.897 11.832 6.195 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.497 10.068 5.804 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.901 12.796 6.245 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.496 11.024 5.851 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.194 12.375 6.073 1.00 0.00 C ATOM 0 H TRP A 61 1.622 9.316 4.035 1.00 0.00 H new ATOM 0 HA TRP A 61 0.158 6.841 4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.634 7.777 5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.118 7.906 6.663 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.104 10.539 6.274 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.043 12.836 6.502 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.738 9.029 5.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.669 13.837 6.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.525 10.725 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.996 13.098 6.109 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.743 7.853 2.914 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.623 8.321 1.831 1.00 0.00 C ATOM 1023 C PHE A 62 -4.076 7.973 2.168 1.00 0.00 C ATOM 1024 O PHE A 62 -4.331 7.020 2.907 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.204 7.700 0.465 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.253 6.169 0.396 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.180 5.399 0.837 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.370 5.505 -0.110 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.220 4.019 0.777 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.408 4.127 -0.169 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.332 3.384 0.274 1.00 0.00 C ATOM 0 H PHE A 62 -2.059 6.987 3.351 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.529 9.403 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.853 8.103 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.190 8.025 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.302 5.888 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.217 6.077 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.378 3.439 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.281 3.628 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.363 2.306 0.226 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.024 8.750 1.625 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.470 8.496 1.808 1.00 0.00 C ATOM 1043 C ASN A 63 -6.957 7.390 0.847 1.00 0.00 C ATOM 1044 O ASN A 63 -6.372 7.180 -0.224 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.296 9.796 1.584 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.237 10.365 0.149 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.235 10.225 -0.548 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.310 11.013 -0.294 1.00 0.00 N ATOM 0 H ASN A 63 -4.818 9.567 1.050 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.621 8.161 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.337 9.596 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.940 10.559 2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.315 11.409 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.128 11.114 0.306 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.020 6.675 1.249 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.704 5.689 0.389 1.00 0.00 C ATOM 1057 C ILE A 64 -10.202 6.018 0.326 1.00 0.00 C ATOM 1058 O ILE A 64 -10.782 6.500 1.311 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.504 4.203 0.883 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.955 4.033 2.373 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.041 3.745 0.678 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.891 2.609 2.901 1.00 0.00 C ATOM 0 H ILE A 64 -8.431 6.762 2.178 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.256 5.758 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.141 3.559 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.329 4.667 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.978 4.396 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.929 2.718 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.788 3.799 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.374 4.395 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.222 2.591 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.540 1.969 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.866 2.244 2.840 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.806 5.784 -0.846 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.244 5.947 -1.026 1.00 0.00 C ATOM 1076 C GLY A 65 -13.008 4.778 -0.426 1.00 0.00 C ATOM 1077 O GLY A 65 -13.780 4.945 0.527 1.00 0.00 O ATOM 0 H GLY A 65 -10.313 5.480 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.569 6.876 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.473 6.028 -2.088 1.00 0.00 H new ATOM 1081 N SER A 66 -12.755 3.576 -0.964 1.00 0.00 N ATOM 1082 CA SER A 66 -13.343 2.321 -0.470 1.00 0.00 C ATOM 1083 C SER A 66 -12.218 1.311 -0.207 1.00 0.00 C ATOM 1084 O SER A 66 -11.327 1.149 -1.037 1.00 0.00 O ATOM 1085 CB SER A 66 -14.346 1.756 -1.494 1.00 0.00 C ATOM 1086 OG SER A 66 -15.370 2.697 -1.787 1.00 0.00 O ATOM 0 H SER A 66 -12.132 3.446 -1.761 1.00 0.00 H new ATOM 0 HA SER A 66 -13.882 2.513 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.821 1.489 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.791 0.841 -1.104 1.00 0.00 H new ATOM 0 HG SER A 66 -15.991 2.312 -2.440 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.281 0.650 0.962 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.333 -0.415 1.374 1.00 0.00 C ATOM 1094 C VAL A 67 -11.313 -1.573 0.364 1.00 0.00 C ATOM 1095 O VAL A 67 -10.248 -2.108 0.042 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.706 -0.972 2.799 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.761 -2.117 3.247 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.712 0.171 3.826 1.00 0.00 C ATOM 0 H VAL A 67 -13.000 0.839 1.661 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.340 0.034 1.409 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.707 -1.399 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.058 -2.468 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.824 -2.940 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.736 -1.749 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.971 -0.224 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.723 0.628 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.446 0.921 3.531 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.512 -1.928 -0.130 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.698 -2.994 -1.130 1.00 0.00 C ATOM 1110 C ASP A 68 -12.013 -2.621 -2.451 1.00 0.00 C ATOM 1111 O ASP A 68 -11.372 -3.461 -3.071 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.214 -3.281 -1.334 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.510 -4.365 -2.389 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.341 -5.576 -2.096 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.879 -4.013 -3.531 1.00 0.00 O ATOM 0 H ASP A 68 -13.384 -1.481 0.155 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.229 -3.907 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.647 -3.588 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.712 -2.357 -1.628 1.00 0.00 H new ATOM 1120 N THR A 69 -12.117 -1.345 -2.854 1.00 0.00 N ATOM 1121 CA THR A 69 -11.445 -0.856 -4.065 1.00 0.00 C ATOM 1122 C THR A 69 -9.912 -0.857 -3.866 1.00 0.00 C ATOM 1123 O THR A 69 -9.182 -1.321 -4.736 1.00 0.00 O ATOM 1124 CB THR A 69 -11.948 0.567 -4.463 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.385 0.584 -4.471 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.441 1.005 -5.849 1.00 0.00 C ATOM 0 H THR A 69 -12.659 -0.636 -2.360 1.00 0.00 H new ATOM 0 HA THR A 69 -11.693 -1.533 -4.883 1.00 0.00 H new ATOM 0 HB THR A 69 -11.553 1.265 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.700 1.478 -4.719 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.820 2.001 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.351 1.022 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.793 0.302 -6.604 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.454 -0.359 -2.692 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.029 -0.350 -2.283 1.00 0.00 C ATOM 1136 C PHE A 70 -7.368 -1.734 -2.420 1.00 0.00 C ATOM 1137 O PHE A 70 -6.314 -1.855 -3.049 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.915 0.174 -0.811 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.567 -0.109 -0.115 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.402 0.545 -0.509 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.477 -1.054 0.912 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.194 0.264 0.098 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.267 -1.330 1.520 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.126 -0.671 1.110 1.00 0.00 C ATOM 0 H PHE A 70 -10.073 0.053 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.491 0.318 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.087 1.250 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.712 -0.276 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.444 1.281 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.366 -1.576 1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.299 0.778 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.215 -2.060 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.179 -0.887 1.582 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.990 -2.755 -1.819 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.416 -4.108 -1.760 1.00 0.00 C ATOM 1156 C GLU A 71 -7.452 -4.779 -3.145 1.00 0.00 C ATOM 1157 O GLU A 71 -6.521 -5.500 -3.502 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.147 -4.975 -0.701 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.635 -5.256 -1.017 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.335 -6.163 -0.001 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.992 -7.365 0.067 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.236 -5.694 0.733 1.00 0.00 O ATOM 0 H GLU A 71 -8.898 -2.670 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.373 -4.020 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.623 -5.926 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.082 -4.476 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.169 -4.307 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.705 -5.714 -2.004 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.520 -4.514 -3.926 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.656 -5.049 -5.292 1.00 0.00 C ATOM 1171 C ARG A 72 -7.594 -4.438 -6.220 1.00 0.00 C ATOM 1172 O ARG A 72 -7.021 -5.143 -7.060 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.082 -4.817 -5.871 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.201 -5.671 -5.215 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.590 -5.463 -5.872 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.644 -6.221 -5.148 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.642 -6.935 -5.712 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -14.756 -7.025 -7.039 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -15.519 -7.564 -4.932 1.00 0.00 N ATOM 0 H ARG A 72 -9.302 -3.930 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.499 -6.126 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.337 -3.763 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.063 -5.029 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.930 -6.725 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.266 -5.422 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.839 -4.402 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.555 -5.786 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.610 -6.200 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.084 -6.551 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.515 -7.568 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.434 -7.504 -3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.276 -8.106 -5.349 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.324 -3.128 -6.053 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.289 -2.417 -6.820 1.00 0.00 C ATOM 1195 C ASN A 73 -4.907 -2.940 -6.448 1.00 0.00 C ATOM 1196 O ASN A 73 -4.158 -3.357 -7.322 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.362 -0.881 -6.577 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.629 -0.233 -7.142 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.183 -0.689 -8.135 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.092 0.830 -6.511 1.00 0.00 N ATOM 0 H ASN A 73 -7.817 -2.537 -5.384 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.469 -2.601 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.311 -0.688 -5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.490 -0.408 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.934 1.296 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.607 1.185 -5.687 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.618 -2.952 -5.135 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.326 -3.377 -4.577 1.00 0.00 C ATOM 1209 C LEU A 74 -2.934 -4.778 -5.075 1.00 0.00 C ATOM 1210 O LEU A 74 -1.874 -4.946 -5.670 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.387 -3.359 -3.022 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.064 -3.731 -2.280 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -0.943 -2.700 -2.546 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.310 -3.920 -0.769 1.00 0.00 C ATOM 0 H LEU A 74 -5.287 -2.662 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.564 -2.676 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.692 -2.363 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.167 -4.050 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.721 -4.683 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.041 -2.997 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.734 -2.658 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.263 -1.717 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.372 -4.178 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.699 -2.994 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.033 -4.721 -0.615 1.00 0.00 H new ATOM 1226 N GLU A 75 -3.831 -5.749 -4.863 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.594 -7.156 -5.222 1.00 0.00 C ATOM 1228 C GLU A 75 -3.382 -7.357 -6.737 1.00 0.00 C ATOM 1229 O GLU A 75 -2.402 -7.991 -7.129 1.00 0.00 O ATOM 1230 CB GLU A 75 -4.756 -8.043 -4.720 1.00 0.00 C ATOM 1231 CG GLU A 75 -4.798 -8.203 -3.189 1.00 0.00 C ATOM 1232 CD GLU A 75 -3.512 -8.830 -2.631 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -3.203 -9.983 -3.020 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -2.798 -8.189 -1.825 1.00 0.00 O ATOM 0 H GLU A 75 -4.743 -5.583 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.669 -7.457 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.700 -7.615 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.672 -9.029 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.953 -7.227 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.651 -8.824 -2.914 1.00 0.00 H new ATOM 1241 N THR A 76 -4.278 -6.786 -7.566 1.00 0.00 N ATOM 1242 CA THR A 76 -4.217 -6.942 -9.035 1.00 0.00 C ATOM 1243 C THR A 76 -2.928 -6.286 -9.587 1.00 0.00 C ATOM 1244 O THR A 76 -2.159 -6.921 -10.308 1.00 0.00 O ATOM 1245 CB THR A 76 -5.496 -6.335 -9.703 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.661 -6.953 -9.129 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.531 -6.535 -11.224 1.00 0.00 C ATOM 0 H THR A 76 -5.056 -6.210 -7.243 1.00 0.00 H new ATOM 0 HA THR A 76 -4.187 -8.004 -9.279 1.00 0.00 H new ATOM 0 HB THR A 76 -5.478 -5.261 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.953 -6.438 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.441 -6.093 -11.628 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.663 -6.054 -11.674 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.514 -7.601 -11.451 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.704 -5.025 -9.171 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.475 -4.239 -9.444 1.00 0.00 C ATOM 1257 C LEU A 77 -0.192 -5.013 -9.094 1.00 0.00 C ATOM 1258 O LEU A 77 0.740 -5.053 -9.893 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.538 -2.914 -8.640 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.335 -1.937 -8.747 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.075 -1.488 -10.200 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.564 -0.724 -7.825 1.00 0.00 C ATOM 0 H LEU A 77 -3.388 -4.506 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.435 -4.034 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.433 -2.376 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.669 -3.168 -7.588 1.00 0.00 H new ATOM 0 HG LEU A 77 0.559 -2.469 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.775 -0.806 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.142 -2.360 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.958 -0.980 -10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.283 -0.042 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.476 -0.207 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.661 -1.064 -6.794 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.176 -5.644 -7.904 1.00 0.00 N ATOM 1275 CA GLN A 78 0.968 -6.458 -7.444 1.00 0.00 C ATOM 1276 C GLN A 78 1.207 -7.650 -8.398 1.00 0.00 C ATOM 1277 O GLN A 78 2.331 -7.871 -8.855 1.00 0.00 O ATOM 1278 CB GLN A 78 0.742 -6.939 -5.974 1.00 0.00 C ATOM 1279 CG GLN A 78 0.993 -5.852 -4.892 1.00 0.00 C ATOM 1280 CD GLN A 78 0.655 -6.292 -3.455 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.333 -5.904 -2.499 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.431 -7.041 -3.277 1.00 0.00 N ATOM 0 H GLN A 78 -0.948 -5.605 -7.239 1.00 0.00 H new ATOM 0 HA GLN A 78 1.865 -5.838 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.282 -7.300 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.399 -7.787 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.041 -5.554 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.402 -4.970 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.975 -7.350 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.719 -7.306 -2.335 1.00 0.00 H new ATOM 1291 N GLN A 79 0.116 -8.352 -8.748 1.00 0.00 N ATOM 1292 CA GLN A 79 0.161 -9.530 -9.648 1.00 0.00 C ATOM 1293 C GLN A 79 0.665 -9.135 -11.056 1.00 0.00 C ATOM 1294 O GLN A 79 1.371 -9.912 -11.709 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.236 -10.205 -9.751 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.776 -10.744 -8.410 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.222 -11.246 -8.487 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.657 -11.780 -9.500 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.991 -11.043 -7.428 1.00 0.00 N ATOM 0 H GLN A 79 -0.822 -8.124 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 79 0.862 -10.246 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.947 -9.484 -10.153 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.179 -11.027 -10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.135 -11.558 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.714 -9.956 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.606 -10.596 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.969 -11.333 -7.444 1.00 0.00 H new ATOM 1308 N GLU A 80 0.306 -7.923 -11.495 1.00 0.00 N ATOM 1309 CA GLU A 80 0.708 -7.372 -12.800 1.00 0.00 C ATOM 1310 C GLU A 80 2.173 -6.908 -12.794 1.00 0.00 C ATOM 1311 O GLU A 80 2.889 -7.103 -13.784 1.00 0.00 O ATOM 1312 CB GLU A 80 -0.237 -6.203 -13.185 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.698 -6.637 -13.434 1.00 0.00 C ATOM 1314 CD GLU A 80 -2.643 -5.457 -13.710 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -3.010 -4.747 -12.753 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -3.004 -5.225 -14.884 1.00 0.00 O ATOM 0 H GLU A 80 -0.278 -7.288 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 80 0.625 -8.163 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.220 -5.458 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.146 -5.719 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.727 -7.323 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.059 -7.188 -12.566 1.00 0.00 H new ATOM 1323 N LEU A 81 2.618 -6.294 -11.683 1.00 0.00 N ATOM 1324 CA LEU A 81 4.020 -5.845 -11.527 1.00 0.00 C ATOM 1325 C LEU A 81 4.966 -7.049 -11.321 1.00 0.00 C ATOM 1326 O LEU A 81 6.153 -6.960 -11.631 1.00 0.00 O ATOM 1327 CB LEU A 81 4.158 -4.854 -10.320 1.00 0.00 C ATOM 1328 CG LEU A 81 3.451 -3.461 -10.460 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.643 -2.596 -9.188 1.00 0.00 C ATOM 1330 CD2 LEU A 81 3.935 -2.713 -11.723 1.00 0.00 C ATOM 0 H LEU A 81 2.027 -6.095 -10.876 1.00 0.00 H new ATOM 0 HA LEU A 81 4.303 -5.327 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.764 -5.346 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.219 -4.679 -10.144 1.00 0.00 H new ATOM 0 HG LEU A 81 2.383 -3.646 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.140 -1.638 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.217 -3.114 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.707 -2.427 -9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.427 -1.751 -11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.011 -2.552 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.708 -3.308 -12.608 1.00 0.00 H new ATOM 1342 N GLY A 82 4.410 -8.191 -10.877 1.00 0.00 N ATOM 1343 CA GLY A 82 5.212 -9.367 -10.504 1.00 0.00 C ATOM 1344 C GLY A 82 5.407 -9.503 -8.994 1.00 0.00 C ATOM 1345 O GLY A 82 5.975 -10.490 -8.533 1.00 0.00 O ATOM 0 H GLY A 82 3.404 -8.323 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.727 -10.266 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.187 -9.302 -10.986 1.00 0.00 H new ATOM 1349 N ILE A 83 4.938 -8.496 -8.232 1.00 0.00 N ATOM 1350 CA ILE A 83 5.006 -8.462 -6.761 1.00 0.00 C ATOM 1351 C ILE A 83 4.038 -9.512 -6.162 1.00 0.00 C ATOM 1352 O ILE A 83 2.830 -9.465 -6.420 1.00 0.00 O ATOM 1353 CB ILE A 83 4.632 -7.017 -6.240 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.670 -5.958 -6.737 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.468 -6.971 -4.702 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.355 -4.521 -6.350 1.00 0.00 C ATOM 0 H ILE A 83 4.493 -7.669 -8.630 1.00 0.00 H new ATOM 0 HA ILE A 83 6.022 -8.700 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 83 3.660 -6.764 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.651 -6.219 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.738 -6.020 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.211 -5.958 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.674 -7.654 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.403 -7.269 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.130 -3.861 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.391 -4.234 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.318 -4.436 -5.264 1.00 0.00 H new ATOM 1368 N GLU A 84 4.582 -10.454 -5.365 1.00 0.00 N ATOM 1369 CA GLU A 84 3.791 -11.525 -4.728 1.00 0.00 C ATOM 1370 C GLU A 84 4.562 -12.165 -3.567 1.00 0.00 C ATOM 1371 O GLU A 84 5.779 -11.990 -3.445 1.00 0.00 O ATOM 1372 CB GLU A 84 3.385 -12.616 -5.769 1.00 0.00 C ATOM 1373 CG GLU A 84 4.567 -13.350 -6.449 1.00 0.00 C ATOM 1374 CD GLU A 84 4.119 -14.523 -7.344 1.00 0.00 C ATOM 1375 OE1 GLU A 84 3.715 -14.280 -8.500 1.00 0.00 O ATOM 1376 OE2 GLU A 84 4.142 -15.685 -6.885 1.00 0.00 O ATOM 0 H GLU A 84 5.577 -10.493 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 84 2.884 -11.070 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.757 -13.355 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.775 -12.149 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.131 -12.637 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.244 -13.725 -5.681 1.00 0.00 H new ATOM 1383 N GLY A 85 3.815 -12.876 -2.703 1.00 0.00 N ATOM 1384 CA GLY A 85 4.381 -13.610 -1.579 1.00 0.00 C ATOM 1385 C GLY A 85 5.095 -12.723 -0.568 1.00 0.00 C ATOM 1386 O GLY A 85 4.459 -11.923 0.128 1.00 0.00 O ATOM 0 H GLY A 85 2.800 -12.952 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.584 -14.154 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.083 -14.353 -1.958 1.00 0.00 H new ATOM 1390 N GLU A 86 6.430 -12.866 -0.515 1.00 0.00 N ATOM 1391 CA GLU A 86 7.303 -12.107 0.400 1.00 0.00 C ATOM 1392 C GLU A 86 7.475 -10.651 -0.084 1.00 0.00 C ATOM 1393 O GLU A 86 7.765 -9.754 0.709 1.00 0.00 O ATOM 1394 CB GLU A 86 8.673 -12.830 0.514 1.00 0.00 C ATOM 1395 CG GLU A 86 8.584 -14.284 1.036 1.00 0.00 C ATOM 1396 CD GLU A 86 9.903 -15.071 0.905 1.00 0.00 C ATOM 1397 OE1 GLU A 86 10.163 -15.653 -0.174 1.00 0.00 O ATOM 1398 OE2 GLU A 86 10.699 -15.099 1.876 1.00 0.00 O ATOM 0 H GLU A 86 6.940 -13.518 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 86 6.842 -12.065 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.150 -12.837 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.319 -12.257 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.284 -14.267 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.802 -14.810 0.489 1.00 0.00 H new ATOM 1405 N ASN A 87 7.278 -10.430 -1.393 1.00 0.00 N ATOM 1406 CA ASN A 87 7.345 -9.086 -1.999 1.00 0.00 C ATOM 1407 C ASN A 87 5.986 -8.386 -1.820 1.00 0.00 C ATOM 1408 O ASN A 87 5.924 -7.154 -1.751 1.00 0.00 O ATOM 1409 CB ASN A 87 7.729 -9.220 -3.503 1.00 0.00 C ATOM 1410 CG ASN A 87 8.281 -7.943 -4.184 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.209 -8.030 -4.979 1.00 0.00 O ATOM 1412 ND2 ASN A 87 7.700 -6.775 -3.956 1.00 0.00 N ATOM 0 H ASN A 87 7.069 -11.172 -2.061 1.00 0.00 H new ATOM 0 HA ASN A 87 8.107 -8.480 -1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.476 -10.009 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.848 -9.548 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.025 -5.940 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.928 -6.710 -3.293 1.00 0.00 H new ATOM 1419 N ARG A 88 4.901 -9.182 -1.711 1.00 0.00 N ATOM 1420 CA ARG A 88 3.549 -8.647 -1.446 1.00 0.00 C ATOM 1421 C ARG A 88 3.513 -7.965 -0.078 1.00 0.00 C ATOM 1422 O ARG A 88 3.845 -8.594 0.935 1.00 0.00 O ATOM 1423 CB ARG A 88 2.470 -9.756 -1.517 1.00 0.00 C ATOM 1424 CG ARG A 88 1.085 -9.356 -0.937 1.00 0.00 C ATOM 1425 CD ARG A 88 0.012 -10.420 -1.201 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.346 -10.472 -2.632 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.074 -11.470 -3.491 1.00 0.00 C ATOM 1428 NH1 ARG A 88 0.567 -12.570 -3.084 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -0.441 -11.333 -4.768 1.00 0.00 N ATOM 0 H ARG A 88 4.935 -10.197 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 88 3.324 -7.915 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.341 -10.051 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.834 -10.632 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.177 -9.195 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.770 -8.409 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.376 -11.396 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.876 -10.200 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.851 -9.669 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.857 -12.661 -2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.766 -13.319 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.917 -10.484 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.245 -12.077 -5.438 1.00 0.00 H new ATOM 1443 N VAL A 89 3.122 -6.686 -0.065 1.00 0.00 N ATOM 1444 CA VAL A 89 3.076 -5.876 1.152 1.00 0.00 C ATOM 1445 C VAL A 89 1.887 -6.321 2.050 1.00 0.00 C ATOM 1446 O VAL A 89 0.739 -6.292 1.597 1.00 0.00 O ATOM 1447 CB VAL A 89 2.969 -4.344 0.802 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.860 -3.484 2.073 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.173 -3.900 -0.066 1.00 0.00 C ATOM 0 H VAL A 89 2.828 -6.184 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 89 4.003 -6.030 1.704 1.00 0.00 H new ATOM 0 HB VAL A 89 2.056 -4.194 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.788 -2.432 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.971 -3.773 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.744 -3.636 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.082 -2.839 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.100 -4.074 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.185 -4.474 -0.992 1.00 0.00 H new ATOM 1459 N PRO A 90 2.158 -6.787 3.317 1.00 0.00 N ATOM 1460 CA PRO A 90 1.103 -7.160 4.295 1.00 0.00 C ATOM 1461 C PRO A 90 0.180 -5.983 4.642 1.00 0.00 C ATOM 1462 O PRO A 90 0.638 -4.855 4.764 1.00 0.00 O ATOM 1463 CB PRO A 90 1.907 -7.633 5.538 1.00 0.00 C ATOM 1464 CG PRO A 90 3.262 -7.987 5.009 1.00 0.00 C ATOM 1465 CD PRO A 90 3.511 -7.022 3.879 1.00 0.00 C ATOM 0 HA PRO A 90 0.432 -7.924 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.970 -6.847 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.432 -8.491 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.024 -7.892 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.291 -9.019 4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.964 -6.096 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.187 -7.442 3.134 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.122 -6.258 4.792 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.130 -5.223 5.079 1.00 0.00 C ATOM 1475 C VAL A 91 -2.676 -5.416 6.505 1.00 0.00 C ATOM 1476 O VAL A 91 -3.315 -6.429 6.799 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.279 -5.257 4.009 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.337 -4.175 4.271 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.705 -5.129 2.579 1.00 0.00 C ATOM 0 H VAL A 91 -1.508 -7.199 4.719 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.664 -4.239 5.021 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.774 -6.224 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.114 -4.233 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.781 -4.331 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.868 -3.192 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.520 -5.155 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.168 -4.185 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.022 -5.956 2.386 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.406 -4.431 7.379 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.720 -4.490 8.813 1.00 0.00 C ATOM 1491 C VAL A 92 -3.871 -3.520 9.114 1.00 0.00 C ATOM 1492 O VAL A 92 -3.654 -2.311 9.229 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.450 -4.121 9.677 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.728 -4.200 11.198 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.248 -4.999 9.282 1.00 0.00 C ATOM 0 H VAL A 92 -1.956 -3.558 7.102 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.020 -5.505 9.074 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.203 -3.082 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.824 -3.937 11.747 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.526 -3.505 11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.030 -5.214 11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.616 -4.728 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.494 -6.048 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.014 -4.843 8.229 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.094 -4.048 9.192 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.282 -3.261 9.542 1.00 0.00 C ATOM 1507 C TYR A 93 -6.255 -2.883 11.027 1.00 0.00 C ATOM 1508 O TYR A 93 -6.293 -3.754 11.901 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.568 -4.051 9.188 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.759 -4.244 7.674 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.357 -3.259 6.902 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.291 -5.388 7.017 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.495 -3.403 5.539 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.424 -5.528 5.649 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.024 -4.529 4.916 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.152 -4.657 3.549 1.00 0.00 O ATOM 0 H TYR A 93 -5.291 -5.033 9.015 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.279 -2.338 8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.532 -5.027 9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.433 -3.526 9.593 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.722 -2.361 7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.819 -6.173 7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.975 -2.627 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.059 -6.417 5.157 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.767 -5.512 3.263 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.148 -1.576 11.293 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.140 -1.012 12.649 1.00 0.00 C ATOM 1528 C ILE A 94 -7.486 -0.292 12.876 1.00 0.00 C ATOM 1529 O ILE A 94 -7.893 0.526 12.056 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.923 -0.017 12.821 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.566 -0.757 12.539 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.922 0.656 14.216 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.316 0.098 12.682 1.00 0.00 C ATOM 0 H ILE A 94 -6.063 -0.870 10.562 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.020 -1.802 13.390 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.037 0.781 12.087 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.486 -1.605 13.219 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.595 -1.162 11.527 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.070 1.332 14.293 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.845 1.220 14.349 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.850 -0.109 14.989 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.435 -0.507 12.466 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.364 0.932 11.982 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.252 0.482 13.700 1.00 0.00 H new